USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 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 -42:sc= -2.03 USER MOD Set 1.2: A 69 MET CE :methyl -167:sc= -11! (180deg=-11.1!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.145 USER MOD Single : A 12 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 14 HIS : no HD1:sc= -0.639 K(o=-0.64,f=-1.9) USER MOD Single : A 19 LYS NZ :NH3+ 172:sc= 0.777 (180deg=0.537!) USER MOD Single : A 21 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 22 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 25 HIS : no HE2:sc= -1.8 K(o=-1.8,f=-2.4!) 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 48 SER OG : rot -47:sc= 0.319 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.399 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+ 149:sc= -0.723! (180deg=-3.64!) USER MOD Single : A 74 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 121 N PRO A 9 -14.398 14.801 1.739 1.00 0.00 N ATOM 122 CA PRO A 9 -15.526 13.923 2.118 1.00 0.00 C ATOM 123 C PRO A 9 -15.619 13.772 3.649 1.00 0.00 C ATOM 124 O PRO A 9 -14.910 12.968 4.260 1.00 0.00 O ATOM 125 CB PRO A 9 -15.180 12.589 1.448 1.00 0.00 C ATOM 126 CG PRO A 9 -13.650 12.599 1.215 1.00 0.00 C ATOM 127 CD PRO A 9 -13.211 14.075 1.232 1.00 0.00 C ATOM 0 HA PRO A 9 -16.494 14.314 1.805 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -15.471 11.750 2.080 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -15.715 12.478 0.505 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -13.136 12.033 1.992 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -13.400 12.132 0.263 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -12.346 14.226 1.878 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -12.929 14.418 0.237 1.00 0.00 H new ATOM 135 N ILE A 10 -16.483 14.530 4.278 1.00 0.00 N ATOM 136 CA ILE A 10 -16.635 14.447 5.771 1.00 0.00 C ATOM 137 C ILE A 10 -16.898 12.994 6.202 1.00 0.00 C ATOM 138 O ILE A 10 -16.218 12.461 7.077 1.00 0.00 O ATOM 139 CB ILE A 10 -17.806 15.339 6.209 1.00 0.00 C ATOM 140 CG1 ILE A 10 -17.489 16.801 5.877 1.00 0.00 C ATOM 141 CG2 ILE A 10 -18.024 15.208 7.719 1.00 0.00 C ATOM 142 CD1 ILE A 10 -18.754 17.646 6.036 1.00 0.00 C ATOM 0 H ILE A 10 -17.094 15.207 3.822 1.00 0.00 H new ATOM 0 HA ILE A 10 -15.714 14.788 6.244 1.00 0.00 H new ATOM 0 HB ILE A 10 -18.707 15.026 5.681 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -16.705 17.173 6.537 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -17.112 16.880 4.857 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -18.856 15.843 8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -18.251 14.171 7.965 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -17.121 15.517 8.245 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -18.529 18.686 5.800 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -19.525 17.279 5.358 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -19.111 17.576 7.063 1.00 0.00 H new ATOM 154 N SER A 11 -17.864 12.339 5.608 1.00 0.00 N ATOM 155 CA SER A 11 -18.158 10.917 5.990 1.00 0.00 C ATOM 156 C SER A 11 -16.880 10.072 5.889 1.00 0.00 C ATOM 157 O SER A 11 -16.618 9.227 6.737 1.00 0.00 O ATOM 158 CB SER A 11 -19.230 10.338 5.060 1.00 0.00 C ATOM 159 OG SER A 11 -19.500 11.266 4.011 1.00 0.00 O ATOM 0 H SER A 11 -18.462 12.723 4.877 1.00 0.00 H new ATOM 0 HA SER A 11 -18.522 10.896 7.017 1.00 0.00 H new ATOM 0 HB2 SER A 11 -18.891 9.390 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 11 -20.141 10.132 5.621 1.00 0.00 H new ATOM 0 HG SER A 11 -20.184 10.896 3.415 1.00 0.00 H new ATOM 165 N GLN A 12 -16.079 10.299 4.879 1.00 0.00 N ATOM 166 CA GLN A 12 -14.811 9.521 4.728 1.00 0.00 C ATOM 167 C GLN A 12 -13.867 9.832 5.901 1.00 0.00 C ATOM 168 O GLN A 12 -13.356 8.931 6.560 1.00 0.00 O ATOM 169 CB GLN A 12 -14.141 9.888 3.401 1.00 0.00 C ATOM 170 CG GLN A 12 -14.879 9.196 2.248 1.00 0.00 C ATOM 171 CD GLN A 12 -13.869 8.690 1.218 1.00 0.00 C ATOM 172 OE1 GLN A 12 -13.478 9.418 0.317 1.00 0.00 O ATOM 173 NE2 GLN A 12 -13.422 7.476 1.304 1.00 0.00 N ATOM 0 H GLN A 12 -16.249 10.992 4.150 1.00 0.00 H new ATOM 0 HA GLN A 12 -15.037 8.455 4.731 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -14.156 10.969 3.260 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -13.095 9.583 3.413 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -15.471 8.364 2.630 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -15.574 9.892 1.778 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -13.746 6.865 2.054 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -12.747 7.132 0.622 1.00 0.00 H new ATOM 182 N VAL A 13 -13.633 11.089 6.196 1.00 0.00 N ATOM 183 CA VAL A 13 -12.737 11.419 7.351 1.00 0.00 C ATOM 184 C VAL A 13 -13.335 10.805 8.624 1.00 0.00 C ATOM 185 O VAL A 13 -12.623 10.269 9.473 1.00 0.00 O ATOM 186 CB VAL A 13 -12.597 12.948 7.497 1.00 0.00 C ATOM 187 CG1 VAL A 13 -13.658 13.517 8.443 1.00 0.00 C ATOM 188 CG2 VAL A 13 -11.215 13.278 8.061 1.00 0.00 C ATOM 0 H VAL A 13 -14.017 11.890 5.695 1.00 0.00 H new ATOM 0 HA VAL A 13 -11.742 11.007 7.181 1.00 0.00 H new ATOM 0 HB VAL A 13 -12.730 13.394 6.511 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -13.532 14.597 8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -14.651 13.296 8.051 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -13.548 13.064 9.428 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -11.113 14.358 8.165 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.098 12.807 9.037 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.447 12.905 7.384 1.00 0.00 H new ATOM 198 N HIS A 14 -14.635 10.861 8.752 1.00 0.00 N ATOM 199 CA HIS A 14 -15.311 10.272 9.944 1.00 0.00 C ATOM 200 C HIS A 14 -15.076 8.755 9.964 1.00 0.00 C ATOM 201 O HIS A 14 -14.617 8.196 10.961 1.00 0.00 O ATOM 202 CB HIS A 14 -16.815 10.557 9.856 1.00 0.00 C ATOM 203 CG HIS A 14 -17.112 11.915 10.425 1.00 0.00 C ATOM 204 ND1 HIS A 14 -17.935 12.086 11.520 1.00 0.00 N ATOM 205 CD2 HIS A 14 -16.713 13.174 10.057 1.00 0.00 C ATOM 206 CE1 HIS A 14 -18.008 13.405 11.775 1.00 0.00 C ATOM 207 NE2 HIS A 14 -17.280 14.114 10.912 1.00 0.00 N ATOM 0 H HIS A 14 -15.262 11.294 8.074 1.00 0.00 H new ATOM 0 HA HIS A 14 -14.906 10.712 10.855 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -17.143 10.508 8.818 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -17.371 9.795 10.402 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -16.058 13.402 9.229 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -18.585 13.836 12.580 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -17.164 15.127 10.884 1.00 0.00 H new ATOM 215 N GLU A 15 -15.378 8.080 8.882 1.00 0.00 N ATOM 216 CA GLU A 15 -15.173 6.602 8.837 1.00 