USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 453 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 51 THR OG1 : rot 41:sc= -0.892 USER MOD Set 1.2: A 69 MET CE :methyl -149:sc= -6.48! (180deg=-6.52!) USER MOD Single : A 11 SER OG : rot -78:sc= 1.22 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 HIS :FLIP no HE2:sc= 0.103 F(o=-0.51,f=0.1) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0359 X(o=-0.036,f=-0.22) USER MOD Single : A 22 MET CE :methyl -161:sc= -0.701 (180deg=-2.44!) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.151 USER MOD Single : A 25 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-7.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 111:sc= 2.24 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -145:sc= 0.0193 (180deg=-0.258) USER MOD Single : A 74 GLN : amide:sc= 0.135 X(o=0.13,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 177:sc= 0.326 (180deg=0.21) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -31.683 19.863 18.206 1.00 0.00 N ATOM 122 CA PRO A 9 -33.075 20.175 18.606 1.00 0.00 C ATOM 123 C PRO A 9 -34.089 19.654 17.573 1.00 0.00 C ATOM 124 O PRO A 9 -34.882 20.406 17.016 1.00 0.00 O ATOM 125 CB PRO A 9 -33.086 21.706 18.691 1.00 0.00 C ATOM 126 CG PRO A 9 -31.915 22.201 17.812 1.00 0.00 C ATOM 127 CD PRO A 9 -30.923 21.029 17.705 1.00 0.00 C ATOM 0 HA PRO A 9 -33.364 19.700 19.543 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -34.035 22.108 18.336 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -32.965 22.038 19.722 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -32.270 22.500 16.826 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -31.438 23.074 18.257 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -30.594 20.878 16.677 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -30.029 21.208 18.302 1.00 0.00 H new ATOM 135 N ILE A 10 -34.081 18.372 17.318 1.00 0.00 N ATOM 136 CA ILE A 10 -35.045 17.787 16.330 1.00 0.00 C ATOM 137 C ILE A 10 -36.069 16.912 17.070 1.00 0.00 C ATOM 138 O ILE A 10 -37.276 17.092 16.926 1.00 0.00 O ATOM 139 CB ILE A 10 -34.273 16.941 15.302 1.00 0.00 C ATOM 140 CG1 ILE A 10 -33.152 17.780 14.669 1.00 0.00 C ATOM 141 CG2 ILE A 10 -35.225 16.468 14.202 1.00 0.00 C ATOM 142 CD1 ILE A 10 -33.745 19.004 13.963 1.00 0.00 C ATOM 0 H ILE A 10 -33.448 17.700 17.751 1.00 0.00 H new ATOM 0 HA ILE A 10 -35.571 18.588 15.811 1.00 0.00 H new ATOM 0 HB ILE A 10 -33.841 16.079 15.810 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -32.448 18.099 15.437 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -32.593 17.175 13.956 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -34.674 15.869 13.477 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -36.019 15.864 14.642 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -35.662 17.333 13.702 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -32.942 19.592 13.518 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -34.431 18.677 13.182 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -34.284 19.616 14.686 1.00 0.00 H new ATOM 154 N SER A 11 -35.609 15.975 17.866 1.00 0.00 N ATOM 155 CA SER A 11 -36.549 15.080 18.628 1.00 0.00 C ATOM 156 C SER A 11 -37.631 15.909 19.332 1.00 0.00 C ATOM 157 O SER A 11 -38.812 15.781 19.032 1.00 0.00 O ATOM 158 CB SER A 11 -35.767 14.284 19.677 1.00 0.00 C ATOM 159 OG SER A 11 -36.446 13.065 19.943 1.00 0.00 O ATOM 0 H SER A 11 -34.619 15.788 18.023 1.00 0.00 H new ATOM 0 HA SER A 11 -37.025 14.399 17.922 1.00 0.00 H new ATOM 0 HB2 SER A 11 -34.758 14.081 19.318 1.00 0.00 H new ATOM 0 HB3 SER A 11 -35.668 14.866 20.593 1.00 0.00 H new ATOM 0 HG SER A 11 -37.209 13.238 20.533 1.00 0.00 H new ATOM 165 N GLN A 12 -37.252 16.754 20.263 1.00 0.00 N ATOM 166 CA GLN A 12 -38.265 17.582 20.993 1.00 0.00 C ATOM 167 C GLN A 12 -39.194 18.292 20.000 1.00 0.00 C ATOM 168 O GLN A 12 -40.404 18.363 20.208 1.00 0.00 O ATOM 169 CB GLN A 12 -37.551 18.608 21.875 1.00 0.00 C ATOM 170 CG GLN A 12 -37.419 18.040 23.294 1.00 0.00 C ATOM 171 CD GLN A 12 -36.932 19.131 24.246 1.00 0.00 C ATOM 172 OE1 GLN A 12 -37.729 19.811 24.878 1.00 0.00 O ATOM 173 NE2 GLN A 12 -35.658 19.343 24.381 1.00 0.00 N ATOM 0 H GLN A 12 -36.285 16.906 20.548 1.00 0.00 H new ATOM 0 HA GLN A 12 -38.870 16.928 21.621 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -36.566 18.835 21.467 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -38.111 19.543 21.894 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -38.381 17.653 23.631 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -36.720 17.204 23.297 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -34.989 18.779 23.857 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -35.326 20.073 25.011 1.00 0.00 H new ATOM 182 N VAL A 13 -38.669 18.796 18.913 1.00 0.00 N ATOM 183 CA VAL A 13 -39.554 19.464 17.909 1.00 0.00 C ATOM 184 C VAL A 13 -40.586 18.440 17.426 1.00 0.00 C ATOM 185 O VAL A 13 -41.782 18.726 17.339 1.00 0.00 O ATOM 186 CB VAL A 13 -38.723 19.964 16.720 1.00 0.00 C ATOM 187 CG1 VAL A 13 -39.653 20.567 15.667 1.00 0.00 C ATOM 188 CG2 VAL A 13 -37.747 21.043 17.189 1.00 0.00 C ATOM 0 H VAL A 13 -37.677 18.775 18.677 1.00 0.00 H new ATOM 0 HA VAL A 13 -40.053 20.320 18.364 1.00 0.00 H new ATOM 0 HB VAL A 13 -38.170 19.126 16.295 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -39.064 20.923 14.822 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -40.356 19.808 15.325 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -40.203 21.401 16.102 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -37.159 21.395 16.341 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -38.304 21.877 17.616 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -37.081 20.627 17.945 1.00 0.00 H new ATOM 198 N HIS A 14 -40.149 17.238 17.144 1.00 0.00 N ATOM 199 CA HIS A 14 -41.093 16.175 16.703 1.00 0.00 C ATOM 200 C HIS A 14 -42.033 15.840 17.871 1.00 0.00 C ATOM 201 O HIS A 14 -43.244 15.719 17.697 1.00 0.00 O ATOM 202 CB HIS A 14 -40.293 14.932 16.299 1.00 0.00 C ATOM 203 CG HIS A 14 -39.709 15.130 14.928 1.00 0.00 C ATOM 204 ND1 HIS A 14 -38.780 16.018 14.443 1.00 0.00 N flip ATOM 205 CD2 HIS A 14 -40.079 14.345 13.852 1.00 0.00 C flip ATOM 206 CE1 HIS A 14 -38.577 15.789 13.086 1.00 0.00 C flip ATOM 207 NE2 HIS A 14 -39.383 14.770 12.780 1.00 0.00 N flip ATOM 0 H HIS A 14 -39.172 16.949 17.202 1.00 0.00 H new ATOM 0 HA HIS A 14 -41.679 16.514 15.849 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -39.497 14.749 17.021 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -40.938 14.054 16.307 1.00 0.00 H new ATOM 0 HD1 HIS A 14 -38.310 16.736 14.994 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -40.796 13.537 13.868 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -37.911 16.321 12.423 1.00 0.00 H new ATOM 215 N GLU A 15 -41.495 15.715 19.061 1.00 0.00 N ATOM 216 CA