USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 617 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 21 THR OG1 : rot 47:sc= 1.24 USER MOD Set 1.2: A 81 SER OG : rot -79:sc= 0.133 USER MOD Set 2.1: A 16 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 20 ASN : amide:sc= 1.18 K(o=1.2,f=-0.031) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.272 USER MOD Single : A 15 SER OG : rot -48:sc= 1.09 USER MOD Single : A 19 HIS : no HD1:sc= -0.117 X(o=-0.12,f=0) USER MOD Single : A 23 SER OG : rot 100:sc= 1.25 USER MOD Single : A 28 LYS NZ :NH3+ -173:sc= 1.48 (180deg=1.35) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0717 USER MOD Single : A 33 LYS NZ :NH3+ -170:sc=-0.00644 (180deg=-0.119) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 147:sc= 1.28 (180deg=1.04) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 161:sc= 1.01 USER MOD Single : A 64 SER OG : rot 157:sc= 1.25 USER MOD Single : A 79 TYR OH : rot 132:sc= 0.392 USER MOD Single : A 84 SER OG : rot -32:sc= 0.436 USER MOD ----------------------------------------------------------------- ATOM 94 N LEU A 6 -3.237 12.441 -14.479 1.00 10.00 N ATOM 95 CA LEU A 6 -2.461 12.103 -13.290 1.00 10.00 C ATOM 96 C LEU A 6 -1.341 13.126 -13.051 1.00 10.00 C ATOM 97 O LEU A 6 -0.460 13.307 -13.891 1.00 10.00 O ATOM 98 CB LEU A 6 -1.846 10.701 -13.462 1.00 10.00 C ATOM 99 CG LEU A 6 -2.833 9.519 -13.469 1.00 10.00 C ATOM 100 CD1 LEU A 6 -2.048 8.218 -13.677 1.00 10.00 C ATOM 101 CD2 LEU A 6 -3.619 9.406 -12.160 1.00 10.00 C ATOM 0 HA LEU A 6 -3.128 12.117 -12.428 1.00 10.00 H new ATOM 0 HB2 LEU A 6 -1.287 10.685 -14.397 1.00 10.00 H new ATOM 0 HB3 LEU A 6 -1.127 10.542 -12.658 1.00 10.00 H new ATOM 0 HG LEU A 6 -3.546 9.691 -14.276 1.00 10.00 H new ATOM 0 HD11 LEU A 6 -2.738 7.374 -13.684 1.00 10.00 H new ATOM 0 HD12 LEU A 6 -1.518 8.261 -14.629 1.00 10.00 H new ATOM 0 HD13 LEU A 6 -1.330 8.093 -12.867 1.00 10.00 H new ATOM 0 HD21 LEU A 6 -4.300 8.557 -12.217 1.00 10.00 H new ATOM 0 HD22 LEU A 6 -2.926 9.260 -11.331 1.00 10.00 H new ATOM 0 HD23 LEU A 6 -4.191 10.320 -11.999 1.00 10.00 H new ATOM 113 N THR A 7 -1.369 13.760 -11.878 1.00 10.00 N ATOM 114 CA THR A 7 -0.334 14.666 -11.375 1.00 10.00 C ATOM 115 C THR A 7 -0.138 14.453 -9.864 1.00 10.00 C ATOM 116 O THR A 7 -0.626 13.472 -9.301 1.00 10.00 O ATOM 117 CB THR A 7 -0.682 16.116 -11.771 1.00 10.00 C ATOM 118 OG1 THR A 7 0.391 16.984 -11.473 1.00 10.00 O ATOM 119 CG2 THR A 7 -1.940 16.679 -11.104 1.00 10.00 C ATOM 0 H THR A 7 -2.145 13.652 -11.225 1.00 10.00 H new ATOM 0 HA THR A 7 0.631 14.447 -11.833 1.00 10.00 H new ATOM 0 HB THR A 7 -0.876 16.065 -12.842 1.00 10.00 H new ATOM 0 HG1 THR A 7 0.153 17.899 -11.732 1.00 10.00 H new ATOM 0 HG21 THR A 7 -2.105 17.702 -11.443 1.00 10.00 H new ATOM 0 HG22 THR A 7 -2.800 16.065 -11.372 1.00 10.00 H new ATOM 0 HG23 THR A 7 -1.812 16.671 -10.022 1.00 10.00 H new ATOM 127 N GLU A 8 0.595 15.352 -9.203 1.00 10.00 N ATOM 128 CA GLU A 8 0.998 15.253 -7.794 1.00 10.00 C ATOM 129 C GLU A 8 -0.161 14.890 -6.854 1.00 10.00 C ATOM 130 O GLU A 8 0.024 14.077 -5.954 1.00 10.00 O ATOM 131 CB GLU A 8 1.634 16.580 -7.339 1.00 10.00 C ATOM 132 CG GLU A 8 2.859 17.028 -8.152 1.00 10.00 C ATOM 133 CD GLU A 8 4.035 16.056 -8.014 1.00 10.00 C ATOM 134 OE1 GLU A 8 4.006 15.021 -8.716 1.00 10.00 O ATOM 135 OE2 GLU A 8 4.941 16.362 -7.207 1.00 10.00 O ATOM 0 H GLU A 8 0.938 16.202 -9.650 1.00 10.00 H new ATOM 0 HA GLU A 8 1.721 14.440 -7.733 1.00 10.00 H new ATOM 0 HB2 GLU A 8 0.878 17.363 -7.389 1.00 10.00 H new ATOM 0 HB3 GLU A 8 1.926 16.485 -6.293 1.00 10.00 H new ATOM 0 HG2 GLU A 8 2.583 17.114 -9.203 1.00 10.00 H new ATOM 0 HG3 GLU A 8 3.169 18.019 -7.821 1.00 10.00 H new ATOM 142 N GLY A 9 -1.362 15.437 -7.089 1.00 10.00 N ATOM 143 CA GLY A 9 -2.553 15.147 -6.290 1.00 10.00 C ATOM 144 C GLY A 9 -3.047 13.706 -6.437 1.00 10.00 C ATOM 145 O GLY A 9 -3.291 13.039 -5.435 1.00 10.00 O ATOM 0 H GLY A 9 -1.532 16.099 -7.847 1.00 10.00 H new ATOM 0 HA2 GLY A 9 -2.334 15.343 -5.240 1.00 10.00 H new ATOM 0 HA3 GLY A 9 -3.352 15.829 -6.582 1.00 10.00 H new ATOM 149 N ASP A 10 -3.160 13.202 -7.669 1.00 10.00 N ATOM 150 CA ASP A 10 -3.595 11.830 -7.949 1.00 10.00 C ATOM 151 C ASP A 10 -2.552 10.815 -7.463 1.00 10.00 C ATOM 152 O ASP A 10 -2.895 9.774 -6.905 1.00 10.00 O ATOM 153 CB ASP A 10 -3.796 11.640 -9.462 1.00 10.00 C ATOM 154 CG ASP A 10 -4.446 12.839 -10.149 1.00 10.00 C ATOM 155 OD1 ASP A 10 -3.694 13.821 -10.356 1.00 10.00 O ATOM 156 OD2 ASP A 10 -5.645 12.753 -10.490 1.00 10.00 O ATOM 0 H ASP A 10 -2.950 13.741 -8.509 1.00 10.00 H new ATOM 0 HA ASP A 10 -4.534 11.663 -7.421 1.00 10.00 H new ATOM 0 HB2 ASP A 10 -2.829 11.446 -9.927 1.00 10.00 H new ATOM 0 HB3 ASP A 10 -4.413 10.757 -9.630 1.00 10.00 H new ATOM 161 N LEU A 11 -1.268 11.135 -7.660 1.00 10.00 N ATOM 162 CA LEU A 11 -0.143 10.342 -7.174 1.00 10.00 C ATOM 163 C LEU A 11 -0.079 10.321 -5.638 1.00 10.00 C ATOM 164 O LEU A 11 0.086 9.239 -5.069 1.00 10.00 O ATOM 165 CB LEU A 11 1.151 10.847 -7.841 1.00 10.00 C ATOM 166 CG LEU A 11 1.399 10.328 -9.280 1.00 10.00 C ATOM 167 CD1 LEU A 11 0.206 10.267 -10.242 1.00 10.00 C ATOM 168 CD2 LEU A 11 2.509 11.146 -9.944 1.00 10.00 C ATOM 0 H LEU A 11 -0.981 11.969 -8.172 1.00 10.00 H new ATOM 0 HA LEU A 11 -0.278 9.298 -7.458 1.00 10.00 H new ATOM 0 HB2 LEU A 11 1.127 11.936 -7.864 1.00 10.00 H new ATOM 0 HB3 LEU A 11 1.998 10.560 -7.218 1.00 10.00 H new ATOM 0 HG LEU A 11 1.666 9.285 -9.113 1.00 10.00 H new ATOM 0 HD11 LEU A 11 0.536 9.884 -11.208 1.00 10.00 H new ATOM 0 HD12 LEU A 11 -0.558 9.607 -9.832 1.00 10.00 H new ATOM 0 HD13 LEU A 11 -0.209 11.267 -10.371 1.00 10.00 H new ATOM 0 HD21 LEU A 11 2.678 10.776 -10.955 1.00 10.00 H new ATOM 0 HD22 LEU A 11 2.213 12.194 -9.986 1.00 10.00 H new ATOM 0 HD23 LEU A 11 3.427 11.051 -9.364 1.00 10.00 H new ATOM 180 N ASP A 12 -0.293 11.460 -4.961 1.00 10.00 N ATOM 181 CA ASP A 12 -0.451 11.498 -3.505 1.00 10.00 C ATOM 182 C ASP A 12 -1.665 10.672 -3.052 1.00 10.00 C ATOM 183 O ASP A 12 -1.505 9.818 -2.177 1.00 10.00 O ATOM 184 CB ASP A 12 -0.573 12.954 -3.026 1.00 10.00 C ATOM 185 CG ASP A 12 -0.757 13.045 -1.508 1.00 10.00 C ATOM 186 OD1 ASP A 12 0.277 13.063 -0.805 1.00 10.00 O ATOM 187 OD2 ASP A 12 -1.929 13.090 -1.069 1.00 10.00 O ATOM 0 H ASP A 12 -0.361 12.374 -5.408 1.00 10.00 H new ATOM 0 HA ASP A 12 0.435 11.052 -3.054 1.00 10.00 H new ATOM 0 HB2 ASP A 12 0.320 13.507 -3.317 1.00 10.00 H new ATOM 0 HB3 ASP A 12 -1.419 13.430 -3.523 1.00 10.00 H new ATOM 192 N GLU A 13 -2.825 10.820 -3.711 1.00 10.00 N ATOM 193 CA GLU A 13 -4.048 10.076 -3.391 1.00 10.00 C ATOM 194 C GLU A 13 -3.853 8.562 -3.542 1.00 10.00 C ATOM 195 O GLU A 13 -4.230 7.811 -2.642 1.00 10.00 O ATOM 196 CB GLU A 13 -5.209 10.584 -4.269 1.00 10.00 C ATOM 197 CG GLU A 13 -6.553 9.929 -3.915 1.00 10.00 C ATOM 198 CD GLU A 13 -7.688 10.466 -4.795 1.00 10.00 C ATOM 199 OE1 GLU A 13 -7.917 9.869 -5.871 1.00 10.00 O ATOM 200 OE2 GLU A 13 -8.323 11.462 -4.379 1.00 10.00 O ATOM 0 H GLU A 13 -2.939 11.468 -4.490 1.00 10.00 H new ATOM 0 HA GLU A 13 -4.294 10.254 -2.344 1.00 10.00 H new ATOM 0 HB2 GLU A 13 -5.296 11.665 -4.158 1.00 10.00 H new ATOM 0 HB3 GLU A 13 -4.979 10.388 -5.316 1.00 10.00 H new ATOM 0 HG2 GLU A 13 -6.476 8.849 -4.038 1.00 10.00 H new ATOM 0 HG3 GLU A 13 -6.785 10.115 -2.866 1.00 10.00 H new ATOM 207 N ILE A 14 -3.202 8.106 -4.619 1.00 10.00 N ATOM 208 CA ILE A 14 -2.854 6.692 -4.808 1.00 10.00 C ATOM 209 C ILE A 14 -1.848 6.238 -3.737 1.00 10.00 C ATOM 210 O ILE A 14 -2.050 5.184 -3.130 1.00 10.00 O ATOM 211 CB ILE A 14 -2.367 6.454 -6.257 1.00 10.00 C ATOM 212 CG1 ILE A 14 -3.581 6.550 -7.217 1.00 10.00 C ATOM 213 CG2 ILE A 14 -1.674 5.086 -6.413 1.00 10.00 C ATOM 214 CD1 ILE A 14 -3.231 6.572 -8.712 1.00 10.00 C ATOM 0 H ILE A 14 -2.901 8.708 -5.385 1.00 10.00 H new ATOM 0 HA ILE A 14 -3.739 