0.00 C ATOM 217 C GLU A 15 -13.687 6.267 9.039 1.00 0.00 C ATOM 218 O GLU A 15 -13.352 5.322 9.747 1.00 0.00 O ATOM 219 CB GLU A 15 -15.687 6.042 7.496 1.00 0.00 C ATOM 220 CG GLU A 15 -14.694 6.332 6.354 1.00 0.00 C ATOM 221 CD GLU A 15 -14.841 5.291 5.247 1.00 0.00 C ATOM 222 OE1 GLU A 15 -14.473 4.154 5.481 1.00 0.00 O ATOM 223 OE2 GLU A 15 -15.305 5.647 4.183 1.00 0.00 O ATOM 0 H GLU A 15 -15.758 8.490 8.029 1.00 0.00 H new ATOM 0 HA GLU A 15 -15.738 6.136 9.644 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.841 4.966 7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.655 6.485 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -14.873 7.329 5.951 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.674 6.322 6.739 1.00 0.00 H new ATOM 230 N ILE A 16 -12.788 7.018 8.447 1.00 0.00 N ATOM 231 CA ILE A 16 -11.327 6.725 8.621 1.00 0.00 C ATOM 232 C ILE A 16 -10.909 7.018 10.069 1.00 0.00 C ATOM 233 O ILE A 16 -10.252 6.203 10.718 1.00 0.00 O ATOM 234 CB ILE A 16 -10.508 7.595 7.654 1.00 0.00 C ATOM 235 CG1 ILE A 16 -10.840 7.217 6.206 1.00 0.00 C ATOM 236 CG2 ILE A 16 -9.012 7.372 7.891 1.00 0.00 C ATOM 237 CD1 ILE A 16 -10.619 5.717 5.998 1.00 0.00 C ATOM 0 H ILE A 16 -13.001 7.819 7.852 1.00 0.00 H new ATOM 0 HA ILE A 16 -11.141 5.674 8.402 1.00 0.00 H new ATOM 0 HB ILE A 16 -10.757 8.642 7.830 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -11.875 7.476 5.981 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.213 7.785 5.519 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -8.438 7.992 7.202 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -8.762 7.642 8.917 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -8.769 6.323 7.723 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -10.856 5.454 4.967 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -9.578 5.471 6.205 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.265 5.157 6.674 1.00 0.00 H new ATOM 249 N GLY A 17 -11.282 8.159 10.589 1.00 0.00 N ATOM 250 CA GLY A 17 -10.915 8.505 12.001 1.00 0.00 C ATOM 251 C GLY A 17 -11.537 7.484 12.961 1.00 0.00 C ATOM 252 O GLY A 17 -10.849 6.893 13.792 1.00 0.00 O ATOM 0 H GLY A 17 -11.826 8.869 10.098 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -9.831 8.512 12.114 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -11.267 9.508 12.243 1.00 0.00 H new ATOM 256 N ILE A 18 -12.821 7.255 12.852 1.00 0.00 N ATOM 257 CA ILE A 18 -13.491 6.259 13.750 1.00 0.00 C ATOM 258 C ILE A 18 -12.847 4.875 13.551 1.00 0.00 C ATOM 259 O ILE A 18 -12.491 4.198 14.516 1.00 0.00 O ATOM 260 CB ILE A 18 -14.992 6.203 13.413 1.00 0.00 C ATOM 261 CG1 ILE A 18 -15.638 7.562 13.710 1.00 0.00 C ATOM 262 CG2 ILE A 18 -15.686 5.126 14.254 1.00 0.00 C ATOM 263 CD1 ILE A 18 -15.447 7.922 15.186 1.00 0.00 C ATOM 0 H ILE A 18 -13.437 7.714 12.180 1.00 0.00 H new ATOM 0 HA ILE A 18 -13.370 6.557 14.791 1.00 0.00 H new ATOM 0 HB ILE A 18 -15.103 5.961 12.356 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -15.193 8.331 13.079 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -16.701 7.529 13.470 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -16.747 5.098 14.005 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -15.238 4.155 14.043 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -15.568 5.358 15.312 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -15.909 8.889 15.387 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -15.914 7.160 15.810 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -14.382 7.974 15.413 1.00 0.00 H new ATOM 275 N LYS A 19 -12.673 4.450 12.321 1.00 0.00 N ATOM 276 CA LYS A 19 -12.035 3.117 12.063 1.00 0.00 C ATOM 277 C LYS A 19 -10.661 3.058 12.747 1.00 0.00 C ATOM 278 O LYS A 19 -10.260 2.025 13.278 1.00 0.00 O ATOM 279 CB LYS A 19 -11.850 2.923 10.552 1.00 0.00 C ATOM 280 CG LYS A 19 -12.383 1.553 10.124 1.00 0.00 C ATOM 281 CD LYS A 19 -13.769 1.694 9.461 1.00 0.00 C ATOM 282 CE LYS A 19 -13.779 2.883 8.480 1.00 0.00 C ATOM 283 NZ LYS A 19 -14.261 2.422 7.142 1.00 0.00 N ATOM 0 H LYS A 19 -12.945 4.968 11.485 1.00 0.00 H new ATOM 0 HA LYS A 19 -12.676 2.331 12.462 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -12.374 3.710 10.010 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.794 3.007 10.294 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.686 1.087 9.427 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.454 0.897 10.991 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -14.020 0.775 8.931 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -14.532 1.840 10.226 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -14.426 3.675 8.858 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -12.777 3.304 8.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -14.397 3.244 6.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -13.557 1.782 6.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -15.164 1.919 7.253 1.00 0.00 H new ATOM 297 N ARG A 20 -9.932 4.146 12.741 1.00 0.00 N ATOM 298 CA ARG A 20 -8.581 4.158 13.388 1.00 0.00 C ATOM 299 C ARG A 20 -8.696 4.437 14.903 1.00 0.00 C ATOM 300 O ARG A 20 -7.730 4.857 15.539 1.00 0.00 O ATOM 301 CB ARG A 20 -7.729 5.253 12.734 1.00 0.00 C ATOM 302 CG ARG A 20 -6.988 4.680 11.521 1.00 0.00 C ATOM 303 CD ARG A 20 -5.707 3.983 11.986 1.00 0.00 C ATOM 304 NE ARG A 20 -4.897 3.590 10.791 1.00 0.00 N ATOM 305 CZ ARG A 20 -3.615 3.475 10.884 1.00 0.00 C ATOM 306 NH1 ARG A 20 -3.101 2.353 11.254 1.00 0.00 N ATOM 307 NH2 ARG A 20 -2.860 4.482 10.607 1.00 0.00 N ATOM 0 H ARG A 20 -10.214 5.029 12.315 1.00 0.00 H new ATOM 0 HA ARG A 20 -8.117 3.181 13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.363 6.084 12.425 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.014 5.649 13.455 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -7.627 3.973 10.992 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.746 5.478 10.819 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -5.130 4.648 12.628 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -5.953 3.102 12.579 1.00 0.00 H new ATOM 0 HE ARG A 20 -5.360 3.412 9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -3.707 1.562 11.472 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -2.088 2.256 11.329 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.276 5.366 10.315 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -1.846 4.395 10.679 1.00 0.00 H new ATOM 321 N ASN A 21 -9.849 4.212 15.494 1.00 0.00 N ATOM 322 CA ASN A 21 -10.019 4.466 16.964 1.00 0.00 C ATOM 323 C ASN A 21 -9.815 5.960 17.281 1.00 0.00 C ATOM 324 O ASN A 21 -9.381 6.325 18.372 1.00 0.00 O ATOM 325 CB ASN A 21 -9.003 3.622 17.751 1.00 0.00 C ATOM 326 CG ASN A 21 -9.691 2.972 18.950 1.00 0.00 C ATOM 327 OD1 ASN A 21 -9.311 