USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 557 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.295 USER MOD Single : A 12 MET CE :methyl 166:sc= 0 (180deg=-0.0509) USER MOD Single : A 13 GLN : amide:sc= -0.725 K(o=-0.73,f=-1.4!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 162:sc= -0.0584 (180deg=-0.404) USER MOD Single : A 18 HIS : no HD1:sc= -0.027 X(o=-0.027,f=0) USER MOD Single : A 20 THR OG1 : rot 100:sc= 0.858 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -163:sc= -0.0188 (180deg=-0.363) USER MOD Single : A 28 SER OG : rot -39:sc= 0.879 USER MOD Single : A 29 SER OG : rot -87:sc= 0.922 USER MOD Single : A 31 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.74) USER MOD Single : A 33 SER OG : rot -26:sc= 0.0741 USER MOD Single : A 34 GLN : amide:sc= 0 X(o=0,f=-0.00076) USER MOD Single : A 37 GLN : amide:sc= -0.0224 K(o=-0.022,f=-1.7!) USER MOD Single : A 38 GLN : amide:sc= -0.259 X(o=-0.26,f=-0.68) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot -26:sc= 0.111 USER MOD Single : A 51 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.181) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -97:sc= -0.851! USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0598 (180deg=-0.511) USER MOD Single : A 60 LYS NZ :NH3+ 161:sc= -0.0581 (180deg=-0.444) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ALA A 6 -1.204 -16.377 9.388 1.00 1.00 N ATOM 67 CA ALA A 6 -0.057 -15.579 9.010 1.00 1.00 C ATOM 68 C ALA A 6 0.022 -15.479 7.498 1.00 1.00 C ATOM 69 O ALA A 6 -0.010 -16.483 6.789 1.00 1.00 O ATOM 70 CB ALA A 6 1.222 -16.236 9.547 1.00 1.00 C ATOM 0 HA ALA A 6 -0.159 -14.579 9.432 1.00 1.00 H new ATOM 0 HB1 ALA A 6 2.086 -15.636 9.263 1.00 1.00 H new ATOM 0 HB2 ALA A 6 1.168 -16.303 10.634 1.00 1.00 H new ATOM 0 HB3 ALA A 6 1.321 -17.237 9.126 1.00 1.00 H new ATOM 76 N SER A 7 0.114 -14.251 7.022 1.00 1.00 N ATOM 77 CA SER A 7 0.190 -13.994 5.595 1.00 1.00 C ATOM 78 C SER A 7 1.565 -14.376 5.061 1.00 1.00 C ATOM 79 O SER A 7 2.445 -14.793 5.817 1.00 1.00 O ATOM 80 CB SER A 7 -0.075 -12.508 5.315 1.00 1.00 C ATOM 81 OG SER A 7 -1.452 -12.224 5.525 1.00 1.00 O ATOM 0 H SER A 7 0.138 -13.414 7.604 1.00 1.00 H new ATOM 0 HA SER A 7 -0.566 -14.597 5.093 1.00 1.00 H new ATOM 0 HB2 SER A 7 0.539 -11.889 5.969 1.00 1.00 H new ATOM 0 HB3 SER A 7 0.205 -12.264 4.290 1.00 1.00 H new ATOM 0 HG SER A 7 -1.621 -11.275 5.348 1.00 1.00 H new ATOM 87 N LEU A 8 1.737 -14.224 3.758 1.00 1.00 N ATOM 88 CA LEU A 8 3.007 -14.543 3.107 1.00 1.00 C ATOM 89 C LEU A 8 4.151 -13.735 3.715 1.00 1.00 C ATOM 90 O LEU A 8 5.299 -13.865 3.294 1.00 1.00 O ATOM 91 CB LEU A 8 2.925 -14.250 1.604 1.00 1.00 C ATOM 92 CG LEU A 8 1.662 -14.888 1.017 1.00 1.00 C ATOM 93 CD1 LEU A 8 1.574 -14.560 -0.477 1.00 1.00 C ATOM 94 CD2 LEU A 8 1.710 -16.411 1.213 1.00 1.00 C ATOM 0 H LEU A 8 1.014 -13.881 3.125 1.00 1.00 H new ATOM 0 HA LEU A 8 3.202 -15.604 3.262 1.00 1.00 H new ATOM 0 HB2 LEU A 8 2.912 -13.173 1.435 1.00 1.00 H new ATOM 0 HB3 LEU A 8 3.809 -14.641 1.100 1.00 1.00 H new ATOM 0 HG LEU A 8 0.784 -14.491 1.528 1.00 1.00 H new ATOM 0 HD11 LEU A 8 0.676 -15.013 -0.897 1.00 1.00 H new ATOM 0 HD12 LEU A 8 1.531 -13.479 -0.610 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.452 -14.954 -0.988 1.00 1.00 H new ATOM 0 HD21 LEU A 8 0.810 -16.860 0.794 1.00 1.00 H new ATOM 0 HD22 LEU A 8 2.587 -16.816 0.707 1.00 1.00 H new ATOM 0 HD23 LEU A 8 1.768 -16.639 2.277 1.00 1.00 H new ATOM 106 N LEU A 9 3.836 -12.913 4.711 1.00 1.00 N ATOM 107 CA LEU A 9 4.840 -12.094 5.382 1.00 1.00 C ATOM 108 C LEU A 9 5.567 -12.900 6.454 1.00 1.00 C ATOM 109 O LEU A 9 6.537 -12.437 7.051 1.00 1.00 O ATOM 110 CB LEU A 9 4.151 -10.875 5.999 1.00 1.00 C ATOM 111 CG LEU A 9 3.846 -9.835 4.900 1.00 1.00 C ATOM 112 CD1 LEU A 9 5.146 -9.190 4.368 1.00 1.00 C ATOM 113 CD2 LEU A 9 3.088 -10.514 3.743 1.00 1.00 C ATOM 0 H LEU A 9 2.889 -12.796 5.073 1.00 1.00 H new ATOM 0 HA LEU A 9 5.584 -11.765 4.656 1.00 1.00 H new ATOM 0 HB2 LEU A 9 3.227 -11.179 6.492 1.00 1.00 H new ATOM 0 HB3 LEU A 9 4.790 -10.433 6.764 1.00 1.00 H new ATOM 0 HG LEU A 9 3.229 -9.048 5.333 1.00 1.00 H new ATOM 0 HD11 LEU A 9 4.901 -8.462 3.595 1.00 1.00 H new ATOM 0 HD12 LEU A 9 5.665 -8.690 5.186 1.00 1.00 H new ATOM 0 HD13 LEU A 9 5.790 -9.963 3.947 1.00 1.00 H new ATOM 0 HD21 LEU A 9 2.873 -9.779 2.968 1.00 1.00 H new ATOM 0 HD22 LEU A 9 3.701 -11.313 3.326 1.00 1.00 H new ATOM 0 HD23 LEU A 9 2.153 -10.932 4.116 1.00 1.00 H new ATOM 125 N SER A 10 5.081 -14.100 6.707 1.00 1.00 N ATOM 126 CA SER A 10 5.689 -14.941 7.727 1.00 1.00 C ATOM 127 C SER A 10 7.118 -15.304 7.379 1.00 1.00 C ATOM 128 O SER A 10 8.055 -14.896 8.066 1.00 1.00 O ATOM 129 CB SER A 10 4.872 -16.210 7.925 1.00 1.00 C ATOM 130 OG SER A 10 4.922 -16.989 6.739 1.00 1.00 O ATOM 0 H SER A 10 4.279 -14.512 6.230 1.00 1.00 H new ATOM 0 HA SER A 10 5.702 -14.368 8.654 1.00 1.00 H new ATOM 0 HB2 SER A 10 5.264 -16.781 8.766 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.839 -15.958 8.165 1.00 1.00 H new ATOM 0 HG SER A 10 4.398 -17.808 6.863 1.00 1.00 H new ATOM 136 N PHE A 11 7.284 -16.094 6.336 1.00 1.00 N ATOM 137 CA PHE A 11 8.615 -16.530 5.947 1.00 1.00 C ATOM 138 C PHE A 11 9.580 -15.353 5.959 1.00 1.00 C ATOM 139 O PHE A 11 10.676 -15.446 6.507 1.00 1.00 O ATOM 140 CB PHE A 11 8.559 -17.124 4.541 1.00 1.00 C ATOM 141 CG PHE A 11 9.951 -17.501 4.088 1.00 1.00 C ATOM 142 CD1 PHE A 11 10.571 -18.640 4.614 1.00 1.00 C ATOM 143 CD2 PHE A 11 10.621 -16.713 3.141 1.00 1.00 C ATOM 144 CE1 PHE A 11 11.860 -18.992 4.195 1.00 1.00 C ATOM 145 CE2 PHE A 11 11.910 -17.065 2.723 1.00 1.00 C ATOM 146 CZ PHE A 11 12.529 -18.205 3.251 1.00 1.00 C ATOM 0 H PHE A 11 6.527 -16.444 5.749 1.00 1.00 H new ATOM 0 HA PHE A 11 8.964 -17.281 6.655 1.00 1.00 H new ATOM 0 HB2 PHE A 11 7.914 -18.002 4.533 1.00 1.00 H new ATOM 0 HB3 PHE A 11 8.124 -16.403 3.849 1.00 1.00 H new ATOM 0 HD1 PHE A 11 10.055 -19.248 5.343 1.00 1.00 H new ATOM 0 HD2 PHE A 11 10.143 -15.834 2.734 1.00 1.00 H new ATOM 0 HE1 PHE A 11 12.338 -19.871 4.601 1.00 1.00 H new ATOM 0 HE2 PHE A 11 12.426 -16.458 1.994 1.00 1.00 H new ATOM 0 HZ PHE A 11 13.523 -18.477 2.929 1.00 1.00 H new ATOM 156 N MET A 12 9.183 -14.259 5.325 1.00 1.00 N ATOM 157 CA MET A 12 10.053 -13.087 5.244 1.00 1.00 C ATOM 158 C MET A 12 10.351 -12.544 6.632 1.00 1.00 C ATOM 159 O MET A 12 11.474 -12.664 7.117 1.00 1.00 O ATOM 160 CB MET A 12 9.391 -11.998 4.398 1.00 1.00 C ATOM 161 CG MET A 12 10.314 -10.775 4.298 1.00 1.00 C ATOM 162 SD MET A 12 10.107 -9.736 5.765 1.00 1.00 S ATOM 163 CE MET A 12 8.716 -8.754 5.152 1.00 1.00 C ATOM 0 H MET A 12 8.279 -14.155 4.865 1.00 1.00 H new ATOM 0 HA MET A 12 10.990 -13.388 4.776 1.00 1.00 H new ATOM 0 HB2 MET A 12 9.174 -12.382 3.401 1.00 1.00 H new ATOM 0 HB3 MET A 12 8.439 -11.709 4.843 1.00 1.00 H new ATOM 0 HG2 MET A 12 11.352 -11.096 4.211 1.00 1.00 H new ATOM 0 HG3 MET A 12 10.081 -10.204 3.400 1.00 1.00 H new ATOM 0 HE1 MET A 12 8.259 -8.214 5.981 1.00 1.00 H new ATOM 0 HE2 MET A 12 9.073 -8.042 4.408 1.00 1.00 H new ATOM 0 HE3 MET A 12 7.977 -9.414 4.698 1.00 1.00 H new ATOM 173 N GLN A 13 9.340 -11.947 7.263 1.00 1.00 N ATOM 174 CA GLN A 13 9.502 -11.381 8.608 1.00 1.00 C ATOM 175 C GLN A 13 10.519 -12.185 9.420 1.00 1.00 C ATOM 176 O GLN A 13 11.475 -11.629 9.958 1.00 1.00 O ATOM 177 CB GLN A 13 8.153 -11.371 9.334 1.00 1.00 C ATOM 178 CG GLN A 13 7.284 -10.232 8.802 1.00 1.00 C ATOM 179 CD GLN A 13 5.904 -10.297 9.445 1.00 1.00 C ATOM 180 OE1 GLN A 13 5.682 -11.095 10.357 1.00 1.00 O ATOM 181 NE2 GLN A 13 4.958 -9.512 9.016 1.00 1.00 N ATOM 0 H GLN A 13 8.405 -11.842 6.870 1.00 1.00 H new ATOM 0 HA GLN A 13 9.870 -10.360 8.508 1.00 1.00 H new ATOM 0 HB2 GLN A 13 7.646 -12.325 9.190 1.00 1.00 H new ATOM 0 HB3 GLN A 13 8.308 -11.251 10.406 1.00 1.00 H new ATOM 0 HG2 GLN A 13 7.752 -9.272 9.019 1.00 1.00 H new ATOM 0 HG3 GLN A 13 7.195 -10.305 7.718 1.00 1.00 H new ATOM 0 HE21 GLN A 13 5.146 -8.853 8.261 1.00 1.00 H new ATOM 0 HE22 GLN A 13 4.029 -9.556 9.435 1.00 