6.070 -4.673 1.00 10.00 H new ATOM 0 HB ILE A 14 -1.630 7.218 -6.503 1.00 10.00 H new ATOM 0 HG12 ILE A 14 -4.242 5.704 -7.027 1.00 10.00 H new ATOM 0 HG13 ILE A 14 -4.142 7.453 -6.978 1.00 10.00 H new ATOM 0 HG21 ILE A 14 -1.347 4.959 -7.445 1.00 10.00 H new ATOM 0 HG22 ILE A 14 -0.810 5.038 -5.751 1.00 10.00 H new ATOM 0 HG23 ILE A 14 -2.374 4.292 -6.154 1.00 10.00 H new ATOM 0 HD11 ILE A 14 -4.147 6.641 -9.299 1.00 10.00 H new ATOM 0 HD12 ILE A 14 -2.598 7.434 -8.925 1.00 10.00 H new ATOM 0 HD13 ILE A 14 -2.699 5.657 -8.975 1.00 10.00 H new ATOM 226 N SER A 15 -0.825 7.047 -3.420 1.00 10.00 N ATOM 227 CA SER A 15 0.106 6.726 -2.330 1.00 10.00 C ATOM 228 C SER A 15 -0.617 6.571 -0.983 1.00 10.00 C ATOM 229 O SER A 15 -0.361 5.616 -0.246 1.00 10.00 O ATOM 230 CB SER A 15 1.223 7.781 -2.251 1.00 10.00 C ATOM 231 OG SER A 15 0.837 8.953 -1.559 1.00 10.00 O ATOM 0 H SER A 15 -0.623 7.924 -3.901 1.00 10.00 H new ATOM 0 HA SER A 15 0.560 5.761 -2.553 1.00 10.00 H new ATOM 0 HB2 SER A 15 2.091 7.345 -1.757 1.00 10.00 H new ATOM 0 HB3 SER A 15 1.532 8.049 -3.261 1.00 10.00 H new ATOM 0 HG SER A 15 -0.033 9.258 -1.892 1.00 10.00 H new ATOM 237 N SER A 16 -1.593 7.445 -0.711 1.00 10.00 N ATOM 238 CA SER A 16 -2.428 7.414 0.484 1.00 10.00 C ATOM 239 C SER A 16 -3.366 6.205 0.482 1.00 10.00 C ATOM 240 O SER A 16 -3.492 5.537 1.510 1.00 10.00 O ATOM 241 CB SER A 16 -3.216 8.723 0.577 1.00 10.00 C ATOM 242 OG SER A 16 -3.933 8.775 1.794 1.00 10.00 O ATOM 0 H SER A 16 -1.826 8.214 -1.339 1.00 10.00 H new ATOM 0 HA SER A 16 -1.788 7.314 1.361 1.00 10.00 H new ATOM 0 HB2 SER A 16 -2.535 9.572 0.511 1.00 10.00 H new ATOM 0 HB3 SER A 16 -3.906 8.802 -0.264 1.00 10.00 H new ATOM 0 HG SER A 16 -4.432 9.617 1.844 1.00 10.00 H new ATOM 248 N PHE A 17 -3.983 5.871 -0.659 1.00 10.00 N ATOM 249 CA PHE A 17 -4.882 4.722 -0.780 1.00 10.00 C ATOM 250 C PHE A 17 -4.172 3.402 -0.452 1.00 10.00 C ATOM 251 O PHE A 17 -4.717 2.586 0.300 1.00 10.00 O ATOM 252 CB PHE A 17 -5.467 4.696 -2.202 1.00 10.00 C ATOM 253 CG PHE A 17 -6.341 3.492 -2.513 1.00 10.00 C ATOM 254 CD1 PHE A 17 -7.525 3.270 -1.784 1.00 10.00 C ATOM 255 CD2 PHE A 17 -5.968 2.586 -3.527 1.00 10.00 C ATOM 256 CE1 PHE A 17 -8.323 2.145 -2.057 1.00 10.00 C ATOM 257 CE2 PHE A 17 -6.763 1.458 -3.796 1.00 10.00 C ATOM 258 CZ PHE A 17 -7.941 1.238 -3.061 1.00 10.00 C ATOM 0 H PHE A 17 -3.870 6.395 -1.527 1.00 10.00 H new ATOM 0 HA PHE A 17 -5.687 4.829 -0.053 1.00 10.00 H new ATOM 0 HB2 PHE A 17 -6.054 5.602 -2.354 1.00 10.00 H new ATOM 0 HB3 PHE A 17 -4.645 4.725 -2.918 1.00 10.00 H new ATOM 0 HD1 PHE A 17 -7.821 3.966 -1.013 1.00 10.00 H new ATOM 0 HD2 PHE A 17 -5.068 2.759 -4.099 1.00 10.00 H new ATOM 0 HE1 PHE A 17 -9.230 1.978 -1.495 1.00 10.00 H new ATOM 0 HE2 PHE A 17 -6.469 0.761 -4.567 1.00 10.00 H new ATOM 0 HZ PHE A 17 -8.553 0.372 -3.268 1.00 10.00 H new ATOM 268 N LEU A 18 -2.936 3.206 -0.934 1.00 10.00 N ATOM 269 CA LEU A 18 -2.165 2.016 -0.573 1.00 10.00 C ATOM 270 C LEU A 18 -1.563 2.091 0.836 1.00 10.00 C ATOM 271 O LEU A 18 -1.606 1.083 1.538 1.00 10.00 O ATOM 272 CB LEU A 18 -1.128 1.655 -1.650 1.00 10.00 C ATOM 273 CG LEU A 18 -1.695 1.095 -2.979 1.00 10.00 C ATOM 274 CD1 LEU A 18 -3.000 0.297 -2.847 1.00 10.00 C ATOM 275 CD2 LEU A 18 -1.921 2.190 -4.015 1.00 10.00 C ATOM 0 H LEU A 18 -2.458 3.848 -1.566 1.00 10.00 H new ATOM 0 HA LEU A 18 -2.875 1.190 -0.536 1.00 10.00 H new ATOM 0 HB2 LEU A 18 -0.542 2.546 -1.875 1.00 10.00 H new ATOM 0 HB3 LEU A 18 -0.441 0.919 -1.232 1.00 10.00 H new ATOM 0 HG LEU A 18 -0.916 0.405 -3.304 1.00 10.00 H new ATOM 0 HD11 LEU A 18 -3.314 -0.051 -3.831 1.00 10.00 H new ATOM 0 HD12 LEU A 18 -2.838 -0.560 -2.193 1.00 10.00 H new ATOM 0 HD13 LEU A 18 -3.775 0.935 -2.423 1.00 10.00 H new ATOM 0 HD21 LEU A 18 -2.319 1.749 -4.929 1.00 10.00 H new ATOM 0 HD22 LEU A 18 -2.631 2.919 -3.625 1.00 10.00 H new ATOM 0 HD23 LEU A 18 -0.975 2.686 -4.233 1.00 10.00 H new ATOM 287 N HIS A 19 -1.090 3.254 1.303 1.00 10.00 N ATOM 288 CA HIS A 19 -0.629 3.404 2.689 1.00 10.00 C ATOM 289 C HIS A 19 -1.739 3.069 3.704 1.00 10.00 C ATOM 290 O HIS A 19 -1.499 2.312 4.651 1.00 10.00 O ATOM 291 CB HIS A 19 -0.073 4.822 2.885 1.00 10.00 C ATOM 292 CG HIS A 19 0.509 5.125 4.247 1.00 10.00 C ATOM 293 ND1 HIS A 19 0.768 6.387 4.734 1.00 10.00 N ATOM 294 CD2 HIS A 19 0.924 4.239 5.209 1.00 10.00 C ATOM 295 CE1 HIS A 19 1.319 6.260 5.953 1.00 10.00 C ATOM 296 NE2 HIS A 19 1.433 4.967 6.286 1.00 10.00 N ATOM 0 H HIS A 19 -1.017 4.103 0.742 1.00 10.00 H new ATOM 0 HA HIS A 19 0.170 2.686 2.876 1.00 10.00 H new ATOM 0 HB2 HIS A 19 0.699 4.994 2.136 1.00 10.00 H new ATOM 0 HB3 HIS A 19 -0.874 5.535 2.687 1.00 10.00 H new ATOM 0 HD2 HIS A 19 0.867 3.162 5.144 1.00 10.00 H new ATOM 0 HE1 HIS A 19 1.627 7.085 6.578 1.00 10.00 H new ATOM 0 HE2 HIS A 19 1.815 4.590 7.153 1.00 10.00 H new ATOM 304 N ASN A 20 -2.968 3.555 3.478 1.00 10.00 N ATOM 305 CA ASN A 20 -4.137 3.166 4.269 1.00 10.00 C ATOM 306 C ASN A 20 -4.475 1.678 4.082 1.00 10.00 C ATOM 307 O ASN A 20 -4.702 0.996 5.078 1.00 10.00 O ATOM 308 CB ASN A 20 -5.337 4.065 3.927 1.00 10.00 C ATOM 309 CG ASN A 20 -5.211 5.451 4.546 1.00 10.00 C ATOM 310 OD1 ASN A 20 -5.602 5.685 5.677 1.00 10.00 O ATOM 311 ND2 ASN A 20 -4.660 6.410 3.833 1.00 10.00 N ATOM 0 H ASN A 20 -3.176 4.229 2.741 1.00 10.00 H new ATOM 0 HA ASN A 20 -3.897 3.306 5.323 1.00 10.00 H new ATOM 0 HB2 ASN A 20 -5.422 4.159 2.844 1.00 10.00 H new ATOM 0 HB3 ASN A 20 -6.254 3.593 4.279 1.00 10.00 H new ATOM 0 HD21 ASN A 20 -4.561 7.346 4.227 1.00 10.00 H new ATOM 0 HD22 ASN A 20 -4.332 6.218 2.887 1.00 10.00 H new ATOM 318 N THR A 21 -4.409 1.143 2.852 1.00 10.00 N ATOM 319 CA THR A 21 -4.734 -0.270 2.585 1.00 10.00 C ATOM 320 C THR A 21 -3.801 -1.208 3.359 1.00 10.00 C ATOM 321 O THR A 21 -4.286 -2.118 4.030 1.00 10.00 O ATOM 322 CB THR A 21 -4.650 -0.600 1.079 1.00 10.00 C ATOM 323 OG1 THR A 21 -5.569 0.162 0.325 1.00 10.00 O ATOM 324 CG2 THR A 21 -4.969 -2.066 0.774 1.00 10.00 C ATOM 0 H THR A 21 -4.133 1.669 2.023 1.00 10.00 H new ATOM 0 HA THR A 21 -5.759 -0.424 2.921 1.00 10.00 H new ATOM 0 HB THR A 21 -3.620 -0.370 0.806 1.00 10.00 H new ATOM 0 HG1 THR A 21 -5.514 1.102 0.596 1.00 10.00 H new ATOM 0 HG21 THR A 21 -4.894 -2.239 -0.300 1.00 10.00 H new ATOM 0 HG22 THR A 21 -4.260 -2.709 1.295 1.00 10.00 H new ATOM 0 HG23 THR A 21 -5.981 -2.296 1.109 1.00 10.00 H new ATOM 332 N ILE A 22 -2.481 -0.973 3.328 1.00 10.00 N ATOM 333 CA ILE A 22 -1.523 -1.767 4.115 1.00 10.00 C ATOM 334 C ILE A 22 -1.753 -1.553 5.610 1.00 10.00 C ATOM 335 O ILE A 22 -1.761 -2.527 6.357 1.00 10.00 O ATOM 336 CB ILE A 22 -0.063 -1.437 3.741 1.00 10.00 C ATOM 337 CG1 ILE A 22 0.174 -1.735 2.258 1.00 10.00 C ATOM 338 CG2 ILE A 22 0.953 -2.240 4.577 1.00 10.00 C ATOM 339 CD1 ILE A 22 1.619 -1.571 1.810 1.00 10.00 C ATOM 0 H ILE A 22 -2.051 -0.239 2.766 1.00 10.00 H new ATOM 0 HA ILE A 22 -1.694 -2.817 3.878 1.00 10.00 H new ATOM 0 HB ILE A 22 0.088 -0.378 3.950 1.00 10.00 H new ATOM 0 HG12 ILE A 22 -0.145 -2.756 2.049 1.00 10.00 H new ATOM 0 HG13 ILE A 22 -0.456 -1.075 1.662 1.00 10.00 H new ATOM 0 HG21 ILE A 22 1.965 -1.971 4.275 1.00 10.00 H new ATOM 0 HG22 ILE A 22 0.816 -2.011 5.634 1.00 10.00 H new ATOM 0 HG23 ILE A 22 0.797 -3.306 4.414 1.00 10.00 H new ATOM 0 HD11 ILE A 22 1.699 -1.801 0.748 1.00 10.00 H new ATOM 0 HD12 ILE A 22 1.939 -0.544 1.984 1.00 10.00 H new ATOM 0 HD13 ILE A 22 2.255 -2.250 2.377 1.00 10.00 H new ATOM 351 N SER A 23 -1.971 -0.306 6.047 1.00 10.00 N ATOM 352 CA SER A 23 -2.217 0.013 7.459 1.00 10.00 C ATOM 353 C SER A 23 -3.424 -0.757 8.006 1.00 10.00 C ATOM 354 O SER A 23 -3.308 -1.426 9.032 1.00 10.00 O ATOM 355 CB SER A 23 -2.419 1.519 7.659 1.00 10.00 C ATOM 356 OG SER A 23 -1.299 2.239 7.188 1.00 10.00 O ATOM 0 H SER A 23 -1.982 0.508 5.433 1.00 10.00 H new ATOM 0 HA SER A 23 -1.333 -0.296 8.017 1.00 10.00 H