3.200 20.090 1.00 0.00 O ATOM 328 ND2 ASN A 21 -10.689 2.166 18.756 1.00 0.00 N ATOM 0 H ASN A 21 -10.682 3.862 15.020 1.00 0.00 H new ATOM 0 HA ASN A 21 -11.031 4.185 17.256 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.575 2.855 17.105 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.179 4.250 18.089 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.152 1.727 19.552 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -11.011 1.972 17.808 1.00 0.00 H new ATOM 335 N MET A 22 -10.126 6.831 16.357 1.00 0.00 N ATOM 336 CA MET A 22 -9.951 8.291 16.615 1.00 0.00 C ATOM 337 C MET A 22 -11.322 8.980 16.647 1.00 0.00 C ATOM 338 O MET A 22 -12.121 8.862 15.718 1.00 0.00 O ATOM 339 CB MET A 22 -9.090 8.903 15.505 1.00 0.00 C ATOM 340 CG MET A 22 -7.610 8.776 15.876 1.00 0.00 C ATOM 341 SD MET A 22 -6.651 9.996 14.945 1.00 0.00 S ATOM 342 CE MET A 22 -5.655 8.821 13.995 1.00 0.00 C ATOM 0 H MET A 22 -10.493 6.595 15.435 1.00 0.00 H new ATOM 0 HA MET A 22 -9.459 8.433 17.577 1.00 0.00 H new ATOM 0 HB2 MET A 22 -9.283 8.396 14.559 1.00 0.00 H new ATOM 0 HB3 MET A 22 -9.352 9.952 15.364 1.00 0.00 H new ATOM 0 HG2 MET A 22 -7.477 8.933 16.946 1.00 0.00 H new ATOM 0 HG3 MET A 22 -7.253 7.770 15.654 1.00 0.00 H new ATOM 0 HE1 MET A 22 -4.977 9.366 13.339 1.00 0.00 H new ATOM 0 HE2 MET A 22 -5.077 8.198 14.678 1.00 0.00 H new ATOM 0 HE3 MET A 22 -6.311 8.190 13.395 1.00 0.00 H new ATOM 352 N THR A 23 -11.610 9.700 17.698 1.00 0.00 N ATOM 353 CA THR A 23 -12.928 10.404 17.798 1.00 0.00 C ATOM 354 C THR A 23 -13.015 11.492 16.721 1.00 0.00 C ATOM 355 O THR A 23 -12.176 12.387 16.656 1.00 0.00 O ATOM 356 CB THR A 23 -13.061 11.048 19.184 1.00 0.00 C ATOM 357 OG1 THR A 23 -11.790 11.073 19.819 1.00 0.00 O ATOM 358 CG2 THR A 23 -14.029 10.235 20.039 1.00 0.00 C ATOM 0 H THR A 23 -10.989 9.833 18.496 1.00 0.00 H new ATOM 0 HA THR A 23 -13.733 9.684 17.651 1.00 0.00 H new ATOM 0 HB THR A 23 -13.438 12.064 19.071 1.00 0.00 H new ATOM 0 HG1 THR A 23 -11.874 11.486 20.704 1.00 0.00 H new ATOM 0 HG21 THR A 23 -14.121 10.696 21.023 1.00 0.00 H new ATOM 0 HG22 THR A 23 -15.007 10.210 19.558 1.00 0.00 H new ATOM 0 HG23 THR A 23 -13.652 9.218 20.148 1.00 0.00 H new ATOM 366 N VAL A 24 -14.009 11.431 15.873 1.00 0.00 N ATOM 367 CA VAL A 24 -14.148 12.463 14.796 1.00 0.00 C ATOM 368 C VAL A 24 -15.429 13.276 15.023 1.00 0.00 C ATOM 369 O VAL A 24 -16.540 12.791 14.810 1.00 0.00 O ATOM 370 CB VAL A 24 -14.215 11.776 13.426 1.00 0.00 C ATOM 371 CG1 VAL A 24 -14.138 12.829 12.321 1.00 0.00 C ATOM 372 CG2 VAL A 24 -13.038 10.813 13.271 1.00 0.00 C ATOM 0 H VAL A 24 -14.732 10.712 15.878 1.00 0.00 H new ATOM 0 HA VAL A 24 -13.286 13.129 14.825 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.153 11.226 13.351 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -14.186 12.340 11.348 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -14.973 13.522 12.420 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -13.200 13.377 12.406 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -13.091 10.328 12.296 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.102 11.366 13.351 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -13.081 10.057 14.055 1.00 0.00 H new ATOM 382 N HIS A 25 -15.298 14.503 15.453 1.00 0.00 N ATOM 383 CA HIS A 25 -16.510 15.349 15.697 1.00 0.00 C ATOM 384 C HIS A 25 -16.430 16.627 14.846 1.00 0.00 C ATOM 385 O HIS A 25 -15.402 17.298 14.812 1.00 0.00 O ATOM 386 CB HIS A 25 -16.578 15.722 17.185 1.00 0.00 C ATOM 387 CG HIS A 25 -16.567 14.473 18.024 1.00 0.00 C ATOM 388 ND1 HIS A 25 -17.724 13.781 18.332 1.00 0.00 N ATOM 389 CD2 HIS A 25 -15.547 13.785 18.631 1.00 0.00 C ATOM 390 CE1 HIS A 25 -17.376 12.727 19.095 1.00 0.00 C ATOM 391 NE2 HIS A 25 -16.060 12.683 19.306 1.00 0.00 N ATOM 0 H HIS A 25 -14.406 14.958 15.647 1.00 0.00 H new ATOM 0 HA HIS A 25 -17.405 14.791 15.420 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -15.732 16.356 17.449 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -17.482 16.297 17.384 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -18.669 14.024 18.035 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -14.503 14.058 18.591 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -18.077 12.006 19.488 1.00 0.00 H new ATOM 399 N PHE A 26 -17.494 16.974 14.159 1.00 0.00 N ATOM 400 CA PHE A 26 -17.481 18.209 13.304 1.00 0.00 C ATOM 401 C PHE A 26 -18.694 19.098 13.643 1.00 0.00 C ATOM 402 O PHE A 26 -19.773 18.956 13.062 1.00 0.00 O ATOM 403 CB PHE A 26 -17.543 17.796 11.828 1.00 0.00 C ATOM 404 CG PHE A 26 -16.146 17.659 11.275 1.00 0.00 C ATOM 405 CD1 PHE A 26 -15.368 16.546 11.609 1.00 0.00 C ATOM 406 CD2 PHE A 26 -15.628 18.646 10.429 1.00 0.00 C ATOM 407 CE1 PHE A 26 -14.073 16.418 11.096 1.00 0.00 C ATOM 408 CE2 PHE A 26 -14.333 18.518 9.916 1.00 0.00 C ATOM 409 CZ PHE A 26 -13.555 17.404 10.250 1.00 0.00 C ATOM 0 H PHE A 26 -18.372 16.456 14.153 1.00 0.00 H new ATOM 0 HA PHE A 26 -16.567 18.772 13.493 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -18.078 16.851 11.728 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -18.099 18.539 11.256 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -15.767 15.785 12.263 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -16.228 19.506 10.172 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -13.473 15.558 11.353 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -13.934 19.279 9.262 1.00 0.00 H new ATOM 0 HZ PHE A 26 -12.555 17.306 9.855 1.00 0.00 H new ATOM 419 N LYS A 27 -18.536 20.015 14.563 1.00 0.00 N ATOM 420 CA LYS A 27 -19.676 20.911 14.943 1.00 0.00 C ATOM 421 C LYS A 27 -19.305 22.387 14.693 1.00 0.00 C ATOM 422 O LYS A 27 -18.346 22.909 15.255 1.00 0.00 O ATOM 423 CB LYS A 27 -19.993 20.702 16.429 1.00 0.00 C ATOM 424 CG LYS A 27 -21.486 20.937 16.681 1.00 0.00 C ATOM 425 CD LYS A 27 -21.667 21.802 17.934 1.00 0.00 C ATOM 426 CE LYS A 27 -21.391 23.266 17.589 1.00 0.00 C ATOM 427 NZ LYS A 27 -21.162 24.039 18.845 1.00 0.00 N ATOM 0 H LYS A 27 -17.667 20.184 15.069 1.00 0.00 H new ATOM 0 HA LYS A 27 -20.548 20.666 14.336 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -19.719 19.691 16.730 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -19.401 21.386 17.036 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -21.937 21.429 15.819 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -21.998 19.983 16.808 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -22.680 21.693 18.320 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -20.989 21.469 18.720 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -20.518 23.339 16.940 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -22.233 23.686 17.