USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 468 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 44 THR OG1 : rot 180:sc= -0.927 USER MOD Set 1.2: A 58 THR OG1 : rot -69:sc= 0.0247 USER MOD Single : A 1 GLY N :NH3+ -116:sc= 0.107 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 31:sc= 0.707 USER MOD Single : A 6 SER OG : rot 28:sc= 0.766 USER MOD Single : A 9 HIS :FLIP no HD1:sc= -0.0584 F(o=-0.8,f=-0.058) USER MOD Single : A 10 CYS SG : rot 90:sc= -2.3 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= -0.151 USER MOD Single : A 20 SER OG : rot 180:sc= -0.155 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl 178:sc= -0.899 (180deg=-0.986) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 35 MET CE :methyl -152:sc= -0.342 (180deg=-1.32) USER MOD Single : A 39 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0271) USER MOD Single : A 49 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.29) USER MOD Single : A 55 TYR OH : rot 6:sc= 0.173 USER MOD Single : A 59 SER OG : rot 180:sc= -0.358 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 170:sc= -0.0984 USER MOD Single : A 65 SER OG : rot -55:sc= 0.611 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 66:sc= 0.253 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.974 3.412 14.041 1.00 0.00 N ATOM 2 CA GLY A 1 -21.933 2.632 12.818 1.00 0.00 C ATOM 3 C GLY A 1 -20.593 1.955 12.607 1.00 0.00 C ATOM 4 O GLY A 1 -19.703 2.047 13.453 1.00 0.00 O ATOM 0 H1 GLY A 1 -22.677 3.004 14.689 1.00 0.00 H new ATOM 0 H2 GLY A 1 -21.037 3.398 14.493 1.00 0.00 H new ATOM 0 H3 GLY A 1 -22.237 4.393 13.818 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.718 1.876 12.846 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -22.146 3.282 11.969 1.00 0.00 H new ATOM 8 N SER A 2 -20.449 1.272 11.476 1.00 0.00 N ATOM 9 CA SER A 2 -19.209 0.572 11.159 1.00 0.00 C ATOM 10 C SER A 2 -18.056 1.557 10.995 1.00 0.00 C ATOM 11 O SER A 2 -18.267 2.765 10.886 1.00 0.00 O ATOM 12 CB SER A 2 -19.377 -0.251 9.880 1.00 0.00 C ATOM 13 OG SER A 2 -19.414 0.585 8.737 1.00 0.00 O ATOM 0 H SER A 2 -21.175 1.188 10.764 1.00 0.00 H new ATOM 0 HA SER A 2 -18.977 -0.098 11.987 1.00 0.00 H new ATOM 0 HB2 SER A 2 -18.554 -0.960 9.789 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.296 -0.835 9.937 1.00 0.00 H new ATOM 0 HG SER A 2 -19.520 0.035 7.933 1.00 0.00 H new ATOM 19 N SER A 3 -16.835 1.032 10.980 1.00 0.00 N ATOM 20 CA SER A 3 -15.646 1.863 10.834 1.00 0.00 C ATOM 21 C SER A 3 -14.893 1.514 9.555 1.00 0.00 C ATOM 22 O SER A 3 -14.067 0.603 9.536 1.00 0.00 O ATOM 23 CB SER A 3 -14.726 1.692 12.045 1.00 0.00 C ATOM 24 OG SER A 3 -13.441 2.231 11.789 1.00 0.00 O ATOM 0 H SER A 3 -16.643 0.034 11.067 1.00 0.00 H new ATOM 0 HA SER A 3 -15.965 2.903 10.774 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.165 2.186 12.912 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.637 0.634 12.292 1.00 0.00 H new ATOM 0 HG SER A 3 -12.873 2.111 12.578 1.00 0.00 H new ATOM 30 N GLY A 4 -15.184 2.248 8.485 1.00 0.00 N ATOM 31 CA GLY A 4 -14.527 2.001 7.215 1.00 0.00 C ATOM 32 C GLY A 4 -14.854 3.057 6.178 1.00 0.00 C ATOM 33 O GLY A 4 -15.487 4.066 6.488 1.00 0.00 O ATOM 0 H GLY A 4 -15.863 3.009 8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.448 1.968 7.368 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.826 1.022 6.839 1.00 0.00 H new ATOM 37 N SER A 5 -14.420 2.826 4.943 1.00 0.00 N ATOM 38 CA SER A 5 -14.666 3.769 3.857 1.00 0.00 C ATOM 39 C SER A 5 -14.552 3.078 2.502 1.00 0.00 C ATOM 40 O SER A 5 -13.482 2.602 2.124 1.00 0.00 O ATOM 41 CB SER A 5 -13.679 4.935 3.933 1.00 0.00 C ATOM 42 OG SER A 5 -14.138 5.935 4.826 1.00 0.00 O ATOM 0 H SER A 5 -13.896 1.995 4.669 1.00 0.00 H new ATOM 0 HA SER A 5 -15.680 4.154 3.965 1.00 0.00 H new ATOM 0 HB2 SER A 5 -12.705 4.570 4.260 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.542 5.365 2.941 1.00 0.00 H new ATOM 0 HG SER A 5 -14.667 5.519 5.538 1.00 0.00 H new ATOM 48 N SER A 6 -15.664 3.028 1.775 1.00 0.00 N ATOM 49 CA SER A 6 -15.691 2.392 0.463 1.00 0.00 C ATOM 50 C SER A 6 -14.909 3.215 -0.556 1.00 0.00 C ATOM 51 O SER A 6 -15.241 4.368 -0.826 1.00 0.00 O ATOM 52 CB SER A 6 -17.135 2.213 -0.010 1.00 0.00 C ATOM 53 OG SER A 6 -17.740 3.464 -0.286 1.00 0.00 O ATOM 0 H SER A 6 -16.557 3.420 2.072 1.00 0.00 H new ATOM 0 HA SER A 6 -15.220 1.413 0.551 1.00 0.00 H new ATOM 0 HB2 SER A 6 -17.153 1.591 -0.905 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.709 1.689 0.754 1.00 0.00 H new ATOM 0 HG SER A 6 -17.051 4.111 -0.543 1.00 0.00 H new ATOM 59 N GLY A 7 -13.865 2.613 -1.118 1.00 0.00 N ATOM 60 CA GLY A 7 -13.051 3.304 -2.101 1.00 0.00 C ATOM 61 C GLY A 7 -11.830 2.503 -2.508 1.00 0.00 C ATOM 62 O GLY A 7 -11.746 2.016 -3.635 1.00 0.00 O ATOM 0 H GLY A 7 -13.569 1.659 -0.910 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -13.654 3.515 -2.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -12.733 4.264 -1.695 1.00 0.00 H new ATOM 66 N GLY A 8 -10.879 2.366 -1.589 1.00 0.00 N ATOM 67 CA GLY A 8 -9.669 1.620 -1.878 1.00 0.00 C ATOM 68 C GLY A 8 -9.043 1.025 -0.632 1.00 0.00 C ATOM 69 O GLY A 8 -8.736 1.742 0.320 1.00 0.00 O ATOM 0 H GLY A 8 -10.925 2.759 -0.649 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.898 0.821 -2.583 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -8.948 2.277 -2.365 1.00 0.00 H new ATOM 73 N HIS A 9 -8.854 -0.291 -0.637 1.00 0.00 N ATOM 74 CA HIS A 9 -8.262 -0.983 0.502 1.00 0.00 C ATOM 75 C HIS A 9 -6.988 -1.714 0.091 1.00 0.00 C ATOM 76 O HIS A 9 -6.993 -2.510 -0.849 1.00 0.00 O ATOM 77 CB HIS A 9 -9.261 -1.973 1.101 1.00 0.00 C ATOM 78 CG HIS A 9 -10.310 -1.325 1.951 1.00 0.00 C ATOM 79 ND1 HIS A 9 -10.812 -0.068 1.933 1.00 0.00 N flip ATOM 80 CD2 HIS A 9 -10.968 -1.984 2.968 1.00 0.00 C flip ATOM 81 CE1 HIS A 9 -11.756 0.008 2.928 1.00 0.00 C flip ATOM 82 NE2 HIS A 9 -11.831 -1.162 3.537 1.00 0.00 N flip ATOM 0 H HIS A 9 -9.102 -0.899 -1.417 1.00 0.00 H new ATOM 0 HA HIS A 9 -8.006 -0.237 1.255 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -9.747 -2.520 0.293 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -8.720 -2.705 1.701 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -10.803 -3.012 3.255 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -12.342 0.882 3.173 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -12.450 -1.391 4.314 1.00 0.00 H new ATOM 91 N CYS A 10 -5.898 -1.439 0.799 1.00 0.00 N ATOM 92 CA CYS A 10 -4.616 -2.070 0.507 1.00 0.00 C ATOM 93 C CYS A 10 -3.802 -2.264 1.782 1.00 0.00 C ATOM 94 O CYS A 10 -3.916 -1.485 2.728 1.00 0.00 O ATOM 95 CB CYS A 10 -3.825 -1.225 -0.494 1.00 0.00 C ATOM 96 SG CYS A 10 -3.272 0.367 0.160 1.00 0.00 S ATOM 0 H CYS A 10 -5.877 -0.783 1.580 1.00 0.00 H new ATOM 0 HA CYS A 10 -4.812 -3.049 0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -2.955 -1.792 -0.824 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -4.444 -1.049 -1.374 1.00 0.00 H new ATOM 0 HG CYS A 10 -2.099 0.229 0.703 1.00 0.00 H new ATOM 102 N VAL A 11 -2.982 -3.310 1.801 1.00 0.00 N ATOM 103 CA VAL A 11 -2.150 -3.608 2.960 1.00 0.00 C ATOM 104 C VAL A 11 -0.707 -3.876 2.546 1.00 0.00 C ATOM 105 O VAL A 11 -0.452 -4.531 1.536 1.00 0.00 O ATOM 106 CB VAL A 11 -2.684 -4.826 3.737 1.00 0.00 C ATOM 107 CG1 VAL A 11 -4.048 -4.520 4.337 1.00 0.00 C ATOM 108 CG2 VAL A 11 -2.752 -6.046 2.832 1.00 0.00 C ATOM 0 H VAL A 11 -2.876 -3.965 1.026 1.00 0.00 H new ATOM 0 HA VAL A 11 -2.183 -2.731 3.607 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.996 -5.045 4.553 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.410 -5.392 4.882 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.964 -3.674 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.749 -4.274 3.540 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.131 -6.897 3.397 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -3.418 -5.841 1.994 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.755 -6.276 2.455 1.00 0.00 H new ATOM 118 N ALA A 12 0.234 -3.365 3.334 1.00 0.00 N ATOM 119 CA ALA A 12 1.651 -3.551 3.051 1.00 0.00 C ATOM 120 C ALA A 12 2.002 -5.032 2.957 1.00 0.00 C ATOM 121 O ALA A 12 1.676 -5.815 3.850 1.00 0.00 O ATOM 122 CB ALA A 12 2.496 -2.873 4.119 1.00 0.00 C ATOM 0 H ALA A 12 0.040 -2.819 4.173 1.00 0.00 H new ATOM 0 HA ALA A 12 1.867 -3.091 2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 12 3.552 -3.020 3.895 1.00 0.00 H new ATOM 0 HB2 ALA A 12 2.274 -1.806 4.136 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.268 -3.306 5.093 1.00 0.00 H new ATOM 128 N ILE A 13 2.668 -5.410 1.871 1.00 0.00 N ATOM 129 CA ILE A 13 3.063 -6.798 1.662 1.00 0.00 C ATOM 130 C ILE A 13 4.394 -7.099 2.344 1.00 0.00 C ATOM 131 O ILE A 13 4.552 -8.136 2.989 1.00 0.00 O ATOM 132 CB ILE A 13 3.181 -7.130 0.163 1.00 0.00 C ATOM 133 CG1 ILE A 13 1.942 -6.637 -0.589 1.00 0.00 C ATOM 134 CG2 ILE A 13 3.367 -8.627 -0.035 1.00 0.00 C ATOM 135 CD1 ILE A 13 2.077 -6.719 -2.094 1.00 0.00 C ATOM 0 H ILE A 13 2.945 -4.775 1.122 1.00 0.00 H new ATOM 0 HA ILE A 13 2.283 -7.418 2.103 1.00 0.00 H new ATOM 0 HB ILE A 13 4.055 -6.619 -0.240 1.00 0.00 H new ATOM 0 HG12 ILE A 13 1.079 -7.226 -0.277 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.742 -5.604 -0.306 1.00 0.00 H new ATOM 0 HG21 ILE A 13 3.449 -8.846 -1.100 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.275 -8.951 0.473 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.510 -9.158 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 13 1.163 -6.354 -2.562 1.00 0.00 H new ATOM 0 HD12 ILE A 13 2.919 -6.108 -2.418 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.246 -7.755 -2.388 1.00 0.00 H new ATOM 147 N TYR A 14 5.347 -6.185 2.198 1.00 0.00 N ATOM 148 CA TYR A 14 6.664 -6.353 2.799 1.00 0.00 C ATOM 149 C TYR A 14 7.105 -5.078 3.511 1.00 0.00 C ATOM 150 O TYR A 14 6.693 -3.976 3.147 1.00 0.00 O ATOM 151 CB TYR A 14 7.690 -6.736 1.731 1.00 0.00 C ATOM 152 CG TYR A 14 7.175 -7.744 0.730 1.00 0.00 C ATOM 153 CD1 TYR A 14 7.041 -9.085 1.071 1.00 0.00 C ATOM 154 CD2 TYR A 14 6.821 -7.357 -0.556 1.00 0.00 C ATOM 155 CE1 TYR A 14 6.571 -10.010 0.159 1.00 0.00 C ATOM 156 CE2 TYR A 14 6.349 -8.275 -1.474 1.00 0.00 C ATOM 157 CZ TYR A 14 6.226 -9.600 -1.112 1.00 0.00 C ATOM 158 OH TYR A 14 5.756 -10.518 -2.023 1.00 0.00 O ATOM 0 H TYR A 14 5.232 -5.321 1.669 1.00 0.00 H new ATOM 0 HA TYR A 14 6.600 -7.154 3.535 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.002 -5.837 1.200 1.00 0.00 H new ATOM 0 HB3 TYR A 14 8.576 -7.142 2.219 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.309 -9.409 2.066 1.00 0.00 H new ATOM 0 HD2 TYR A 14 6.916 -6.320 -0.843 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.474 -11.048 0.440 1.00 0.00 H new ATOM 0 HE2 TYR A 14 6.078 -7.957 -2.470 1.00 0.00 H new ATOM 0 HH TYR A 14 5.558 -10.066 -2.870 1.00 0.00 H new ATOM 168 N HIS A 15 7.947 -5.235 4.527 1.00 0.00 N ATOM 169 CA HIS A 15 8.446 -4.097 5.290 1.00 0.00 C ATOM 170 C HIS A 15 9.066 -3.053 4.366 1.00 0.00 C ATOM 171 O HIS A 15 10.050 -3.324 3.678 1.00 0.00 O ATOM 172 CB HIS A 15 9.477 -4.559 6.320 1.00 0.00 C ATOM 173 CG HIS A 15 9.576 -3.660 7.514 1.00 0.00 C ATOM 174 ND1 HIS A 15 10.702 -2.921 7.810 1.00 0.00 N ATOM 175 CD2 HIS A 15 8.679 -3.381 8.489 1.00 0.00 C ATOM 176 CE1 HIS A 15 10.494 -2.229 8.915 1.00 0.00 C ATOM 177 NE2 HIS A 15 9.274 -2.490 9.347 1.00 0.00 N ATOM 0 H HIS A 15 8.298 -6.140 4.841 1.00 0.00 H new ATOM 0 HA HIS A 15 7.603 -3.642 5.810 1.00 0.00 H new ATOM 0 HB2 HIS A 15 9.220 -5.565 6.653 1.00 0.00 H new ATOM 0 HB3 HIS A 15 10.454 -4.622 5.841 1.00 0.00 H new ATOM 0 HD2 HIS A 15 7.681 -3.784 8.576 1.00 0.00 H new ATOM 0 HE1 HIS A 15 11.202 -1.563 9.386 1.00 0.00 H new ATOM 0 HE2 HIS A 15 8.844 -2.094 10.183 1.00 0.00 H new ATOM 186 N PHE A 16 8.482 -1.859 4.354 1.00 0.00 N ATOM 187 CA PHE A 16 8.975 -0.775 3.513 1.00 0.00 C ATOM 188 C PHE A 16 9.179 0.498 4.330 1.00 0.00 C ATOM 189 O PHE A 16 8.216 1.150 4.731 1.00 0.00 O ATOM 190 CB PHE A 16 8.000 -0.507 2.365 1.00 0.00 C ATOM 191 CG PHE A 16 8.460 0.572 1.427 1.00 0.00 C ATOM 192 CD1 PHE A 16 9.243 0.264 0.327 1.00 0.00 C ATOM 193 CD2 PHE A 16 8.109 1.894 1.646 1.00 0.00 C ATOM 194 CE1 PHE A 16 9.667 1.254 -0.539 1.00 0.00 C ATOM 195 CE2 PHE A 16 8.530 2.889 0.784 1.00 0.00 C ATOM 196 CZ PHE A 16 9.311 2.569 -0.309 1.00 0.00 C ATOM 0 H PHE A 16 7.667 -1.618 4.917 1.00 0.00 H new ATOM 0 HA PHE A 16 9.937 -1.079 3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.853 -1.428 1.802 1.00 0.00 H new ATOM 0 HB3 PHE A 16 7.031 -0.228 2.779 1.00 0.00 H new ATOM 0 HD1 PHE A 16 9.526 -0.762 0.144 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.499 2.150 2.500 1.00 0.00 H new ATOM 0 HE1 PHE A 16 10.276 1.000 -1.394 1.00 0.00 H new ATOM 0 HE2 PHE A 16 8.248 3.916 0.965 1.00 0.00 H new ATOM 0 HZ PHE A 16 9.643 3.345 -0.983 1.00 0.00 H new ATOM 206 N GLU A 17 10.439 0.843 4.573 1.00 0.00 N ATOM 207 CA GLU A 17 10.769 2.037 5.343 1.00 0.00 C ATOM 208 C GLU A 17 10.926 3.248 4.428 1.00 0.00 C ATOM 209 O GLU A 17 11.643 3.198 3.430 1.00 0.00 O ATOM 210 CB GLU A 17 12.056 1.816 6.140 1.00 0.00 C ATOM 211 CG GLU A 17 12.531 3.054 6.884 1.00 0.00 C ATOM 212 CD GLU A 17 13.840 2.829 7.615 1.00 0.00 C ATOM 213 OE1 GLU A 17 14.684 2.067 7.100 1.00 0.00 O ATOM 214 OE2 GLU A 17 14.020 3.415 8.703 1.00 0.00 O ATOM 0 H GLU A 17 11.248 0.313 4.248 1.00 0.00 H new ATOM 0 HA GLU A 17 9.950 2.230 6.035 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.896 1.011 6.857 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.842 1.487 5.461 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.651 3.875 6.177 1.00 0.00 H new ATOM 0 HG3 GLU A 17 11.767 3.359 7.600 1.00 0.00 H new ATOM 221 N GLY A 18 10.248 4.337 4.777 1.00 0.00 N ATOM 222 CA GLY A 18 10.323 5.546 3.978 1.00 0.00 C ATOM 223 C GLY A 18 11.518 6.407 4.340 1.00 0.00 C ATOM 224 O GLY A 18 11.412 7.310 5.170 1.00 0.00 O ATOM 0 H GLY A 18 9.648 4.403 5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 18 10.379 5.278 2.923 1.00 0.00 H new ATOM 0 HA3 GLY A 18 9.409 6.124 4.112 1.00 0.00 H new ATOM 228 N SER A 19 12.658 6.125 3.718 1.00 0.00 N ATOM 229 CA SER A 19 13.879 6.877 3.983 1.00 0.00 C ATOM 230 C SER A 19 13.953 8.122 3.104 1.00 0.00 C ATOM 231 O SER A 19 14.211 9.223 3.589 1.00 0.00 O ATOM 232 CB SER A 19 15.107 5.996 3.744 1.00 0.00 C ATOM 233 OG SER A 19 15.210 5.624 2.380 1.00 0.00 O ATOM 