GLU A 15 -42.340 15.415 20.261 1.00 0.00 C ATOM 217 C GLU A 15 -43.422 16.500 20.399 1.00 0.00 C ATOM 218 O GLU A 15 -44.595 16.207 20.634 1.00 0.00 O ATOM 219 CB GLU A 15 -41.449 15.401 21.513 1.00 0.00 C ATOM 220 CG GLU A 15 -40.517 14.173 21.479 1.00 0.00 C ATOM 221 CD GLU A 15 -39.134 14.519 22.049 1.00 0.00 C ATOM 222 OE1 GLU A 15 -39.071 15.226 23.040 1.00 0.00 O ATOM 223 OE2 GLU A 15 -38.156 14.059 21.486 1.00 0.00 O ATOM 0 H GLU A 15 -40.498 15.809 19.254 1.00 0.00 H new ATOM 0 HA GLU A 15 -42.818 14.442 20.149 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -40.858 16.316 21.560 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -42.068 15.375 22.410 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -40.959 13.360 22.055 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -40.414 13.818 20.454 1.00 0.00 H new ATOM 230 N ILE A 16 -43.056 17.749 20.238 1.00 0.00 N ATOM 231 CA ILE A 16 -44.064 18.853 20.335 1.00 0.00 C ATOM 232 C ILE A 16 -44.995 18.790 19.115 1.00 0.00 C ATOM 233 O ILE A 16 -46.210 18.978 19.226 1.00 0.00 O ATOM 234 CB ILE A 16 -43.344 20.211 20.369 1.00 0.00 C ATOM 235 CG1 ILE A 16 -42.443 20.293 21.607 1.00 0.00 C ATOM 236 CG2 ILE A 16 -44.375 21.341 20.426 1.00 0.00 C ATOM 237 CD1 ILE A 16 -43.261 19.999 22.866 1.00 0.00 C ATOM 0 H ILE A 16 -42.102 18.052 20.043 1.00 0.00 H new ATOM 0 HA ILE A 16 -44.648 18.738 21.248 1.00 0.00 H new ATOM 0 HB ILE A 16 -42.737 20.311 19.469 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -41.624 19.579 21.520 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -41.995 21.284 21.677 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -43.861 22.302 20.450 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -45.015 21.294 19.545 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -44.984 21.233 21.324 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -42.615 20.059 23.742 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -44.064 20.730 22.957 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -43.687 18.998 22.797 1.00 0.00 H new ATOM 249 N GLY A 17 -44.447 18.519 17.954 1.00 0.00 N ATOM 250 CA GLY A 17 -45.288 18.422 16.717 1.00 0.00 C ATOM 251 C GLY A 17 -46.337 17.324 16.909 1.00 0.00 C ATOM 252 O GLY A 17 -47.535 17.545 16.713 1.00 0.00 O ATOM 0 H GLY A 17 -43.450 18.360 17.809 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -45.775 19.377 16.518 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -44.662 18.197 15.853 1.00 0.00 H new ATOM 256 N ILE A 18 -45.917 16.154 17.323 1.00 0.00 N ATOM 257 CA ILE A 18 -46.890 15.041 17.567 1.00 0.00 C ATOM 258 C ILE A 18 -47.539 15.250 18.942 1.00 0.00 C ATOM 259 O ILE A 18 -47.551 14.368 19.799 1.00 0.00 O ATOM 260 CB ILE A 18 -46.164 13.693 17.551 1.00 0.00 C ATOM 261 CG1 ILE A 18 -45.402 13.521 16.238 1.00 0.00 C ATOM 262 CG2 ILE A 18 -47.190 12.568 17.687 1.00 0.00 C ATOM 263 CD1 ILE A 18 -44.007 12.982 16.542 1.00 0.00 C ATOM 0 H ILE A 18 -44.941 15.920 17.503 1.00 0.00 H new ATOM 0 HA ILE A 18 -47.649 15.042 16.784 1.00 0.00 H new ATOM 0 HB ILE A 18 -45.458 13.658 18.381 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -45.936 12.835 15.580 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -45.332 14.475 15.715 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -46.678 11.606 17.676 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -47.731 12.681 18.626 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -47.893 12.614 16.855 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -43.455 12.856 15.611 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -43.478 13.685 17.185 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -44.091 12.020 17.047 1.00 0.00 H new ATOM 275 N LYS A 19 -48.071 16.409 19.170 1.00 0.00 N ATOM 276 CA LYS A 19 -48.710 16.694 20.481 1.00 0.00 C ATOM 277 C LYS A 19 -49.738 17.813 20.293 1.00 0.00 C ATOM 278 O LYS A 19 -50.914 17.662 20.612 1.00 0.00 O ATOM 279 CB LYS A 19 -47.628 17.128 21.471 1.00 0.00 C ATOM 280 CG LYS A 19 -48.168 17.051 22.900 1.00 0.00 C ATOM 281 CD LYS A 19 -46.991 16.988 23.881 1.00 0.00 C ATOM 282 CE LYS A 19 -47.258 15.924 24.946 1.00 0.00 C ATOM 283 NZ LYS A 19 -48.217 16.469 25.955 1.00 0.00 N ATOM 0 H LYS A 19 -48.093 17.179 18.502 1.00 0.00 H new ATOM 0 HA LYS A 19 -49.212 15.807 20.867 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -46.752 16.488 21.369 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -47.307 18.146 21.249 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -48.789 17.921 23.114 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -48.801 16.171 23.016 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -46.071 16.755 23.345 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -46.847 17.960 24.353 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -47.668 15.026 24.485 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -46.325 15.636 25.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -48.402 15.749 26.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -47.808 17.315 26.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -49.109 16.723 25.484 1.00 0.00 H new ATOM 297 N ARG A 20 -49.315 18.924 19.751 1.00 0.00 N ATOM 298 CA ARG A 20 -50.263 20.053 19.504 1.00 0.00 C ATOM 299 C ARG A 20 -50.809 19.951 18.066 1.00 0.00 C ATOM 300 O ARG A 20 -51.140 20.955 17.438 1.00 0.00 O ATOM 301 CB ARG A 20 -49.521 21.383 19.691 1.00 0.00 C ATOM 302 CG ARG A 20 -50.054 22.097 20.937 1.00 0.00 C ATOM 303 CD ARG A 20 -49.202 23.335 21.223 1.00 0.00 C ATOM 304 NE ARG A 20 -49.941 24.559 20.781 1.00 0.00 N ATOM 305 CZ ARG A 20 -49.439 25.731 20.994 1.00 0.00 C ATOM 306 NH1 ARG A 20 -48.496 26.169 20.242 1.00 0.00 N ATOM 307 NH2 ARG A 20 -49.885 26.460 21.956 1.00 0.00 N ATOM 0 H ARG A 20 -48.351 19.100 19.467 1.00 0.00 H new ATOM 0 HA ARG A 20 -51.094 20.004 20.207 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -48.451 21.203 19.792 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -49.656 22.013 18.812 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -51.094 22.386 20.786 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -50.032 21.422 21.793 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -48.977 23.397 22.288 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -48.249 23.263 20.699 1.00 0.00 H new ATOM 0 HE ARG A 20 -50.842 24.468 20.311 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -48.144 25.593 19.478 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -48.099 27.094 20.409 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -50.636 26.113 22.553 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -49.487 27.384 22.122 1.00 0.00 H new ATOM 321 N ASN A 21 -50.905 18.750 17.537 1.00 0.00 N ATOM 322 CA ASN A 21 -51.421 18.554 16.143 1.00 0.00 C ATOM 323 C ASN A 21 -50.621 19.423 15.154 1.00 0.00 C ATOM 324 O ASN A 21 -51.186 20.186 14.371 1.00 0.00 