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -20.974 25.035 18.611 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -22.007 23.979 19.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -20.345 23.643 19.352 1.00 0.00 H new ATOM 441 N VAL A 28 -20.055 23.073 13.868 1.00 0.00 N ATOM 442 CA VAL A 28 -19.751 24.518 13.591 1.00 0.00 C ATOM 443 C VAL A 28 -20.068 25.369 14.835 1.00 0.00 C ATOM 444 O VAL A 28 -20.903 25.001 15.662 1.00 0.00 O ATOM 445 CB VAL A 28 -20.595 24.996 12.398 1.00 0.00 C ATOM 446 CG1 VAL A 28 -22.072 25.064 12.794 1.00 0.00 C ATOM 447 CG2 VAL A 28 -20.134 26.388 11.964 1.00 0.00 C ATOM 0 H VAL A 28 -20.865 22.699 13.373 1.00 0.00 H new ATOM 0 HA VAL A 28 -18.693 24.627 13.352 1.00 0.00 H new ATOM 0 HB VAL A 28 -20.470 24.291 11.576 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -22.662 25.404 11.943 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -22.413 24.075 13.100 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -22.195 25.762 13.622 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -20.735 26.723 11.118 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -20.253 27.086 12.793 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -19.085 26.349 11.671 1.00 0.00 H new ATOM 457 N LEU A 29 -19.424 26.498 14.985 1.00 0.00 N ATOM 458 CA LEU A 29 -19.699 27.364 16.177 1.00 0.00 C ATOM 459 C LEU A 29 -20.803 28.363 15.832 1.00 0.00 C ATOM 460 O LEU A 29 -21.892 28.333 16.404 1.00 0.00 O ATOM 461 CB LEU A 29 -18.426 28.128 16.582 1.00 0.00 C ATOM 462 CG LEU A 29 -17.216 27.203 16.495 1.00 0.00 C ATOM 463 CD1 LEU A 29 -15.954 27.975 16.870 1.00 0.00 C ATOM 464 CD2 LEU A 29 -17.399 26.037 17.463 1.00 0.00 C ATOM 0 H LEU A 29 -18.722 26.859 14.338 1.00 0.00 H new ATOM 0 HA LEU A 29 -20.016 26.735 17.009 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -18.284 28.989 15.928 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -18.529 28.512 17.597 1.00 0.00 H new ATOM 0 HG LEU A 29 -17.122 26.825 15.477 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -15.090 27.313 16.807 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -15.821 28.811 16.183 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -16.048 28.354 17.888 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -16.535 25.375 17.402 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -17.493 26.419 18.479 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -18.300 25.483 17.199 1.00 0.00 H new ATOM 476 N ARG A 30 -20.535 29.240 14.905 1.00 0.00 N ATOM 477 CA ARG A 30 -21.554 30.258 14.496 1.00 0.00 C ATOM 478 C ARG A 30 -20.981 31.157 13.386 1.00 0.00 C ATOM 479 O ARG A 30 -19.891 30.910 12.861 1.00 0.00 O ATOM 480 CB ARG A 30 -21.936 31.117 15.711 1.00 0.00 C ATOM 481 CG ARG A 30 -23.462 31.175 15.833 1.00 0.00 C ATOM 482 CD ARG A 30 -23.845 31.883 17.132 1.00 0.00 C ATOM 483 NE ARG A 30 -23.981 33.348 16.864 1.00 0.00 N ATOM 484 CZ ARG A 30 -25.122 33.941 16.994 1.00 0.00 C ATOM 485 NH1 ARG A 30 -25.868 33.704 18.022 1.00 0.00 N ATOM 486 NH2 ARG A 30 -25.505 34.778 16.097 1.00 0.00 N ATOM 0 H ARG A 30 -19.647 29.299 14.407 1.00 0.00 H new ATOM 0 HA ARG A 30 -22.440 29.747 14.118 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -21.503 30.696 16.619 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -21.530 32.123 15.601 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -23.885 31.705 14.980 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -23.877 30.167 15.820 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -24.782 31.482 17.518 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -23.086 31.708 17.894 1.00 0.00 H new ATOM 0 HE ARG A 30 -23.164 33.886 16.575 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -25.557 33.046 18.737 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -26.767 34.175 18.119 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -24.910 34.969 15.291 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -26.404 35.251 16.191 1.00 0.00 H new ATOM 631 N PHE A 40 -17.726 31.878 8.739 1.00 0.00 N ATOM 632 CA PHE A 40 -18.264 30.847 9.685 1.00 0.00 C ATOM 633 C PHE A 40 -17.126 29.995 10.272 1.00 0.00 C ATOM 634 O PHE A 40 -16.431 29.273 9.554 1.00 0.00 O ATOM 635 CB PHE A 40 -19.234 29.937 8.924 1.00 0.00 C ATOM 636 CG PHE A 40 -20.536 30.665 8.684 1.00 0.00 C ATOM 637 CD1 PHE A 40 -21.540 30.641 9.657 1.00 0.00 C ATOM 638 CD2 PHE A 40 -20.739 31.358 7.486 1.00 0.00 C ATOM 639 CE1 PHE A 40 -22.747 31.315 9.434 1.00 0.00 C ATOM 640 CE2 PHE A 40 -21.945 32.032 7.262 1.00 0.00 C ATOM 641 CZ PHE A 40 -22.950 32.008 8.236 1.00 0.00 C ATOM 0 HA PHE A 40 -18.776 31.352 10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -18.794 29.636 7.973 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -19.416 29.026 9.494 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -21.385 30.103 10.580 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -19.965 31.373 6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -23.521 31.300 10.187 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -22.100 32.570 6.339 1.00 0.00 H new ATOM 0 HZ PHE A 40 -23.882 32.525 8.063 1.00 0.00 H new ATOM 651 N ILE A 41 -16.937 30.041 11.567 1.00 0.00 N ATOM 652 CA ILE A 41 -15.858 29.211 12.193 1.00 0.00 C ATOM 653 C ILE A 41 -16.404 27.809 12.485 1.00 0.00 C ATOM 654 O ILE A 41 -17.408 27.639 13.183 1.00 0.00 O ATOM 655 CB ILE A 41 -15.373 29.837 13.508 1.00 0.00 C ATOM 656 CG1 ILE A 41 -15.139 31.343 13.326 1.00 0.00 C ATOM 657 CG2 ILE A 41 -14.062 29.170 13.935 1.00 0.00 C ATOM 658 CD1 ILE A 41 -13.977 31.579 12.357 1.00 0.00 C ATOM 0 H ILE A 41 -17.478 30.613 12.216 1.00 0.00 H new ATOM 0 HA ILE A 41 -15.019 29.159 11.499 1.00 0.00 H new ATOM 0 HB ILE A 41 -16.134 29.685 14.273 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.044 31.816 12.944 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -14.920 31.804 14.289 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.716 29.613 14.869 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -14.227 28.102 14.079 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.309 29.319 13.161 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -13.818 32.650 12.234 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.072 31.121 12.756 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -14.213 31.134 11.391 1.00 0.00 H new ATOM 670 N THR A 42 -15.761 26.801 11.972 1.00 0.00 N ATOM 671 CA THR A 42 -16.230 25.403 12.219 1.00 0.00 C ATOM 672 C THR A 42 -15.372 24.765 13.315 1.00 0.00 C ATOM 673 O THR A 42 -14.178 25.040 13.427 1.00 0.00 O ATOM 674 CB THR A 42 -16.108 24.588 10.926 1.00 0.00 C ATOM 675 OG1 THR A 42 -17.034 25.081 9.966 1.00 0.00 O ATOM 676 CG2 THR A 42 -16.418 23.120 11.205 1.00 0.00 C ATOM 0 H THR A 42 -14.927 26.881 11.390 1.00 0.00 H new ATOM 0 HA