USER MOD reduce.3.24.130724 H: found=0, std=0, add=709, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 704 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 85 SER OG : rot 180:sc= 0.549 USER MOD Set 1.2: A 106 SER OG : rot -78:sc= 0.6 USER MOD Set 2.1: A 33 GLN : amide:sc= 0.153 X(o=0.31,f=-0.18) USER MOD Set 2.2: A 50 TYR OH : rot -93:sc= 0.161 USER MOD Set 3.1: A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 21 LYS NZ :NH3+ -162:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ 149:sc= 0.00154 (180deg=0) USER MOD Single : A 3 SER OG : rot -20:sc= -0.441 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ -116:sc=-0.00831 (180deg=-1.03) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot -63:sc= 0.287 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 140:sc= -0.729 USER MOD Single : A 13 TYR OH : rot -99:sc= -0.992 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.9!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -168:sc= -0.0435 (180deg=-0.255) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HD1:sc= -0.058 X(o=-0.058,f=-0.31) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot -90:sc= -2.92! USER MOD Single : A 61 THR OG1 : rot -2:sc= 0.58 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 57:sc= 0.202 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD Single : A 101 SER OG : rot 180:sc= -0.512 USER MOD Single : A 107 THR OG1 : rot -41:sc= 0.956 USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 0.344 2.926 0.398 1.00 0.00 N ATOM 2 CA ALA A 1 1.567 3.154 1.157 1.00 0.00 C ATOM 3 C ALA A 1 2.371 1.867 1.304 1.00 0.00 C ATOM 4 O ALA A 1 1.822 0.815 1.629 1.00 0.00 O ATOM 5 CB ALA A 1 1.238 3.732 2.526 1.00 0.00 C ATOM 0 H1 ALA A 1 -0.396 3.578 0.728 1.00 0.00 H new ATOM 0 H2 ALA A 1 0.526 3.092 -0.612 1.00 0.00 H new ATOM 0 H3 ALA A 1 0.027 1.945 0.536 1.00 0.00 H new ATOM 0 HA ALA A 1 2.177 3.871 0.608 1.00 0.00 H new ATOM 0 HB1 ALA A 1 2.161 3.897 3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 1 0.713 4.679 2.404 1.00 0.00 H new ATOM 0 HB3 ALA A 1 0.605 3.034 3.073 1.00 0.00 H new ATOM 11 N GLY A 2 3.675 1.957 1.060 1.00 0.00 N ATOM 12 CA GLY A 2 4.533 0.792 1.169 1.00 0.00 C ATOM 13 C GLY A 2 6.003 1.140 1.046 1.00 0.00 C ATOM 14 O GLY A 2 6.469 1.523 -0.027 1.00 0.00 O ATOM 0 H GLY A 2 4.152 2.817 0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 2 4.358 0.304 2.128 1.00 0.00 H new ATOM 0 HA3 GLY A 2 4.267 0.075 0.393 1.00 0.00 H new ATOM 18 N SER A 3 6.735 1.009 2.148 1.00 0.00 N ATOM 19 CA SER A 3 8.160 1.318 2.160 1.00 0.00 C ATOM 20 C SER A 3 8.850 0.654 3.347 1.00 0.00 C ATOM 21 O SER A 3 8.290 0.574 4.441 1.00 0.00 O ATOM 22 CB SER A 3 8.374 2.832 2.212 1.00 0.00 C ATOM 23 OG SER A 3 7.711 3.479 1.140 1.00 0.00 O ATOM 0 H SER A 3 6.365 0.691 3.044 1.00 0.00 H new ATOM 0 HA SER A 3 8.599 0.927 1.242 1.00 0.00 H new ATOM 0 HB2 SER A 3 8.004 3.222 3.160 1.00 0.00 H new ATOM 0 HB3 SER A 3 9.441 3.053 2.170 1.00 0.00 H new ATOM 0 HG SER A 3 7.533 2.831 0.427 1.00 0.00 H new ATOM 29 N LYS A 4 10.070 0.178 3.124 1.00 0.00 N ATOM 30 CA LYS A 4 10.840 -0.478 4.174 1.00 0.00 C ATOM 31 C LYS A 4 12.285 -0.695 3.736 1.00 0.00 C ATOM 32 O LYS A 4 12.709 -0.194 2.693 1.00 0.00 O ATOM 33 CB LYS A 4 10.201 -1.820 4.540 1.00 0.00 C ATOM 34 CG LYS A 4 10.395 -2.894 3.484 1.00 0.00 C ATOM 35 CD LYS A 4 11.277 -4.023 3.993 1.00 0.00 C ATOM 36 CE LYS A 4 10.460 -5.262 4.325 1.00 0.00 C ATOM 37 NZ LYS A 4 10.998 -5.979 5.514 1.00 0.00 N ATOM 0 H LYS A 4 10.547 0.234 2.224 1.00 0.00 H new ATOM 0 HA LYS A 4 10.838 0.171 5.050 1.00 0.00 H new ATOM 0 HB2 LYS A 4 10.623 -2.169 5.483 1.00 0.00 H new ATOM 0 HB3 LYS A 4 9.134 -1.672 4.704 1.00 0.00 H new ATOM 0 HG2 LYS A 4 9.425 -3.294 3.188 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.844 -2.453 2.594 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.025 -4.270 3.239 1.00 0.00 H new ATOM 0 HD3 LYS A 4 11.816 -3.693 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 4 9.425 -4.975 4.511 1.00 0.00 H new ATOM 0 HE3 LYS A 4 10.455 -5.934 3.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 10.414 -6.817 5.708 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 11.977 -6.275 5.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 10.979 -5.346 6.339 1.00 0.00 H new ATOM 51 N LEU A 5 13.035 -1.444 4.536 1.00 0.00 N ATOM 52 CA LEU A 5 14.433 -1.728 4.229 1.00 0.00 C ATOM 53 C LEU A 5 14.661 -3.227 4.069 1.00 0.00 C ATOM 54 O LEU A 5 14.053 -4.037 4.770 1.00 0.00 O ATOM 55 CB LEU A 5 15.339 -1.177 5.331 1.00 0.00 C ATOM 56 CG LEU A 5 16.477 -0.265 4.871 1.00 0.00 C ATOM 57 CD1 LEU A 5 16.317 1.128 5.460 1.00 0.00 C ATOM 58 CD2 LEU A 5 17.825 -0.858 5.256 1.00 0.00 C ATOM 0 H LEU A 5 12.699 -1.866 5.402 1.00 0.00 H new ATOM 0 HA LEU A 5 14.680 -1.239 3.286 1.00 0.00 H new ATOM 0 HB2 LEU A 5 14.721 -0.625 6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 5 15.771 -2.018 5.873 1.00 0.00 H new ATOM 0 HG LEU A 5 16.435 -0.184 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 5 17.136 1.762 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 5 15.369 1.554 5.133 1.00 0.00 H new ATOM 0 HD13 LEU A 5 16.331 1.067 6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 5 18.623 -0.196 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 5 17.877 -0.970 6.339 1.00 0.00 H new ATOM 0 HD23 LEU A 5 17.941 -1.834 4.784 1.00 0.00 H new ATOM 70 N CYS A 6 15.543 -3.591 3.144 1.00 0.00 N ATOM 71 CA CYS A 6 15.854 -4.993 2.892 1.00 0.00 C ATOM 72 C CYS A 6 17.332 -5.276 3.145 1.00 0.00 C ATOM 73 O CYS A 6 18.205 -4.588 2.616 1.00 0.00 O ATOM 74 CB CYS A 6 15.491 -5.367 1.454 1.00 0.00 C ATOM 75 SG CYS A 6 13.702 -5.349 1.111 1.00 0.00 S ATOM 0 H CYS A 6 16.055 -2.934 2.556 1.00 0.00 H new ATOM 0 HA CYS A 6 15.263 -5.600 3.578 1.00 0.00 H new ATOM 0 HB2 CYS A 6 15.988 -4.675 0.773 1.00 0.00 H new ATOM 0 HB3 CYS A 6 15.882 -6.362 1.239 1.00 0.00 H new ATOM 80 N GLU A 7 17.604 -6.292 3.958 1.00 0.00 N ATOM 81 CA GLU A 7 18.976 -6.665 4.281 1.00 0.00 C ATOM 82 C GLU A 7 19.246 -8.121 3.911 1.00 0.00 C ATOM 83 O GLU A 7 18.413 -8.997 4.142 1.00 0.00 O ATOM 84 CB GLU A 7 19.250 -6.447 5.771 1.00 0.00 C ATOM 85 CG GLU A 7 18.376 -7.294 6.681 1.00 0.00 C ATOM 86 CD GLU A 7 18.828 -7.254 8.127 1.00 0.00 C ATOM 87 OE1 GLU A 7 19.866 -6.618 8.408 1.00 0.00 O ATOM 88 OE2 GLU A 7 18.145 -7.860 8.979 1.00 0.00 O ATOM 0 H GLU A 7 16.893 -6.871 4.405 1.00 0.00 H new ATOM 0 HA GLU A 7 19.644 -6.030 3.699 1.00 0.00 H new ATOM 0 HB2 GLU A 7 20.297 -6.671 5.976 1.00 0.00 H new ATOM 0 HB3 GLU A 7 19.096 -5.395 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 7 17.345 -6.945 6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 7 18.385 -8.326 6.330 1.00 0.00 H new ATOM 95 N LYS A 8 20.417 -8.371 3.334 1.00 0.00 N ATOM 96 CA LYS A 8 20.799 -9.719 2.931 1.00 0.00 C ATOM 97 C LYS A 8 21.844 -10.295 3.881 1.00 0.00 C ATOM 98 O LYS A 8 22.678 -9.566 4.419 1.00 0.00 O ATOM 99 CB LYS A 8 21.343 -9.711 1.501 1.00 0.00 C ATOM 100 CG LYS A 8 20.275 -9.929 0.443 1.00 0.00 C ATOM 101 CD LYS A 8 19.623 -11.294 0.582 1.00 0.00 C ATOM 102 CE LYS A 8 18.107 -11.185 0.635 1.00 0.00 C ATOM 103 NZ LYS A 8 17.443 -12.362 0.010 1.00 0.00 N ATOM 0 H LYS A 8 21.118 -7.657 3.135 1.00 0.00 H new ATOM 0 HA LYS A 8 19.910 -10.349 2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 8 21.838 -8.758 1.315 1.00 0.00 H new ATOM 0 HB3 LYS A 8 22.101 -10.488 1.405 1.00 0.00 H new ATOM 0 HG2 LYS A 8 19.515 -9.152 0.526 1.00 0.00 H new ATOM 0 HG3 LYS A 8 20.719 -9.836 -0.548 1.00 0.00 H new ATOM 0 HD2 LYS A 8 19.914 -11.925 -0.258 1.00 0.00 H new ATOM 0 HD3 LYS A 8 19.986 -11.781 1.487 1.00 0.00 H new ATOM 0 HE2 LYS A 8 17.786 -11.096 1.673 1.00 0.00 H new ATOM 0 HE3 LYS A 8 17.790 -10.276 0.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 16.906 -12.054 -0.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 18.163 -13.055 -0.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 16.795 -12.800 0.696 1.00 0.00 H new ATOM 117 N THR A 9 21.796 -11.608 4.082 1.00 0.00 N ATOM 118 CA THR A 9 22.738 -12.281 4.967 1.00 0.00 C ATOM 119 C THR A 9 23.526 -13.351 4.219 1.00 0.00 C ATOM 120 O THR A 9 23.453 -14.534 4.550 1.00 0.00 O ATOM 121 CB THR A 9 22.019 -12.932 6.163 1.00 0.00 C ATOM 122 OG1 THR A 9 20.889 -12.141 6.545 1.00 0.00 O ATOM 123 CG2 THR A 9 22.964 -13.081 7.347 1.00 0.00 C ATOM 0 H THR A 9 21.114 -12.227 3.643 1.00 0.00 H new ATOM 0 HA THR A 9 23.424 -11.519 5.336 1.00 0.00 H new ATOM 0 HB THR A 9 21.682 -13.923 5.860 1.00 0.00 H new ATOM 0 HG1 THR A 9 20.436 -12.563 7.305 1.00 0.00 H new ATOM 0 HG21 THR A 9 22.434 -13.543 8.180 1.00 0.00 H new ATOM 0 HG22 THR A 9 23.809 -13.708 7.062 1.00 0.00 H new ATOM 0 HG23 THR A 9 23.327 -12.099 7.649 1.00 0.00 H new ATOM 131 N SER A 10 24.279 -12.927 3.209 1.00 0.00 N ATOM 132 CA SER A 10 25.079 -13.850 2.412 1.00 0.00 C ATOM 133 C SER A 10 24.185 -14.813 1.636 1.00 0.00 C ATOM 134 O SER A 10 24.638 -15.853 1.160 1.00 0.00 O ATOM 135 CB SER A 10 26.035 -14.636 3.310 1.00 0.00 C ATOM 136 OG SER A 10 25.592 -15.971 3.482 1.00 0.00 O ATOM 0 H SER A 10 24.352 -11.951 2.923 1.00 0.00 H new ATOM 0 HA SER A 10 25.660 -13.266 1.699 1.00 0.00 H new ATOM 0 HB2 SER A 10 27.033 -14.634 2.873 1.00 0.00 H new ATOM 0 HB3 SER A 10 26.111 -14.147 4.281 1.00 0.00 H new ATOM 0 HG SER A 10 24.723 -15.972 3.936 1.00 0.00 H new ATOM 142 N LYS A 11 22.910 -14.457 1.513 1.00 0.00 N ATOM 143 CA LYS A 11 21.950 -15.287 0.794 1.00 0.00 C ATOM 144 C LYS A 11 22.488 -15.676 -0.579 1.00 0.00 C ATOM 145 O LYS A 11 22.138 -16.726 -1.120 1.00 0.00 O ATOM 146 CB LYS A 11 20.620 -14.547 0.641 1.00 0.00 C ATOM 147 CG LYS A 11 19.434 -15.301 1.218 1.00 0.00 C ATOM 148 CD LYS A 11 19.526 -15.412 2.731 1.00 0.00 C ATOM 149 CE LYS A 11 19.506 -16.863 3.186 1.00 0.00 C ATOM 150 NZ LYS A 11 18.131 -17.315 3.539 1.00 0.00 N ATOM 0 H LYS A 11 22.518 -13.599 1.902 1.00 0.00 H new ATOM 0 HA LYS A 11 21.789 -16.197 1.373 1.00 0.00 H new ATOM 0 HB2 LYS A 11 20.696 -13.576 1.131 1.00 0.00 H new ATOM 0 HB3 LYS A 11 20.439 -14.357 -0.417 1.00 0.00 H new ATOM 0 HG2 LYS A 11 18.510 -14.791 0.945 1.00 0.00 H new ATOM 0 HG3 LYS A 11 19.389 -16.299 0.781 1.00 0.00 H new ATOM 0 HD2 LYS A 11 20.442 -14.934 3.077 1.00 0.00 H new ATOM 0 HD3 LYS A 11 18.694 -14.875 3.187 1.00 0.00 H new ATOM 0 HE2 LYS A 11 19.905 -17.497 2.394 1.00 0.00 H new ATOM 0 HE3 LYS A 11 20.160 -16.982 4.050 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 18.160 -18.309 3.