0 H SER A 19 12.762 5.382 3.027 1.00 0.00 H new ATOM 0 HA SER A 19 13.863 7.192 5.027 1.00 0.00 H new ATOM 0 HB2 SER A 19 16.007 6.531 4.047 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.043 5.102 4.364 1.00 0.00 H new ATOM 0 HG SER A 19 16.003 5.063 2.253 1.00 0.00 H new ATOM 239 N SER A 20 13.725 7.937 1.808 1.00 0.00 N ATOM 240 CA SER A 20 13.769 9.044 0.859 1.00 0.00 C ATOM 241 C SER A 20 13.028 10.259 1.407 1.00 0.00 C ATOM 242 O SER A 20 12.191 10.138 2.301 1.00 0.00 O ATOM 243 CB SER A 20 13.159 8.621 -0.479 1.00 0.00 C ATOM 244 OG SER A 20 13.010 9.732 -1.346 1.00 0.00 O ATOM 0 H SER A 20 13.508 7.032 1.391 1.00 0.00 H new ATOM 0 HA SER A 20 14.813 9.316 0.704 1.00 0.00 H new ATOM 0 HB2 SER A 20 13.794 7.871 -0.950 1.00 0.00 H new ATOM 0 HB3 SER A 20 12.188 8.156 -0.309 1.00 0.00 H new ATOM 0 HG SER A 20 12.620 9.435 -2.194 1.00 0.00 H new ATOM 250 N GLU A 21 13.342 11.431 0.864 1.00 0.00 N ATOM 251 CA GLU A 21 12.707 12.669 1.299 1.00 0.00 C ATOM 252 C GLU A 21 11.322 12.819 0.675 1.00 0.00 C ATOM 253 O GLU A 21 10.988 13.866 0.123 1.00 0.00 O ATOM 254 CB GLU A 21 13.577 13.872 0.930 1.00 0.00 C ATOM 255 CG GLU A 21 13.799 14.027 -0.566 1.00 0.00 C ATOM 256 CD GLU A 21 14.506 15.321 -0.920 1.00 0.00 C ATOM 257 OE1 GLU A 21 15.666 15.499 -0.493 1.00 0.00 O ATOM 258 OE2 GLU A 21 13.899 16.154 -1.624 1.00 0.00 O ATOM 0 H GLU A 21 14.032 11.549 0.122 1.00 0.00 H new ATOM 0 HA GLU A 21 12.596 12.629 2.383 1.00 0.00 H new ATOM 0 HB2 GLU A 21 13.111 14.779 1.315 1.00 0.00 H new ATOM 0 HB3 GLU A 21 14.544 13.776 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 21 14.386 13.185 -0.932 1.00 0.00 H new ATOM 0 HG3 GLU A 21 12.837 13.991 -1.078 1.00 0.00 H new ATOM 265 N GLY A 22 10.520 11.762 0.768 1.00 0.00 N ATOM 266 CA GLY A 22 9.182 11.795 0.208 1.00 0.00 C ATOM 267 C GLY A 22 8.551 10.418 0.131 1.00 0.00 C ATOM 268 O GLY A 22 8.045 10.016 -0.917 1.00 0.00 O ATOM 0 H GLY A 22 10.773 10.884 1.221 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.553 12.446 0.816 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.220 12.230 -0.791 1.00 0.00 H new ATOM 272 N THR A 23 8.582 9.692 1.244 1.00 0.00 N ATOM 273 CA THR A 23 8.012 8.352 1.298 1.00 0.00 C ATOM 274 C THR A 23 7.488 8.033 2.693 1.00 0.00 C ATOM 275 O THR A 23 7.878 8.668 3.673 1.00 0.00 O ATOM 276 CB THR A 23 9.048 7.284 0.895 1.00 0.00 C ATOM 277 OG1 THR A 23 10.297 7.543 1.546 1.00 0.00 O ATOM 278 CG2 THR A 23 9.249 7.268 -0.613 1.00 0.00 C ATOM 0 H THR A 23 8.996 10.010 2.120 1.00 0.00 H new ATOM 0 HA THR A 23 7.185 8.332 0.589 1.00 0.00 H new ATOM 0 HB THR A 23 8.673 6.309 1.206 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.949 6.859 1.286 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.984 6.507 -0.874 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.302 7.042 -1.104 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.605 8.244 -0.943 1.00 0.00 H new ATOM 286 N ILE A 24 6.602 7.046 2.776 1.00 0.00 N ATOM 287 CA ILE A 24 6.025 6.643 4.052 1.00 0.00 C ATOM 288 C ILE A 24 6.434 5.219 4.414 1.00 0.00 C ATOM 289 O ILE A 24 6.705 4.398 3.538 1.00 0.00 O ATOM 290 CB ILE A 24 4.488 6.734 4.030 1.00 0.00 C ATOM 291 CG1 ILE A 24 3.905 6.213 5.345 1.00 0.00 C ATOM 292 CG2 ILE A 24 3.928 5.953 2.850 1.00 0.00 C ATOM 293 CD1 ILE A 24 2.464 6.614 5.568 1.00 0.00 C ATOM 0 H ILE A 24 6.268 6.511 1.974 1.00 0.00 H new ATOM 0 HA ILE A 24 6.410 7.332 4.804 1.00 0.00 H new ATOM 0 HB ILE A 24 4.203 7.780 3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.977 5.126 5.360 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.509 6.584 6.173 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.841 6.027 2.848 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.321 6.366 1.921 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.220 4.906 2.935 1.00 0.00 H new ATOM 0 HD11 ILE A 24 2.117 6.210 6.519 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.387 7.701 5.586 1.00 0.00 H new ATOM 0 HD13 ILE A 24 1.848 6.220 4.760 1.00 0.00 H new ATOM 305 N SER A 25 6.474 4.932 5.712 1.00 0.00 N ATOM 306 CA SER A 25 6.851 3.607 6.190 1.00 0.00 C ATOM 307 C SER A 25 5.617 2.798 6.579 1.00 0.00 C ATOM 308 O SER A 25 4.626 3.349 7.056 1.00 0.00 O ATOM 309 CB SER A 25 7.796 3.724 7.388 1.00 0.00 C ATOM 310 OG SER A 25 7.087 4.078 8.564 1.00 0.00 O ATOM 0 H SER A 25 6.250 5.599 6.450 1.00 0.00 H new ATOM 0 HA SER A 25 7.364 3.088 5.380 1.00 0.00 H new ATOM 0 HB2 SER A 25 8.312 2.776 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.560 4.473 7.181 1.00 0.00 H new ATOM 0 HG SER A 25 7.712 4.145 9.315 1.00 0.00 H new ATOM 316 N MET A 26 5.687 1.488 6.370 1.00 0.00 N ATOM 317 CA MET A 26 4.576 0.602 6.699 1.00 0.00 C ATOM 318 C MET A 26 5.085 -0.724 7.255 1.00 0.00 C ATOM 319 O MET A 26 6.250 -1.077 7.075 1.00 0.00 O ATOM 320 CB MET A 26 3.712 0.351 5.462 1.00 0.00 C ATOM 321 CG MET A 26 4.516 0.017 4.216 1.00 0.00 C ATOM 322 SD MET A 26 3.522 0.070 2.712 1.00 0.00 S ATOM 323 CE MET A 26 4.786 -0.148 1.463 1.00 0.00 C ATOM 0 H MET A 26 6.500 1.016 5.975 1.00 0.00 H new ATOM 0 HA MET A 26 3.970 1.088 7.464 1.00 0.00 H new ATOM 0 HB2 MET A 26 3.023 -0.468 5.670 1.00 0.00 H new ATOM 0 HB3 MET A 26 3.106 1.236 5.267 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.345 0.719 4.124 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.951 -0.977 4.325 1.00 0.00 H new ATOM 0 HE1 MET A 26 4.323 -0.173 0.477 1.00 0.00 H new ATOM 0 HE2 MET A 26 5.492 0.681 1.511 1.00 0.00 H new ATOM 0 HE3 MET A 26 5.314 -1.085 1.640 1.00 0.00 H new ATOM 333 N ALA A 27 4.203 -1.454 7.931 1.00 0.00 N ATOM 334 CA ALA A 27 4.564 -2.742 8.511 1.00 0.00 C ATOM 335 C ALA A 27 3.997 -3.893 7.687 1.00 0.00 C ATOM 336 O ALA A 27 2.920 -3.779 7.104 1.00 0.00 O ATOM 337 CB ALA A 27 4.073 -2.828 9.949 1.00 0.00 C ATOM 0 H ALA A 27 3.235 -1.176 8.090 1.00 0.00 H new ATOM 0 HA ALA A 27 5.651 -2.825 8.503 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.349 -3.795 10.370 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.529 -2.032 10.537 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.989 -2.719 9.970 1.00 0.00 H new ATOM 343 N GLU A 28 4.731 -5.001 7.643 1.00 0.00 N ATOM 344 CA GLU A 28 4.301 -6.172 6.889 1.00 0.00 C ATOM 345 C GLU A 28 2.905 -6.613 7.317 1.00 0.00 C ATOM 346 O GLU A 28 2.721 -7.162 8.403 1.00 0.00 O ATOM 347 CB GLU A 28 5.292 -7.322 7.080 1.00 0.00 C ATOM 348 CG GLU A 28 5.193 -8.396 6.009 1.00 0.00 C ATOM 349 CD GLU A 28 6.191 -9.519 6.215 1.00 0.00 C ATOM 350 OE1 GLU A 28 5.942 -10.381 7.084 1.00 0.00 O ATOM 351 OE2 GLU A 28 7.221 -9.536 5.509 1.00 0.00 O ATOM 0 H GLU A 28 5.626 -5.112 8.120 1.00 0.00 H new ATOM 0 HA GLU A 28 4.270 -5.901 5.834 1.00 0.00 H new ATOM 0 HB2 GLU A 28 6.305 -6.920 7.087 1.00 0.00 H new ATOM 0 HB3 GLU A 28 5.123 -7.777 8.056 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.184 -8.808 6.005 1.00 0.00 H new ATOM 0 HG3 GLU A 28 5.357 -7.944 5.031 1.00 0.00 H new ATOM 358 N GLY A 29 1.922 -6.368 6.456 1.00 0.00 N ATOM 359 CA GLY A 29 0.555 -6.745 6.763 1.00 0.00 C ATOM 360 C GLY A 29 -0.189 -5.663 7.520 1.00 0.00 C ATOM 361 O GLY A 29 -1.065 -5.956 8.333 1.00 0.00 O ATOM 0 H GLY A 29 2.048 -5.915 5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.025 -6.965 5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.558 -7.661 7.354 1.00 0.00 H new ATOM 365 N GLU A 30 0.163 -4.408 7.255 1.00 0.00 N ATOM 366 CA GLU A 30 -0.477 -3.279 7.921 1.00 0.00 C ATOM 367 C GLU A 30 -1.582 -2.689 7.050 1.00 0.00 C ATOM 368 O GLU A 30 -1.472 -2.659 5.824 1.00 0.00 O ATOM 369 CB GLU A 30 0.558 -2.201 8.252 1.00 0.00 C ATOM 370 CG GLU A 30 0.000 -1.056 9.080 1.00 0.00 C ATOM 371 CD GLU A 30 -0.578 -1.521 10.403 1.00 0.00 C ATOM 372 OE1 GLU A 30 -0.015 -2.465 10.997 1.00 0.00 O ATOM 373 OE2 GLU A 30 -1.593 -0.942 10.844 1.00 0.00 O ATOM 0 H GLU A 30 0.887 -4.148 6.585 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.923 -3.641 8.847 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.387 -2.659 8.792 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.965 -1.802 7.323 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.791 -0.330 9.268 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.774 -0.543 8.509 1.00 0.00 H new ATOM 380 N ASP A 31 -2.647 -2.222 7.692 1.00 0.00 N ATOM 381 CA ASP A 31 -3.773 -1.632 6.978 1.00 0.00 C ATOM 382 C ASP A 31 -3.469 -0.191 6.580 1.00 0.00 C ATOM 383 O ASP A 31 -2.908 0.575 7.364 1.00 0.00 O ATOM 384 CB ASP A 31 -5.035 -1.682 7.841 1.00 0.00 C ATOM 385 CG ASP A 31 -4.771 -1.269 9.276 1.00 0.00 C ATOM 386 OD1 ASP A 31 -4.247 -2.101 10.045 1.00 0.00 O ATOM 387 OD2 ASP A 31 -5.089 -0.114 9.630 1.00 0.00 O ATOM 0 H ASP A 31 -2.754 -2.241 8.706 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.941 -2.212 6.071 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -5.792 -1.027 7.411 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.442 -2.693 7.826 1.00 0.00 H new ATOM 392 N LEU A 32 -3.843 0.171 5.358 1.00 0.00 N ATOM 393 CA LEU A 32 -3.610 1.521 4.855 1.00 0.00 C ATOM 394 C LEU A 32 -4.830 2.039 4.101 1.00 0.00 C ATOM 395 O LEU A 32 -5.698 1.265 3.698 1.00 0.00 O ATOM 396 CB LEU A 32 -2.384 1.541 3.940 1.00 0.00 C ATOM 397 CG LEU A 32 -1.076 1.047 4.560 1.00 0.00 C ATOM 398 CD1 LEU A 32 -0.042 0.778 3.478 1.00 0.00 C ATOM 399 CD2 LEU A 32 -0.547 2.058 5.566 1.00 0.00 C ATOM 0 H LEU A 32 -4.309 -0.451 4.697 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.429 2.174 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.600 0.931 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -2.234 2.562 3.589 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.275 0.113 5.085 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.882 0.427 3.937 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.419 0.017 2.795 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.153 1.697 2.925 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.384 1.690 5.997 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.364 3.008 5.065 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.282 2.201 6.358 1.00 0.00 H new ATOM 411 N SER A 33 -4.888 3.353 3.912 1.00 0.00 N ATOM 412 CA SER A 33 -6.003 3.976 3.207 1.00 0.00 C ATOM 413 C SER A 33 -5.562 4.489 1.839 1.00 0.00 C ATOM 414 O SER A 33 -4.790 5.444 1.741 1.00 0.00 O ATOM 415 CB SER A 33 -6.579 5.126 4.035 1.00 0.00 C ATOM 416 OG SER A 33 -7.475 4.645 5.021 1.00 0.00 O ATOM 0 H SER A 33 -4.176 4.007 4.237 1.00 0.00 H new ATOM 0 HA SER A 33 -6.776 3.221 3.061 1.00 0.00 H new ATOM 0 HB2 SER A 33 -5.768 5.676 4.513 1.00 0.00 H new ATOM 0 HB3 SER A 33 -7.096 5.827 3.380 1.00 0.00 H new ATOM 0 HG SER A 33 -7.828 5.399 5.538 1.00 0.00 H new ATOM 422 N LEU A 34 -6.058 3.850 0.786 1.00 0.00 N ATOM 423 CA LEU A 34 -5.717 4.240 -0.577 1.00 0.00 C ATOM 424 C LEU A 34 -6.214 5.650 -0.880 1.00 0.00 C ATOM 425 O LEU A 34 -7.380 5.970 -0.651 1.00 0.00 O ATOM 426 CB LEU A 34 -6.316 3.250 -1.578 1.00 0.00 C ATOM 427 CG LEU A 34 -5.538 3.060 -2.880 1.00 0.00 C ATOM 428 CD1 LEU A 34 -5.559 4.336 -3.707 1.00 0.00 C ATOM 429 CD2 LEU A 34 -4.106 2.634 -2.590 1.00 0.00 C ATOM 0 H LEU A 34 -6.698 3.059 0.850 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.631 4.229 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.409 2.280 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -7.325 3.580 -1.826 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.021 2.271 -3.456 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -5.000 4.181 -4.630 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.590 4.597 -3.947 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.102 5.146 -3.138 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.568 2.504 -3.529 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.612 3.400 -1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -4.111 1.692 -2.041 1.00 0.00 H new ATOM 441 N MET A 35 -5.321 6.488 -1.398 1.00 0.00 N ATOM 442 CA MET A 35 -5.671 7.863 -1.736 1.00 0.00 C ATOM 443 C MET A 35 -5.388 8.150 -3.207 1.00 0.00 C ATOM 444 O MET A 35 -6.291 8.506 -3.963 1.00 0.00 O ATOM 445 CB MET A 35 -4.892 8.841 -0.854 1.00 0.00 C ATOM 446 CG MET A 35 -5.384 8.889 0.583 1.00 0.00 C ATOM 447 SD MET A 35 -6.749 10.045 0.812 1.00 0.00 S ATOM 448 CE MET A 35 -5.956 11.593 0.382 1.00 0.00 C ATOM 0 H MET A 35 -4.351 6.239 -1.592 1.00 0.00 H new ATOM 0 HA MET A 35 -6.738 7.995 -1.558 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.838 8.562 -0.859 1.00 0.00 H new ATOM 0 HB3 MET A 35 -4.959 9.840 -1.286 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.703 7.892 0.887 1.00 0.00 H new ATOM 0 HG3 MET A 35 -4.559 9.173 1.236 1.00 0.00 H new ATOM 0 HE1 MET A 35 -6.442 12.411 0.914 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.903 11.552 0.662 1.00 0.00 H new ATOM 0 HE3 MET A 35 -6.040 11.759 -0.692 1.00 0.00 H new ATOM 458 N GLU A 36 -4.129 7.994 -3.605 1.00 0.00 N ATOM 459 CA GLU A 36 -3.729 8.238 -4.985 1.00 0.00 C ATOM 460 C GLU A 36 -3.366 6.931 -5.686 1.00 0.00 C ATOM 461 O GLU A 36 -2.410 6.257 -5.306 1.00 0.00 O ATOM 462 CB GLU A 36 -2.541 9.201 -5.033 1.00 0.00 C ATOM 463 CG GLU A 36 -2.493 10.046 -6.295 1.00 0.00 C ATOM 464 CD GLU A 36 -1.079 10.433 -6.684 1.00 0.00 C ATOM 465 OE1 GLU A 36 -0.262 9.522 -6.933 1.00 0.00 O ATOM 466 OE2 GLU A 36 -0.790 11.647 -6.739 1.00 0.00 O ATOM 0 H GLU A 36 -3.369 7.700 -2.991 1.00 0.00 H new ATOM 0 HA GLU A 36 -4.574 8.688 -5.506 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.583 9.860 -4.166 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -1.617 8.629 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -2.953 9.495 -7.115 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.085 10.949 -6.146 1.00 0.00 H new ATOM 473 N GLU A 37 -4.139 6.581 -6.710 1.00 0.00 N ATOM 474 CA GLU A 37 -3.899 5.355 -7.462 1.00 0.00 C ATOM 475 C GLU A 37 -2.630 5.471 -8.301 1.00 0.00 C ATOM 476 O GLU A 37 -2.128 6.570 -8.539 1.00 0.00 O ATOM 477 CB GLU A 37 -5.095 5.043 -8.365 1.00 0.00 C ATOM 478 CG GLU A 37 -6.129 4.140 -7.715 1.00 0.00 C ATOM 479 CD GLU A 37 -7.349 3.925 -8.590 1.00 0.00 C ATOM 480 OE1 GLU A 37 -7.654 4.817 -9.410 1.00 0.00 O ATOM 481 OE2 GLU A 37 -7.998 2.867 -8.455 1.00 0.00 O ATOM 0 H GLU A 37 -4.935 7.128 -7.037 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.769 4.541 -6.749 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.573 5.978 -8.656 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -4.736 4.571 -9.279 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -5.673 3.176 -7.490 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -6.440 4.575 -6.765 1.00 0.00 H new ATOM 488 N ASP A 38 -2.117 4.329 -8.747 1.00 0.00 N ATOM 489 CA ASP A 38 -0.907 4.301 -9.560 1.00 0.00 C ATOM 490 C ASP A 38 -1.230 3.926 -11.003 1.00 0.00 C ATOM 491 O ASP A 38 -1.787 2.861 -11.269 1.00 0.00 O ATOM 492 CB ASP A 38 0.102 3.311 -8.977 1.00 0.00 C ATOM 493 CG ASP A 38 -0.055 1.917 -9.552 1.00 0.00 C ATOM 494 OD1 ASP A 38 -1.020 1.223 -9.169 1.00 0.00 O ATOM 495 OD2 ASP A 38 0.786 1.521 -10.386 1.00 0.00 O ATOM 0 H ASP A 38 -2.520 3.411 -8.559 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.471 5.300 -9.552 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.113 3.670 -9.172 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.018 3.270 -7.894 1.00 0.00 H new ATOM 500 N LYS A 39 -0.879 4.809 -11.931 1.00 0.00 N ATOM 501 CA LYS A 39 -1.132 4.573 -13.348 1.00 0.00 C ATOM 502 C LYS A 39 0.168 4.278 -14.090 1.00 0.00 C ATOM 503 O LYS A 39 0.889 5.193 -14.486 1.00 0.00 O ATOM 504 CB LYS A 39 -1.825 5.785 -13.973 1.00 0.00 C ATOM 505 CG LYS A 39 -3.305 5.878 -13.640 1.00 0.00 C ATOM 506 CD LYS A 39 -3.968 7.036 -14.367 1.00 0.00 C ATOM 507 CE LYS A 39 -4.408 6.637 -15.767 1.00 0.00 C ATOM 508 NZ LYS A 39 -5.645 5.808 -15.745 1.00 0.00 N ATOM 0 H LYS A 39 -0.418 5.696 -11.728 1.00 0.00 H new ATOM 0 HA LYS A 39 -1.785 3.705 -13.435 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.327 6.693 -13.633 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.707 5.742 -15.056 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -3.799 4.945 -13.912 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.430 6.003 -12.564 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -4.832 7.378 -13.797 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -3.274 7.874 -14.428 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.582 7.533 -16.362 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -3.607 6.081 -16.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.998 5.685 -16.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -5.432 4.877 -15.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -6.371 6.283 -15.171 1.00 0.00 H new ATOM 522 N GLY A 40 0.460 2.995 -14.277 1.00 0.00 N ATOM 523 CA GLY A 40 1.672 2.604 -14.973 1.00 0.00 C ATOM 524 C GLY A 40 2.905 3.294 -14.423 1.00 0.00 C ATOM 525 O GLY A 40 3.879 3.507 -15.145 1.00 0.00 O ATOM 0 H GLY A 40 -0.121 2.219 -13.959 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.799 1.524 -14.896 1.00 0.00 H new ATOM 0 HA3 GLY A 40 1.570 2.838 -16.033 1.00 0.00 H new ATOM 529 N ASP A 41 2.862 3.645 -13.142 1.00 0.00 N ATOM 530 CA ASP A 41 3.984 4.315 -12.496 1.00 0.00 C ATOM 531 C ASP A 41 4.568 3.449 -11.384 1.00 0.00 C ATOM 532 O ASP A 41 5.771 3.477 -11.128 1.00 0.00 O ATOM 533 CB ASP A 41 3.541 5.665 -11.929 1.00 0.00 C ATOM 534 CG ASP A 41 4.688 6.651 -11.819 1.00 0.00 C ATOM 535 OD1 ASP A 41 5.676 6.497 -12.566 1.00 0.00 O ATOM 536 OD2 ASP A 41 4.597 7.576 -10.984 1.00 0.00 O ATOM 0 H ASP A 41 2.063 3.477 -12.531 1.00 0.00 H new ATOM 0 HA ASP A 41 4.757 4.480 -13.246 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.764 6.086 -12.566 1.00 0.00 H new ATOM 0 HB3 ASP A 41 3.099 5.515 -10.944 1.00 0.00 H new ATOM 541 N GLY A 42 3.706 2.680 -10.725 1.00 0.00 N ATOM 542 CA GLY A 42 4.154 1.818 -9.648 1.00 0.00 C ATOM 543 C GLY A 42 4.240 2.545 -8.321 1.00 0.00 C ATOM 544 O GLY A 42 4.805 2.028 -7.357 1.00 0.00 O ATOM 0 H GLY A 42 2.705 2.639 -10.918 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.470 0.975 -9.553 1.00 0.00 H new ATOM 0 HA3 GLY A 42 5.132 1.408 -9.898 1.00 0.00 H new ATOM 548 N TRP A 43 3.681 3.749 -8.270 1.00 0.00 N ATOM 549 CA TRP A 43 3.699 4.549 -7.051 1.00 0.00 C ATOM 550 C TRP A 43 2.282 4.834 -6.566 1.00 0.00 C ATOM 551 O TRP A 43 1.467 5.401 -7.295 1.00 0.00 O ATOM 552 CB TRP A 43 4.443 5.864 -7.291 1.00 0.00 C ATOM 553 CG TRP A 43 5.913 5.682 -7.519 1.00 0.00 C ATOM 554 CD1 TRP A 43 6.588 5.859 -8.693 1.00 0.00 C ATOM 555 CD2 TRP A 43 6.888 5.285 -6.549 1.00 0.00 C ATOM 556 NE1 TRP A 43 7.925 5.597 -8.511 1.00 0.00 N ATOM 557 CE2 TRP A 43 8.134 5.243 -7.204 1.00 0.00 C ATOM 558 CE3 TRP A 43 6.830 4.964 -5.190 1.00 0.00 C ATOM 559 CZ2 TRP A 43 9.309 4.891 -6.545 1.00 0.00 C ATOM 560 CZ3 TRP A 43 7.997 4.614 -4.538 1.00 0.00 C ATOM 561 CH2 TRP A 43 9.223 4.581 -5.215 1.00 0.00 C ATOM 0 H TRP A 43 3.210 4.192 -9.059 1.00 0.00 H new ATOM 0 HA TRP A 43 4.219 3.980 -6.280 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.008 6.367 -8.155 1.00 0.00 H new ATOM 0 HB3 TRP A 43 4.294 6.519 -6.433 1.00 0.00 H new ATOM 0 HD1 TRP A 43 6.137 6.161 -9.627 1.00 0.00 H new ATOM 0 HE1 TRP A 43 8.644 5.656 -9.232 1.00 0.00 H new ATOM 0 HE3 TRP A 43 5.890 4.989 -4.659 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 10.255 4.864 -7.065 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 7.963 4.362 -3.488 1.00 0.00 H new ATOM 0 HH2 TRP A 43 10.118 4.305 -4.677 1.00 0.00 H new ATOM 572 N THR A 44 1.993 4.437 -5.331 1.00 0.00 N ATOM 573 CA THR A 44 0.673 4.648 -4.749 1.00 0.00 C ATOM 574 C THR A 44 0.770 5.398 -3.425 1.00 0.00 C ATOM 575 O THR A 44 1.653 5.128 -2.611 1.00 0.00 O ATOM 576 CB THR A 44 -0.059 3.313 -4.517 1.00 0.00 C ATOM 577 OG1 THR A 44 -0.199 2.610 -5.756 1.00 0.00 O ATOM 578 CG2 THR A 44 -1.431 3.548 -3.904 1.00 0.00 C ATOM 0 H THR A 44 2.656 3.967 -4.714 1.00 0.00 H new ATOM 0 HA THR A 44 0.105 5.246 -5.462 1.00 0.00 H new ATOM 0 HB THR A 44 0.533 2.714 -3.825 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.664 1.761 -5.600 1.00 0.00 H new ATOM 0 HG21 THR A 44 -1.929 2.591 -3.749 1.00 0.00 H new ATOM 0 HG22 THR A 44 -1.319 4.058 -2.947 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.029 4.164 -4.576 1.00 0.00 H new ATOM 586 N ARG A 45 -0.143 6.340 -3.216 1.00 0.00 N ATOM 587 CA ARG A 45 -0.160 7.130 -1.990 1.00 0.00 C ATOM 588 C ARG A 45 -1.259 6.647 -1.048 1.00 0.00 C ATOM 589 O ARG A 45 -2.441 6.668 -1.393 1.00 0.00 O ATOM 590 CB ARG A 45 -0.365 8.610 -2.315 1.00 0.00 C ATOM 591 CG ARG A 45 -0.127 9.532 -1.130 1.00 0.00 C ATOM 592 CD ARG A 45 -0.024 10.985 -1.566 1.00 0.00 C ATOM 593 NE ARG A 45 -0.443 11.904 -0.512 1.00 0.00 N ATOM 594 CZ ARG A 45 -0.690 13.194 -0.716 1.00 0.00 C ATOM 595 NH1 ARG A 45 -0.560 13.713 -1.929 1.00 0.00 N ATOM 596 NH2 ARG A 45 -1.068 13.966 0.295 1.00 0.00 N ATOM 0 H ARG A 45 -0.881 6.575 -3.880 1.00 0.00 H new ATOM 0 HA ARG A 45 0.802 7.005 -1.493 1.00 0.00 H new ATOM 0 HB2 ARG A 45 0.308 8.892 -3.125 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -1.382 8.756 -2.680 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.941 9.423 -0.414 1.00 0.00 H new ATOM 0 HG3 ARG A 45 0.790 9.239 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.005 11.206 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -0.641 11.143 -2.451 1.00 0.00 H new ATOM 0 HE ARG A 45 -0.552 11.536 0.433 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.270 13.122 -2.708 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -0.750 14.703 -2.083 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -1.169 13.570 1.229 