THR A 42 -17.272 25.417 12.539 1.00 0.00 H new ATOM 0 HB THR A 42 -15.091 24.679 10.544 1.00 0.00 H new ATOM 0 HG1 THR A 42 -16.955 24.562 9.139 1.00 0.00 H new ATOM 0 HG21 THR A 42 -16.329 22.548 10.282 1.00 0.00 H new ATOM 0 HG22 THR A 42 -15.713 22.733 11.941 1.00 0.00 H new ATOM 0 HG23 THR A 42 -17.433 23.030 11.592 1.00 0.00 H new ATOM 684 N ALA A 43 -15.942 23.915 14.126 1.00 0.00 N ATOM 685 CA ALA A 43 -15.135 23.271 15.199 1.00 0.00 C ATOM 686 C ALA A 43 -15.115 21.750 14.992 1.00 0.00 C ATOM 687 O ALA A 43 -16.158 21.094 14.976 1.00 0.00 O ATOM 688 CB ALA A 43 -15.735 23.600 16.567 1.00 0.00 C ATOM 0 H ALA A 43 -16.924 23.641 14.092 1.00 0.00 H new ATOM 0 HA ALA A 43 -14.114 23.651 15.156 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -15.141 23.126 17.348 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -15.734 24.680 16.715 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -16.759 23.228 16.614 1.00 0.00 H new ATOM 694 N CYS A 44 -13.954 21.170 14.844 1.00 0.00 N ATOM 695 CA CYS A 44 -13.883 19.698 14.649 1.00 0.00 C ATOM 696 C CYS A 44 -12.780 19.128 15.541 1.00 0.00 C ATOM 697 O CYS A 44 -11.814 19.812 15.875 1.00 0.00 O ATOM 698 CB CYS A 44 -13.586 19.383 13.177 1.00 0.00 C ATOM 699 SG CYS A 44 -12.191 20.385 12.600 1.00 0.00 S ATOM 0 H CYS A 44 -13.055 21.653 14.850 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.837 19.245 14.918 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.356 18.324 13.062 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -14.467 19.586 12.568 1.00 0.00 H new ATOM 0 HG CYS A 44 -12.307 21.596 13.059 1.00 0.00 H new ATOM 705 N ILE A 45 -12.903 17.898 15.942 1.00 0.00 N ATOM 706 CA ILE A 45 -11.852 17.295 16.813 1.00 0.00 C ATOM 707 C ILE A 45 -11.471 15.907 16.281 1.00 0.00 C ATOM 708 O ILE A 45 -12.330 15.109 15.893 1.00 0.00 O ATOM 709 CB ILE A 45 -12.361 17.203 18.261 1.00 0.00 C ATOM 710 CG1 ILE A 45 -11.149 17.239 19.210 1.00 0.00 C ATOM 711 CG2 ILE A 45 -13.161 15.910 18.458 1.00 0.00 C ATOM 712 CD1 ILE A 45 -11.370 16.312 20.410 1.00 0.00 C ATOM 0 H ILE A 45 -13.682 17.282 15.708 1.00 0.00 H new ATOM 0 HA ILE A 45 -10.964 17.927 16.800 1.00 0.00 H new ATOM 0 HB ILE A 45 -13.020 18.043 18.479 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -10.251 16.937 18.672 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -10.984 18.259 19.558 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -13.517 15.855 19.487 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -14.013 15.902 17.779 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -12.523 15.052 18.249 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -10.501 16.354 21.067 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -12.255 16.632 20.959 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -11.511 15.290 20.059 1.00 0.00 H new ATOM 724 N VAL A 46 -10.198 15.617 16.243 1.00 0.00 N ATOM 725 CA VAL A 46 -9.734 14.291 15.732 1.00 0.00 C ATOM 726 C VAL A 46 -8.242 14.107 16.053 1.00 0.00 C ATOM 727 O VAL A 46 -7.424 14.995 15.812 1.00 0.00 O ATOM 728 CB VAL A 46 -9.966 14.218 14.212 1.00 0.00 C ATOM 729 CG1 VAL A 46 -8.903 15.027 13.464 1.00 0.00 C ATOM 730 CG2 VAL A 46 -9.894 12.763 13.755 1.00 0.00 C ATOM 0 H VAL A 46 -9.453 16.245 16.546 1.00 0.00 H new ATOM 0 HA VAL A 46 -10.298 13.494 16.216 1.00 0.00 H new ATOM 0 HB VAL A 46 -10.949 14.634 13.992 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -9.085 14.962 12.391 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -8.951 16.070 13.778 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.915 14.626 13.689 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -10.058 12.711 12.679 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.911 12.355 13.992 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.661 12.182 14.267 1.00 0.00 H new ATOM 740 N GLY A 47 -7.874 12.976 16.601 1.00 0.00 N ATOM 741 CA GLY A 47 -6.436 12.729 16.949 1.00 0.00 C ATOM 742 C GLY A 47 -5.897 13.871 17.820 1.00 0.00 C ATOM 743 O GLY A 47 -6.148 13.925 19.020 1.00 0.00 O ATOM 0 H GLY A 47 -8.508 12.209 16.824 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.340 11.781 17.479 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.843 12.646 16.038 1.00 0.00 H new ATOM 747 N SER A 48 -5.158 14.780 17.237 1.00 0.00 N ATOM 748 CA SER A 48 -4.598 15.923 18.031 1.00 0.00 C ATOM 749 C SER A 48 -5.084 17.270 17.468 1.00 0.00 C ATOM 750 O SER A 48 -4.532 18.322 17.792 1.00 0.00 O ATOM 751 CB SER A 48 -3.070 15.880 17.970 1.00 0.00 C ATOM 752 OG SER A 48 -2.536 16.707 19.002 1.00 0.00 O ATOM 0 H SER A 48 -4.916 14.783 16.246 1.00 0.00 H new ATOM 0 HA SER A 48 -4.939 15.829 19.062 1.00 0.00 H new ATOM 0 HB2 SER A 48 -2.718 14.855 18.090 1.00 0.00 H new ATOM 0 HB3 SER A 48 -2.723 16.224 16.996 1.00 0.00 H new ATOM 0 HG SER A 48 -2.996 17.572 18.998 1.00 0.00 H new ATOM 758 N ILE A 49 -6.096 17.269 16.635 1.00 0.00 N ATOM 759 CA ILE A 49 -6.591 18.562 16.065 1.00 0.00 C ATOM 760 C ILE A 49 -7.951 18.926 16.677 1.00 0.00 C ATOM 761 O ILE A 49 -8.783 18.059 16.961 1.00 0.00 O ATOM 762 CB ILE A 49 -6.723 18.439 14.539 1.00 0.00 C ATOM 763 CG1 ILE A 49 -5.344 18.191 13.920 1.00 0.00 C ATOM 764 CG2 ILE A 49 -7.301 19.734 13.959 1.00 0.00 C ATOM 765 CD1 ILE A 49 -4.390 19.326 14.306 1.00 0.00 C ATOM 0 H ILE A 49 -6.598 16.436 16.327 1.00 0.00 H new ATOM 0 HA ILE A 49 -5.876 19.350 16.303 1.00 0.00 H new ATOM 0 HB ILE A 49 -7.387 17.606 14.309 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.947 17.236 14.265 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -5.428 18.128 12.835 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -7.392 19.639 12.877 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -8.285 19.919 14.391 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -6.638 20.566 14.196 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.411 19.145 13.863 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.784 20.274 13.939 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.295 19.369 15.391 1.00 0.00 H new ATOM 777 N VAL A 50 -8.186 20.196 16.876 1.00 0.00 N ATOM 778 CA VAL A 50 -9.484 20.659 17.462 1.00 0.00 C ATOM 779 C VAL A 50 -10.008 21.846 16.654 1.00 0.00 C ATOM 780 O VAL A 50 -9.263 22.477 15.919 1.00 0.00 O ATOM 781 CB VAL A 50 -9.255 21.132 18.895 1.00 0.00 C ATOM 782 CG1 VAL A 50 -10.482 21.881 19.410 1.00 0.00 C ATOM 783 CG2 VAL A 50 -8.962 19.939 19.808 1.00 0.00 C ATOM 0 H VAL A 50 -7.527 20.943 16.656 1.00 0.00 H new ATOM 0 HA VAL A 50 -10.198 19.836 17.442 1.00 0.00 H new ATOM 0 HB VAL A 50 -8.398 21.805 18.901 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -10.303 22.212 20.433 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -10.672 22.747 18.776 