1.00 H new ATOM 190 N GLY A 14 10.310 -13.494 9.495 1.00 1.00 N ATOM 191 CA GLY A 14 11.224 -14.356 10.236 1.00 1.00 C ATOM 192 C GLY A 14 12.583 -14.438 9.542 1.00 1.00 C ATOM 193 O GLY A 14 13.623 -14.420 10.189 1.00 1.00 O ATOM 0 H GLY A 14 9.526 -13.978 9.058 1.00 1.00 H new ATOM 0 HA2 GLY A 14 11.351 -13.972 11.248 1.00 1.00 H new ATOM 0 HA3 GLY A 14 10.796 -15.355 10.325 1.00 1.00 H new ATOM 197 N TYR A 15 12.575 -14.529 8.221 1.00 1.00 N ATOM 198 CA TYR A 15 13.832 -14.618 7.477 1.00 1.00 C ATOM 199 C TYR A 15 14.840 -13.609 7.989 1.00 1.00 C ATOM 200 O TYR A 15 15.902 -13.979 8.490 1.00 1.00 O ATOM 201 CB TYR A 15 13.573 -14.398 5.980 1.00 1.00 C ATOM 202 CG TYR A 15 14.835 -14.625 5.196 1.00 1.00 C ATOM 203 CD1 TYR A 15 15.217 -15.925 4.857 1.00 1.00 C ATOM 204 CD2 TYR A 15 15.616 -13.534 4.801 1.00 1.00 C ATOM 205 CE1 TYR A 15 16.387 -16.137 4.123 1.00 1.00 C ATOM 206 CE2 TYR A 15 16.786 -13.745 4.068 1.00 1.00 C ATOM 207 CZ TYR A 15 17.172 -15.047 3.729 1.00 1.00 C ATOM 208 OH TYR A 15 18.327 -15.254 3.008 1.00 1.00 O ATOM 0 H TYR A 15 11.732 -14.543 7.647 1.00 1.00 H new ATOM 0 HA TYR A 15 14.247 -15.615 7.625 1.00 1.00 H new ATOM 0 HB2 TYR A 15 12.794 -15.078 5.634 1.00 1.00 H new ATOM 0 HB3 TYR A 15 13.209 -13.385 5.812 1.00 1.00 H new ATOM 0 HD1 TYR A 15 14.609 -16.764 5.161 1.00 1.00 H new ATOM 0 HD2 TYR A 15 15.315 -12.530 5.062 1.00 1.00 H new ATOM 0 HE1 TYR A 15 16.685 -17.141 3.860 1.00 1.00 H new ATOM 0 HE2 TYR A 15 17.392 -12.905 3.763 1.00 1.00 H new ATOM 0 HH TYR A 15 18.751 -14.392 2.815 1.00 1.00 H new ATOM 218 N MET A 16 14.520 -12.347 7.855 1.00 1.00 N ATOM 219 CA MET A 16 15.432 -11.319 8.300 1.00 1.00 C ATOM 220 C MET A 16 15.778 -11.551 9.759 1.00 1.00 C ATOM 221 O MET A 16 16.884 -11.243 10.197 1.00 1.00 O ATOM 222 CB MET A 16 14.766 -9.945 8.143 1.00 1.00 C ATOM 223 CG MET A 16 14.605 -9.606 6.658 1.00 1.00 C ATOM 224 SD MET A 16 13.829 -7.977 6.491 1.00 1.00 S ATOM 225 CE MET A 16 13.534 -8.046 4.705 1.00 1.00 C ATOM 0 H MET A 16 13.649 -12.008 7.448 1.00 1.00 H new ATOM 0 HA MET A 16 16.342 -11.352 7.701 1.00 1.00 H new ATOM 0 HB2 MET A 16 13.792 -9.946 8.632 1.00 1.00 H new ATOM 0 HB3 MET A 16 15.368 -9.182 8.635 1.00 1.00 H new ATOM 0 HG2 MET A 16 15.577 -9.610 6.166 1.00 1.00 H new ATOM 0 HG3 MET A 16 13.995 -10.363 6.165 1.00 1.00 H new ATOM 0 HE1 MET A 16 13.053 -7.124 4.380 1.00 1.00 H new ATOM 0 HE2 MET A 16 14.484 -8.163 4.184 1.00 1.00 H new ATOM 0 HE3 MET A 16 12.888 -8.893 4.475 1.00 1.00 H new ATOM 235 N LYS A 17 14.835 -12.107 10.505 1.00 1.00 N ATOM 236 CA LYS A 17 15.075 -12.382 11.917 1.00 1.00 C ATOM 237 C LYS A 17 16.194 -13.407 12.086 1.00 1.00 C ATOM 238 O LYS A 17 17.074 -13.254 12.934 1.00 1.00 O ATOM 239 CB LYS A 17 13.795 -12.873 12.605 1.00 1.00 C ATOM 240 CG LYS A 17 13.890 -12.647 14.118 1.00 1.00 C ATOM 241 CD LYS A 17 12.561 -13.041 14.764 1.00 1.00 C ATOM 242 CE LYS A 17 12.670 -12.895 16.280 1.00 1.00 C ATOM 243 NZ LYS A 17 12.889 -11.463 16.626 1.00 1.00 N ATOM 0 H LYS A 17 13.911 -12.374 10.165 1.00 1.00 H new ATOM 0 HA LYS A 17 15.384 -11.451 12.391 1.00 1.00 H new ATOM 0 HB2 LYS A 17 12.931 -12.343 12.204 1.00 1.00 H new ATOM 0 HB3 LYS A 17 13.644 -13.932 12.396 1.00 1.00 H new ATOM 0 HG2 LYS A 17 14.703 -13.240 14.537 1.00 1.00 H new ATOM 0 HG3 LYS A 17 14.116 -11.602 14.329 1.00 1.00 H new ATOM 0 HD2 LYS A 17 11.758 -12.410 14.384 1.00 1.00 H new ATOM 0 HD3 LYS A 17 12.308 -14.069 14.504 1.00 1.00 H new ATOM 0 HE2 LYS A 17 11.761 -13.261 16.758 1.00 1.00 H new ATOM 0 HE3 LYS A 17 13.494 -13.501 16.656 1.00 1.00 H new ATOM 0 HZ1 LYS A 17 12.663 -11.310 17.629 1.00 1.00 H new ATOM 0 HZ2 LYS A 17 13.883 -11.212 16.453 1.00 1.00 H new ATOM 0 HZ3 LYS A 17 12.274 -10.866 16.037 1.00 1.00 H new ATOM 257 N HIS A 18 16.133 -14.460 11.274 1.00 1.00 N ATOM 258 CA HIS A 18 17.126 -15.526 11.327 1.00 1.00 C ATOM 259 C HIS A 18 18.406 -15.114 10.616 1.00 1.00 C ATOM 260 O HIS A 18 19.497 -15.256 11.163 1.00 1.00 O ATOM 261 CB HIS A 18 16.564 -16.796 10.684 1.00 1.00 C ATOM 262 CG HIS A 18 17.627 -17.865 10.660 1.00 1.00 C ATOM 263 ND1 HIS A 18 17.908 -18.656 11.763 1.00 1.00 N ATOM 264 CD2 HIS A 18 18.488 -18.277 9.674 1.00 1.00 C ATOM 265 CE1 HIS A 18 18.900 -19.496 11.416 1.00 1.00 C ATOM 266 NE2 HIS A 18 19.291 -19.307 10.153 1.00 1.00 N ATOM 0 H HIS A 18 15.406 -14.596 10.572 1.00 1.00 H new ATOM 0 HA HIS A 18 17.360 -15.721 12.373 1.00 1.00 H new ATOM 0 HB2 HIS A 18 15.696 -17.145 11.243 1.00 1.00 H new ATOM 0 HB3 HIS A 18 16.226 -16.583 9.670 1.00 1.00 H new ATOM 0 HD2 HIS A 18 18.535 -17.864 8.677 1.00 1.00 H new ATOM 0 HE1 HIS A 18 19.328 -20.234 12.078 1.00 1.00 H new ATOM 0 HE2 HIS A 18 20.021 -19.810 9.648 1.00 1.00 H new ATOM 274 N ALA A 19 18.277 -14.627 9.389 1.00 1.00 N ATOM 275 CA ALA A 19 19.456 -14.237 8.615 1.00 1.00 C ATOM 276 C ALA A 19 20.285 -13.217 9.370 1.00 1.00 C ATOM 277 O ALA A 19 21.485 -13.080 9.135 1.00 1.00 O ATOM 278 CB ALA A 19 19.014 -13.657 7.271 1.00 1.00 C ATOM 0 H ALA A 19 17.386 -14.493 8.911 1.00 1.00 H new ATOM 0 HA ALA A 19 20.072 -15.121 8.448 1.00 1.00 H new ATOM 0 HB1 ALA A 19 19.892 -13.366 6.694 1.00 1.00 H new ATOM 0 HB2 ALA A 19 18.449 -14.408 6.719 1.00 1.00 H new ATOM 0 HB3 ALA A 19 18.386 -12.783 7.441 1.00 1.00 H new ATOM 284 N THR A 20 19.653 -12.528 10.286 1.00 1.00 N ATOM 285 CA THR A 20 20.360 -11.539 11.090 1.00 1.00 C ATOM 286 C THR A 20 21.371 -12.242 11.996 1.00 1.00 C ATOM 287 O THR A 20 22.312 -11.625 12.491 1.00 1.00 O ATOM 288 CB THR A 20 19.360 -10.742 11.943 1.00 1.00 C ATOM 289 OG1 THR A 20 18.585 -9.903 11.099 1.00 1.00 O ATOM 290 CG2 THR A 20 20.106 -9.881 12.967 1.00 1.00 C ATOM 0 H THR A 20 18.660 -12.625 10.499 1.00 1.00 H new ATOM 0 HA THR A 20 20.886 -10.851 10.429 1.00 1.00 H new ATOM 0 HB THR A 20 18.710 -11.439 12.471 1.00 1.00 H new ATOM 0 HG1 THR A 20 17.717 -10.324 10.927 1.00 1.00 H new ATOM 0 HG21 THR A 20 19.387 -9.321 13.565 1.00 1.00 H new ATOM 0 HG22 THR A 20 20.699 -10.523 13.619 1.00 1.00 H new ATOM 0 HG23 THR A 20 20.764 -9.185 12.447 1.00 1.00 H new ATOM 298 N LYS A 21 21.177 -13.542 12.190 1.00 1.00 N ATOM 299 CA LYS A 21 22.090 -14.325 13.014 1.00 1.00 C ATOM 300 C LYS A 21 23.446 -14.478 12.330 1.00 1.00 C ATOM 301 O LYS A 21 24.486 -14.501 12.987 1.00 1.00 O ATOM 302 CB LYS A 21 21.498 -15.700 13.321 1.00 1.00 C ATOM 303 CG LYS A 21 22.397 -16.430 14.324 1.00 1.00 C ATOM 304 CD LYS A 21 21.783 -17.790 14.656 1.00 1.00 C ATOM 305 CE LYS A 21 22.667 -18.519 15.669 1.00 1.00 C ATOM 306 NZ LYS A 21 22.085 -19.859 15.959 1.00 1.00 N ATOM 0 H LYS A 21 20.402 -14.072 11.791 1.00 1.00 H new ATOM 0 HA LYS A 21 22.235 -13.790 13.953 1.00 1.00 H new ATOM 0 HB2 LYS A 21 20.493 -15.592 13.728 1.00 1.00 H new ATOM 0 HB3 LYS A 21 21.410 -16.283 12.404 1.00 1.00 H new ATOM 0 HG2 LYS A 21 23.395 -16.561 13.907 1.00 1.00 H new ATOM 0 HG3 LYS A 21 22.506 -15.836 15.231 1.00 1.00 H new ATOM 0 HD2 LYS A 21 20.780 -17.658 15.062 1.00 1.00 H new ATOM 0 HD3 LYS A 21 21.684 -18.387 13.749 1.00 1.00 H new ATOM 0 HE2 LYS A 21 23.678 -18.627 15.275 1.00 1.00 H new ATOM 0 HE3 LYS A 21 22.743 -17.937 16.587 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 22.685 -20.356 16.648 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 21.129 -19.745 16.352 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 22.034 -20.413 15.080 1.00 1.00 H new ATOM 320 N THR A 22 23.417 -14.606 11.007 1.00 1.00 N ATOM 321 CA THR A 22 24.647 -14.783 10.232 1.00 1.00 C ATOM 322 C THR A 22 25.593 -13.596 10.410 1.00 1.00 C ATOM 323 O THR A 22 26.770 -13.669 10.050 1.00 1.00 O ATOM 324 CB THR A 22 24.312 -14.956 8.746 1.00 1.00 C ATOM 325 OG1 THR A 22 23.327 -15.970 8.600 1.00 1.00 O ATOM 326 CG2 THR A 22 25.572 -15.361 7.977 1.00 1.00 C ATOM 0 H THR A 22 22.563 -14.591 10.449 1.00 1.00 H new ATOM 0 HA THR A 22 25.148 -15.678 10.601 1.00 1.00 H new ATOM 0 HB THR A 22 23.933 -14.014 8.350 1.00 1.00 H new ATOM 0 HG1 THR A 22 23.110 -16.081 7.651 1.00 1.00 H new ATOM 0 HG21 THR A 22 25.330 -15.483 6.921 1.00 1.00 H new ATOM 0 HG22 THR A 22 26.331 -14.587 8.088 1.00 1.00 H new ATOM 0 HG23 THR A 22 25.953 -16.302 8.373 1.00 1.00 H new ATOM 334 N ALA A 23 25.075 -12.509 10.966 1.00 1.00 N ATOM 335 CA ALA A 23 25.871 -11.319 11.190 1.00 1.00 C ATOM 336 C ALA A 23 27.186 -11.688 11.856 1.00 1.00 C ATOM 337 O ALA A 23 28.247 -11.299 11.387 1.00 1.00 O ATOM 338 CB ALA A 23 25.096 -10.339 12.077 1.00 1.00 C ATOM 0 H ALA A 23 24.104 -12.431 11.269 1.00 1.00 H new ATOM 0 HA ALA A 23 26.082 -10.847 10.230 1.00 1.00 H new ATOM 0 HB1 ALA A 23 25.697 -9.445 12.244 1.00 1.00 H new ATOM 0 HB2 ALA A 23 24.163 -10.062 11.585 1.00 1.00 H new ATOM 0 HB3 ALA A 23 24.875 -10.811 13.034 1.00 1.00 H new ATOM 344 N LYS A 24 27.115 -12.438 12.948 1.00 1.00 N ATOM 345 CA LYS A 24 28.324 -12.845 13.658 1.00 1.00 C ATOM 346 C LYS A 24 29.333 -13.468 12.681 1.00 1.00 C ATOM 347 O LYS A 24 30.336 -12.858 12.311 1.00 1.00 O ATOM 348 CB LYS A 24 27.940 -13.857 14.741 1.00 1.00 C ATOM 349 CG LYS A 24 27.077 -13.162 15.799 1.00 1.00 C ATOM 350 CD LYS A 24 26.640 -14.176 16.859 1.00 1.00 C ATOM 351 CE LYS A 24 25.736 -13.488 17.883 1.00 1.00 C ATOM 352 NZ LYS A 24 26.523 -12.474 18.639 1.00 1.00 N ATOM 0 H LYS A 24 26.244 -12.775 13.359 1.00 1.00 H new ATOM 0 HA LYS A 24 28.791 -11.974 14.117 1.00 1.00 H new ATOM 0 HB2 LYS A 24 27.394 -14.690 14.299 1.00 1.00 H new ATOM 0 HB3 LYS A 24 28.836 -14.272 15.202 1.00 1.00 H new ATOM 0 HG2 LYS A 24 27.639 -12.353 16.266 1.00 1.00 H new ATOM 0 HG3 LYS A 24 26.202 -12.713 15.330 1.00 1.00 H new ATOM 0 HD2 LYS A 24 26.110 -15.004 16.388 1.00 1.00 H new ATOM 0 HD3 LYS A 24 27.514 -14.598 17.355 1.00 1.00 H new ATOM 0 HE2 LYS A 24 24.896 -13.010 17.379 1.00 1.00 H new ATOM 0 HE3 LYS A 24 25.319 -14.225 18.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 24 26.012 -12.215 19.507 1.00 1.00 H new ATOM 0 HZ2 LYS A 24 27.451 -12.871 18.889 1.00 1.00 H new ATOM 0 HZ3 LYS A 24 26.655 -11.627 18.050 1.00 1.00 H new ATOM 366 N ASP A 25 29.055 -14.704 12.293 1.00 1.00 N ATOM 367 CA ASP A 25 29.934 -15.438 11.394 1.00 1.00 C ATOM 368 C ASP A 25 30.371 -14.515 10.265 1.00 1.00 C ATOM 369 O ASP A 25 31.537 -14.516 9.863 1.00 1.00 O ATOM 370 CB ASP A 25 29.197 -16.650 10.809 1.00 1.00 C ATOM 371 CG ASP A 25 28.994 -17.718 11.879 1.00 1.00 C ATOM 372 OD1 ASP A 25 29.603 -17.603 12.930 1.00 1.00 O ATOM 373 OD2 ASP A 25 28.235 -18.642 11.629 1.00 1.00 O ATOM 0 H ASP A 25 28.226 -15.221 12.587 1.00 1.00 H new ATOM 0 HA ASP A 25 30.806 -15.789 11.947 1.00 1.00 H new ATOM 0 HB2 ASP A 25 28.232 -16.338 10.410 1.00 1.00 H new ATOM 0 HB3 ASP A 25 29.767 -17.064 9.977 1.00 1.00 H new ATOM 378 N ALA A 26 29.439 -13.702 9.786 1.00 1.00 N ATOM 379 CA ALA A 26 29.748 -12.745 8.736 1.00 1.00 C ATOM 380 C ALA A 26 30.677 -11.662 9.277 1.00 1.00 C ATOM 381 O ALA A 26 31.616 -11.246 8.603 1.00 1.00 O ATOM 382 CB ALA A 26 28.459 -12.104 8.216 1.00 1.00 C ATOM 0 H ALA A 26 28.471 -13.687 10.106 1.00 1.00 H new ATOM 0 HA ALA A 26 30.243 -13.267 7.917 1.00 1.00 H new ATOM 0 HB1 ALA A 26 28.700 -11.389 7.430 1.00 1.00 H new ATOM 0 HB2 ALA A 26 27.804 -12.877 7.815 1.00 1.00 H new ATOM 0 HB3 ALA A 26 27.954 -11.589 9.033 1.00 1.00 H new ATOM 388 N LEU A 27 30.409 -11.210 10.499 1.00 1.00 N ATOM 389 CA LEU A 27 31.240 -10.166 11.108 1.00 1.00 C ATOM 390 C LEU A 27 32.686 -10.630 11.224 1.00 1.00 C ATOM 391 O LEU A 27 33.614 -9.878 10.948 1.00 1.00 O ATOM 392 CB LEU A 27 30.689 -9.785 12.497 1.00 1.00 C ATOM 393 CG LEU A 27 29.505 -8.801 12.357 1.00 1.00 C ATOM 394 CD1 LEU A 27 28.587 -8.916 13.582 1.00 1.00 C ATOM 395 CD2 LEU A 27 30.026 -7.357 12.258 1.00 1.00 C ATOM 0 H LEU A 27 29.639 -11.540 11.081 1.00 1.00 H new ATOM 0 HA LEU A 27 31.211 -9.286 10.466 1.00 1.00 H new ATOM 0 HB2 LEU A 27 30.364 -10.682 13.025 1.00 1.00 H new ATOM 0 HB3 LEU A 27 31.478 -9.331 13.096 1.00 1.00 H new ATOM 0 HG LEU A 27 28.949 -9.050 11.453 1.00 1.00 H new ATOM 0 HD11 LEU A 27 27.754 -8.221 13.479 1.00 1.00 H new ATOM 0 HD12 LEU A 27 28.203 -9.934 13.655 1.00 1.00 H new ATOM 0 HD13 LEU A 27 29.151 -8.675 14.483 1.00 1.00 H new ATOM 0 HD21 LEU A 27 29.184 -6.672 12.160 1.00 1.00 H new ATOM 0 HD22 LEU A 27 30.590 -7.111 13.158 1.00 1.00 H new ATOM 0 HD23 LEU A 27 30.674 -7.263 11.386 1.00 1.00 H new ATOM 407 N SER A 28 32.867 -11.858 11.647 1.00 1.00 N ATOM 408 CA SER A 28 34.210 -12.397 11.803 1.00 1.00 C ATOM 409 C SER A 28 34.920 -12.387 10.455 1.00 1.00 C ATOM 410 O SER A 28 36.150 -12.350 10.375 1.00 1.00 O ATOM 411 CB SER A 28 34.131 -13.823 12.338 1.00 1.00 C ATOM 412 OG SER A 28 33.453 -14.638 11.389 1.00 1.00 O ATOM 0 H SER A 28 32.114 -12.503 11.889 1.00 1.00 H new ATOM 0 HA SER A 28 34.770 -11.783 12.509 1.00 1.00 H new ATOM 0 HB2 SER A 28 35.133 -14.212 12.521 1.00 1.00 H new ATOM 0 HB3 SER A 28 33.604 -13.838 13.292 1.00 1.00 H new ATOM 0 HG SER A 28 32.711 -14.133 10.995 1.00 1.00 H new ATOM 418 N SER A 29 34.112 -12.433 9.404 1.00 1.00 N ATOM 419 CA SER A 29 34.644 -12.437 8.031 1.00 1.00 C ATOM 420 C SER A 29 35.087 -11.045 7.570 1.00 1.00 C ATOM 421 O SER A 29 35.551 -10.881 6.441 1.00 1.00 O ATOM 422 CB SER A 29 33.618 -12.985 7.043 1.00 1.00 C ATOM 423 OG SER A 29 32.747 -11.938 6.643 1.00 1.00 O ATOM 0 H SER A 29 33.094 -12.468 9.465 1.00 1.00 H new ATOM 0 HA SER A 29 35.519 -13.086 8.050 1.00 1.00 H new ATOM 0 HB2 SER A 29 34.122 -13.406 6.173 1.00 1.00 H new ATOM 0 HB3 SER A 29 33.048 -13.792 7.503 1.00 1.00 H new ATOM 0 HG SER A 29 32.004 -11.870 7.278 1.00 1.00 H new ATOM 429 N VAL A 30 34.944 -10.049 8.435 1.00 1.00 N ATOM 430 CA VAL A 30 35.331 -8.677 8.094 1.00 1.00 C ATOM 431 C VAL A 30 36.781 -8.590 7.606 1.00 1.00 C ATOM 432 O VAL A 30 37.269 -7.504 7.312 1.00 1.00 O ATOM 433 CB VAL A 30 35.146 -7.766 9.312 1.00 1.00 C ATOM 434 CG1 VAL A 30 33.631 -7.591 9.602 1.00 1.00 C ATOM 435 CG2 VAL A 30 35.892 -8.361 10.537 1.00 1.00 C ATOM 0 H VAL A 30 34.565 -10.160 9.375 1.00 1.00 H new ATOM 0 HA VAL A 30 34.686 -8.350 7.279 1.00 1.00 H new ATOM 0 HB VAL A 30 35.572 -6.784 9.107 1.00 1.00 H new ATOM 0 HG11 VAL A 30 33.499 -6.943 10.468 1.00 1.00 H new ATOM 0 HG12 VAL A 30 33.144 -7.143 8.736 1.00 1.00 H new ATOM 0 HG13 VAL A 30 33.185 -8.564 9.806 1.00 1.00 H new ATOM 0 HG21 VAL A 30 35.756 -7.708 11.399 1.00 1.00 H new ATOM 0 HG22 VAL A 30 35.490 -9.349 10.763 1.00 1.00 H new ATOM 0 HG23 VAL A 30 36.955 -8.445 10.310 1.00 1.00 H new ATOM 445 N GLN A 31 37.459 -9.728 7.522 1.00 1.00 N ATOM 446 CA GLN A 31 38.848 -9.763 7.057 1.00 1.00 C ATOM 447 C GLN A 31 39.029 -8.856 5.846 1.00 1.00 C ATOM 448 O GLN A 31 40.149 -8.470 5.510 1.00 1.00 O ATOM 449 CB GLN A 31 39.213 -11.210 6.688 1.00 1.00 C ATOM 450 CG GLN A 31 39.148 -12.108 7.930 1.00 1.00 C ATOM 451 CD GLN A 31 40.267 -11.743 8.895 1.00 1.00 C ATOM 452 OE1 GLN A 31 40.104 -10.850 9.726 1.00 1.00 O ATOM 453 NE2 GLN A 31 41.402 -12.383 8.830 1.00 1.00 N ATOM 0 H GLN A 31 37.074 -10.640 7.768 1.00 1.00 H new ATOM 0 HA GLN A 31 39.503 -9.406 7.852 1.00 1.00 H new ATOM 0 HB2 GLN A 31 38.529 -11.582 5.926 1.00 1.00 H new ATOM 0 HB3 GLN A 31 40.215 -11.242 6.260 1.00 1.00 H new ATOM 0 HG2 GLN A 31 38.182 -11.994 8.421 1.00 1.00 H new ATOM 0 HG3 GLN A 31 39.236 -13.154 7.637 1.00 1.00 H new ATOM 0 HE21 GLN A 31 41.532 -13.122 8.139 1.00 1.00 H new ATOM 0 HE22 GLN A 31 42.160 -12.144 9.470 1.00 1.00 H new ATOM 462 N GLU A 32 37.925 -8.490 5.219 1.00 1.00 N ATOM 463 CA GLU A 32 37.986 -7.601 4.078 1.00 1.00 C ATOM 464 C GLU A 32 38.330 -6.193 4.550 1.00 1.00 C ATOM 465 O GLU A 32 38.504 -5.281 3.742 1.00 1.00 O ATOM 466 CB GLU A 32 36.639 -7.587 3.354 1.00 1.00 C ATOM 467 CG GLU A 32 36.404 -8.937 2.675 1.00 1.00 C ATOM 468 CD GLU A 32 35.025 -8.959 2.024 1.00 1.00 C ATOM 469 OE1 GLU A 32 34.085 -8.504 2.654 1.00 1.00 O ATOM 470 OE2 GLU A 32 34.931 -9.428 0.901 1.00 1.00 O ATOM 0 H GLU A 32 36.986 -8.792 5.479 1.00 1.00 H new ATOM 0 HA GLU A 32 38.755 -7.952 3.390 1.00 1.00 H new ATOM 0 HB2 GLU A 32 35.837 -7.381 4.062 1.00 1.00 H new ATOM 0 HB3 GLU A 32 36.622 -6.788 2.612 1.00 1.00 H new ATOM 0 HG2 GLU A 32 37.173 -9.114 1.923 1.00 1.00 H new ATOM 0 HG3 GLU A 32 36.483 -9.741 