USER MOD reduce.3.24.130724 H: found=0, std=0, add=472, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 474 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 THR OG1 : rot 140:sc= -2.14! USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -162:sc= 0 (180deg=-0.297) USER MOD Single : A 31 LYS NZ :NH3+ 157:sc= -0.0492 (180deg=-0.738) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -127:sc= -0.0229 (180deg=-2.99!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 147:sc= 1.14 (180deg=-0.326) USER MOD Single : A 48 MET CE :methyl 146:sc= -0.121 (180deg=-0.963) USER MOD Single : A 52 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.3!) USER MOD Single : A 55 SER OG : rot 180:sc= -0.185 USER MOD Single : A 60 MET CE :methyl 136:sc= -1.63 (180deg=-5.16!) USER MOD Single : A 62 MET CE :methyl -159:sc= -0.228 (180deg=-1.17) USER MOD Single : A 66 THR OG1 : rot 94:sc= 0.675 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 MET CE :methyl -150:sc= 0 (180deg=-0.0113) USER MOD ----------------------------------------------------------------- ATOM 109 N THR A 7 -6.175 8.658 -5.978 1.00 0.00 N ATOM 110 CA THR A 7 -5.563 7.381 -5.519 1.00 0.00 C ATOM 111 C THR A 7 -6.276 6.893 -4.255 1.00 0.00 C ATOM 112 O THR A 7 -6.739 7.689 -3.461 1.00 0.00 O ATOM 113 CB THR A 7 -4.083 7.616 -5.201 1.00 0.00 C ATOM 114 OG1 THR A 7 -3.511 6.420 -4.693 1.00 0.00 O ATOM 115 CG2 THR A 7 -3.958 8.723 -4.152 1.00 0.00 C ATOM 0 HA THR A 7 -5.660 6.631 -6.304 1.00 0.00 H new ATOM 0 HB THR A 7 -3.559 7.912 -6.110 1.00 0.00 H new ATOM 0 HG1 THR A 7 -2.611 6.305 -5.063 1.00 0.00 H new ATOM 0 HG21 THR A 7 -2.905 8.892 -3.925 1.00 0.00 H new ATOM 0 HG22 THR A 7 -4.397 9.642 -4.539 1.00 0.00 H new ATOM 0 HG23 THR A 7 -4.482 8.425 -3.244 1.00 0.00 H new ATOM 123 N PRO A 8 -6.329 5.596 -4.099 1.00 0.00 N ATOM 124 CA PRO A 8 -6.962 4.961 -2.929 1.00 0.00 C ATOM 125 C PRO A 8 -6.036 5.087 -1.715 1.00 0.00 C ATOM 126 O PRO A 8 -4.941 5.593 -1.834 1.00 0.00 O ATOM 127 CB PRO A 8 -7.124 3.498 -3.362 1.00 0.00 C ATOM 128 CG PRO A 8 -6.100 3.259 -4.494 1.00 0.00 C ATOM 129 CD PRO A 8 -5.759 4.643 -5.075 1.00 0.00 C ATOM 0 HA PRO A 8 -7.911 5.411 -2.639 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -6.942 2.823 -2.525 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.139 3.307 -3.710 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.205 2.768 -4.111 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.516 2.608 -5.262 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -4.682 4.777 -5.180 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.195 4.778 -6.065 1.00 0.00 H new ATOM 137 N PRO A 9 -6.499 4.626 -0.583 1.00 0.00 N ATOM 138 CA PRO A 9 -5.712 4.680 0.659 1.00 0.00 C ATOM 139 C PRO A 9 -4.563 3.669 0.607 1.00 0.00 C ATOM 140 O PRO A 9 -4.414 2.933 -0.347 1.00 0.00 O ATOM 141 CB PRO A 9 -6.731 4.344 1.752 1.00 0.00 C ATOM 142 CG PRO A 9 -7.888 3.596 1.050 1.00 0.00 C ATOM 143 CD PRO A 9 -7.831 4.002 -0.435 1.00 0.00 C ATOM 0 HA PRO A 9 -5.238 5.646 0.832 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.280 3.724 2.527 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.092 5.250 2.239 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -7.778 2.517 1.162 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -8.848 3.866 1.490 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -7.942 3.138 -1.090 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -8.629 4.699 -0.689 1.00 0.00 H new ATOM 151 N ALA A 10 -3.735 3.644 1.616 1.00 0.00 N ATOM 152 CA ALA A 10 -2.579 2.703 1.615 1.00 0.00 C ATOM 153 C ALA A 10 -3.060 1.266 1.395 1.00 0.00 C ATOM 154 O ALA A 10 -3.005 0.745 0.301 1.00 0.00 O ATOM 155 CB ALA A 10 -1.851 2.793 2.957 1.00 0.00 C ATOM 0 H ALA A 10 -3.810 4.236 2.443 1.00 0.00 H new ATOM 0 HA ALA A 10 -1.903 2.977 0.805 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -1.005 2.106 2.959 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -1.492 3.811 3.109 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -2.537 2.527 3.761 1.00 0.00 H new ATOM 161 N ALA A 11 -3.510 0.621 2.437 1.00 0.00 N ATOM 162 CA ALA A 11 -3.975 -0.792 2.305 1.00 0.00 C ATOM 163 C ALA A 11 -4.768 -0.975 1.009 1.00 0.00 C ATOM 164 O ALA A 11 -4.335 -1.660 0.103 1.00 0.00 O ATOM 165 CB ALA A 11 -4.863 -1.148 3.499 1.00 0.00 C ATOM 0 H ALA A 11 -3.576 1.012 3.377 1.00 0.00 H new ATOM 0 HA ALA A 11 -3.105 -1.448 2.281 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -5.204 -2.179 3.405 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -4.294 -1.037 4.422 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -5.725 -0.482 3.522 1.00 0.00 H new ATOM 171 N VAL A 12 -5.927 -0.379 0.914 1.00 0.00 N ATOM 172 CA VAL A 12 -6.748 -0.531 -0.324 1.00 0.00 C ATOM 173 C VAL A 12 -5.846 -0.446 -1.556 1.00 0.00 C ATOM 174 O VAL A 12 -5.810 -1.348 -2.370 1.00 0.00 O ATOM 175 CB VAL A 12 -7.795 0.581 -0.383 1.00 0.00 C ATOM 176 CG1 VAL A 12 -8.577 0.479 -1.692 1.00 0.00 C ATOM 177 CG2 VAL A 12 -8.757 0.435 0.800 1.00 0.00 C ATOM 0 H VAL A 12 -6.341 0.206 1.640 1.00 0.00 H new ATOM 0 HA VAL A 12 -7.246 -1.500 -0.307 1.00 0.00 H new ATOM 0 HB VAL A 12 -7.299 1.551 -0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.323 1.272 -1.733 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -7.892 0.581 -2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -9.074 -0.490 -1.744 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.505 1.227 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.252 -0.535 0.749 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.199 0.509 1.734 1.00 0.00 H new ATOM 187 N LEU A 13 -5.115 0.626 -1.697 1.00 0.00 N ATOM 188 CA LEU A 13 -4.213 0.756 -2.874 1.00 0.00 C ATOM 189 C LEU A 13 -3.479 -0.561 -3.077 1.00 0.00 C ATOM 190 O LEU A 13 -3.232 -0.987 -4.188 1.00 0.00 O ATOM 191 CB LEU A 13 -3.203 1.876 -2.621 1.00 0.00 C ATOM 192 CG LEU A 13 -2.008 1.725 -3.564 1.00 0.00 C ATOM 193 CD1 LEU A 13 -2.486 1.805 -5.015 1.00 0.00 C ATOM 194 CD2 LEU A 13 -1.007 2.848 -3.291 1.00 0.00 C ATOM 0 H LEU A 13 -5.104 1.414 -1.050 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.794 0.995 -3.765 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.677 2.846 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.866 1.846 -1.585 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.530 0.760 -3.397 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.633 1.697 -5.685 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.202 1.006 -5.207 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -2.964 2.769 -5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -0.153 2.745 -3.961 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -1.487 3.812 -3.460 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.667 