new ATOM 0 HB2 SER A 23 -3.315 1.844 7.131 1.00 10.00 H new ATOM 0 HB3 SER A 23 -2.577 1.733 8.716 1.00 10.00 H new ATOM 0 HG SER A 23 -1.494 2.603 6.299 1.00 10.00 H new ATOM 362 N ASP A 24 -4.555 -0.733 7.288 1.00 10.00 N ATOM 363 CA ASP A 24 -5.754 -1.490 7.652 1.00 10.00 C ATOM 364 C ASP A 24 -5.523 -3.005 7.577 1.00 10.00 C ATOM 365 O ASP A 24 -5.986 -3.734 8.455 1.00 10.00 O ATOM 366 CB ASP A 24 -6.921 -1.099 6.728 1.00 10.00 C ATOM 367 CG ASP A 24 -7.458 0.316 6.976 1.00 10.00 C ATOM 368 OD1 ASP A 24 -7.497 0.721 8.160 1.00 10.00 O ATOM 369 OD2 ASP A 24 -7.874 0.952 5.982 1.00 10.00 O ATOM 0 H ASP A 24 -4.661 -0.184 6.435 1.00 10.00 H new ATOM 0 HA ASP A 24 -5.997 -1.241 8.685 1.00 10.00 H new ATOM 0 HB2 ASP A 24 -6.593 -1.177 5.691 1.00 10.00 H new ATOM 0 HB3 ASP A 24 -7.733 -1.814 6.860 1.00 10.00 H new ATOM 374 N PHE A 25 -4.774 -3.496 6.578 1.00 10.00 N ATOM 375 CA PHE A 25 -4.512 -4.931 6.441 1.00 10.00 C ATOM 376 C PHE A 25 -3.565 -5.440 7.547 1.00 10.00 C ATOM 377 O PHE A 25 -3.756 -6.545 8.060 1.00 10.00 O ATOM 378 CB PHE A 25 -3.975 -5.231 5.031 1.00 10.00 C ATOM 379 CG PHE A 25 -4.107 -6.677 4.579 1.00 10.00 C ATOM 380 CD1 PHE A 25 -3.255 -7.679 5.077 1.00 10.00 C ATOM 381 CD2 PHE A 25 -5.083 -7.020 3.620 1.00 10.00 C ATOM 382 CE1 PHE A 25 -3.388 -9.004 4.627 1.00 10.00 C ATOM 383 CE2 PHE A 25 -5.208 -8.346 3.165 1.00 10.00 C ATOM 384 CZ PHE A 25 -4.342 -9.337 3.654 1.00 10.00 C ATOM 0 H PHE A 25 -4.341 -2.919 5.856 1.00 10.00 H new ATOM 0 HA PHE A 25 -5.449 -5.474 6.568 1.00 10.00 H new ATOM 0 HB2 PHE A 25 -4.500 -4.595 4.318 1.00 10.00 H new ATOM 0 HB3 PHE A 25 -2.922 -4.951 4.994 1.00 10.00 H new ATOM 0 HD1 PHE A 25 -2.498 -7.430 5.806 1.00 10.00 H new ATOM 0 HD2 PHE A 25 -5.741 -6.257 3.231 1.00 10.00 H new ATOM 0 HE1 PHE A 25 -2.749 -9.774 5.035 1.00 10.00 H new ATOM 0 HE2 PHE A 25 -5.968 -8.601 2.441 1.00 10.00 H new ATOM 0 HZ PHE A 25 -4.410 -10.349 3.283 1.00 10.00 H new ATOM 394 N ILE A 26 -2.588 -4.627 7.974 1.00 10.00 N ATOM 395 CA ILE A 26 -1.772 -4.892 9.151 1.00 10.00 C ATOM 396 C ILE A 26 -2.676 -4.893 10.386 1.00 10.00 C ATOM 397 O ILE A 26 -2.710 -5.906 11.076 1.00 10.00 O ATOM 398 CB ILE A 26 -0.617 -3.863 9.213 1.00 10.00 C ATOM 399 CG1 ILE A 26 0.459 -4.257 8.174 1.00 10.00 C ATOM 400 CG2 ILE A 26 -0.010 -3.772 10.618 1.00 10.00 C ATOM 401 CD1 ILE A 26 1.590 -3.235 8.015 1.00 10.00 C ATOM 0 H ILE A 26 -2.345 -3.757 7.500 1.00 10.00 H new ATOM 0 HA ILE A 26 -1.302 -5.874 9.106 1.00 10.00 H new ATOM 0 HB ILE A 26 -1.014 -2.875 8.978 1.00 10.00 H new ATOM 0 HG12 ILE A 26 0.890 -5.216 8.461 1.00 10.00 H new ATOM 0 HG13 ILE A 26 -0.023 -4.401 7.207 1.00 10.00 H new ATOM 0 HG21 ILE A 26 0.797 -3.039 10.619 1.00 10.00 H new ATOM 0 HG22 ILE A 26 -0.779 -3.466 11.327 1.00 10.00 H new ATOM 0 HG23 ILE A 26 0.384 -4.746 10.908 1.00 10.00 H new ATOM 0 HD11 ILE A 26 2.299 -3.591 7.268 1.00 10.00 H new ATOM 0 HD12 ILE A 26 1.175 -2.279 7.695 1.00 10.00 H new ATOM 0 HD13 ILE A 26 2.102 -3.107 8.969 1.00 10.00 H new ATOM 413 N LEU A 27 -3.479 -3.842 10.620 1.00 10.00 N ATOM 414 CA LEU A 27 -4.368 -3.759 11.788 1.00 10.00 C ATOM 415 C LEU A 27 -5.392 -4.903 11.869 1.00 10.00 C ATOM 416 O LEU A 27 -5.702 -5.358 12.970 1.00 10.00 O ATOM 417 CB LEU A 27 -5.072 -2.384 11.827 1.00 10.00 C ATOM 418 CG LEU A 27 -4.452 -1.344 12.782 1.00 10.00 C ATOM 419 CD1 LEU A 27 -4.645 -1.746 14.249 1.00 10.00 C ATOM 420 CD2 LEU A 27 -2.963 -1.085 12.529 1.00 10.00 C ATOM 0 H LEU A 27 -3.529 -3.029 10.006 1.00 10.00 H new ATOM 0 HA LEU A 27 -3.734 -3.869 12.667 1.00 10.00 H new ATOM 0 HB2 LEU A 27 -5.075 -1.969 10.819 1.00 10.00 H new ATOM 0 HB3 LEU A 27 -6.113 -2.537 12.112 1.00 10.00 H new ATOM 0 HG LEU A 27 -4.988 -0.418 12.574 1.00 10.00 H new ATOM 0 HD11 LEU A 27 -4.196 -0.991 14.895 1.00 10.00 H new ATOM 0 HD12 LEU A 27 -5.710 -1.824 14.468 1.00 10.00 H new ATOM 0 HD13 LEU A 27 -4.166 -2.709 14.429 1.00 10.00 H new ATOM 0 HD21 LEU A 27 -2.597 -0.343 13.239 1.00 10.00 H new ATOM 0 HD22 LEU A 27 -2.406 -2.013 12.655 1.00 10.00 H new ATOM 0 HD23 LEU A 27 -2.826 -0.714 11.513 1.00 10.00 H new ATOM 432 N LYS A 28 -5.897 -5.396 10.728 1.00 10.00 N ATOM 433 CA LYS A 28 -6.794 -6.562 10.679 1.00 10.00 C ATOM 434 C LYS A 28 -6.055 -7.910 10.786 1.00 10.00 C ATOM 435 O LYS A 28 -6.724 -8.934 10.913 1.00 10.00 O ATOM 436 CB LYS A 28 -7.754 -6.447 9.471 1.00 10.00 C ATOM 437 CG LYS A 28 -7.154 -6.794 8.112 1.00 10.00 C ATOM 438 CD LYS A 28 -7.328 -8.239 7.635 1.00 10.00 C ATOM 439 CE LYS A 28 -6.410 -8.410 6.422 1.00 10.00 C ATOM 440 NZ LYS A 28 -6.397 -9.798 5.917 1.00 10.00 N ATOM 0 H LYS A 28 -5.695 -4.997 9.811 1.00 10.00 H new ATOM 0 HA LYS A 28 -7.414 -6.551 11.576 1.00 10.00 H new ATOM 0 HB2 LYS A 28 -8.609 -7.100 9.647 1.00 10.00 H new ATOM 0 HB3 LYS A 28 -8.135 -5.427 9.429 1.00 10.00 H new ATOM 0 HG2 LYS A 28 -7.595 -6.133 7.366 1.00 10.00 H new ATOM 0 HG3 LYS A 28 -6.087 -6.572 8.144 1.00 10.00 H new ATOM 0 HD2 LYS A 28 -7.063 -8.943 8.424 1.00 10.00 H new ATOM 0 HD3 LYS A 28 -8.366 -8.437 7.367 1.00 10.00 H new ATOM 0 HE2 LYS A 28 -6.735 -7.740 5.626 1.00 10.00 H new ATOM 0 HE3 LYS A 28 -5.396 -8.115 6.693 1.00 10.00 H new ATOM 0 HZ1 LYS A 28 -5.675 -9.890 5.174 1.00 10.00 H new ATOM 0 HZ2 LYS A 28 -6.176 -10.449 6.697 1.00 10.00 H new ATOM 0 HZ3 LYS A 28 -7.331 -10.033 5.523 1.00 10.00 H new ATOM 454 N ARG A 29 -4.708 -7.938 10.760 1.00 10.00 N ATOM 455 CA ARG A 29 -3.893 -9.162 10.924 1.00 10.00 C ATOM 456 C ARG A 29 -3.030 -9.234 12.190 1.00 10.00 C ATOM 457 O ARG A 29 -2.781 -10.350 12.642 1.00 10.00 O ATOM 458 CB ARG A 29 -3.021 -9.365 9.673 1.00 10.00 C ATOM 459 CG ARG A 29 -3.803 -10.048 8.548 1.00 10.00 C ATOM 460 CD ARG A 29 -3.971 -11.553 8.810 1.00 10.00 C ATOM 461 NE ARG A 29 -2.721 -12.273 8.536 1.00 10.00 N ATOM 462 CZ ARG A 29 -1.915 -12.910 9.373 1.00 10.00 C ATOM 463 NH1 ARG A 29 -2.056 -12.960 10.677 1.00 10.00 N ATOM 464 NH2 ARG A 29 -0.862 -13.523 8.919 1.00 10.00 N ATOM 0 H ARG A 29 -4.145 -7.099 10.622 1.00 10.00 H new ATOM 0 HA ARG A 29 -4.614 -9.970 11.047 1.00 10.00 H new ATOM 0 HB2 ARG A 29 -2.651 -8.400 9.326 1.00 10.00 H new ATOM 0 HB3 ARG A 29 -2.150 -9.968 9.930 1.00 10.00 H new ATOM 0 HG2 ARG A 29 -4.784 -9.583 8.452 1.00 10.00 H new ATOM 0 HG3 ARG A 29 -3.285 -9.898 7.601 1.00 10.00 H new ATOM 0 HD2 ARG A 29 -4.270 -11.715 9.846 1.00 10.00 H new ATOM 0 HD3 ARG A 29 -4.769 -11.949 8.182 1.00 10.00 H new ATOM 0 HE ARG A 29 -2.431 -12.285 7.558 1.00 10.00 H new ATOM 0 HH11 ARG A 29 -2.838 -12.482 11.124 1.00 10.00 H new ATOM 0 HH12 ARG A 29 -1.383 -13.477 11.243 1.00 10.00 H new ATOM 0 HH21 ARG A 29 -0.657 -13.513 7.920 1.00 10.00 H new ATOM 0 HH22 ARG A 29 -0.241 -14.014 9.562 1.00 10.00 H new ATOM 478 N VAL A 30 -2.614 -8.099 12.758 1.00 10.00 N ATOM 479 CA VAL A 30 -1.877 -7.967 14.025 1.00 10.00 C ATOM 480 C VAL A 30 -2.269 -6.645 14.705 1.00 10.00 C ATOM 481 O VAL A 30 -2.409 -5.613 14.049 1.00 10.00 O ATOM 482 CB VAL A 30 -0.356 -8.075 13.768 1.00 10.00 C ATOM 483 CG1 VAL A 30 0.197 -7.037 12.778 1.00 10.00 C ATOM 484 CG2 VAL A 30 0.457 -8.009 15.063 1.00 10.00 C ATOM 0 H VAL A 30 -2.791 -7.193 12.324 1.00 10.00 H new ATOM 0 HA VAL A 30 -2.141 -8.779 14.703 1.00 10.00 H new ATOM 0 HB VAL A 30 -0.241 -9.057 13.309 1.00 10.00 H new ATOM 0 HG11 VAL A 30 1.270 -7.185 12.657 1.00 10.00 H new ATOM 0 HG12 VAL A 30 -0.297 -7.155 11.813 1.00 10.00 H new ATOM 0 HG13 VAL A 30 0.010 -6.034 13.161 1.00 10.00 H new ATOM 0 HG21 VAL A 30 1.519 -8.089 14.830 1.00 10.00 H new ATOM 0 HG22 VAL A 30 0.266 -7.060 15.565 1.00 10.00 H new ATOM 0 HG23 VAL A 30 0.166 -8.831 15.718 1.00 10.00 H new ATOM 494 N SER A 31 -2.477 -6.660 16.025 1.00 10.00 N ATOM 495 CA SER A 31 -2.915 -5.477 16.767 1.00 10.00 C ATOM 496 C SER A 31 -1.771 -4.488 16.959 1.00 10.00 C ATOM 497 O SER A 31 -0.688 -4.862 17.393 1.00 10.00 O ATOM 498 CB SER A 31 -3.453 -5.881 18.142 1.00 