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 17.760 -16.726 4.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 17.512 -17.226 2.708 1.00 0.00 H new ATOM 164 N THR A 12 23.343 -14.826 -1.138 1.00 0.00 N ATOM 165 CA THR A 12 23.930 -15.081 -2.447 1.00 0.00 C ATOM 166 C THR A 12 25.437 -14.853 -2.428 1.00 0.00 C ATOM 167 O THR A 12 26.047 -14.585 -3.464 1.00 0.00 O ATOM 168 CB THR A 12 23.300 -14.184 -3.530 1.00 0.00 C ATOM 169 OG1 THR A 12 23.439 -12.806 -3.166 1.00 0.00 O ATOM 170 CG2 THR A 12 21.828 -14.518 -3.719 1.00 0.00 C ATOM 0 H THR A 12 23.645 -13.954 -0.704 1.00 0.00 H new ATOM 0 HA THR A 12 23.726 -16.125 -2.686 1.00 0.00 H new ATOM 0 HB THR A 12 23.821 -14.365 -4.470 1.00 0.00 H new ATOM 0 HG1 THR A 12 23.660 -12.278 -3.962 1.00 0.00 H new ATOM 0 HG21 THR A 12 21.404 -13.872 -4.488 1.00 0.00 H new ATOM 0 HG22 THR A 12 21.727 -15.560 -4.024 1.00 0.00 H new ATOM 0 HG23 THR A 12 21.296 -14.362 -2.781 1.00 0.00 H new ATOM 178 N TYR A 13 26.032 -14.962 -1.246 1.00 0.00 N ATOM 179 CA TYR A 13 27.469 -14.765 -1.093 1.00 0.00 C ATOM 180 C TYR A 13 28.133 -16.020 -0.534 1.00 0.00 C ATOM 181 O TYR A 13 29.338 -16.039 -0.283 1.00 0.00 O ATOM 182 CB TYR A 13 27.747 -13.575 -0.173 1.00 0.00 C ATOM 183 CG TYR A 13 29.176 -13.084 -0.234 1.00 0.00 C ATOM 184 CD1 TYR A 13 29.749 -12.702 -1.441 1.00 0.00 C ATOM 185 CD2 TYR A 13 29.953 -13.002 0.915 1.00 0.00 C ATOM 186 CE1 TYR A 13 31.054 -12.253 -1.501 1.00 0.00 C ATOM 187 CE2 TYR A 13 31.258 -12.553 0.864 1.00 0.00 C ATOM 188 CZ TYR A 13 31.804 -12.180 -0.346 1.00 0.00 C ATOM 189 OH TYR A 13 33.105 -11.734 -0.402 1.00 0.00 O ATOM 0 H TYR A 13 25.542 -15.186 -0.380 1.00 0.00 H new ATOM 0 HA TYR A 13 27.889 -14.560 -2.078 1.00 0.00 H new ATOM 0 HB2 TYR A 13 27.079 -12.756 -0.440 1.00 0.00 H new ATOM 0 HB3 TYR A 13 27.512 -13.857 0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 13 29.164 -12.757 -2.347 1.00 0.00 H new ATOM 0 HD2 TYR A 13 29.529 -13.294 1.864 1.00 0.00 H new ATOM 0 HE1 TYR A 13 31.485 -11.961 -2.447 1.00 0.00 H new ATOM 0 HE2 TYR A 13 31.848 -12.494 1.767 1.00 0.00 H new ATOM 0 HH TYR A 13 33.714 -12.502 -0.403 1.00 0.00 H new ATOM 199 N SER A 14 27.338 -17.068 -0.344 1.00 0.00 N ATOM 200 CA SER A 14 27.847 -18.327 0.187 1.00 0.00 C ATOM 201 C SER A 14 29.167 -18.704 -0.479 1.00 0.00 C ATOM 202 O SER A 14 29.201 -19.065 -1.655 1.00 0.00 O ATOM 203 CB SER A 14 26.822 -19.444 -0.018 1.00 0.00 C ATOM 204 OG SER A 14 27.007 -20.486 0.923 1.00 0.00 O ATOM 0 H SER A 14 26.339 -17.070 -0.550 1.00 0.00 H new ATOM 0 HA SER A 14 28.023 -18.197 1.255 1.00 0.00 H new ATOM 0 HB2 SER A 14 25.815 -19.039 0.077 1.00 0.00 H new ATOM 0 HB3 SER A 14 26.911 -19.843 -1.029 1.00 0.00 H new ATOM 0 HG SER A 14 26.338 -21.186 0.771 1.00 0.00 H new ATOM 210 N GLY A 15 30.253 -18.617 0.282 1.00 0.00 N ATOM 211 CA GLY A 15 31.561 -18.952 -0.250 1.00 0.00 C ATOM 212 C GLY A 15 32.659 -18.070 0.311 1.00 0.00 C ATOM 213 O GLY A 15 32.542 -17.551 1.422 1.00 0.00 O ATOM 0 H GLY A 15 30.251 -18.320 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 15 31.786 -19.994 -0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 15 31.543 -18.858 -1.336 1.00 0.00 H new ATOM 217 N LYS A 16 33.730 -17.901 -0.456 1.00 0.00 N ATOM 218 CA LYS A 16 34.855 -17.077 -0.030 1.00 0.00 C ATOM 219 C LYS A 16 34.379 -15.701 0.427 1.00 0.00 C ATOM 220 O LYS A 16 33.781 -14.952 -0.346 1.00 0.00 O ATOM 221 CB LYS A 16 35.865 -16.926 -1.170 1.00 0.00 C ATOM 222 CG LYS A 16 35.275 -16.312 -2.428 1.00 0.00 C ATOM 223 CD LYS A 16 35.560 -17.167 -3.651 1.00 0.00 C ATOM 224 CE LYS A 16 35.219 -16.429 -4.937 1.00 0.00 C ATOM 225 NZ LYS A 16 36.437 -15.909 -5.618 1.00 0.00 N ATOM 0 H LYS A 16 33.843 -18.324 -1.377 1.00 0.00 H new ATOM 0 HA LYS A 16 35.338 -17.574 0.811 1.00 0.00 H new ATOM 0 HB2 LYS A 16 36.695 -16.308 -0.829 1.00 0.00 H new ATOM 0 HB3 LYS A 16 36.276 -17.906 -1.412 1.00 0.00 H new ATOM 0 HG2 LYS A 16 34.198 -16.196 -2.307 1.00 0.00 H new ATOM 0 HG3 LYS A 16 35.689 -15.314 -2.576 1.00 0.00 H new ATOM 0 HD2 LYS A 16 36.612 -17.451 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 16 34.982 -18.089 -3.595 1.00 0.00 H new ATOM 0 HE2 LYS A 16 34.685 -17.100 -5.610 1.00 0.00 H new ATOM 0 HE3 LYS A 16 34.547 -15.601 -4.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 36.162 -15.413 -6.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 36.933 -15.249 -4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 37.067 -16.702 -5.855 1.00 0.00 H new ATOM 239 N CYS A 17 34.649 -15.374 1.686 1.00 0.00 N ATOM 240 CA CYS A 17 34.249 -14.089 2.245 1.00 0.00 C ATOM 241 C CYS A 17 35.343 -13.044 2.044 1.00 0.00 C ATOM 242 O CYS A 17 36.489 -13.380 1.743 1.00 0.00 O ATOM 243 CB CYS A 17 33.935 -14.233 3.736 1.00 0.00 C ATOM 244 SG CYS A 17 32.653 -13.088 4.339 1.00 0.00 S ATOM 0 H CYS A 17 35.144 -15.982 2.339 1.00 0.00 H new ATOM 0 HA CYS A 17 33.352 -13.757 1.722 1.00 0.00 H new ATOM 0 HB2 CYS A 17 33.614 -15.256 3.932 1.00 0.00 H new ATOM 0 HB3 CYS A 17 34.850 -14.071 4.306 1.00 0.00 H new ATOM 249 N ASP A 18 34.982 -11.777 2.212 1.00 0.00 N ATOM 250 CA ASP A 18 35.932 -10.683 2.050 1.00 0.00 C ATOM 251 C ASP A 18 35.261 -9.338 2.310 1.00 0.00 C ATOM 252 O ASP A 18 34.130 -9.280 2.789 1.00 0.00 O ATOM 253 CB ASP A 18 36.532 -10.704 0.643 1.00 0.00 C ATOM 254 CG ASP A 18 38.048 -10.737 0.661 1.00 0.00 C ATOM 255 OD1 ASP A 18 38.616 -11.538 1.432 1.00 0.00 O ATOM 256 OD2 ASP A 18 38.666 -9.961 -0.097 1.00 0.00 O ATOM 0 H ASP A 18 34.038 -11.482 2.460 1.00 0.00 H new ATOM 0 HA ASP A 18 36.731 -10.817 2.779 1.00 0.00 H new ATOM 0 HB2 ASP A 18 36.159 -11.575 0.105 1.00 0.00 H new ATOM 0 HB3 ASP A 18 36.197 -9.823 0.095 1.00 0.00 H new ATOM 261 N ASN A 19 35.968 -8.258 1.990 1.00 0.00 N ATOM 262 CA ASN A 19 35.441 -6.913 2.190 1.00 0.00 C ATOM 263 C ASN A 19 34.817 -6.376 0.906 1.00 0.00 C ATOM 264 O ASN A 19 33.606 -6.167 0.831 1.00 0.00 O ATOM 265 CB ASN A 19 36.553 -5.973 2.662 1.00 0.00 C ATOM 266 CG ASN A 19 37.896 -6.309 2.042 1.00 0.00 C ATOM 267 OD1 ASN A 19 38.540 -7.286 2.423 1.00 0.00 O ATOM 268 ND2 ASN A 19 38.324 -5.497 1.083 1.00 0.00 N ATOM 0 H ASN A 19 36.906 -8.289 1.591 1.00 0.00 H new ATOM 0 HA ASN A 19 34.666 -6.963 2.955 1.00 0.00 H new ATOM 0 HB2 ASN A 19 36.287 -4.946 2.412 1.00 0.00 H new ATOM 0 HB3 ASN A 19 36.634 -6.026 3.748 1.00 0.00 H new ATOM 0 HD21 ASN A 19 39.221 -5.671 0.630 1.00 0.00 H new ATOM 0 HD22 ASN A 19 37.756 -4.699 0.800 1.00 0.00 H new ATOM 275 N LYS A 20 35.651 -6.156 -0.104 1.00 0.00 N ATOM 276 CA LYS A 20 35.183 -5.645 -1.387 1.00 0.00 C ATOM 277 C LYS A 20 34.344 -6.691 -2.115 1.00 0.00 C ATOM 278 O LYS A 20 33.361 -6.362 -2.779 1.00 0.00 O ATOM 279 CB LYS A 20 36.370 -5.231 -2.259 1.00 0.00 C ATOM 280 CG LYS A 20 36.038 -4.136 -3.258 1.00 0.00 C ATOM 281 CD LYS A 20 36.211 -4.617 -4.689 1.00 0.00 C ATOM 282 CE LYS A 20 37.523 -4.130 -5.286 1.00 0.00 C ATOM 283 NZ LYS A 20 38.405 -5.261 -5.685 1.00 0.00 N ATOM 0 H LYS A 20 36.656 -6.324 -0.059 1.00 0.00 H new ATOM 0 HA LYS A 20 34.559 -4.772 -1.196 1.00 0.00 H new ATOM 0 HB2 LYS A 20 37.181 -4.891 -1.616 1.00 0.00 H new ATOM 0 HB3 LYS A 20 36.736 -6.105 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 20 35.011 -3.803 -3.107 1.00 0.00 H new ATOM 0 HG3 LYS A 20 36.682 -3.274 -3.082 1.00 0.00 H new ATOM 0 HD2 LYS A 20 36.181 -5.706 -4.714 1.00 0.00 H new ATOM 0 HD3 LYS A 20 35.379 -4.261 -5.297 1.00 0.00 H new ATOM 0 HE2 LYS A 20 37.317 -3.506 -6.156 1.00 0.00 H new ATOM 0 HE3 LYS A 20 38.042 -3.504 -4.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 39.288 -4.887 -6.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 38.623 -5.842 -4.851 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 37.921 -5.845 -6.397 1.00 0.00 H new ATOM 297 N LYS A 21 34.739 -7.953 -1.986 1.00 0.00 N ATOM 298 CA LYS A 21 34.023 -9.049 -2.629 1.00 0.00 C ATOM 299 C LYS A 21 32.583 -9.125 -2.130 1.00 0.00 C ATOM 300 O LYS A 21 31.653 -9.314 -2.915 1.00 0.00 O ATOM 301 CB LYS A 21 34.736 -10.377 -2.364 1.00 0.00 C ATOM 302 CG LYS A 21 36.102 -10.475 -3.022 1.00 0.00 C ATOM 303 CD LYS A 21 36.012 -10.275 -4.526 1.00 0.00 C ATOM 304 CE LYS A 21 36.304 -8.834 -4.915 1.00 0.00 C ATOM 305 NZ LYS A 21 37.516 -8.726 -5.773 1.00 0.00 N ATOM 0 H LYS A 21 35.552 -8.243 -1.442 1.00 0.00 H new ATOM 0 HA LYS A 21 34.008 -8.860 -3.702 1.00 0.00 H new ATOM 0 HB2 LYS A 21 34.850 -10.511 -1.288 1.00 0.00 H new ATOM 0 HB3 LYS A 21 34.110 -11.194 -2.722 1.00 0.00 H new ATOM 0 HG2 LYS A 21 36.768 -9.726 -2.594 1.00 0.00 H new ATOM 0 HG3 LYS A 21 36.540 -11.450 -2.809 1.00 0.00 H new ATOM 0 HD2 LYS A 21 36.719 -10.938 -5.025 1.00 0.00 H new ATOM 0 HD3 LYS A 21 35.016 -10.552 -4.872 1.00 0.00 H new ATOM 0 HE2 LYS A 21 35.446 -8.420 -5.445 1.00 0.00 H new ATOM 0 HE3 LYS A 21 36.442 -8.236 -4.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 37.859 -7.744 -5.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 38.259 -9.355 -5.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 37.278 -9.004 -6.747 1.00 0.00 H new ATOM 319 N CYS A 22 32.406 -8.975 -0.822 1.00 0.00 N ATOM 320 CA CYS A 22 31.080 -9.025 -0.218 1.00 0.00 C ATOM 321 C CYS A 22 30.250 -7.811 -0.627 1.00 0.00 C ATOM 322 O CYS A 22 29.168 -7.950 -1.197 1.00 0.00 O ATOM 323 CB CYS A 22 31.193 -9.090 1.306 1.00 0.00 C ATOM 324 SG CYS A 22 29.632 -8.754 2.182 1.00 0.00 S ATOM 0 H CYS A 22 33.165 -8.818 -0.159 1.00 0.00 H new ATOM 0 HA CYS A 22 30.578 -9.924 -0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 22 31.552 -10.079 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 22 31.944 -8.372 1.635 1.00 0.00 H new ATOM 329 N ASP A 23 30.765 -6.623 -0.331 1.00 0.00 N ATOM 330 CA ASP A 23 30.073 -5.385 -0.668 1.00 0.00 C ATOM 331 C ASP A 23 29.719 -5.346 -2.151 1.00 0.00 C ATOM 332 O ASP A 23 28.599 -4.996 -2.524 1.00 0.00 O ATOM 333 CB ASP A 23 30.939 -4.177 -0.306 1.00 0.00 C ATOM 334 CG ASP A 23 30.115 -2.933 -0.037 1.00 0.00 C ATOM 335 OD1 ASP A 23 28.888 -2.974 -0.267 1.00 0.00 O ATOM 336 OD2 ASP A 23 30.696 -1.919 0.402 1.00 0.00 O ATOM 0 H ASP A 23 31.659 -6.491 0.142 1.00 0.00 H new ATOM 0 HA ASP A 23 29.149 -5.346 -0.091 1.00 0.00 H new ATOM 0 HB2 ASP A 23 31.535 -4.412 0.576 1.00 0.00 H new ATOM 0 HB3 ASP A 23 31.637 -3.978 -1.119 1.00 0.00 H new ATOM 341 N LYS A 24 30.681 -5.707 -2.993 1.00 0.00 N ATOM 342 CA LYS A 24 30.473 -5.714 -4.436 1.00 0.00 C ATOM 343 C LYS A 24 29.438 -6.764 -4.831 1.00 0.00 C ATOM 344 O LYS A 24 28.485 -6.470 -5.553 1.00 0.00 O ATOM 345 CB LYS A 24 31.793 -5.986 -5.162 1.00 0.00 C ATOM 346 CG LYS A 24 31.631 -6.211 -6.655 1.00 0.00 C ATOM 347 CD LYS A 24 32.972 -6.425 -7.335 1.00 0.00 C ATOM 348 CE LYS A 24 32.867 -7.431 -8.471 1.00 0.00 C ATOM 349 NZ LYS A 24 33.634 -6.995 -9.671 1.00 0.00 N ATOM 0 H LYS A 24 31.614 -5.999 -2.700 1.00 0.00 H new ATOM 0 HA LYS A 24 30.100 -4.732 -4.729 1.00 0.00 H new ATOM 0 HB2 LYS A 24 32.467 -5.144 -5.001 1.00 0.00 H new ATOM 0 HB3 LYS A 24 32.267 -6.863 -4.720 1.00 0.00 H new ATOM 0 HG2 LYS A 24 30.993 -7.078 -6.826 1.00 0.00 H new ATOM 0 HG3 LYS A 24 31.129 -5.352 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 24 33.341 -5.475 -7.722 1.00 0.00 H new ATOM 0 HD3 LYS A 24 33.700 -6.775 -6.604 1.00 0.00 H new ATOM 0 HE2 LYS A 24 33.239 -8.399 -8.134 1.00 0.00 H new ATOM 0 HE3 LYS A 24 31.819 -7.568 -8.