USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=13 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 44 CYS SG : rot -25:sc= -2.68! USER MOD Set 1.2: A 51 THR OG1 : rot -140:sc= -0.431 USER MOD Set 1.3: A 69 MET CE :methyl -132:sc= -2.45 (180deg=-1.5) USER MOD Single : A 11 SER OG : rot 180:sc= 0.073 USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=-0.027) USER MOD Single : A 14 HIS : no HD1:sc= -0.052 X(o=-0.052,f=0.0062) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0217 (180deg=-0.422) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 MET CE :methyl -133:sc= -0.718 (180deg=-3.19!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.937 USER MOD Single : A 25 HIS : no HE2:sc= -1.48 K(o=-1.5,f=-8.7!) USER MOD Single : A 27 LYS NZ :NH3+ 132:sc= -0.233 (180deg=-1.19) USER MOD Single : A 42 THR OG1 : rot 155:sc= 1.01 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+ 169:sc= 0.895 (180deg=0.633) USER MOD Single : A 74 GLN : amide:sc= 0.105 X(o=0.1,f=0) USER MOD Single : A 75 LYS NZ :NH3+ 160:sc= 1.83 (180deg=1.5) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -16.374 16.956 4.291 1.00 0.00 N ATOM 122 CA PRO A 9 -15.628 16.087 5.226 1.00 0.00 C ATOM 123 C PRO A 9 -16.065 16.342 6.678 1.00 0.00 C ATOM 124 O PRO A 9 -15.298 16.829 7.507 1.00 0.00 O ATOM 125 CB PRO A 9 -14.166 16.480 4.992 1.00 0.00 C ATOM 126 CG PRO A 9 -14.189 17.899 4.379 1.00 0.00 C ATOM 127 CD PRO A 9 -15.582 18.083 3.751 1.00 0.00 C ATOM 0 HA PRO A 9 -15.802 15.024 5.059 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -13.607 16.470 5.927 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -13.677 15.775 4.320 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -14.005 18.654 5.143 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.407 18.009 3.627 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -16.018 19.044 4.024 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -15.536 18.052 2.662 1.00 0.00 H new ATOM 135 N ILE A 10 -17.289 16.011 6.995 1.00 0.00 N ATOM 136 CA ILE A 10 -17.799 16.216 8.387 1.00 0.00 C ATOM 137 C ILE A 10 -18.314 14.880 8.938 1.00 0.00 C ATOM 138 O ILE A 10 -17.816 14.373 9.943 1.00 0.00 O ATOM 139 CB ILE A 10 -18.938 17.247 8.366 1.00 0.00 C ATOM 140 CG1 ILE A 10 -18.369 18.624 8.024 1.00 0.00 C ATOM 141 CG2 ILE A 10 -19.605 17.311 9.743 1.00 0.00 C ATOM 142 CD1 ILE A 10 -19.516 19.603 7.767 1.00 0.00 C ATOM 0 H ILE A 10 -17.963 15.605 6.346 1.00 0.00 H new ATOM 0 HA ILE A 10 -16.995 16.584 9.025 1.00 0.00 H new ATOM 0 HB ILE A 10 -19.674 16.952 7.618 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -17.746 18.985 8.842 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.731 18.556 7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -20.412 18.044 9.723 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -20.010 16.332 9.997 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -18.868 17.604 10.491 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -19.109 20.584 7.523 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -20.121 19.244 6.934 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -20.136 19.679 8.660 1.00 0.00 H new ATOM 154 N SER A 11 -19.294 14.299 8.291 1.00 0.00 N ATOM 155 CA SER A 11 -19.852 12.988 8.755 1.00 0.00 C ATOM 156 C SER A 11 -18.718 11.973 8.940 1.00 0.00 C ATOM 157 O SER A 11 -18.415 11.566 10.057 1.00 0.00 O ATOM 158 CB SER A 11 -20.849 12.467 7.714 1.00 0.00 C ATOM 159 OG SER A 11 -20.496 12.975 6.430 1.00 0.00 O ATOM 0 H SER A 11 -19.736 14.679 7.454 1.00 0.00 H new ATOM 0 HA SER A 11 -20.359 13.128 9.709 1.00 0.00 H new ATOM 0 HB2 SER A 11 -20.843 11.377 7.701 1.00 0.00 H new ATOM 0 HB3 SER A 11 -21.861 12.777 7.975 1.00 0.00 H new ATOM 0 HG SER A 11 -21.130 12.643 5.761 1.00 0.00 H new ATOM 165 N GLN A 12 -18.078 11.565 7.870 1.00 0.00 N ATOM 166 CA GLN A 12 -16.955 10.575 7.983 1.00 0.00 C ATOM 167 C GLN A 12 -15.989 10.984 9.108 1.00 0.00 C ATOM 168 O GLN A 12 -15.508 10.142 9.864 1.00 0.00 O ATOM 169 CB GLN A 12 -16.201 10.502 6.652 1.00 0.00 C ATOM 170 CG GLN A 12 -16.571 9.200 5.929 1.00 0.00 C ATOM 171 CD GLN A 12 -15.378 8.701 5.114 1.00 0.00 C ATOM 172 OE1 GLN A 12 -14.747 9.464 4.394 1.00 0.00 O ATOM 173 NE2 GLN A 12 -15.031 7.454 5.188 1.00 0.00 N ATOM 0 H GLN A 12 -18.284 11.875 6.920 1.00 0.00 H new ATOM 0 HA GLN A 12 -17.370 9.596 8.221 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -16.454 11.361 6.030 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -15.126 10.541 6.827 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -16.869 8.443 6.654 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -17.426 9.368 5.274 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -15.553 6.814 5.786 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -14.236 7.113 4.648 1.00 0.00 H new ATOM 182 N VAL A 13 -15.709 12.257 9.248 1.00 0.00 N ATOM 183 CA VAL A 13 -14.792 12.707 10.345 1.00 0.00 C ATOM 184 C VAL A 13 -15.447 12.390 11.695 1.00 0.00 C ATOM 185 O VAL A 13 -14.818 11.830 12.593 1.00 0.00 O ATOM 186 CB VAL A 13 -14.543 14.217 10.227 1.00 0.00 C ATOM 187 CG1 VAL A 13 -13.742 14.709 11.434 1.00 0.00 C ATOM 188 CG2 VAL A 13 -13.746 14.509 8.957 1.00 0.00 C ATOM 0 H VAL A 13 -16.073 13.002 8.654 1.00 0.00 H new ATOM 0 HA VAL A 13 -13.837 12.187 10.267 1.00 0.00 H new ATOM 0 HB VAL A 13 -15.504 14.730 10.190 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.569 15.781 11.343 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.301 14.508 12.348 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.785 14.189 11.472 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.571 15.582 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -12.790 13.987 8.999 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -14.308 14.166 8.088 1.00 0.00 H new ATOM 198 N HIS A 14 -16.705 12.708 11.845 1.00 0.00 N ATOM 199 CA HIS A 14 -17.413 12.395 13.118 1.00 0.00 C ATOM 200 C HIS A 14 -17.464 10.867 13.285 1.00 0.00 C ATOM 201 O HIS A 14 -17.315 10.340 14.387 1.00 0.00 O ATOM 202 CB HIS A 14 -18.832 12.966 13.052 1.00 0.00 C ATOM 203 CG HIS A 14 -18.801 14.438 13.360 1.00 0.00 C ATOM 204 ND1 HIS A 14 -19.573 14.998 14.362 1.00 0.00 N ATOM 205 CD2 HIS A 14 -18.097 15.477 12.806 1.00 0.00 C ATOM 206 CE1 HIS A 14 -19.317 16.322 14.381 1.00 0.00 C ATOM 207 NE2 HIS A 14 -18.424 16.665 13.451 1.00 0.00 N ATOM 0 H HIS A 14 -17.274 13.173 11.137 1.00 0.00 H new ATOM 0 HA HIS A 14 -16.891 12.837 13.967 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -19.255 12.801 12.061 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -19.476 12.449 13.764 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -17.394 15.386 11.991 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -19.778 17.019 15.065 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -18.060 17.597 13.255 1.00 0.00 H new ATOM 215 N GLU A 15 -17.655 10.155 12.201 1.00 0.00 N ATOM 216 CA GLU A 15 -17.701 8.663 12.257 1.00 0.00 C ATOM 217 C GLU A 15 -16.338 8.122 12.713 1.00 0.00 C ATOM 218 O GLU A 15 -16.245 7.389 13.699 1.00 0.00 O ATOM 219 CB GLU A 15 -18.030 8.115 10.862 1.00 0.00 C ATOM 220 CG GLU A 15 -19.537 8.260 10.585 1.00 0.00 C ATOM 221 CD GLU A 15 -19.779 8.802 9.171 1.00 0.00 C ATOM 222 OE1 GLU A 15 -19.149 8.315 8.244 1.00 0.00 O ATOM 223 OE2 GLU A 15 -20.600 9.691 9.037 1.00 0.00 O ATOM 0 H GLU A 15 -17.782 10.550 11.269 1.00 0.00 H new ATOM 0 HA GLU A 15 -18.468 8.348 12.965 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -17.459 8.654 10.106 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -17.738 7.067 10.795 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -20.027 7.293 10.698 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -19.984 8.931 11.318 1.00 0.00 H new ATOM 230 N ILE A 16 -15.270 8.474 12.031 1.00 0.00 N ATOM 231 CA ILE A 16 -13.923 7.981 12.447 1.00 0.00 C ATOM 232 C ILE A 16 -13.563 8.573 13.817 1.00 0.00 C ATOM 233 O ILE A 16 -12.906 7.928 14.633 1.00 0.00 O ATOM 234 CB ILE A 16 -12.867 8.377 11.401 1.00 0.00 C ATOM 235 CG1 ILE A 16 -12.838 9.896 11.211 1.00 0.00 C ATOM 236 CG2 ILE A 16 -13.195 7.718 10.062 1.00 0.00 C ATOM 237 CD1 ILE A 16 -11.404 10.403 11.362 1.00 0.00 C ATOM 0 H ILE A 16 -15.277 9.078 11.209 1.00 0.00 H new ATOM 0 HA ILE A 16 -13.944 6.894 12.521 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.892 8.042 11.755 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -13.225 10.157 10.226 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.484 10.377 11.945 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -12.445 8.001 9.324 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -13.197 6.634 10.181 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -14.178 8.048 9.725 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.384 11.484 11.227 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -11.033 10.155 12.357 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -10.770 9.932 10.611 1.00 0.00 H new ATOM 249 N GLY A 17 -13.998 9.779 14.094 1.00 0.00 N ATOM 250 CA GLY A 17 -13.702 10.402 15.419 1.00 0.00 C ATOM 251 C GLY A 17 -14.402 9.591 16.514 1.00 0.00 C ATOM 252 O GLY A 17 -13.773 9.126 17.460 1.00 0.00 O ATOM 0 H GLY A 17 -14.546 10.358 13.458 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -12.626 10.423 15.594 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -14.048 11.436 15.436 1.00 0.00 H new ATOM 256 N ILE A 18 -15.689 9.394 16.390 1.00 0.00 N ATOM 257 CA ILE A 18 -16.433 8.591 17.414 1.00 0.00 C ATOM 258 C ILE A 18 -15.886 7.155 17.433 1.00 0.00 C ATOM 259 O ILE A 18 -15.594 6.600 18.492 1.00 0.00 O ATOM 260 CB ILE A 18 -17.930 8.576 17.058 1.00 0.00 C ATOM 261 CG1 ILE A 18 -18.532 9.966 17.296 1.00 0.00 C ATOM 262 CG2 ILE A 18 -18.670 7.554 17.926 1.00 0.00 C ATOM 263 CD1 ILE A 18 -18.339 10.378 18.758 1.00 0.00 C ATOM 0 H ILE A 18 -16.260 9.753 15.625 1.00 0.00 H new ATOM 0 HA ILE A 18 -16.301 9.037 18.400 1.00 0.00 H new ATOM 0 HB ILE A 18 -18.037 8.302 16.008 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -18.057 10.694 16.639 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -19.594 9.959 17.049 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -19.728 7.553 17.665 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -18.253 6.562 17.755 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -18.556 7.819 18.977 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -18.770 11.367 18.917 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -18.835 9.657 19.408 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -17.275 10.404 18.991 1.00 0.00 H new ATOM 275 N LYS A 19 -15.736 6.548 16.282 1.00 0.00 N ATOM 276 CA LYS A 19 -15.206 5.148 16.222 1.00 0.00 C ATOM 277 C LYS A 19 -13.811 5.071 16.866 1.00 0.00 C ATOM 278 O LYS A 19 -13.463 4.079 17.507 1.00 0.00 O ATOM 279 CB LYS A 19 -15.115 4.706 14.757 1.00 0.00 C ATOM 280 CG LYS A 19 -16.194 3.661 14.467 1.00 0.00 C ATOM 281 CD LYS A 19 -15.589 2.258 14.579 1.00 0.00 C ATOM 282 CE LYS A 19 -16.671 1.203 14.340 1.00 0.00 C ATOM 283 NZ LYS A 19 -17.201 1.345 12.950 1.00 0.00 N ATOM 0 H LYS A 19 -15.958 6.963 15.377 1.00 0.00 H new ATOM 0 HA LYS A 19 -15.881 4.491 16.770 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -15.241 5.566 14.099 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -14.128 4.291 14.553 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -17.019 3.770 15.171 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -16.604 3.813 13.469 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.786 2.140 13.851 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -15.147 2.121 15.566 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.259 0.204 14.484 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -17.478 1.323 15.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -17.696 0.472 12.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.863 2.146 12.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -16.413 1.516 12.294 1.00 0.00 H new ATOM 297 N ARG A 20 -13.003 6.086 16.705 1.00 0.00 N ATOM 298 CA ARG A 20 -11.632 6.058 17.305 1.00 0.00 C ATOM 299 C ARG A 20 -11.615 6.791 18.661 1.00 0.00 C ATOM 300 O ARG A 20 -10.554 7.178 19.151 1.00 0.00 O ATOM 301 CB ARG A 20 -10.652 6.739 16.342 1.00 0.00 C ATOM 302 CG ARG A 20 -10.598 5.960 15.024 1.00 0.00 C ATOM 303 CD ARG A 20 -9.765 6.740 14.005 1.00 0.00 C ATOM 304 NE ARG A 20 -8.308 6.505 14.269 1.00 0.00 N ATOM 305 CZ ARG A 20 -7.737 5.419 13.862 1.00 0.00 C ATOM 306 NH1 ARG A 20 -7.758 4.366 14.607 1.00 0.00 N ATOM 307 NH2 ARG A 20 -7.147 5.394 12.714 1.00 0.00 N ATOM 0 H ARG A 20 -13.231 6.933 16.185 1.00 0.00 H new ATOM 0 HA ARG A 20 -11.338 5.021 17.470 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -10.965 7.766 16.156 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -9.659 6.784 16.790 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.161 4.975 15.189 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -11.606 5.802 14.641 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -10.018 6.424 12.993 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.991 7.804 14.072 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.764 7.206 14.773 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.224 4.392 15.514 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -7.309 3.507 14.289 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.132 6.230 12.130 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -6.696 4.538 12.391 1.00 0.00 H new ATOM 321 N ASN A 21 -12.759 6.988 19.278 1.00 0.00 N ATOM 322 CA ASN A 21 -12.804 7.696 20.602 1.00 0.00 C ATOM 323 C ASN A 21 -12.132 9.080 20.486 1.00 0.00 C ATOM 324 O ASN A 21 -11.494 9.564 21.422 1.00 0.00 O ATOM 325 CB ASN A 21 -12.079 