10.00 C ATOM 499 OG SER A 31 -3.855 -4.733 18.872 1.00 10.00 O ATOM 0 H SER A 31 -2.347 -7.489 16.606 1.00 10.00 H new ATOM 0 HA SER A 31 -3.702 -5.000 16.184 1.00 10.00 H new ATOM 0 HB2 SER A 31 -4.298 -6.559 18.024 1.00 10.00 H new ATOM 0 HB3 SER A 31 -2.685 -6.422 18.696 1.00 10.00 H new ATOM 0 HG SER A 31 -4.198 -5.006 19.748 1.00 10.00 H new ATOM 505 N ALA A 32 -2.039 -3.196 16.756 1.00 10.00 N ATOM 506 CA ALA A 32 -1.144 -2.101 17.106 1.00 10.00 C ATOM 507 C ALA A 32 -0.635 -2.167 18.561 1.00 10.00 C ATOM 508 O ALA A 32 0.449 -1.670 18.834 1.00 10.00 O ATOM 509 CB ALA A 32 -1.845 -0.770 16.815 1.00 10.00 C ATOM 0 H ALA A 32 -2.910 -2.878 16.331 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.250 -2.191 16.488 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.182 0.055 17.074 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -2.096 -0.715 15.756 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -2.757 -0.702 17.408 1.00 10.00 H new ATOM 515 N LYS A 33 -1.356 -2.815 19.493 1.00 10.00 N ATOM 516 CA LYS A 33 -0.855 -3.073 20.856 1.00 10.00 C ATOM 517 C LYS A 33 0.375 -4.002 20.900 1.00 10.00 C ATOM 518 O LYS A 33 1.114 -3.977 21.879 1.00 10.00 O ATOM 519 CB LYS A 33 -2.016 -3.585 21.726 1.00 10.00 C ATOM 520 CG LYS A 33 -1.621 -3.733 23.207 1.00 10.00 C ATOM 521 CD LYS A 33 -2.825 -3.843 24.156 1.00 10.00 C ATOM 522 CE LYS A 33 -3.662 -2.557 24.249 1.00 10.00 C ATOM 523 NZ LYS A 33 -2.869 -1.413 24.761 1.00 10.00 N ATOM 0 H LYS A 33 -2.296 -3.173 19.325 1.00 10.00 H new ATOM 0 HA LYS A 33 -0.488 -2.132 21.265 1.00 10.00 H new ATOM 0 HB2 LYS A 33 -2.858 -2.897 21.645 1.00 10.00 H new ATOM 0 HB3 LYS A 33 -2.354 -4.549 21.345 1.00 10.00 H new ATOM 0 HG2 LYS A 33 -0.997 -4.619 23.321 1.00 10.00 H new ATOM 0 HG3 LYS A 33 -1.015 -2.876 23.500 1.00 10.00 H new ATOM 0 HD2 LYS A 33 -3.466 -4.659 23.822 1.00 10.00 H new ATOM 0 HD3 LYS A 33 -2.468 -4.106 25.152 1.00 10.00 H new ATOM 0 HE2 LYS A 33 -4.059 -2.311 23.264 1.00 10.00 H new ATOM 0 HE3 LYS A 33 -4.517 -2.727 24.904 1.00 10.00 H new ATOM 0 HZ1 LYS A 33 -3.504 -0.616 24.968 1.00 10.00 H new ATOM 0 HZ2 LYS A 33 -2.373 -1.696 25.630 1.00 10.00 H new ATOM 0 HZ3 LYS A 33 -2.173 -1.124 24.044 1.00 10.00 H new ATOM 537 N GLU A 34 0.612 -4.789 19.848 1.00 10.00 N ATOM 538 CA GLU A 34 1.767 -5.682 19.682 1.00 10.00 C ATOM 539 C GLU A 34 2.925 -5.000 18.920 1.00 10.00 C ATOM 540 O GLU A 34 4.041 -5.535 18.890 1.00 10.00 O ATOM 541 CB GLU A 34 1.321 -6.926 18.881 1.00 10.00 C ATOM 542 CG GLU A 34 0.101 -7.668 19.457 1.00 10.00 C ATOM 543 CD GLU A 34 -0.437 -8.702 18.460 1.00 10.00 C ATOM 544 OE1 GLU A 34 0.243 -9.733 18.276 1.00 10.00 O ATOM 545 OE2 GLU A 34 -1.516 -8.444 17.872 1.00 10.00 O ATOM 0 H GLU A 34 -0.023 -4.825 19.051 1.00 10.00 H new ATOM 0 HA GLU A 34 2.126 -5.952 20.675 1.00 10.00 H new ATOM 0 HB2 GLU A 34 1.092 -6.619 17.860 1.00 10.00 H new ATOM 0 HB3 GLU A 34 2.158 -7.622 18.825 1.00 10.00 H new ATOM 0 HG2 GLU A 34 0.379 -8.165 20.387 1.00 10.00 H new ATOM 0 HG3 GLU A 34 -0.683 -6.951 19.701 1.00 10.00 H new ATOM 552 N ILE A 35 2.649 -3.832 18.316 1.00 10.00 N ATOM 553 CA ILE A 35 3.484 -3.114 17.346 1.00 10.00 C ATOM 554 C ILE A 35 4.042 -1.829 17.979 1.00 10.00 C ATOM 555 O ILE A 35 3.299 -1.014 18.518 1.00 10.00 O ATOM 556 CB ILE A 35 2.618 -2.777 16.102 1.00 10.00 C ATOM 557 CG1 ILE A 35 1.938 -4.007 15.449 1.00 10.00 C ATOM 558 CG2 ILE A 35 3.377 -1.985 15.027 1.00 10.00 C ATOM 559 CD1 ILE A 35 2.861 -4.889 14.609 1.00 10.00 C ATOM 0 H ILE A 35 1.779 -3.334 18.507 1.00 10.00 H new ATOM 0 HA ILE A 35 4.327 -3.736 17.046 1.00 10.00 H new ATOM 0 HB ILE A 35 1.832 -2.143 16.512 1.00 10.00 H new ATOM 0 HG12 ILE A 35 1.495 -4.618 16.236 1.00 10.00 H new ATOM 0 HG13 ILE A 35 1.121 -3.658 14.818 1.00 10.00 H new ATOM 0 HG21 ILE A 35 2.713 -1.784 14.187 1.00 10.00 H new ATOM 0 HG22 ILE A 35 3.726 -1.042 15.448 1.00 10.00 H new ATOM 0 HG23 ILE A 35 4.232 -2.567 14.682 1.00 10.00 H new ATOM 0 HD11 ILE A 35 2.292 -5.722 14.196 1.00 10.00 H new ATOM 0 HD12 ILE A 35 3.286 -4.301 13.796 1.00 10.00 H new ATOM 0 HD13 ILE A 35 3.665 -5.275 15.236 1.00 10.00 H new ATOM 571 N VAL A 36 5.360 -1.631 17.899 1.00 10.00 N ATOM 572 CA VAL A 36 6.019 -0.368 18.251 1.00 10.00 C ATOM 573 C VAL A 36 5.682 0.715 17.221 1.00 10.00 C ATOM 574 O VAL A 36 5.226 1.787 17.609 1.00 10.00 O ATOM 575 CB VAL A 36 7.546 -0.580 18.366 1.00 10.00 C ATOM 576 CG1 VAL A 36 8.338 0.732 18.414 1.00 10.00 C ATOM 577 CG2 VAL A 36 7.867 -1.388 19.628 1.00 10.00 C ATOM 0 H VAL A 36 6.009 -2.352 17.584 1.00 10.00 H new ATOM 0 HA VAL A 36 5.650 -0.031 19.220 1.00 10.00 H new ATOM 0 HB VAL A 36 7.848 -1.117 17.466 1.00 10.00 H new ATOM 0 HG11 VAL A 36 9.402 0.512 18.495 1.00 10.00 H new ATOM 0 HG12 VAL A 36 8.153 1.302 17.503 1.00 10.00 H new ATOM 0 HG13 VAL A 36 8.022 1.316 19.278 1.00 10.00 H new ATOM 0 HG21 VAL A 36 8.945 -1.534 19.703 1.00 10.00 H new ATOM 0 HG22 VAL A 36 7.512 -0.848 20.506 1.00 10.00 H new ATOM 0 HG23 VAL A 36 7.373 -2.358 19.574 1.00 10.00 H new ATOM 587 N ASP A 37 5.892 0.440 15.924 1.00 10.00 N ATOM 588 CA ASP A 37 5.587 1.384 14.833 1.00 10.00 C ATOM 589 C ASP A 37 5.554 0.695 13.448 1.00 10.00 C ATOM 590 O ASP A 37 5.861 -0.494 13.336 1.00 10.00 O ATOM 591 CB ASP A 37 6.603 2.554 14.841 1.00 10.00 C ATOM 592 CG ASP A 37 5.976 3.891 14.418 1.00 10.00 C ATOM 593 OD1 ASP A 37 4.971 3.849 13.671 1.00 10.00 O ATOM 594 OD2 ASP A 37 6.506 4.936 14.854 1.00 10.00 O ATOM 0 H ASP A 37 6.279 -0.446 15.600 1.00 10.00 H new ATOM 0 HA ASP A 37 4.586 1.777 15.012 1.00 10.00 H new ATOM 0 HB2 ASP A 37 7.024 2.656 15.841 1.00 10.00 H new ATOM 0 HB3 ASP A 37 7.428 2.317 14.170 1.00 10.00 H new ATOM 599 N ILE A 38 5.229 1.449 12.387 1.00 10.00 N ATOM 600 CA ILE A 38 5.297 1.018 10.979 1.00 10.00 C ATOM 601 C ILE A 38 5.965 2.079 10.088 1.00 10.00 C ATOM 602 O ILE A 38 5.732 3.274 10.250 1.00 10.00 O ATOM 603 CB ILE A 38 3.904 0.627 10.412 1.00 10.00 C ATOM 604 CG1 ILE A 38 2.899 1.803 10.362 1.00 10.00 C ATOM 605 CG2 ILE A 38 3.309 -0.574 11.166 1.00 10.00 C ATOM 606 CD1 ILE A 38 1.496 1.420 9.867 1.00 10.00 C ATOM 0 H ILE A 38 4.900 2.409 12.487 1.00 10.00 H new ATOM 0 HA ILE A 38 5.919 0.123 10.965 1.00 10.00 H new ATOM 0 HB ILE A 38 4.080 0.337 9.376 1.00 10.00 H new ATOM 0 HG12 ILE A 38 2.814 2.234 11.359 1.00 10.00 H new ATOM 0 HG13 ILE A 38 3.300 2.580 9.712 1.00 10.00 H new ATOM 0 HG21 ILE A 38 2.335 -0.822 10.745 1.00 10.00 H new ATOM 0 HG22 ILE A 38 3.975 -1.431 11.068 1.00 10.00 H new ATOM 0 HG23 ILE A 38 3.195 -0.321 12.220 1.00 10.00 H new ATOM 0 HD11 ILE A 38 0.858 2.303 9.864 1.00 10.00 H new ATOM 0 HD12 ILE A 38 1.564 1.018 8.856 1.00 10.00 H new ATOM 0 HD13 ILE A 38 1.070 0.667 10.529 1.00 10.00 H new ATOM 618 N ASP A 39 6.747 1.626 9.102 1.00 10.00 N ATOM 619 CA ASP A 39 7.282 2.444 8.007 1.00 10.00 C ATOM 620 C ASP A 39 6.707 1.933 6.686 1.00 10.00 C ATOM 621 O ASP A 39 6.949 0.790 6.304 1.00 10.00 O ATOM 622 CB ASP A 39 8.821 2.391 7.935 1.00 10.00 C ATOM 623 CG ASP A 39 9.558 3.295 8.921 1.00 10.00 C ATOM 624 OD1 ASP A 39 9.104 4.442 9.116 1.00 10.00 O ATOM 625 OD2 ASP A 39 10.626 2.852 9.408 1.00 10.00 O ATOM 0 H ASP A 39 7.034 0.649 9.042 1.00 10.00 H new ATOM 0 HA ASP A 39 6.994 3.479 8.191 1.00 10.00 H new ATOM 0 HB2 ASP A 39 9.140 1.362 8.104 1.00 10.00 H new ATOM 0 HB3 ASP A 39 9.129 2.658 6.924 1.00 10.00 H new ATOM 630 N ILE A 40 5.958 2.778 5.970 1.00 10.00 N ATOM 631 CA ILE A 40 5.394 2.449 4.657 1.00 10.00 C ATOM 632 C ILE A 40 5.703 3.586 3.688 1.00 10.00 C ATOM 633 O ILE A 40 5.372 4.744 3.934 1.00 10.00 O ATOM 634 CB ILE A 40 3.883 2.141 4.761 1.00 10.00 C ATOM 635 CG1 ILE A 40 3.678 0.773 5.444 1.00 10.00 C ATOM 636 CG2 ILE A 40 3.229 2.095 3.365 1.00 10.00 C ATOM 637 CD1 ILE A 40 2.282 0.546 6.007 1.00 10.00 C ATOM 0 H ILE A 40 5.724 3.718 6.289 1.00 10.00 H new ATOM 0 HA ILE A 40 5.855 1.540 4.271 1.00 10.00 