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 33.537 -7.707 -10.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 33.263 -6.084 -10.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 34.638 -6.889 -9.422 1.00 0.00 H new ATOM 363 N LYS A 25 29.632 -7.988 -4.352 1.00 0.00 N ATOM 364 CA LYS A 25 28.715 -9.081 -4.652 1.00 0.00 C ATOM 365 C LYS A 25 27.313 -8.773 -4.136 1.00 0.00 C ATOM 366 O LYS A 25 26.328 -9.343 -4.605 1.00 0.00 O ATOM 367 CB LYS A 25 29.223 -10.385 -4.032 1.00 0.00 C ATOM 368 CG LYS A 25 28.488 -11.619 -4.524 1.00 0.00 C ATOM 369 CD LYS A 25 29.454 -12.692 -4.997 1.00 0.00 C ATOM 370 CE LYS A 25 28.903 -13.451 -6.194 1.00 0.00 C ATOM 371 NZ LYS A 25 29.878 -14.448 -6.716 1.00 0.00 N ATOM 0 H LYS A 25 30.416 -8.248 -3.754 1.00 0.00 H new ATOM 0 HA LYS A 25 28.667 -9.195 -5.735 1.00 0.00 H new ATOM 0 HB2 LYS A 25 30.285 -10.493 -4.253 1.00 0.00 H new ATOM 0 HB3 LYS A 25 29.127 -10.324 -2.948 1.00 0.00 H new ATOM 0 HG2 LYS A 25 27.865 -12.016 -3.722 1.00 0.00 H new ATOM 0 HG3 LYS A 25 27.820 -11.344 -5.340 1.00 0.00 H new ATOM 0 HD2 LYS A 25 30.407 -12.234 -5.263 1.00 0.00 H new ATOM 0 HD3 LYS A 25 29.652 -13.389 -4.183 1.00 0.00 H new ATOM 0 HE2 LYS A 25 27.982 -13.959 -5.909 1.00 0.00 H new ATOM 0 HE3 LYS A 25 28.647 -12.746 -6.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 29.465 -14.944 -7.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 30.748 -13.961 -7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 30.104 -15.137 -5.970 1.00 0.00 H new ATOM 385 N CYS A 26 27.230 -7.866 -3.168 1.00 0.00 N ATOM 386 CA CYS A 26 25.949 -7.480 -2.589 1.00 0.00 C ATOM 387 C CYS A 26 25.154 -6.610 -3.558 1.00 0.00 C ATOM 388 O CYS A 26 23.999 -6.904 -3.868 1.00 0.00 O ATOM 389 CB CYS A 26 26.166 -6.730 -1.273 1.00 0.00 C ATOM 390 SG CYS A 26 26.431 -7.815 0.166 1.00 0.00 S ATOM 0 H CYS A 26 28.035 -7.385 -2.768 1.00 0.00 H new ATOM 0 HA CYS A 26 25.379 -8.388 -2.392 1.00 0.00 H new ATOM 0 HB2 CYS A 26 27.027 -6.070 -1.381 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.301 -6.096 -1.082 1.00 0.00 H new ATOM 395 N ILE A 27 25.780 -5.538 -4.033 1.00 0.00 N ATOM 396 CA ILE A 27 25.132 -4.626 -4.967 1.00 0.00 C ATOM 397 C ILE A 27 25.133 -5.196 -6.381 1.00 0.00 C ATOM 398 O ILE A 27 24.380 -4.745 -7.243 1.00 0.00 O ATOM 399 CB ILE A 27 25.821 -3.249 -4.980 1.00 0.00 C ATOM 400 CG1 ILE A 27 26.037 -2.750 -3.550 1.00 0.00 C ATOM 401 CG2 ILE A 27 24.995 -2.251 -5.776 1.00 0.00 C ATOM 402 CD1 ILE A 27 27.489 -2.488 -3.214 1.00 0.00 C ATOM 0 H ILE A 27 26.735 -5.280 -3.786 1.00 0.00 H new ATOM 0 HA ILE A 27 24.103 -4.505 -4.627 1.00 0.00 H new ATOM 0 HB ILE A 27 26.794 -3.350 -5.461 1.00 0.00 H new ATOM 0 HG12 ILE A 27 25.467 -1.832 -3.404 1.00 0.00 H new ATOM 0 HG13 ILE A 27 25.638 -3.487 -2.853 1.00 0.00 H new ATOM 0 HG21 ILE A 27 25.495 -1.283 -5.776 1.00 0.00 H new ATOM 0 HG22 ILE A 27 24.888 -2.604 -6.802 1.00 0.00 H new ATOM 0 HG23 ILE A 27 24.009 -2.150 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 27 27.567 -2.137 -2.185 1.00 0.00 H new ATOM 0 HD12 ILE A 27 28.061 -3.409 -3.327 1.00 0.00 H new ATOM 0 HD13 ILE A 27 27.887 -1.729 -3.887 1.00 0.00 H new ATOM 414 N GLU A 28 25.983 -6.192 -6.612 1.00 0.00 N ATOM 415 CA GLU A 28 26.082 -6.824 -7.922 1.00 0.00 C ATOM 416 C GLU A 28 24.994 -7.879 -8.100 1.00 0.00 C ATOM 417 O GLU A 28 24.359 -7.961 -9.152 1.00 0.00 O ATOM 418 CB GLU A 28 27.461 -7.462 -8.103 1.00 0.00 C ATOM 419 CG GLU A 28 28.540 -6.472 -8.507 1.00 0.00 C ATOM 420 CD GLU A 28 28.995 -6.657 -9.942 1.00 0.00 C ATOM 421 OE1 GLU A 28 29.746 -7.619 -10.206 1.00 0.00 O ATOM 422 OE2 GLU A 28 28.599 -5.841 -10.801 1.00 0.00 O ATOM 0 H GLU A 28 26.613 -6.578 -5.909 1.00 0.00 H new ATOM 0 HA GLU A 28 25.945 -6.053 -8.680 1.00 0.00 H new ATOM 0 HB2 GLU A 28 27.754 -7.946 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 28 27.394 -8.243 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 28 28.164 -5.457 -8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 28 29.396 -6.582 -7.841 1.00 0.00 H new ATOM 429 N TRP A 29 24.785 -8.685 -7.065 1.00 0.00 N ATOM 430 CA TRP A 29 23.775 -9.736 -7.106 1.00 0.00 C ATOM 431 C TRP A 29 22.539 -9.335 -6.307 1.00 0.00 C ATOM 432 O TRP A 29 21.416 -9.417 -6.803 1.00 0.00 O ATOM 433 CB TRP A 29 24.348 -11.045 -6.560 1.00 0.00 C ATOM 434 CG TRP A 29 25.306 -11.712 -7.500 1.00 0.00 C ATOM 435 CD1 TRP A 29 26.207 -11.099 -8.324 1.00 0.00 C ATOM 436 CD2 TRP A 29 25.457 -13.119 -7.714 1.00 0.00 C ATOM 437 NE1 TRP A 29 26.909 -12.041 -9.037 1.00 0.00 N ATOM 438 CE2 TRP A 29 26.468 -13.288 -8.680 1.00 0.00 C ATOM 439 CE3 TRP A 29 24.838 -14.254 -7.182 1.00 0.00 C ATOM 440 CZ2 TRP A 29 26.871 -14.544 -9.124 1.00 0.00 C ATOM 441 CZ3 TRP A 29 25.239 -15.500 -7.624 1.00 0.00 C ATOM 442 CH2 TRP A 29 26.248 -15.638 -8.587 1.00 0.00 C ATOM 0 H TRP A 29 25.302 -8.631 -6.187 1.00 0.00 H new ATOM 0 HA TRP A 29 23.481 -9.882 -8.145 1.00 0.00 H new ATOM 0 HB2 TRP A 29 24.856 -10.845 -5.616 1.00 0.00 H new ATOM 0 HB3 TRP A 29 23.528 -11.729 -6.342 1.00 0.00 H new ATOM 0 HD1 TRP A 29 26.347 -10.031 -8.403 1.00 0.00 H new ATOM 0 HE1 TRP A 29 27.640 -11.844 -9.721 1.00 0.00 H new ATOM 0 HE3 TRP A 29 24.060 -14.158 -6.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 27.648 -14.652 -9.866 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 24.767 -16.383 -7.220 1.00 0.00 H new ATOM 0 HH2 TRP A 29 26.539 -16.626 -8.911 1.00 0.00 H new ATOM 453 N GLU A 30 22.755 -8.903 -5.069 1.00 0.00 N ATOM 454 CA GLU A 30 21.657 -8.490 -4.203 1.00 0.00 C ATOM 455 C GLU A 30 21.256 -7.045 -4.484 1.00 0.00 C ATOM 456 O GLU A 30 20.291 -6.534 -3.915 1.00 0.00 O ATOM 457 CB GLU A 30 22.052 -8.645 -2.733 1.00 0.00 C ATOM 458 CG GLU A 30 22.976 -9.823 -2.471 1.00 0.00 C ATOM 459 CD GLU A 30 23.236 -10.043 -0.994 1.00 0.00 C ATOM 460 OE1 GLU A 30 23.514 -9.053 -0.285 1.00 0.00 O ATOM 461 OE2 GLU A 30 23.161 -11.207 -0.546 1.00 0.00 O ATOM 0 H GLU A 30 23.679 -8.830 -4.643 1.00 0.00 H new ATOM 0 HA GLU A 30 20.802 -9.133 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 30 22.540 -7.730 -2.398 1.00 0.00 H new ATOM 0 HB3 GLU A 30 21.149 -8.762 -2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 30 22.538 -10.725 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 30 23.924 -9.657 -2.982 1.00 0.00 H new ATOM 468 N LYS A 31 22.004 -6.390 -5.365 1.00 0.00 N ATOM 469 CA LYS A 31 21.729 -5.004 -5.724 1.00 0.00 C ATOM 470 C LYS A 31 21.436 -4.169 -4.482 1.00 0.00 C ATOM 471 O LYS A 31 20.603 -3.263 -4.513 1.00 0.00 O ATOM 472 CB LYS A 31 20.545 -4.932 -6.691 1.00 0.00 C ATOM 473 CG LYS A 31 20.603 -5.965 -7.802 1.00 0.00 C ATOM 474 CD LYS A 31 21.941 -5.934 -8.522 1.00 0.00 C ATOM 475 CE LYS A 31 22.211 -4.569 -9.138 1.00 0.00 C ATOM 476 NZ LYS A 31 21.098 -4.130 -10.024 1.00 0.00 N ATOM 0 H LYS A 31 22.807 -6.798 -5.844 1.00 0.00 H new ATOM 0 HA LYS A 31 22.615 -4.598 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 31 19.620 -5.066 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 31 20.508 -3.937 -7.134 1.00 0.00 H new ATOM 0 HG2 LYS A 31 20.436 -6.958 -7.386 1.00 0.00 H new ATOM 0 HG3 LYS A 31 19.800 -5.779 -8.516 1.00 0.00 H new ATOM 0 HD2 LYS A 31 22.738 -6.182 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 31 21.953 -6.695 -9.302 1.00 0.00 H new ATOM 0 HE2 LYS A 31 22.355 -3.835 -8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 31 23.138 -4.606 -9.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 21.401 -3.304 -10.579 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 20.841 -4.905 -10.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 20.273 -3.874 -9.444 1.00 0.00 H new ATOM 490 N ALA A 32 22.127 -4.478 -3.389 1.00 0.00 N ATOM 491 CA ALA A 32 21.943 -3.753 -2.138 1.00 0.00 C ATOM 492 C ALA A 32 22.666 -2.411 -2.170 1.00 0.00 C ATOM 493 O ALA A 32 23.152 -1.983 -3.217 1.00 0.00 O ATOM 494 CB ALA A 32 22.434 -4.591 -0.966 1.00 0.00 C ATOM 0 H ALA A 32 22.819 -5.226 -3.345 1.00 0.00 H new ATOM 0 HA ALA A 32 20.878 -3.559 -2.012 1.00 0.00 H new ATOM 0 HB1 ALA A 32 22.291 -4.038 -0.038 1.00 0.00 H new ATOM 0 HB2 ALA A 32 21.870 -5.523 -0.924 1.00 0.00 H new ATOM 0 HB3 ALA A 32 23.493 -4.813 -1.096 1.00 0.00 H new ATOM 500 N GLN A 33 22.732 -1.752 -1.018 1.00 0.00 N ATOM 501 CA GLN A 33 23.394 -0.456 -0.916 1.00 0.00 C ATOM 502 C GLN A 33 24.798 -0.607 -0.341 1.00 0.00 C ATOM 503 O GLN A 33 25.761 -0.055 -0.876 1.00 0.00 O ATOM 504 CB GLN A 33 22.572 0.493 -0.043 1.00 0.00 C ATOM 505 CG GLN A 33 22.243 1.813 -0.722 1.00 0.00 C ATOM 506 CD GLN A 33 22.833 3.005 0.004 1.00 0.00 C ATOM 507 OE1 GLN A 33 23.992 2.982 0.420 1.00 0.00 O ATOM 508 NE2 GLN A 33 22.038 4.057 0.161 1.00 0.00 N ATOM 0 H GLN A 33 22.336 -2.093 -0.142 1.00 0.00 H new ATOM 0 HA GLN A 33 23.474 -0.037 -1.919 1.00 0.00 H new ATOM 0 HB2 GLN A 33 21.643 -0.001 0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 33 23.121 0.694 0.877 1.00 0.00 H new ATOM 0 HG2 GLN A 33 22.617 1.794 -1.746 1.00 0.00 H new ATOM 0 HG3 GLN A 33 21.161 1.927 -0.781 1.00 0.00 H new ATOM 0 HE21 GLN A 33 21.084 4.034 -0.199 1.00 0.00 H new ATOM 0 HE22 GLN A 33 22.381 4.888 0.642 1.00 0.00 H new ATOM 517 N HIS A 34 24.909 -1.357 0.751 1.00 0.00 N ATOM 518 CA HIS A 34 26.196 -1.580 1.398 1.00 0.00 C ATOM 519 C HIS A 34 26.272 -2.986 1.987 1.00 0.00 C ATOM 520 O HIS A 34 25.263 -3.545 2.416 1.00 0.00 O ATOM 521 CB HIS A 34 26.426 -0.541 2.496 1.00 0.00 C ATOM 522 CG HIS A 34 27.873 -0.243 2.744 1.00 0.00 C ATOM 523 ND1 HIS A 34 28.639 -0.940 3.654 1.00 0.00 N ATOM 524 CD2 HIS A 34 28.693 0.683 2.195 1.00 0.00 C ATOM 525 CE1 HIS A 34 29.868 -0.454 3.655 1.00 0.00 C ATOM 526 NE2 HIS A 34 29.927 0.532 2.777 1.00 0.00 N ATOM 0 H HIS A 34 24.123 -1.820 