O ATOM 325 CB ASN A 21 -52.907 18.931 16.095 1.00 0.00 C ATOM 326 CG ASN A 21 -53.641 17.981 15.153 1.00 0.00 C ATOM 327 OD1 ASN A 21 -53.606 16.771 15.333 1.00 0.00 O ATOM 328 ND2 ASN A 21 -54.305 18.460 14.148 1.00 0.00 N ATOM 0 H ASN A 21 -50.645 17.889 18.019 1.00 0.00 H new ATOM 0 HA ASN A 21 -51.304 17.508 15.858 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -53.340 18.877 17.094 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -53.022 19.960 15.754 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -54.794 17.829 13.513 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -54.338 19.468 13.992 1.00 0.00 H new ATOM 335 N MET A 22 -49.315 19.323 15.174 1.00 0.00 N ATOM 336 CA MET A 22 -48.488 20.148 14.241 1.00 0.00 C ATOM 337 C MET A 22 -47.528 19.255 13.438 1.00 0.00 C ATOM 338 O MET A 22 -46.582 18.683 13.979 1.00 0.00 O ATOM 339 CB MET A 22 -47.677 21.165 15.051 1.00 0.00 C ATOM 340 CG MET A 22 -48.621 22.144 15.755 1.00 0.00 C ATOM 341 SD MET A 22 -47.664 23.524 16.436 1.00 0.00 S ATOM 342 CE MET A 22 -46.424 22.538 17.312 1.00 0.00 C ATOM 0 H MET A 22 -48.788 18.708 15.794 1.00 0.00 H new ATOM 0 HA MET A 22 -49.150 20.665 13.546 1.00 0.00 H new ATOM 0 HB2 MET A 22 -47.061 20.648 15.787 1.00 0.00 H new ATOM 0 HB3 MET A 22 -46.999 21.709 14.393 1.00 0.00 H new ATOM 0 HG2 MET A 22 -49.366 22.516 15.052 1.00 0.00 H new ATOM 0 HG3 MET A 22 -49.162 21.634 16.552 1.00 0.00 H new ATOM 0 HE1 MET A 22 -45.937 23.154 18.068 1.00 0.00 H new ATOM 0 HE2 MET A 22 -46.908 21.688 17.793 1.00 0.00 H new ATOM 0 HE3 MET A 22 -45.679 22.177 16.603 1.00 0.00 H new ATOM 352 N THR A 23 -47.741 19.141 12.153 1.00 0.00 N ATOM 353 CA THR A 23 -46.833 18.305 11.303 1.00 0.00 C ATOM 354 C THR A 23 -45.443 18.948 11.266 1.00 0.00 C ATOM 355 O THR A 23 -45.289 20.087 10.836 1.00 0.00 O ATOM 356 CB THR A 23 -47.392 18.233 9.877 1.00 0.00 C ATOM 357 OG1 THR A 23 -48.343 19.273 9.693 1.00 0.00 O ATOM 358 CG2 THR A 23 -48.077 16.887 9.659 1.00 0.00 C ATOM 0 H THR A 23 -48.507 19.591 11.651 1.00 0.00 H new ATOM 0 HA THR A 23 -46.765 17.301 11.721 1.00 0.00 H new ATOM 0 HB THR A 23 -46.575 18.345 9.164 1.00 0.00 H new ATOM 0 HG1 THR A 23 -48.701 19.231 8.782 1.00 0.00 H new ATOM 0 HG21 THR A 23 -48.473 16.840 8.644 1.00 0.00 H new ATOM 0 HG22 THR A 23 -47.355 16.084 9.804 1.00 0.00 H new ATOM 0 HG23 THR A 23 -48.893 16.774 10.372 1.00 0.00 H new ATOM 366 N VAL A 24 -44.436 18.249 11.719 1.00 0.00 N ATOM 367 CA VAL A 24 -43.053 18.829 11.723 1.00 0.00 C ATOM 368 C VAL A 24 -42.262 18.307 10.515 1.00 0.00 C ATOM 369 O VAL A 24 -41.912 17.126 10.440 1.00 0.00 O ATOM 370 CB VAL A 24 -42.343 18.424 13.023 1.00 0.00 C ATOM 371 CG1 VAL A 24 -40.879 18.863 12.977 1.00 0.00 C ATOM 372 CG2 VAL A 24 -43.025 19.104 14.210 1.00 0.00 C ATOM 0 H VAL A 24 -44.508 17.301 12.087 1.00 0.00 H new ATOM 0 HA VAL A 24 -43.114 19.916 11.660 1.00 0.00 H new ATOM 0 HB VAL A 24 -42.396 17.341 13.132 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -40.383 18.572 13.903 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -40.382 18.385 12.133 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -40.827 19.946 12.862 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -42.521 18.817 15.133 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -42.972 20.186 14.089 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -44.069 18.795 14.256 1.00 0.00 H new ATOM 382 N HIS A 25 -41.971 19.157 9.565 1.00 0.00 N ATOM 383 CA HIS A 25 -41.199 18.702 8.364 1.00 0.00 C ATOM 384 C HIS A 25 -40.042 19.678 8.082 1.00 0.00 C ATOM 385 O HIS A 25 -40.239 20.888 7.961 1.00 0.00 O ATOM 386 CB HIS A 25 -42.127 18.637 7.140 1.00 0.00 C ATOM 387 CG HIS A 25 -43.358 17.822 7.450 1.00 0.00 C ATOM 388 ND1 HIS A 25 -43.349 16.767 8.349 1.00 0.00 N ATOM 389 CD2 HIS A 25 -44.643 17.892 6.973 1.00 0.00 C ATOM 390 CE1 HIS A 25 -44.591 16.248 8.380 1.00 0.00 C ATOM 391 NE2 HIS A 25 -45.419 16.898 7.561 1.00 0.00 N ATOM 0 H HIS A 25 -42.232 20.143 9.566 1.00 0.00 H new ATOM 0 HA HIS A 25 -40.792 17.710 8.561 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -42.417 19.645 6.843 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -41.595 18.196 6.297 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -42.547 16.443 8.889 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -44.999 18.611 6.250 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -44.881 15.408 8.993 1.00 0.00 H new ATOM 399 N PHE A 26 -38.840 19.171 7.969 1.00 0.00 N ATOM 400 CA PHE A 26 -37.664 20.059 7.687 1.00 0.00 C ATOM 401 C PHE A 26 -37.407 20.112 6.172 1.00 0.00 C ATOM 402 O PHE A 26 -37.585 19.121 5.462 1.00 0.00 O ATOM 403 CB PHE A 26 -36.421 19.499 8.390 1.00 0.00 C ATOM 404 CG PHE A 26 -36.378 19.977 9.822 1.00 0.00 C ATOM 405 CD1 PHE A 26 -36.999 19.227 10.828 1.00 0.00 C ATOM 406 CD2 PHE A 26 -35.711 21.164 10.145 1.00 0.00 C ATOM 407 CE1 PHE A 26 -36.955 19.667 12.156 1.00 0.00 C ATOM 408 CE2 PHE A 26 -35.668 21.604 11.473 1.00 0.00 C ATOM 409 CZ PHE A 26 -36.289 20.854 12.479 1.00 0.00 C ATOM 0 H PHE A 26 -38.619 18.179 8.060 1.00 0.00 H new ATOM 0 HA PHE A 26 -37.875 21.063 8.056 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -36.437 18.409 8.362 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -35.521 19.818 7.864 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -37.512 18.310 10.579 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -35.229 21.741 9.369 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -37.436 19.090 12.932 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -35.156 22.522 11.722 1.00 0.00 H new ATOM 0 HZ PHE A 26 -36.254 21.192 13.504 1.00 0.00 H new ATOM 419 N LYS A 27 -36.995 21.244 5.663 1.00 0.00 N ATOM 420 CA LYS A 27 -36.731 21.355 4.195 1.00 0.00 C ATOM 421 C LYS A 27 -35.641 22.406 3.922 1.00 0.00 C ATOM 422 O LYS A 27 -35.717 23.546 4.379 1.00 0.00 O ATOM 423 CB LYS A 27 -38.025 21.765 3.481 1.00 0.00 C ATOM 424 CG LYS A 27 -38.927 20.540 3.310 1.00 0.00 C ATOM 425 CD LYS A 27 -39.892 20.776 2.144 1.00 0.00 C ATOM 426 CE LYS A 27 -40.542 19.453 1.738 1.00 0.00 C ATOM 427 NZ LYS A 27 -39.687 18.782 0.714 1.00 0.00 N ATOM 0 H LYS A 27 -36.830 22.096 6.199 1.00 0.00 H new ATOM 0 HA LYS A 27 -36.388 20.390 3.822 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -38.542 22.533 4.056 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -37.794 22.198 2.508 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -38.322 19.653 3.122 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -39.486 20.356 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -40.658 21.495 2.433 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -39.356 21.204 1.297 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -40.660 18.809 2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -41.539 19.632 1.