H new ATOM 0 HB ILE A 40 3.418 2.934 5.347 1.00 10.00 H new ATOM 0 HG12 ILE A 40 3.897 -0.014 4.723 1.00 10.00 H new ATOM 0 HG13 ILE A 40 4.402 0.674 6.253 1.00 10.00 H new ATOM 0 HG21 ILE A 40 2.166 1.876 3.468 1.00 10.00 H new ATOM 0 HG22 ILE A 40 3.355 3.059 2.872 1.00 10.00 H new ATOM 0 HG23 ILE A 40 3.703 1.317 2.767 1.00 10.00 H new ATOM 0 HD11 ILE A 40 2.231 -0.441 6.467 1.00 10.00 H new ATOM 0 HD12 ILE A 40 2.063 1.307 6.756 1.00 10.00 H new ATOM 0 HD13 ILE A 40 1.550 0.608 5.202 1.00 10.00 H new ATOM 649 N THR A 41 6.342 3.229 2.575 1.00 10.00 N ATOM 650 CA THR A 41 6.646 4.111 1.452 1.00 10.00 C ATOM 651 C THR A 41 5.975 3.569 0.194 1.00 10.00 C ATOM 652 O THR A 41 6.157 2.405 -0.164 1.00 10.00 O ATOM 653 CB THR A 41 8.167 4.208 1.260 1.00 10.00 C ATOM 654 OG1 THR A 41 8.737 4.786 2.410 1.00 10.00 O ATOM 655 CG2 THR A 41 8.566 5.085 0.072 1.00 10.00 C ATOM 0 H THR A 41 6.676 2.277 2.426 1.00 10.00 H new ATOM 0 HA THR A 41 6.264 5.112 1.654 1.00 10.00 H new ATOM 0 HB THR A 41 8.524 3.194 1.078 1.00 10.00 H new ATOM 0 HG1 THR A 41 9.708 4.850 2.297 1.00 10.00 H new ATOM 0 HG21 THR A 41 9.652 5.113 -0.011 1.00 10.00 H new ATOM 0 HG22 THR A 41 8.143 4.672 -0.844 1.00 10.00 H new ATOM 0 HG23 THR A 41 8.187 6.096 0.222 1.00 10.00 H new ATOM 663 N VAL A 42 5.234 4.440 -0.495 1.00 10.00 N ATOM 664 CA VAL A 42 4.704 4.192 -1.836 1.00 10.00 C ATOM 665 C VAL A 42 5.377 5.205 -2.757 1.00 10.00 C ATOM 666 O VAL A 42 5.309 6.408 -2.507 1.00 10.00 O ATOM 667 CB VAL A 42 3.168 4.329 -1.889 1.00 10.00 C ATOM 668 CG1 VAL A 42 2.658 4.099 -3.322 1.00 10.00 C ATOM 669 CG2 VAL A 42 2.450 3.347 -0.955 1.00 10.00 C ATOM 0 H VAL A 42 4.981 5.357 -0.127 1.00 10.00 H new ATOM 0 HA VAL A 42 4.917 3.169 -2.145 1.00 10.00 H new ATOM 0 HB VAL A 42 2.942 5.342 -1.557 1.00 10.00 H new ATOM 0 HG11 VAL A 42 1.573 4.199 -3.342 1.00 10.00 H new ATOM 0 HG12 VAL A 42 3.103 4.837 -3.989 1.00 10.00 H new ATOM 0 HG13 VAL A 42 2.936 3.098 -3.651 1.00 10.00 H new ATOM 0 HG21 VAL A 42 1.372 3.490 -1.035 1.00 10.00 H new ATOM 0 HG22 VAL A 42 2.702 2.325 -1.238 1.00 10.00 H new ATOM 0 HG23 VAL A 42 2.764 3.527 0.073 1.00 10.00 H new ATOM 679 N LEU A 43 6.020 4.715 -3.815 1.00 10.00 N ATOM 680 CA LEU A 43 6.703 5.515 -4.823 1.00 10.00 C ATOM 681 C LEU A 43 6.030 5.287 -6.175 1.00 10.00 C ATOM 682 O LEU A 43 5.648 4.168 -6.512 1.00 10.00 O ATOM 683 CB LEU A 43 8.204 5.150 -4.857 1.00 10.00 C ATOM 684 CG LEU A 43 9.117 6.362 -4.605 1.00 10.00 C ATOM 685 CD1 LEU A 43 9.016 6.858 -3.159 1.00 10.00 C ATOM 686 CD2 LEU A 43 10.574 5.989 -4.886 1.00 10.00 C ATOM 0 H LEU A 43 6.080 3.713 -3.998 1.00 10.00 H new ATOM 0 HA LEU A 43 6.633 6.575 -4.579 1.00 10.00 H new ATOM 0 HB2 LEU A 43 8.405 4.387 -4.105 1.00 10.00 H new ATOM 0 HB3 LEU A 43 8.446 4.714 -5.826 1.00 10.00 H new ATOM 0 HG LEU A 43 8.788 7.157 -5.275 1.00 10.00 H new ATOM 0 HD11 LEU A 43 9.676 7.715 -3.021 1.00 10.00 H new ATOM 0 HD12 LEU A 43 7.989 7.153 -2.947 1.00 10.00 H new ATOM 0 HD13 LEU A 43 9.312 6.059 -2.479 1.00 10.00 H new ATOM 0 HD21 LEU A 43 11.212 6.854 -4.705 1.00 10.00 H new ATOM 0 HD22 LEU A 43 10.874 5.173 -4.229 1.00 10.00 H new ATOM 0 HD23 LEU A 43 10.675 5.675 -5.925 1.00 10.00 H new ATOM 698 N VAL A 44 5.864 6.364 -6.939 1.00 10.00 N ATOM 699 CA VAL A 44 5.227 6.354 -8.255 1.00 10.00 C ATOM 700 C VAL A 44 6.012 7.284 -9.182 1.00 10.00 C ATOM 701 O VAL A 44 6.325 8.413 -8.807 1.00 10.00 O ATOM 702 CB VAL A 44 3.726 6.706 -8.122 1.00 10.00 C ATOM 703 CG1 VAL A 44 3.452 8.026 -7.389 1.00 10.00 C ATOM 704 CG2 VAL A 44 3.039 6.719 -9.494 1.00 10.00 C ATOM 0 H VAL A 44 6.177 7.292 -6.653 1.00 10.00 H new ATOM 0 HA VAL A 44 5.252 5.361 -8.703 1.00 10.00 H new ATOM 0 HB VAL A 44 3.302 5.915 -7.503 1.00 10.00 H new ATOM 0 HG11 VAL A 44 2.377 8.198 -7.339 1.00 10.00 H new ATOM 0 HG12 VAL A 44 3.858 7.972 -6.379 1.00 10.00 H new ATOM 0 HG13 VAL A 44 3.926 8.847 -7.928 1.00 10.00 H new ATOM 0 HG21 VAL A 44 1.985 6.969 -9.371 1.00 10.00 H new ATOM 0 HG22 VAL A 44 3.516 7.462 -10.133 1.00 10.00 H new ATOM 0 HG23 VAL A 44 3.127 5.735 -9.954 1.00 10.00 H new ATOM 714 N GLU A 45 6.353 6.808 -10.382 1.00 10.00 N ATOM 715 CA GLU A 45 7.142 7.560 -11.364 1.00 10.00 C ATOM 716 C GLU A 45 6.769 7.166 -12.797 1.00 10.00 C ATOM 717 O GLU A 45 6.180 6.109 -13.029 1.00 10.00 O ATOM 718 CB GLU A 45 8.657 7.415 -11.117 1.00 10.00 C ATOM 719 CG GLU A 45 9.225 6.018 -11.402 1.00 10.00 C ATOM 720 CD GLU A 45 10.754 6.025 -11.334 1.00 10.00 C ATOM 721 OE1 GLU A 45 11.367 6.389 -12.364 1.00 10.00 O ATOM 722 OE2 GLU A 45 11.290 5.670 -10.261 1.00 10.00 O ATOM 0 H GLU A 45 6.086 5.878 -10.704 1.00 10.00 H new ATOM 0 HA GLU A 45 6.896 8.614 -11.235 1.00 10.00 H new ATOM 0 HB2 GLU A 45 9.183 8.139 -11.739 1.00 10.00 H new ATOM 0 HB3 GLU A 45 8.868 7.673 -10.079 1.00 10.00 H new ATOM 0 HG2 GLU A 45 8.828 5.305 -10.679 1.00 10.00 H new ATOM 0 HG3 GLU A 45 8.902 5.684 -12.388 1.00 10.00 H new ATOM 729 N TYR A 46 7.089 8.027 -13.767 1.00 10.00 N ATOM 730 CA TYR A 46 6.707 7.812 -15.159 1.00 10.00 C ATOM 731 C TYR A 46 7.895 8.218 -16.039 1.00 10.00 C ATOM 732 O TYR A 46 8.172 9.402 -16.222 1.00 10.00 O ATOM 733 CB TYR A 46 5.416 8.601 -15.435 1.00 10.00 C ATOM 734 CG TYR A 46 4.585 8.161 -16.631 1.00 10.00 C ATOM 735 CD1 TYR A 46 5.160 7.767 -17.859 1.00 10.00 C ATOM 736 CD2 TYR A 46 3.186 8.112 -16.472 1.00 10.00 C ATOM 737 CE1 TYR A 46 4.338 7.306 -18.906 1.00 10.00 C ATOM 738 CE2 TYR A 46 2.359 7.658 -17.512 1.00 10.00 C ATOM 739 CZ TYR A 46 2.938 7.248 -18.734 1.00 10.00 C ATOM 740 OH TYR A 46 2.149 6.798 -19.747 1.00 10.00 O ATOM 0 H TYR A 46 7.616 8.886 -13.608 1.00 10.00 H new ATOM 0 HA TYR A 46 6.485 6.769 -15.385 1.00 10.00 H new ATOM 0 HB2 TYR A 46 4.788 8.546 -14.546 1.00 10.00 H new ATOM 0 HB3 TYR A 46 5.681 9.649 -15.573 1.00 10.00 H new ATOM 0 HD1 TYR A 46 6.230 7.819 -17.996 1.00 10.00 H new ATOM 0 HD2 TYR A 46 2.744 8.428 -15.538 1.00 10.00 H new ATOM 0 HE1 TYR A 46 4.780 6.996 -19.842 1.00 10.00 H new ATOM 0 HE2 TYR A 46 1.288 7.622 -17.379 1.00 10.00 H new ATOM 0 HH TYR A 46 1.211 6.820 -19.465 1.00 10.00 H new ATOM 750 N THR A 47 8.626 7.220 -16.539 1.00 10.00 N ATOM 751 CA THR A 47 9.872 7.384 -17.301 1.00 10.00 C ATOM 752 C THR A 47 9.772 6.532 -18.568 1.00 10.00 C ATOM 753 O THR A 47 10.202 5.382 -18.611 1.00 10.00 O ATOM 754 CB THR A 47 11.098 7.126 -16.402 1.00 10.00 C ATOM 755 OG1 THR A 47 12.276 7.338 -17.141 1.00 10.00 O ATOM 756 CG2 THR A 47 11.188 5.751 -15.730 1.00 10.00 C ATOM 0 H THR A 47 8.361 6.242 -16.423 1.00 10.00 H new ATOM 0 HA THR A 47 10.017 8.411 -17.637 1.00 10.00 H new ATOM 0 HB THR A 47 10.974 7.834 -15.583 1.00 10.00 H new ATOM 0 HG1 THR A 47 13.055 7.175 -16.569 1.00 10.00 H new ATOM 0 HG21 THR A 47 12.095 5.699 -15.127 1.00 10.00 H new ATOM 0 HG22 THR A 47 10.318 5.601 -15.091 1.00 10.00 H new ATOM 0 HG23 THR A 47 11.215 4.974 -16.494 1.00 10.00 H new ATOM 764 N ASP A 48 9.077 7.087 -19.574 1.00 10.00 N ATOM 765 CA ASP A 48 8.580 6.427 -20.801 1.00 10.00 C ATOM 766 C ASP A 48 7.517 5.340 -20.516 1.00 10.00 C ATOM 767 O ASP A 48 6.497 5.270 -21.197 1.00 10.00 O ATOM 768 CB ASP A 48 9.747 5.922 -21.668 1.00 10.00 C ATOM 769 CG ASP A 48 9.318 5.668 -23.115 1.00 10.00 C ATOM 770 OD1 ASP A 48 8.913 6.658 -23.766 1.00 10.00 O ATOM 771 OD2 ASP A 48 9.429 4.504 -23.559 1.00 10.00 O ATOM 0 H ASP A 48 8.828 8.076 -19.554 1.00 10.00 H new ATOM 0 HA ASP A 48 8.054 7.183 -21.383 1.00 10.00 H new ATOM 0 HB2 ASP A 48 10.554 6.655 -21.652 1.00 10.00 H new ATOM 0 HB3 ASP A 48 10.144 5.001 -21.241 1.00 10.00 H new ATOM 776 N GLU A 49 7.689 4.590 -19.425 1.00 10.00 N ATOM 777 CA GLU A 49 6.739 3.655 -18.831 1.00 10.00 C ATOM 778 C GLU A 49 6.340 4.143 -17.422 1.00 10.00 C ATOM 779 O GLU A 49 7.118 4.808 -16.731 1.00 10.00 O ATOM 780 CB GLU A 49 7.405 2.265 -18.800 1.00 10.00 C ATOM 781 CG GLU A 49 6.476 1.143 -18.321 1.00 10.00 C ATOM 782 CD