1.206 1.00 0.00 H new ATOM 0 HA HIS A 34 26.976 -1.479 0.644 1.00 0.00 H new ATOM 0 HB2 HIS A 34 25.915 0.382 2.224 1.00 0.00 H new ATOM 0 HB3 HIS A 34 25.973 -0.896 3.422 1.00 0.00 H new ATOM 0 HD2 HIS A 34 28.426 1.407 1.439 1.00 0.00 H new ATOM 0 HE1 HIS A 34 30.685 -0.803 4.269 1.00 0.00 H new ATOM 0 HE2 HIS A 34 30.755 1.090 2.566 1.00 0.00 H new ATOM 534 N GLY A 35 27.475 -3.551 2.004 1.00 0.00 N ATOM 535 CA GLY A 35 27.659 -4.887 2.542 1.00 0.00 C ATOM 536 C GLY A 35 28.944 -5.020 3.334 1.00 0.00 C ATOM 537 O GLY A 35 29.886 -4.253 3.137 1.00 0.00 O ATOM 0 H GLY A 35 28.325 -3.108 1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.813 -5.137 3.183 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.664 -5.607 1.724 1.00 0.00 H new ATOM 541 N ALA A 36 28.983 -5.997 4.235 1.00 0.00 N ATOM 542 CA ALA A 36 30.163 -6.228 5.060 1.00 0.00 C ATOM 543 C ALA A 36 30.275 -7.696 5.457 1.00 0.00 C ATOM 544 O ALA A 36 29.283 -8.426 5.463 1.00 0.00 O ATOM 545 CB ALA A 36 30.122 -5.346 6.299 1.00 0.00 C ATOM 0 H ALA A 36 28.212 -6.641 4.412 1.00 0.00 H new ATOM 0 HA ALA A 36 31.044 -5.969 4.472 1.00 0.00 H new ATOM 0 HB1 ALA A 36 31.009 -5.529 6.905 1.00 0.00 H new ATOM 0 HB2 ALA A 36 30.097 -4.298 5.999 1.00 0.00 H new ATOM 0 HB3 ALA A 36 29.230 -5.578 6.881 1.00 0.00 H new ATOM 551 N CYS A 37 31.489 -8.124 5.789 1.00 0.00 N ATOM 552 CA CYS A 37 31.731 -9.505 6.187 1.00 0.00 C ATOM 553 C CYS A 37 32.364 -9.568 7.574 1.00 0.00 C ATOM 554 O CYS A 37 33.230 -8.760 7.911 1.00 0.00 O ATOM 555 CB CYS A 37 32.638 -10.199 5.169 1.00 0.00 C ATOM 556 SG CYS A 37 33.260 -11.823 5.712 1.00 0.00 S ATOM 0 H CYS A 37 32.321 -7.533 5.790 1.00 0.00 H new ATOM 0 HA CYS A 37 30.771 -10.021 6.221 1.00 0.00 H new ATOM 0 HB2 CYS A 37 32.089 -10.326 4.236 1.00 0.00 H new ATOM 0 HB3 CYS A 37 33.487 -9.550 4.953 1.00 0.00 H new ATOM 561 N HIS A 38 31.925 -10.534 8.375 1.00 0.00 N ATOM 562 CA HIS A 38 32.449 -10.704 9.726 1.00 0.00 C ATOM 563 C HIS A 38 32.491 -12.180 10.110 1.00 0.00 C ATOM 564 O HIS A 38 31.686 -12.980 9.634 1.00 0.00 O ATOM 565 CB HIS A 38 31.594 -9.929 10.728 1.00 0.00 C ATOM 566 CG HIS A 38 32.286 -9.669 12.031 1.00 0.00 C ATOM 567 ND1 HIS A 38 33.603 -9.272 12.117 1.00 0.00 N ATOM 568 CD2 HIS A 38 31.834 -9.751 13.305 1.00 0.00 C ATOM 569 CE1 HIS A 38 33.933 -9.121 13.388 1.00 0.00 C ATOM 570 NE2 HIS A 38 32.877 -9.406 14.129 1.00 0.00 N ATOM 0 H HIS A 38 31.208 -11.211 8.112 1.00 0.00 H new ATOM 0 HA HIS A 38 33.466 -10.312 9.747 1.00 0.00 H new ATOM 0 HB2 HIS A 38 31.302 -8.977 10.285 1.00 0.00 H new ATOM 0 HB3 HIS A 38 30.677 -10.486 10.918 1.00 0.00 H new ATOM 0 HD2 HIS A 38 30.839 -10.035 13.615 1.00 0.00 H new ATOM 0 HE1 HIS A 38 34.901 -8.817 13.758 1.00 0.00 H new ATOM 0 HE2 HIS A 38 32.842 -9.375 15.148 1.00 0.00 H new ATOM 578 N LYS A 39 33.436 -12.534 10.975 1.00 0.00 N ATOM 579 CA LYS A 39 33.585 -13.913 11.424 1.00 0.00 C ATOM 580 C LYS A 39 32.744 -14.173 12.671 1.00 0.00 C ATOM 581 O LYS A 39 32.796 -13.410 13.635 1.00 0.00 O ATOM 582 CB LYS A 39 35.055 -14.221 11.715 1.00 0.00 C ATOM 583 CG LYS A 39 35.613 -13.460 12.905 1.00 0.00 C ATOM 584 CD LYS A 39 35.703 -14.343 14.139 1.00 0.00 C ATOM 585 CE LYS A 39 36.594 -13.723 15.204 1.00 0.00 C ATOM 586 NZ LYS A 39 36.003 -12.476 15.765 1.00 0.00 N ATOM 0 H LYS A 39 34.110 -11.884 11.379 1.00 0.00 H new ATOM 0 HA LYS A 39 33.234 -14.568 10.627 1.00 0.00 H new ATOM 0 HB2 LYS A 39 35.164 -15.290 11.895 1.00 0.00 H new ATOM 0 HB3 LYS A 39 35.649 -13.984 10.832 1.00 0.00 H new ATOM 0 HG2 LYS A 39 36.602 -13.074 12.660 1.00 0.00 H new ATOM 0 HG3 LYS A 39 34.979 -12.599 13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 39 34.705 -14.503 14.546 1.00 0.00 H new ATOM 0 HD3 LYS A 39 36.094 -15.321 13.860 1.00 0.00 H new ATOM 0 HE2 LYS A 39 36.754 -14.442 16.007 1.00 0.00 H new ATOM 0 HE3 LYS A 39 37.571 -13.501 14.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 36.640 -12.084 16.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 35.874 -11.780 15.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 35.082 -12.692 16.197 1.00 0.00 H new ATOM 600 N ARG A 40 31.973 -15.255 12.644 1.00 0.00 N ATOM 601 CA ARG A 40 31.122 -15.614 13.772 1.00 0.00 C ATOM 602 C ARG A 40 30.916 -17.125 13.838 1.00 0.00 C ATOM 603 O ARG A 40 31.245 -17.847 12.897 1.00 0.00 O ATOM 604 CB ARG A 40 29.769 -14.909 13.663 1.00 0.00 C ATOM 605 CG ARG A 40 29.700 -13.601 14.435 1.00 0.00 C ATOM 606 CD ARG A 40 29.765 -13.837 15.936 1.00 0.00 C ATOM 607 NE ARG A 40 30.585 -12.834 16.612 1.00 0.00 N ATOM 608 CZ ARG A 40 30.236 -11.558 16.730 1.00 0.00 C ATOM 609 NH1 ARG A 40 29.089 -11.131 16.222 1.00 0.00 N ATOM 610 NH2 ARG A 40 31.035 -10.706 17.360 1.00 0.00 N ATOM 0 H ARG A 40 31.920 -15.898 11.854 1.00 0.00 H new ATOM 0 HA ARG A 40 31.619 -15.291 14.687 1.00 0.00 H new ATOM 0 HB2 ARG A 40 29.555 -14.713 12.612 1.00 0.00 H new ATOM 0 HB3 ARG A 40 28.990 -15.578 14.028 1.00 0.00 H new ATOM 0 HG2 ARG A 40 30.523 -12.954 14.131 1.00 0.00 H new ATOM 0 HG3 ARG A 40 28.776 -13.079 14.187 1.00 0.00 H new ATOM 0 HD2 ARG A 40 28.757 -13.820 16.350 1.00 0.00 H new ATOM 0 HD3 ARG A 40 30.172 -14.829 16.130 1.00 0.00 H new ATOM 0 HE ARG A 40 31.474 -13.130 17.015 1.00 0.00 H new ATOM 0 HH11 ARG A 40 28.471 -11.783 15.739 1.00 0.00 H new ATOM 0 HH12 ARG A 40 28.824 -10.150 16.314 1.00 0.00 H new ATOM 0 HH21 ARG A 40 31.918 -11.031 17.754 1.00 0.00 H new ATOM 0 HH22 ARG A 40 30.766 -9.726 17.450 1.00 0.00 H new ATOM 624 N GLU A 41 30.370 -17.594 14.955 1.00 0.00 N ATOM 625 CA GLU A 41 30.122 -19.019 15.143 1.00 0.00 C ATOM 626 C GLU A 41 31.366 -19.837 14.806 1.00 0.00 C ATOM 627 O GLU A 41 31.535 -20.290 13.674 1.00 0.00 O ATOM 628 CB GLU A 41 28.948 -19.474 14.274 1.00 0.00 C ATOM 629 CG GLU A 41 27.616 -18.871 14.687 1.00 0.00 C ATOM 630 CD GLU A 41 26.741 -18.518 13.500 1.00 0.00 C ATOM 631 OE1 GLU A 41 27.094 -17.572 12.764 1.00 0.00 O ATOM 632 OE2 GLU A 41 25.705 -19.187 13.305 1.00 0.00 O ATOM 0 H GLU A 41 30.091 -17.009 15.743 1.00 0.00 H new ATOM 0 HA GLU A 41 29.873 -19.183 16.191 1.00 0.00 H new ATOM 0 HB2 GLU A 41 29.151 -19.209 13.236 1.00 0.00 H new ATOM 0 HB3 GLU A 41 28.874 -20.561 14.317 1.00 0.00 H new ATOM 0 HG2 GLU A 41 27.086 -19.576 15.327 1.00 0.00 H new ATOM 0 HG3 GLU A 41 27.796 -17.974 15.280 1.00 0.00 H new ATOM 639 N ALA A 42 32.233 -20.020 15.796 1.00 0.00 N ATOM 640 CA ALA A 42 33.460 -20.784 15.605 1.00 0.00 C ATOM 641 C ALA A 42 34.379 -20.103 14.597 1.00 0.00 C ATOM 642 O ALA A 42 35.312 -19.394 14.973 1.00 0.00 O ATOM 643 CB ALA A 42 33.135 -22.200 15.154 1.00 0.00 C ATOM 0 H ALA A 42 32.109 -19.650 16.738 1.00 0.00 H new ATOM 0 HA ALA A 42 33.983 -20.830 16.560 1.00 0.00 H new ATOM 0 HB1 ALA A 42 34.060 -22.759 15.015 1.00 0.00 H new ATOM 0 HB2 ALA A 42 32.524 -22.692 15.911 1.00 0.00 H new ATOM 0 HB3 ALA A 42 32.587 -22.165 14.212 1.00 0.00 H new ATOM 649 N GLY A 43 34.110 -20.323 13.314 1.00 0.00 N ATOM 650 CA GLY A 43 34.923 -19.724 12.272 1.00 0.00 C ATOM 651 C GLY A 43 34.159 -19.536 10.976 1.00 0.00 C ATOM 652 O GLY A 43 34.739 -19.588 9.891 1.00 0.00 O ATOM 0 H GLY A 43 33.343 -20.906 12.977 1.00 0.00 H new ATOM 0 HA2 GLY A 43 35.294 -18.758 12.615 1.00 0.00 H new ATOM 0 HA3 GLY A 43 35.794 -20.353 12.089 1.00 0.00 H new ATOM 656 N LYS A 44 32.853 -19.319 11.088 1.00 0.00 N ATOM 657 CA LYS A 44 32.007 -19.123 9.917 1.00 0.00 C ATOM 658 C LYS A 44 31.747 -17.640 9.675 1.00 0.00 C ATOM 659 O LYS A 44 31.063 -16.985 10.461 1.00 0.00 O ATOM 660 CB LYS A 44 30.678 -19.863 10.093 1.00 0.00 C ATOM 661 CG LYS A 44 30.841 -21.326 10.464 1.00 0.00 C ATOM 662 CD LYS A 44 29.922 -21.717 11.610 1.00 0.00 C ATOM 663 CE LYS A 44 30.583 -22.727 12.535 1.00 0.00 C ATOM 664 NZ LYS A 44 29.901 -24.050 12.489 1.00 0.00 N ATOM 0 H LYS A 44 32.357 -19.274 11.978 1.00 0.00 H new ATOM 0 HA LYS A 44 32.530 -19.528 9.050 1.00 0.00 H new ATOM 0 HB2 LYS A 44 30.094 -19.364 10.866 1.00 0.00 H new ATOM 0 HB3 LYS A 44 30.107 -19.793 9.167 1.00 0.00 H new ATOM 0 HG2 LYS A 44 30.626 -21.949 9.596 1.00 0.00 H new ATOM 0 HG3 LYS A 44 31.876 -21.518 10.745 1.00 0.00 H new ATOM 0 HD2 LYS A 44 29.648 -20.828 12.177 1.00 0.00 H new ATOM 0 HD3 LYS A 44 28.999 -22.138 11.210 1.00 0.00 H new ATOM 0 HE2 LYS A 44 31.629 -22.848 12.253 1.00 0.00 H new ATOM 0 HE3 LYS A 44 30.570 -22.347 13.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 30.381 -24.711 13.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 28.909 -23.940 12.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 29.936 -24.425 11.520 1.00 0.00 H new ATOM 678 N GLU A 45 32.296 -17.117 8.583 1.00 0.00 N ATOM 679 CA GLU A 45 32.122 -15.711 8.239 1.00 0.00 C ATOM 680 C GLU A 45 30.818 -15.495 7.476 1.00 0.00 C ATOM 681 O GLU A 45 30.465 -16.277 6.594 1.00 0.00 O ATOM 682 CB GLU A 45 33.303 -15.218 7.401 1.00 0.00 C ATOM 683 CG GLU A 45 34.367 -14.499 8.213 1.00 0.00 C ATOM 684 CD GLU A 45 35.685 -14.380 7.473 1.00 0.00 C ATOM 685 OE1 GLU A 45 35.811 -14.983 6.386 1.00 0.00 O ATOM 686 OE2 GLU A 45 36.590 -13.684 7.979 1.00 0.00 O ATOM 0 H GLU A 45 32.865 -17.646 7.922 1.00 0.00 H new ATOM 0 HA GLU A 45 32.080 -15.139 9.166 1.00 0.00 H new ATOM 0 HB2 GLU A 45 33.758 -16.069 6.894 1.00 0.00 H new ATOM 0 HB3 GLU A 45 32.933 -14.546 6.627 1.00 0.00 H new ATOM 0 HG2 GLU A 45 34.009 -13.503 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 45 34.527 -15.034 9.149 1.00 0.00 H new ATOM 693 N SER A 46 30.105 -14.428 7.824 1.00 0.00 N ATOM 694 CA SER A 46 28.838 -14.111 7.176 1.00 0.00 C ATOM 695 C SER A 46 28.881 -12.719 6.551 1.00 0.00 C ATOM 696 O SER A 46 29.607 -11.840 7.015 1.00 0.00 O ATOM 697 CB SER A 46 27.691 -14.194 8.185 1.00 0.00 C ATOM 698 OG SER A 46 26.435 -14.206 7.528 1.00 0.00 O ATOM 0 H SER A 46 30.383 -13.769 8.551 1.00 0.00 H new ATOM 0 HA SER A 46 28.670 -14.841 6.384 1.00 0.00 H new ATOM 0 HB2 SER A 46 27.798 -15.095 8.789 1.00 0.00 H new ATOM 0 HB3 SER A 46 27.740 -13.345 8.867 1.00 0.00 H new ATOM 0 HG SER A 46 25.718 -14.261 8.194 1.00 0.00 H new ATOM 704 N CYS A 47 28.098 -12.528 5.495 1.00 0.00 N ATOM 705 CA CYS A 47 28.045 -11.245 4.804 1.00 0.00 C ATOM 706 C CYS A 47 26.692 -10.570 5.014 1.00 0.00 C ATOM 707 O CYS A 47 25.656 -11.091 4.601 1.00 0.00 O ATOM 708 CB CYS A 47 28.306 -11.436 3.309 1.00 0.00 C ATOM 709 SG CYS A 47 28.196 -9.902 2.333 1.00 0.00 S ATOM 0 H CYS A 47 27.491 -13.246 5.099 1.00 0.00 H new ATOM 0 HA CYS A 47 28.820 -10.603 5.222 1.00 0.00 H new ATOM 0 HB2 CYS A 47 29.298 -11.868 