6.849 21.657 1.00 0.00 C ATOM 326 CG ASN A 21 -12.876 5.575 21.930 1.00 0.00 C ATOM 327 OD1 ASN A 21 -13.681 5.526 22.850 1.00 0.00 O ATOM 328 ND2 ASN A 21 -12.698 4.534 21.176 1.00 0.00 N ATOM 0 H ASN A 21 -13.666 6.688 18.921 1.00 0.00 H new ATOM 0 HA ASN A 21 -13.843 7.836 20.900 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -11.078 6.596 21.309 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -11.961 7.420 22.578 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -13.228 3.680 21.352 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -12.028 4.569 20.408 1.00 0.00 H new ATOM 335 N MET A 22 -12.269 9.726 19.358 1.00 0.00 N ATOM 336 CA MET A 22 -11.649 11.072 19.174 1.00 0.00 C ATOM 337 C MET A 22 -12.737 12.153 19.235 1.00 0.00 C ATOM 338 O MET A 22 -13.591 12.257 18.354 1.00 0.00 O ATOM 339 CB MET A 22 -10.941 11.117 17.816 1.00 0.00 C ATOM 340 CG MET A 22 -9.624 10.343 17.899 1.00 0.00 C ATOM 341 SD MET A 22 -8.653 10.644 16.401 1.00 0.00 S ATOM 342 CE MET A 22 -7.509 11.854 17.110 1.00 0.00 C ATOM 0 H MET A 22 -12.787 9.377 18.551 1.00 0.00 H new ATOM 0 HA MET A 22 -10.924 11.256 19.967 1.00 0.00 H new ATOM 0 HB2 MET A 22 -11.581 10.685 17.046 1.00 0.00 H new ATOM 0 HB3 MET A 22 -10.750 12.151 17.528 1.00 0.00 H new ATOM 0 HG2 MET A 22 -9.061 10.655 18.779 1.00 0.00 H new ATOM 0 HG3 MET A 22 -9.822 9.277 18.009 1.00 0.00 H new ATOM 0 HE1 MET A 22 -7.425 12.711 16.441 1.00 0.00 H new ATOM 0 HE2 MET A 22 -7.884 12.185 18.078 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.528 11.396 17.238 1.00 0.00 H new ATOM 352 N THR A 23 -12.722 12.955 20.264 1.00 0.00 N ATOM 353 CA THR A 23 -13.748 14.038 20.413 1.00 0.00 C ATOM 354 C THR A 23 -13.630 15.048 19.264 1.00 0.00 C ATOM 355 O THR A 23 -12.828 15.978 19.315 1.00 0.00 O ATOM 356 CB THR A 23 -13.525 14.763 21.745 1.00 0.00 C ATOM 357 OG1 THR A 23 -12.188 14.551 22.177 1.00 0.00 O ATOM 358 CG2 THR A 23 -14.483 14.212 22.799 1.00 0.00 C ATOM 0 H THR A 23 -12.037 12.909 21.018 1.00 0.00 H new ATOM 0 HA THR A 23 -14.741 13.590 20.390 1.00 0.00 H new ATOM 0 HB THR A 23 -13.707 15.829 21.609 1.00 0.00 H new ATOM 0 HG1 THR A 23 -12.042 15.015 23.028 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.321 14.730 23.744 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.511 14.366 22.472 1.00 0.00 H new ATOM 0 HG23 THR A 23 -14.301 13.146 22.934 1.00 0.00 H new ATOM 366 N VAL A 24 -14.416 14.884 18.230 1.00 0.00 N ATOM 367 CA VAL A 24 -14.360 15.834 17.073 1.00 0.00 C ATOM 368 C VAL A 24 -15.255 17.047 17.372 1.00 0.00 C ATOM 369 O VAL A 24 -16.485 16.948 17.383 1.00 0.00 O ATOM 370 CB VAL A 24 -14.852 15.122 15.803 1.00 0.00 C ATOM 371 CG1 VAL A 24 -14.938 16.118 14.646 1.00 0.00 C ATOM 372 CG2 VAL A 24 -13.870 14.013 15.424 1.00 0.00 C ATOM 0 H VAL A 24 -15.097 14.131 18.135 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.335 16.170 16.920 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.838 14.699 15.997 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -15.287 15.605 13.750 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.635 16.915 14.903 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.952 16.544 14.459 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -14.220 13.509 14.523 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.887 14.445 15.239 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.802 13.293 16.239 1.00 0.00 H new ATOM 382 N HIS A 25 -14.669 18.186 17.632 1.00 0.00 N ATOM 383 CA HIS A 25 -15.490 19.397 17.947 1.00 0.00 C ATOM 384 C HIS A 25 -15.036 20.589 17.087 1.00 0.00 C ATOM 385 O HIS A 25 -13.868 20.975 17.096 1.00 0.00 O ATOM 386 CB HIS A 25 -15.329 19.754 19.432 1.00 0.00 C ATOM 387 CG HIS A 25 -15.632 18.560 20.300 1.00 0.00 C ATOM 388 ND1 HIS A 25 -16.495 17.549 19.907 1.00 0.00 N ATOM 389 CD2 HIS A 25 -15.196 18.210 21.553 1.00 0.00 C ATOM 390 CE1 HIS A 25 -16.553 16.651 20.908 1.00 0.00 C ATOM 391 NE2 HIS A 25 -15.779 17.007 21.936 1.00 0.00 N ATOM 0 H HIS A 25 -13.660 18.332 17.640 1.00 0.00 H new ATOM 0 HA HIS A 25 -16.535 19.179 17.729 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -14.312 20.099 19.621 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -15.997 20.576 19.689 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -16.995 17.495 19.020 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -14.504 18.783 22.152 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -17.152 15.753 20.883 1.00 0.00 H new ATOM 399 N PHE A 26 -15.945 21.187 16.360 1.00 0.00 N ATOM 400 CA PHE A 26 -15.586 22.366 15.507 1.00 0.00 C ATOM 401 C PHE A 26 -16.270 23.621 16.067 1.00 0.00 C ATOM 402 O PHE A 26 -17.487 23.651 16.246 1.00 0.00 O ATOM 403 CB PHE A 26 -16.067 22.121 14.072 1.00 0.00 C ATOM 404 CG PHE A 26 -15.091 21.222 13.354 1.00 0.00 C ATOM 405 CD1 PHE A 26 -15.132 19.839 13.562 1.00 0.00 C ATOM 406 CD2 PHE A 26 -14.143 21.771 12.485 1.00 0.00 C ATOM 407 CE1 PHE A 26 -14.226 19.005 12.897 1.00 0.00 C ATOM 408 CE2 PHE A 26 -13.237 20.937 11.822 1.00 0.00 C ATOM 409 CZ PHE A 26 -13.278 19.554 12.029 1.00 0.00 C ATOM 0 H PHE A 26 -16.926 20.910 16.319 1.00 0.00 H new ATOM 0 HA PHE A 26 -14.505 22.505 15.509 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -17.057 21.664 14.083 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -16.160 23.069 13.543 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.862 19.415 14.235 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -14.110 22.839 12.326 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -14.259 17.937 13.055 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -12.505 21.361 11.150 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.577 18.911 11.518 1.00 0.00 H new ATOM 419 N LYS A 27 -15.521 24.652 16.355 1.00 0.00 N ATOM 420 CA LYS A 27 -16.142 25.894 16.913 1.00 0.00 C ATOM 421 C LYS A 27 -15.381 27.140 16.434 1.00 0.00 C ATOM 422 O LYS A 27 -14.225 27.360 16.794 1.00 0.00 O ATOM 423 CB LYS A 27 -16.091 25.830 18.441 1.00 0.00 C ATOM 424 CG LYS A 27 -17.461 25.420 18.990 1.00 0.00 C ATOM 425 CD LYS A 27 -17.633 25.974 20.409 1.00 0.00 C ATOM 426 CE LYS A 27 -16.530 25.426 21.320 1.00 0.00 C ATOM 427 NZ LYS A 27 -15.435 26.438 21.436 1.00 0.00 N ATOM 0 H LYS A 27 -14.509 24.690 16.229 1.00 0.00 H new ATOM 0 HA LYS A 27 -17.174 25.961 16.569 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -15.333 25.114 18.759 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -15.803 26.800 18.845 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -18.252 25.799 18.342 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -17.550 24.334 19.000 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -17.594 27.063 20.391 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -18.612 25.697 20.801 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -16.936 25.199 22.306 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -16.137 24.494 20.