GLU A 49 7.163 -0.225 -18.387 1.00 10.00 C ATOM 783 OE1 GLU A 49 8.044 -0.471 -17.528 1.00 10.00 O ATOM 784 OE2 GLU A 49 6.767 -1.042 -19.243 1.00 10.00 O ATOM 0 H GLU A 49 8.561 4.625 -18.897 1.00 10.00 H new ATOM 0 HA GLU A 49 5.821 3.594 -19.416 1.00 10.00 H new ATOM 0 HB2 GLU A 49 7.766 2.023 -19.800 1.00 10.00 H new ATOM 0 HB3 GLU A 49 8.277 2.305 -18.147 1.00 10.00 H new ATOM 0 HG2 GLU A 49 6.161 1.343 -17.297 1.00 10.00 H new ATOM 0 HG3 GLU A 49 5.575 1.129 -18.935 1.00 10.00 H new ATOM 791 N LEU A 50 5.128 3.783 -16.981 1.00 10.00 N ATOM 792 CA LEU A 50 4.603 4.079 -15.647 1.00 10.00 C ATOM 793 C LEU A 50 5.070 2.995 -14.666 1.00 10.00 C ATOM 794 O LEU A 50 4.878 1.803 -14.915 1.00 10.00 O ATOM 795 CB LEU A 50 3.063 4.114 -15.729 1.00 10.00 C ATOM 796 CG LEU A 50 2.325 4.224 -14.376 1.00 10.00 C ATOM 797 CD1 LEU A 50 2.635 5.523 -13.628 1.00 10.00 C ATOM 798 CD2 LEU A 50 0.814 4.151 -14.608 1.00 10.00 C ATOM 0 H LEU A 50 4.469 3.263 -17.561 1.00 10.00 H new ATOM 0 HA LEU A 50 4.968 5.043 -15.293 1.00 10.00 H new ATOM 0 HB2 LEU A 50 2.769 4.958 -16.352 1.00 10.00 H new ATOM 0 HB3 LEU A 50 2.723 3.211 -16.235 1.00 10.00 H new ATOM 0 HG LEU A 50 2.675 3.393 -13.763 1.00 10.00 H new ATOM 0 HD11 LEU A 50 2.087 5.540 -12.686 1.00 10.00 H new ATOM 0 HD12 LEU A 50 3.705 5.580 -13.426 1.00 10.00 H new ATOM 0 HD13 LEU A 50 2.335 6.375 -14.238 1.00 10.00 H new ATOM 0 HD21 LEU A 50 0.295 4.229 -13.653 1.00 10.00 H new ATOM 0 HD22 LEU A 50 0.505 4.971 -15.256 1.00 10.00 H new ATOM 0 HD23 LEU A 50 0.564 3.201 -15.080 1.00 10.00 H new ATOM 810 N LYS A 51 5.647 3.410 -13.534 1.00 10.00 N ATOM 811 CA LYS A 51 6.192 2.524 -12.503 1.00 10.00 C ATOM 812 C LYS A 51 5.627 2.900 -11.131 1.00 10.00 C ATOM 813 O LYS A 51 5.396 4.072 -10.831 1.00 10.00 O ATOM 814 CB LYS A 51 7.734 2.620 -12.484 1.00 10.00 C ATOM 815 CG LYS A 51 8.482 2.397 -13.816 1.00 10.00 C ATOM 816 CD LYS A 51 8.747 0.934 -14.204 1.00 10.00 C ATOM 817 CE LYS A 51 7.474 0.099 -14.348 1.00 10.00 C ATOM 818 NZ LYS A 51 7.745 -1.191 -15.017 1.00 10.00 N ATOM 0 H LYS A 51 5.750 4.398 -13.304 1.00 10.00 H new ATOM 0 HA LYS A 51 5.903 1.498 -12.733 1.00 10.00 H new ATOM 0 HB2 LYS A 51 8.004 3.607 -12.108 1.00 10.00 H new ATOM 0 HB3 LYS A 51 8.107 1.892 -11.764 1.00 10.00 H new ATOM 0 HG2 LYS A 51 7.907 2.865 -14.615 1.00 10.00 H new ATOM 0 HG3 LYS A 51 9.438 2.917 -13.764 1.00 10.00 H new ATOM 0 HD2 LYS A 51 9.296 0.910 -15.146 1.00 10.00 H new ATOM 0 HD3 LYS A 51 9.388 0.477 -13.450 1.00 10.00 H new ATOM 0 HE2 LYS A 51 7.044 -0.084 -13.363 1.00 10.00 H new ATOM 0 HE3 LYS A 51 6.734 0.658 -14.920 1.00 10.00 H new ATOM 0 HZ1 LYS A 51 7.108 -1.920 -14.636 1.00 10.00 H new ATOM 0 HZ2 LYS A 51 7.586 -1.092 -16.040 1.00 10.00 H new ATOM 0 HZ3 LYS A 51 8.732 -1.470 -14.846 1.00 10.00 H new ATOM 832 N VAL A 52 5.458 1.878 -10.289 1.00 10.00 N ATOM 833 CA VAL A 52 5.057 1.985 -8.885 1.00 10.00 C ATOM 834 C VAL A 52 5.953 1.044 -8.086 1.00 10.00 C ATOM 835 O VAL A 52 6.244 -0.065 -8.533 1.00 10.00 O ATOM 836 CB VAL A 52 3.562 1.629 -8.682 1.00 10.00 C ATOM 837 CG1 VAL A 52 3.144 1.589 -7.198 1.00 10.00 C ATOM 838 CG2 VAL A 52 2.652 2.647 -9.385 1.00 10.00 C ATOM 0 H VAL A 52 5.603 0.911 -10.580 1.00 10.00 H new ATOM 0 HA VAL A 52 5.172 3.014 -8.545 1.00 10.00 H new ATOM 0 HB VAL A 52 3.446 0.634 -9.111 1.00 10.00 H new ATOM 0 HG11 VAL A 52 2.087 1.334 -7.125 1.00 10.00 H new ATOM 0 HG12 VAL A 52 3.735 0.838 -6.674 1.00 10.00 H new ATOM 0 HG13 VAL A 52 3.314 2.566 -6.746 1.00 10.00 H new ATOM 0 HG21 VAL A 52 1.609 2.373 -9.226 1.00 10.00 H new ATOM 0 HG22 VAL A 52 2.833 3.641 -8.975 1.00 10.00 H new ATOM 0 HG23 VAL A 52 2.868 2.651 -10.453 1.00 10.00 H new ATOM 848 N ASP A 53 6.341 1.486 -6.895 1.00 10.00 N ATOM 849 CA ASP A 53 7.020 0.695 -5.879 1.00 10.00 C ATOM 850 C ASP A 53 6.273 0.867 -4.556 1.00 10.00 C ATOM 851 O ASP A 53 5.802 1.960 -4.232 1.00 10.00 O ATOM 852 CB ASP A 53 8.482 1.150 -5.746 1.00 10.00 C ATOM 853 CG ASP A 53 9.189 0.434 -4.591 1.00 10.00 C ATOM 854 OD1 ASP A 53 9.046 -0.807 -4.524 1.00 10.00 O ATOM 855 OD2 ASP A 53 9.821 1.136 -3.771 1.00 10.00 O ATOM 0 H ASP A 53 6.183 2.449 -6.600 1.00 10.00 H new ATOM 0 HA ASP A 53 7.024 -0.358 -6.160 1.00 10.00 H new ATOM 0 HB2 ASP A 53 9.012 0.952 -6.678 1.00 10.00 H new ATOM 0 HB3 ASP A 53 8.516 2.227 -5.583 1.00 10.00 H new ATOM 860 N ILE A 54 6.171 -0.217 -3.789 1.00 10.00 N ATOM 861 CA ILE A 54 5.654 -0.186 -2.430 1.00 10.00 C ATOM 862 C ILE A 54 6.615 -0.965 -1.540 1.00 10.00 C ATOM 863 O ILE A 54 6.844 -2.159 -1.751 1.00 10.00 O ATOM 864 CB ILE A 54 4.222 -0.745 -2.337 1.00 10.00 C ATOM 865 CG1 ILE A 54 3.248 -0.112 -3.356 1.00 10.00 C ATOM 866 CG2 ILE A 54 3.731 -0.505 -0.904 1.00 10.00 C ATOM 867 CD1 ILE A 54 1.818 -0.668 -3.296 1.00 10.00 C ATOM 0 H ILE A 54 6.449 -1.148 -4.100 1.00 10.00 H new ATOM 0 HA ILE A 54 5.589 0.849 -2.095 1.00 10.00 H new ATOM 0 HB ILE A 54 4.246 -1.807 -2.582 1.00 10.00 H new ATOM 0 HG12 ILE A 54 3.214 0.964 -3.187 1.00 10.00 H new ATOM 0 HG13 ILE A 54 3.642 -0.265 -4.361 1.00 10.00 H new ATOM 0 HG21 ILE A 54 2.716 -0.889 -0.798 1.00 10.00 H new ATOM 0 HG22 ILE A 54 4.389 -1.019 -0.203 1.00 10.00 H new ATOM 0 HG23 ILE A 54 3.739 0.564 -0.691 1.00 10.00 H new ATOM 0 HD11 ILE A 54 1.202 -0.169 -4.044 1.00 10.00 H new ATOM 0 HD12 ILE A 54 1.835 -1.739 -3.496 1.00 10.00 H new ATOM 0 HD13 ILE A 54 1.400 -0.491 -2.305 1.00 10.00 H new ATOM 879 N SER A 55 7.111 -0.282 -0.508 1.00 10.00 N ATOM 880 CA SER A 55 8.036 -0.817 0.481 1.00 10.00 C ATOM 881 C SER A 55 7.455 -0.565 1.869 1.00 10.00 C ATOM 882 O SER A 55 7.142 0.574 2.219 1.00 10.00 O ATOM 883 CB SER A 55 9.399 -0.145 0.308 1.00 10.00 C ATOM 884 OG SER A 55 10.316 -0.700 1.227 1.00 10.00 O ATOM 0 H SER A 55 6.869 0.694 -0.335 1.00 10.00 H new ATOM 0 HA SER A 55 8.174 -1.890 0.351 1.00 10.00 H new ATOM 0 HB2 SER A 55 9.759 -0.285 -0.711 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.310 0.929 0.470 1.00 10.00 H new ATOM 0 HG SER A 55 11.190 -0.271 1.116 1.00 10.00 H new ATOM 890 N ALA A 56 7.266 -1.637 2.640 1.00 10.00 N ATOM 891 CA ALA A 56 6.679 -1.592 3.971 1.00 10.00 C ATOM 892 C ALA A 56 7.542 -2.377 4.960 1.00 10.00 C ATOM 893 O ALA A 56 8.118 -3.406 4.611 1.00 10.00 O ATOM 894 CB ALA A 56 5.249 -2.147 3.915 1.00 10.00 C ATOM 0 H ALA A 56 7.524 -2.579 2.346 1.00 10.00 H new ATOM 0 HA ALA A 56 6.638 -0.560 4.318 1.00 10.00 H new ATOM 0 HB1 ALA A 56 4.807 -2.115 4.911 1.00 10.00 H new ATOM 0 HB2 ALA A 56 4.651 -1.543 3.232 1.00 10.00 H new ATOM 0 HB3 ALA A 56 5.272 -3.178 3.562 1.00 10.00 H new ATOM 900 N GLU A 57 7.574 -1.905 6.203 1.00 10.00 N ATOM 901 CA GLU A 57 8.187 -2.574 7.345 1.00 10.00 C ATOM 902 C GLU A 57 7.375 -2.268 8.607 1.00 10.00 C ATOM 903 O GLU A 57 6.800 -1.182 8.740 1.00 10.00 O ATOM 904 CB GLU A 57 9.655 -2.128 7.505 1.00 10.00 C ATOM 905 CG GLU A 57 10.426 -2.831 8.638 1.00 10.00 C ATOM 906 CD GLU A 57 10.428 -4.361 8.502 1.00 10.00 C ATOM 907 OE1 GLU A 57 9.352 -4.957 8.748 1.00 10.00 O ATOM 908 OE2 GLU A 57 11.493 -4.912 8.145 1.00 10.00 O ATOM 0 H GLU A 57 7.156 -1.008 6.452 1.00 10.00 H new ATOM 0 HA GLU A 57 8.186 -3.651 7.180 1.00 10.00 H new ATOM 0 HB2 GLU A 57 10.178 -2.305 6.565 1.00 10.00 H new ATOM 0 HB3 GLU A 57 9.676 -1.053 7.684 1.00 10.00 H new ATOM 0 HG2 GLU A 57 11.455 -2.471 8.648 1.00 10.00 H new ATOM 0 HG3 GLU A 57 9.983 -2.557 9.596 1.00 10.00 H new ATOM 915 N LEU A 58 7.332 -3.224 9.537 1.00 10.00 N ATOM 916 CA LEU A 58 6.741 -3.014 10.852 1.00 10.00 C ATOM 917 C LEU A 58 7.694 -3.415 11.972 1.00 10.00 C ATOM 918 O LEU A 58 8.457 -4.373 11.874 1.00 10.00 O ATOM 919 CB LEU A 58 5.331 -3.621 10.936 1.00 10.00 C ATOM 920 CG LEU A 58 5.158 -5.147 10.864 1.00 10.00 C ATOM 921 CD1 LEU A 58 5.516 -5.853 12.174 1.00 10.00 C ATOM 922 CD2 LEU A 58 3.677 -5.418 10.573 1.00 10.00 C ATOM 0 H LEU A 58 7.706 -4.162 9.396 1.00 10.00 H new ATOM 0 HA