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -40.124 17.881 0.433 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -39.596 19.397 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -38.744 18.600 1.114 1.00 0.00 H new ATOM 441 N VAL A 28 -34.633 22.049 3.171 1.00 0.00 N ATOM 442 CA VAL A 28 -33.551 23.032 2.852 1.00 0.00 C ATOM 443 C VAL A 28 -33.957 23.827 1.603 1.00 0.00 C ATOM 444 O VAL A 28 -34.497 23.271 0.647 1.00 0.00 O ATOM 445 CB VAL A 28 -32.235 22.286 2.592 1.00 0.00 C ATOM 446 CG1 VAL A 28 -31.135 23.288 2.235 1.00 0.00 C ATOM 447 CG2 VAL A 28 -31.820 21.522 3.850 1.00 0.00 C ATOM 0 H VAL A 28 -34.510 21.122 2.764 1.00 0.00 H new ATOM 0 HA VAL A 28 -33.409 23.713 3.691 1.00 0.00 H new ATOM 0 HB VAL A 28 -32.380 21.589 1.767 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -30.202 22.754 2.051 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -31.421 23.838 1.339 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -30.997 23.986 3.061 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -30.885 20.993 3.663 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -31.682 22.224 4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -32.597 20.804 4.112 1.00 0.00 H new ATOM 457 N LEU A 29 -33.721 25.113 1.593 1.00 0.00 N ATOM 458 CA LEU A 29 -34.109 25.936 0.402 1.00 0.00 C ATOM 459 C LEU A 29 -33.132 25.676 -0.749 1.00 0.00 C ATOM 460 O LEU A 29 -33.530 25.308 -1.856 1.00 0.00 O ATOM 461 CB LEU A 29 -34.094 27.433 0.759 1.00 0.00 C ATOM 462 CG LEU A 29 -34.643 27.656 2.170 1.00 0.00 C ATOM 463 CD1 LEU A 29 -34.723 29.153 2.451 1.00 0.00 C ATOM 464 CD2 LEU A 29 -36.044 27.056 2.285 1.00 0.00 C ATOM 0 H LEU A 29 -33.279 25.630 2.353 1.00 0.00 H new ATOM 0 HA LEU A 29 -35.116 25.654 0.096 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -33.076 27.818 0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -34.692 27.990 0.038 1.00 0.00 H new ATOM 0 HG LEU A 29 -33.980 27.175 2.889 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -35.114 29.314 3.456 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -33.728 29.591 2.374 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -35.384 29.625 1.724 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -36.428 27.219 3.292 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -36.705 27.535 1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -35.999 25.986 2.082 1.00 0.00 H new ATOM 476 N ARG A 30 -31.862 25.864 -0.512 1.00 0.00 N ATOM 477 CA ARG A 30 -30.857 25.627 -1.599 1.00 0.00 C ATOM 478 C ARG A 30 -29.421 25.741 -1.061 1.00 0.00 C ATOM 479 O ARG A 30 -29.160 26.397 -0.053 1.00 0.00 O ATOM 480 CB ARG A 30 -31.068 26.661 -2.714 1.00 0.00 C ATOM 481 CG ARG A 30 -30.782 26.020 -4.077 1.00 0.00 C ATOM 482 CD ARG A 30 -31.794 24.902 -4.342 1.00 0.00 C ATOM 483 NE ARG A 30 -31.839 24.616 -5.810 1.00 0.00 N ATOM 484 CZ ARG A 30 -32.779 25.114 -6.542 1.00 0.00 C ATOM 485 NH1 ARG A 30 -33.966 24.616 -6.487 1.00 0.00 N ATOM 486 NH2 ARG A 30 -32.525 26.109 -7.320 1.00 0.00 N ATOM 0 H ARG A 30 -31.474 26.170 0.381 1.00 0.00 H new ATOM 0 HA ARG A 30 -30.997 24.618 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -32.091 27.036 -2.686 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -30.410 27.516 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -30.842 26.772 -4.864 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -29.769 25.619 -4.096 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -31.513 24.003 -3.793 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -32.781 25.197 -3.987 1.00 0.00 H new ATOM 0 HE ARG A 30 -31.124 24.025 -6.234 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -34.161 23.830 -5.866 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -34.710 25.007 -7.064 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -31.584 26.501 -7.356 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -33.265 26.505 -7.900 1.00 0.00 H new ATOM 631 N PHE A 40 -25.910 27.757 4.903 1.00 0.00 N ATOM 632 CA PHE A 40 -26.911 26.652 4.780 1.00 0.00 C ATOM 633 C PHE A 40 -28.296 27.131 5.243 1.00 0.00 C ATOM 634 O PHE A 40 -28.641 27.062 6.424 1.00 0.00 O ATOM 635 CB PHE A 40 -26.456 25.463 5.630 1.00 0.00 C ATOM 636 CG PHE A 40 -25.587 24.567 4.787 1.00 0.00 C ATOM 637 CD1 PHE A 40 -26.155 23.825 3.747 1.00 0.00 C ATOM 638 CD2 PHE A 40 -24.214 24.485 5.037 1.00 0.00 C ATOM 639 CE1 PHE A 40 -25.351 23.001 2.956 1.00 0.00 C ATOM 640 CE2 PHE A 40 -23.407 23.661 4.244 1.00 0.00 C ATOM 641 CZ PHE A 40 -23.976 22.918 3.204 1.00 0.00 C ATOM 0 HA PHE A 40 -26.983 26.348 3.736 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -25.904 25.812 6.502 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -27.320 24.911 6.000 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -27.216 23.889 3.555 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -23.776 25.057 5.842 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -25.790 22.428 2.153 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -22.346 23.599 4.435 1.00 0.00 H new ATOM 0 HZ PHE A 40 -23.354 22.281 2.593 1.00 0.00 H new ATOM 651 N ILE A 41 -29.098 27.610 4.330 1.00 0.00 N ATOM 652 CA ILE A 41 -30.464 28.093 4.706 1.00 0.00 C ATOM 653 C ILE A 41 -31.428 26.900 4.794 1.00 0.00 C ATOM 654 O ILE A 41 -31.815 26.311 3.781 1.00 0.00 O ATOM 655 CB ILE A 41 -30.978 29.086 3.654 1.00 0.00 C ATOM 656 CG1 ILE A 41 -29.860 30.048 3.240 1.00 0.00 C ATOM 657 CG2 ILE A 41 -32.130 29.897 4.243 1.00 0.00 C ATOM 658 CD1 ILE A 41 -29.415 29.739 1.808 1.00 0.00 C ATOM 0 H ILE A 41 -28.869 27.689 3.339 1.00 0.00 H new ATOM 0 HA ILE A 41 -30.409 28.591 5.674 1.00 0.00 H new ATOM 0 HB ILE A 41 -31.316 28.528 2.781 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -30.210 31.078 3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -29.015 29.953 3.922 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -32.497 30.603 3.498 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -32.937 29.225 4.534 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -31.780 30.443 5.119 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -28.620 30.426 1.518 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -29.047 28.714 1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -30.261 29.857 1.131 1.00 0.00 H new ATOM 670 N THR A 42 -31.831 26.530 5.980 1.00 0.00 N ATOM 671 CA THR A 42 -32.779 25.379 6.125 1.00 0.00 C ATOM 672 C THR A 42 -34.094 25.878 6.724 1.00 0.00 C ATOM 673 O THR A 42 -34.109 26.588 7.728 1.00 0.00 O ATOM 674 CB THR A 42 -32.175 24.305 7.038 1.00 0.00 C ATOM 675 OG1 THR A 42 -30.905 23.906 6.536 1.00 0.00 O ATOM 676 CG2 THR A 42 -33.096 23.087 7.076 1.00 0.00 C ATOM 0 H THR A 42 -31.548 26.972 6.855 1.00 0.00 H new ATOM 0 HA THR A 42 -32.963 24.944 5.143 1.00 0.00 H new ATOM 0 HB THR A 42 -32.062 24.715 8.041 1.00 0.00 H new ATOM 0 HG1 THR A 42 -30.522 23.221 7.123 1.00 0.00 H new ATOM 0 HG21 THR A 42 -32.665 22.325 7.725 1.00 0.00 H new ATOM 0 