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -15.181 26.561 22.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -14.602 26.111 20.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -15.759 27.346 21.047 1.00 0.00 H new ATOM 441 N VAL A 28 -16.008 27.971 15.648 1.00 0.00 N ATOM 442 CA VAL A 28 -15.319 29.210 15.172 1.00 0.00 C ATOM 443 C VAL A 28 -15.347 30.271 16.282 1.00 0.00 C ATOM 444 O VAL A 28 -16.223 30.267 17.148 1.00 0.00 O ATOM 445 CB VAL A 28 -16.021 29.740 13.907 1.00 0.00 C ATOM 446 CG1 VAL A 28 -17.352 30.399 14.277 1.00 0.00 C ATOM 447 CG2 VAL A 28 -15.128 30.775 13.215 1.00 0.00 C ATOM 0 H VAL A 28 -16.964 27.849 15.314 1.00 0.00 H new ATOM 0 HA VAL A 28 -14.282 28.981 14.928 1.00 0.00 H new ATOM 0 HB VAL A 28 -16.207 28.902 13.235 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -17.838 30.769 13.374 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -17.998 29.667 14.763 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -17.170 31.230 14.958 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -15.628 31.147 12.321 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -14.937 31.604 13.896 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -14.182 30.311 12.935 1.00 0.00 H new ATOM 457 N LEU A 29 -14.416 31.185 16.265 1.00 0.00 N ATOM 458 CA LEU A 29 -14.394 32.263 17.308 1.00 0.00 C ATOM 459 C LEU A 29 -15.557 33.216 17.037 1.00 0.00 C ATOM 460 O LEU A 29 -16.148 33.795 17.950 1.00 0.00 O ATOM 461 CB LEU A 29 -13.076 33.048 17.227 1.00 0.00 C ATOM 462 CG LEU A 29 -11.911 32.093 16.980 1.00 0.00 C ATOM 463 CD1 LEU A 29 -10.780 32.845 16.283 1.00 0.00 C ATOM 464 CD2 LEU A 29 -11.405 31.547 18.313 1.00 0.00 C ATOM 0 H LEU A 29 -13.666 31.236 15.575 1.00 0.00 H new ATOM 0 HA LEU A 29 -14.482 31.817 18.299 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.130 33.783 16.424 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -12.914 33.599 18.153 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.247 31.267 16.352 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.947 32.165 16.105 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -11.137 33.238 15.331 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.448 33.669 16.914 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.573 30.865 18.135 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.069 32.373 18.941 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.211 31.013 18.817 1.00 0.00 H new ATOM 476 N ARG A 30 -15.878 33.386 15.782 1.00 0.00 N ATOM 477 CA ARG A 30 -16.994 34.298 15.387 1.00 0.00 C ATOM 478 C ARG A 30 -16.549 35.751 15.608 1.00 0.00 C ATOM 479 O ARG A 30 -17.097 36.487 16.429 1.00 0.00 O ATOM 480 CB ARG A 30 -18.246 33.974 16.217 1.00 0.00 C ATOM 481 CG ARG A 30 -19.500 34.448 15.474 1.00 0.00 C ATOM 482 CD ARG A 30 -20.382 35.269 16.420 1.00 0.00 C ATOM 483 NE ARG A 30 -19.607 36.448 16.915 1.00 0.00 N ATOM 484 CZ ARG A 30 -19.527 36.694 18.178 1.00 0.00 C ATOM 485 NH1 ARG A 30 -20.549 37.167 18.808 1.00 0.00 N ATOM 486 NH2 ARG A 30 -18.419 36.479 18.798 1.00 0.00 N ATOM 0 H ARG A 30 -15.408 32.926 15.002 1.00 0.00 H new ATOM 0 HA ARG A 30 -17.240 34.159 14.334 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -18.304 32.901 16.400 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -18.184 34.460 17.191 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -19.217 35.050 14.611 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -20.056 33.590 15.096 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -21.281 35.601 15.901 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -20.707 34.654 17.259 1.00 0.00 H new ATOM 0 HE ARG A 30 -19.138 37.062 16.249 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -21.419 37.346 18.307 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -20.487 37.362 19.807 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.612 36.116 18.290 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -18.348 36.671 19.797 1.00 0.00 H new ATOM 631 N PHE A 40 -14.403 32.691 9.247 1.00 0.00 N ATOM 632 CA PHE A 40 -13.172 33.172 9.973 1.00 0.00 C ATOM 633 C PHE A 40 -12.370 32.008 10.579 1.00 0.00 C ATOM 634 O PHE A 40 -12.501 30.855 10.170 1.00 0.00 O ATOM 635 CB PHE A 40 -13.541 34.176 11.071 1.00 0.00 C ATOM 636 CG PHE A 40 -14.480 35.224 10.534 1.00 0.00 C ATOM 637 CD1 PHE A 40 -14.395 35.643 9.200 1.00 0.00 C ATOM 638 CD2 PHE A 40 -15.437 35.773 11.379 1.00 0.00 C ATOM 639 CE1 PHE A 40 -15.274 36.617 8.718 1.00 0.00 C ATOM 640 CE2 PHE A 40 -16.314 36.745 10.903 1.00 0.00 C ATOM 641 CZ PHE A 40 -16.235 37.171 9.571 1.00 0.00 C ATOM 0 HA PHE A 40 -12.542 33.667 9.234 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -14.008 33.655 11.907 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -12.639 34.651 11.456 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -13.651 35.214 8.545 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -15.501 35.446 12.406 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -15.212 36.941 7.690 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -17.056 37.171 11.562 1.00 0.00 H new ATOM 0 HZ PHE A 40 -16.914 37.926 9.203 1.00 0.00 H new ATOM 651 N ILE A 41 -11.511 32.303 11.526 1.00 0.00 N ATOM 652 CA ILE A 41 -10.660 31.242 12.149 1.00 0.00 C ATOM 653 C ILE A 41 -11.518 30.234 12.925 1.00 0.00 C ATOM 654 O ILE A 41 -11.792 30.394 14.117 1.00 0.00 O ATOM 655 CB ILE A 41 -9.640 31.905 13.087 1.00 0.00 C ATOM 656 CG1 ILE A 41 -8.628 32.696 12.256 1.00 0.00 C ATOM 657 CG2 ILE A 41 -8.891 30.842 13.896 1.00 0.00 C ATOM 658 CD1 ILE A 41 -8.587 34.144 12.745 1.00 0.00 C ATOM 0 H ILE A 41 -11.363 33.242 11.896 1.00 0.00 H new ATOM 0 HA ILE A 41 -10.138 30.698 11.362 1.00 0.00 H new ATOM 0 HB ILE A 41 -10.171 32.569 13.769 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -7.640 32.244 12.341 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -8.903 32.665 11.202 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -8.172 31.327 14.556 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -9.602 30.270 14.492 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -8.365 30.171 13.217 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -7.866 34.708 12.153 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -9.575 34.592 12.637 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -8.291 34.166 13.794 1.00 0.00 H new ATOM 670 N THR A 42 -11.930 29.180 12.277 1.00 0.00 N ATOM 671 CA THR A 42 -12.745 28.145 12.984 1.00 0.00 C ATOM 672 C THR A 42 -11.804 27.292 13.839 1.00 0.00 C ATOM 673 O THR A 42 -10.878 26.661 13.328 1.00 0.00 O ATOM 674 CB THR A 42 -13.478 27.261 11.965 1.00 0.00 C ATOM 675 OG1 THR A 42 -14.730 27.845 11.651 1.00 0.00 O ATOM 676 CG2 THR A 42 -13.721 25.864 12.537 1.00 0.00 C ATOM 0 H THR A 42 -11.740 28.988 11.293 1.00 0.00 H new ATOM 0 