2.789 -2.257 1.00 0.00 H new ATOM 206 N LEU A 14 -3.144 -1.216 -2.007 1.00 0.00 N ATOM 207 CA LEU A 14 -2.442 -2.515 -2.133 1.00 0.00 C ATOM 208 C LEU A 14 -3.398 -3.499 -2.797 1.00 0.00 C ATOM 209 O LEU A 14 -3.041 -4.201 -3.723 1.00 0.00 O ATOM 210 CB LEU A 14 -2.044 -3.020 -0.748 1.00 0.00 C ATOM 211 CG LEU A 14 -1.486 -1.865 0.084 1.00 0.00 C ATOM 212 CD1 LEU A 14 -0.795 -2.419 1.330 1.00 0.00 C ATOM 213 CD2 LEU A 14 -0.472 -1.074 -0.749 1.00 0.00 C ATOM 0 H LEU A 14 -3.326 -0.908 -1.052 1.00 0.00 H new ATOM 0 HA LEU A 14 -1.538 -2.408 -2.732 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.909 -3.456 -0.248 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.297 -3.809 -0.839 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.303 -1.208 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -0.398 -1.595 1.922 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.515 -2.980 1.926 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.021 -3.077 1.031 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.075 -0.251 -0.154 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.344 -1.731 -1.049 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.962 -0.676 -1.637 1.00 0.00 H new ATOM 225 N LYS A 15 -4.632 -3.524 -2.363 1.00 0.00 N ATOM 226 CA LYS A 15 -5.619 -4.426 -3.005 1.00 0.00 C ATOM 227 C LYS A 15 -5.658 -4.057 -4.483 1.00 0.00 C ATOM 228 O LYS A 15 -5.874 -4.879 -5.344 1.00 0.00 O ATOM 229 CB LYS A 15 -7.000 -4.213 -2.382 1.00 0.00 C ATOM 230 CG LYS A 15 -6.910 -4.362 -0.860 1.00 0.00 C ATOM 231 CD LYS A 15 -6.578 -5.813 -0.505 1.00 0.00 C ATOM 232 CE LYS A 15 -7.863 -6.643 -0.501 1.00 0.00 C ATOM 233 NZ LYS A 15 -7.556 -8.038 -0.924 1.00 0.00 N ATOM 0 H LYS A 15 -4.993 -2.959 -1.594 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.341 -5.471 -2.868 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -7.376 -3.223 -2.638 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -7.707 -4.937 -2.786 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.144 -3.696 -0.464 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.854 -4.071 -0.400 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.870 -6.222 -1.226 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.099 -5.859 0.473 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.305 -6.643 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.596 -6.200 -1.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -8.430 -8.602 -0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -7.153 -8.029 -1.883 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.871 -8.458 -0.264 1.00 0.00 H new ATOM 247 N LYS A 16 -5.427 -2.810 -4.782 1.00 0.00 N ATOM 248 CA LYS A 16 -5.417 -2.386 -6.202 1.00 0.00 C ATOM 249 C LYS A 16 -4.120 -2.866 -6.837 1.00 0.00 C ATOM 250 O LYS A 16 -4.108 -3.498 -7.874 1.00 0.00 O ATOM 251 CB LYS A 16 -5.500 -0.860 -6.287 1.00 0.00 C ATOM 252 CG LYS A 16 -6.678 -0.458 -7.177 1.00 0.00 C ATOM 253 CD LYS A 16 -7.310 0.825 -6.635 1.00 0.00 C ATOM 254 CE LYS A 16 -8.784 0.881 -7.039 1.00 0.00 C ATOM 255 NZ LYS A 16 -8.902 0.747 -8.518 1.00 0.00 N ATOM 0 H LYS A 16 -5.245 -2.070 -4.104 1.00 0.00 H new ATOM 0 HA LYS A 16 -6.272 -2.813 -6.726 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.623 -0.437 -5.290 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.572 -0.457 -6.692 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -6.338 -0.304 -8.201 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.418 -1.258 -7.203 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -7.219 0.857 -5.549 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -6.782 1.695 -7.025 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.337 0.082 -6.546 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.226 1.823 -6.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.838 1.083 -8.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -8.163 1.316 -8.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.788 -0.251 -8.786 1.00 0.00 H new ATOM 269 N ALA A 17 -3.029 -2.565 -6.206 1.00 0.00 N ATOM 270 CA ALA A 17 -1.706 -2.989 -6.741 1.00 0.00 C ATOM 271 C ALA A 17 -1.612 -4.518 -6.763 1.00 0.00 C ATOM 272 O ALA A 17 -1.705 -5.140 -7.802 1.00 0.00 O ATOM 273 CB ALA A 17 -0.594 -2.427 -5.853 1.00 0.00 C ATOM 0 H ALA A 17 -2.992 -2.038 -5.333 1.00 0.00 H new ATOM 0 HA ALA A 17 -1.596 -2.609 -7.757 1.00 0.00 H new ATOM 0 HB1 ALA A 17 0.375 -2.737 -6.244 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -0.651 -1.339 -5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -0.713 -2.805 -4.838 1.00 0.00 H new ATOM 279 N ALA A 18 -1.412 -5.128 -5.623 1.00 0.00 N ATOM 280 CA ALA A 18 -1.292 -6.611 -5.579 1.00 0.00 C ATOM 281 C ALA A 18 -2.676 -7.257 -5.663 1.00 0.00 C ATOM 282 O ALA A 18 -2.835 -8.322 -6.224 1.00 0.00 O ATOM 283 CB ALA A 18 -0.622 -7.022 -4.266 1.00 0.00 C ATOM 0 H ALA A 18 -1.327 -4.660 -4.721 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.693 -6.945 -6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.531 -8.108 -4.228 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.369 -6.573 -4.207 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -1.226 -6.679 -3.426 1.00 0.00 H new ATOM 289 N GLY A 19 -3.675 -6.627 -5.101 1.00 0.00 N ATOM 290 CA GLY A 19 -5.044 -7.216 -5.140 1.00 0.00 C ATOM 291 C GLY A 19 -4.965 -8.720 -4.884 1.00 0.00 C ATOM 292 O GLY A 19 -5.797 -9.482 -5.334 1.00 0.00 O ATOM 0 H GLY A 19 -3.601 -5.732 -4.618 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -5.676 -6.742 -4.389 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -5.505 -7.026 -6.109 1.00 0.00 H new ATOM 447 N LYS A 31 -0.031 -12.074 6.885 1.00 0.00 N ATOM 448 CA LYS A 31 1.155 -11.780 6.028 1.00 0.00 C ATOM 449 C LYS A 31 1.249 -12.824 4.913 1.00 0.00 C ATOM 450 O LYS A 31 1.943 -13.813 5.036 1.00 0.00 O ATOM 451 CB LYS A 31 2.422 -11.832 6.884 1.00 0.00 C ATOM 452 CG LYS A 31 2.120 -11.279 8.279 1.00 0.00 C ATOM 453 CD LYS A 31 3.303 -10.436 8.761 1.00 0.00 C ATOM 454 CE LYS A 31 2.924 -9.721 10.061 1.00 0.00 C ATOM 455 NZ LYS A 31 2.212 -10.668 10.963 1.00 0.00 N ATOM 0 HA LYS A 31 1.052 -10.788 5.588 1.00 0.00 H new ATOM 0 HB2 LYS A 31 2.781 -12.858 6.958 1.00 0.00 H new ATOM 0 HB3 LYS A 31 3.215 -11.250 6.414 1.00 0.00 H new ATOM 0 HG2 LYS A 31 1.214 -10.673 8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 31 1.936 -12.098 8.974 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.174 -11.071 8.923 1.00 0.00 H new ATOM 0 HD3 LYS A 31 3.578 -9.707 7.999 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.819 -9.339 10.552 1.00 0.00 H new ATOM 0 HE3 LYS A 31 2.288 -8.863 9.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 2.297 -10.341 11.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 1.207 -10.711 10.