HG22 THR A 42 -34.073 23.381 7.460 1.00 0.00 H new ATOM 0 HG23 THR A 42 -33.209 22.684 6.069 1.00 0.00 H new ATOM 684 N ALA A 43 -35.198 25.523 6.129 1.00 0.00 N ATOM 685 CA ALA A 43 -36.518 25.977 6.654 1.00 0.00 C ATOM 686 C ALA A 43 -37.274 24.789 7.268 1.00 0.00 C ATOM 687 O ALA A 43 -37.042 23.631 6.922 1.00 0.00 O ATOM 688 CB ALA A 43 -37.329 26.570 5.497 1.00 0.00 C ATOM 0 H ALA A 43 -35.244 24.935 5.297 1.00 0.00 H new ATOM 0 HA ALA A 43 -36.369 26.731 7.427 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -38.298 26.906 5.867 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -36.790 27.416 5.071 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -37.477 25.810 4.730 1.00 0.00 H new ATOM 694 N CYS A 44 -38.174 25.054 8.174 1.00 0.00 N ATOM 695 CA CYS A 44 -38.951 23.948 8.809 1.00 0.00 C ATOM 696 C CYS A 44 -40.438 24.310 8.842 1.00 0.00 C ATOM 697 O CYS A 44 -40.813 25.450 9.125 1.00 0.00 O ATOM 698 CB CYS A 44 -38.458 23.720 10.242 1.00 0.00 C ATOM 699 SG CYS A 44 -38.920 22.053 10.778 1.00 0.00 S ATOM 0 H CYS A 44 -38.407 25.991 8.504 1.00 0.00 H new ATOM 0 HA CYS A 44 -38.809 23.038 8.225 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -37.376 23.843 10.290 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -38.893 24.463 10.911 1.00 0.00 H new ATOM 0 HG CYS A 44 -37.850 21.324 10.899 1.00 0.00 H new ATOM 705 N ILE A 45 -41.292 23.361 8.575 1.00 0.00 N ATOM 706 CA ILE A 45 -42.758 23.634 8.613 1.00 0.00 C ATOM 707 C ILE A 45 -43.364 22.895 9.814 1.00 0.00 C ATOM 708 O ILE A 45 -43.078 21.718 10.053 1.00 0.00 O ATOM 709 CB ILE A 45 -43.417 23.169 7.305 1.00 0.00 C ATOM 710 CG1 ILE A 45 -44.822 23.765 7.204 1.00 0.00 C ATOM 711 CG2 ILE A 45 -43.522 21.643 7.277 1.00 0.00 C ATOM 712 CD1 ILE A 45 -45.320 23.660 5.762 1.00 0.00 C ATOM 0 H ILE A 45 -41.037 22.404 8.331 1.00 0.00 H new ATOM 0 HA ILE A 45 -42.934 24.705 8.717 1.00 0.00 H new ATOM 0 HB ILE A 45 -42.806 23.503 6.466 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -45.501 23.237 7.874 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -44.809 24.808 7.520 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -43.991 21.328 6.345 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -42.525 21.208 7.347 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -44.125 21.304 8.119 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -46.321 24.085 5.691 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -44.646 24.208 5.103 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -45.348 22.612 5.462 1.00 0.00 H new ATOM 724 N VAL A 46 -44.175 23.565 10.581 1.00 0.00 N ATOM 725 CA VAL A 46 -44.792 22.918 11.774 1.00 0.00 C ATOM 726 C VAL A 46 -46.306 23.202 11.786 1.00 0.00 C ATOM 727 O VAL A 46 -46.754 24.330 11.997 1.00 0.00 O ATOM 728 CB VAL A 46 -44.109 23.456 13.045 1.00 0.00 C ATOM 729 CG1 VAL A 46 -44.530 24.902 13.314 1.00 0.00 C ATOM 730 CG2 VAL A 46 -44.493 22.589 14.242 1.00 0.00 C ATOM 0 H VAL A 46 -44.440 24.539 10.433 1.00 0.00 H new ATOM 0 HA VAL A 46 -44.652 21.838 11.737 1.00 0.00 H new ATOM 0 HB VAL A 46 -43.030 23.425 12.896 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -44.036 25.263 14.216 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -44.244 25.528 12.469 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -45.611 24.947 13.449 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -44.008 22.973 15.140 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -45.574 22.612 14.376 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -44.171 21.563 14.066 1.00 0.00 H new ATOM 740 N GLY A 47 -47.104 22.195 11.538 1.00 0.00 N ATOM 741 CA GLY A 47 -48.592 22.390 11.513 1.00 0.00 C ATOM 742 C GLY A 47 -48.966 23.428 10.448 1.00 0.00 C ATOM 743 O GLY A 47 -48.920 23.155 9.252 1.00 0.00 O ATOM 0 H GLY A 47 -46.792 21.242 11.351 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -49.088 21.443 11.300 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -48.941 22.719 12.492 1.00 0.00 H new ATOM 747 N SER A 48 -49.334 24.613 10.861 1.00 0.00 N ATOM 748 CA SER A 48 -49.712 25.676 9.872 1.00 0.00 C ATOM 749 C SER A 48 -48.719 26.850 9.943 1.00 0.00 C ATOM 750 O SER A 48 -49.044 27.975 9.566 1.00 0.00 O ATOM 751 CB SER A 48 -51.123 26.193 10.181 1.00 0.00 C ATOM 752 OG SER A 48 -51.838 25.211 10.928 1.00 0.00 O ATOM 0 H SER A 48 -49.390 24.894 11.840 1.00 0.00 H new ATOM 0 HA SER A 48 -49.687 25.244 8.871 1.00 0.00 H new ATOM 0 HB2 SER A 48 -51.065 27.123 10.746 1.00 0.00 H new ATOM 0 HB3 SER A 48 -51.651 26.415 9.254 1.00 0.00 H new ATOM 0 HG SER A 48 -52.739 25.543 11.126 1.00 0.00 H new ATOM 758 N ILE A 49 -47.521 26.617 10.417 1.00 0.00 N ATOM 759 CA ILE A 49 -46.517 27.724 10.512 1.00 0.00 C ATOM 760 C ILE A 49 -45.176 27.263 9.920 1.00 0.00 C ATOM 761 O ILE A 49 -44.844 26.081 9.942 1.00 0.00 O ATOM 762 CB ILE A 49 -46.325 28.107 11.987 1.00 0.00 C ATOM 763 CG1 ILE A 49 -47.651 28.605 12.569 1.00 0.00 C ATOM 764 CG2 ILE A 49 -45.284 29.222 12.106 1.00 0.00 C ATOM 765 CD1 ILE A 49 -48.027 27.753 13.782 1.00 0.00 C ATOM 0 H ILE A 49 -47.193 25.708 10.743 1.00 0.00 H new ATOM 0 HA ILE A 49 -46.875 28.588 9.952 1.00 0.00 H new ATOM 0 HB ILE A 49 -45.986 27.228 12.536 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -47.563 29.652 12.860 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -48.436 28.549 11.814 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -45.154 29.488 13.155 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -44.334 28.878 11.698 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -45.622 30.096 11.550 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -48.971 28.107 14.197 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -48.133 26.712 13.477 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -47.246 27.832 14.538 1.00 0.00 H new ATOM 777 N VAL A 50 -44.396 28.172 9.399 1.00 0.00 N ATOM 778 CA VAL A 50 -43.070 27.784 8.816 1.00 0.00 C ATOM 779 C VAL A 50 -41.971 28.667 9.422 1.00 0.00 C ATOM 780 O VAL A 50 -42.207 29.819 9.786 1.00 0.00 O ATOM 781 CB VAL A 50 -43.083 27.967 7.290 1.00 0.00 C ATOM 782 CG1 VAL A 50 -42.080 27.006 6.653 1.00 0.00 C ATOM 783 CG2 VAL A 50 -44.476 27.666 6.730 1.00 0.00 C ATOM 0 H VAL A 50 -44.616 29.167 9.350 1.00 0.00 H new ATOM 0 HA VAL A 50 -42.876 26.736 9.046 1.00 0.00 H new ATOM 0 HB VAL A 50 -42.816 28.998 7.060 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -42.089 27.135 5.571 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -41.081 27.216 7.035 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -42.353 25.980 6.898 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -44.470 27.800 5.648 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -44.749 26.638 6.967 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -45.202 28.346 7.176 1.00 0.00 H new ATOM 793 N THR A 51 -40.778 28.152 9.543 1.00 0.00 N ATOM 794 CA THR