HA THR A 42 -13.491 28.627 13.616 1.00 0.00 H new ATOM 0 HB THR A 42 -12.859 27.180 11.071 1.00 0.00 H new ATOM 0 HG1 THR A 42 -15.015 27.549 10.761 1.00 0.00 H new ATOM 0 HG21 THR A 42 -14.242 25.254 11.799 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.766 25.400 12.782 1.00 0.00 H new ATOM 0 HG23 THR A 42 -14.329 25.941 13.438 1.00 0.00 H new ATOM 684 N ALA A 43 -12.012 27.267 15.128 1.00 0.00 N ATOM 685 CA ALA A 43 -11.131 26.460 16.021 1.00 0.00 C ATOM 686 C ALA A 43 -11.756 25.074 16.229 1.00 0.00 C ATOM 687 O ALA A 43 -12.882 24.950 16.715 1.00 0.00 O ATOM 688 CB ALA A 43 -10.992 27.180 17.365 1.00 0.00 C ATOM 0 H ALA A 43 -12.759 27.774 15.603 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.145 26.343 15.570 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.349 26.597 18.025 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.552 28.165 17.207 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.975 27.291 17.822 1.00 0.00 H new ATOM 694 N CYS A 44 -11.063 24.028 15.868 1.00 0.00 N ATOM 695 CA CYS A 44 -11.644 22.665 16.045 1.00 0.00 C ATOM 696 C CYS A 44 -10.656 21.741 16.760 1.00 0.00 C ATOM 697 O CYS A 44 -9.438 21.918 16.698 1.00 0.00 O ATOM 698 CB CYS A 44 -11.999 22.080 14.673 1.00 0.00 C ATOM 699 SG CYS A 44 -10.491 21.767 13.725 1.00 0.00 S ATOM 0 H CYS A 44 -10.128 24.056 15.462 1.00 0.00 H new ATOM 0 HA CYS A 44 -12.543 22.746 16.656 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.559 21.153 14.798 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.643 22.771 14.129 1.00 0.00 H new ATOM 0 HG CYS A 44 -9.544 22.552 14.145 1.00 0.00 H new ATOM 705 N ILE A 45 -11.165 20.753 17.435 1.00 0.00 N ATOM 706 CA ILE A 45 -10.285 19.790 18.159 1.00 0.00 C ATOM 707 C ILE A 45 -10.767 18.357 17.890 1.00 0.00 C ATOM 708 O ILE A 45 -11.950 18.115 17.655 1.00 0.00 O ATOM 709 CB ILE A 45 -10.330 20.090 19.664 1.00 0.00 C ATOM 710 CG1 ILE A 45 -9.247 19.281 20.381 1.00 0.00 C ATOM 711 CG2 ILE A 45 -11.701 19.714 20.236 1.00 0.00 C ATOM 712 CD1 ILE A 45 -9.132 19.756 21.829 1.00 0.00 C ATOM 0 H ILE A 45 -12.164 20.567 17.519 1.00 0.00 H new ATOM 0 HA ILE A 45 -9.258 19.892 17.807 1.00 0.00 H new ATOM 0 HB ILE A 45 -10.157 21.155 19.816 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.493 18.219 20.354 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -8.291 19.400 19.871 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -11.722 19.931 21.304 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -12.476 20.292 19.733 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -11.882 18.651 20.078 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -8.361 19.180 22.341 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.866 20.813 21.845 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -10.087 19.614 22.335 1.00 0.00 H new ATOM 724 N VAL A 46 -9.875 17.405 17.917 1.00 0.00 N ATOM 725 CA VAL A 46 -10.274 15.985 17.668 1.00 0.00 C ATOM 726 C VAL A 46 -9.550 15.077 18.673 1.00 0.00 C ATOM 727 O VAL A 46 -8.413 14.652 18.455 1.00 0.00 O ATOM 728 CB VAL A 46 -9.908 15.590 16.229 1.00 0.00 C ATOM 729 CG1 VAL A 46 -10.172 14.099 16.016 1.00 0.00 C ATOM 730 CG2 VAL A 46 -10.768 16.385 15.247 1.00 0.00 C ATOM 0 H VAL A 46 -8.882 17.547 18.101 1.00 0.00 H new ATOM 0 HA VAL A 46 -11.351 15.874 17.796 1.00 0.00 H new ATOM 0 HB VAL A 46 -8.853 15.804 16.061 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.910 13.826 14.994 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -9.567 13.519 16.713 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -11.227 13.888 16.189 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.508 16.105 14.226 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -11.821 16.167 15.426 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.589 17.451 15.387 1.00 0.00 H new ATOM 740 N GLY A 47 -10.182 14.783 19.779 1.00 0.00 N ATOM 741 CA GLY A 47 -9.537 13.912 20.814 1.00 0.00 C ATOM 742 C GLY A 47 -8.404 14.675 21.504 1.00 0.00 C ATOM 743 O GLY A 47 -8.621 15.389 22.480 1.00 0.00 O ATOM 0 H GLY A 47 -11.120 15.108 20.013 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.277 13.598 21.550 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -9.147 13.007 20.348 1.00 0.00 H new ATOM 747 N SER A 48 -7.199 14.533 21.020 1.00 0.00 N ATOM 748 CA SER A 48 -6.039 15.248 21.650 1.00 0.00 C ATOM 749 C SER A 48 -5.349 16.175 20.631 1.00 0.00 C ATOM 750 O SER A 48 -4.288 16.732 20.905 1.00 0.00 O ATOM 751 CB SER A 48 -5.020 14.220 22.163 1.00 0.00 C ATOM 752 OG SER A 48 -5.576 12.911 22.071 1.00 0.00 O ATOM 0 H SER A 48 -6.963 13.953 20.215 1.00 0.00 H new ATOM 0 HA SER A 48 -6.414 15.850 22.477 1.00 0.00 H new ATOM 0 HB2 SER A 48 -4.102 14.279 21.577 1.00 0.00 H new ATOM 0 HB3 SER A 48 -4.753 14.441 23.196 1.00 0.00 H new ATOM 0 HG SER A 48 -4.925 12.255 22.397 1.00 0.00 H new ATOM 758 N ILE A 49 -5.922 16.354 19.465 1.00 0.00 N ATOM 759 CA ILE A 49 -5.286 17.247 18.442 1.00 0.00 C ATOM 760 C ILE A 49 -6.161 18.490 18.222 1.00 0.00 C ATOM 761 O ILE A 49 -7.383 18.398 18.127 1.00 0.00 O ATOM 762 CB ILE A 49 -5.139 16.475 17.122 1.00 0.00 C ATOM 763 CG1 ILE A 49 -4.112 15.355 17.294 1.00 0.00 C ATOM 764 CG2 ILE A 49 -4.661 17.419 16.016 1.00 0.00 C ATOM 765 CD1 ILE A 49 -4.713 14.034 16.814 1.00 0.00 C ATOM 0 H ILE A 49 -6.800 15.922 19.177 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.303 17.563 18.792 1.00 0.00 H new ATOM 0 HB ILE A 49 -6.107 16.053 16.851 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.210 15.584 16.726 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.818 15.274 18.341 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.559 16.864 15.083 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.387 18.221 15.884 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.696 17.844 16.292 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.981 13.236 16.936 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.602 13.804 17.401 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.985 14.119 15.762 1.00 0.00 H new ATOM 777 N VAL A 50 -5.561 19.650 18.132 1.00 0.00 N ATOM 778 CA VAL A 50 -6.365 20.897 17.910 1.00 0.00 C ATOM 779 C VAL A 50 -5.948 21.550 16.586 1.00 0.00 C ATOM 780 O VAL A 50 -4.790 21.486 16.175 1.00 0.00 O ATOM 781 CB VAL A 50 -6.137 21.900 19.052 1.00 0.00 C ATOM 782 CG1 VAL A 50 -7.413 22.709 19.279 1.00 0.00 C ATOM 783 CG2 VAL A 50 -5.784 21.162 20.346 1.00 0.00 C ATOM 0 H VAL A 50 -4.553 19.790 18.202 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.420 20.624 17.879 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.315 22.561 18.778 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.253 23.421 20.089 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.669 23.248 18.367 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -8.228 22.036 19.544 