LEU A 58 6.589 -1.945 11.003 1.00 10.00 H new ATOM 0 HB2 LEU A 58 4.886 -3.286 11.873 1.00 10.00 H new ATOM 0 HB3 LEU A 58 4.740 -3.187 10.130 1.00 10.00 H new ATOM 0 HG LEU A 58 5.827 -5.530 10.094 1.00 10.00 H new ATOM 0 HD11 LEU A 58 5.373 -6.927 12.059 1.00 10.00 H new ATOM 0 HD12 LEU A 58 6.557 -5.650 12.424 1.00 10.00 H new ATOM 0 HD13 LEU A 58 4.873 -5.485 12.973 1.00 10.00 H new ATOM 0 HD21 LEU A 58 3.509 -6.493 10.513 1.00 10.00 H new ATOM 0 HD22 LEU A 58 3.066 -4.999 11.373 1.00 10.00 H new ATOM 0 HD23 LEU A 58 3.402 -4.955 9.626 1.00 10.00 H new ATOM 934 N TYR A 59 7.634 -2.648 13.055 1.00 10.00 N ATOM 935 CA TYR A 59 8.478 -2.817 14.221 1.00 10.00 C ATOM 936 C TYR A 59 7.602 -3.402 15.322 1.00 10.00 C ATOM 937 O TYR A 59 6.709 -2.727 15.832 1.00 10.00 O ATOM 938 CB TYR A 59 9.104 -1.468 14.599 1.00 10.00 C ATOM 939 CG TYR A 59 9.863 -0.801 13.464 1.00 10.00 C ATOM 940 CD1 TYR A 59 11.192 -1.172 13.175 1.00 10.00 C ATOM 941 CD2 TYR A 59 9.230 0.182 12.680 1.00 10.00 C ATOM 942 CE1 TYR A 59 11.892 -0.536 12.131 1.00 10.00 C ATOM 943 CE2 TYR A 59 9.926 0.825 11.647 1.00 10.00 C ATOM 944 CZ TYR A 59 11.266 0.477 11.371 1.00 10.00 C ATOM 945 OH TYR A 59 11.957 1.119 10.392 1.00 10.00 O ATOM 0 H TYR A 59 6.978 -1.872 13.144 1.00 10.00 H new ATOM 0 HA TYR A 59 9.310 -3.497 14.038 1.00 10.00 H new ATOM 0 HB2 TYR A 59 8.316 -0.796 14.940 1.00 10.00 H new ATOM 0 HB3 TYR A 59 9.783 -1.616 15.439 1.00 10.00 H new ATOM 0 HD1 TYR A 59 11.674 -1.945 13.755 1.00 10.00 H new ATOM 0 HD2 TYR A 59 8.200 0.443 12.876 1.00 10.00 H new ATOM 0 HE1 TYR A 59 12.910 -0.823 11.911 1.00 10.00 H new ATOM 0 HE2 TYR A 59 9.436 1.588 11.061 1.00 10.00 H new ATOM 0 HH TYR A 59 11.328 1.556 9.781 1.00 10.00 H new ATOM 955 N LEU A 60 7.838 -4.670 15.658 1.00 10.00 N ATOM 956 CA LEU A 60 7.148 -5.376 16.736 1.00 10.00 C ATOM 957 C LEU A 60 7.794 -5.038 18.079 1.00 10.00 C ATOM 958 O LEU A 60 8.989 -4.746 18.145 1.00 10.00 O ATOM 959 CB LEU A 60 7.269 -6.894 16.493 1.00 10.00 C ATOM 960 CG LEU A 60 6.265 -7.416 15.454 1.00 10.00 C ATOM 961 CD1 LEU A 60 6.721 -8.761 14.887 1.00 10.00 C ATOM 962 CD2 LEU A 60 4.872 -7.595 16.065 1.00 10.00 C ATOM 0 H LEU A 60 8.529 -5.247 15.178 1.00 10.00 H new ATOM 0 HA LEU A 60 6.101 -5.074 16.753 1.00 10.00 H new ATOM 0 HB2 LEU A 60 8.281 -7.124 16.160 1.00 10.00 H new ATOM 0 HB3 LEU A 60 7.116 -7.421 17.435 1.00 10.00 H new ATOM 0 HG LEU A 60 6.217 -6.674 14.657 1.00 10.00 H new ATOM 0 HD11 LEU A 60 5.995 -9.112 14.153 1.00 10.00 H new ATOM 0 HD12 LEU A 60 7.693 -8.643 14.408 1.00 10.00 H new ATOM 0 HD13 LEU A 60 6.800 -9.488 15.695 1.00 10.00 H new ATOM 0 HD21 LEU A 60 4.186 -7.965 15.304 1.00 10.00 H new ATOM 0 HD22 LEU A 60 4.924 -8.310 16.886 1.00 10.00 H new ATOM 0 HD23 LEU A 60 4.514 -6.637 16.441 1.00 10.00 H new ATOM 974 N ASP A 61 7.001 -5.094 19.152 1.00 10.00 N ATOM 975 CA ASP A 61 7.574 -5.058 20.500 1.00 10.00 C ATOM 976 C ASP A 61 8.442 -6.308 20.727 1.00 10.00 C ATOM 977 O ASP A 61 8.130 -7.387 20.217 1.00 10.00 O ATOM 978 CB ASP A 61 6.479 -4.916 21.568 1.00 10.00 C ATOM 979 CG ASP A 61 7.071 -4.792 22.977 1.00 10.00 C ATOM 980 OD1 ASP A 61 8.184 -4.225 23.085 1.00 10.00 O ATOM 981 OD2 ASP A 61 6.425 -5.295 23.922 1.00 10.00 O ATOM 0 H ASP A 61 5.984 -5.163 19.117 1.00 10.00 H new ATOM 0 HA ASP A 61 8.212 -4.179 20.591 1.00 10.00 H new ATOM 0 HB2 ASP A 61 5.871 -4.038 21.351 1.00 10.00 H new ATOM 0 HB3 ASP A 61 5.817 -5.781 21.527 1.00 10.00 H new ATOM 986 N GLU A 62 9.518 -6.187 21.514 1.00 10.00 N ATOM 987 CA GLU A 62 10.489 -7.264 21.801 1.00 10.00 C ATOM 988 C GLU A 62 9.918 -8.445 22.625 1.00 10.00 C ATOM 989 O GLU A 62 10.660 -9.284 23.133 1.00 10.00 O ATOM 990 CB GLU A 62 11.779 -6.671 22.403 1.00 10.00 C ATOM 991 CG GLU A 62 11.602 -5.980 23.764 1.00 10.00 C ATOM 992 CD GLU A 62 12.952 -5.490 24.309 1.00 10.00 C ATOM 993 OE1 GLU A 62 13.504 -4.534 23.717 1.00 10.00 O ATOM 994 OE2 GLU A 62 13.427 -6.078 25.307 1.00 10.00 O ATOM 0 H GLU A 62 9.749 -5.313 21.986 1.00 10.00 H new ATOM 0 HA GLU A 62 10.737 -7.725 20.845 1.00 10.00 H new ATOM 0 HB2 GLU A 62 12.513 -7.470 22.511 1.00 10.00 H new ATOM 0 HB3 GLU A 62 12.194 -5.951 21.698 1.00 10.00 H new ATOM 0 HG2 GLU A 62 10.919 -5.137 23.662 1.00 10.00 H new ATOM 0 HG3 GLU A 62 11.149 -6.674 24.473 1.00 10.00 H new ATOM 1001 N LEU A 63 8.588 -8.517 22.717 1.00 10.00 N ATOM 1002 CA LEU A 63 7.778 -9.523 23.394 1.00 10.00 C ATOM 1003 C LEU A 63 6.637 -10.057 22.491 1.00 10.00 C ATOM 1004 O LEU A 63 5.932 -10.979 22.896 1.00 10.00 O ATOM 1005 CB LEU A 63 7.267 -8.852 24.687 1.00 10.00 C ATOM 1006 CG LEU A 63 6.493 -9.735 25.684 1.00 10.00 C ATOM 1007 CD1 LEU A 63 7.298 -10.958 26.135 1.00 10.00 C ATOM 1008 CD2 LEU A 63 6.143 -8.900 26.919 1.00 10.00 C ATOM 0 H LEU A 63 8.001 -7.807 22.279 1.00 10.00 H new ATOM 0 HA LEU A 63 8.361 -10.412 23.633 1.00 10.00 H new ATOM 0 HB2 LEU A 63 8.125 -8.427 25.208 1.00 10.00 H new ATOM 0 HB3 LEU A 63 6.623 -8.020 24.403 1.00 10.00 H new ATOM 0 HG LEU A 63 5.598 -10.094 25.176 1.00 10.00 H new ATOM 0 HD11 LEU A 63 6.705 -11.545 26.837 1.00 10.00 H new ATOM 0 HD12 LEU A 63 7.546 -11.570 25.268 1.00 10.00 H new ATOM 0 HD13 LEU A 63 8.216 -10.630 26.622 1.00 10.00 H new ATOM 0 HD21 LEU A 63 5.595 -9.516 27.631 1.00 10.00 H new ATOM 0 HD22 LEU A 63 7.059 -8.536 27.384 1.00 10.00 H new ATOM 0 HD23 LEU A 63 5.526 -8.052 26.622 1.00 10.00 H new ATOM 1020 N SER A 64 6.460 -9.518 21.273 1.00 10.00 N ATOM 1021 CA SER A 64 5.398 -9.904 20.329 1.00 10.00 C ATOM 1022 C SER A 64 5.881 -10.946 19.310 1.00 10.00 C ATOM 1023 O SER A 64 7.049 -10.947 18.919 1.00 10.00 O ATOM 1024 CB SER A 64 4.939 -8.674 19.535 1.00 10.00 C ATOM 1025 OG SER A 64 4.423 -7.649 20.357 1.00 10.00 O ATOM 0 H SER A 64 7.067 -8.783 20.909 1.00 10.00 H new ATOM 0 HA SER A 64 4.588 -10.328 20.923 1.00 10.00 H new ATOM 0 HB2 SER A 64 5.780 -8.284 18.962 1.00 10.00 H new ATOM 0 HB3 SER A 64 4.176 -8.975 18.817 1.00 10.00 H new ATOM 0 HG SER A 64 4.498 -6.789 19.893 1.00 10.00 H new ATOM 1031 N ASP A 65 4.964 -11.775 18.795 1.00 10.00 N ATOM 1032 CA ASP A 65 5.243 -12.830 17.825 1.00 10.00 C ATOM 1033 C ASP A 65 4.102 -12.936 16.798 1.00 10.00 C ATOM 1034 O ASP A 65 3.111 -13.640 16.969 1.00 10.00 O ATOM 1035 CB ASP A 65 5.530 -14.162 18.553 1.00 10.00 C ATOM 1036 CG ASP A 65 4.404 -14.718 19.447 1.00 10.00 C ATOM 1037 OD1 ASP A 65 3.753 -13.925 20.167 1.00 10.00 O ATOM 1038 OD2 ASP A 65 4.262 -15.963 19.456 1.00 10.00 O ATOM 0 H ASP A 65 3.978 -11.725 19.053 1.00 10.00 H new ATOM 0 HA ASP A 65 6.142 -12.579 17.262 1.00 10.00 H new ATOM 0 HB2 ASP A 65 5.772 -14.915 17.803 1.00 10.00 H new ATOM 0 HB3 ASP A 65 6.419 -14.029 19.169 1.00 10.00 H new ATOM 1043 N ALA A 66 4.304 -12.241 15.678 1.00 10.00 N ATOM 1044 CA ALA A 66 3.459 -12.285 14.484 1.00 10.00 C ATOM 1045 C ALA A 66 3.979 -13.303 13.441 1.00 10.00 C ATOM 1046 O ALA A 66 4.975 -13.992 13.666 1.00 10.00 O ATOM 1047 CB ALA A 66 3.371 -10.864 13.912 1.00 10.00 C ATOM 0 H ALA A 66 5.095 -11.605 15.574 1.00 10.00 H new ATOM 0 HA ALA A 66 2.462 -12.633 14.753 1.00 10.00 H new ATOM 0 HB1 ALA A 66 2.745 -10.869 13.019 1.00 10.00 H new ATOM 0 HB2 ALA A 66 2.935 -10.198 14.657 1.00 10.00 H new ATOM 0 HB3 ALA A 66 4.370 -10.514 13.653 1.00 10.00 H new ATOM 1053 N ASP A 67 3.328 -13.385 12.272 1.00 10.00 N ATOM 1054 CA ASP A 67 3.622 -14.427 11.281 1.00 10.00 C ATOM 1055 C ASP A 67 4.794 -14.030 10.353 1.00 10.00 C ATOM 1056 O ASP A 67 4.908 -12.855 9.980 1.00 10.00 O ATOM 1057 CB ASP A 67 2.381 -14.681 10.414 1.00 10.00 C ATOM 1058 CG ASP A 67 1.167 -15.126 11.228 1.00 10.00 C ATOM 1059 OD1 ASP A 67 1.220 -16.239 11.788 1.00 10.00 O ATOM 1060 OD2 ASP A 67 0.177 -14.353 11.226 1.00 10.00 O ATOM 0 H ASP A 67 2.591 -12.738 11.990 1.00 10.00 H new ATOM 0 HA ASP A 67 3.904 -15.326 11.830 1.00 10.00 H new ATOM 0 HB2 ASP A 67 2.132 -13.770 9.869 1.00 10.00 H new ATOM 0 