A 51 -39.663 28.965 10.134 1.00 0.00 C ATOM 795 C THR A 51 -38.350 28.680 9.401 1.00 0.00 C ATOM 796 O THR A 51 -37.932 27.529 9.265 1.00 0.00 O ATOM 797 CB THR A 51 -39.489 28.611 11.617 1.00 0.00 C ATOM 798 OG1 THR A 51 -39.335 27.208 11.756 1.00 0.00 O ATOM 799 CG2 THR A 51 -40.716 29.060 12.405 1.00 0.00 C ATOM 0 H THR A 51 -40.522 27.206 9.260 1.00 0.00 H new ATOM 0 HA THR A 51 -39.915 30.021 10.031 1.00 0.00 H new ATOM 0 HB THR A 51 -38.605 29.119 12.002 1.00 0.00 H new ATOM 0 HG1 THR A 51 -38.751 26.871 11.045 1.00 0.00 H new ATOM 0 HG21 THR A 51 -40.586 28.806 13.457 1.00 0.00 H new ATOM 0 HG22 THR A 51 -40.838 30.138 12.305 1.00 0.00 H new ATOM 0 HG23 THR A 51 -41.602 28.557 12.017 1.00 0.00 H new ATOM 807 N GLU A 52 -37.686 29.703 8.931 1.00 0.00 N ATOM 808 CA GLU A 52 -36.393 29.498 8.208 1.00 0.00 C ATOM 809 C GLU A 52 -35.208 29.642 9.178 1.00 0.00 C ATOM 810 O GLU A 52 -35.264 30.399 10.159 1.00 0.00 O ATOM 811 CB GLU A 52 -36.270 30.534 7.089 1.00 0.00 C ATOM 812 CG GLU A 52 -37.078 30.063 5.874 1.00 0.00 C ATOM 813 CD GLU A 52 -37.429 31.257 4.989 1.00 0.00 C ATOM 814 OE1 GLU A 52 -38.289 32.026 5.382 1.00 0.00 O ATOM 815 OE2 GLU A 52 -36.833 31.377 3.933 1.00 0.00 O ATOM 0 H GLU A 52 -37.983 30.675 9.016 1.00 0.00 H new ATOM 0 HA GLU A 52 -36.378 28.494 7.785 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -36.636 31.502 7.431 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -35.224 30.668 6.815 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -36.502 29.334 5.304 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -37.989 29.563 6.204 1.00 0.00 H new ATOM 822 N GLY A 53 -34.138 28.930 8.920 1.00 0.00 N ATOM 823 CA GLY A 53 -32.931 29.003 9.805 1.00 0.00 C ATOM 824 C GLY A 53 -31.662 29.048 8.945 1.00 0.00 C ATOM 825 O GLY A 53 -31.280 28.057 8.320 1.00 0.00 O ATOM 0 H GLY A 53 -34.048 28.295 8.127 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -32.985 29.889 10.438 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -32.902 28.139 10.469 1.00 0.00 H new ATOM 829 N GLU A 54 -31.009 30.177 8.895 1.00 0.00 N ATOM 830 CA GLU A 54 -29.766 30.302 8.070 1.00 0.00 C ATOM 831 C GLU A 54 -28.560 29.730 8.837 1.00 0.00 C ATOM 832 O GLU A 54 -27.764 30.460 9.429 1.00 0.00 O ATOM 833 CB GLU A 54 -29.527 31.782 7.746 1.00 0.00 C ATOM 834 CG GLU A 54 -30.724 32.339 6.960 1.00 0.00 C ATOM 835 CD GLU A 54 -30.235 33.294 5.871 1.00 0.00 C ATOM 836 OE1 GLU A 54 -29.793 32.811 4.843 1.00 0.00 O ATOM 837 OE2 GLU A 54 -30.319 34.490 6.083 1.00 0.00 O ATOM 0 H GLU A 54 -31.282 31.025 9.392 1.00 0.00 H new ATOM 0 HA GLU A 54 -29.886 29.739 7.144 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -29.389 32.348 8.667 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -28.613 31.894 7.163 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -31.288 31.521 6.512 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -31.402 32.861 7.635 1.00 0.00 H new ATOM 844 N GLY A 55 -28.411 28.432 8.845 1.00 0.00 N ATOM 845 CA GLY A 55 -27.258 27.808 9.576 1.00 0.00 C ATOM 846 C GLY A 55 -25.967 27.918 8.750 1.00 0.00 C ATOM 847 O GLY A 55 -25.988 28.220 7.558 1.00 0.00 O ATOM 0 H GLY A 55 -29.035 27.773 8.379 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -27.122 28.300 10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -27.476 26.760 9.782 1.00 0.00 H new ATOM 943 N LYS A 62 -30.128 23.031 10.667 1.00 0.00 N ATOM 944 CA LYS A 62 -31.214 22.276 11.369 1.00 0.00 C ATOM 945 C LYS A 62 -31.263 22.705 12.846 1.00 0.00 C ATOM 946 O LYS A 62 -32.335 22.822 13.435 1.00 0.00 O ATOM 947 CB LYS A 62 -30.940 20.768 11.279 1.00 0.00 C ATOM 948 CG LYS A 62 -31.526 20.208 9.976 1.00 0.00 C ATOM 949 CD LYS A 62 -31.928 18.740 10.180 1.00 0.00 C ATOM 950 CE LYS A 62 -30.760 17.822 9.808 1.00 0.00 C ATOM 951 NZ LYS A 62 -31.235 16.404 9.788 1.00 0.00 N ATOM 0 HA LYS A 62 -32.171 22.495 10.895 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -29.867 20.582 11.315 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -31.381 20.258 12.135 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -32.394 20.794 9.674 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -30.793 20.287 9.173 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -32.216 18.574 11.218 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -32.797 18.503 9.566 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -30.362 18.098 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -29.949 17.936 10.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -30.445 15.777 9.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -31.596 16.145 10.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -31.995 16.302 9.086 1.00 0.00 H new ATOM 965 N LYS A 63 -30.122 22.951 13.448 1.00 0.00 N ATOM 966 CA LYS A 63 -30.101 23.386 14.880 1.00 0.00 C ATOM 967 C LYS A 63 -30.727 24.786 14.999 1.00 0.00 C ATOM 968 O LYS A 63 -31.774 24.953 15.615 1.00 0.00 O ATOM 969 CB LYS A 63 -28.650 23.414 15.394 1.00 0.00 C ATOM 970 CG LYS A 63 -28.638 23.213 16.916 1.00 0.00 C ATOM 971 CD LYS A 63 -27.314 23.732 17.501 1.00 0.00 C ATOM 972 CE LYS A 63 -27.596 24.825 18.539 1.00 0.00 C ATOM 973 NZ LYS A 63 -26.673 24.661 19.701 1.00 0.00 N ATOM 0 H LYS A 63 -29.205 22.869 13.008 1.00 0.00 H new ATOM 0 HA LYS A 63 -30.676 22.682 15.482 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -28.067 22.631 14.909 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -28.182 24.365 15.139 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -29.477 23.741 17.368 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -28.761 22.156 17.153 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -26.764 22.912 17.963 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -26.685 24.128 16.704 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -27.462 25.810 18.091 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -28.632 24.765 18.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -26.865 25.403 20.404 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -26.822 23.727 20.