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -5.625 21.885 21.146 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -6.601 20.494 20.618 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.874 20.581 20.197 1.00 0.00 H new ATOM 793 N THR A 51 -6.870 22.177 15.915 1.00 0.00 N ATOM 794 CA THR A 51 -6.541 22.841 14.615 1.00 0.00 C ATOM 795 C THR A 51 -7.517 23.998 14.373 1.00 0.00 C ATOM 796 O THR A 51 -8.733 23.827 14.429 1.00 0.00 O ATOM 797 CB THR A 51 -6.666 21.825 13.473 1.00 0.00 C ATOM 798 OG1 THR A 51 -5.974 20.631 13.813 1.00 0.00 O ATOM 799 CG2 THR A 51 -6.059 22.398 12.196 1.00 0.00 C ATOM 0 H THR A 51 -7.843 22.261 16.208 1.00 0.00 H new ATOM 0 HA THR A 51 -5.521 23.223 14.652 1.00 0.00 H new ATOM 0 HB THR A 51 -7.722 21.609 13.313 1.00 0.00 H new ATOM 0 HG1 THR A 51 -5.507 20.288 13.023 1.00 0.00 H new ATOM 0 HG21 THR A 51 -6.152 21.670 11.390 1.00 0.00 H new ATOM 0 HG22 THR A 51 -6.585 23.312 11.921 1.00 0.00 H new ATOM 0 HG23 THR A 51 -5.005 22.622 12.363 1.00 0.00 H new ATOM 807 N GLU A 52 -7.016 25.170 14.106 1.00 0.00 N ATOM 808 CA GLU A 52 -7.925 26.330 13.860 1.00 0.00 C ATOM 809 C GLU A 52 -7.578 26.989 12.517 1.00 0.00 C ATOM 810 O GLU A 52 -6.568 26.672 11.889 1.00 0.00 O ATOM 811 CB GLU A 52 -7.776 27.348 14.999 1.00 0.00 C ATOM 812 CG GLU A 52 -6.323 27.835 15.082 1.00 0.00 C ATOM 813 CD GLU A 52 -6.226 29.010 16.053 1.00 0.00 C ATOM 814 OE1 GLU A 52 -6.112 28.760 17.243 1.00 0.00 O ATOM 815 OE2 GLU A 52 -6.266 30.138 15.589 1.00 0.00 O ATOM 0 H GLU A 52 -6.019 25.378 14.047 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.957 25.980 13.824 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.443 28.194 14.831 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.070 26.893 15.945 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.676 27.023 15.414 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.974 28.138 14.095 1.00 0.00 H new ATOM 822 N GLY A 53 -8.402 27.893 12.057 1.00 0.00 N ATOM 823 CA GLY A 53 -8.121 28.573 10.751 1.00 0.00 C ATOM 824 C GLY A 53 -9.329 28.451 9.823 1.00 0.00 C ATOM 825 O GLY A 53 -10.108 29.387 9.683 1.00 0.00 O ATOM 0 H GLY A 53 -9.257 28.192 12.526 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -7.889 29.624 10.922 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -7.245 28.126 10.281 1.00 0.00 H new ATOM 829 N GLU A 54 -9.496 27.316 9.191 1.00 0.00 N ATOM 830 CA GLU A 54 -10.658 27.115 8.264 1.00 0.00 C ATOM 831 C GLU A 54 -10.541 28.062 7.053 1.00 0.00 C ATOM 832 O GLU A 54 -10.025 27.678 6.003 1.00 0.00 O ATOM 833 CB GLU A 54 -11.966 27.359 9.033 1.00 0.00 C ATOM 834 CG GLU A 54 -13.170 27.278 8.085 1.00 0.00 C ATOM 835 CD GLU A 54 -14.111 26.160 8.529 1.00 0.00 C ATOM 836 OE1 GLU A 54 -14.819 26.354 9.497 1.00 0.00 O ATOM 837 OE2 GLU A 54 -14.115 25.126 7.888 1.00 0.00 O ATOM 0 H GLU A 54 -8.874 26.513 9.277 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.657 26.092 7.888 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -12.071 26.620 9.827 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.937 28.338 9.510 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -13.701 28.230 8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -12.829 27.094 7.066 1.00 0.00 H new ATOM 844 N GLY A 55 -11.002 29.281 7.172 1.00 0.00 N ATOM 845 CA GLY A 55 -10.905 30.235 6.017 1.00 0.00 C ATOM 846 C GLY A 55 -11.822 31.447 6.233 1.00 0.00 C ATOM 847 O GLY A 55 -12.453 31.602 7.277 1.00 0.00 O ATOM 0 H GLY A 55 -11.440 29.659 8.012 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -9.874 30.569 5.901 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -11.180 29.725 5.094 1.00 0.00 H new ATOM 943 N LYS A 62 -17.009 25.206 8.308 1.00 0.00 N ATOM 944 CA LYS A 62 -17.529 23.843 8.667 1.00 0.00 C ATOM 945 C LYS A 62 -17.187 22.885 7.524 1.00 0.00 C ATOM 946 O LYS A 62 -18.008 22.095 7.058 1.00 0.00 O ATOM 947 CB LYS A 62 -19.047 23.883 8.910 1.00 0.00 C ATOM 948 CG LYS A 62 -19.405 22.869 10.008 1.00 0.00 C ATOM 949 CD LYS A 62 -20.912 22.914 10.291 1.00 0.00 C ATOM 950 CE LYS A 62 -21.200 22.287 11.660 1.00 0.00 C ATOM 951 NZ LYS A 62 -21.746 20.910 11.468 1.00 0.00 N ATOM 0 HA LYS A 62 -17.063 23.500 9.591 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -19.354 24.885 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -19.582 23.646 7.990 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -19.115 21.866 9.697 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -18.849 23.094 10.918 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -21.265 23.945 10.271 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -21.454 22.377 9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -20.287 22.249 12.254 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -21.914 22.900 12.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -21.942 20.482 12.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -22.626 20.959 10.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -21.050 20.329 10.959 1.00 0.00 H new ATOM 965 N LYS A 63 -15.974 22.973 7.060 1.00 0.00 N ATOM 966 CA LYS A 63 -15.504 22.122 5.931 1.00 0.00 C ATOM 967 C LYS A 63 -14.017 22.405 5.714 1.00 0.00 C ATOM 968 O LYS A 63 -13.191 21.502 5.617 1.00 0.00 O ATOM 969 CB LYS A 63 -16.283 22.509 4.669 1.00 0.00 C ATOM 970 CG LYS A 63 -16.382 21.307 3.733 1.00 0.00 C ATOM 971 CD LYS A 63 -17.230 21.691 2.518 1.00 0.00 C ATOM 972 CE LYS A 63 -18.692 21.864 2.946 1.00 0.00 C ATOM 973 NZ LYS A 63 -19.550 20.909 2.187 1.00 0.00 N ATOM 0 H LYS A 63 -15.270 23.615 7.425 1.00 0.00 H new ATOM 0 HA LYS A 63 -15.660 21.065 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -17.281 22.855 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -15.785 23.336 4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -15.387 20.995 3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -16.831 20.461 4.253 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -16.857 22.616 2.079 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -17.154 20.921 1.750 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -18.792 21.687 4.017 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -19.017 22.888 2.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -20.542 21.027 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -19.463 21.098 1.