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -11.348 21.219 19.389 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.801 20.291 20.827 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -9.808 19.252 19.791 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.068 19.423 19.457 1.00 0.00 H new ATOM 793 N THR A 51 -11.271 22.155 16.815 1.00 0.00 N ATOM 794 CA THR A 51 -11.916 23.315 16.103 1.00 0.00 C ATOM 795 C THR A 51 -11.212 23.589 14.768 1.00 0.00 C ATOM 796 O THR A 51 -11.510 22.956 13.758 1.00 0.00 O ATOM 797 CB THR A 51 -11.871 24.569 16.991 1.00 0.00 C ATOM 798 OG1 THR A 51 -10.537 24.810 17.409 1.00 0.00 O ATOM 799 CG2 THR A 51 -12.756 24.362 18.218 1.00 0.00 C ATOM 0 H THR A 51 -11.904 21.639 17.427 1.00 0.00 H new ATOM 0 HA THR A 51 -12.956 23.061 15.899 1.00 0.00 H new ATOM 0 HB THR A 51 -12.234 25.424 16.421 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.511 25.611 17.973 1.00 0.00 H new ATOM 0 HG21 THR A 51 -12.722 25.253 18.846 1.00 0.00 H new ATOM 0 HG22 THR A 51 -13.783 24.181 17.900 1.00 0.00 H new ATOM 0 HG23 THR A 51 -12.396 23.504 18.786 1.00 0.00 H new ATOM 807 N GLU A 52 -10.270 24.497 14.769 1.00 0.00 N ATOM 808 CA GLU A 52 -9.472 24.832 13.545 1.00 0.00 C ATOM 809 C GLU A 52 -10.326 24.971 12.269 1.00 0.00 C ATOM 810 O GLU A 52 -9.818 24.860 11.148 1.00 0.00 O ATOM 811 CB GLU A 52 -8.458 23.723 13.325 1.00 0.00 C ATOM 812 CG GLU A 52 -7.158 24.042 14.083 1.00 0.00 C ATOM 813 CD GLU A 52 -6.370 25.123 13.347 1.00 0.00 C ATOM 814 OE1 GLU A 52 -6.821 26.255 13.335 1.00 0.00 O ATOM 815 OE2 GLU A 52 -5.339 24.801 12.786 1.00 0.00 O ATOM 0 H GLU A 52 -10.011 25.039 15.594 1.00 0.00 H new ATOM 0 HA GLU A 52 -9.003 25.800 13.720 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -8.866 22.773 13.669 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -8.251 23.614 12.260 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -7.391 24.376 15.094 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -6.552 23.141 14.177 1.00 0.00 H new ATOM 822 N GLY A 53 -11.592 25.199 12.396 1.00 0.00 N ATOM 823 CA GLY A 53 -12.459 25.322 11.179 1.00 0.00 C ATOM 824 C GLY A 53 -12.463 26.760 10.655 1.00 0.00 C ATOM 825 O GLY A 53 -13.358 27.542 10.967 1.00 0.00 O ATOM 0 H GLY A 53 -12.077 25.308 13.287 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.099 24.648 10.401 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -13.477 25.016 11.420 1.00 0.00 H new ATOM 829 N GLU A 54 -11.493 27.125 9.858 1.00 0.00 N ATOM 830 CA GLU A 54 -11.458 28.518 9.315 1.00 0.00 C ATOM 831 C GLU A 54 -12.270 28.600 8.004 1.00 0.00 C ATOM 832 O GLU A 54 -11.723 28.697 6.900 1.00 0.00 O ATOM 833 CB GLU A 54 -10.002 28.969 9.082 1.00 0.00 C ATOM 834 CG GLU A 54 -9.119 27.800 8.609 1.00 0.00 C ATOM 835 CD GLU A 54 -7.698 28.301 8.319 1.00 0.00 C ATOM 836 OE1 GLU A 54 -7.541 29.131 7.442 1.00 0.00 O ATOM 837 OE2 GLU A 54 -6.791 27.833 8.973 1.00 0.00 O ATOM 0 H GLU A 54 -10.726 26.523 9.560 1.00 0.00 H new ATOM 0 HA GLU A 54 -11.911 29.189 10.045 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -9.981 29.766 8.339 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -9.596 29.383 10.005 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.091 27.022 9.372 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.545 27.351 7.712 1.00 0.00 H new ATOM 844 N GLY A 55 -13.575 28.573 8.111 1.00 0.00 N ATOM 845 CA GLY A 55 -14.445 28.661 6.891 1.00 0.00 C ATOM 846 C GLY A 55 -14.612 30.127 6.483 1.00 0.00 C ATOM 847 O GLY A 55 -15.035 30.960 7.277 1.00 0.00 O ATOM 0 H GLY A 55 -14.080 28.494 8.994 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -14.000 28.094 6.073 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.419 28.216 7.094 1.00 0.00 H new ATOM 943 N LYS A 62 -17.231 23.878 6.630 1.00 0.00 N ATOM 944 CA LYS A 62 -16.972 22.509 7.175 1.00 0.00 C ATOM 945 C LYS A 62 -15.850 21.853 6.355 1.00 0.00 C ATOM 946 O LYS A 62 -14.912 21.278 6.904 1.00 0.00 O ATOM 947 CB LYS A 62 -18.253 21.671 7.074 1.00 0.00 C ATOM 948 CG LYS A 62 -18.593 21.078 8.445 1.00 0.00 C ATOM 949 CD LYS A 62 -20.075 21.323 8.754 1.00 0.00 C ATOM 950 CE LYS A 62 -20.679 20.090 9.432 1.00 0.00 C ATOM 951 NZ LYS A 62 -21.961 20.477 10.089 1.00 0.00 N ATOM 0 HA LYS A 62 -16.670 22.572 8.221 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -19.077 22.291 6.721 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -18.120 20.872 6.345 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -18.380 20.009 8.454 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -17.970 21.533 9.215 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -20.181 22.193 9.402 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -20.615 21.543 7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -20.855 19.304 8.697 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -19.984 19.687 10.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -22.379 19.645 10.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -21.778 21.214 10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -22.621 20.842 9.373 1.00 0.00 H new ATOM 965 N LYS A 63 -15.930 21.951 5.047 1.00 0.00 N ATOM 966 CA LYS A 63 -14.876 21.359 4.160 1.00 0.00 C ATOM 967 C LYS A 63 -13.485 21.823 4.623 1.00 0.00 C ATOM 968 O LYS A 63 -12.648 21.016 5.009 1.00 0.00 O ATOM 969 CB LYS A 63 -15.109 21.820 2.712 1.00 0.00 C ATOM 970 CG LYS A 63 -16.342 21.126 2.122 1.00 0.00 C ATOM 971 CD LYS A 63 -16.710 21.802 0.793 1.00 0.00 C ATOM 972 CE LYS A 63 -17.574 20.864 -0.051 1.00 0.00 C ATOM 973 NZ LYS A 63 -17.694 21.424 -1.422 1.00 0.00 N ATOM 0 H LYS A 63 -16.688 22.421 4.552 1.00 0.00 H new ATOM 0 HA LYS A 63 -14.931 20.272 4.214 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -15.245 22.901 2.685 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -14.232 21.594 2.106 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -16.137 20.067 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -17.178 21.187 2.819 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -17.248 22.731 0.985 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -15.804 22.065 0.247 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -17.127 19.870 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -18.561 20.753 0.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -18.280 20.793 -2.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -18.137 22.364 -1.