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -1.257 14.956 0.138 1.00 0.00 H new ATOM 610 N VAL A 46 -0.862 6.213 0.144 1.00 0.00 N ATOM 611 CA VAL A 46 -1.813 5.726 1.136 1.00 0.00 C ATOM 612 C VAL A 46 -1.687 6.500 2.444 1.00 0.00 C ATOM 613 O VAL A 46 -0.636 7.067 2.742 1.00 0.00 O ATOM 614 CB VAL A 46 -1.610 4.226 1.419 1.00 0.00 C ATOM 615 CG1 VAL A 46 -1.810 3.411 0.149 1.00 0.00 C ATOM 616 CG2 VAL A 46 -0.231 3.977 2.010 1.00 0.00 C ATOM 0 H VAL A 46 0.112 6.189 0.446 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.809 5.878 0.721 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.355 3.908 2.148 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.663 2.354 0.368 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -2.821 3.566 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.090 3.729 -0.605 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -0.105 2.912 2.204 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.532 4.311 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -0.130 4.530 2.944 1.00 0.00 H new ATOM 626 N ARG A 47 -2.765 6.518 3.220 1.00 0.00 N ATOM 627 CA ARG A 47 -2.776 7.222 4.497 1.00 0.00 C ATOM 628 C ARG A 47 -2.769 6.237 5.662 1.00 0.00 C ATOM 629 O ARG A 47 -3.227 5.102 5.530 1.00 0.00 O ATOM 630 CB ARG A 47 -4.002 8.132 4.591 1.00 0.00 C ATOM 631 CG ARG A 47 -3.980 9.062 5.793 1.00 0.00 C ATOM 632 CD ARG A 47 -5.347 9.677 6.047 1.00 0.00 C ATOM 633 NE ARG A 47 -5.463 10.215 7.400 1.00 0.00 N ATOM 634 CZ ARG A 47 -6.539 10.852 7.848 1.00 0.00 C ATOM 635 NH1 ARG A 47 -7.587 11.029 7.055 1.00 0.00 N ATOM 636 NH2 ARG A 47 -6.569 11.312 9.092 1.00 0.00 N ATOM 0 H ARG A 47 -3.643 6.053 2.987 1.00 0.00 H new ATOM 0 HA ARG A 47 -1.874 7.832 4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.071 8.729 3.682 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -4.899 7.515 4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -3.659 8.509 6.676 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -3.249 9.853 5.629 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -5.526 10.473 5.324 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.118 8.923 5.889 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.674 10.095 8.036 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.568 10.676 6.098 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -8.412 11.519 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -5.765 11.177 9.705 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -7.396 11.801 9.435 1.00 0.00 H new ATOM 650 N ARG A 48 -2.247 6.680 6.801 1.00 0.00 N ATOM 651 CA ARG A 48 -2.179 5.836 7.989 1.00 0.00 C ATOM 652 C ARG A 48 -3.171 6.309 9.048 1.00 0.00 C ATOM 653 O ARG A 48 -3.507 7.491 9.116 1.00 0.00 O ATOM 654 CB ARG A 48 -0.761 5.841 8.563 1.00 0.00 C ATOM 655 CG ARG A 48 0.161 4.820 7.918 1.00 0.00 C ATOM 656 CD ARG A 48 1.620 5.113 8.227 1.00 0.00 C ATOM 657 NE ARG A 48 1.951 4.837 9.623 1.00 0.00 N ATOM 658 CZ ARG A 48 2.976 5.393 10.259 1.00 0.00 C ATOM 659 NH1 ARG A 48 3.765 6.251 9.628 1.00 0.00 N ATOM 660 NH2 ARG A 48 3.212 5.092 11.529 1.00 0.00 N ATOM 0 H ARG A 48 -1.865 7.617 6.927 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.442 4.819 7.698 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -0.332 6.835 8.439 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.811 5.647 9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -0.094 3.822 8.274 1.00 0.00 H new ATOM 0 HG3 ARG A 48 0.009 4.822 6.839 1.00 0.00 H new ATOM 0 HD2 ARG A 48 2.256 4.511 7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 48 1.835 6.158 8.003 1.00 0.00 H new ATOM 0 HE ARG A 48 1.363 4.181 10.137 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.586 6.486 8.652 1.00 0.00 H new ATOM 0 HH12 ARG A 48 4.551 6.677 10.119 1.00 0.00 H new ATOM 0 HH21 ARG A 48 2.606 4.433 12.018 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.999 5.519 12.017 1.00 0.00 H new ATOM 674 N LYS A 49 -3.635 5.377 9.873 1.00 0.00 N ATOM 675 CA LYS A 49 -4.588 5.697 10.930 1.00 0.00 C ATOM 676 C LYS A 49 -4.100 6.878 11.763 1.00 0.00 C ATOM 677 O LYS A 49 -4.886 7.739 12.154 1.00 0.00 O ATOM 678 CB LYS A 49 -4.808 4.479 11.831 1.00 0.00 C ATOM 679 CG LYS A 49 -5.906 4.677 12.862 1.00 0.00 C ATOM 680 CD LYS A 49 -6.452 3.348 13.357 1.00 0.00 C ATOM 681 CE LYS A 49 -5.617 2.793 14.500 1.00 0.00 C ATOM 682 NZ LYS A 49 -4.468 1.983 14.006 1.00 0.00 N ATOM 0 H LYS A 49 -3.367 4.394 9.830 1.00 0.00 H new ATOM 0 HA LYS A 49 -5.534 5.971 10.463 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -5.055 3.618 11.210 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -3.876 4.245 12.345 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -5.516 5.248 13.705 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -6.714 5.264 12.426 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -7.483 3.477 13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -6.468 2.632 12.536 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -5.245 3.616 15.111 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -6.246 2.177 15.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.164 1.322 14.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.758 1.447 13.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -3.679 2.614 13.760 1.00 0.00 H new ATOM 696 N GLU A 50 -2.798 6.910 12.030 1.00 0.00 N ATOM 697 CA GLU A 50 -2.207 7.987 12.816 1.00 0.00 C ATOM 698 C GLU A 50 -2.376 9.330 12.113 1.00 0.00 C ATOM 699 O GLU A 50 -3.022 10.239 12.634 1.00 0.00 O ATOM 700 CB GLU A 50 -0.722 7.712 13.064 1.00 0.00 C ATOM 701 CG GLU A 50 -0.461 6.434 13.843 1.00 0.00 C ATOM 702 CD GLU A 50 0.933 6.388 14.439 1.00 0.00 C ATOM 703 OE1 GLU A 50 1.320 7.360 15.120 1.00 0.00 O ATOM 704 OE2 GLU A 50 1.636 5.378 14.223 1.00 0.00 O ATOM 0 H GLU A 50 -2.133 6.204 11.714 1.00 0.00 H new ATOM 0 HA GLU A 50 -2.726 8.030 13.773 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.207 7.655 12.105 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -0.291 8.553 13.607 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.197 6.343 14.642 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.599 5.577 13.184 1.00 0.00 H new ATOM 711 N GLY A 51 -1.790 9.448 10.925 1.00 0.00 N ATOM 712 CA GLY A 51 -1.887 10.684 10.170 1.00 0.00 C ATOM 713 C GLY A 51 -0.691 10.904 9.264 1.00 0.00 C ATOM 714 O GLY A 51 -0.244 12.035 9.079 1.00 0.00 O ATOM 0 H GLY A 51 -1.250 8.710 10.472 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.796 10.669 9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.975 11.523 10.861 1.00 0.00 H new ATOM 718 N GLY A 52 -0.170 9.819 8.699 1.00 0.00 N ATOM 719 CA GLY A 52 0.977 9.921 7.816 1.00 0.00 C ATOM 720 C GLY A 52 0.737 9.258 6.475 1.00 0.00 C ATOM 721 O GLY A 52 0.346 8.093 6.412 1.00 0.00 O ATOM 0 H GLY A 52 -0.522 8.872 8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.219 10.972 7.660 1.00 0.00 H new ATOM 0 HA3 GLY A 52 1.842 9.462 8.295 1.00 0.00 H new ATOM 725 N GLU A 53 0.970 10.002 5.398 1.00 0.00 N ATOM 726 CA GLU A 53 0.774 9.479 4.051 1.00 0.00 C ATOM 727 C GLU A 53 2.003 9.735 3.184 1.00 0.00 C ATOM 728 O GLU A 53 2.643 10.780 3.288 1.00 0.00 O ATOM 729 CB GLU A 53 -0.460 10.116 3.408 1.00 0.00 C ATOM 730 CG GLU A 53 -0.375 