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 2.634 -11.615 10.875 1.00 0.00 H new ATOM 469 N VAL A 32 0.551 -12.619 3.827 1.00 0.00 N ATOM 470 CA VAL A 32 0.603 -13.614 2.717 1.00 0.00 C ATOM 471 C VAL A 32 0.990 -12.936 1.405 1.00 0.00 C ATOM 472 O VAL A 32 1.487 -13.564 0.490 1.00 0.00 O ATOM 473 CB VAL A 32 -0.767 -14.272 2.560 1.00 0.00 C ATOM 474 CG1 VAL A 32 -0.904 -15.411 3.567 1.00 0.00 C ATOM 475 CG2 VAL A 32 -1.859 -13.229 2.812 1.00 0.00 C ATOM 0 H VAL A 32 -0.049 -11.811 3.661 1.00 0.00 H new ATOM 0 HA VAL A 32 1.353 -14.367 2.958 1.00 0.00 H new ATOM 0 HB VAL A 32 -0.869 -14.670 1.551 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.881 -15.880 3.455 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.124 -16.151 3.388 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.805 -15.016 4.578 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -2.839 -13.694 2.701 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.758 -12.833 3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -1.759 -12.417 2.092 1.00 0.00 H new ATOM 485 N ALA A 33 0.761 -11.666 1.306 1.00 0.00 N ATOM 486 CA ALA A 33 1.107 -10.942 0.051 1.00 0.00 C ATOM 487 C ALA A 33 2.481 -10.289 0.203 1.00 0.00 C ATOM 488 O ALA A 33 2.614 -9.229 0.781 1.00 0.00 O ATOM 489 CB ALA A 33 0.056 -9.866 -0.222 1.00 0.00 C ATOM 0 H ALA A 33 0.348 -11.090 2.040 1.00 0.00 H new ATOM 0 HA ALA A 33 1.130 -11.645 -0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 33 0.308 -9.336 -1.140 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -0.923 -10.333 -0.330 1.00 0.00 H new ATOM 0 HB3 ALA A 33 0.032 -9.161 0.609 1.00 0.00 H new ATOM 495 N THR A 34 3.507 -10.913 -0.303 1.00 0.00 N ATOM 496 CA THR A 34 4.869 -10.325 -0.171 1.00 0.00 C ATOM 497 C THR A 34 5.316 -9.720 -1.504 1.00 0.00 C ATOM 498 O THR A 34 5.245 -10.347 -2.542 1.00 0.00 O ATOM 499 CB THR A 34 5.855 -11.419 0.242 1.00 0.00 C ATOM 500 OG1 THR A 34 5.184 -12.382 1.044 1.00 0.00 O ATOM 501 CG2 THR A 34 7.006 -10.798 1.037 1.00 0.00 C ATOM 0 H THR A 34 3.462 -11.802 -0.801 1.00 0.00 H new ATOM 0 HA THR A 34 4.845 -9.541 0.586 1.00 0.00 H new ATOM 0 HB THR A 34 6.254 -11.905 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 34 5.814 -13.084 1.308 1.00 0.00 H new ATOM 0 HG21 THR A 34 7.708 -11.578 1.331 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.520 -10.062 0.419 1.00 0.00 H new ATOM 0 HG23 THR A 34 6.611 -10.311 1.929 1.00 0.00 H new ATOM 509 N ILE A 35 5.797 -8.508 -1.474 1.00 0.00 N ATOM 510 CA ILE A 35 6.278 -7.854 -2.723 1.00 0.00 C ATOM 511 C ILE A 35 7.550 -7.078 -2.397 1.00 0.00 C ATOM 512 O ILE A 35 7.784 -6.704 -1.269 1.00 0.00 O ATOM 513 CB ILE A 35 5.216 -6.889 -3.258 1.00 0.00 C ATOM 514 CG1 ILE A 35 4.527 -6.181 -2.084 1.00 0.00 C ATOM 515 CG2 ILE A 35 4.177 -7.672 -4.066 1.00 0.00 C ATOM 516 CD1 ILE A 35 3.227 -5.527 -2.562 1.00 0.00 C ATOM 0 H ILE A 35 5.878 -7.939 -0.632 1.00 0.00 H new ATOM 0 HA ILE A 35 6.475 -8.610 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 35 5.690 -6.146 -3.899 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.314 -6.897 -1.290 1.00 0.00 H new ATOM 0 HG13 ILE A 35 5.191 -5.426 -1.663 1.00 0.00 H new ATOM 0 HG21 ILE A 35 3.420 -6.986 -4.447 1.00 0.00 H new ATOM 0 HG22 ILE A 35 4.667 -8.172 -4.901 1.00 0.00 H new ATOM 0 HG23 ILE A 35 3.703 -8.416 -3.425 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.742 -5.026 -1.724 1.00 0.00 H new ATOM 0 HD12 ILE A 35 3.451 -4.798 -3.340 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.561 -6.291 -2.962 1.00 0.00 H new ATOM 528 N LYS A 36 8.385 -6.834 -3.361 1.00 0.00 N ATOM 529 CA LYS A 36 9.631 -6.087 -3.059 1.00 0.00 C ATOM 530 C LYS A 36 9.333 -4.587 -3.057 1.00 0.00 C ATOM 531 O LYS A 36 8.193 -4.171 -3.108 1.00 0.00 O ATOM 532 CB LYS A 36 10.691 -6.405 -4.115 1.00 0.00 C ATOM 533 CG LYS A 36 11.897 -7.067 -3.443 1.00 0.00 C ATOM 534 CD LYS A 36 11.561 -8.522 -3.104 1.00 0.00 C ATOM 535 CE LYS A 36 12.832 -9.245 -2.649 1.00 0.00 C ATOM 536 NZ LYS A 36 12.463 -10.398 -1.779 1.00 0.00 N ATOM 0 H LYS A 36 8.262 -7.115 -4.334 1.00 0.00 H new ATOM 0 HA LYS A 36 10.006 -6.383 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 36 10.276 -7.067 -4.875 1.00 0.00 H new ATOM 0 HB3 LYS A 36 11.000 -5.491 -4.623 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.762 -7.028 -4.105 1.00 0.00 H new ATOM 0 HG3 LYS A 36 12.164 -6.524 -2.536 1.00 0.00 H new ATOM 0 HD2 LYS A 36 10.807 -8.559 -2.318 1.00 0.00 H new ATOM 0 HD3 LYS A 36 11.137 -9.021 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.394 -9.594 -3.515 1.00 0.00 H new ATOM 0 HE3 LYS A 36 13.479 -8.557 -2.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 12.986 -10.337 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 11.441 -10.375 -1.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.704 -11.288 -2.261 1.00 0.00 H new ATOM 550 N ARG A 37 10.348 -3.773 -2.990 1.00 0.00 N ATOM 551 CA ARG A 37 10.119 -2.302 -2.975 1.00 0.00 C ATOM 552 C ARG A 37 9.512 -1.863 -4.306 1.00 0.00 C ATOM 553 O ARG A 37 8.970 -0.786 -4.426 1.00 0.00 O ATOM 554 CB ARG A 37 11.453 -1.584 -2.761 1.00 0.00 C ATOM 555 CG ARG A 37 11.291 -0.497 -1.697 1.00 0.00 C ATOM 556 CD ARG A 37 12.467 0.477 -1.784 1.00 0.00 C ATOM 557 NE ARG A 37 12.822 0.954 -0.418 1.00 0.00 N ATOM 558 CZ ARG A 37 14.070 1.181 -0.110 1.00 0.00 C ATOM 559 NH1 ARG A 37 14.950 0.221 -0.202 1.00 0.00 N ATOM 560 NH2 ARG A 37 14.437 2.369 0.287 1.00 0.00 N ATOM 0 H ARG A 37 11.325 -4.062 -2.945 1.00 0.00 H new ATOM 0 HA ARG A 37 9.434 -2.050 -2.166 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.216 -2.299 -2.451 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.793 -1.142 -3.697 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.352 0.036 -1.845 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.249 -0.947 -0.705 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.325 -0.013 -2.244 1.00 0.00 H new ATOM 0 HD3 ARG A 37 12.205 1.323 -2.419 1.00 0.00 H new ATOM 0 HE ARG A 37 12.090 1.103 0.276 1.00 0.00 H new ATOM 0 HH11 ARG A 37 14.662 -0.706 -0.515 1.00 0.00 H new ATOM 0 HH12 ARG A 37 15.925 0.398 0.039 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.749 3.119 0.356 1.00 0.00 H new ATOM 0 HH22 ARG A 37 15.412 2.548 0.528 1.00 0.00 H new ATOM 574 N ASP A 38 9.602 -2.689 -5.305 1.00 0.00 N ATOM 575 CA ASP A 38 9.040 -2.326 -6.639 1.00 0.00 C ATOM 576 C ASP A 38 7.547 -2.007 -6.519 1.00 0.00 C ATOM 577 O ASP A 38 7.042 -1.109 -7.165 1.00 0.00 O ATOM 578 CB ASP A 38 9.233 -3.495 -7.606 1.00 0.00 C ATOM 579 CG ASP A 38 9.395 -2.959 -9.028 1.00 0.00 C ATOM 580 OD1 ASP A 38 8.481 -2.304 -9.502 1.00 0.00 O ATOM 581 OD2 ASP A 38 10.432 -3.210 -9.621 1.00 0.00 O ATOM 0 H ASP A 38 10.043 -3.608 -5.259 1.00 0.00 H new ATOM 0 HA ASP A 38 9.561 -1.445 -7.014 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.112 -4.074 -7.322 1.00 0.00 H new ATOM 0 HB3 ASP A 38 8.377 -4.168 -7.555 1.00 0.00 H new ATOM 586 N LYS A 39 6.833 -2.735 -5.706 1.00 0.00 N ATOM 587 CA LYS A 39 5.372 -2.477 -5.557 1.00 0.00 C ATOM 588 C LYS A 39 5.146 -1.322 -4.594 1.00 0.00 C ATOM 589 O LYS A 39 4.473 -0.359 -4.909 1.00 0.00 O ATOM 590 CB LYS A 39 4.710 -3.715 -4.980 1.00 0.00 C ATOM 591 CG LYS A 39 4.479 -4.743 -6.087 1.00 0.00 C ATOM 592 CD LYS A 39 3.109 -4.512 -6.726 1.00 0.00 C ATOM 593 CE LYS A 39 2.656 -5.790 -7.434 1.00 0.00 C ATOM 594 NZ LYS A 39 1.916 -5.433 -8.676 1.00 0.00 N ATOM 0 H LYS A 39 7.198 -3.499 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 39 4.950 -2.232 -6.532 1.00 0.00 H new ATOM 0 HB2 LYS A 39 5.338 -4.143 -4.199 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.761 -3.448 -4.516 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.261 -4.662 -6.841 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.535 -5.752 -5.678 1.00 0.00 H new ATOM 0 HD2 LYS A 39 2.383 -4.229 -5.964 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.162 -3.688 -7.438 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.519 -6.409 -7.677 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.018 -6.378 -6.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 1.608 -6.301 -9.158 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.084 -4.859 -8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.539 -4.889 -9.307 1.00 0.00 H new ATOM 608 N VAL A 40 5.703 -1.402 -3.421 1.00 0.00 N ATOM 609 CA VAL A 40 5.514 -0.297 -2.451 1.00 0.00 C ATOM 610 C VAL A 40 6.186 0.943 -3.028 1.00 0.00 C ATOM 611 O VAL A 40 5.948 2.054 -2.597 1.00 0.00 O ATOM 612 CB VAL A 40 6.156 -0.665 -1.113 1.00 0.00 C ATOM 613 CG1 VAL A 40 5.715 0.336 -0.044 1.00 0.00 C ATOM 614 CG2 VAL A 40 5.712 -2.073 -0.703 1.00 0.00 C ATOM 0 H VAL A 40 6.277 -2.180 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 40 4.453 -0.112 -2.282 1.00 0.00 H new ATOM 0 HB VAL A 40 7.241 -0.639 -1.212 1.00 0.00 H new ATOM 0 HG11 VAL A 40 6.172 0.074 0.910 1.00 0.00 H new ATOM 0 HG12 VAL A 40 6.028 1.339 -0.334 1.00 0.00 H new ATOM 0 HG13 VAL A 40 4.630 0.309 0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 40 6.170 -2.336 0.251 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.627 -2.098 -0.604 1.00 0.00 H new ATOM 0 HG23 VAL A 40 6.023 -2.789 -1.464 1.00 0.00 H new ATOM 624 N ARG A 41 7.008 0.758 -4.028 1.00 0.00 N ATOM 625 CA ARG A 41 7.671 1.934 -4.662 1.00 0.00 C ATOM 626 C ARG A 41 6.641 2.662 -5.522 1.00 0.00 C ATOM 627 O ARG A 41 6.334 3.816 -5.305 1.00 0.00 O ATOM 628 CB ARG A 41 8.837 1.483 -5.547 1.00 0.00 C ATOM 629 CG ARG A 41 9.311 2.665 -6.396 1.00 0.00 C ATOM 630 CD ARG A 41 10.603 2.295 -7.125 1.00 0.00 C ATOM 631 NE ARG A 41 11.092 3.476 -7.893 1.00 0.00 N ATOM 632 CZ ARG A 41 12.141 3.369 -8.662 1.00 0.00 C ATOM 633 NH1 ARG A 41 13.239 2.840 -8.198 1.00 0.00 N ATOM 634 NH2 ARG A 41 12.091 3.794 -9.896 1.00 0.00 N ATOM 0 H ARG A 41 7.247 -0.149 -4.430 1.00 0.00 H new ATOM 0 HA ARG A 41 8.060 2.592 -3.885 1.00 0.00 H new ATOM 0 HB2 ARG A 41 9.655 1.112 -4.930 1.00 0.00 H new ATOM 0 HB3 ARG A 41 8.524 0.660 -6.190 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.541 2.938 -7.118 1.00 0.00 H new ATOM 0 HG3 ARG A 41 9.477 3.536 -5.762 1.00 0.00 H new ATOM 0 HD2 ARG A 41 11.359 1.974 -6.408 1.00 0.00 H new ATOM 0 HD3 ARG A 41 10.426 1.457 -7.799 1.00 0.00 H new ATOM 0 HE ARG A 41 10.606 4.369 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 41 13.278 2.510 -7.234 1.00 0.00 H new ATOM 0 HH12 ARG A 41 14.059 2.757 -8.799 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.233 4.209 -10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 41 12.910 3.711 -10.498 1.00 0.00 H new ATOM 648 N GLU A 42 6.098 1.979 -6.493 1.00 0.00 N ATOM 649 CA GLU A 42 5.077 2.610 -7.370 1.00 0.00 C ATOM 650 C GLU A 42 3.896 3.042 -6.509 1.00 0.00 C ATOM 651 O GLU A 42 3.358 4.121 -6.659 1.00 0.00 O ATOM 652 CB GLU A 42 4.611 1.596 -8.416 1.00 0.00 C ATOM 653 CG GLU A 42 3.395 2.147 -9.161 1.00 0.00 C ATOM 654 CD GLU A 42 3.790 3.427 -9.901 1.00 0.00 C ATOM 655 OE1 GLU A 42 4.541 3.327 -10.858 1.00 0.00 O ATOM 656 OE2 GLU A 42 3.334 4.484 -9.498 1.00 0.00 O ATOM 0 H GLU A 42 6.320 1.009 -6.715 1.00 0.00 H new ATOM 0 HA GLU A 42 5.500 3.477 -7.878 1.00 0.00 H new ATOM 0 HB2 GLU A 42 5.417 1.388 -9.120 1.00 0.00 H new ATOM 0 HB3 GLU A 42 4.357 0.652 -7.934 1.00 0.00 H new ATOM 0 HG2 GLU A 42 3.021 1.406 -9.867 1.00 0.00 H new ATOM 0 HG3 GLU A 42 2.587 2.354 -8.459 1.00 0.00 H new ATOM 663 N ILE A 43 3.497 2.200 -5.602 1.00 0.00 N ATOM 664 CA ILE A 43 2.359 2.539 -4.708 1.00 0.00 C ATOM 665 C ILE A 43 2.653 3.868 -4.007 1.00 0.00 C ATOM 666 O ILE A 43 1.882 4.804 -4.084 1.00 0.00 O ATOM 667 CB ILE A 43 2.191 1.401 -3.687 1.00 0.00 C ATOM 668 CG1 ILE A 43 1.220 0.355 -4.251 1.00 0.00 C ATOM 669 CG2 ILE A 43 1.643 1.929 -2.353 1.00 0.00 C ATOM 670 CD1 ILE A 43 1.564 0.066 -5.716 1.00 0.00 C ATOM 0 H ILE A 43 3.914 1.283 -5.440 1.00 0.00 H new ATOM 0 HA ILE A 43 1.434 2.648 -5.275 1.00 0.00 H new ATOM 0 HB ILE A 43 3.169 0.954 -3.506 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.279 -0.563 -3.666 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.195 0.717 -4.173 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.535 1.102 -1.651 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.333 2.666 -1.942 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.671 2.395 -2.518 1.00 0.00 H new ATOM 0 HD11 ILE A 43 0.872 -0.677 -6.112 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.482 0.985 -6.297 1.00 0.00 H new ATOM 0 HD13 ILE A 43 2.583 -0.315 -5.782 1.00 0.00 H new ATOM 682 N ALA A 44 3.761 3.961 -3.327 1.00 0.00 N ATOM 683 CA ALA A 44 4.093 5.233 -2.630 1.00 0.00 C ATOM 684 C ALA A 44 4.229 6.343 -3.669 1.00 0.00 C ATOM 685 O ALA A 44 3.708 7.429 -3.508 1.00 0.00 O ATOM 686 CB ALA A 44 5.411 5.074 -1.871 1.00 0.00 C ATOM 0 H ALA A 44 4.448 3.214 -3.224 1.00 0.00 H new ATOM 0 HA ALA A 44 3.303 5.484 -1.922 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.652 6.007 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.314 4.274 -1.137 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.208 4.828 -2.573 1.00 0.00 H new ATOM 692 N GLU A 45 4.919 6.074 -4.743 1.00 0.00 N ATOM 693 CA GLU A 45 5.084 7.107 -5.799 1.00 0.00 C ATOM 694 C GLU A 45 3.709 7.509 -6.331 1.00 0.00 C ATOM 695 O GLU A 45 3.443 8.667 -6.586 1.00 0.00 O ATOM 696 CB GLU A 45 5.934 6.544 -6.940 1.00 0.00 C ATOM 697 CG GLU A 45 7.300 7.234 -6.949 1.00 0.00 C ATOM 698 CD GLU A 45 8.407 6.179 -6.938 1.00 0.00 C ATOM 699 OE1 GLU A 45 8.311 