3.407 1.00 1.00 H new ATOM 477 N SER A 33 38.434 -6.031 5.870 1.00 1.00 N ATOM 478 CA SER A 33 38.765 -4.739 6.449 1.00 1.00 C ATOM 479 C SER A 33 40.087 -4.259 5.890 1.00 1.00 C ATOM 480 O SER A 33 40.434 -3.086 6.002 1.00 1.00 O ATOM 481 CB SER A 33 38.843 -4.829 7.974 1.00 1.00 C ATOM 482 OG SER A 33 39.030 -3.525 8.517 1.00 1.00 O ATOM 0 H SER A 33 38.294 -6.777 6.551 1.00 1.00 H new ATOM 0 HA SER A 33 37.980 -4.029 6.190 1.00 1.00 H new ATOM 0 HB2 SER A 33 37.929 -5.272 8.370 1.00 1.00 H new ATOM 0 HB3 SER A 33 39.667 -5.479 8.269 1.00 1.00 H new ATOM 0 HG SER A 33 39.468 -2.954 7.852 1.00 1.00 H new ATOM 488 N GLN A 34 40.827 -5.179 5.289 1.00 1.00 N ATOM 489 CA GLN A 34 42.121 -4.820 4.712 1.00 1.00 C ATOM 490 C GLN A 34 41.999 -3.570 3.846 1.00 1.00 C ATOM 491 O GLN A 34 43.012 -3.012 3.425 1.00 1.00 O ATOM 492 CB GLN A 34 42.682 -5.961 3.874 1.00 1.00 C ATOM 493 CG GLN A 34 43.138 -7.079 4.802 1.00 1.00 C ATOM 494 CD GLN A 34 43.679 -8.240 3.984 1.00 1.00 C ATOM 495 OE1 GLN A 34 42.952 -8.829 3.184 1.00 1.00 O ATOM 496 NE2 GLN A 34 44.922 -8.604 4.135 1.00 1.00 N ATOM 0 H GLN A 34 40.565 -6.159 5.187 1.00 1.00 H new ATOM 0 HA GLN A 34 42.803 -4.619 5.538 1.00 1.00 H new ATOM 0 HB2 GLN A 34 41.923 -6.330 3.184 1.00 1.00 H new ATOM 0 HB3 GLN A 34 43.518 -5.609 3.270 1.00 1.00 H new ATOM 0 HG2 GLN A 34 43.908 -6.710 5.480 1.00 1.00 H new ATOM 0 HG3 GLN A 34 42.304 -7.414 5.419 1.00 1.00 H new ATOM 0 HE21 GLN A 34 45.520 -8.113 4.799 1.00 1.00 H new ATOM 0 HE22 GLN A 34 45.296 -9.380 3.589 1.00 1.00 H new ATOM 505 N VAL A 35 40.763 -3.153 3.560 1.00 1.00 N ATOM 506 CA VAL A 35 40.519 -1.965 2.732 1.00 1.00 C ATOM 507 C VAL A 35 41.528 -0.851 3.063 1.00 1.00 C ATOM 508 O VAL A 35 41.726 0.076 2.287 1.00 1.00 O ATOM 509 CB VAL A 35 39.078 -1.461 2.970 1.00 1.00 C ATOM 510 CG1 VAL A 35 38.997 -0.660 4.283 1.00 1.00 C ATOM 511 CG2 VAL A 35 38.640 -0.567 1.802 1.00 1.00 C ATOM 0 H VAL A 35 39.916 -3.618 3.888 1.00 1.00 H new ATOM 0 HA VAL A 35 40.644 -2.236 1.684 1.00 1.00 H new ATOM 0 HB VAL A 35 38.417 -2.325 3.040 1.00 1.00 H new ATOM 0 HG11 VAL A 35 37.975 -0.313 4.435 1.00 1.00 H new ATOM 0 HG12 VAL A 35 39.291 -1.297 5.117 1.00 1.00 H new ATOM 0 HG13 VAL A 35 39.667 0.198 4.228 1.00 1.00 H new ATOM 0 HG21 VAL A 35 37.623 -0.214 1.975 1.00 1.00 H new ATOM 0 HG22 VAL A 35 39.312 0.288 1.726 1.00 1.00 H new ATOM 0 HG23 VAL A 35 38.673 -1.138 0.874 1.00 1.00 H new ATOM 521 N ALA A 36 42.192 -0.970 4.204 1.00 1.00 N ATOM 522 CA ALA A 36 43.201 0.006 4.590 1.00 1.00 C ATOM 523 C ALA A 36 44.166 0.215 3.427 1.00 1.00 C ATOM 524 O ALA A 36 44.206 1.292 2.835 1.00 1.00 O ATOM 525 CB ALA A 36 43.953 -0.509 5.818 1.00 1.00 C ATOM 0 H ALA A 36 42.052 -1.726 4.874 1.00 1.00 H new ATOM 0 HA ALA A 36 42.729 0.958 4.835 1.00 1.00 H new ATOM 0 HB1 ALA A 36 44.710 0.218 6.112 1.00 1.00 H new ATOM 0 HB2 ALA A 36 43.252 -0.655 6.639 1.00 1.00 H new ATOM 0 HB3 ALA A 36 44.434 -1.458 5.579 1.00 1.00 H new ATOM 531 N GLN A 37 44.936 -0.831 3.110 1.00 1.00 N ATOM 532 CA GLN A 37 45.903 -0.753 2.008 1.00 1.00 C ATOM 533 C GLN A 37 45.287 0.031 0.850 1.00 1.00 C ATOM 534 O GLN A 37 45.949 0.842 0.207 1.00 1.00 O ATOM 535 CB GLN A 37 46.305 -2.154 1.541 1.00 1.00 C ATOM 536 CG GLN A 37 47.330 -2.044 0.409 1.00 1.00 C ATOM 537 CD GLN A 37 47.882 -3.427 0.077 1.00 1.00 C ATOM 538 OE1 GLN A 37 47.773 -4.349 0.885 1.00 1.00 O ATOM 539 NE2 GLN A 37 48.469 -3.626 -1.071 1.00 1.00 N ATOM 0 H GLN A 37 44.911 -1.730 3.592 1.00 1.00 H new ATOM 0 HA GLN A 37 46.800 -0.242 2.358 1.00 1.00 H new ATOM 0 HB2 GLN A 37 46.726 -2.719 2.373 1.00 1.00 H new ATOM 0 HB3 GLN A 37 45.426 -2.700 1.198 1.00 1.00 H new ATOM 0 HG2 GLN A 37 46.865 -1.606 -0.474 1.00 1.00 H new ATOM 0 HG3 GLN A 37 48.142 -1.379 0.704 1.00 1.00 H new ATOM 0 HE21 GLN A 37 48.558 -2.860 -1.738 1.00 1.00 H new ATOM 0 HE22 GLN A 37 48.839 -4.548 -1.301 1.00 1.00 H new ATOM 548 N GLN A 38 44.021 -0.230 0.574 1.00 1.00 N ATOM 549 CA GLN A 38 43.336 0.462 -0.507 1.00 1.00 C ATOM 550 C GLN A 38 43.209 1.950 -0.168 1.00 1.00 C ATOM 551 O GLN A 38 43.787 2.800 -0.839 1.00 1.00 O ATOM 552 CB GLN A 38 41.940 -0.147 -0.683 1.00 1.00 C ATOM 553 CG GLN A 38 41.360 0.253 -2.030 1.00 1.00 C ATOM 554 CD GLN A 38 42.112 -0.457 -3.140 1.00 1.00 C ATOM 555 OE1 GLN A 38 42.338 -1.665 -3.066 1.00 1.00 O ATOM 556 NE2 GLN A 38 42.521 0.226 -4.168 1.00 1.00 N ATOM 0 H GLN A 38 43.450 -0.909 1.077 1.00 1.00 H new ATOM 0 HA GLN A 38 43.904 0.355 -1.431 1.00 1.00 H new ATOM 0 HB2 GLN A 38 41.997 -1.233 -0.611 1.00 1.00 H new ATOM 0 HB3 GLN A 38 41.284 0.191 0.119 1.00 1.00 H new ATOM 0 HG2 GLN A 38 40.302 -0.004 -2.072 1.00 1.00 H new ATOM 0 HG3 GLN A 38 41.431 1.333 -2.162 1.00 1.00 H new ATOM 0 HE21 GLN A 38 42.331 1.227 -4.224 1.00 1.00 H new ATOM 0 HE22 GLN A 38 43.032 -0.239 -4.919 1.00 1.00 H new ATOM 565 N ALA A 39 42.437 2.249 0.874 1.00 1.00 N ATOM 566 CA ALA A 39 42.231 3.641 1.287 1.00 1.00 C ATOM 567 C ALA A 39 43.554 4.397 1.252 1.00 1.00 C ATOM 568 O ALA A 39 43.682 5.413 0.570 1.00 1.00 O ATOM 569 CB ALA A 39 41.646 3.696 2.702 1.00 1.00 C ATOM 0 H ALA A 39 41.948 1.558 1.444 1.00 1.00 H new ATOM 0 HA ALA A 39 41.530 4.108 0.595 1.00 1.00 H new ATOM 0 HB1 ALA A 39 41.499 4.736 2.995 1.00 1.00 H new ATOM 0 HB2 ALA A 39 40.689 3.175 2.721 1.00 1.00 H new ATOM 0 HB3 ALA A 39 42.334 3.217 3.399 1.00 1.00 H new ATOM 575 N ARG A 40 44.537 3.890 1.983 1.00 1.00 N ATOM 576 CA ARG A 40 45.860 4.524 2.025 1.00 1.00 C ATOM 577 C ARG A 40 46.465 4.574 0.621 1.00 1.00 C ATOM 578 O ARG A 40 47.517 5.147 0.403 1.00 1.00 O ATOM 579 CB ARG A 40 46.779 3.767 3.015 1.00 1.00 C ATOM 580 CG ARG A 40 47.631 2.724 2.265 1.00 1.00 C ATOM 581 CD ARG A 40 48.314 1.778 3.240 1.00 1.00 C ATOM 582 NE ARG A 40 49.310 2.498 4.005 1.00 1.00 N ATOM 583 CZ ARG A 40 50.063 1.872 4.889 1.00 1.00 C ATOM 584 NH1 ARG A 40 49.941 0.584 5.047 1.00 1.00 N ATOM 585 NH2 ARG A 40 50.929 2.542 5.591 1.00 1.00 N ATOM 0 H ARG A 40 44.451 3.048 2.553 1.00 1.00 H new ATOM 0 HA ARG A 40 45.759 5.550 2.380 1.00 1.00 H new ATOM 0 HB2 ARG A 40 47.429 4.474 3.531 1.00 1.00 H new ATOM 0 HB3 ARG A 40 46.176 3.273 3.777 1.00 1.00 H new ATOM 0 HG2 ARG A 40 46.999 2.155 1.583 1.00 1.00 H new ATOM 0 HG3 ARG A 40 48.381 3.230 1.658 1.00 1.00 H new ATOM 0 HD2 ARG A 40 47.576 1.337 3.910 1.00 1.00 H new ATOM 0 HD3 ARG A 40 48.782 0.957 2.697 1.00 1.00 H new ATOM 0 HE ARG A 40 49.431 3.500 3.859 1.00 1.00 H new ATOM 0 HH11 ARG A 40 49.265 0.063 4.488 1.00 1.00 H new ATOM 0 HH12 ARG A 40 50.522 0.097 5.730 1.00 1.00 H new ATOM 0 HH21 ARG A 40 51.025 3.549 5.457 1.00 1.00 H new ATOM 0 HH22 ARG A 40 51.513 2.061 6.275 1.00 1.00 H new ATOM 599 N GLY A 41 45.764 3.952 -0.298 1.00 1.00 N ATOM 600 CA GLY A 41 46.187 3.918 -1.686 1.00 1.00 C ATOM 601 C GLY A 41 45.836 5.236 -2.353 1.00 1.00 C ATOM 602 O GLY A 41 46.701 5.945 -2.866 1.00 1.00 O ATOM 0 H GLY A 41 44.891 3.458 -0.111 1.00 1.00 H new ATOM 0 HA2 GLY A 41 47.261 3.742 -1.746 1.00 1.00 H new ATOM 0 HA3 GLY A 41 45.699 3.093 -2.206 1.00 1.00 H new ATOM 606 N TRP A 42 44.544 5.529 -2.370 1.00 1.00 N ATOM 607 CA TRP A 42 44.047 6.745 -3.018 1.00 1.00 C ATOM 608 C TRP A 42 44.916 7.946 -2.652 1.00 1.00 C ATOM 609 O TRP A 42 44.866 8.988 -3.307 1.00 1.00 O ATOM 610 CB TRP A 42 42.596 7.012 -2.606 1.00 1.00 C ATOM 611 CG TRP A 42 41.686 6.021 -3.262 1.00 1.00 C ATOM 612 CD1 TRP A 42 41.199 4.908 -2.669 1.00 1.00 C ATOM 613 CD2 TRP A 42 41.139 6.036 -4.614 1.00 1.00 C ATOM 614 NE1 TRP A 42 40.391 4.237 -3.569 1.00 1.00 N ATOM 615 CE2 TRP A 42 40.322 4.890 -4.782 1.00 1.00 C ATOM 616 CE3 TRP A 42 41.270 6.919 -5.700 1.00 1.00 C ATOM 617 CZ2 TRP A 42 39.659 4.632 -5.982 1.00 1.00 C ATOM 618 CZ3 TRP A 42 40.603 6.661 -6.911 1.00 1.00 C ATOM 619 CH2 TRP A 42 39.801 5.521 -7.051 1.00 1.00 C ATOM 0 H TRP A 42 43.820 4.948 -1.946 1.00 1.00 H new ATOM 0 HA TRP A 42 44.091 6.597 -4.097 1.00 1.00 H new ATOM 0 HB2 TRP A 42 42.499 6.945 -1.522 1.00 1.00 H new ATOM 0 HB3 TRP A 42 42.309 8.025 -2.890 1.00 1.00 H new ATOM 0 HD1 TRP A 42 41.407 4.594 -1.657 1.00 1.00 