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -19.245 19.935 2.385 1.00 0.00 H new ATOM 987 N ARG A 64 -13.677 23.662 5.666 1.00 0.00 N ATOM 988 CA ARG A 64 -12.260 24.077 5.482 1.00 0.00 C ATOM 989 C ARG A 64 -11.403 23.548 6.639 1.00 0.00 C ATOM 990 O ARG A 64 -10.431 22.822 6.433 1.00 0.00 O ATOM 991 CB ARG A 64 -12.208 25.606 5.466 1.00 0.00 C ATOM 992 CG ARG A 64 -11.732 26.086 4.090 1.00 0.00 C ATOM 993 CD ARG A 64 -10.382 25.441 3.745 1.00 0.00 C ATOM 994 NE ARG A 64 -10.427 24.900 2.345 1.00 0.00 N ATOM 995 CZ ARG A 64 -10.653 23.640 2.131 1.00 0.00 C ATOM 996 NH1 ARG A 64 -9.689 22.784 2.202 1.00 0.00 N ATOM 997 NH2 ARG A 64 -11.844 23.242 1.850 1.00 0.00 N ATOM 0 H ARG A 64 -14.337 24.435 5.748 1.00 0.00 H new ATOM 0 HA ARG A 64 -11.872 23.672 4.547 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.194 26.016 5.685 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -11.533 25.966 6.242 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -12.471 25.830 3.331 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -11.636 27.172 4.088 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -9.582 26.176 3.836 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -10.160 24.639 4.449 1.00 0.00 H new ATOM 0 HE ARG A 64 -10.279 25.528 1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.745 23.097 2.427 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -9.872 21.795 2.033 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -12.608 23.916 1.796 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -12.025 22.252 1.681 1.00 0.00 H new ATOM 1011 N ALA A 65 -11.749 23.897 7.850 1.00 0.00 N ATOM 1012 CA ALA A 65 -10.967 23.415 9.025 1.00 0.00 C ATOM 1013 C ALA A 65 -11.009 21.875 9.061 1.00 0.00 C ATOM 1014 O ALA A 65 -10.006 21.216 9.330 1.00 0.00 O ATOM 1015 CB ALA A 65 -11.580 23.993 10.309 1.00 0.00 C ATOM 0 H ALA A 65 -12.542 24.497 8.076 1.00 0.00 H new ATOM 0 HA ALA A 65 -9.930 23.742 8.947 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -11.013 23.644 11.172 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.548 25.082 10.269 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -12.615 23.664 10.398 1.00 0.00 H new ATOM 1021 N ALA A 66 -12.153 21.294 8.775 1.00 0.00 N ATOM 1022 CA ALA A 66 -12.275 19.800 8.772 1.00 0.00 C ATOM 1023 C ALA A 66 -11.292 19.205 7.753 1.00 0.00 C ATOM 1024 O ALA A 66 -10.501 18.321 8.080 1.00 0.00 O ATOM 1025 CB ALA A 66 -13.709 19.407 8.399 1.00 0.00 C ATOM 0 H ALA A 66 -13.011 21.794 8.543 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.040 19.413 9.764 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -13.800 18.321 8.396 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -14.403 19.827 9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.946 19.793 7.408 1.00 0.00 H new ATOM 1031 N GLU A 67 -11.317 19.683 6.532 1.00 0.00 N ATOM 1032 CA GLU A 67 -10.373 19.162 5.493 1.00 0.00 C ATOM 1033 C GLU A 67 -8.935 19.319 5.998 1.00 0.00 C ATOM 1034 O GLU A 67 -8.098 18.426 5.852 1.00 0.00 O ATOM 1035 CB GLU A 67 -10.549 19.965 4.200 1.00 0.00 C ATOM 1036 CG GLU A 67 -11.107 19.053 3.098 1.00 0.00 C ATOM 1037 CD GLU A 67 -11.849 19.886 2.053 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -11.204 20.681 1.387 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -13.050 19.722 1.934 1.00 0.00 O ATOM 0 H GLU A 67 -11.952 20.413 6.209 1.00 0.00 H new ATOM 0 HA GLU A 67 -10.582 18.110 5.299 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -11.225 20.803 4.370 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -9.593 20.385 3.888 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -10.294 18.502 2.625 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.782 18.315 3.532 1.00 0.00 H new ATOM 1046 N LYS A 68 -8.642 20.439 6.604 1.00 0.00 N ATOM 1047 CA LYS A 68 -7.270 20.675 7.144 1.00 0.00 C ATOM 1048 C LYS A 68 -6.994 19.676 8.282 1.00 0.00 C ATOM 1049 O LYS A 68 -5.905 19.104 8.381 1.00 0.00 O ATOM 1050 CB LYS A 68 -7.185 22.123 7.658 1.00 0.00 C ATOM 1051 CG LYS A 68 -6.024 22.277 8.648 1.00 0.00 C ATOM 1052 CD LYS A 68 -4.692 22.041 7.931 1.00 0.00 C ATOM 1053 CE LYS A 68 -3.778 21.200 8.823 1.00 0.00 C ATOM 1054 NZ LYS A 68 -2.413 21.797 8.822 1.00 0.00 N ATOM 0 H LYS A 68 -9.299 21.206 6.749 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.521 20.529 6.365 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -7.047 22.805 6.819 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -8.122 22.398 8.142 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -6.039 23.275 9.087 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.137 21.567 9.467 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -4.862 21.532 6.982 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -4.217 22.994 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.172 21.165 9.839 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -3.740 20.173 8.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -1.837 21.349 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -1.967 21.642 7.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.481 22.818 9.007 1.00 0.00 H new ATOM 1068 N MET A 69 -7.956 19.450 9.135 1.00 0.00 N ATOM 1069 CA MET A 69 -7.757 18.487 10.257 1.00 0.00 C ATOM 1070 C MET A 69 -7.575 17.072 9.697 1.00 0.00 C ATOM 1071 O MET A 69 -6.625 16.373 10.042 1.00 0.00 O ATOM 1072 CB MET A 69 -8.976 18.523 11.181 1.00 0.00 C ATOM 1073 CG MET A 69 -8.598 19.204 12.494 1.00 0.00 C ATOM 1074 SD MET A 69 -8.421 17.955 13.788 1.00 0.00 S ATOM 1075 CE MET A 69 -8.418 19.096 15.191 1.00 0.00 C ATOM 0 H MET A 69 -8.875 19.892 9.103 1.00 0.00 H new ATOM 0 HA MET A 69 -6.867 18.766 10.821 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.794 19.061 10.702 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.331 17.510 11.373 1.00 0.00 H new ATOM 0 HG2 MET A 69 -7.665 19.755 12.375 1.00 0.00 H new ATOM 0 HG3 MET A 69 -9.363 19.928 12.774 1.00 0.00 H new ATOM 0 HE1 MET A 69 -7.590 18.852 15.856 1.00 0.00 H new ATOM 0 HE2 MET A 69 -8.304 20.118 14.829 1.00 0.00 H new ATOM 0 HE3 MET A 69 -9.359 19.007 15.735 1.00 0.00 H new ATOM 1085 N LEU A 70 -8.464 16.638 8.837 1.00 0.00 N ATOM 1086 CA LEU A 70 -8.345 15.268 8.249 1.00 0.00 C ATOM 1087 C LEU A 70 -6.931 15.056 7.667 1.00 0.00 C ATOM 1088 O LEU A 70 -6.289 14.042 7.930 1.00 0.00 O ATOM 1089 CB LEU A 70 -9.402 15.100 7.145 1.00 0.00 C ATOM 1090 CG LEU A 70 -10.776 14.799 7.765 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -11.737 14.334 6.672 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -10.651 13.693 8.814 1.00 0.00 C ATOM 0 H LEU A 70 -9.269 17.176 8.516 1.00 0.00 H new ATOM 0 HA LEU A 70 -8.510 14.524 9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.457 16.007 6.544 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.112 14.291 6.475 1.00 0.00 H new ATOM 0 HG LEU A 70 -11.154 15.706 8.237 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -12.712 14.120 7.111 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -11.841 15.118 5.922 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -11.345 13.432 6.203 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -11.631 13.489 9.246 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -10.266 12.788 8.344 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -9.967 14.013 9.600 1.00 0.00 H new ATOM 1104 N VAL A 71 -6.431 15.991 6.892 1.00 0.00 N ATOM 1105 CA VAL A 71 -5.054 15.837 6.303 