3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 47 27.589 -12.157 2.915 1.00 0.00 H new ATOM 714 N PHE A 48 26.711 -9.407 5.657 1.00 0.00 N ATOM 715 CA PHE A 48 25.486 -8.661 5.922 1.00 0.00 C ATOM 716 C PHE A 48 25.447 -7.374 5.103 1.00 0.00 C ATOM 717 O PHE A 48 26.375 -6.566 5.150 1.00 0.00 O ATOM 718 CB PHE A 48 25.375 -8.334 7.412 1.00 0.00 C ATOM 719 CG PHE A 48 26.673 -7.894 8.028 1.00 0.00 C ATOM 720 CD1 PHE A 48 27.583 -8.827 8.498 1.00 0.00 C ATOM 721 CD2 PHE A 48 26.983 -6.548 8.136 1.00 0.00 C ATOM 722 CE1 PHE A 48 28.778 -8.425 9.065 1.00 0.00 C ATOM 723 CE2 PHE A 48 28.176 -6.140 8.702 1.00 0.00 C ATOM 724 CZ PHE A 48 29.075 -7.080 9.167 1.00 0.00 C ATOM 0 H PHE A 48 27.560 -8.961 6.004 1.00 0.00 H new ATOM 0 HA PHE A 48 24.640 -9.283 5.630 1.00 0.00 H new ATOM 0 HB2 PHE A 48 24.632 -7.548 7.549 1.00 0.00 H new ATOM 0 HB3 PHE A 48 25.010 -9.213 7.943 1.00 0.00 H new ATOM 0 HD1 PHE A 48 27.356 -9.880 8.421 1.00 0.00 H new ATOM 0 HD2 PHE A 48 26.284 -5.809 7.774 1.00 0.00 H new ATOM 0 HE1 PHE A 48 29.479 -9.162 9.428 1.00 0.00 H new ATOM 0 HE2 PHE A 48 28.405 -5.088 8.781 1.00 0.00 H new ATOM 0 HZ PHE A 48 30.008 -6.764 9.609 1.00 0.00 H new ATOM 734 N CYS A 49 24.365 -7.190 4.353 1.00 0.00 N ATOM 735 CA CYS A 49 24.203 -6.002 3.523 1.00 0.00 C ATOM 736 C CYS A 49 22.865 -5.323 3.801 1.00 0.00 C ATOM 737 O CYS A 49 21.875 -5.984 4.116 1.00 0.00 O ATOM 738 CB CYS A 49 24.301 -6.373 2.042 1.00 0.00 C ATOM 739 SG CYS A 49 25.465 -7.730 1.690 1.00 0.00 S ATOM 0 H CYS A 49 23.588 -7.848 4.303 1.00 0.00 H new ATOM 0 HA CYS A 49 25.003 -5.304 3.770 1.00 0.00 H new ATOM 0 HB2 CYS A 49 23.311 -6.655 1.683 1.00 0.00 H new ATOM 0 HB3 CYS A 49 24.605 -5.492 1.477 1.00 0.00 H new ATOM 744 N TYR A 50 22.844 -4.000 3.682 1.00 0.00 N ATOM 745 CA TYR A 50 21.629 -3.231 3.923 1.00 0.00 C ATOM 746 C TYR A 50 21.226 -2.445 2.679 1.00 0.00 C ATOM 747 O TYR A 50 22.068 -1.850 2.006 1.00 0.00 O ATOM 748 CB TYR A 50 21.831 -2.275 5.100 1.00 0.00 C ATOM 749 CG TYR A 50 22.281 -0.892 4.687 1.00 0.00 C ATOM 750 CD1 TYR A 50 21.356 0.096 4.373 1.00 0.00 C ATOM 751 CD2 TYR A 50 23.631 -0.573 4.611 1.00 0.00 C ATOM 752 CE1 TYR A 50 21.763 1.361 3.994 1.00 0.00 C ATOM 753 CE2 TYR A 50 24.047 0.689 4.234 1.00 0.00 C ATOM 754 CZ TYR A 50 23.109 1.653 3.927 1.00 0.00 C ATOM 755 OH TYR A 50 23.518 2.912 3.551 1.00 0.00 O ATOM 0 H TYR A 50 23.654 -3.438 3.420 1.00 0.00 H new ATOM 0 HA TYR A 50 20.828 -3.930 4.164 1.00 0.00 H new ATOM 0 HB2 TYR A 50 20.896 -2.193 5.655 1.00 0.00 H new ATOM 0 HB3 TYR A 50 22.569 -2.700 5.780 1.00 0.00 H new ATOM 0 HD1 TYR A 50 20.301 -0.128 4.426 1.00 0.00 H new ATOM 0 HD2 TYR A 50 24.368 -1.325 4.851 1.00 0.00 H new ATOM 0 HE1 TYR A 50 21.031 2.117 3.752 1.00 0.00 H new ATOM 0 HE2 TYR A 50 25.101 0.920 4.180 1.00 0.00 H new ATOM 0 HH TYR A 50 23.681 2.928 2.585 1.00 0.00 H new ATOM 765 N PHE A 51 19.931 -2.447 2.379 1.00 0.00 N ATOM 766 CA PHE A 51 19.415 -1.736 1.216 1.00 0.00 C ATOM 767 C PHE A 51 18.006 -1.212 1.480 1.00 0.00 C ATOM 768 O PHE A 51 17.288 -1.733 2.334 1.00 0.00 O ATOM 769 CB PHE A 51 19.408 -2.653 -0.009 1.00 0.00 C ATOM 770 CG PHE A 51 18.937 -1.975 -1.263 1.00 0.00 C ATOM 771 CD1 PHE A 51 19.666 -0.938 -1.821 1.00 0.00 C ATOM 772 CD2 PHE A 51 17.765 -2.376 -1.885 1.00 0.00 C ATOM 773 CE1 PHE A 51 19.234 -0.312 -2.976 1.00 0.00 C ATOM 774 CE2 PHE A 51 17.329 -1.754 -3.039 1.00 0.00 C ATOM 775 CZ PHE A 51 18.065 -0.721 -3.586 1.00 0.00 C ATOM 0 H PHE A 51 19.220 -2.933 2.926 1.00 0.00 H new ATOM 0 HA PHE A 51 20.070 -0.887 1.021 1.00 0.00 H new ATOM 0 HB2 PHE A 51 20.415 -3.038 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 51 18.767 -3.511 0.193 1.00 0.00 H new ATOM 0 HD1 PHE A 51 20.582 -0.615 -1.349 1.00 0.00 H new ATOM 0 HD2 PHE A 51 17.186 -3.184 -1.463 1.00 0.00 H new ATOM 0 HE1 PHE A 51 19.811 0.496 -3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 51 16.413 -2.075 -3.513 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.727 -0.234 -4.489 1.00 0.00 H new ATOM 785 N ASP A 52 17.618 -0.177 0.743 1.00 0.00 N ATOM 786 CA ASP A 52 16.296 0.418 0.896 1.00 0.00 C ATOM 787 C ASP A 52 15.305 -0.198 -0.087 1.00 0.00 C ATOM 788 O ASP A 52 15.566 -0.264 -1.289 1.00 0.00 O ATOM 789 CB ASP A 52 16.366 1.931 0.687 1.00 0.00 C ATOM 790 CG ASP A 52 17.238 2.312 -0.494 1.00 0.00 C ATOM 791 OD1 ASP A 52 16.728 2.307 -1.634 1.00 0.00 O ATOM 792 OD2 ASP A 52 18.429 2.616 -0.278 1.00 0.00 O ATOM 0 H ASP A 52 18.201 0.267 0.033 1.00 0.00 H new ATOM 0 HA ASP A 52 15.949 0.215 1.909 1.00 0.00 H new ATOM 0 HB2 ASP A 52 15.360 2.321 0.533 1.00 0.00 H new ATOM 0 HB3 ASP A 52 16.755 2.402 1.590 1.00 0.00 H new ATOM 797 N CYS A 53 14.168 -0.650 0.431 1.00 0.00 N ATOM 798 CA CYS A 53 13.139 -1.263 -0.400 1.00 0.00 C ATOM 799 C CYS A 53 11.901 -0.373 -0.478 1.00 0.00 C ATOM 800 O CYS A 53 11.560 0.319 0.482 1.00 0.00 O ATOM 801 CB CYS A 53 12.758 -2.637 0.154 1.00 0.00 C ATOM 802 SG CYS A 53 13.652 -4.024 -0.618 1.00 0.00 S ATOM 0 H CYS A 53 13.936 -0.603 1.423 1.00 0.00 H new ATOM 0 HA CYS A 53 13.543 -1.383 -1.405 1.00 0.00 H new ATOM 0 HB2 CYS A 53 12.947 -2.649 1.227 1.00 0.00 H new ATOM 0 HB3 CYS A 53 11.687 -2.788 0.017 1.00 0.00 H new ATOM 807 N SER A 54 11.234 -0.396 -1.627 1.00 0.00 N ATOM 808 CA SER A 54 10.036 0.411 -1.832 1.00 0.00 C ATOM 809 C SER A 54 10.217 1.809 -1.249 1.00 0.00 C ATOM 810 O SER A 54 9.443 2.245 -0.397 1.00 0.00 O ATOM 811 CB SER A 54 8.823 -0.267 -1.192 1.00 0.00 C ATOM 812 OG SER A 54 8.561 -1.521 -1.798 1.00 0.00 O ATOM 0 H SER A 54 11.502 -0.964 -2.430 1.00 0.00 H new ATOM 0 HA SER A 54 9.868 0.502 -2.905 1.00 0.00 H new ATOM 0 HB2 SER A 54 9.000 -0.405 -0.125 1.00 0.00 H new ATOM 0 HB3 SER A 54 7.949 0.377 -1.289 1.00 0.00 H new ATOM 0 HG SER A 54 7.782 -1.935 -1.370 1.00 0.00 H new ATOM 818 N LYS A 55 11.247 2.508 -1.715 1.00 0.00 N ATOM 819 CA LYS A 55 11.532 3.858 -1.243 1.00 0.00 C ATOM 820 C LYS A 55 12.172 3.827 0.141 1.00 0.00 C ATOM 821 O LYS A 55 13.165 4.510 0.392 1.00 0.00 O ATOM 822 CB LYS A 55 10.247 4.689 -1.204 1.00 0.00 C ATOM 823 CG LYS A 55 9.405 4.566 -2.462 1.00 0.00 C ATOM 824 CD LYS A 55 7.987 4.121 -2.143 1.00 0.00 C ATOM 825 CE LYS A 55 7.558 2.957 -3.022 1.00 0.00 C ATOM 826 NZ LYS A 55 6.156 3.109 -3.499 1.00 0.00 N ATOM 0 H LYS A 55 11.898 2.162 -2.419 1.00 0.00 H new ATOM 0 HA LYS A 55 12.234 4.318 -1.938 1.00 0.00 H new ATOM 0 HB2 LYS A 55 9.650 4.380 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 55 10.506 5.737 -1.051 1.00 0.00 H new ATOM 0 HG2 LYS A 55 9.379 5.526 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.868 3.851 -3.142 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.923 3.830 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.302 4.957 -2.284 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.227 2.884 -3.879 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.652 2.026 -2.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.902 2.295 -4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.514 3.154 -2.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.071 3.984 -4.054 1.00 0.00 H new ATOM 840 N SER A 56 11.597 3.029 1.036 1.00 0.00 N ATOM 841 CA SER A 56 12.111 2.911 2.396 1.00 0.00 C ATOM 842 C SER A 56 11.944 4.224 3.156 1.00 0.00 C ATOM 843 O SER A 56 12.113 5.313 2.608 1.00 0.00 O ATOM 844 CB SER A 56 13.586 2.506 2.373 1.00 0.00 C ATOM 845 OG SER A 56 14.023 2.098 3.658 1.00 0.00 O ATOM 0 H SER A 56 10.776 2.455 0.844 1.00 0.00 H new ATOM 0 HA SER A 56 11.538 2.139 2.909 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.732 1.694 1.661 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.191 3.345 2.029 1.00 0.00 H new ATOM 0 HG SER A 56 14.367 2.874 4.148 1.00 0.00 H new ATOM 851 N PRO A 57 11.603 4.119 4.449 1.00 0.00 N ATOM 852 CA PRO A 57 11.406 5.286 5.313 1.00 0.00 C ATOM 853 C PRO A 57 12.713 6.011 5.615 1.00 0.00 C ATOM 854 O PRO A 57 13.805 5.510 5.346 1.00 0.00 O ATOM 855 CB PRO A 57 10.820 4.685 6.593 1.00 0.00 C ATOM 856 CG PRO A 57 11.306 3.277 6.607 1.00 0.00 C ATOM 857 CD PRO A 57 11.385 2.852 5.167 1.00 0.00 C ATOM 0 HA PRO A 57 10.767 6.035 4.846 1.00 0.00 H new ATOM 0 HB2 PRO A 57 11.156 5.229 7.476 1.00 0.00 H new ATOM 0 HB3 PRO A 57 9.731 4.728 6.588 1.00 0.00 H new ATOM 0 HG2 PRO A 57 12.281 3.205 7.089 1.00 0.00 H new ATOM 0 HG3 PRO A 57 10.626 2.635 7.167 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.201 2.150 5.000 1.00 0.00 H new ATOM 0 HD3 PRO A 57 10.469 2.359 4.843 1.00 0.00 H new ATOM 865 N PRO A 58 12.602 7.219 6.187 1.00 0.00 N ATOM 866 CA PRO A 58 13.766 8.039 6.538 1.00 0.00 C ATOM 867 C PRO A 58 14.558 7.452 7.702 1.00 0.00 C ATOM 868 O PRO A 58 15.632 7.944 8.045 1.00 0.00 O ATOM 869 CB PRO A 58 13.147 9.382 6.935 1.00 0.00 C ATOM 870 CG PRO A 58 11.765 9.046 7.378 1.00 0.00 C ATOM 871 CD PRO A 58 11.332 7.878 6.534 1.00 0.00 C ATOM 0 HA PRO A 58 14.478 8.109 5.716 1.00 0.00 H new ATOM 0 HB2 PRO A 58 13.714 9.858 7.735 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.136 10.076 6.095 1.00 0.00 H new ATOM 0 HG2 PRO A 58 11.746 8.790 8.437 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.095 9.895 7.243 1.00 0.00 H new ATOM 0 HD2 PRO A 58 10.669 7.209 7.083 1.00 0.00 H new ATOM 0 HD3 PRO A 58 10.792 8.203 5.645 1.00 0.00 H new ATOM 879 N GLY A 59 14.019 6.397 8.306 1.00 0.00 N ATOM 880 CA GLY A 59 14.689 5.761 9.425 1.00 0.00 C ATOM 881 C GLY A 59 15.722 4.745 8.980 1.00 0.00 C ATOM 882 O GLY A 59 16.541 5.024 8.105 1.00 0.00 O ATOM 0 H GLY A 59 13.131 5.972 8.040 1.00 0.00 H new ATOM 0 HA2 GLY A 59 15.173 6.523 10.036 1.00 0.00 H new ATOM 0 HA3 GLY A 59 13.949 5.269 10.056 1.00 0.00 H new ATOM 886 N ALA A 60 15.686 3.562 9.586 1.00 0.00 N ATOM 887 CA ALA A 60 16.625 2.501 9.247 1.00 0.00 C ATOM 888 C ALA A 60 16.231 1.186 9.910 1.00 0.00 C ATOM 889 O ALA A 60 15.056 0.947 10.190 1.00 0.00 O ATOM 890 CB ALA A 60 18.037 2.897 9.652 1.00 0.00 C ATOM 0 H ALA A 60 15.016 3.315 10.314 1.00 0.00 H new ATOM 0 HA ALA A 60 16.596 2.355 8.167 1.00 0.00 H new ATOM 0 HB1 ALA A 60 18.728 2.095 9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 60 18.324 3.808 9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 60 18.071 3.072 10.727 1.00 0.00 H new ATOM 896 N THR A 61 17.221 0.334 10.159 1.00 0.00 N ATOM 897 CA THR A 61 16.977 -0.958 10.788 1.00 0.00 C ATOM 898 C THR A 61 16.113 -1.847 9.902 1.00 0.00 C ATOM 899 O THR A 61 14.887 -1.872 10.013 1.00 0.00 O ATOM 900 CB THR A 61 16.291 -0.796 12.158 1.00 0.00 C ATOM 901 OG1 THR A 61 14.901 -0.504 11.977 1.00 0.00 O