5.239 -7.710 1.00 0.00 O ATOM 700 OE2 GLU A 45 9.333 6.328 -6.156 1.00 0.00 O ATOM 0 H GLU A 45 5.375 5.182 -4.933 1.00 0.00 H new ATOM 0 HA GLU A 45 5.582 7.981 -5.380 1.00 0.00 H new ATOM 0 HB2 GLU A 45 6.059 5.468 -6.817 1.00 0.00 H new ATOM 0 HB3 GLU A 45 5.430 6.700 -7.894 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.394 7.865 -7.833 1.00 0.00 H new ATOM 0 HG3 GLU A 45 7.396 7.885 -6.080 1.00 0.00 H new ATOM 707 N LEU A 46 2.832 6.561 -6.494 1.00 0.00 N ATOM 708 CA LEU A 46 1.468 6.884 -7.005 1.00 0.00 C ATOM 709 C LEU A 46 0.730 7.730 -5.967 1.00 0.00 C ATOM 710 O LEU A 46 0.366 8.860 -6.219 1.00 0.00 O ATOM 711 CB LEU A 46 0.688 5.592 -7.253 1.00 0.00 C ATOM 712 CG LEU A 46 -0.041 5.688 -8.592 1.00 0.00 C ATOM 713 CD1 LEU A 46 -0.954 6.917 -8.590 1.00 0.00 C ATOM 714 CD2 LEU A 46 0.986 5.821 -9.720 1.00 0.00 C ATOM 0 H LEU A 46 2.999 5.574 -6.296 1.00 0.00 H new ATOM 0 HA LEU A 46 1.553 7.437 -7.940 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.367 4.739 -7.257 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.028 5.426 -6.448 1.00 0.00 H new ATOM 0 HG LEU A 46 -0.640 4.790 -8.745 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.474 6.985 -9.545 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.684 6.827 -7.785 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.355 7.815 -8.438 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.469 5.890 -10.677 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.583 6.720 -9.565 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.639 4.948 -9.722 1.00 0.00 H new ATOM 726 N LYS A 47 0.508 7.188 -4.801 1.00 0.00 N ATOM 727 CA LYS A 47 -0.199 7.950 -3.732 1.00 0.00 C ATOM 728 C LYS A 47 0.778 8.916 -3.034 1.00 0.00 C ATOM 729 O LYS A 47 0.517 9.398 -1.952 1.00 0.00 O ATOM 730 CB LYS A 47 -0.771 6.960 -2.711 1.00 0.00 C ATOM 731 CG LYS A 47 -1.433 7.719 -1.559 1.00 0.00 C ATOM 732 CD LYS A 47 -2.383 6.780 -0.811 1.00 0.00 C ATOM 733 CE LYS A 47 -3.287 7.593 0.120 1.00 0.00 C ATOM 734 NZ LYS A 47 -4.559 7.920 -0.583 1.00 0.00 N ATOM 0 H LYS A 47 0.788 6.242 -4.541 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.007 8.533 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -1.499 6.308 -3.193 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.024 6.321 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -0.673 8.104 -0.878 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.982 8.579 -1.943 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -2.989 6.218 -1.522 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -1.811 6.053 -0.234 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -3.496 7.026 1.027 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -2.782 8.509 0.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.339 7.944 0.104 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.473 8.850 -1.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -4.754 7.195 -1.303 1.00 0.00 H new ATOM 748 N MET A 48 1.911 9.189 -3.633 1.00 0.00 N ATOM 749 CA MET A 48 2.909 10.099 -2.989 1.00 0.00 C ATOM 750 C MET A 48 2.413 11.551 -2.981 1.00 0.00 C ATOM 751 O MET A 48 2.409 12.190 -1.946 1.00 0.00 O ATOM 752 CB MET A 48 4.226 10.026 -3.766 1.00 0.00 C ATOM 753 CG MET A 48 5.294 9.355 -2.902 1.00 0.00 C ATOM 754 SD MET A 48 6.734 10.443 -2.773 1.00 0.00 S ATOM 755 CE MET A 48 5.919 11.785 -1.875 1.00 0.00 C ATOM 0 H MET A 48 2.188 8.820 -4.543 1.00 0.00 H new ATOM 0 HA MET A 48 3.053 9.778 -1.957 1.00 0.00 H new ATOM 0 HB2 MET A 48 4.085 9.464 -4.689 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.549 11.028 -4.049 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.895 9.143 -1.910 1.00 0.00 H new ATOM 0 HG3 MET A 48 5.584 8.400 -3.340 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.628 12.245 -1.187 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.563 12.533 -2.583 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.074 11.386 -1.313 1.00 0.00 H new ATOM 765 N PRO A 49 2.026 12.041 -4.129 1.00 0.00 N ATOM 766 CA PRO A 49 1.544 13.426 -4.274 1.00 0.00 C ATOM 767 C PRO A 49 0.134 13.564 -3.700 1.00 0.00 C ATOM 768 O PRO A 49 -0.828 13.754 -4.418 1.00 0.00 O ATOM 769 CB PRO A 49 1.569 13.661 -5.787 1.00 0.00 C ATOM 770 CG PRO A 49 1.527 12.264 -6.448 1.00 0.00 C ATOM 771 CD PRO A 49 2.018 11.262 -5.383 1.00 0.00 C ATOM 0 HA PRO A 49 2.150 14.155 -3.736 1.00 0.00 H new ATOM 0 HB2 PRO A 49 0.717 14.264 -6.100 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.468 14.203 -6.081 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.516 12.019 -6.774 1.00 0.00 H new ATOM 0 HG3 PRO A 49 2.164 12.234 -7.332 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.355 10.400 -5.312 1.00 0.00 H new ATOM 0 HD3 PRO A 49 3.011 10.882 -5.622 1.00 0.00 H new ATOM 779 N ASP A 50 0.015 13.472 -2.400 1.00 0.00 N ATOM 780 CA ASP A 50 -1.316 13.593 -1.741 1.00 0.00 C ATOM 781 C ASP A 50 -1.255 12.929 -0.363 1.00 0.00 C ATOM 782 O ASP A 50 -2.049 13.213 0.511 1.00 0.00 O ATOM 783 CB ASP A 50 -2.381 12.898 -2.592 1.00 0.00 C ATOM 784 CG ASP A 50 -1.817 11.589 -3.145 1.00 0.00 C ATOM 785 OD1 ASP A 50 -1.480 10.728 -2.348 1.00 0.00 O ATOM 786 OD2 ASP A 50 -1.730 11.469 -4.357 1.00 0.00 O ATOM 0 H ASP A 50 0.795 13.316 -1.761 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.574 14.647 -1.634 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -3.269 12.699 -1.992 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -2.689 13.548 -3.411 1.00 0.00 H new ATOM 791 N LEU A 51 -0.314 12.045 -0.166 1.00 0.00 N ATOM 792 CA LEU A 51 -0.194 11.356 1.151 1.00 0.00 C ATOM 793 C LEU A 51 0.427 12.307 2.175 1.00 0.00 C ATOM 794 O LEU A 51 1.038 13.299 1.827 1.00 0.00 O ATOM 795 CB LEU A 51 0.702 10.126 0.999 1.00 0.00 C ATOM 796 CG LEU A 51 -0.078 8.876 1.396 1.00 0.00 C ATOM 797 CD1 LEU A 51 0.750 7.630 1.070 1.00 0.00 C ATOM 798 CD2 LEU A 51 -0.370 8.915 2.898 1.00 0.00 C ATOM 0 H LEU A 51 0.379 11.770 -0.862 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.184 11.052 1.491 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.048 10.040 -0.031 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.588 10.229 1.625 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.016 8.842 0.842 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.192 6.738 1.354 1.00 0.00 H new ATOM 0 HD12 LEU A 51 0.960 7.602 0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 51 1.689 7.662 1.623 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -0.927 8.023 3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.569 8.949 3.450 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.960 9.801 3.131 1.00 0.00 H new ATOM 810 N ASN A 52 0.281 12.007 3.437 1.00 0.00 N ATOM 811 CA ASN A 52 0.869 12.889 4.484 1.00 0.00 C ATOM 812 