H new ATOM 0 HE1 TRP A 42 39.905 3.365 -3.361 1.00 1.00 H new ATOM 0 HE3 TRP A 42 41.886 7.801 -5.604 1.00 1.00 H new ATOM 0 HZ2 TRP A 42 39.041 3.752 -6.084 1.00 1.00 H new ATOM 0 HZ3 TRP A 42 40.710 7.346 -7.739 1.00 1.00 H new ATOM 0 HH2 TRP A 42 39.293 5.329 -7.984 1.00 1.00 H new ATOM 630 N VAL A 43 45.730 7.780 -1.621 1.00 1.00 N ATOM 631 CA VAL A 43 46.628 8.842 -1.182 1.00 1.00 C ATOM 632 C VAL A 43 47.559 9.248 -2.329 1.00 1.00 C ATOM 633 O VAL A 43 47.716 10.429 -2.644 1.00 1.00 O ATOM 634 CB VAL A 43 47.434 8.357 0.036 1.00 1.00 C ATOM 635 CG1 VAL A 43 48.564 7.409 -0.386 1.00 1.00 C ATOM 636 CG2 VAL A 43 48.038 9.559 0.753 1.00 1.00 C ATOM 0 H VAL A 43 45.789 6.922 -1.072 1.00 1.00 H new ATOM 0 HA VAL A 43 46.048 9.718 -0.891 1.00 1.00 H new ATOM 0 HB VAL A 43 46.757 7.817 0.698 1.00 1.00 H new ATOM 0 HG11 VAL A 43 49.115 7.084 0.497 1.00 1.00 H new ATOM 0 HG12 VAL A 43 48.141 6.540 -0.890 1.00 1.00 H new ATOM 0 HG13 VAL A 43 49.240 7.929 -1.065 1.00 1.00 H new ATOM 0 HG21 VAL A 43 48.610 9.218 1.616 1.00 1.00 H new ATOM 0 HG22 VAL A 43 48.697 10.096 0.071 1.00 1.00 H new ATOM 0 HG23 VAL A 43 47.240 10.223 1.085 1.00 1.00 H new ATOM 646 N THR A 44 48.183 8.242 -2.929 1.00 1.00 N ATOM 647 CA THR A 44 49.123 8.474 -4.020 1.00 1.00 C ATOM 648 C THR A 44 48.412 9.199 -5.144 1.00 1.00 C ATOM 649 O THR A 44 48.971 10.096 -5.773 1.00 1.00 O ATOM 650 CB THR A 44 49.712 7.154 -4.534 1.00 1.00 C ATOM 651 OG1 THR A 44 50.173 6.381 -3.435 1.00 1.00 O ATOM 652 CG2 THR A 44 50.881 7.450 -5.481 1.00 1.00 C ATOM 0 H THR A 44 48.056 7.261 -2.680 1.00 1.00 H new ATOM 0 HA THR A 44 49.946 9.084 -3.649 1.00 1.00 H new ATOM 0 HB THR A 44 48.944 6.597 -5.071 1.00 1.00 H new ATOM 0 HG1 THR A 44 50.548 5.537 -3.763 1.00 1.00 H new ATOM 0 HG21 THR A 44 51.300 6.512 -5.846 1.00 1.00 H new ATOM 0 HG22 THR A 44 50.525 8.042 -6.325 1.00 1.00 H new ATOM 0 HG23 THR A 44 51.650 8.007 -4.946 1.00 1.00 H new ATOM 660 N ASP A 45 47.168 8.814 -5.377 1.00 1.00 N ATOM 661 CA ASP A 45 46.370 9.440 -6.417 1.00 1.00 C ATOM 662 C ASP A 45 45.900 10.822 -5.963 1.00 1.00 C ATOM 663 O ASP A 45 45.020 11.418 -6.581 1.00 1.00 O ATOM 664 CB ASP A 45 45.157 8.565 -6.740 1.00 1.00 C ATOM 665 CG ASP A 45 44.512 9.026 -8.041 1.00 1.00 C ATOM 666 OD1 ASP A 45 44.925 10.054 -8.551 1.00 1.00 O ATOM 667 OD2 ASP A 45 43.620 8.341 -8.513 1.00 1.00 O ATOM 0 H ASP A 45 46.691 8.074 -4.862 1.00 1.00 H new ATOM 0 HA ASP A 45 46.984 9.550 -7.311 1.00 1.00 H new ATOM 0 HB2 ASP A 45 45.463 7.522 -6.826 1.00 1.00 H new ATOM 0 HB3 ASP A 45 44.433 8.619 -5.927 1.00 1.00 H new ATOM 672 N GLY A 46 46.505 11.340 -4.892 1.00 1.00 N ATOM 673 CA GLY A 46 46.133 12.667 -4.401 1.00 1.00 C ATOM 674 C GLY A 46 44.652 12.717 -4.040 1.00 1.00 C ATOM 675 O GLY A 46 43.923 13.595 -4.504 1.00 1.00 O ATOM 0 H GLY A 46 47.238 10.873 -4.359 1.00 1.00 H new ATOM 0 HA2 GLY A 46 46.733 12.917 -3.526 1.00 1.00 H new ATOM 0 HA3 GLY A 46 46.352 13.416 -5.163 1.00 1.00 H new ATOM 679 N PHE A 47 44.214 11.792 -3.190 1.00 1.00 N ATOM 680 CA PHE A 47 42.820 11.763 -2.752 1.00 1.00 C ATOM 681 C PHE A 47 42.362 13.141 -2.266 1.00 1.00 C ATOM 682 O PHE A 47 41.164 13.411 -2.177 1.00 1.00 O ATOM 683 CB PHE A 47 42.648 10.722 -1.630 1.00 1.00 C ATOM 684 CG PHE A 47 43.020 11.328 -0.288 1.00 1.00 C ATOM 685 CD1 PHE A 47 44.317 11.813 -0.081 1.00 1.00 C ATOM 686 CD2 PHE A 47 42.068 11.420 0.735 1.00 1.00 C ATOM 687 CE1 PHE A 47 44.664 12.383 1.149 1.00 1.00 C ATOM 688 CE2 PHE A 47 42.415 11.991 1.965 1.00 1.00 C ATOM 689 CZ PHE A 47 43.714 12.472 2.172 1.00 1.00 C ATOM 0 H PHE A 47 44.799 11.057 -2.793 1.00 1.00 H new ATOM 0 HA PHE A 47 42.200 11.485 -3.604 1.00 1.00 H new ATOM 0 HB2 PHE A 47 41.616 10.371 -1.605 1.00 1.00 H new ATOM 0 HB3 PHE A 47 43.275 9.853 -1.831 1.00 1.00 H new ATOM 0 HD1 PHE A 47 45.050 11.747 -0.871 1.00 1.00 H new ATOM 0 HD2 PHE A 47 41.066 11.050 0.575 1.00 1.00 H new ATOM 0 HE1 PHE A 47 45.666 12.754 1.309 1.00 1.00 H new ATOM 0 HE2 PHE A 47 41.681 12.061 2.754 1.00 1.00 H new ATOM 0 HZ PHE A 47 43.982 12.912 3.121 1.00 1.00 H new ATOM 699 N SER A 48 43.324 13.995 -1.928 1.00 1.00 N ATOM 700 CA SER A 48 43.006 15.323 -1.417 1.00 1.00 C ATOM 701 C SER A 48 41.933 15.976 -2.270 1.00 1.00 C ATOM 702 O SER A 48 41.202 16.849 -1.801 1.00 1.00 O ATOM 703 CB SER A 48 44.259 16.196 -1.412 1.00 1.00 C ATOM 704 OG SER A 48 45.180 15.694 -0.452 1.00 1.00 O ATOM 0 H SER A 48 44.321 13.793 -1.998 1.00 1.00 H new ATOM 0 HA SER A 48 42.634 15.221 -0.398 1.00 1.00 H new ATOM 0 HB2 SER A 48 44.715 16.202 -2.402 1.00 1.00 H new ATOM 0 HB3 SER A 48 43.996 17.227 -1.176 1.00 1.00 H new ATOM 0 HG SER A 48 45.986 16.252 -0.449 1.00 1.00 H new ATOM 710 N SER A 49 41.839 15.557 -3.523 1.00 1.00 N ATOM 711 CA SER A 49 40.852 16.123 -4.427 1.00 1.00 C ATOM 712 C SER A 49 39.469 16.099 -3.792 1.00 1.00 C ATOM 713 O SER A 49 38.539 16.722 -4.302 1.00 1.00 O ATOM 714 CB SER A 49 40.828 15.319 -5.728 1.00 1.00 C ATOM 715 OG SER A 49 39.878 15.890 -6.619 1.00 1.00 O ATOM 0 H SER A 49 42.429 14.833 -3.933 1.00 1.00 H new ATOM 0 HA SER A 49 41.124 17.157 -4.637 1.00 1.00 H new ATOM 0 HB2 SER A 49 41.817 15.318 -6.186 1.00 1.00 H new ATOM 0 HB3 SER A 49 40.571 14.280 -5.522 1.00 1.00 H new ATOM 0 HG SER A 49 39.192 16.366 -6.105 1.00 1.00 H new ATOM 721 N LEU A 50 39.339 15.421 -2.653 1.00 1.00 N ATOM 722 CA LEU A 50 38.063 15.383 -1.953 1.00 1.00 C ATOM 723 C LEU A 50 37.885 16.670 -1.164 1.00 1.00 C ATOM 724 O LEU A 50 36.768 17.141 -0.969 1.00 1.00 O ATOM 725 CB LEU A 50 38.002 14.184 -1.004 1.00 1.00 C ATOM 726 CG LEU A 50 38.014 12.877 -1.813 1.00 1.00 C ATOM 727 CD1 LEU A 50 38.137 11.689 -0.851 1.00 1.00 C ATOM 728 CD2 LEU A 50 36.722 12.742 -2.650 1.00 1.00 C ATOM 0 H LEU A 50 40.091 14.899 -2.203 1.00 1.00 H new ATOM 0 HA LEU A 50 37.262 15.284 -2.686 1.00 1.00 H new ATOM 0 HB2 LEU A 50 38.850 14.207 -0.320 1.00 1.00 H new ATOM 0 HB3 LEU A 50 37.100 14.237 -0.395 1.00 1.00 H new ATOM 0 HG LEU A 50 38.865 12.890 -2.495 1.00 1.00 H new ATOM 0 HD11 LEU A 50 38.146 10.759 -1.420 1.00 1.00 H new ATOM 0 HD12 LEU A 50 39.063 11.775 -0.283 1.00 1.00 H new ATOM 0 HD13 LEU A 50 37.290 11.687 -0.166 1.00 1.00 H new ATOM 0 HD21 LEU A 50 36.750 11.810 -3.215 1.00 1.00 H new ATOM 0 HD22 LEU A 50 35.857 12.738 -1.986 1.00 1.00 H new ATOM 0 HD23 LEU A 50 36.646 13.583 -3.340 1.00 1.00 H new ATOM 740 N LYS A 51 39.003 17.241 -0.720 1.00 1.00 N ATOM 741 CA LYS A 51 38.963 18.477 0.050 1.00 1.00 C ATOM 742 C LYS A 51 38.286 19.580 -0.757 1.00 1.00 C ATOM 743 O LYS A 51 37.418 20.290 -0.255 1.00 1.00 O ATOM 744 CB LYS A 51 40.387 18.907 0.424 1.00 1.00 C ATOM 745 CG LYS A 51 40.354 19.931 1.574 1.00 1.00 C ATOM 746 CD LYS A 51 40.311 19.211 2.928 1.00 1.00 C ATOM 747 CE LYS A 51 40.348 20.241 4.055 1.00 1.00 C ATOM 748 NZ LYS A 51 40.289 19.535 5.363 1.00 1.00 N ATOM 0 H LYS A 51 39.939 16.869 -0.880 1.00 1.00 H new ATOM 0 HA LYS A 51 38.390 18.303 0.961 1.00 1.00 H new ATOM 0 HB2 LYS A 51 40.971 18.036 0.721 1.00 1.00 H new ATOM 0 HB3 LYS A 51 40.882 19.342 -0.444 1.00 1.00 H new ATOM 0 HG2 LYS A 51 41.234 20.573 1.524 1.00 1.00 H new ATOM 0 HG3 LYS A 51 39.482 20.577 1.470 1.00 1.00 H new ATOM 0 HD2 LYS A 51 39.406 18.608 3.002 1.00 1.00 H new ATOM 0 HD3 LYS A 51 41.157 18.529 3.016 1.00 1.00 H new ATOM 0 HE2 LYS A 51 41.259 20.837 3.990 1.00 1.00 H new ATOM 0 HE3 LYS A 51 39.509 20.930 3.962 1.00 1.00 H new ATOM 0 HZ1 LYS A 51 40.076 20.219 6.117 1.00 1.00 H new ATOM 0 HZ2 LYS A 51 39.544 18.810 5.333 1.00 1.00 H new ATOM 0 HZ3 LYS A 51 41.206 19.082 5.555 1.00 1.00 H new ATOM 762 N ASP A 52 38.687 19.701 -2.012 1.00 1.00 N ATOM 763 CA ASP A 52 38.107 20.709 -2.888 1.00 1.00 C ATOM 764 C ASP A 52 36.600 20.514 -2.973 1.00 1.00 C ATOM 765 O ASP A 52 35.827 21.386 -2.576 1.00 1.00 O ATOM 766 CB ASP A 52 38.729 20.628 -4.282 1.00 1.00 C ATOM 767 CG ASP A 52 40.200 21.024 -4.214 1.00 1.00 C ATOM 768 OD1 ASP A 52 40.576 21.669 -3.250 1.00 1.00 O ATOM 769 OD2 ASP A 52 40.930 20.677 -5.129 1.00 1.00 O ATOM 0 H ASP A 52 39.405 19.120 -2.445 1.00 1.00 H new ATOM 