1.00 0.00 C ATOM 1106 C VAL A 71 -3.977 15.946 7.403 1.00 0.00 C ATOM 1107 O VAL A 71 -2.828 15.525 7.214 1.00 0.00 O ATOM 1108 CB VAL A 71 -4.836 16.922 5.233 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -4.626 18.288 5.890 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -3.603 16.583 4.391 1.00 0.00 C ATOM 0 H VAL A 71 -6.913 16.854 6.640 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.970 14.852 5.844 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.721 16.959 4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -4.473 19.043 5.119 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -5.504 18.546 6.482 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.750 18.249 6.538 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -3.455 17.355 3.636 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.725 16.532 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -3.750 15.620 3.902 1.00 0.00 H new ATOM 1120 N GLU A 72 -4.307 16.497 8.543 1.00 0.00 N ATOM 1121 CA GLU A 72 -3.293 16.613 9.631 1.00 0.00 C ATOM 1122 C GLU A 72 -3.352 15.376 10.544 1.00 0.00 C ATOM 1123 O GLU A 72 -2.350 14.687 10.739 1.00 0.00 O ATOM 1124 CB GLU A 72 -3.558 17.879 10.448 1.00 0.00 C ATOM 1125 CG GLU A 72 -2.252 18.314 11.128 1.00 0.00 C ATOM 1126 CD GLU A 72 -1.378 19.088 10.138 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -0.884 18.477 9.193 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -1.224 20.282 10.330 1.00 0.00 O ATOM 0 H GLU A 72 -5.230 16.869 8.766 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.299 16.673 9.187 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.929 18.674 9.801 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.328 17.691 11.196 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.474 18.937 11.994 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.714 17.439 11.494 1.00 0.00 H new ATOM 1135 N LEU A 73 -4.498 15.078 11.106 1.00 0.00 N ATOM 1136 CA LEU A 73 -4.609 13.886 12.011 1.00 0.00 C ATOM 1137 C LEU A 73 -4.374 12.580 11.236 1.00 0.00 C ATOM 1138 O LEU A 73 -3.927 11.591 11.804 1.00 0.00 O ATOM 1139 CB LEU A 73 -5.985 13.862 12.681 1.00 0.00 C ATOM 1140 CG LEU A 73 -7.090 13.744 11.634 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -7.692 12.343 11.685 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -8.170 14.765 11.956 1.00 0.00 C ATOM 0 H LEU A 73 -5.361 15.606 10.979 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.839 13.968 12.778 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -6.043 13.024 13.375 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.127 14.771 13.266 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.683 13.925 10.639 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.481 12.259 10.938 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -6.916 11.606 11.478 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -8.110 12.162 12.675 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -8.969 14.695 11.217 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -8.575 14.566 12.948 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -7.742 15.767 11.933 1.00 0.00 H new ATOM 1154 N GLN A 74 -4.640 12.552 9.955 1.00 0.00 N ATOM 1155 CA GLN A 74 -4.394 11.295 9.175 1.00 0.00 C ATOM 1156 C GLN A 74 -2.886 11.151 8.875 1.00 0.00 C ATOM 1157 O GLN A 74 -2.469 10.279 8.114 1.00 0.00 O ATOM 1158 CB GLN A 74 -5.190 11.343 7.868 1.00 0.00 C ATOM 1159 CG GLN A 74 -6.666 11.033 8.164 1.00 0.00 C ATOM 1160 CD GLN A 74 -7.457 10.913 6.861 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -7.998 9.859 6.556 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -7.564 11.939 6.076 1.00 0.00 N ATOM 0 H GLN A 74 -5.013 13.335 9.417 1.00 0.00 H new ATOM 0 HA GLN A 74 -4.718 10.434 9.760 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.098 12.327 7.408 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -4.789 10.620 7.157 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -6.743 10.105 8.730 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.092 11.821 8.785 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -7.115 12.821 6.325 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -8.097 11.865 5.210 1.00 0.00 H new ATOM 1171 N LYS A 75 -2.066 11.988 9.467 1.00 0.00 N ATOM 1172 CA LYS A 75 -0.593 11.908 9.242 1.00 0.00 C ATOM 1173 C LYS A 75 0.110 11.348 10.498 1.00 0.00 C ATOM 1174 O LYS A 75 1.305 11.054 10.465 1.00 0.00 O ATOM 1175 CB LYS A 75 -0.060 13.315 8.948 1.00 0.00 C ATOM 1176 CG LYS A 75 0.871 13.275 7.732 1.00 0.00 C ATOM 1177 CD LYS A 75 0.594 14.480 6.825 1.00 0.00 C ATOM 1178 CE LYS A 75 0.671 15.782 7.630 1.00 0.00 C ATOM 1179 NZ LYS A 75 -0.527 16.618 7.332 1.00 0.00 N ATOM 0 H LYS A 75 -2.361 12.729 10.102 1.00 0.00 H new ATOM 0 HA LYS A 75 -0.392 11.245 8.401 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.890 13.996 8.760 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.477 13.699 9.816 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.911 13.285 8.058 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.720 12.349 7.178 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.318 14.505 6.011 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -0.392 14.383 6.371 1.00 0.00 H new ATOM 0 HE2 LYS A 75 0.718 15.561 8.696 1.00 0.00 H new ATOM 0 HE3 LYS A 75 1.581 16.326 7.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.662 17.314 8.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.388 17.114 6.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -1.368 16.009 7.267 1.00 0.00 H new ATOM 1193 N LEU A 76 -0.596 11.212 11.599 1.00 0.00 N ATOM 1194 CA LEU A 76 0.033 10.686 12.846 1.00 0.00 C ATOM 1195 C LEU A 76 -0.253 9.178 12.992 1.00 0.00 C ATOM 1196 O LEU A 76 0.695 8.434 13.195 1.00 0.00 O ATOM 1197 CB LEU A 76 -0.552 11.446 14.040 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.227 12.940 13.915 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -1.397 13.768 14.441 1.00 0.00 C ATOM 1200 CD2 LEU A 76 1.020 13.267 14.733 1.00 0.00 C ATOM 1201 OXT LEU A 76 -1.412 8.789 12.899 1.00 0.00 O ATOM 0 H LEU A 76 -1.585 11.445 11.683 1.00 0.00 H new ATOM 0 HA LEU A 76 1.113 10.827 12.804 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.632 11.302 14.081 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.142 11.052 14.970 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.051 13.177 12.866 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.162 14.829 14.350 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.292 13.544 13.860 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.574 13.524 15.488 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.247 14.329 14.641 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.842 13.023 15.780 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.862 12.683 14.362 1.00 0.00 H new