ATOM 902 CG2 THR A 61 16.947 0.315 12.964 1.00 0.00 C ATOM 0 H THR A 61 18.199 0.516 9.935 1.00 0.00 H new ATOM 0 HA THR A 61 17.950 -1.428 10.931 1.00 0.00 H new ATOM 0 HB THR A 61 16.397 -1.732 12.706 1.00 0.00 H new ATOM 0 HG1 THR A 61 14.701 -0.446 11.019 1.00 0.00 H new ATOM 0 HG21 THR A 61 16.446 0.411 13.927 1.00 0.00 H new ATOM 0 HG22 THR A 61 17.998 0.076 13.124 1.00 0.00 H new ATOM 0 HG23 THR A 61 16.868 1.256 12.419 1.00 0.00 H new ATOM 910 N PRO A 62 16.764 -2.596 8.999 1.00 0.00 N ATOM 911 CA PRO A 62 16.073 -3.501 8.076 1.00 0.00 C ATOM 912 C PRO A 62 15.472 -4.708 8.788 1.00 0.00 C ATOM 913 O PRO A 62 15.777 -4.969 9.952 1.00 0.00 O ATOM 914 CB PRO A 62 17.181 -3.944 7.117 1.00 0.00 C ATOM 915 CG PRO A 62 18.441 -3.792 7.899 1.00 0.00 C ATOM 916 CD PRO A 62 18.224 -2.616 8.810 1.00 0.00 C ATOM 0 HA PRO A 62 15.232 -3.014 7.582 1.00 0.00 H new ATOM 0 HB2 PRO A 62 17.037 -4.975 6.795 1.00 0.00 H new ATOM 0 HB3 PRO A 62 17.196 -3.328 6.218 1.00 0.00 H new ATOM 0 HG2 PRO A 62 18.656 -4.694 8.471 1.00 0.00 H new ATOM 0 HG3 PRO A 62 19.292 -3.623 7.239 1.00 0.00 H new ATOM 0 HD2 PRO A 62 18.750 -2.739 9.757 1.00 0.00 H new ATOM 0 HD3 PRO A 62 18.584 -1.689 8.363 1.00 0.00 H new ATOM 924 N ALA A 63 14.617 -5.441 8.083 1.00 0.00 N ATOM 925 CA ALA A 63 13.976 -6.622 8.648 1.00 0.00 C ATOM 926 C ALA A 63 13.084 -6.251 9.828 1.00 0.00 C ATOM 927 O ALA A 63 13.220 -5.185 10.428 1.00 0.00 O ATOM 928 CB ALA A 63 15.025 -7.638 9.075 1.00 0.00 C ATOM 0 H ALA A 63 14.352 -5.238 7.119 1.00 0.00 H new ATOM 0 HA ALA A 63 13.347 -7.068 7.877 1.00 0.00 H new ATOM 0 HB1 ALA A 63 14.532 -8.515 9.495 1.00 0.00 H new ATOM 0 HB2 ALA A 63 15.618 -7.935 8.210 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.677 -7.193 9.827 1.00 0.00 H new ATOM 934 N PRO A 64 12.149 -7.150 10.169 1.00 0.00 N ATOM 935 CA PRO A 64 11.216 -6.938 11.280 1.00 0.00 C ATOM 936 C PRO A 64 11.909 -6.997 12.637 1.00 0.00 C ATOM 937 O PRO A 64 13.060 -7.417 12.757 1.00 0.00 O ATOM 938 CB PRO A 64 10.224 -8.095 11.135 1.00 0.00 C ATOM 939 CG PRO A 64 10.984 -9.158 10.420 1.00 0.00 C ATOM 940 CD PRO A 64 11.931 -8.442 9.498 1.00 0.00 C ATOM 0 HA PRO A 64 10.751 -5.953 11.241 1.00 0.00 H new ATOM 0 HB2 PRO A 64 9.877 -8.443 12.108 1.00 0.00 H new ATOM 0 HB3 PRO A 64 9.342 -7.792 10.571 1.00 0.00 H new ATOM 0 HG2 PRO A 64 11.527 -9.789 11.123 1.00 0.00 H new ATOM 0 HG3 PRO A 64 10.312 -9.809 9.860 1.00 0.00 H new ATOM 0 HD2 PRO A 64 12.864 -8.992 9.373 1.00 0.00 H new ATOM 0 HD3 PRO A 64 11.503 -8.311 8.504 1.00 0.00 H new ATOM 948 N PRO A 65 11.193 -6.566 13.687 1.00 0.00 N ATOM 949 CA PRO A 65 11.718 -6.562 15.055 1.00 0.00 C ATOM 950 C PRO A 65 11.881 -7.969 15.619 1.00 0.00 C ATOM 951 O PRO A 65 10.998 -8.813 15.473 1.00 0.00 O ATOM 952 CB PRO A 65 10.655 -5.791 15.841 1.00 0.00 C ATOM 953 CG PRO A 65 9.399 -5.977 15.062 1.00 0.00 C ATOM 954 CD PRO A 65 9.814 -6.052 13.618 1.00 0.00 C ATOM 0 HA PRO A 65 12.712 -6.119 15.108 1.00 0.00 H new ATOM 0 HB2 PRO A 65 10.553 -6.179 16.855 1.00 0.00 H new ATOM 0 HB3 PRO A 65 10.914 -4.736 15.928 1.00 0.00 H new ATOM 0 HG2 PRO A 65 8.882 -6.887 15.367 1.00 0.00 H new ATOM 0 HG3 PRO A 65 8.711 -5.148 15.228 1.00 0.00 H new ATOM 0 HD2 PRO A 65 9.165 -6.716 13.047 1.00 0.00 H new ATOM 0 HD3 PRO A 65 9.773 -5.075 13.136 1.00 0.00 H new ATOM 962 N GLY A 66 13.017 -8.216 16.264 1.00 0.00 N ATOM 963 CA GLY A 66 13.275 -9.522 16.840 1.00 0.00 C ATOM 964 C GLY A 66 14.725 -9.703 17.244 1.00 0.00 C ATOM 965 O GLY A 66 15.033 -10.486 18.141 1.00 0.00 O ATOM 0 H GLY A 66 13.764 -7.534 16.398 1.00 0.00 H new ATOM 0 HA2 GLY A 66 12.638 -9.663 17.713 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.003 -10.293 16.119 1.00 0.00 H new ATOM 969 N ALA A 67 15.617 -8.977 16.579 1.00 0.00 N ATOM 970 CA ALA A 67 17.042 -9.060 16.874 1.00 0.00 C ATOM 971 C ALA A 67 17.676 -7.673 16.916 1.00 0.00 C ATOM 972 O ALA A 67 17.605 -6.919 15.947 1.00 0.00 O ATOM 973 CB ALA A 67 17.744 -9.932 15.844 1.00 0.00 C ATOM 0 H ALA A 67 15.378 -8.325 15.832 1.00 0.00 H new ATOM 0 HA ALA A 67 17.158 -9.514 17.858 1.00 0.00 H new ATOM 0 HB1 ALA A 67 18.808 -9.985 16.077 1.00 0.00 H new ATOM 0 HB2 ALA A 67 17.317 -10.935 15.865 1.00 0.00 H new ATOM 0 HB3 ALA A 67 17.611 -9.502 14.851 1.00 0.00 H new ATOM 979 N ALA A 68 18.294 -7.345 18.046 1.00 0.00 N ATOM 980 CA ALA A 68 18.942 -6.050 18.213 1.00 0.00 C ATOM 981 C ALA A 68 20.452 -6.205 18.359 1.00 0.00 C ATOM 982 O ALA A 68 21.012 -6.067 19.446 1.00 0.00 O ATOM 983 CB ALA A 68 18.365 -5.324 19.420 1.00 0.00 C ATOM 0 H ALA A 68 18.359 -7.958 18.859 1.00 0.00 H new ATOM 0 HA ALA A 68 18.750 -5.457 17.319 1.00 0.00 H new ATOM 0 HB1 ALA A 68 18.858 -4.358 19.533 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.295 -5.171 19.276 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.528 -5.922 20.317 1.00 0.00 H new ATOM 989 N PRO A 69 21.128 -6.500 17.238 1.00 0.00 N ATOM 990 CA PRO A 69 22.582 -6.681 17.216 1.00 0.00 C ATOM 991 C PRO A 69 23.333 -5.373 17.441 1.00 0.00 C ATOM 992 O PRO A 69 22.759 -4.284 17.396 1.00 0.00 O ATOM 993 CB PRO A 69 22.851 -7.216 15.807 1.00 0.00 C ATOM 994 CG PRO A 69 21.713 -6.714 14.987 1.00 0.00 C ATOM 995 CD PRO A 69 20.524 -6.679 15.907 1.00 0.00 C ATOM 0 HA PRO A 69 22.922 -7.344 18.011 1.00 0.00 H new ATOM 0 HB2 PRO A 69 23.805 -6.856 15.422 1.00 0.00 H new ATOM 0 HB3 PRO A 69 22.895 -8.305 15.799 1.00 0.00 H new ATOM 0 HG2 PRO A 69 21.927 -5.723 14.588 1.00 0.00 H new ATOM 0 HG3 PRO A 69 21.528 -7.368 14.135 1.00 0.00 H new ATOM 0 HD2 PRO A 69 19.848 -5.861 15.659 1.00 0.00 H new ATOM 0 HD3 PRO A 69 19.944 -7.600 15.849 1.00 0.00 H new ATOM 1003 N PRO A 70 24.646 -5.478 17.690 1.00 0.00 N ATOM 1004 CA PRO A 70 25.504 -4.313 17.926 1.00 0.00 C ATOM 1005 C PRO A 70 25.709 -3.480 16.666 1.00 0.00 C ATOM 1006 O PRO A 70 25.386 -3.900 15.555 1.00 0.00 O ATOM 1007 CB PRO A 70 26.828 -4.933 18.380 1.00 0.00 C ATOM 1008 CG PRO A 70 26.832 -6.297 17.781 1.00 0.00 C ATOM 1009 CD PRO A 70 25.396 -6.744 17.759 1.00 0.00 C ATOM 0 HA PRO A 70 25.069 -3.626 18.652 1.00 0.00 H new ATOM 0 HB2 PRO A 70 27.679 -4.346 18.034 1.00 0.00 H new ATOM 0 HB3 PRO A 70 26.892 -4.978 19.467 1.00 0.00 H new ATOM 0 HG2 PRO A 70 27.251 -6.280 16.775 1.00 0.00 H new ATOM 0 HG3 PRO A 70 27.444 -6.980 18.370 1.00 0.00 H new ATOM 0 HD2 PRO A 70 25.187 -7.382 16.901 1.00 0.00 H new ATOM 0 HD3 PRO A 70 25.139 -7.315 18.651 1.00 0.00 H new ATOM 1017 N PRO A 71 26.261 -2.269 16.839 1.00 0.00 N ATOM 1018 CA PRO A 71 26.523 -1.352 15.726 1.00 0.00 C ATOM 1019 C PRO A 71 27.649 -1.844 14.823 1.00 0.00 C ATOM 1020 O PRO A 71 27.779 -1.402 13.681 1.00 0.00 O ATOM 1021 CB PRO A 71 26.928 -0.052 16.426 1.00 0.00 C ATOM 1022 CG PRO A 71 27.462 -0.484 17.748 1.00 0.00 C ATOM 1023 CD PRO A 71 26.672 -1.703 18.135 1.00 0.00 C ATOM 0 HA PRO A 71 25.658 -1.248 15.071 1.00 0.00 H new ATOM 0 HB2 PRO A 71 27.681 0.489 15.852 1.00 0.00 H new ATOM 0 HB3 PRO A 71 26.075 0.617 16.543 1.00 0.00 H new ATOM 0 HG2 PRO A 71 28.526 -0.713 17.683 1.00 0.00 H new ATOM 0 HG3 PRO A 71 27.350 0.306 18.491 1.00 0.00 H new ATOM 0 HD2 PRO A 71 27.275 -2.407 18.708 1.00 0.00 H new ATOM 0 HD3 PRO A 71 25.811 -1.445 18.752 1.00 0.00 H new ATOM 1031 N ALA A 72 28.460 -2.760 15.341 1.00 0.00 N ATOM 1032 CA ALA A 72 29.573 -3.314 14.579 1.00 0.00 C ATOM 1033 C ALA A 72 29.105 -3.839 13.227 1.00 0.00 C ATOM 1034 O ALA A 72 28.345 -4.805 13.154 1.00 0.00 O ATOM 1035 CB ALA A 72 30.255 -4.420 15.370 1.00 0.00 C ATOM 0 H ALA A 72 28.367 -3.134 16.285 1.00 0.00 H new ATOM 0 HA ALA A 72 30.292 -2.515 14.399 1.00 0.00 H new ATOM 0 HB1 ALA A 72 31.084 -4.825 14.789 1.00 0.00 H new ATOM 0 HB2 ALA A 72 30.633 -4.016 16.309 1.00 0.00 H new ATOM 0 HB3 ALA A 72 29.537 -5.213 15.579 1.00 0.00 H new ATOM 1041 N ALA A 73 29.562 -3.197 12.157 1.00 0.00 N ATOM 1042 CA ALA A 73 29.191 -3.601 10.806 1.00 0.00 C ATOM 1043 C ALA A 73 30.067 -2.910 9.767 1.00 0.00 C ATOM 1044 O ALA A 73 30.739 -3.566 8.972 1.00 0.00 O ATOM 1045 CB ALA A 73 27.723 -3.296 10.549 1.00 0.00 C ATOM 0 H ALA A 73 30.190 -2.394 12.199 1.00 0.00 H new ATOM 0 HA ALA A 73 29.348 -4.676 10.718 1.00 0.00 H new ATOM 0 HB1 ALA A 73 27.459 -3.603 9.537 1.00 0.00 H new ATOM 0 HB2 ALA A 73 27.107 -3.841 11.265 1.00 0.00 H new ATOM 0 HB3 ALA A 73 27.549 -2.226 10.661 1.00 0.00 H new ATOM 1051 N GLY A 74 30.054 -1.580 9.778 1.00 0.00 N ATOM 1052 CA GLY A 74 30.851 -0.823 8.830 1.00 0.00 C ATOM 1053 C GLY A 74 32.337 -0.918 9.115 1.00 0.00 C ATOM 1054 O GLY A 74 32.750 -1.536 10.096 1.00 0.00 O ATOM 0 H GLY A 74 29.506 -1.014 10.426 1.00 0.00 H new ATOM 0 HA2 GLY A 74 30.654 -1.187 7.822 1.00 0.00 H new ATOM 0 HA3 GLY A 74 30.545 0.223 8.857 1.00 0.00 H new ATOM 1058 N GLY A 75 33.143 -0.305 8.254 1.00 0.00 N ATOM 1059 CA GLY A 75 34.583 -0.337 8.434 1.00 0.00 C ATOM 1060 C GLY A 75 35.265 -1.304 7.487 1.00 0.00 C ATOM 1061 O GLY A 75 36.470 -1.210 7.254 1.00 0.00 O ATOM 0 H GLY A 75 32.825 0.213 7.435 1.00 0.00 H new ATOM 0 HA2 GLY A 75 34.987 0.663 8.280 1.00 0.00 H new ATOM 0 HA3 GLY A 75 34.811 -0.618 9.462 1.00 0.00 H new ATOM 1065 N SER A 76 34.493 -2.237 6.939 1.00 0.00 N ATOM 1066 CA SER A 76 35.031 -3.229 6.016 1.00 0.00 C ATOM 1067 C SER A 76 36.241 -3.935 6.621 1.00 0.00 C ATOM 1068 O SER A 76 37.376 -3.769 6.175 1.00 0.00 O ATOM 1069 CB SER A 76 35.422 -2.567 4.693 1.00 0.00 C ATOM 1070 OG SER A 76 34.281 -2.073 4.014 1.00 0.00 O ATOM 0 H SER A 76 33.493 -2.327 7.118 1.00 0.00 H new ATOM 0 HA SER A 76 34.255 -3.971 5.828 1.00 0.00 H new ATOM 0 HB2 SER A 76 36.118 -1.750 4.883 1.00 0.00 H new ATOM 0 HB3 SER A 76 35.941 -3.288 4.061 1.00 0.00 H new ATOM 0 HG SER A 76 34.557 -1.653 3.173 1.00 0.00 H new ATOM 1076 N PRO A 77 35.993 -4.743 7.662 1.00 0.00 N ATOM 1077 CA PRO A 77 37.049 -5.492 8.352 1.00 0.00 C ATOM 1078 C PRO A 77 37.620 -6.613 7.491 1.00 0.00 C ATOM 1079 O PRO A 77 37.223 -6.789 6.340 1.00 0.00 O ATOM 1080 CB PRO A 77 36.333 -6.068 9.576 1.00 0.00 C ATOM 1081 CG PRO A 77 34.901 -6.149 9.174 1.00 0.00 C ATOM 1082 CD PRO A 77 34.664 -4.989 8.247 1.00 0.00 C ATOM 0 HA PRO A 77 37.903 -4.861 8.599 1.00 0.00 H new ATOM 0 HB2 PRO A 77 36.726 -7.050 9.839 1.00 0.00 H new ATOM 0 HB3 PRO A 77 36.464 -5.428 10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 77 34.688 -7.095 8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 77 34.248 -6.092 10.045 1.00 0.00 H new ATOM 0 HD2 PRO A 77 33.926 -5.230 7.482 1.00 0.00 H new ATOM 0 HD3 PRO A 77 34.293 -4.115 8.783 1.00 0.00 H new ATOM 1090 N SER