0 HA ASP A 52 38.316 21.696 -2.474 1.00 1.00 H new ATOM 0 HB2 ASP A 52 38.633 19.616 -4.675 1.00 1.00 H new ATOM 0 HB3 ASP A 52 38.196 21.288 -4.967 1.00 1.00 H new ATOM 774 N TYR A 53 36.191 19.372 -3.508 1.00 1.00 N ATOM 775 CA TYR A 53 34.775 19.083 -3.661 1.00 1.00 C ATOM 776 C TYR A 53 34.089 19.102 -2.300 1.00 1.00 C ATOM 777 O TYR A 53 33.001 19.655 -2.157 1.00 1.00 O ATOM 778 CB TYR A 53 34.589 17.707 -4.312 1.00 1.00 C ATOM 779 CG TYR A 53 33.128 17.482 -4.634 1.00 1.00 C ATOM 780 CD1 TYR A 53 32.553 18.131 -5.732 1.00 1.00 C ATOM 781 CD2 TYR A 53 32.352 16.622 -3.843 1.00 1.00 C ATOM 782 CE1 TYR A 53 31.203 17.925 -6.041 1.00 1.00 C ATOM 783 CE2 TYR A 53 31.002 16.416 -4.153 1.00 1.00 C ATOM 784 CZ TYR A 53 30.428 17.068 -5.252 1.00 1.00 C ATOM 785 OH TYR A 53 29.097 16.868 -5.556 1.00 1.00 O ATOM 0 H TYR A 53 36.815 18.637 -3.840 1.00 1.00 H new ATOM 0 HA TYR A 53 34.327 19.845 -4.299 1.00 1.00 H new ATOM 0 HB2 TYR A 53 35.185 17.642 -5.222 1.00 1.00 H new ATOM 0 HB3 TYR A 53 34.947 16.926 -3.641 1.00 1.00 H new ATOM 0 HD1 TYR A 53 33.151 18.792 -6.342 1.00 1.00 H new ATOM 0 HD2 TYR A 53 32.795 16.119 -2.996 1.00 1.00 H new ATOM 0 HE1 TYR A 53 30.760 18.427 -6.888 1.00 1.00 H new ATOM 0 HE2 TYR A 53 30.403 15.754 -3.545 1.00 1.00 H new ATOM 0 HH TYR A 53 28.704 16.244 -4.911 1.00 1.00 H new ATOM 795 N TRP A 54 34.723 18.500 -1.300 1.00 1.00 N ATOM 796 CA TRP A 54 34.142 18.477 0.034 1.00 1.00 C ATOM 797 C TRP A 54 34.062 19.891 0.603 1.00 1.00 C ATOM 798 O TRP A 54 32.988 20.365 0.976 1.00 1.00 O ATOM 799 CB TRP A 54 35.006 17.611 0.950 1.00 1.00 C ATOM 800 CG TRP A 54 34.402 17.558 2.311 1.00 1.00 C ATOM 801 CD1 TRP A 54 33.142 17.158 2.582 1.00 1.00 C ATOM 802 CD2 TRP A 54 35.014 17.896 3.589 1.00 1.00 C ATOM 803 NE1 TRP A 54 32.935 17.236 3.946 1.00 1.00 N ATOM 804 CE2 TRP A 54 34.061 17.685 4.610 1.00 1.00 C ATOM 805 CE3 TRP A 54 36.290 18.364 3.958 1.00 1.00 C ATOM 806 CZ2 TRP A 54 34.359 17.926 5.952 1.00 1.00 C ATOM 807 CZ3 TRP A 54 36.594 18.608 5.309 1.00 1.00 C ATOM 808 CH2 TRP A 54 35.628 18.390 6.302 1.00 1.00 C ATOM 0 H TRP A 54 35.624 18.029 -1.386 1.00 1.00 H new ATOM 0 HA TRP A 54 33.136 18.063 -0.027 1.00 1.00 H new ATOM 0 HB2 TRP A 54 35.091 16.604 0.540 1.00 1.00 H new ATOM 0 HB3 TRP A 54 36.015 18.019 1.006 1.00 1.00 H new ATOM 0 HD1 TRP A 54 32.415 16.831 1.853 1.00 1.00 H new ATOM 0 HE1 TRP A 54 32.058 16.992 4.407 1.00 1.00 H new ATOM 0 HE3 TRP A 54 37.039 18.536 3.199 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 33.613 17.755 6.714 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 37.576 18.965 5.583 1.00 1.00 H new ATOM 0 HH2 TRP A 54 35.866 18.581 7.338 1.00 1.00 H new ATOM 819 N SER A 55 35.211 20.557 0.672 1.00 1.00 N ATOM 820 CA SER A 55 35.267 21.916 1.205 1.00 1.00 C ATOM 821 C SER A 55 34.180 22.780 0.577 1.00 1.00 C ATOM 822 O SER A 55 33.626 23.666 1.225 1.00 1.00 O ATOM 823 CB SER A 55 36.641 22.539 0.943 1.00 1.00 C ATOM 824 OG SER A 55 36.675 23.846 1.497 1.00 1.00 O ATOM 0 H SER A 55 36.110 20.182 0.368 1.00 1.00 H new ATOM 0 HA SER A 55 35.102 21.867 2.281 1.00 1.00 H new ATOM 0 HB2 SER A 55 37.423 21.923 1.386 1.00 1.00 H new ATOM 0 HB3 SER A 55 36.836 22.580 -0.129 1.00 1.00 H new ATOM 0 HG SER A 55 37.554 24.248 1.333 1.00 1.00 H new ATOM 830 N THR A 56 33.876 22.507 -0.687 1.00 1.00 N ATOM 831 CA THR A 56 32.840 23.263 -1.384 1.00 1.00 C ATOM 832 C THR A 56 31.448 22.792 -0.965 1.00 1.00 C ATOM 833 O THR A 56 30.763 23.469 -0.199 1.00 1.00 O ATOM 834 CB THR A 56 33.008 23.106 -2.896 1.00 1.00 C ATOM 835 OG1 THR A 56 33.248 21.742 -3.203 1.00 1.00 O ATOM 836 CG2 THR A 56 34.191 23.949 -3.365 1.00 1.00 C ATOM 0 H THR A 56 34.324 21.779 -1.244 1.00 1.00 H new ATOM 0 HA THR A 56 32.943 24.314 -1.116 1.00 1.00 H new ATOM 0 HB THR A 56 32.101 23.439 -3.401 1.00 1.00 H new ATOM 0 HG1 THR A 56 34.212 21.593 -3.297 1.00 1.00 H new ATOM 0 HG21 THR A 56 34.312 23.838 -4.443 1.00 1.00 H new ATOM 0 HG22 THR A 56 34.009 24.997 -3.126 1.00 1.00 H new ATOM 0 HG23 THR A 56 35.098 23.615 -2.862 1.00 1.00 H new ATOM 844 N VAL A 57 31.033 21.633 -1.485 1.00 1.00 N ATOM 845 CA VAL A 57 29.707 21.083 -1.179 1.00 1.00 C ATOM 846 C VAL A 57 29.339 21.346 0.277 1.00 1.00 C ATOM 847 O VAL A 57 28.391 22.076 0.564 1.00 1.00 O ATOM 848 CB VAL A 57 29.693 19.570 -1.444 1.00 1.00 C ATOM 849 CG1 VAL A 57 28.372 18.966 -0.945 1.00 1.00 C ATOM 850 CG2 VAL A 57 29.843 19.299 -2.948 1.00 1.00 C ATOM 0 H VAL A 57 31.592 21.059 -2.117 1.00 1.00 H new ATOM 0 HA VAL A 57 28.976 21.573 -1.822 1.00 1.00 H new ATOM 0 HB VAL A 57 30.526 19.111 -0.911 1.00 1.00 H new ATOM 0 HG11 VAL A 57 28.368 17.893 -1.136 1.00 1.00 H new ATOM 0 HG12 VAL A 57 28.272 19.145 0.126 1.00 1.00 H new ATOM 0 HG13 VAL A 57 27.538 19.431 -1.470 1.00 1.00 H new ATOM 0 HG21 VAL A 57 29.832 18.224 -3.127 1.00 1.00 H new ATOM 0 HG22 VAL A 57 29.017 19.765 -3.486 1.00 1.00 H new ATOM 0 HG23 VAL A 57 30.786 19.716 -3.300 1.00 1.00 H new ATOM 860 N LYS A 58 30.098 20.758 1.191 1.00 1.00 N ATOM 861 CA LYS A 58 29.843 20.947 2.614 1.00 1.00 C ATOM 862 C LYS A 58 29.518 22.409 2.908 1.00 1.00 C ATOM 863 O LYS A 58 28.426 22.729 3.371 1.00 1.00 O ATOM 864 CB LYS A 58 31.068 20.517 3.420 1.00 1.00 C ATOM 865 CG LYS A 58 30.786 20.691 4.914 1.00 1.00 C ATOM 866 CD LYS A 58 31.969 20.160 5.720 1.00 1.00 C ATOM 867 CE LYS A 58 31.710 20.380 7.212 1.00 1.00 C ATOM 868 NZ LYS A 58 30.509 19.603 7.628 1.00 1.00 N ATOM 0 H LYS A 58 30.889 20.151 0.977 1.00 1.00 H new ATOM 0 HA LYS A 58 28.988 20.335 2.901 1.00 1.00 H new ATOM 0 HB2 LYS A 58 31.311 19.477 3.204 1.00 1.00 H new ATOM 0 HB3 LYS A 58 31.934 21.113 3.131 1.00 1.00 H new ATOM 0 HG2 LYS A 58 30.619 21.743 5.143 1.00 1.00 H new ATOM 0 HG3 LYS A 58 29.876 20.157 5.188 1.00 1.00 H new ATOM 0 HD2 LYS A 58 32.113 19.099 5.518 1.00 1.00 H new ATOM 0 HD3 LYS A 58 32.885 20.669 5.420 1.00 1.00 H new ATOM 0 HE2 LYS A 58 32.578 20.067 7.793 1.00 1.00 H new ATOM 0 HE3 LYS A 58 31.558 21.440 7.413 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 30.513 19.484 8.661 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 29.649 20.113 7.341 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 30.525 18.668 7.172 1.00 1.00 H new ATOM 882 N ASP A 59 30.473 23.290 2.643 1.00 1.00 N ATOM 883 CA ASP A 59 30.263 24.707 2.894 1.00 1.00 C ATOM 884 C ASP A 59 29.079 25.216 2.086 1.00 1.00 C ATOM 885 O ASP A 59 28.223 25.930 2.606 1.00 1.00 O ATOM 886 CB ASP A 59 31.523 25.491 2.518 1.00 1.00 C ATOM 887 CG ASP A 59 32.635 25.211 3.526 1.00 1.00 C ATOM 888 OD1 ASP A 59 32.332 24.684 4.583 1.00 1.00 O ATOM 889 OD2 ASP A 59 33.774 25.525 3.223 1.00 1.00 O ATOM 0 H ASP A 59 31.388 23.052 2.260 1.00 1.00 H new ATOM 0 HA ASP A 59 30.052 24.849 3.954 1.00 1.00 H new ATOM 0 HB2 ASP A 59 31.850 25.211 1.517 1.00 1.00 H new ATOM 0 HB3 ASP A 59 31.303 26.558 2.494 1.00 1.00 H new ATOM 894 N LYS A 60 29.039 24.862 0.811 1.00 1.00 N ATOM 895 CA LYS A 60 27.966 25.307 -0.066 1.00 1.00 C ATOM 896 C LYS A 60 26.635 24.700 0.347 1.00 1.00 C ATOM 897 O LYS A 60 25.581 25.088 -0.156 1.00 1.00 O ATOM 898 CB LYS A 60 28.299 24.889 -1.505 1.00 1.00 C ATOM 899 CG LYS A 60 29.622 25.525 -1.969 1.00 1.00 C ATOM 900 CD LYS A 60 29.377 26.948 -2.473 1.00 1.00 C ATOM 901 CE LYS A 60 30.695 27.553 -2.960 1.00 1.00 C ATOM 902 NZ LYS A 60 31.162 26.818 -4.170 1.00 1.00 N ATOM 0 H LYS A 60 29.736 24.269 0.360 1.00 1.00 H new ATOM 0 HA LYS A 60 27.879 26.391 0.004 1.00 1.00 H new ATOM 0 HB2 LYS A 60 28.372 23.803 -1.565 1.00 1.00 H new ATOM 0 HB3 LYS A 60 27.492 25.191 -2.172 1.00 1.00 H new ATOM 0 HG2 LYS A 60 30.335 25.541 -1.144 1.00 1.00 H new ATOM 0 HG3 LYS A 60 30.065 24.922 -2.762 1.00 1.00 H new ATOM 0 HD2 LYS A 60 28.648 26.937 -3.284 1.00 1.00 H new ATOM 0 HD3 LYS A 60 28.957 27.560 -1.675 1.00 1.00 H new ATOM 0 HE2 LYS A 60 30.559 28.609 -3.193 1.00 1.00 H new ATOM 0 HE3 LYS A 60 31.447 27.495 -2.173 1.00 1.00 H new ATOM 0 HZ1 LYS A 60 31.853 27.400 -4.685 1.00 1.00 H new ATOM 0 HZ2 LYS A 60 31.608 25.924 -3.882 1.00 1.00 H new ATOM 0 HZ3 LYS A 60 