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -25.688 24.739 19.376 1.00 0.00 H new ATOM 987 N ARG A 64 -30.108 25.788 14.415 1.00 0.00 N ATOM 988 CA ARG A 64 -30.663 27.182 14.495 1.00 0.00 C ATOM 989 C ARG A 64 -32.081 27.233 13.901 1.00 0.00 C ATOM 990 O ARG A 64 -32.950 27.961 14.389 1.00 0.00 O ATOM 991 CB ARG A 64 -29.742 28.141 13.728 1.00 0.00 C ATOM 992 CG ARG A 64 -29.527 29.418 14.549 1.00 0.00 C ATOM 993 CD ARG A 64 -28.244 29.288 15.374 1.00 0.00 C ATOM 994 NE ARG A 64 -28.267 30.291 16.485 1.00 0.00 N ATOM 995 CZ ARG A 64 -27.491 30.149 17.510 1.00 0.00 C ATOM 996 NH1 ARG A 64 -27.828 29.367 18.466 1.00 0.00 N ATOM 997 NH2 ARG A 64 -26.378 30.795 17.575 1.00 0.00 N ATOM 0 H ARG A 64 -29.241 25.701 13.885 1.00 0.00 H new ATOM 0 HA ARG A 64 -30.716 27.483 15.541 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -28.785 27.660 13.529 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -30.182 28.388 12.762 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -29.460 30.281 13.887 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -30.379 29.587 15.207 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -28.160 28.280 15.780 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -27.372 29.450 14.740 1.00 0.00 H new ATOM 0 HE ARG A 64 -28.898 31.091 16.433 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -28.709 28.855 18.420 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -27.215 29.256 19.274 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -26.106 31.421 16.817 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -25.768 30.681 18.385 1.00 0.00 H new ATOM 1011 N ALA A 65 -32.341 26.473 12.864 1.00 0.00 N ATOM 1012 CA ALA A 65 -33.706 26.474 12.257 1.00 0.00 C ATOM 1013 C ALA A 65 -34.710 25.946 13.295 1.00 0.00 C ATOM 1014 O ALA A 65 -35.748 26.558 13.551 1.00 0.00 O ATOM 1015 CB ALA A 65 -33.716 25.572 11.019 1.00 0.00 C ATOM 0 H ALA A 65 -31.667 25.854 12.414 1.00 0.00 H new ATOM 0 HA ALA A 65 -33.982 27.486 11.961 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -34.712 25.573 10.576 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -32.995 25.945 10.291 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -33.448 24.556 11.307 1.00 0.00 H new ATOM 1021 N ALA A 66 -34.402 24.829 13.910 1.00 0.00 N ATOM 1022 CA ALA A 66 -35.310 24.256 14.949 1.00 0.00 C ATOM 1023 C ALA A 66 -35.317 25.177 16.179 1.00 0.00 C ATOM 1024 O ALA A 66 -36.363 25.420 16.782 1.00 0.00 O ATOM 1025 CB ALA A 66 -34.807 22.864 15.340 1.00 0.00 C ATOM 0 H ALA A 66 -33.555 24.288 13.734 1.00 0.00 H new ATOM 0 HA ALA A 66 -36.324 24.176 14.557 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -35.465 22.439 16.098 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -34.802 22.219 14.461 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -33.796 22.941 15.739 1.00 0.00 H new ATOM 1031 N GLU A 67 -34.173 25.708 16.547 1.00 0.00 N ATOM 1032 CA GLU A 67 -34.099 26.634 17.722 1.00 0.00 C ATOM 1033 C GLU A 67 -35.170 27.711 17.568 1.00 0.00 C ATOM 1034 O GLU A 67 -36.026 27.895 18.432 1.00 0.00 O ATOM 1035 CB GLU A 67 -32.722 27.306 17.762 1.00 0.00 C ATOM 1036 CG GLU A 67 -31.673 26.338 18.322 1.00 0.00 C ATOM 1037 CD GLU A 67 -30.271 26.860 17.999 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -29.918 27.910 18.502 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -29.570 26.202 17.257 1.00 0.00 O ATOM 0 H GLU A 67 -33.282 25.538 16.080 1.00 0.00 H new ATOM 0 HA GLU A 67 -34.257 26.071 18.642 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -32.435 27.623 16.759 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -32.765 28.203 18.380 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -31.795 26.237 19.400 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -31.811 25.346 17.891 1.00 0.00 H new ATOM 1046 N LYS A 68 -35.144 28.414 16.468 1.00 0.00 N ATOM 1047 CA LYS A 68 -36.165 29.472 16.227 1.00 0.00 C ATOM 1048 C LYS A 68 -37.561 28.838 16.248 1.00 0.00 C ATOM 1049 O LYS A 68 -38.457 29.314 16.933 1.00 0.00 O ATOM 1050 CB LYS A 68 -35.911 30.128 14.865 1.00 0.00 C ATOM 1051 CG LYS A 68 -36.958 31.222 14.627 1.00 0.00 C ATOM 1052 CD LYS A 68 -36.262 32.575 14.447 1.00 0.00 C ATOM 1053 CE LYS A 68 -36.530 33.108 13.039 1.00 0.00 C ATOM 1054 NZ LYS A 68 -35.673 32.369 12.056 1.00 0.00 N ATOM 0 H LYS A 68 -34.456 28.300 15.723 1.00 0.00 H new ATOM 0 HA LYS A 68 -36.100 30.232 17.006 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -34.909 30.555 14.835 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -35.963 29.381 14.073 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -37.549 30.986 13.742 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -37.649 31.267 15.469 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -36.626 33.284 15.190 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -35.189 32.467 14.608 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -37.583 32.984 12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -36.315 34.176 12.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -35.378 33.016 11.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -34.831 31.997 12.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -36.214 31.580 11.648 1.00 0.00 H new ATOM 1068 N MET A 69 -37.759 27.768 15.520 1.00 0.00 N ATOM 1069 CA MET A 69 -39.099 27.103 15.508 1.00 0.00 C ATOM 1070 C MET A 69 -39.584 26.856 16.950 1.00 0.00 C ATOM 1071 O MET A 69 -40.712 27.191 17.304 1.00 0.00 O ATOM 1072 CB MET A 69 -38.995 25.772 14.756 1.00 0.00 C ATOM 1073 CG MET A 69 -40.392 25.169 14.595 1.00 0.00 C ATOM 1074 SD MET A 69 -40.357 23.892 13.315 1.00 0.00 S ATOM 1075 CE MET A 69 -41.253 24.823 12.049 1.00 0.00 C ATOM 0 H MET A 69 -37.051 27.326 14.933 1.00 0.00 H new ATOM 0 HA MET A 69 -39.818 27.751 15.006 1.00 0.00 H new ATOM 0 HB2 MET A 69 -38.540 25.929 13.778 1.00 0.00 H new ATOM 0 HB3 MET A 69 -38.350 25.083 15.301 1.00 0.00 H new ATOM 0 HG2 MET A 69 -40.726 24.742 15.540 1.00 0.00 H new ATOM 0 HG3 MET A 69 -41.107 25.947 14.327 1.00 0.00 H new ATOM 0 HE1 MET A 69 -41.820 24.134 11.423 1.00 0.00 H new ATOM 0 HE2 MET A 69 -41.936 25.524 12.528 1.00 0.00 H new ATOM 0 HE3 MET A 69 -40.543 25.373 11.431 1.00 0.00 H new ATOM 1085 N LEU A 70 -38.759 26.283 17.789 1.00 0.00 N ATOM 1086 CA LEU A 70 -39.184 26.020 19.202 1.00 0.00 C ATOM 1087 C LEU A 70 -39.288 27.341 19.984 1.00 0.00 C ATOM 1088 O LEU A 70 -40.237 27.555 20.740 1.00 0.00 O ATOM 1089 CB LEU A 70 -38.165 25.094 19.878 1.00 0.00 C ATOM 1090 CG LEU A 70 -38.200 23.713 19.215 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -37.307 22.751 19.996 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -39.633 23.175 19.213 1.00 0.00 C ATOM 0 H LEU A 70 -37.811 25.986 17.560 1.00 0.00 H new ATOM 0 HA LEU A 70 -40.163 25.541 19.195 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -37.165 25.520 19.800 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -38.391 25.003 20.941 1.00 0.00 H new ATOM 0 HG LEU A 70 -37.842 23.800 18.189 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -37.331 21.768 19.525 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -36.284 23.126 20.000 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -37.668 22.671 21.021 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -39.652 22.193 18.740 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -39.992 23.091 20.239 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -40.277 23.857 18.658 1.00 0.00 H new ATOM 1104 N VAL A 71 -38.340 28.229 19.822 1.00 0.00 N ATOM 1105 CA VAL A 71 -38.392 29.536 20.557 1.00 0.00 C ATOM 1106 C VAL A 71 -39.653 30.317 20.144 1.00 0.00 C ATOM 1107 O VAL A 71 -40.307 30.958 20.970 1.00 0.00 O ATOM 1108 CB