A 78 38.555 -7.370 8.058 1.00 0.00 N ATOM 1091 CA SER A 78 39.184 -8.473 7.341 1.00 0.00 C ATOM 1092 C SER A 78 39.944 -9.382 8.302 1.00 0.00 C ATOM 1093 O SER A 78 41.173 -9.451 8.290 1.00 0.00 O ATOM 1094 CB SER A 78 40.134 -7.937 6.269 1.00 0.00 C ATOM 1095 OG SER A 78 41.077 -7.038 6.827 1.00 0.00 O ATOM 0 H SER A 78 38.893 -7.239 9.011 1.00 0.00 H new ATOM 0 HA SER A 78 38.399 -9.056 6.861 1.00 0.00 H new ATOM 0 HB2 SER A 78 40.656 -8.767 5.793 1.00 0.00 H new ATOM 0 HB3 SER A 78 39.562 -7.432 5.491 1.00 0.00 H new ATOM 0 HG SER A 78 41.575 -7.488 7.541 1.00 0.00 H new ATOM 1101 N PRO A 79 39.196 -10.097 9.156 1.00 0.00 N ATOM 1102 CA PRO A 79 39.778 -11.015 10.140 1.00 0.00 C ATOM 1103 C PRO A 79 40.390 -12.251 9.488 1.00 0.00 C ATOM 1104 O PRO A 79 40.184 -12.526 8.306 1.00 0.00 O ATOM 1105 CB PRO A 79 38.580 -11.407 11.009 1.00 0.00 C ATOM 1106 CG PRO A 79 37.394 -11.221 10.127 1.00 0.00 C ATOM 1107 CD PRO A 79 37.726 -10.064 9.226 1.00 0.00 C ATOM 0 HA PRO A 79 40.594 -10.554 10.697 1.00 0.00 H new ATOM 0 HB2 PRO A 79 38.660 -12.439 11.352 1.00 0.00 H new ATOM 0 HB3 PRO A 79 38.514 -10.780 11.898 1.00 0.00 H new ATOM 0 HG2 PRO A 79 37.194 -12.122 9.547 1.00 0.00 H new ATOM 0 HG3 PRO A 79 36.499 -11.014 10.714 1.00 0.00 H new ATOM 0 HD2 PRO A 79 37.274 -10.179 8.241 1.00 0.00 H new ATOM 0 HD3 PRO A 79 37.364 -9.120 9.634 1.00 0.00 H new ATOM 1115 N PRO A 80 41.162 -13.015 10.276 1.00 0.00 N ATOM 1116 CA PRO A 80 41.819 -14.234 9.797 1.00 0.00 C ATOM 1117 C PRO A 80 40.825 -15.356 9.516 1.00 0.00 C ATOM 1118 O PRO A 80 40.147 -15.839 10.422 1.00 0.00 O ATOM 1119 CB PRO A 80 42.744 -14.617 10.955 1.00 0.00 C ATOM 1120 CG PRO A 80 42.109 -14.016 12.161 1.00 0.00 C ATOM 1121 CD PRO A 80 41.451 -12.747 11.695 1.00 0.00 C ATOM 0 HA PRO A 80 42.340 -14.072 8.853 1.00 0.00 H new ATOM 0 HB2 PRO A 80 42.831 -15.699 11.051 1.00 0.00 H new ATOM 0 HB3 PRO A 80 43.751 -14.229 10.803 1.00 0.00 H new ATOM 0 HG2 PRO A 80 41.378 -14.697 12.597 1.00 0.00 H new ATOM 0 HG3 PRO A 80 42.852 -13.810 12.931 1.00 0.00 H new ATOM 0 HD2 PRO A 80 40.542 -12.536 12.258 1.00 0.00 H new ATOM 0 HD3 PRO A 80 42.108 -11.886 11.816 1.00 0.00 H new ATOM 1129 N ALA A 81 40.746 -15.767 8.254 1.00 0.00 N ATOM 1130 CA ALA A 81 39.837 -16.834 7.854 1.00 0.00 C ATOM 1131 C ALA A 81 40.552 -18.180 7.821 1.00 0.00 C ATOM 1132 O ALA A 81 40.141 -19.094 7.106 1.00 0.00 O ATOM 1133 CB ALA A 81 39.225 -16.525 6.496 1.00 0.00 C ATOM 0 H ALA A 81 41.300 -15.377 7.492 1.00 0.00 H new ATOM 0 HA ALA A 81 39.039 -16.894 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 81 38.548 -17.330 6.210 1.00 0.00 H new ATOM 0 HB2 ALA A 81 38.671 -15.588 6.551 1.00 0.00 H new ATOM 0 HB3 ALA A 81 40.017 -16.435 5.752 1.00 0.00 H new ATOM 1139 N ASP A 82 41.623 -18.296 8.598 1.00 0.00 N ATOM 1140 CA ASP A 82 42.395 -19.531 8.657 1.00 0.00 C ATOM 1141 C ASP A 82 42.941 -19.897 7.280 1.00 0.00 C ATOM 1142 O ASP A 82 42.239 -20.486 6.459 1.00 0.00 O ATOM 1143 CB ASP A 82 41.532 -20.672 9.197 1.00 0.00 C ATOM 1144 CG ASP A 82 41.594 -20.780 10.708 1.00 0.00 C ATOM 1145 OD1 ASP A 82 41.531 -19.730 11.381 1.00 0.00 O ATOM 1146 OD2 ASP A 82 41.705 -21.915 11.217 1.00 0.00 O ATOM 0 H ASP A 82 41.976 -17.549 9.196 1.00 0.00 H new ATOM 0 HA ASP A 82 43.237 -19.372 9.331 1.00 0.00 H new ATOM 0 HB2 ASP A 82 40.498 -20.519 8.889 1.00 0.00 H new ATOM 0 HB3 ASP A 82 41.860 -21.613 8.755 1.00 0.00 H new ATOM 1151 N GLY A 83 44.199 -19.543 7.034 1.00 0.00 N ATOM 1152 CA GLY A 83 44.817 -19.842 5.756 1.00 0.00 C ATOM 1153 C GLY A 83 45.163 -21.310 5.607 1.00 0.00 C ATOM 1154 O GLY A 83 46.326 -21.696 5.720 1.00 0.00 O ATOM 0 H GLY A 83 44.801 -19.055 7.697 1.00 0.00 H new ATOM 0 HA2 GLY A 83 44.142 -19.548 4.952 1.00 0.00 H new ATOM 0 HA3 GLY A 83 45.723 -19.246 5.646 1.00 0.00 H new ATOM 1158 N GLY A 84 44.149 -22.133 5.356 1.00 0.00 N ATOM 1159 CA GLY A 84 44.372 -23.558 5.198 1.00 0.00 C ATOM 1160 C GLY A 84 43.282 -24.390 5.844 1.00 0.00 C ATOM 1161 O GLY A 84 42.198 -24.549 5.283 1.00 0.00 O ATOM 0 H GLY A 84 43.177 -21.838 5.259 1.00 0.00 H new ATOM 0 HA2 GLY A 84 44.427 -23.799 4.136 1.00 0.00 H new ATOM 0 HA3 GLY A 84 45.335 -23.823 5.636 1.00 0.00 H new ATOM 1165 N SER A 85 43.570 -24.925 7.027 1.00 0.00 N ATOM 1166 CA SER A 85 42.608 -25.750 7.747 1.00 0.00 C ATOM 1167 C SER A 85 42.187 -26.953 6.908 1.00 0.00 C ATOM 1168 O SER A 85 41.070 -27.025 6.396 1.00 0.00 O ATOM 1169 CB SER A 85 41.377 -24.923 8.126 1.00 0.00 C ATOM 1170 OG SER A 85 40.558 -25.621 9.048 1.00 0.00 O ATOM 0 H SER A 85 44.462 -24.801 7.506 1.00 0.00 H new ATOM 0 HA SER A 85 43.088 -26.113 8.656 1.00 0.00 H new ATOM 0 HB2 SER A 85 41.692 -23.974 8.560 1.00 0.00 H new ATOM 0 HB3 SER A 85 40.803 -24.688 7.230 1.00 0.00 H new ATOM 0 HG SER A 85 39.779 -25.071 9.275 1.00 0.00 H new ATOM 1176 N PRO A 86 43.104 -27.921 6.763 1.00 0.00 N ATOM 1177 CA PRO A 86 42.853 -29.139 5.987 1.00 0.00 C ATOM 1178 C PRO A 86 41.845 -30.061 6.665 1.00 0.00 C ATOM 1179 O PRO A 86 41.496 -29.887 7.833 1.00 0.00 O ATOM 1180 CB PRO A 86 44.228 -29.808 5.921 1.00 0.00 C ATOM 1181 CG PRO A 86 44.953 -29.303 7.120 1.00 0.00 C ATOM 1182 CD PRO A 86 44.457 -27.901 7.345 1.00 0.00 C ATOM 0 HA PRO A 86 42.424 -28.918 5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 86 44.141 -30.894 5.939 1.00 0.00 H new ATOM 0 HB3 PRO A 86 44.752 -29.546 5.002 1.00 0.00 H new ATOM 0 HG2 PRO A 86 44.755 -29.931 7.989 1.00 0.00 H new ATOM 0 HG3 PRO A 86 46.031 -29.314 6.958 1.00 0.00 H new ATOM 0 HD2 PRO A 86 44.435 -27.648 8.405 1.00 0.00 H new ATOM 0 HD3 PRO A 86 45.095 -27.165 6.855 1.00 0.00 H new ATOM 1190 N PRO A 87 41.364 -31.065 5.918 1.00 0.00 N ATOM 1191 CA PRO A 87 40.390 -32.035 6.427 1.00 0.00 C ATOM 1192 C PRO A 87 40.993 -32.969 7.470 1.00 0.00 C ATOM 1193 O PRO A 87 42.209 -33.032 7.653 1.00 0.00 O ATOM 1194 CB PRO A 87 39.984 -32.820 5.177 1.00 0.00 C ATOM 1195 CG PRO A 87 41.147 -32.691 4.255 1.00 0.00 C ATOM 1196 CD PRO A 87 41.735 -31.333 4.518 1.00 0.00 C ATOM 0 HA PRO A 87 39.555 -31.548 6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 87 39.780 -33.864 5.414 1.00 0.00 H new ATOM 0 HB3 PRO A 87 39.077 -32.412 4.730 1.00 0.00 H new ATOM 0 HG2 PRO A 87 41.880 -33.476 4.440 1.00 0.00 H new ATOM 0 HG3 PRO A 87 40.833 -32.786 3.215 1.00 0.00 H new ATOM 0 HD2 PRO A 87 42.816 -31.330 4.381 1.00 0.00 H new ATOM 0 HD3 PRO A 87 41.327 -30.581 3.843 1.00 0.00 H new ATOM 1204 N PRO A 88 40.126 -33.714 8.172 1.00 0.00 N ATOM 1205 CA PRO A 88 40.551 -34.659 9.208 1.00 0.00 C ATOM 1206 C PRO A 88 41.271 -35.871 8.627 1.00 0.00 C ATOM 1207 O PRO A 88 41.259 -36.111 7.419 1.00 0.00 O ATOM 1208 CB PRO A 88 39.234 -35.084 9.863 1.00 0.00 C ATOM 1209 CG PRO A 88 38.202 -34.876 8.808 1.00 0.00 C ATOM 1210 CD PRO A 88 38.662 -33.690 8.006 1.00 0.00 C ATOM 0 HA PRO A 88 41.263 -34.210 9.901 1.00 0.00 H new ATOM 0 HB2 PRO A 88 39.269 -36.125 10.183 1.00 0.00 H new ATOM 0 HB3 PRO A 88 39.021 -34.485 10.749 1.00 0.00 H new ATOM 0 HG2 PRO A 88 38.105 -35.760 8.177 1.00 0.00 H new ATOM 0 HG3 PRO A 88 37.223 -34.692 9.251 1.00 0.00 H new ATOM 0 HD2 PRO A 88 38.375 -33.777 6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 88 38.230 -32.761 8.378 1.00 0.00 H new ATOM 1218 N PRO A 89 41.915 -36.655 9.505 1.00 0.00 N ATOM 1219 CA PRO A 89 42.652 -37.856 9.101 1.00 0.00 C ATOM 1220 C PRO A 89 41.727 -38.974 8.632 1.00 0.00 C ATOM 1221 O PRO A 89 40.541 -38.991 8.962 1.00 0.00 O ATOM 1222 CB PRO A 89 43.384 -38.270 10.381 1.00 0.00 C ATOM 1223 CG PRO A 89 42.558 -37.709 11.487 1.00 0.00 C ATOM 1224 CD PRO A 89 41.971 -36.430 10.959 1.00 0.00 C ATOM 0 HA PRO A 89 43.315 -37.663 8.257 1.00 0.00 H new ATOM 0 HB2 PRO A 89 43.465 -39.354 10.458 1.00 0.00 H new ATOM 0 HB3 PRO A 89 44.399 -37.872 10.403 1.00 0.00 H new ATOM 0 HG2 PRO A 89 41.773 -38.406 11.780 1.00 0.00 H new ATOM 0 HG3 PRO A 89 43.166 -37.523 12.372 1.00 0.00 H new ATOM 0 HD2 PRO A 89 40.981 -36.240 11.375 1.00 0.00 H new ATOM 0 HD3 PRO A 89 42.592 -35.570 11.209 1.00 0.00 H new ATOM 1232 N ALA A 90 42.277 -39.906 7.860 1.00 0.00 N ATOM 1233 CA ALA A 90 41.501 -41.028 7.348 1.00 0.00 C ATOM 1234 C ALA A 90 41.631 -42.246 8.256 1.00 0.00 C ATOM 1235 O ALA A 90 42.473 -43.115 8.029 1.00 0.00 O ATOM 1236 CB ALA A 90 41.943 -41.373 5.933 1.00 0.00 C ATOM 0 H ALA A 90 43.257 -39.906 7.576 1.00 0.00 H new ATOM 0 HA ALA A 90 40.452 -40.733 7.328 1.00 0.00 H new ATOM 0 HB1 ALA A 90 41.355 -42.213 5.563 1.00 0.00 H new ATOM 0 HB2 ALA A 90 41.792 -40.510 5.284 1.00 0.00 H new ATOM 0 HB3 ALA A 90 42.999 -41.643 5.937 1.00 0.00 H new ATOM 1242 N ASP A 91 40.793 -42.302 9.286 1.00 0.00 N ATOM 1243 CA ASP A 91 40.814 -43.414 10.229 1.00 0.00 C ATOM 1244 C ASP A 91 39.419 -43.682 10.785 1.00 0.00 C ATOM 1245 O ASP A 91 38.564 -42.797 10.796 1.00 0.00 O ATOM 1246 CB ASP A 91 41.786 -43.121 11.374 1.00 0.00 C ATOM 1247 CG ASP A 91 43.196 -43.587 11.070 1.00 0.00 C ATOM 1248 OD1 ASP A 91 43.389 -44.805 10.871 1.00 0.00 O ATOM 1249 OD2 ASP A 91 44.106 -42.733 11.029 1.00 0.00 O ATOM 0 H ASP A 91 40.091 -41.590 9.489 1.00 0.00 H new ATOM 0 HA ASP A 91 41.150 -44.304 9.696 1.00 0.00 H new ATOM 0 HB2 ASP A 91 41.796 -42.049 11.573 1.00 0.00 H new ATOM 0 HB3 ASP A 91 41.432 -43.611 12.281 1.00 0.00 H new ATOM 1254 N GLY A 92 39.196 -44.909 11.245 1.00 0.00 N ATOM 1255 CA GLY A 92 37.903 -45.272 11.795 1.00 0.00 C ATOM 1256 C GLY A 92 37.954 -45.508 13.291 1.00 0.00 C ATOM 1257 O GLY A 92 38.602 -44.760 14.022 1.00 0.00 O ATOM 0 H GLY A 92 39.888 -45.658 11.247 1.00 0.00 H new ATOM 0 HA2 GLY A 92 37.185 -44.481 11.580 1.00 0.00 H new ATOM 0 HA3 GLY A 92 37.542 -46.174 11.300 1.00 0.00 H new ATOM 1261 N GLY A 93 37.268 -46.551 13.748 1.00 0.00 N ATOM 1262 CA GLY A 93 37.250 -46.863 15.166 1.00 0.00 C ATOM 1263 C GLY A 93 36.489 -48.138 15.469 1.00 0.00 C ATOM 1264 O GLY A 93 36.228 -48.941 14.573 1.00 0.00 O ATOM 0 H GLY A 93 36.725 -47.185 13.162 1.00 0.00 H new ATOM 0 HA2 GLY A 93 38.274 -46.960 15.527 1.00 0.00 H new ATOM 0 HA3 GLY A 93 36.797 -46.035 15.711 1.00 0.00 H new ATOM 1268 N SER A 94 36.133 -48.326 16.735 1.00 0.00 N ATOM 1269 CA SER A 94 35.401 -49.515 17.155 1.00 0.00 C ATOM 1270 C SER A 94 36.183 -50.781 16.818 1.00 0.00 C ATOM 1271 O SER A 94 36.003 -51.390 15.763 1.00 0.00 O ATOM 1272 CB SER A 94 34.026 -49.558 16.485 1.00 0.00 C ATOM 1273 OG SER A 94 33.088 -50.252 17.289 1.00 0.00 O ATOM 0 H SER A 94 36.340 -47.670 17.488 1.00 0.00 H new ATOM 0 HA SER A 94 35.269 -49.467 18.236 1.00 0.00 H new ATOM 0 HB2 SER A 