C ASN A 52 2.345 12.535 4.681 1.00 0.00 C ATOM 813 O ASN A 52 3.037 13.134 5.479 1.00 0.00 O ATOM 814 CB ASN A 52 0.118 12.688 5.802 1.00 0.00 C ATOM 815 CG ASN A 52 0.313 13.917 6.691 1.00 0.00 C ATOM 816 OD1 ASN A 52 0.504 15.011 6.200 1.00 0.00 O ATOM 817 ND2 ASN A 52 0.271 13.783 7.987 1.00 0.00 N ATOM 0 H ASN A 52 -0.219 11.190 3.788 1.00 0.00 H new ATOM 0 HA ASN A 52 0.783 13.929 4.171 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.943 12.530 5.608 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.485 11.796 6.310 1.00 0.00 H new ATOM 0 HD21 ASN A 52 0.399 14.597 8.588 1.00 0.00 H new ATOM 0 HD22 ASN A 52 0.111 12.864 8.400 1.00 0.00 H new ATOM 824 N ALA A 53 2.833 11.561 3.958 1.00 0.00 N ATOM 825 CA ALA A 53 4.262 11.170 4.104 1.00 0.00 C ATOM 826 C ALA A 53 5.154 12.377 3.805 1.00 0.00 C ATOM 827 O ALA A 53 4.745 13.514 3.927 1.00 0.00 O ATOM 828 CB ALA A 53 4.581 10.047 3.116 1.00 0.00 C ATOM 0 H ALA A 53 2.303 11.021 3.274 1.00 0.00 H new ATOM 0 HA ALA A 53 4.445 10.826 5.122 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.627 9.757 3.219 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.944 9.187 3.324 1.00 0.00 H new ATOM 0 HB3 ALA A 53 4.400 10.395 2.099 1.00 0.00 H new ATOM 834 N ALA A 54 6.371 12.132 3.409 1.00 0.00 N ATOM 835 CA ALA A 54 7.300 13.255 3.092 1.00 0.00 C ATOM 836 C ALA A 54 8.275 12.800 2.007 1.00 0.00 C ATOM 837 O ALA A 54 8.611 13.539 1.103 1.00 0.00 O ATOM 838 CB ALA A 54 8.077 13.648 4.351 1.00 0.00 C ATOM 0 H ALA A 54 6.765 11.199 3.290 1.00 0.00 H new ATOM 0 HA ALA A 54 6.733 14.116 2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 54 8.756 14.469 4.118 1.00 0.00 H new ATOM 0 HB2 ALA A 54 7.378 13.963 5.126 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.651 12.792 4.706 1.00 0.00 H new ATOM 844 N SER A 55 8.724 11.578 2.088 1.00 0.00 N ATOM 845 CA SER A 55 9.664 11.049 1.072 1.00 0.00 C ATOM 846 C SER A 55 9.440 9.543 0.952 1.00 0.00 C ATOM 847 O SER A 55 8.810 8.934 1.793 1.00 0.00 O ATOM 848 CB SER A 55 11.104 11.323 1.510 1.00 0.00 C ATOM 849 OG SER A 55 11.122 12.433 2.397 1.00 0.00 O ATOM 0 H SER A 55 8.474 10.919 2.825 1.00 0.00 H new ATOM 0 HA SER A 55 9.492 11.533 0.111 1.00 0.00 H new ATOM 0 HB2 SER A 55 11.520 10.444 2.001 1.00 0.00 H new ATOM 0 HB3 SER A 55 11.728 11.528 0.640 1.00 0.00 H new ATOM 0 HG SER A 55 12.043 12.610 2.681 1.00 0.00 H new ATOM 855 N ILE A 56 9.943 8.937 -0.084 1.00 0.00 N ATOM 856 CA ILE A 56 9.753 7.468 -0.254 1.00 0.00 C ATOM 857 C ILE A 56 9.959 6.770 1.092 1.00 0.00 C ATOM 858 O ILE A 56 9.107 6.039 1.559 1.00 0.00 O ATOM 859 CB ILE A 56 10.768 6.936 -1.266 1.00 0.00 C ATOM 860 CG1 ILE A 56 10.574 7.651 -2.605 1.00 0.00 C ATOM 861 CG2 ILE A 56 10.559 5.434 -1.458 1.00 0.00 C ATOM 862 CD1 ILE A 56 9.153 7.401 -3.116 1.00 0.00 C ATOM 0 H ILE A 56 10.478 9.394 -0.822 1.00 0.00 H new ATOM 0 HA ILE A 56 8.744 7.271 -0.616 1.00 0.00 H new ATOM 0 HB ILE A 56 11.777 7.118 -0.897 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.746 8.721 -2.486 1.00 0.00 H new ATOM 0 HG13 ILE A 56 11.302 7.289 -3.331 1.00 0.00 H new ATOM 0 HG21 ILE A 56 11.283 5.055 -2.180 1.00 0.00 H new ATOM 0 HG22 ILE A 56 10.695 4.923 -0.505 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.550 5.251 -1.827 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.014 7.910 -4.070 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.998 6.331 -3.250 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.433 7.784 -2.392 1.00 0.00 H new ATOM 874 N GLU A 57 11.081 6.990 1.718 1.00 0.00 N ATOM 875 CA GLU A 57 11.343 6.346 3.034 1.00 0.00 C ATOM 876 C GLU A 57 10.211 6.680 4.010 1.00 0.00 C ATOM 877 O GLU A 57 9.699 5.822 4.701 1.00 0.00 O ATOM 878 CB GLU A 57 12.668 6.863 3.598 1.00 0.00 C ATOM 879 CG GLU A 57 13.812 6.469 2.662 1.00 0.00 C ATOM 880 CD GLU A 57 14.967 7.461 2.820 1.00 0.00 C ATOM 881 OE1 GLU A 57 14.701 8.651 2.826 1.00 0.00 O ATOM 882 OE2 GLU A 57 16.095 7.013 2.934 1.00 0.00 O ATOM 0 H GLU A 57 11.830 7.590 1.373 1.00 0.00 H new ATOM 0 HA GLU A 57 11.397 5.265 2.901 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.630 7.947 3.707 1.00 0.00 H new ATOM 0 HB3 GLU A 57 12.838 6.449 4.592 1.00 0.00 H new ATOM 0 HG2 GLU A 57 14.152 5.459 2.892 1.00 0.00 H new ATOM 0 HG3 GLU A 57 13.464 6.461 1.629 1.00 0.00 H new ATOM 889 N ALA A 58 9.818 7.924 4.076 1.00 0.00 N ATOM 890 CA ALA A 58 8.725 8.316 5.014 1.00 0.00 C ATOM 891 C ALA A 58 7.401 7.696 4.561 1.00 0.00 C ATOM 892 O ALA A 58 6.734 7.015 5.315 1.00 0.00 O ATOM 893 CB ALA A 58 8.594 9.840 5.037 1.00 0.00 C ATOM 0 H ALA A 58 10.207 8.686 3.521 1.00 0.00 H new ATOM 0 HA ALA A 58 8.965 7.955 6.014 1.00 0.00 H new ATOM 0 HB1 ALA A 58 7.796 10.126 5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 58 9.534 10.281 5.370 1.00 0.00 H new ATOM 0 HB3 ALA A 58 8.359 10.200 4.035 1.00 0.00 H new ATOM 899 N ALA A 59 7.005 7.933 3.340 1.00 0.00 N ATOM 900 CA ALA A 59 5.718 7.358 2.854 1.00 0.00 C ATOM 901 C ALA A 59 5.776 5.834 2.939 1.00 0.00 C ATOM 902 O ALA A 59 4.870 5.191 3.432 1.00 0.00 O ATOM 903 CB ALA A 59 5.483 7.781 1.403 1.00 0.00 C ATOM 0 H ALA A 59 7.515 8.498 2.660 1.00 0.00 H new ATOM 0 HA ALA A 59 4.900 7.725 3.474 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.542 7.360 1.049 1.00 0.00 H new ATOM 0 HB2 ALA A 59 5.439 8.868 1.344 1.00 0.00 H new ATOM 0 HB3 ALA A 59 6.300 7.416 0.781 1.00 0.00 H new ATOM 909 N MET A 60 6.837 5.258 2.464 1.00 0.00 N ATOM 910 CA MET A 60 6.976 3.777 2.510 1.00 0.00 C ATOM 911 C MET A 60 6.923 3.313 3.966 1.00 0.00 C ATOM 912 O MET A 60 6.474 2.225 4.263 1.00 0.00 O ATOM 913 CB MET A 60 8.318 3.372 1.895 1.00 0.00 C ATOM 914 CG MET A 60 8.492 1.856 2.003 1.00 0.00 C ATOM 915 SD MET A 60 9.206 1.221 0.467 1.00 0.00 S ATOM 916 CE MET A 60 9.610 -0.433 1.077 1.00 0.00 C ATOM 0 H MET A 60 7.623 5.751 2.041 1.00 0.00 H new ATOM 0 HA MET A 60 6.165 3.314 1.947 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.359 3.680 0.850 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.134 3.880 2.409 1.00 0.00 H new ATOM 0 HG2 MET A 60 9.139 1.612 2.846 1.00 0.00 H new ATOM 0 HG3 MET A 60 7.529 1.381 2.193 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.321 -1.176 0.333 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.682 -0.501 1.261 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.070 -0.620 2.005 1.00 0.00 H new ATOM 926 N ARG A 61 7.368 4.134 4.876 1.00 0.00 N ATOM 927 CA ARG A 61 7.334 3.743 6.313 1.00 0.00 C ATOM 928 C ARG A 61 5.879 3.556 6.744 1.00 0.00 C ATOM 929 O ARG A 61 5.467 2.483 7.137 1.00 0.00 O ATOM 930 CB ARG A 61 7.973 4.845 7.158 1.00 0.00 C ATOM 931 CG ARG A 61 8.222 4.326 8.575 1.00 0.00 C ATOM 932 CD ARG A 61 9.166 5.278 9.310 1.00 0.00 C ATOM 933 NE ARG A 61 8.455 