VAL A 71 -37.137 30.357 20.222 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -37.297 31.786 20.740 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -35.916 29.725 20.891 1.00 0.00 C ATOM 0 H VAL A 71 -37.531 28.108 19.213 1.00 0.00 H new ATOM 0 HA VAL A 71 -38.428 29.349 21.630 1.00 0.00 H new ATOM 0 HB VAL A 71 -37.003 30.371 19.140 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -36.404 32.362 20.499 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -38.165 32.248 20.270 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -37.436 31.768 21.821 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -35.027 30.309 20.652 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -36.060 29.709 21.971 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -35.789 28.705 20.527 1.00 0.00 H new ATOM 1120 N GLU A 72 -40.014 30.268 18.889 1.00 0.00 N ATOM 1121 CA GLU A 72 -41.233 30.995 18.424 1.00 0.00 C ATOM 1122 C GLU A 72 -42.476 30.162 18.760 1.00 0.00 C ATOM 1123 O GLU A 72 -43.497 30.697 19.188 1.00 0.00 O ATOM 1124 CB GLU A 72 -41.162 31.225 16.908 1.00 0.00 C ATOM 1125 CG GLU A 72 -39.782 31.789 16.525 1.00 0.00 C ATOM 1126 CD GLU A 72 -39.836 33.312 16.391 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -40.270 33.962 17.331 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -39.433 33.804 15.355 1.00 0.00 O ATOM 0 H GLU A 72 -39.515 29.754 18.163 1.00 0.00 H new ATOM 0 HA GLU A 72 -41.290 31.961 18.926 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -41.340 30.288 16.381 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -41.945 31.918 16.600 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -39.048 31.512 17.282 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -39.452 31.348 15.584 1.00 0.00 H new ATOM 1135 N LEU A 73 -42.407 28.864 18.582 1.00 0.00 N ATOM 1136 CA LEU A 73 -43.581 27.991 18.900 1.00 0.00 C ATOM 1137 C LEU A 73 -43.913 28.088 20.395 1.00 0.00 C ATOM 1138 O LEU A 73 -45.074 28.067 20.783 1.00 0.00 O ATOM 1139 CB LEU A 73 -43.256 26.535 18.545 1.00 0.00 C ATOM 1140 CG LEU A 73 -43.477 26.292 17.049 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -43.256 24.813 16.744 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -44.907 26.669 16.665 1.00 0.00 C ATOM 0 H LEU A 73 -41.587 28.371 18.230 1.00 0.00 H new ATOM 0 HA LEU A 73 -44.439 28.325 18.316 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -42.222 26.311 18.808 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -43.886 25.862 19.127 1.00 0.00 H new ATOM 0 HG LEU A 73 -42.776 26.903 16.480 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -43.412 24.634 15.680 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -42.237 24.534 17.014 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -43.961 24.213 17.320 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -45.056 26.493 15.600 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -45.609 26.060 17.235 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -45.077 27.723 16.886 1.00 0.00 H new ATOM 1154 N GLN A 74 -42.917 28.209 21.239 1.00 0.00 N ATOM 1155 CA GLN A 74 -43.185 28.327 22.711 1.00 0.00 C ATOM 1156 C GLN A 74 -43.797 29.709 23.032 1.00 0.00 C ATOM 1157 O GLN A 74 -44.106 30.014 24.183 1.00 0.00 O ATOM 1158 CB GLN A 74 -41.870 28.151 23.479 1.00 0.00 C ATOM 1159 CG GLN A 74 -41.513 26.660 23.553 1.00 0.00 C ATOM 1160 CD GLN A 74 -40.093 26.493 24.092 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -39.898 26.028 25.206 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -39.084 26.847 23.360 1.00 0.00 N ATOM 0 H GLN A 74 -41.932 28.231 20.975 1.00 0.00 H new ATOM 0 HA GLN A 74 -43.892 27.553 23.011 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -41.071 28.702 22.983 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -41.966 28.563 24.484 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -42.220 26.139 24.198 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -41.592 26.208 22.564 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -39.240 27.236 22.430 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -38.134 26.737 23.714 1.00 0.00 H new ATOM 1171 N LYS A 75 -43.982 30.543 22.036 1.00 0.00 N ATOM 1172 CA LYS A 75 -44.582 31.893 22.263 1.00 0.00 C ATOM 1173 C LYS A 75 -46.097 31.841 21.979 1.00 0.00 C ATOM 1174 O LYS A 75 -46.842 32.743 22.361 1.00 0.00 O ATOM 1175 CB LYS A 75 -43.926 32.893 21.303 1.00 0.00 C ATOM 1176 CG LYS A 75 -43.088 33.908 22.085 1.00 0.00 C ATOM 1177 CD LYS A 75 -42.542 34.971 21.122 1.00 0.00 C ATOM 1178 CE LYS A 75 -41.562 34.332 20.135 1.00 0.00 C ATOM 1179 NZ LYS A 75 -42.182 34.300 18.780 1.00 0.00 N ATOM 0 H LYS A 75 -43.740 30.342 21.066 1.00 0.00 H new ATOM 0 HA LYS A 75 -44.418 32.199 23.296 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -43.295 32.363 20.590 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -44.693 33.411 20.727 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -43.696 34.379 22.857 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -42.265 33.403 22.591 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -43.364 35.438 20.580 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -42.042 35.760 21.684 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -40.632 34.899 20.109 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -41.310 33.321 20.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -41.501 33.913 18.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -43.031 33.700 18.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -42.447 35.265 18.497 1.00 0.00 H new ATOM 1193 N LEU A 76 -46.554 30.819 21.294 1.00 0.00 N ATOM 1194 CA LEU A 76 -47.996 30.702 20.957 1.00 0.00 C ATOM 1195 C LEU A 76 -48.551 29.357 21.466 1.00 0.00 C ATOM 1196 O LEU A 76 -49.668 29.336 21.958 1.00 0.00 O ATOM 1197 CB LEU A 76 -48.130 30.763 19.437 1.00 0.00 C ATOM 1198 CG LEU A 76 -47.442 32.022 18.904 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -46.919 31.764 17.494 1.00 0.00 C ATOM 1200 CD2 LEU A 76 -48.444 33.171 18.868 1.00 0.00 C ATOM 1201 OXT LEU A 76 -47.860 28.358 21.344 1.00 0.00 O ATOM 0 H LEU A 76 -45.974 30.053 20.952 1.00 0.00 H new ATOM 0 HA LEU A 76 -48.557 31.510 21.427 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -47.683 29.876 18.988 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -49.183 30.767 19.156 1.00 0.00 H new ATOM 0 HG LEU A 76 -46.609 32.282 19.558 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -46.430 32.662 17.117 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -46.203 30.943 17.516 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -47.751 31.502 16.840 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -47.955 34.068 18.489 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -49.276 32.908 18.215 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -48.818 33.359 19.874 1.00 0.00 H new