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -16.748 21.508 -1.847 1.00 0.00 H new ATOM 987 N ARG A 64 -13.235 23.110 4.589 1.00 0.00 N ATOM 988 CA ARG A 64 -11.905 23.650 5.022 1.00 0.00 C ATOM 989 C ARG A 64 -11.491 23.042 6.371 1.00 0.00 C ATOM 990 O ARG A 64 -10.359 22.585 6.540 1.00 0.00 O ATOM 991 CB ARG A 64 -12.007 25.175 5.148 1.00 0.00 C ATOM 992 CG ARG A 64 -10.693 25.743 5.691 1.00 0.00 C ATOM 993 CD ARG A 64 -9.662 25.825 4.564 1.00 0.00 C ATOM 994 NE ARG A 64 -9.485 27.256 4.171 1.00 0.00 N ATOM 995 CZ ARG A 64 -8.839 28.057 4.946 1.00 0.00 C ATOM 996 NH1 ARG A 64 -7.558 28.128 4.869 1.00 0.00 N ATOM 997 NH2 ARG A 64 -9.472 28.770 5.807 1.00 0.00 N ATOM 0 H ARG A 64 -13.901 23.817 4.277 1.00 0.00 H new ATOM 0 HA ARG A 64 -11.150 23.387 4.281 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -12.229 25.615 4.176 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.830 25.439 5.813 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.861 26.733 6.116 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.317 25.111 6.495 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.711 25.404 4.892 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -9.993 25.237 3.708 1.00 0.00 H new ATOM 0 HE ARG A 64 -9.874 27.597 3.292 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -7.055 27.551 4.195 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -7.045 28.762 5.482 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.487 28.702 5.878 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -8.959 29.404 6.420 1.00 0.00 H new ATOM 1011 N ALA A 65 -12.381 23.022 7.332 1.00 0.00 N ATOM 1012 CA ALA A 65 -12.035 22.433 8.661 1.00 0.00 C ATOM 1013 C ALA A 65 -11.583 20.968 8.464 1.00 0.00 C ATOM 1014 O ALA A 65 -10.564 20.533 9.007 1.00 0.00 O ATOM 1015 CB ALA A 65 -13.265 22.491 9.574 1.00 0.00 C ATOM 0 H ALA A 65 -13.330 23.387 7.253 1.00 0.00 H new ATOM 0 HA ALA A 65 -11.224 22.997 9.122 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.018 22.062 10.545 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.574 23.528 9.703 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -14.079 21.924 9.124 1.00 0.00 H new ATOM 1021 N ALA A 66 -12.314 20.212 7.680 1.00 0.00 N ATOM 1022 CA ALA A 66 -11.938 18.785 7.422 1.00 0.00 C ATOM 1023 C ALA A 66 -10.619 18.716 6.628 1.00 0.00 C ATOM 1024 O ALA A 66 -9.740 17.908 6.933 1.00 0.00 O ATOM 1025 CB ALA A 66 -13.061 18.109 6.627 1.00 0.00 C ATOM 0 H ALA A 66 -13.161 20.524 7.205 1.00 0.00 H new ATOM 0 HA ALA A 66 -11.797 18.270 8.372 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.796 17.069 6.435 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -13.987 18.147 7.201 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.200 18.629 5.679 1.00 0.00 H new ATOM 1031 N GLU A 67 -10.460 19.547 5.626 1.00 0.00 N ATOM 1032 CA GLU A 67 -9.196 19.537 4.818 1.00 0.00 C ATOM 1033 C GLU A 67 -7.991 19.701 5.753 1.00 0.00 C ATOM 1034 O GLU A 67 -6.979 19.011 5.622 1.00 0.00 O ATOM 1035 CB GLU A 67 -9.226 20.688 3.803 1.00 0.00 C ATOM 1036 CG GLU A 67 -10.545 20.651 3.019 1.00 0.00 C ATOM 1037 CD GLU A 67 -10.267 20.691 1.520 1.00 0.00 C ATOM 1038 OE1 GLU A 67 -10.083 19.638 0.940 1.00 0.00 O ATOM 1039 OE2 GLU A 67 -10.241 21.780 0.970 1.00 0.00 O ATOM 0 H GLU A 67 -11.153 20.235 5.331 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.112 18.590 4.284 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.125 21.643 4.318 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -8.382 20.604 3.118 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -11.100 19.747 3.269 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -11.170 21.498 3.303 1.00 0.00 H new ATOM 1046 N LYS A 68 -8.092 20.589 6.707 1.00 0.00 N ATOM 1047 CA LYS A 68 -6.971 20.793 7.674 1.00 0.00 C ATOM 1048 C LYS A 68 -6.757 19.503 8.485 1.00 0.00 C ATOM 1049 O LYS A 68 -5.627 19.092 8.746 1.00 0.00 O ATOM 1050 CB LYS A 68 -7.328 21.950 8.617 1.00 0.00 C ATOM 1051 CG LYS A 68 -6.059 22.717 8.997 1.00 0.00 C ATOM 1052 CD LYS A 68 -6.346 23.618 10.204 1.00 0.00 C ATOM 1053 CE LYS A 68 -7.099 24.875 9.753 1.00 0.00 C ATOM 1054 NZ LYS A 68 -6.801 26.000 10.686 1.00 0.00 N ATOM 0 H LYS A 68 -8.906 21.185 6.859 1.00 0.00 H new ATOM 0 HA LYS A 68 -6.054 21.033 7.136 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.038 22.620 8.133 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.814 21.564 9.513 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -5.257 22.018 9.234 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -5.719 23.318 8.154 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.937 23.075 10.941 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.411 23.899 10.689 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.804 25.143 8.738 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -8.171 24.681 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.836 26.900 10.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.506 26.013 11.450 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.853 25.872 11.093 1.00 0.00 H new ATOM 1068 N MET A 69 -7.823 18.851 8.875 1.00 0.00 N ATOM 1069 CA MET A 69 -7.691 17.581 9.657 1.00 0.00 C ATOM 1070 C MET A 69 -7.099 16.478 8.766 1.00 0.00 C ATOM 1071 O MET A 69 -6.227 15.723 9.189 1.00 0.00 O ATOM 1072 CB MET A 69 -9.074 17.146 10.151 1.00 0.00 C ATOM 1073 CG MET A 69 -9.614 18.174 11.146 1.00 0.00 C ATOM 1074 SD MET A 69 -10.924 17.415 12.132 1.00 0.00 S ATOM 1075 CE MET A 69 -10.280 17.881 13.756 1.00 0.00 C ATOM 0 H MET A 69 -8.782 19.143 8.686 1.00 0.00 H new ATOM 0 HA MET A 69 -7.030 17.749 10.507 1.00 0.00 H new ATOM 0 HB2 MET A 69 -9.758 17.048 9.308 1.00 0.00 H new ATOM 0 HB3 MET A 69 -9.010 16.166 10.625 1.00 0.00 H new ATOM 0 HG2 MET A 69 -8.812 18.526 11.795 1.00 0.00 H new ATOM 0 HG3 MET A 69 -10.000 19.044 10.615 1.00 0.00 H new ATOM 0 HE1 MET A 69 -10.806 17.322 14.530 1.00 0.00 H new ATOM 0 HE2 MET A 69 -9.215 17.654 13.804 1.00 0.00 H new ATOM 0 HE3 MET A 69 -10.431 18.949 13.914 1.00 0.00 H new ATOM 1085 N LEU A 70 -7.558 16.366 7.545 1.00 0.00 N ATOM 1086 CA LEU A 70 -7.025 15.307 6.632 1.00 0.00 C ATOM 1087 C LEU A 70 -5.514 15.490 6.426 1.00 0.00 C ATOM 1088 O LEU A 70 -4.735 14.559 6.625 1.00 0.00 O ATOM 1089 CB LEU A 70 -7.754 15.379 5.285 1.00 0.00 C ATOM 1090 CG LEU A 70 -9.165 14.804 5.436 1.00 0.00 C ATOM 1091 CD1 LEU A 70 -9.868 14.816 4.082 1.00 0.00 C ATOM 1092 CD2 LEU A 70 -9.079 13.363 5.943 1.00 0.00 C ATOM 0 H LEU A 70 -8.280 16.962 7.140 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.195 14.329 7.082 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.806 16.412 4.942 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.201 14.820 4.530 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.726 15.410 6.147 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -10.872 14.407 4.190 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -9.931 15.840 3.714 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.303 14.210 3.373 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.084 12.954 6.050 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.516 