5.887 10.469 1.00 0.00 N ATOM 934 CZ ARG A 61 9.135 6.308 11.501 1.00 0.00 C ATOM 935 NH1 ARG A 61 9.813 7.421 11.426 1.00 0.00 N ATOM 936 NH2 ARG A 61 9.139 5.614 12.607 1.00 0.00 N ATOM 0 H ARG A 61 7.754 5.059 4.687 1.00 0.00 H new ATOM 0 HA ARG A 61 7.885 2.813 6.453 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.912 5.165 6.707 1.00 0.00 H new ATOM 0 HB3 ARG A 61 7.321 5.718 7.189 1.00 0.00 H new ATOM 0 HG2 ARG A 61 7.278 4.244 9.115 1.00 0.00 H new ATOM 0 HG3 ARG A 61 8.655 3.326 8.536 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.048 4.738 9.654 1.00 0.00 H new ATOM 0 HD3 ARG A 61 9.513 6.058 8.632 1.00 0.00 H new ATOM 0 HE ARG A 61 7.439 5.975 10.456 1.00 0.00 H new ATOM 0 HH11 ARG A 61 9.812 7.962 10.561 1.00 0.00 H new ATOM 0 HH12 ARG A 61 10.344 7.750 12.232 1.00 0.00 H new ATOM 0 HH21 ARG A 61 8.611 4.743 12.665 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.670 5.943 13.413 1.00 0.00 H new ATOM 950 N MET A 62 5.094 4.595 6.664 1.00 0.00 N ATOM 951 CA MET A 62 3.664 4.482 7.058 1.00 0.00 C ATOM 952 C MET A 62 2.938 3.595 6.046 1.00 0.00 C ATOM 953 O MET A 62 1.882 3.062 6.316 1.00 0.00 O ATOM 954 CB MET A 62 3.026 5.874 7.065 1.00 0.00 C ATOM 955 CG MET A 62 3.182 6.513 5.683 1.00 0.00 C ATOM 956 SD MET A 62 2.554 8.210 5.729 1.00 0.00 S ATOM 957 CE MET A 62 0.812 7.799 5.994 1.00 0.00 C ATOM 0 H MET A 62 5.383 5.519 6.342 1.00 0.00 H new ATOM 0 HA MET A 62 3.589 4.045 8.054 1.00 0.00 H new ATOM 0 HB2 MET A 62 1.970 5.801 7.327 1.00 0.00 H new ATOM 0 HB3 MET A 62 3.499 6.499 7.822 1.00 0.00 H new ATOM 0 HG2 MET A 62 4.231 6.510 5.385 1.00 0.00 H new ATOM 0 HG3 MET A 62 2.637 5.932 4.938 1.00 0.00 H new ATOM 0 HE1 MET A 62 0.189 8.640 5.690 1.00 0.00 H new ATOM 0 HE2 MET A 62 0.551 6.922 5.402 1.00 0.00 H new ATOM 0 HE3 MET A 62 0.645 7.587 7.050 1.00 0.00 H new ATOM 967 N ILE A 63 3.504 3.437 4.882 1.00 0.00 N ATOM 968 CA ILE A 63 2.858 2.586 3.844 1.00 0.00 C ATOM 969 C ILE A 63 3.158 1.112 4.143 1.00 0.00 C ATOM 970 O ILE A 63 2.269 0.283 4.190 1.00 0.00 O ATOM 971 CB ILE A 63 3.407 2.989 2.461 1.00 0.00 C ATOM 972 CG1 ILE A 63 2.558 4.131 1.898 1.00 0.00 C ATOM 973 CG2 ILE A 63 3.357 1.801 1.493 1.00 0.00 C ATOM 974 CD1 ILE A 63 1.128 3.636 1.661 1.00 0.00 C ATOM 0 H ILE A 63 4.389 3.862 4.604 1.00 0.00 H new ATOM 0 HA ILE A 63 1.777 2.727 3.850 1.00 0.00 H new ATOM 0 HB ILE A 63 4.443 3.308 2.573 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.553 4.971 2.593 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.989 4.492 0.964 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.749 2.106 0.523 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.961 0.984 1.888 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.326 1.467 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 63 0.523 4.449 1.260 1.00 0.00 H new ATOM 0 HD12 ILE A 63 1.142 2.810 0.950 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.700 3.296 2.604 1.00 0.00 H new ATOM 986 N GLU A 64 4.402 0.779 4.345 1.00 0.00 N ATOM 987 CA GLU A 64 4.760 -0.638 4.639 1.00 0.00 C ATOM 988 C GLU A 64 4.101 -1.074 5.951 1.00 0.00 C ATOM 989 O GLU A 64 3.263 -1.953 5.974 1.00 0.00 O ATOM 990 CB GLU A 64 6.280 -0.759 4.766 1.00 0.00 C ATOM 991 CG GLU A 64 6.772 -1.937 3.926 1.00 0.00 C ATOM 992 CD GLU A 64 7.764 -2.766 4.742 1.00 0.00 C ATOM 993 OE1 GLU A 64 7.334 -3.409 5.684 1.00 0.00 O ATOM 994 OE2 GLU A 64 8.940 -2.742 4.412 1.00 0.00 O ATOM 0 H GLU A 64 5.189 1.428 4.319 1.00 0.00 H new ATOM 0 HA GLU A 64 4.408 -1.278 3.830 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.757 0.163 4.433 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.558 -0.903 5.810 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.929 -2.557 3.620 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.248 -1.574 3.015 1.00 0.00 H new ATOM 1001 N GLY A 65 4.474 -0.465 7.045 1.00 0.00 N ATOM 1002 CA GLY A 65 3.873 -0.843 8.357 1.00 0.00 C ATOM 1003 C GLY A 65 2.363 -1.037 8.198 1.00 0.00 C ATOM 1004 O GLY A 65 1.744 -1.779 8.935 1.00 0.00 O ATOM 0 H GLY A 65 5.170 0.279 7.087 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.330 -1.761 8.726 1.00 0.00 H new ATOM 0 HA3 GLY A 65 4.074 -0.068 9.096 1.00 0.00 H new ATOM 1008 N THR A 66 1.765 -0.374 7.245 1.00 0.00 N ATOM 1009 CA THR A 66 0.296 -0.521 7.044 1.00 0.00 C ATOM 1010 C THR A 66 -0.004 -1.904 6.457 1.00 0.00 C ATOM 1011 O THR A 66 -0.840 -2.632 6.954 1.00 0.00 O ATOM 1012 CB THR A 66 -0.197 0.564 6.082 1.00 0.00 C ATOM 1013 OG1 THR A 66 -0.054 1.836 6.696 1.00 0.00 O ATOM 1014 CG2 THR A 66 -1.670 0.323 5.743 1.00 0.00 C ATOM 0 H THR A 66 2.230 0.262 6.598 1.00 0.00 H new ATOM 0 HA THR A 66 -0.215 -0.417 8.001 1.00 0.00 H new ATOM 0 HB THR A 66 0.392 0.531 5.166 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.802 2.233 6.431 1.00 0.00 H new ATOM 0 HG21 THR A 66 -2.017 1.097 5.058 1.00 0.00 H new ATOM 0 HG22 THR A 66 -1.780 -0.654 5.272 1.00 0.00 H new ATOM 0 HG23 THR A 66 -2.263 0.354 6.657 1.00 0.00 H new ATOM 1022 N ALA A 67 0.672 -2.270 5.403 1.00 0.00 N ATOM 1023 CA ALA A 67 0.425 -3.603 4.785 1.00 0.00 C ATOM 1024 C ALA A 67 0.613 -4.703 5.835 1.00 0.00 C ATOM 1025 O ALA A 67 -0.136 -5.657 5.890 1.00 0.00 O ATOM 1026 CB ALA A 67 1.417 -3.820 3.640 1.00 0.00 C ATOM 0 H ALA A 67 1.385 -1.704 4.943 1.00 0.00 H new ATOM 0 HA ALA A 67 -0.595 -3.641 4.402 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.240 -4.794 3.185 1.00 0.00 H new ATOM 0 HB2 ALA A 67 1.284 -3.040 2.891 1.00 0.00 H new ATOM 0 HB3 ALA A 67 2.435 -3.780 4.028 1.00 0.00 H new ATOM 1032 N ARG A 68 1.613 -4.577 6.665 1.00 0.00 N ATOM 1033 CA ARG A 68 1.857 -5.614 7.707 1.00 0.00 C ATOM 1034 C ARG A 68 0.636 -5.735 8.626 1.00 0.00 C ATOM 1035 O ARG A 68 0.323 -6.801 9.118 1.00 0.00 O ATOM 1036 CB ARG A 68 3.078 -5.216 8.539 1.00 0.00 C ATOM 1037 CG ARG A 68 3.891 -6.464 8.888 1.00 0.00 C ATOM 1038 CD ARG A 68 5.136 -6.527 7.999 1.00 0.00 C ATOM 1039 NE ARG A 68 6.325 -6.077 8.776 1.00 0.00 N ATOM 1040 CZ ARG A 68 7.524 -6.232 8.283 1.00 0.00 C ATOM 1041 NH1 ARG A 68 7.703 -6.945 7.205 1.00 0.00 N ATOM 1042 NH2 ARG A 68 8.547 -5.672 8.871 1.00 0.00 N ATOM 0 H ARG A 68 2.272 -3.799 6.666 1.00 0.00 H new ATOM 0 HA ARG A 68 2.035 -6.574 7.221 1.00 0.00 H new ATOM 0 HB2 ARG A 68 3.696 -4.511 7.982 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.760 -4.710 9.451 1.00 0.00 H new ATOM 0 HG2 ARG A 68 4.182 -6.440 9.938 1.00 0.00 H new ATOM 0 HG3 ARG A 68 3.284 -7.358 8.746 1.00 0.00 H new ATOM 0 HD2 ARG A 68 5.288 -7.545 7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 68 5.001 -5.895 7.121 1.00 0.00 H new ATOM 0 HE ARG A 68 6.202 -5.648 9.693 1.00 0.00 H new ATOM 0 HH11 ARG A 68 6.905 -7.383 6.745 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.641 -7.064 6.822 1.00 0.00 H new ATOM 0 HH21 ARG A 68 8.409 -5.115 9.714 1.00 0.00 H new ATOM 0 HH22 ARG A 68 9.484 -5.792 8.487 1.00 0.00 H new ATOM 1056 N SER A 69 -0.051 -4.653 8.865 1.00 0.00 N ATOM 1057 CA SER A 69 -1.243 -4.711 9.759 1.00 0.00 C ATOM 1058 C SER A 69 -2.427 -5.326 9.008 1.00 0.00 C ATOM 1059 O SER A 69 -3.511 -5.453 9.541 1.00 0.00 O ATOM 1060 CB SER A 69 -1.608 -3.298 10.213 1.00 0.00 C ATOM 1061 OG SER A 69 -1.581 -3.240 11.634 1.00 0.00 O ATOM 0 H SER A 69 0.160 -3.732 8.481 1.00 0.00 H new ATOM 0 HA SER A 69 -1.010 -5.326 10.628 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.906 -2.576 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.598 -3.030 9.845 1.00 0.00 H new ATOM 0 HG SER A 69 -1.813 -2.335 11.929 1.00 0.00 H new ATOM 1067 N MET A 70 -2.233 -5.709 7.776 1.00 0.00 N ATOM 1068 CA MET A 70 -3.353 -6.312 7.002 1.00 0.00 C ATOM 1069 C MET A 70 -2.955 -7.712 6.531 1.00 0.00 C ATOM 1070 O MET A 70 -3.257 -8.703 7.166 1.00 0.00 O ATOM 1071 CB MET A 70 -3.665 -5.436 5.786 1.00 0.00 C ATOM 1072 CG MET A 70 -5.005 -4.728 5.997 1.00 0.00 C ATOM 1073 SD MET A 70 -5.675 -4.214 4.396 1.00 0.00 S ATOM 1074 CE MET A 70 -6.478 -5.781 3.973 1.00 0.00 C ATOM 0 H MET A 70 -1.349 -5.630 7.273 1.00 0.00 H new ATOM 0 HA MET A 70 -4.236 -6.380 7.638 1.00 0.00 H new ATOM 0 HB2 MET A 70 -2.873 -4.702 5.641 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.703 -6.047 4.884 1.00 0.00 H new ATOM 0 HG2 MET A 70 -5.706 -5.395 6.499 1.00 0.00 H new ATOM 0 HG3 MET A 70 -4.872 -3.860 6.643 1.00 0.00 H new ATOM 0 HE1 MET A 70 -6.491 -5.903 2.890 1.00 0.00 H new ATOM 0 HE2 MET A 70 -5.927 -6.606 4.424 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.501 -5.779 4.350 1.00 0.00 H new ATOM 1084 N GLY A 71 -2.276 -7.799 5.422 1.00 0.00 N ATOM 1085 CA GLY A 71 -1.852 -9.131 4.904 1.00 0.00 C ATOM 1086 C GLY A 71 -0.921 -8.928 3.711 1.00 0.00 C ATOM 1087 O GLY A 71 -1.124 -9.481 2.647 1.00 0.00 O ATOM 0 H GLY A 71 -1.995 -7.003 4.850 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.344 -9.695 5.686 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.724 -9.714 4.606 1.00 0.00 H new ATOM 1091 N ILE A 72 0.103 -8.136 3.879 1.00 0.00 N ATOM 1092 CA ILE A 72 1.045 -7.890 2.757 1.00 0.00 C ATOM 1093 C ILE A 72 2.428 -7.571 3.324 1.00 0.00 C ATOM 1094 O ILE A 72 2.598 -6.653 4.099 1.00 0.00 O ATOM 1095 CB ILE A 72 0.552 -6.700 1.930 1.00 0.00 C ATOM 1096 CG1 ILE A 72 -0.826 -7.015 1.346 1.00 0.00 C ATOM 1097 CG2 ILE A 72 1.535 -6.422 0.791 1.00 0.00 C ATOM 1098 CD1 ILE A 72 -1.219 -5.922 0.352 1.00 0.00 C ATOM 0 H ILE A 72 0.326 -7.649 4.747 1.00 0.00 H new ATOM 0 HA ILE A 72 1.100 -8.776 2.124 1.00 0.00 H new ATOM 0 HB ILE A 72 0.482 -5.822 2.572 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.809 -7.985 0.849 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.565 -7.079 2.144 1.00 0.00 H new ATOM 0 HG21 ILE A 72 1.181 -5.574 0.204 1.00 0.00 H new ATOM 0 HG22 ILE A 72 2.517 -6.192 1.205 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.608 -7.301 0.151 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.201 -6.145 -0.065 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.252 -4.960 0.863 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.484 -5.880 -0.452 1.00 0.00 H new ATOM 1110 N VAL A 73 3.414 -8.328 2.947 1.00 0.00 N ATOM 1111 CA VAL A 73 4.789 -8.073 3.462 1.00 0.00 C ATOM 1112 C VAL A 73 5.635 -7.416 2.370 1.00 0.00 C ATOM 1113 O VAL A 73 5.252 -7.363 1.218 1.00 0.00 O ATOM 1114 CB VAL A 73 5.427 -9.398 3.874 1.00 0.00 C ATOM 1115 CG1 VAL A 73 6.763 -9.134 4.567 1.00 0.00 C ATOM 1116 CG2 VAL A 73 4.491 -10.130 4.836 1.00 0.00 C ATOM 0 H VAL A 73 3.331 -9.115 2.303 1.00 0.00 H new ATOM 0 HA VAL A 73 4.736 -7.408 4.324 1.00 0.00 H new ATOM 0 HB VAL A 73 5.597 -10.010 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 73 7.215 -10.082 4.859 1.00 0.00 H new ATOM 0 HG12 VAL A 73 7.430 -8.610 3.883 1.00 0.00 H new ATOM 0 HG13 VAL A 73 6.598 -8.522 5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 73 4.942 -11.077 5.133 1.00 0.00 H new ATOM 0 HG22 VAL A 73 4.324 -9.515 5.720 1.00 0.00 H new ATOM 0 HG23 VAL A 73 3.538 -10.321 4.342 1.00 0.00 H new ATOM 1126 N VAL A 74 6.789 -6.918 2.725 1.00 0.00 N ATOM 1127 CA VAL A 74 7.670 -6.267 1.716 1.00 0.00 C ATOM 1128 C VAL A 74 9.128 -6.550 2.070 1.00 0.00 C ATOM 1129 O VAL A 74 9.555 -6.351 3.191 1.00 0.00 O ATOM 1130 CB VAL A 74 7.427 -4.757 1.716 1.00 0.00 C ATOM 1131 CG1 VAL A 74 8.152 -4.125 0.526 1.00 0.00 C ATOM 1132 CG2 VAL A 74 5.925 -4.481 1.601 1.00 0.00 C ATOM 0 H VAL A 74 7.160 -6.935 3.675 1.00 0.00 H new ATOM 0 HA VAL A 74 7.447 -6.664 0.726 1.00 0.00 H new ATOM 0 HB VAL A 74 7.806 -4.328 2.644 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.980 -3.049 0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 74 9.221 -4.321 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.772 -4.554 -0.401 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.752 -3.405 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 74 5.546 -4.909 0.673 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.406 -4.932 2.447 1.00 0.00 H new ATOM 1142 N GLU A 75 9.895 -7.019 1.126 1.00 0.00 N ATOM 1143 CA GLU A 75 11.326 -7.319 1.413 1.00 0.00 C ATOM 1144 C GLU A 75 12.215 -6.247 0.780 1.00 0.00 C ATOM 1145 O GLU A 75 12.193 -6.034 -0.415 1.00 0.00 O ATOM 1146 CB GLU A 75 11.684 -8.691 0.838 1.00 0.00 C ATOM 1147 CG GLU A 75 11.376 -9.774 1.875 1.00 0.00 C ATOM 1148 CD GLU A 75 11.256 -11.131 1.177 1.00 0.00 C ATOM 1149 OE1 GLU A 75 10.453 -11.237 0.266 1.00 0.00 O ATOM 1150 OE2 GLU A 75 11.972 -12.039 1.566 1.00 0.00 O ATOM 0 H GLU A 75 9.594 -7.207 0.170 1.00 0.00 H new ATOM 0 HA GLU A 75 11.485 -7.325 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 75 11.117 -8.874 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.740 -8.720 0.568 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.165 -9.808 2.626 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.449 -9.539 2.398 1.00 0.00 H new ATOM 1157 N ASP A 76 12.998 -5.571 1.577 1.00 0.00 N ATOM 1158 CA ASP A 76 13.889 -4.510 1.028 1.00 0.00 C ATOM 1159 C ASP A 76 15.072 -5.160 0.307 1.00 0.00 C ATOM 1160 O ASP A 76 15.735 -5.981 0.918 1.00 0.00 O ATOM 1161 CB ASP A 76 14.406 -3.641 2.176 1.00 0.00 C ATOM 1162 CG ASP A 76 13.287 -2.719 2.664 1.00 0.00 C ATOM 1163 OD1 ASP A 76 12.286 -3.234 3.136 1.00 0.00 O ATOM 1164 OD2 ASP A 76 13.450 -1.515 2.559 1.00 0.00 O ATOM 1165 OXT ASP A 76 15.295 -4.824 -0.844 1.00 0.00 O ATOM 0 H ASP A 76 13.059 -5.708 2.586 1.00 0.00 H new ATOM 0 HA ASP A 76 13.331 -3.892 0.324 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.755 -4.271 2.994 1.00 0.00 H new ATOM 0 HB3 ASP A 76 15.259 -3.050 1.843 1.00 0.00 H new