94 33.674 -48.542 16.305 1.00 0.00 H new ATOM 0 HB3 SER A 94 34.107 -50.045 15.513 1.00 0.00 H new ATOM 0 HG SER A 94 32.217 -50.264 16.839 1.00 0.00 H new ATOM 1279 N PRO A 95 37.073 -51.188 17.735 1.00 0.00 N ATOM 1280 CA PRO A 95 37.296 -50.471 18.994 1.00 0.00 C ATOM 1281 C PRO A 95 37.983 -49.126 18.781 1.00 0.00 C ATOM 1282 O PRO A 95 38.584 -48.867 17.739 1.00 0.00 O ATOM 1283 CB PRO A 95 38.205 -51.416 19.784 1.00 0.00 C ATOM 1284 CG PRO A 95 38.907 -52.222 18.747 1.00 0.00 C ATOM 1285 CD PRO A 95 37.931 -52.379 17.613 1.00 0.00 C ATOM 0 HA PRO A 95 36.360 -50.235 19.500 1.00 0.00 H new ATOM 0 HB2 PRO A 95 38.913 -50.861 20.400 1.00 0.00 H new ATOM 0 HB3 PRO A 95 37.627 -52.051 20.455 1.00 0.00 H new ATOM 0 HG2 PRO A 95 39.816 -51.722 18.413 1.00 0.00 H new ATOM 0 HG3 PRO A 95 39.205 -53.193 19.143 1.00 0.00 H new ATOM 0 HD2 PRO A 95 38.438 -52.412 16.648 1.00 0.00 H new ATOM 0 HD3 PRO A 95 37.355 -53.300 17.703 1.00 0.00 H new ATOM 1293 N PRO A 96 37.893 -48.249 19.792 1.00 0.00 N ATOM 1294 CA PRO A 96 38.501 -46.916 19.739 1.00 0.00 C ATOM 1295 C PRO A 96 40.024 -46.970 19.792 1.00 0.00 C ATOM 1296 O PRO A 96 40.611 -48.037 19.974 1.00 0.00 O ATOM 1297 CB PRO A 96 37.946 -46.223 20.987 1.00 0.00 C ATOM 1298 CG PRO A 96 37.623 -47.335 21.924 1.00 0.00 C ATOM 1299 CD PRO A 96 37.192 -48.490 21.064 1.00 0.00 C ATOM 0 HA PRO A 96 38.268 -46.399 18.808 1.00 0.00 H new ATOM 0 HB2 PRO A 96 38.678 -45.540 21.419 1.00 0.00 H new ATOM 0 HB3 PRO A 96 37.060 -45.633 20.752 1.00 0.00 H new ATOM 0 HG2 PRO A 96 38.491 -47.601 22.528 1.00 0.00 H new ATOM 0 HG3 PRO A 96 36.831 -47.046 22.614 1.00 0.00 H new ATOM 0 HD2 PRO A 96 37.475 -49.446 21.504 1.00 0.00 H new ATOM 0 HD3 PRO A 96 36.111 -48.509 20.929 1.00 0.00 H new ATOM 1307 N VAL A 97 40.659 -45.813 19.633 1.00 0.00 N ATOM 1308 CA VAL A 97 42.114 -45.729 19.664 1.00 0.00 C ATOM 1309 C VAL A 97 42.576 -44.451 20.355 1.00 0.00 C ATOM 1310 O VAL A 97 41.923 -43.411 20.259 1.00 0.00 O ATOM 1311 CB VAL A 97 42.710 -45.777 18.245 1.00 0.00 C ATOM 1312 CG1 VAL A 97 42.590 -47.178 17.663 1.00 0.00 C ATOM 1313 CG2 VAL A 97 42.027 -44.757 17.346 1.00 0.00 C ATOM 0 H VAL A 97 40.188 -44.921 19.481 1.00 0.00 H new ATOM 0 HA VAL A 97 42.469 -46.592 20.228 1.00 0.00 H new ATOM 0 HB VAL A 97 43.768 -45.524 18.305 1.00 0.00 H new ATOM 0 HG11 VAL A 97 43.016 -47.193 16.660 1.00 0.00 H new ATOM 0 HG12 VAL A 97 43.129 -47.883 18.297 1.00 0.00 H new ATOM 0 HG13 VAL A 97 41.539 -47.463 17.615 1.00 0.00 H new ATOM 0 HG21 VAL A 97 42.460 -44.804 16.347 1.00 0.00 H new ATOM 0 HG22 VAL A 97 40.961 -44.977 17.290 1.00 0.00 H new ATOM 0 HG23 VAL A 97 42.170 -43.757 17.756 1.00 0.00 H new ATOM 1323 N ASP A 98 43.705 -44.535 21.049 1.00 0.00 N ATOM 1324 CA ASP A 98 44.256 -43.384 21.755 1.00 0.00 C ATOM 1325 C ASP A 98 44.472 -42.214 20.801 1.00 0.00 C ATOM 1326 O ASP A 98 44.369 -41.052 21.193 1.00 0.00 O ATOM 1327 CB ASP A 98 45.576 -43.758 22.431 1.00 0.00 C ATOM 1328 CG ASP A 98 45.426 -43.952 23.927 1.00 0.00 C ATOM 1329 OD1 ASP A 98 45.183 -42.951 24.633 1.00 0.00 O ATOM 1330 OD2 ASP A 98 45.552 -45.104 24.392 1.00 0.00 O ATOM 0 H ASP A 98 44.257 -45.388 21.138 1.00 0.00 H new ATOM 0 HA ASP A 98 43.540 -43.079 22.518 1.00 0.00 H new ATOM 0 HB2 ASP A 98 45.962 -44.675 21.986 1.00 0.00 H new ATOM 0 HB3 ASP A 98 46.312 -42.977 22.241 1.00 0.00 H new ATOM 1335 N GLY A 99 44.775 -42.529 19.545 1.00 0.00 N ATOM 1336 CA GLY A 99 45.002 -41.493 18.554 1.00 0.00 C ATOM 1337 C GLY A 99 43.834 -40.534 18.439 1.00 0.00 C ATOM 1338 O GLY A 99 42.719 -40.940 18.115 1.00 0.00 O ATOM 0 H GLY A 99 44.867 -43.483 19.196 1.00 0.00 H new ATOM 0 HA2 GLY A 99 45.901 -40.935 18.815 1.00 0.00 H new ATOM 0 HA3 GLY A 99 45.185 -41.956 17.584 1.00 0.00 H new ATOM 1342 N GLY A 100 44.089 -39.257 18.707 1.00 0.00 N ATOM 1343 CA GLY A 100 43.040 -38.258 18.628 1.00 0.00 C ATOM 1344 C GLY A 100 43.030 -37.331 19.827 1.00 0.00 C ATOM 1345 O GLY A 100 44.006 -36.627 20.084 1.00 0.00 O ATOM 0 H GLY A 100 45.004 -38.897 18.978 1.00 0.00 H new ATOM 0 HA2 GLY A 100 43.170 -37.670 17.719 1.00 0.00 H new ATOM 0 HA3 GLY A 100 42.074 -38.756 18.550 1.00 0.00 H new ATOM 1349 N SER A 101 41.923 -37.330 20.564 1.00 0.00 N ATOM 1350 CA SER A 101 41.788 -36.479 21.740 1.00 0.00 C ATOM 1351 C SER A 101 41.856 -35.004 21.353 1.00 0.00 C ATOM 1352 O SER A 101 42.346 -34.638 20.285 1.00 0.00 O ATOM 1353 CB SER A 101 42.884 -36.801 22.758 1.00 0.00 C ATOM 1354 OG SER A 101 43.473 -38.062 22.490 1.00 0.00 O ATOM 0 H SER A 101 41.107 -37.909 20.367 1.00 0.00 H new ATOM 0 HA SER A 101 40.815 -36.675 22.190 1.00 0.00 H new ATOM 0 HB2 SER A 101 43.649 -36.025 22.731 1.00 0.00 H new ATOM 0 HB3 SER A 101 42.463 -36.799 23.763 1.00 0.00 H new ATOM 0 HG SER A 101 44.171 -38.244 23.153 1.00 0.00 H new ATOM 1360 N PRO A 102 41.350 -34.137 22.243 1.00 0.00 N ATOM 1361 CA PRO A 102 41.341 -32.688 22.018 1.00 0.00 C ATOM 1362 C PRO A 102 42.740 -32.084 22.076 1.00 0.00 C ATOM 1363 O PRO A 102 43.704 -32.728 22.491 1.00 0.00 O ATOM 1364 CB PRO A 102 40.481 -32.157 23.167 1.00 0.00 C ATOM 1365 CG PRO A 102 40.607 -33.182 24.240 1.00 0.00 C ATOM 1366 CD PRO A 102 40.750 -34.503 23.536 1.00 0.00 C ATOM 0 HA PRO A 102 40.962 -32.431 21.029 1.00 0.00 H new ATOM 0 HB2 PRO A 102 40.832 -31.183 23.507 1.00 0.00 H new ATOM 0 HB3 PRO A 102 39.443 -32.032 22.859 1.00 0.00 H new ATOM 0 HG2 PRO A 102 41.472 -32.981 24.872 1.00 0.00 H new ATOM 0 HG3 PRO A 102 39.731 -33.178 24.888 1.00 0.00 H new ATOM 0 HD2 PRO A 102 41.387 -35.189 24.095 1.00 0.00 H new ATOM 0 HD3 PRO A 102 39.786 -34.996 23.407 1.00 0.00 H new ATOM 1374 N PRO A 103 42.856 -30.817 21.651 1.00 0.00 N ATOM 1375 CA PRO A 103 41.716 -30.041 21.155 1.00 0.00 C ATOM 1376 C PRO A 103 41.210 -30.549 19.809 1.00 0.00 C ATOM 1377 O PRO A 103 41.859 -31.352 19.138 1.00 0.00 O ATOM 1378 CB PRO A 103 42.284 -28.626 21.013 1.00 0.00 C ATOM 1379 CG PRO A 103 43.748 -28.824 20.822 1.00 0.00 C ATOM 1380 CD PRO A 103 44.110 -30.045 21.622 1.00 0.00 C ATOM 0 HA PRO A 103 40.858 -30.106 21.824 1.00 0.00 H new ATOM 0 HB2 PRO A 103 41.841 -28.105 20.165 1.00 0.00 H new ATOM 0 HB3 PRO A 103 42.078 -28.026 21.899 1.00 0.00 H new ATOM 0 HG2 PRO A 103 43.989 -28.963 19.768 1.00 0.00 H new ATOM 0 HG3 PRO A 103 44.307 -27.953 21.165 1.00 0.00 H new ATOM 0 HD2 PRO A 103 44.918 -30.608 21.154 1.00 0.00 H new ATOM 0 HD3 PRO A 103 44.444 -29.783 22.626 1.00 0.00 H new ATOM 1388 N PRO A 104 40.025 -30.071 19.402 1.00 0.00 N ATOM 1389 CA PRO A 104 39.407 -30.463 18.132 1.00 0.00 C ATOM 1390 C PRO A 104 40.156 -29.905 16.927 1.00 0.00 C ATOM 1391 O PRO A 104 41.019 -29.036 17.049 1.00 0.00 O ATOM 1392 CB PRO A 104 38.004 -29.856 18.218 1.00 0.00 C ATOM 1393 CG PRO A 104 38.146 -28.706 19.154 1.00 0.00 C ATOM 1394 CD PRO A 104 39.197 -29.110 20.151 1.00 0.00 C ATOM 0 HA PRO A 104 39.411 -31.544 17.993 1.00 0.00 H new ATOM 0 HB2 PRO A 104 37.653 -29.529 17.239 1.00 0.00 H new ATOM 0 HB3 PRO A 104 37.281 -30.582 18.589 1.00 0.00 H new ATOM 0 HG2 PRO A 104 38.441 -27.803 18.620 1.00 0.00 H new ATOM 0 HG3 PRO A 104 37.200 -28.488 19.651 1.00 0.00 H new ATOM 0 HD2 PRO A 104 39.781 -28.254 20.489 1.00 0.00 H new ATOM 0 HD3 PRO A 104 38.756 -29.565 21.038 1.00 0.00 H new ATOM 1402 N PRO A 105 39.820 -30.415 15.732 1.00 0.00 N ATOM 1403 CA PRO A 105 40.448 -29.981 14.481 1.00 0.00 C ATOM 1404 C PRO A 105 40.052 -28.560 14.096 1.00 0.00 C ATOM 1405 O PRO A 105 39.112 -27.994 14.654 1.00 0.00 O ATOM 1406 CB PRO A 105 39.917 -30.982 13.452 1.00 0.00 C ATOM 1407 CG PRO A 105 38.624 -31.458 14.018 1.00 0.00 C ATOM 1408 CD PRO A 105 38.799 -31.454 15.512 1.00 0.00 C ATOM 0 HA PRO A 105 41.535 -29.962 14.556 1.00 0.00 H new ATOM 0 HB2 PRO A 105 39.774 -30.511 12.479 1.00 0.00 H new ATOM 0 HB3 PRO A 105 40.614 -31.808 13.307 1.00 0.00 H new ATOM 0 HG2 PRO A 105 37.804 -30.805 13.720 1.00 0.00 H new ATOM 0 HG3 PRO A 105 38.384 -32.458 13.656 1.00 0.00 H new ATOM 0 HD2 PRO A 105 37.867 -31.217 16.025 1.00 0.00 H new ATOM 0 HD3 PRO A 105 39.128 -32.425 15.881 1.00 0.00 H new ATOM 1416 N SER A 106 40.775 -27.989 13.137 1.00 0.00 N ATOM 1417 CA SER A 106 40.501 -26.632 12.680 1.00 0.00 C ATOM 1418 C SER A 106 40.526 -25.649 13.846 1.00 0.00 C ATOM 1419 O SER A 106 39.534 -24.974 14.127 1.00 0.00 O ATOM 1420 CB SER A 106 39.143 -26.573 11.977 1.00 0.00 C ATOM 1421 OG SER A 106 39.120 -27.416 10.839 1.00 0.00 O ATOM 0 H SER A 106 41.554 -28.445 12.662 1.00 0.00 H new ATOM 0 HA SER A 106 41.281 -26.349 11.973 1.00 0.00 H new ATOM 0 HB2 SER A 106 38.358 -26.872 12.671 1.00 0.00 H new ATOM 0 HB3 SER A 106 38.929 -25.547 11.678 1.00 0.00 H new ATOM 0 HG SER A 106 39.588 -26.978 10.098 1.00 0.00 H new ATOM 1427 N THR A 107 41.667 -25.574 14.524 1.00 0.00 N ATOM 1428 CA THR A 107 41.823 -24.675 15.661 1.00 0.00 C ATOM 1429 C THR A 107 40.693 -24.862 16.668 1.00 0.00 C ATOM 1430 O THR A 107 39.896 -25.794 16.556 1.00 0.00 O ATOM 1431 CB THR A 107 41.857 -23.202 15.213 1.00 0.00 C ATOM 1432 OG1 THR A 107 40.530 -22.744 14.932 1.00 0.00 O ATOM 1433 CG2 THR A 107 42.729 -23.033 13.978 1.00 0.00 C ATOM 0 H THR A 107 42.497 -26.125 14.305 1.00 0.00 H new ATOM 0 HA THR A 107 42.773 -24.925 16.133 1.00 0.00 H new ATOM 0 HB THR A 107 42.281 -22.609 16.023 1.00 0.00 H new ATOM 0 HG1 THR A 107 40.037 -23.443 14.454 1.00 0.00 H new ATOM 0 HG21 THR A 107 42.738 -21.985 13.680 1.00 0.00 H new ATOM 0 HG22 THR A 107 43.746 -23.355 14.204 1.00 0.00 H new ATOM 0 HG23 THR A 107 42.329 -23.638 13.165 1.00 0.00 H new ATOM 1441 N HIS A 108 40.630 -23.970 17.652 1.00 0.00 N ATOM 1442 CA HIS A 108 39.597 -24.036 18.678 1.00 0.00 C ATOM 1443 C HIS A 108 39.636 -25.378 19.404 1.00 0.00 C ATOM 1444 O HIS A 108 38.854 -25.620 20.323 1.00 0.00 O ATOM 1445 CB HIS A 108 38.216 -23.820 18.057 1.00 0.00 C ATOM 1446 CG HIS A 108 37.607 -22.495 18.398 1.00 0.00 C ATOM 1447 ND1 HIS A 108 38.079 -21.299 17.900 1.00 0.00 N ATOM 1448 CD2 HIS A 108 36.556 -22.182 19.191 1.00 0.00 C ATOM 1449 CE1 HIS A 108 37.346 -20.307 18.374 1.00 0.00 C ATOM 1450 NE2 HIS A 108 36.414 -20.816 19.160 1.00 0.00 N ATOM 0 H HIS A 108 41.282 -23.193 17.760 1.00 0.00 H new ATOM 0 HA HIS A 108 39.790 -23.245 19.403 1.00 0.00 H new ATOM 0 HB2 HIS A 108 38.297 -23.906 16.973 1.00 0.00 H new ATOM 0 HB3 HIS A 108 37.548 -24.614 18.391 1.00 0.00 H new ATOM 0 HD2 HIS A 108 35.943 -22.877 19.745 1.00 0.00 H new ATOM 0 HE1 HIS A 108 37.485 -19.258 18.156 1.00 0.00 H new ATOM 0 HE2 HIS A 108 35.705 -20.282 19.662 1.00 0.00 H new TER 1458 HIS A 108