12.760 5.231 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.576 13.347 6.910 1.00 0.00 H new ATOM 1104 N VAL A 71 -5.078 16.668 6.045 1.00 0.00 N ATOM 1105 CA VAL A 71 -3.607 16.888 5.843 1.00 0.00 C ATOM 1106 C VAL A 71 -2.846 16.542 7.138 1.00 0.00 C ATOM 1107 O VAL A 71 -1.733 16.020 7.094 1.00 0.00 O ATOM 1108 CB VAL A 71 -3.342 18.347 5.431 1.00 0.00 C ATOM 1109 CG1 VAL A 71 -3.695 19.301 6.572 1.00 0.00 C ATOM 1110 CG2 VAL A 71 -1.863 18.520 5.080 1.00 0.00 C ATOM 0 H VAL A 71 -5.669 17.480 5.866 1.00 0.00 H new ATOM 0 HA VAL A 71 -3.252 16.236 5.044 1.00 0.00 H new ATOM 0 HB VAL A 71 -3.963 18.579 4.566 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.501 20.328 6.261 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.750 19.192 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.087 19.065 7.445 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.677 19.554 4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.252 18.272 5.948 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.605 17.858 4.253 1.00 0.00 H new ATOM 1120 N GLU A 72 -3.432 16.800 8.284 1.00 0.00 N ATOM 1121 CA GLU A 72 -2.752 16.463 9.575 1.00 0.00 C ATOM 1122 C GLU A 72 -2.779 14.939 9.782 1.00 0.00 C ATOM 1123 O GLU A 72 -1.739 14.292 9.909 1.00 0.00 O ATOM 1124 CB GLU A 72 -3.487 17.154 10.729 1.00 0.00 C ATOM 1125 CG GLU A 72 -2.485 17.520 11.834 1.00 0.00 C ATOM 1126 CD GLU A 72 -2.292 16.339 12.791 1.00 0.00 C ATOM 1127 OE1 GLU A 72 -3.266 15.920 13.400 1.00 0.00 O ATOM 1128 OE2 GLU A 72 -1.171 15.881 12.908 1.00 0.00 O ATOM 0 H GLU A 72 -4.352 17.230 8.380 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.718 16.805 9.547 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -3.989 18.052 10.368 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -4.259 16.496 11.128 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -1.529 17.797 11.390 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.843 18.389 12.386 1.00 0.00 H new ATOM 1135 N LEU A 73 -3.952 14.353 9.800 1.00 0.00 N ATOM 1136 CA LEU A 73 -4.062 12.868 9.987 1.00 0.00 C ATOM 1137 C LEU A 73 -3.244 12.133 8.913 1.00 0.00 C ATOM 1138 O LEU A 73 -2.751 11.031 9.140 1.00 0.00 O ATOM 1139 CB LEU A 73 -5.534 12.446 9.889 1.00 0.00 C ATOM 1140 CG LEU A 73 -6.339 13.107 11.010 1.00 0.00 C ATOM 1141 CD1 LEU A 73 -7.824 12.821 10.803 1.00 0.00 C ATOM 1142 CD2 LEU A 73 -5.902 12.539 12.360 1.00 0.00 C ATOM 0 H LEU A 73 -4.842 14.839 9.693 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.670 12.606 10.970 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -5.940 12.733 8.919 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -5.616 11.361 9.961 1.00 0.00 H new ATOM 0 HG LEU A 73 -6.164 14.183 10.994 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -8.400 13.291 11.600 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.141 13.223 9.841 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -7.993 11.744 10.820 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.477 13.011 13.157 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -6.076 11.463 12.376 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.841 12.737 12.512 1.00 0.00 H new ATOM 1154 N GLN A 74 -3.078 12.722 7.757 1.00 0.00 N ATOM 1155 CA GLN A 74 -2.273 12.060 6.685 1.00 0.00 C ATOM 1156 C GLN A 74 -0.785 12.425 6.853 1.00 0.00 C ATOM 1157 O GLN A 74 0.041 12.154 5.979 1.00 0.00 O ATOM 1158 CB GLN A 74 -2.773 12.532 5.319 1.00 0.00 C ATOM 1159 CG GLN A 74 -4.039 11.751 4.944 1.00 0.00 C ATOM 1160 CD GLN A 74 -4.607 12.283 3.630 1.00 0.00 C ATOM 1161 OE1 GLN A 74 -5.680 12.872 3.605 1.00 0.00 O ATOM 1162 NE2 GLN A 74 -3.948 12.101 2.527 1.00 0.00 N ATOM 0 H GLN A 74 -3.465 13.633 7.508 1.00 0.00 H new ATOM 0 HA GLN A 74 -2.383 10.978 6.759 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -2.986 13.601 5.346 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -2.001 12.380 4.564 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -3.807 10.690 4.847 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -4.782 11.844 5.736 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.054 11.611 2.542 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -4.324 12.448 1.645 1.00 0.00 H new ATOM 1171 N LYS A 75 -0.433 13.043 7.953 1.00 0.00 N ATOM 1172 CA LYS A 75 0.986 13.435 8.192 1.00 0.00 C ATOM 1173 C LYS A 75 1.565 12.674 9.402 1.00 0.00 C ATOM 1174 O LYS A 75 2.783 12.643 9.592 1.00 0.00 O ATOM 1175 CB LYS A 75 1.040 14.940 8.467 1.00 0.00 C ATOM 1176 CG LYS A 75 1.795 15.644 7.338 1.00 0.00 C ATOM 1177 CD LYS A 75 3.301 15.436 7.526 1.00 0.00 C ATOM 1178 CE LYS A 75 4.052 16.024 6.333 1.00 0.00 C ATOM 1179 NZ LYS A 75 5.514 16.053 6.641 1.00 0.00 N ATOM 0 H LYS A 75 -1.077 13.294 8.703 1.00 0.00 H new ATOM 0 HA LYS A 75 1.578 13.187 7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.030 15.341 8.547 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.534 15.128 9.420 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.480 15.248 6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.561 16.709 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.632 15.913 8.448 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.523 14.373 7.620 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.868 15.426 5.441 1.00 0.00 H new ATOM 0 HE3 LYS A 75 3.692 17.031 6.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 6.031 16.453 5.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 5.680 16.641 7.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 5.850 15.086 6.823 1.00 0.00 H new ATOM 1193 N LEU A 76 0.727 12.080 10.221 1.00 0.00 N ATOM 1194 CA LEU A 76 1.223 11.333 11.416 1.00 0.00 C ATOM 1195 C LEU A 76 1.620 9.896 11.022 1.00 0.00 C ATOM 1196 O LEU A 76 2.749 9.520 11.298 1.00 0.00 O ATOM 1197 CB LEU A 76 0.109 11.284 12.465 1.00 0.00 C ATOM 1198 CG LEU A 76 -0.215 12.697 12.955 1.00 0.00 C ATOM 1199 CD1 LEU A 76 -1.647 12.734 13.484 1.00 0.00 C ATOM 1200 CD2 LEU A 76 0.742 13.080 14.083 1.00 0.00 C ATOM 1201 OXT LEU A 76 0.788 9.192 10.462 1.00 0.00 O ATOM 0 H LEU A 76 -0.287 12.083 10.109 1.00 0.00 H new ATOM 0 HA LEU A 76 2.099 11.840 11.820 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.783 10.825 12.038 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.417 10.661 13.305 1.00 0.00 H new ATOM 0 HG LEU A 76 -0.107 13.399 12.128 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -1.880 13.740 13.834 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -2.337 12.458 12.686 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -1.748 12.030 14.310 1.00 0.00 H new ATOM 0 HD21 LEU A 76 0.510 14.087 14.431 1.00 0.00 H new ATOM 0 HD22 LEU A 76 0.632 12.376 14.908 1.00 0.00 H new ATOM 0 HD23 LEU A 76 1.768 13.051 13.716 1.00 0.00 H new