11.628 3.294 1.00 0.00 C ATOM 731 CD GLU A 53 -1.739 12.292 3.303 1.00 0.00 C ATOM 732 OE1 GLU A 53 -2.591 11.909 2.474 1.00 0.00 O ATOM 733 OE2 GLU A 53 -1.953 13.193 4.140 1.00 0.00 O ATOM 0 H GLU A 53 1.295 10.968 5.432 1.00 0.00 H new ATOM 0 HA GLU A 53 0.621 8.402 4.125 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.600 9.693 2.414 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.341 9.853 3.994 1.00 0.00 H new ATOM 0 HG2 GLU A 53 0.220 12.018 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 53 0.147 11.890 2.374 1.00 0.00 H new ATOM 740 N GLY A 54 2.326 8.771 2.327 1.00 0.00 N ATOM 741 CA GLY A 54 3.477 8.909 1.454 1.00 0.00 C ATOM 742 C GLY A 54 3.356 8.071 0.197 1.00 0.00 C ATOM 743 O GLY A 54 2.363 7.369 0.004 1.00 0.00 O ATOM 0 H GLY A 54 1.811 7.897 2.222 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.596 9.957 1.178 1.00 0.00 H new ATOM 0 HA3 GLY A 54 4.377 8.618 1.996 1.00 0.00 H new ATOM 747 N TYR A 55 4.368 8.144 -0.661 1.00 0.00 N ATOM 748 CA TYR A 55 4.368 7.389 -1.908 1.00 0.00 C ATOM 749 C TYR A 55 5.089 6.055 -1.737 1.00 0.00 C ATOM 750 O TYR A 55 6.304 6.013 -1.544 1.00 0.00 O ATOM 751 CB TYR A 55 5.034 8.202 -3.020 1.00 0.00 C ATOM 752 CG TYR A 55 4.161 9.309 -3.567 1.00 0.00 C ATOM 753 CD1 TYR A 55 3.099 9.026 -4.417 1.00 0.00 C ATOM 754 CD2 TYR A 55 4.398 10.636 -3.234 1.00 0.00 C ATOM 755 CE1 TYR A 55 2.299 10.034 -4.920 1.00 0.00 C ATOM 756 CE2 TYR A 55 3.603 11.651 -3.730 1.00 0.00 C ATOM 757 CZ TYR A 55 2.554 11.345 -4.573 1.00 0.00 C ATOM 758 OH TYR A 55 1.760 12.352 -5.071 1.00 0.00 O ATOM 0 H TYR A 55 5.198 8.718 -0.515 1.00 0.00 H new ATOM 0 HA TYR A 55 3.332 7.189 -2.183 1.00 0.00 H new ATOM 0 HB2 TYR A 55 5.959 8.635 -2.638 1.00 0.00 H new ATOM 0 HB3 TYR A 55 5.309 7.531 -3.834 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.895 8.001 -4.689 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.219 10.879 -2.575 1.00 0.00 H new ATOM 0 HE1 TYR A 55 1.479 9.797 -5.581 1.00 0.00 H new ATOM 0 HE2 TYR A 55 3.801 12.678 -3.460 1.00 0.00 H new ATOM 0 HH TYR A 55 1.010 11.962 -5.566 1.00 0.00 H new ATOM 768 N VAL A 56 4.329 4.967 -1.810 1.00 0.00 N ATOM 769 CA VAL A 56 4.893 3.630 -1.665 1.00 0.00 C ATOM 770 C VAL A 56 4.776 2.840 -2.964 1.00 0.00 C ATOM 771 O VAL A 56 3.869 3.053 -3.769 1.00 0.00 O ATOM 772 CB VAL A 56 4.197 2.846 -0.536 1.00 0.00 C ATOM 773 CG1 VAL A 56 4.280 3.613 0.775 1.00 0.00 C ATOM 774 CG2 VAL A 56 2.750 2.556 -0.904 1.00 0.00 C ATOM 0 H VAL A 56 3.322 4.985 -1.969 1.00 0.00 H new ATOM 0 HA VAL A 56 5.946 3.757 -1.414 1.00 0.00 H new ATOM 0 HB VAL A 56 4.712 1.894 -0.405 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.783 3.044 1.561 1.00 0.00 H new ATOM 0 HG12 VAL A 56 5.326 3.765 1.042 1.00 0.00 H new ATOM 0 HG13 VAL A 56 3.790 4.580 0.662 1.00 0.00 H new ATOM 0 HG21 VAL A 56 2.273 2.002 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 56 2.220 3.495 -1.062 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.719 1.963 -1.818 1.00 0.00 H new ATOM 784 N PRO A 57 5.715 1.906 -3.175 1.00 0.00 N ATOM 785 CA PRO A 57 5.739 1.064 -4.375 1.00 0.00 C ATOM 786 C PRO A 57 4.593 0.059 -4.400 1.00 0.00 C ATOM 787 O PRO A 57 4.452 -0.762 -3.492 1.00 0.00 O ATOM 788 CB PRO A 57 7.084 0.340 -4.274 1.00 0.00 C ATOM 789 CG PRO A 57 7.398 0.326 -2.817 1.00 0.00 C ATOM 790 CD PRO A 57 6.826 1.599 -2.258 1.00 0.00 C ATOM 0 HA PRO A 57 5.623 1.650 -5.287 1.00 0.00 H new ATOM 0 HB2 PRO A 57 7.020 -0.672 -4.675 1.00 0.00 H new ATOM 0 HB3 PRO A 57 7.857 0.859 -4.841 1.00 0.00 H new ATOM 0 HG2 PRO A 57 6.959 -0.545 -2.331 1.00 0.00 H new ATOM 0 HG3 PRO A 57 8.474 0.275 -2.650 1.00 0.00 H new ATOM 0 HD2 PRO A 57 6.477 1.467 -1.234 1.00 0.00 H new ATOM 0 HD3 PRO A 57 7.566 2.399 -2.242 1.00 0.00 H new ATOM 798 N THR A 58 3.775 0.126 -5.446 1.00 0.00 N ATOM 799 CA THR A 58 2.641 -0.778 -5.589 1.00 0.00 C ATOM 800 C THR A 58 3.048 -2.220 -5.309 1.00 0.00 C ATOM 801 O THR A 58 2.301 -2.977 -4.690 1.00 0.00 O ATOM 802 CB THR A 58 2.030 -0.694 -7.000 1.00 0.00 C ATOM 803 OG1 THR A 58 1.959 0.673 -7.423 1.00 0.00 O ATOM 804 CG2 THR A 58 0.640 -1.310 -7.026 1.00 0.00 C ATOM 0 H THR A 58 3.877 0.798 -6.207 1.00 0.00 H new ATOM 0 HA THR A 58 1.895 -0.466 -4.859 1.00 0.00 H new ATOM 0 HB THR A 58 2.671 -1.253 -7.682 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.290 1.147 -6.887 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.229 -1.239 -8.033 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.701 -2.358 -6.732 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.008 -0.776 -6.331 1.00 0.00 H new ATOM 812 N SER A 59 4.239 -2.593 -5.768 1.00 0.00 N ATOM 813 CA SER A 59 4.744 -3.946 -5.569 1.00 0.00 C ATOM 814 C SER A 59 4.573 -4.382 -4.117 1.00 0.00 C ATOM 815 O SER A 59 4.332 -5.556 -3.834 1.00 0.00 O ATOM 816 CB SER A 59 6.220 -4.026 -5.967 1.00 0.00 C ATOM 817 OG SER A 59 6.931 -2.887 -5.515 1.00 0.00 O ATOM 0 H SER A 59 4.871 -1.977 -6.280 1.00 0.00 H new ATOM 0 HA SER A 59 4.167 -4.619 -6.203 1.00 0.00 H new ATOM 0 HB2 SER A 59 6.665 -4.928 -5.546 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.304 -4.105 -7.051 1.00 0.00 H new ATOM 0 HG SER A 59 7.872 -2.962 -5.780 1.00 0.00 H new ATOM 823 N TYR A 60 4.699 -3.429 -3.201 1.00 0.00 N ATOM 824 CA TYR A 60 4.561 -3.714 -1.778 1.00 0.00 C ATOM 825 C TYR A 60 3.147 -3.404 -1.295 1.00 0.00 C ATOM 826 O TYR A 60 2.939 -3.042 -0.136 1.00 0.00 O ATOM 827 CB TYR A 60 5.576 -2.900 -0.973 1.00 0.00 C ATOM 828 CG TYR A 60 6.994 -3.411 -1.095 1.00 0.00 C ATOM 829 CD1 TYR A 60 7.550 -3.683 -2.339 1.00 0.00 C ATOM 830 CD2 TYR A 60 7.778 -3.620 0.033 1.00 0.00 C ATOM 831 CE1 TYR A 60 8.845 -4.150 -2.456 1.00 0.00 C ATOM 832 CE2 TYR A 60 9.074 -4.086 -0.075 1.00 0.00 C ATOM 833 CZ TYR A 60 9.603 -4.349 -1.321 1.00 0.00 C ATOM 834 OH TYR A 60 10.893 -4.814 -1.432 1.00 0.00 O ATOM 0 H TYR A 60 4.897 -2.452 -3.418 1.00 0.00 H new ATOM 0 HA TYR A 60 4.753 -4.776 -1.626 1.00 0.00 H new ATOM 0 HB2 TYR A 60 5.543 -1.862 -1.305 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.285 -2.908 0.077 1.00 0.00 H new ATOM 0 HD1 TYR A 60 6.960 -3.527 -3.230 1.00 0.00 H new ATOM 0 HD2 TYR A 60 7.367 -3.415 1.011 1.00 0.00 H new ATOM 0 HE1 TYR A 60 9.261 -4.358 -3.431 1.00 0.00 H new ATOM 0 HE2 TYR A 60 9.670 -4.244 0.812 1.00 0.00 H new ATOM 0 HH TYR A 60 11.288 -4.898 -0.539 1.00 0.00 H new ATOM 844 N LEU A 61 2.178 -3.550 -2.192 1.00 0.00 N ATOM 845 CA LEU A 61 0.782 -3.287 -1.859 1.00 0.00 C ATOM 846 C LEU A 61 -0.123 -4.393 -2.394 1.00 0.00 C ATOM 847 O LEU A 61 -0.175 -4.637 -3.599 1.00 0.00 O ATOM 848 CB LEU A 61 0.347 -1.936 -2.429 1.00 0.00 C ATOM 849 CG LEU A 61 1.064 -0.708 -1.867 1.00 0.00 C ATOM 850 CD1 LEU A 61 0.542 0.561 -2.523 1.00 0.00 C ATOM 851 CD2 LEU A 61 0.896 -0.638 -0.356 1.00 0.00 C ATOM 0 H LEU A 61 2.333 -3.849 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 61 0.692 -3.262 -0.773 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.494 -1.955 -3.509 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -0.723 -1.818 -2.255 1.00 0.00 H new ATOM 0 HG LEU A 61 2.127 -0.797 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.064 1.425 -2.111 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.714 