30.351 26.617 -4.789 1.00 1.00 H new ATOM 916 N PHE A 61 26.683 23.758 1.269 1.00 1.00 N ATOM 917 CA PHE A 61 25.464 23.130 1.733 1.00 1.00 C ATOM 918 C PHE A 61 24.610 24.162 2.458 1.00 1.00 C ATOM 919 O PHE A 61 23.396 24.004 2.580 1.00 1.00 O ATOM 920 CB PHE A 61 25.805 21.981 2.684 1.00 1.00 C ATOM 921 CG PHE A 61 24.584 21.119 2.901 1.00 1.00 C ATOM 922 CD1 PHE A 61 24.148 20.265 1.882 1.00 1.00 C ATOM 923 CD2 PHE A 61 23.891 21.169 4.117 1.00 1.00 C ATOM 924 CE1 PHE A 61 23.020 19.462 2.076 1.00 1.00 C ATOM 925 CE2 PHE A 61 22.762 20.365 4.312 1.00 1.00 C ATOM 926 CZ PHE A 61 22.326 19.512 3.292 1.00 1.00 C ATOM 0 H PHE A 61 27.539 23.416 1.705 1.00 1.00 H new ATOM 0 HA PHE A 61 24.911 22.735 0.881 1.00 1.00 H new ATOM 0 HB2 PHE A 61 26.616 21.382 2.270 1.00 1.00 H new ATOM 0 HB3 PHE A 61 26.156 22.377 3.637 1.00 1.00 H new ATOM 0 HD1 PHE A 61 24.683 20.226 0.945 1.00 1.00 H new ATOM 0 HD2 PHE A 61 24.228 21.828 4.904 1.00 1.00 H new ATOM 0 HE1 PHE A 61 22.684 18.803 1.289 1.00 1.00 H new ATOM 0 HE2 PHE A 61 22.227 20.403 5.250 1.00 1.00 H new ATOM 0 HZ PHE A 61 21.454 18.892 3.442 1.00 1.00 H new ATOM 936 N SER A 62 25.256 25.230 2.922 1.00 1.00 N ATOM 937 CA SER A 62 24.538 26.295 3.618 1.00 1.00 C ATOM 938 C SER A 62 23.684 27.112 2.654 1.00 1.00 C ATOM 939 O SER A 62 22.491 27.321 2.882 1.00 1.00 O ATOM 940 CB SER A 62 25.514 27.211 4.358 1.00 1.00 C ATOM 941 OG SER A 62 24.813 27.910 5.379 1.00 1.00 O ATOM 0 H SER A 62 26.261 25.380 2.831 1.00 1.00 H new ATOM 0 HA SER A 62 23.876 25.824 4.344 1.00 1.00 H new ATOM 0 HB2 SER A 62 26.324 26.625 4.792 1.00 1.00 H new ATOM 0 HB3 SER A 62 25.968 27.917 3.663 1.00 1.00 H new ATOM 0 HG SER A 62 25.434 28.498 5.858 1.00 1.00 H new ATOM 947 N GLU A 63 24.318 27.584 1.583 1.00 1.00 N ATOM 948 CA GLU A 63 23.632 28.396 0.581 1.00 1.00 C ATOM 949 C GLU A 63 22.748 27.538 -0.313 1.00 1.00 C ATOM 950 O GLU A 63 21.703 27.987 -0.781 1.00 1.00 O ATOM 951 CB GLU A 63 24.648 29.144 -0.275 1.00 1.00 C ATOM 952 CG GLU A 63 25.373 30.182 0.584 1.00 1.00 C ATOM 953 CD GLU A 63 26.434 30.895 -0.246 1.00 1.00 C ATOM 954 OE1 GLU A 63 26.573 30.556 -1.409 1.00 1.00 O ATOM 955 OE2 GLU A 63 27.093 31.767 0.294 1.00 1.00 O ATOM 0 H GLU A 63 25.305 27.418 1.387 1.00 1.00 H new ATOM 0 HA GLU A 63 23.000 29.111 1.108 1.00 1.00 H new ATOM 0 HB2 GLU A 63 25.366 28.444 -0.701 1.00 1.00 H new ATOM 0 HB3 GLU A 63 24.146 29.634 -1.110 1.00 1.00 H new ATOM 0 HG2 GLU A 63 24.658 30.906 0.975 1.00 1.00 H new ATOM 0 HG3 GLU A 63 25.837 29.696 1.442 1.00 1.00 H new ATOM 962 N PHE A 64 23.184 26.311 -0.571 1.00 1.00 N ATOM 963 CA PHE A 64 22.431 25.419 -1.440 1.00 1.00 C ATOM 964 C PHE A 64 21.008 25.254 -0.925 1.00 1.00 C ATOM 965 O PHE A 64 20.170 24.644 -1.586 1.00 1.00 O ATOM 966 CB PHE A 64 23.120 24.052 -1.484 1.00 1.00 C ATOM 967 CG PHE A 64 22.304 23.097 -2.326 1.00 1.00 C ATOM 968 CD1 PHE A 64 22.303 23.222 -3.719 1.00 1.00 C ATOM 969 CD2 PHE A 64 21.549 22.087 -1.713 1.00 1.00 C ATOM 970 CE1 PHE A 64 21.547 22.340 -4.502 1.00 1.00 C ATOM 971 CE2 PHE A 64 20.793 21.206 -2.495 1.00 1.00 C ATOM 972 CZ PHE A 64 20.792 21.332 -3.889 1.00 1.00 C ATOM 0 H PHE A 64 24.046 25.915 -0.195 1.00 1.00 H new ATOM 0 HA PHE A 64 22.395 25.848 -2.442 1.00 1.00 H new ATOM 0 HB2 PHE A 64 24.123 24.153 -1.899 1.00 1.00 H new ATOM 0 HB3 PHE A 64 23.231 23.657 -0.474 1.00 1.00 H new ATOM 0 HD1 PHE A 64 22.886 23.999 -4.191 1.00 1.00 H new ATOM 0 HD2 PHE A 64 21.551 21.989 -0.637 1.00 1.00 H new ATOM 0 HE1 PHE A 64 21.546 22.437 -5.578 1.00 1.00 H new ATOM 0 HE2 PHE A 64 20.210 20.429 -2.023 1.00 1.00 H new ATOM 0 HZ PHE A 64 20.209 20.652 -4.492 1.00 1.00 H new ATOM 982 N TRP A 65 20.730 25.818 0.248 1.00 1.00 N ATOM 983 CA TRP A 65 19.388 25.732 0.812 1.00 1.00 C ATOM 984 C TRP A 65 18.463 26.764 0.150 1.00 1.00 C ATOM 985 O TRP A 65 17.384 26.422 -0.336 1.00 1.00 O ATOM 986 CB TRP A 65 19.458 25.986 2.318 1.00 1.00 C ATOM 987 CG TRP A 65 18.102 25.823 2.915 1.00 1.00 C ATOM 988 CD1 TRP A 65 17.342 26.830 3.401 1.00 1.00 C ATOM 989 CD2 TRP A 65 17.332 24.602 3.096 1.00 1.00 C ATOM 990 NE1 TRP A 65 16.152 26.304 3.870 1.00 1.00 N ATOM 991 CE2 TRP A 65 16.099 24.934 3.704 1.00 1.00 C ATOM 992 CE3 TRP A 65 17.581 23.250 2.794 1.00 1.00 C ATOM 993 CZ2 TRP A 65 15.146 23.960 4.003 1.00 1.00 C ATOM 994 CZ3 TRP A 65 16.624 22.267 3.095 1.00 1.00 C ATOM 995 CH2 TRP A 65 15.409 22.622 3.697 1.00 1.00 C ATOM 0 H TRP A 65 21.404 26.331 0.817 1.00 1.00 H new ATOM 0 HA TRP A 65 18.984 24.737 0.626 1.00 1.00 H new ATOM 0 HB2 TRP A 65 20.157 25.290 2.782 1.00 1.00 H new ATOM 0 HB3 TRP A 65 19.833 26.991 2.511 1.00 1.00 H new ATOM 0 HD1 TRP A 65 17.619 27.874 3.420 1.00 1.00 H new ATOM 0 HE1 TRP A 65 15.405 26.860 4.287 1.00 1.00 H new ATOM 0 HE3 TRP A 65 18.513 22.967 2.328 1.00 1.00 H new ATOM 0 HZ2 TRP A 65 14.212 24.238 4.468 1.00 1.00 H new ATOM 0 HZ3 TRP A 65 16.825 21.232 2.861 1.00 1.00 H new ATOM 0 HH2 TRP A 65 14.676 21.862 3.924 1.00 1.00 H new ATOM 1006 N ASP A 66 18.908 28.022 0.121 1.00 1.00 N ATOM 1007 CA ASP A 66 18.137 29.106 -0.500 1.00 1.00 C ATOM 1008 C ASP A 66 18.446 29.199 -1.984 1.00 1.00 C ATOM 1009 O ASP A 66 19.560 29.544 -2.383 1.00 1.00 O ATOM 1010 CB ASP A 66 18.463 30.439 0.179 1.00 1.00 C ATOM 1011 CG ASP A 66 17.868 30.476 1.583 1.00 1.00 C ATOM 1012 OD1 ASP A 66 17.077 29.602 1.895 1.00 1.00 O ATOM 1013 OD2 ASP A 66 18.209 31.383 2.325 1.00 1.00 O ATOM 0 H ASP A 66 19.799 28.317 0.520 1.00 1.00 H new ATOM 0 HA ASP A 66 17.076 28.888 -0.375 1.00 1.00 H new ATOM 0 HB2 ASP A 66 19.543 30.574 0.231 1.00 1.00 H new ATOM 0 HB3 ASP A 66 18.066 31.264 -0.413 1.00 1.00 H new ATOM 1018 N LEU A 67 17.442 28.895 -2.791 1.00 1.00 N ATOM 1019 CA LEU A 67 17.567 28.941 -4.242 1.00 1.00 C ATOM 1020 C LEU A 67 17.204 30.325 -4.752 1.00 1.00 C ATOM 1021 O LEU A 67 17.001 31.258 -3.971 1.00 1.00 O ATOM 1022 CB LEU A 67 16.677 27.877 -4.898 1.00 1.00 C ATOM 1023 CG LEU A 67 17.351 26.493 -4.794 1.00 1.00 C ATOM 1024 CD1 LEU A 67 18.619 26.420 -5.684 1.00 1.00 C ATOM 1025 CD2 LEU A 67 17.720 26.224 -3.326 1.00 1.00 C ATOM 0 H LEU A 67 16.520 28.610 -2.462 1.00 1.00 H new ATOM 0 HA LEU A 67 18.602 28.728 -4.508 1.00 1.00 H new ATOM 0 HB2 LEU A 67 15.702 27.854 -4.410 1.00 1.00 H new ATOM 0 HB3 LEU A 67 16.504 28.129 -5.944 1.00 1.00 H new ATOM 0 HG LEU A 67 16.653 25.734 -5.147 1.00 1.00 H new ATOM 0 HD11 LEU A 67 19.073 25.433 -5.590 1.00 1.00 H new ATOM 0 HD12 LEU A 67 18.344 26.596 -6.724 1.00 1.00 H new ATOM 0 HD13 LEU A 67 19.332 27.179 -5.364 1.00 1.00 H new ATOM 0 HD21 LEU A 67 18.197 25.247 -3.244 1.00 1.00 H new ATOM 0 HD22 LEU A 67 18.408 26.994 -2.977 1.00 1.00 H new ATOM 0 HD23 LEU A 67 16.817 26.239 -2.715 1.00 1.00 H new ATOM 1037 N ASP A 68 17.160 30.456 -6.069 1.00 1.00 N ATOM 1038 CA ASP A 68 16.872 31.736 -6.693 1.00 1.00 C ATOM 1039 C ASP A 68 15.539 32.263 -6.167 1.00 1.00 C ATOM 1040 O ASP A 68 14.789 31.531 -5.520 1.00 1.00 O ATOM 1041 CB ASP A 68 16.816 31.548 -8.243 1.00 1.00 C ATOM 1042 CG ASP A 68 16.864 30.067 -8.621 1.00 1.00 C ATOM 1043 OD1 ASP A 68 17.950 29.507 -8.617 1.00 1.00 O ATOM 1044 OD2 ASP A 68 15.816 29.516 -8.909 1.00 1.00 O ATOM 0 H ASP A 68 17.320 29.692 -6.725 1.00 1.00 H new ATOM 0 HA ASP A 68 17.653 32.457 -6.453 1.00 1.00 H new ATOM 0 HB2 ASP A 68 15.903 31.997 -8.634 1.00 1.00 H new ATOM 0 HB3 ASP A 68 17.652 32.072 -8.706 1.00 1.00 H new ATOM 1049 N PRO A 69 15.250 33.521 -6.403 1.00 1.00 N ATOM 1050 CA PRO A 69 13.991 34.149 -5.921 1.00 1.00 C ATOM 1051 C PRO A 69 12.776 33.258 -6.186 1.00 1.00 C ATOM 1052 O PRO A 69 11.703 33.478 -5.623 1.00 1.00 O ATOM 1053 CB PRO A 69 13.906 35.483 -6.717 1.00 1.00 C ATOM 1054 CG PRO A 69 15.115 35.530 -7.624 1.00 1.00 C ATOM 1055 CD PRO A 69 16.104 34.494 -7.099 1.00 1.00 C ATOM 0 HA PRO A 69 13.993 34.306 -4.842 1.00 1.00 H new ATOM 0 HB2 PRO A 69 12.985 35.528 -7.298 1.00 1.00 H new ATOM 0 HB3 PRO A 69 13.898 36.337 -6.040 1.00 1.00 H new ATOM 0 HG2 PRO A 69 14.834 35.308 -8.654 1.00 1.00 H new ATOM 0 HG3 PRO A 69 15.561 36.525 -7.622 1.00 1.00 H new ATOM 0 HD2 PRO