0.512 -3.598 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.527 0.657 -2.331 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.413 0.242 0.027 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.164 -0.572 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.319 -1.534 0.099 1.00 0.00 H new ATOM 863 N ARG A 62 -0.835 -5.057 -1.489 1.00 0.00 N ATOM 864 CA ARG A 62 -1.739 -6.136 -1.870 1.00 0.00 C ATOM 865 C ARG A 62 -3.189 -5.758 -1.582 1.00 0.00 C ATOM 866 O ARG A 62 -3.601 -5.670 -0.426 1.00 0.00 O ATOM 867 CB ARG A 62 -1.377 -7.420 -1.122 1.00 0.00 C ATOM 868 CG ARG A 62 -2.399 -8.533 -1.293 1.00 0.00 C ATOM 869 CD ARG A 62 -1.748 -9.904 -1.210 1.00 0.00 C ATOM 870 NE ARG A 62 -2.479 -10.905 -1.983 1.00 0.00 N ATOM 871 CZ ARG A 62 -3.544 -11.553 -1.525 1.00 0.00 C ATOM 872 NH1 ARG A 62 -4.001 -11.305 -0.305 1.00 0.00 N ATOM 873 NH2 ARG A 62 -4.156 -12.450 -2.288 1.00 0.00 N ATOM 0 H ARG A 62 -0.803 -4.867 -0.487 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.632 -6.305 -2.942 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.406 -7.773 -1.471 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.272 -7.195 -0.061 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -3.166 -8.446 -0.523 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.900 -8.424 -2.255 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.723 -9.841 -1.576 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -1.696 -10.218 -0.168 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.154 -11.118 -2.926 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -3.534 -10.615 0.284 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -4.819 -11.804 0.044 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -3.809 -12.643 -3.227 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.974 -12.947 -1.935 1.00 0.00 H new ATOM 887 N VAL A 63 -3.958 -5.534 -2.643 1.00 0.00 N ATOM 888 CA VAL A 63 -5.362 -5.165 -2.505 1.00 0.00 C ATOM 889 C VAL A 63 -6.113 -6.176 -1.645 1.00 0.00 C ATOM 890 O VAL A 63 -6.261 -7.339 -2.020 1.00 0.00 O ATOM 891 CB VAL A 63 -6.053 -5.062 -3.878 1.00 0.00 C ATOM 892 CG1 VAL A 63 -7.525 -4.717 -3.710 1.00 0.00 C ATOM 893 CG2 VAL A 63 -5.351 -4.033 -4.751 1.00 0.00 C ATOM 0 H VAL A 63 -3.632 -5.602 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.387 -4.189 -2.020 1.00 0.00 H new ATOM 0 HB VAL A 63 -5.986 -6.031 -4.373 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.997 -4.648 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.016 -5.494 -3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.618 -3.761 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.852 -3.973 -5.717 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.385 -3.059 -4.264 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.312 -4.329 -4.899 1.00 0.00 H new ATOM 903 N THR A 64 -6.587 -5.723 -0.488 1.00 0.00 N ATOM 904 CA THR A 64 -7.322 -6.587 0.427 1.00 0.00 C ATOM 905 C THR A 64 -8.228 -7.549 -0.334 1.00 0.00 C ATOM 906 O THR A 64 -8.255 -8.747 -0.050 1.00 0.00 O ATOM 907 CB THR A 64 -8.177 -5.765 1.411 1.00 0.00 C ATOM 908 OG1 THR A 64 -9.155 -5.005 0.693 1.00 0.00 O ATOM 909 CG2 THR A 64 -7.304 -4.830 2.234 1.00 0.00 C ATOM 0 H THR A 64 -6.475 -4.763 -0.163 1.00 0.00 H new ATOM 0 HA THR A 64 -6.581 -7.156 0.988 1.00 0.00 H new ATOM 0 HB THR A 64 -8.680 -6.456 2.087 1.00 0.00 H new ATOM 0 HG1 THR A 64 -9.794 -4.614 1.325 1.00 0.00 H new ATOM 0 HG21 THR A 64 -7.929 -4.260 2.922 1.00 0.00 H new ATOM 0 HG22 THR A 64 -6.579 -5.414 2.801 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.777 -4.145 1.570 1.00 0.00 H new ATOM 917 N SER A 65 -8.967 -7.018 -1.302 1.00 0.00 N ATOM 918 CA SER A 65 -9.877 -7.830 -2.102 1.00 0.00 C ATOM 919 C SER A 65 -10.605 -8.849 -1.230 1.00 0.00 C ATOM 920 O SER A 65 -10.772 -10.005 -1.615 1.00 0.00 O ATOM 921 CB SER A 65 -9.110 -8.548 -3.213 1.00 0.00 C ATOM 922 OG SER A 65 -9.993 -9.243 -4.076 1.00 0.00 O ATOM 0 H SER A 65 -8.954 -6.029 -1.552 1.00 0.00 H new ATOM 0 HA SER A 65 -10.617 -7.167 -2.551 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.531 -7.824 -3.786 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.399 -9.248 -2.774 1.00 0.00 H new ATOM 0 HG SER A 65 -10.548 -9.857 -3.551 1.00 0.00 H new ATOM 928 N GLY A 66 -11.036 -8.409 -0.051 1.00 0.00 N ATOM 929 CA GLY A 66 -11.741 -9.294 0.858 1.00 0.00 C ATOM 930 C GLY A 66 -13.077 -8.730 1.297 1.00 0.00 C ATOM 931 O GLY A 66 -13.199 -8.122 2.360 1.00 0.00 O ATOM 0 H GLY A 66 -10.909 -7.456 0.290 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.899 -10.257 0.373 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.121 -9.477 1.736 1.00 0.00 H new ATOM 935 N PRO A 67 -14.110 -8.929 0.465 1.00 0.00 N ATOM 936 CA PRO A 67 -15.463 -8.441 0.751 1.00 0.00 C ATOM 937 C PRO A 67 -16.119 -9.195 1.903 1.00 0.00 C ATOM 938 O PRO A 67 -15.621 -10.232 2.342 1.00 0.00 O ATOM 939 CB PRO A 67 -16.217 -8.700 -0.555 1.00 0.00 C ATOM 940 CG PRO A 67 -15.481 -9.822 -1.203 1.00 0.00 C ATOM 941 CD PRO A 67 -14.038 -9.645 -0.820 1.00 0.00 C ATOM 0 HA PRO A 67 -15.463 -7.395 1.059 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -17.257 -8.966 -0.365 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -16.225 -7.814 -1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -15.860 -10.786 -0.863 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.604 -9.796 -2.286 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -13.529 -10.604 -0.718 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.491 -9.072 -1.569 1.00 0.00 H new ATOM 949 N SER A 68 -17.239 -8.669 2.387 1.00 0.00 N ATOM 950 CA SER A 68 -17.961 -9.291 3.491 1.00 0.00 C ATOM 951 C SER A 68 -17.082 -9.379 4.735 1.00 0.00 C ATOM 952 O SER A 68 -17.097 -10.382 5.449 1.00 0.00 O ATOM 953 CB SER A 68 -18.441 -10.688 3.091 1.00 0.00 C ATOM 954 OG SER A 68 -19.200 -10.643 1.895 1.00 0.00 O ATOM 0 H SER A 68 -17.667 -7.814 2.032 1.00 0.00 H new ATOM 0 HA SER A 68 -18.826 -8.670 3.723 1.00 0.00 H new ATOM 0 HB2 SER A 68 -17.583 -11.346 2.956 1.00 0.00 H new ATOM 0 HB3 SER A 68 -19.045 -11.112 3.893 1.00 0.00 H new ATOM 0 HG SER A 68 -19.494 -11.548 1.660 1.00 0.00 H new ATOM 960 N SER A 69 -16.316 -8.323 4.987 1.00 0.00 N ATOM 961 CA SER A 69 -15.427 -8.281 6.141 1.00 0.00 C ATOM 962 C SER A 69 -16.225 -8.217 7.440 1.00 0.00 C ATOM 963 O SER A 69 -16.766 -7.171 7.798 1.00 0.00 O ATOM 964 CB SER A 69 -14.488 -7.076 6.046 1.00 0.00 C ATOM 965 OG SER A 69 -13.314 -7.401 5.322 1.00 0.00 O ATOM 0 H SER A 69 -16.293 -7.484 4.407 1.00 0.00 H new ATOM 0 HA SER A 69 -14.834 -9.195 6.144 1.00 0.00 H new ATOM 0 HB2 SER A 69 -15.002 -6.248 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 69 -14.220 -6.740 7.048 1.00 0.00 H new ATOM 0 HG SER A 69 -13.547 -7.595 4.390 1.00 0.00 H new ATOM 971 N GLY A 70 -16.294 -9.344 8.142 1.00 0.00 N ATOM 972 CA GLY A 70 -17.028 -9.395 9.392 1.00 0.00 C ATOM 973 C GLY A 70 -16.355 -8.599 10.493 1.00 0.00 C ATOM 974 O GLY A 70 -15.225 -8.894 10.880 1.00 0.00 O ATOM 0 H GLY A 70 -15.854 -10.222 7.867 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.036 -9.010 9.234 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.129 -10.433 9.708 1.00 0.00 H new TER 978 GLY A 70