A 69 16.664 34.028 -7.910 1.00 1.00 H new ATOM 0 HD3 PRO A 69 16.833 34.942 -6.424 1.00 1.00 H new ATOM 1063 N GLU A 70 12.956 32.231 -7.010 1.00 1.00 N ATOM 1064 CA GLU A 70 11.871 31.297 -7.304 1.00 1.00 C ATOM 1065 C GLU A 70 12.335 29.868 -7.042 1.00 1.00 C ATOM 1066 O GLU A 70 13.132 29.312 -7.795 1.00 1.00 O ATOM 1067 CB GLU A 70 11.446 31.457 -8.774 1.00 1.00 C ATOM 1068 CG GLU A 70 12.681 31.678 -9.654 1.00 1.00 C ATOM 1069 CD GLU A 70 12.270 31.740 -11.121 1.00 1.00 C ATOM 1070 OE1 GLU A 70 11.232 32.318 -11.402 1.00 1.00 O ATOM 1071 OE2 GLU A 70 12.997 31.208 -11.945 1.00 1.00 O ATOM 0 H GLU A 70 13.835 32.024 -7.484 1.00 1.00 H new ATOM 0 HA GLU A 70 11.019 31.512 -6.659 1.00 1.00 H new ATOM 0 HB2 GLU A 70 10.908 30.569 -9.105 1.00 1.00 H new ATOM 0 HB3 GLU A 70 10.762 32.300 -8.874 1.00 1.00 H new ATOM 0 HG2 GLU A 70 13.181 32.604 -9.368 1.00 1.00 H new ATOM 0 HG3 GLU A 70 13.396 30.869 -9.502 1.00 1.00 H new ATOM 1078 N VAL A 71 11.807 29.269 -5.972 1.00 1.00 N ATOM 1079 CA VAL A 71 12.153 27.898 -5.640 1.00 1.00 C ATOM 1080 C VAL A 71 11.089 26.976 -6.185 1.00 1.00 C ATOM 1081 O VAL A 71 10.112 26.674 -5.506 1.00 1.00 O ATOM 1082 CB VAL A 71 12.227 27.743 -4.115 1.00 1.00 C ATOM 1083 CG1 VAL A 71 10.877 28.139 -3.456 1.00 1.00 C ATOM 1084 CG2 VAL A 71 12.575 26.286 -3.779 1.00 1.00 C ATOM 0 H VAL A 71 11.147 29.711 -5.332 1.00 1.00 H new ATOM 0 HA VAL A 71 13.120 27.647 -6.077 1.00 1.00 H new ATOM 0 HB VAL A 71 12.999 28.406 -3.723 1.00 1.00 H new ATOM 0 HG11 VAL A 71 10.952 28.022 -2.375 1.00 1.00 H new ATOM 0 HG12 VAL A 71 10.647 29.178 -3.693 1.00 1.00 H new ATOM 0 HG13 VAL A 71 10.084 27.496 -3.837 1.00 1.00 H new ATOM 0 HG21 VAL A 71 12.630 26.165 -2.697 1.00 1.00 H new ATOM 0 HG22 VAL A 71 11.805 25.626 -4.179 1.00 1.00 H new ATOM 0 HG23 VAL A 71 13.538 26.030 -4.222 1.00 1.00 H new ATOM 1094 N ARG A 72 11.293 26.520 -7.420 1.00 1.00 N ATOM 1095 CA ARG A 72 10.344 25.600 -8.055 1.00 1.00 C ATOM 1096 C ARG A 72 11.043 24.348 -8.592 1.00 1.00 C ATOM 1097 O ARG A 72 12.218 24.414 -8.958 1.00 1.00 O ATOM 1098 CB ARG A 72 9.593 26.294 -9.185 1.00 1.00 C ATOM 1099 CG ARG A 72 8.644 27.333 -8.590 1.00 1.00 C ATOM 1100 CD ARG A 72 7.856 28.005 -9.710 1.00 1.00 C ATOM 1101 NE ARG A 72 6.798 28.838 -9.153 1.00 1.00 N ATOM 1102 CZ ARG A 72 7.073 30.001 -8.573 1.00 1.00 C ATOM 1103 NH1 ARG A 72 8.298 30.445 -8.554 1.00 1.00 N ATOM 1104 NH2 ARG A 72 6.116 30.699 -8.024 1.00 1.00 N ATOM 0 H ARG A 72 12.097 26.768 -7.997 1.00 1.00 H new ATOM 0 HA ARG A 72 9.633 25.292 -7.288 1.00 1.00 H new ATOM 0 HB2 ARG A 72 10.297 26.773 -9.865 1.00 1.00 H new ATOM 0 HB3 ARG A 72 9.033 25.563 -9.769 1.00 1.00 H new ATOM 0 HG2 ARG A 72 7.961 26.856 -7.886 1.00 1.00 H new ATOM 0 HG3 ARG A 72 9.209 28.079 -8.031 1.00 1.00 H new ATOM 0 HD2 ARG A 72 8.524 28.613 -10.320 1.00 1.00 H new ATOM 0 HD3 ARG A 72 7.425 27.248 -10.366 1.00 1.00 H new ATOM 0 HE ARG A 72 5.830 28.523 -9.209 1.00 1.00 H new ATOM 0 HH11 ARG A 72 9.045 29.900 -8.984 1.00 1.00 H new ATOM 0 HH12 ARG A 72 8.510 31.338 -8.109 1.00 1.00 H new ATOM 0 HH21 ARG A 72 5.157 30.351 -8.040 1.00 1.00 H new ATOM 0 HH22 ARG A 72 6.327 31.592 -7.579 1.00 1.00 H new ATOM 1118 N PRO A 73 10.349 23.228 -8.703 1.00 1.00 N ATOM 1119 CA PRO A 73 10.943 21.986 -9.267 1.00 1.00 C ATOM 1120 C PRO A 73 11.080 22.084 -10.795 1.00 1.00 C ATOM 1121 O PRO A 73 11.815 21.314 -11.411 1.00 1.00 O ATOM 1122 CB PRO A 73 9.955 20.856 -8.869 1.00 1.00 C ATOM 1123 CG PRO A 73 8.833 21.506 -8.101 1.00 1.00 C ATOM 1124 CD PRO A 73 8.940 23.018 -8.319 1.00 1.00 C ATOM 0 HA PRO A 73 11.948 21.805 -8.886 1.00 1.00 H new ATOM 0 HB2 PRO A 73 9.573 20.347 -9.754 1.00 1.00 H new ATOM 0 HB3 PRO A 73 10.455 20.103 -8.260 1.00 1.00 H new ATOM 0 HG2 PRO A 73 7.868 21.136 -8.447 1.00 1.00 H new ATOM 0 HG3 PRO A 73 8.905 21.266 -7.040 1.00 1.00 H new ATOM 0 HD2 PRO A 73 8.259 23.357 -9.100 1.00 1.00 H new ATOM 0 HD3 PRO A 73 8.687 23.570 -7.414 1.00 1.00 H new ATOM 1132 N THR A 74 10.345 23.022 -11.398 1.00 1.00 N ATOM 1133 CA THR A 74 10.367 23.184 -12.856 1.00 1.00 C ATOM 1134 C THR A 74 11.549 24.019 -13.312 1.00 1.00 C ATOM 1135 O THR A 74 12.454 23.526 -13.986 1.00 1.00 O ATOM 1136 CB THR A 74 9.062 23.823 -13.332 1.00 1.00 C ATOM 1137 OG1 THR A 74 7.965 23.125 -12.760 1.00 1.00 O ATOM 1138 CG2 THR A 74 8.977 23.746 -14.857 1.00 1.00 C ATOM 0 H THR A 74 9.734 23.674 -10.907 1.00 1.00 H new ATOM 0 HA THR A 74 10.470 22.193 -13.297 1.00 1.00 H new ATOM 0 HB THR A 74 9.034 24.868 -13.024 1.00 1.00 H new ATOM 0 HG1 THR A 74 7.126 23.532 -13.061 1.00 1.00 H new ATOM 0 HG21 THR A 74 8.046 24.202 -15.193 1.00 1.00 H new ATOM 0 HG22 THR A 74 9.821 24.278 -15.296 1.00 1.00 H new ATOM 0 HG23 THR A 74 9.004 22.702 -15.171 1.00 1.00 H new ATOM 1146 N SER A 75 11.515 25.291 -12.963 1.00 1.00 N ATOM 1147 CA SER A 75 12.570 26.203 -13.362 1.00 1.00 C ATOM 1148 C SER A 75 13.913 25.689 -12.871 1.00 1.00 C ATOM 1149 O SER A 75 14.921 25.800 -13.568 1.00 1.00 O ATOM 1150 CB SER A 75 12.306 27.588 -12.767 1.00 1.00 C ATOM 1151 OG SER A 75 11.043 28.063 -13.213 1.00 1.00 O ATOM 0 H SER A 75 10.772 25.715 -12.407 1.00 1.00 H new ATOM 0 HA SER A 75 12.588 26.271 -14.450 1.00 1.00 H new ATOM 0 HB2 SER A 75 12.323 27.537 -11.678 1.00 1.00 H new ATOM 0 HB3 SER A 75 13.093 28.280 -13.066 1.00 1.00 H new ATOM 0 HG SER A 75 10.873 28.949 -12.831 1.00 1.00 H new ATOM 1157 N ALA A 76 13.928 25.124 -11.670 1.00 1.00 N ATOM 1158 CA ALA A 76 15.166 24.596 -11.106 1.00 1.00 C ATOM 1159 C ALA A 76 15.790 23.563 -12.038 1.00 1.00 C ATOM 1160 O ALA A 76 16.906 23.743 -12.524 1.00 1.00 O ATOM 1161 CB ALA A 76 14.886 23.958 -9.747 1.00 1.00 C ATOM 0 H ALA A 76 13.108 25.020 -11.073 1.00 1.00 H new ATOM 0 HA ALA A 76 15.867 25.422 -10.985 1.00 1.00 H new ATOM 0 HB1 ALA A 76 15.814 23.566 -9.331 1.00 1.00 H new ATOM 0 HB2 ALA A 76 14.474 24.707 -9.071 1.00 1.00 H new ATOM 0 HB3 ALA A 76 14.170 23.145 -9.867 1.00 1.00 H new ATOM 1167 N VAL A 77 15.075 22.464 -12.258 1.00 1.00 N ATOM 1168 CA VAL A 77 15.588 21.398 -13.110 1.00 1.00 C ATOM 1169 C VAL A 77 15.847 21.933 -14.512 1.00 1.00 C ATOM 1170 O VAL A 77 16.906 21.690 -15.090 1.00 1.00 O ATOM 1171 CB VAL A 77 14.577 20.249 -13.179 1.00 1.00 C ATOM 1172 CG1 VAL A 77 15.045 19.201 -14.194 1.00 1.00 C ATOM 1173 CG2 VAL A 77 14.442 19.598 -11.800 1.00 1.00 C ATOM 0 H VAL A 77 14.151 22.290 -11.864 1.00 1.00 H new ATOM 0 HA VAL A 77 16.522 21.029 -12.687 1.00 1.00 H new ATOM 0 HB VAL A 77 13.611 20.645 -13.491 1.00 1.00 H new ATOM 0 HG11 VAL A 77 14.321 18.387 -14.237 1.00 1.00 H new ATOM 0 HG12 VAL A 77 15.133 19.661 -15.178 1.00 1.00 H new ATOM 0 HG13 VAL A 77 16.015 18.808 -13.890 1.00 1.00 H new ATOM 0 HG21 VAL A 77 13.722 18.781 -11.852 1.00 1.00 H new ATOM 0 HG22 VAL A 77 15.410 19.209 -11.485 1.00 1.00 H new ATOM 0 HG23 VAL A 77 14.097 20.340 -11.080 1.00 1.00 H new ATOM 1183 N ALA A 78 14.886 22.670 -15.054 1.00 1.00 N ATOM 1184 CA ALA A 78 15.044 23.235 -16.386 1.00 1.00 C ATOM 1185 C ALA A 78 16.224 24.204 -16.417 1.00 1.00 C ATOM 1186 O ALA A 78 17.012 24.206 -17.363 1.00 1.00 O ATOM 1187 CB ALA A 78 13.766 23.973 -16.783 1.00 1.00 C ATOM 0 H ALA A 78 14.000 22.888 -14.598 1.00 1.00 H new ATOM 0 HA ALA A 78 15.235 22.426 -17.091 1.00 1.00 H new ATOM 0 HB1 ALA A 78 13.885 24.396 -17.781 1.00 1.00 H new ATOM 0 HB2 ALA A 78 12.928 23.276 -16.782 1.00 1.00 H new ATOM 0 HB3 ALA A 78 13.572 24.774 -16.070 1.00 1.00 H new ATOM 1193 N ALA A 79 16.338 25.023 -15.376 1.00 1.00 N ATOM 1194 CA ALA A 79 17.426 25.995 -15.295 1.00 1.00 C ATOM 1195 C ALA A 79 17.336 26.792 -13.997 1.00 1.00 C ATOM 1196 O ALA A 79 16.585 27.753 -13.965 1.00 1.00 O ATOM 1197 CB ALA A 79 17.364 26.948 -16.494 1.00 1.00 C ATOM 1198 OXT ALA A 79 18.021 26.429 -13.054 1.00 1.00 O ATOM 0 H ALA A 79 15.697 25.035 -14.583 1.00 1.00 H new ATOM 0 HA ALA A 79 18.374 25.457 -15.310 1.00 1.00 H new ATOM 0 HB1 ALA A 79 18.178 27.670 -16.427 1.00 1.00 H new ATOM 0 HB2 ALA A 79 17.460 26.377 -17.418 1.00 1.00 H new ATOM 0 HB3 ALA A 79 16.410 27.475 -16.491 1.00 1.00 H new