HB3 ASP A 67 2.613 -15.444 9.671 1.00 10.00 H new ATOM 1065 N PRO A 68 5.635 -14.995 9.912 1.00 10.00 N ATOM 1066 CA PRO A 68 6.858 -14.777 9.117 1.00 10.00 C ATOM 1067 C PRO A 68 6.589 -14.418 7.635 1.00 10.00 C ATOM 1068 O PRO A 68 7.197 -14.962 6.717 1.00 10.00 O ATOM 1069 CB PRO A 68 7.679 -16.062 9.307 1.00 10.00 C ATOM 1070 CG PRO A 68 6.603 -17.133 9.438 1.00 10.00 C ATOM 1071 CD PRO A 68 5.527 -16.412 10.247 1.00 10.00 C ATOM 0 HA PRO A 68 7.405 -13.899 9.461 1.00 10.00 H new ATOM 0 HB2 PRO A 68 8.337 -16.251 8.459 1.00 10.00 H new ATOM 0 HB3 PRO A 68 8.310 -16.012 10.194 1.00 10.00 H new ATOM 0 HG2 PRO A 68 6.232 -17.458 8.466 1.00 10.00 H new ATOM 0 HG3 PRO A 68 6.972 -18.021 9.952 1.00 10.00 H new ATOM 0 HD2 PRO A 68 4.536 -16.794 10.002 1.00 10.00 H new ATOM 0 HD3 PRO A 68 5.674 -16.570 11.315 1.00 10.00 H new ATOM 1079 N GLY A 69 5.650 -13.497 7.422 1.00 10.00 N ATOM 1080 CA GLY A 69 5.256 -12.920 6.132 1.00 10.00 C ATOM 1081 C GLY A 69 4.101 -11.907 6.219 1.00 10.00 C ATOM 1082 O GLY A 69 3.485 -11.595 5.200 1.00 10.00 O ATOM 0 H GLY A 69 5.108 -13.107 8.193 1.00 10.00 H new ATOM 0 HA2 GLY A 69 6.122 -12.429 5.687 1.00 10.00 H new ATOM 0 HA3 GLY A 69 4.966 -13.727 5.459 1.00 10.00 H new ATOM 1086 N ILE A 70 3.771 -11.412 7.427 1.00 10.00 N ATOM 1087 CA ILE A 70 2.574 -10.599 7.684 1.00 10.00 C ATOM 1088 C ILE A 70 2.635 -9.193 7.056 1.00 10.00 C ATOM 1089 O ILE A 70 1.608 -8.539 6.882 1.00 10.00 O ATOM 1090 CB ILE A 70 2.327 -10.550 9.209 1.00 10.00 C ATOM 1091 CG1 ILE A 70 0.839 -10.332 9.539 1.00 10.00 C ATOM 1092 CG2 ILE A 70 3.209 -9.503 9.917 1.00 10.00 C ATOM 1093 CD1 ILE A 70 0.549 -10.643 11.012 1.00 10.00 C ATOM 0 H ILE A 70 4.338 -11.569 8.260 1.00 10.00 H new ATOM 0 HA ILE A 70 1.727 -11.076 7.191 1.00 10.00 H new ATOM 0 HB ILE A 70 2.617 -11.527 9.596 1.00 10.00 H new ATOM 0 HG12 ILE A 70 0.562 -9.301 9.321 1.00 10.00 H new ATOM 0 HG13 ILE A 70 0.225 -10.969 8.902 1.00 10.00 H new ATOM 0 HG21 ILE A 70 2.995 -9.510 10.986 1.00 10.00 H new ATOM 0 HG22 ILE A 70 4.260 -9.743 9.755 1.00 10.00 H new ATOM 0 HG23 ILE A 70 2.996 -8.514 9.511 1.00 10.00 H new ATOM 0 HD11 ILE A 70 -0.509 -10.480 11.217 1.00 10.00 H new ATOM 0 HD12 ILE A 70 0.804 -11.682 11.221 1.00 10.00 H new ATOM 0 HD13 ILE A 70 1.146 -9.988 11.647 1.00 10.00 H new ATOM 1105 N VAL A 71 3.842 -8.739 6.702 1.00 10.00 N ATOM 1106 CA VAL A 71 4.083 -7.534 5.906 1.00 10.00 C ATOM 1107 C VAL A 71 3.836 -7.846 4.435 1.00 10.00 C ATOM 1108 O VAL A 71 3.038 -7.172 3.798 1.00 10.00 O ATOM 1109 CB VAL A 71 5.541 -7.081 6.072 1.00 10.00 C ATOM 1110 CG1 VAL A 71 5.909 -5.903 5.164 1.00 10.00 C ATOM 1111 CG2 VAL A 71 5.850 -6.680 7.518 1.00 10.00 C ATOM 0 H VAL A 71 4.703 -9.215 6.970 1.00 10.00 H new ATOM 0 HA VAL A 71 3.412 -6.744 6.244 1.00 10.00 H new ATOM 0 HB VAL A 71 6.138 -7.947 5.786 1.00 10.00 H new ATOM 0 HG11 VAL A 71 6.951 -5.629 5.328 1.00 10.00 H new ATOM 0 HG12 VAL A 71 5.768 -6.189 4.122 1.00 10.00 H new ATOM 0 HG13 VAL A 71 5.270 -5.051 5.396 1.00 10.00 H new ATOM 0 HG21 VAL A 71 6.891 -6.366 7.594 1.00 10.00 H new ATOM 0 HG22 VAL A 71 5.200 -5.857 7.814 1.00 10.00 H new ATOM 0 HG23 VAL A 71 5.679 -7.532 8.176 1.00 10.00 H new ATOM 1121 N ASP A 72 4.503 -8.874 3.904 1.00 10.00 N ATOM 1122 CA ASP A 72 4.461 -9.302 2.506 1.00 10.00 C ATOM 1123 C ASP A 72 3.023 -9.519 2.027 1.00 10.00 C ATOM 1124 O ASP A 72 2.642 -9.023 0.964 1.00 10.00 O ATOM 1125 CB ASP A 72 5.285 -10.596 2.351 1.00 10.00 C ATOM 1126 CG ASP A 72 6.663 -10.520 3.022 1.00 10.00 C ATOM 1127 OD1 ASP A 72 6.682 -10.450 4.276 1.00 10.00 O ATOM 1128 OD2 ASP A 72 7.666 -10.525 2.278 1.00 10.00 O ATOM 0 H ASP A 72 5.119 -9.460 4.468 1.00 10.00 H new ATOM 0 HA ASP A 72 4.891 -8.515 1.886 1.00 10.00 H new ATOM 0 HB2 ASP A 72 4.726 -11.428 2.778 1.00 10.00 H new ATOM 0 HB3 ASP A 72 5.416 -10.811 1.290 1.00 10.00 H new ATOM 1133 N GLU A 73 2.202 -10.179 2.855 1.00 10.00 N ATOM 1134 CA GLU A 73 0.773 -10.351 2.590 1.00 10.00 C ATOM 1135 C GLU A 73 0.008 -9.018 2.574 1.00 10.00 C ATOM 1136 O GLU A 73 -0.926 -8.857 1.788 1.00 10.00 O ATOM 1137 CB GLU A 73 0.166 -11.344 3.599 1.00 10.00 C ATOM 1138 CG GLU A 73 -0.024 -10.821 5.019 1.00 10.00 C ATOM 1139 CD GLU A 73 -0.724 -11.861 5.902 1.00 10.00 C ATOM 1140 OE1 GLU A 73 -0.037 -12.684 6.547 1.00 10.00 O ATOM 1141 OE2 GLU A 73 -1.973 -11.830 5.990 1.00 10.00 O ATOM 0 H GLU A 73 2.513 -10.608 3.727 1.00 10.00 H new ATOM 0 HA GLU A 73 0.670 -10.764 1.587 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -0.803 -11.670 3.220 1.00 10.00 H new ATOM 0 HB3 GLU A 73 0.805 -12.226 3.640 1.00 10.00 H new ATOM 0 HG2 GLU A 73 0.945 -10.568 5.449 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -0.612 -9.904 4.996 1.00 10.00 H new ATOM 1148 N ALA A 74 0.424 -8.043 3.394 1.00 10.00 N ATOM 1149 CA ALA A 74 -0.183 -6.711 3.389 1.00 10.00 C ATOM 1150 C ALA A 74 0.213 -5.921 2.133 1.00 10.00 C ATOM 1151 O ALA A 74 -0.633 -5.249 1.540 1.00 10.00 O ATOM 1152 CB ALA A 74 0.194 -5.944 4.665 1.00 10.00 C ATOM 0 H ALA A 74 1.180 -8.155 4.069 1.00 10.00 H new ATOM 0 HA ALA A 74 -1.266 -6.834 3.370 1.00 10.00 H new ATOM 0 HB1 ALA A 74 -0.266 -4.956 4.645 1.00 10.00 H new ATOM 0 HB2 ALA A 74 -0.162 -6.492 5.537 1.00 10.00 H new ATOM 0 HB3 ALA A 74 1.278 -5.839 4.720 1.00 10.00 H new ATOM 1158 N VAL A 75 1.477 -6.020 1.694 1.00 10.00 N ATOM 1159 CA VAL A 75 1.925 -5.335 0.478 1.00 10.00 C ATOM 1160 C VAL A 75 1.316 -5.980 -0.772 1.00 10.00 C ATOM 1161 O VAL A 75 0.824 -5.252 -1.628 1.00 10.00 O ATOM 1162 CB VAL A 75 3.458 -5.223 0.355 1.00 10.00 C ATOM 1163 CG1 VAL A 75 3.780 -3.998 -0.505 1.00 10.00 C ATOM 1164 CG2 VAL A 75 4.189 -5.009 1.687 1.00 10.00 C ATOM 0 H VAL A 75 2.201 -6.565 2.162 1.00 10.00 H new ATOM 0 HA VAL A 75 1.559 -4.311 0.560 1.00 10.00 H new ATOM 0 HB VAL A 75 3.794 -6.170 -0.067 1.00 10.00 H new ATOM 0 HG11 VAL A 75 4.861 -3.898 -0.606 1.00 10.00 H new ATOM 0 HG12 VAL A 75 3.333 -4.118 -1.492 1.00 10.00 H new ATOM 0 HG13 VAL A 75 3.376 -3.104 -0.030 1.00 10.00 H new ATOM 0 HG21 VAL A 75 5.262 -4.942 1.507 1.00 10.00 H new ATOM 0 HG22 VAL A 75 3.840 -4.086 2.149 1.00 10.00 H new ATOM 0 HG23 VAL A 75 3.985 -5.848 2.353 1.00 10.00 H new ATOM 1174 N ASP A 76 1.230 -7.317 -0.857 1.00 10.00 N ATOM 1175 CA ASP A 76 0.479 -8.007 -1.917 1.00 10.00 C ATOM 1176 C ASP A 76 -0.998 -7.593 -1.914 1.00 10.00 C ATOM 1177 O ASP A 76 -1.549 -7.326 -2.981 1.00 10.00 O ATOM 1178 CB ASP A 76 0.599 -9.531 -1.769 1.00 10.00 C ATOM 1179 CG ASP A 76 -0.220 -10.263 -2.844 1.00 10.00 C ATOM 1180 OD1 ASP A 76 0.182 -10.198 -4.027 1.00 10.00 O ATOM 1181 OD2 ASP A 76 -1.257 -10.860 -2.480 1.00 10.00 O ATOM 0 H ASP A 76 1.678 -7.949 -0.194 1.00 10.00 H new ATOM 0 HA ASP A 76 0.915 -7.712 -2.871 1.00 10.00 H new ATOM 0 HB2 ASP A 76 1.646 -9.824 -1.844 1.00 10.00 H new ATOM 0 HB3 ASP A 76 0.254 -9.831 -0.779 1.00 10.00 H new ATOM 1186 N ALA A 77 -1.621 -7.425 -0.740 1.00 10.00 N ATOM 1187 CA ALA A 77 -2.980 -6.905 -0.673 1.00 10.00 C ATOM 1188 C ALA A 77 -3.077 -5.473 -1.221 1.00 10.00 C ATOM 1189 O ALA A 77 -4.036 -5.171 -1.928 1.00 10.00 O ATOM 1190 CB ALA A 77 -3.496 -7.000 0.759 1.00 10.00 C ATOM 0 H ALA A 77 -1.204 -7.641 0.165 1.00 10.00 H new ATOM 0 HA ALA A 77 -3.615 -7.517 -1.313 1.00 10.00 H new ATOM 0 HB1 ALA A 77 -4.513 -6.610 0.806 1.00 10.00 H new ATOM 0 HB2 ALA A 77 -3.492 -8.042 1.079 1.00 10.00 H new ATOM 0 HB3 ALA A 77 -2.853 -6.416 1.417 1.00 10.00 H new ATOM 1196 N ALA A 78 -2.081 -4.609 -0.980 1.00 10.00 N ATOM 1197 CA ALA A 78 -2.002 -3.300 -1.628 1.00 10.00 C ATOM 1198 C ALA A 78 -1.772 -3.389 -3.145 1.00 10.00 C ATOM 1199 O ALA A 78 -2.471 -2.708 -3.893 1.00 10.00 O ATOM 1200 CB ALA A 78 -0.930 -2.451 -0.946 1.00 10.00 C ATOM 0 H ALA A 78 -1.314 -4.799 -0.335 1.00 10.00 H new ATOM 0 HA ALA A 78 -2.972 -2.817 -1.509 1.00 10.00 H new ATOM 0 HB1 ALA A 78 -0.874 -1.477 -1.431 1.00 10.00 H new ATOM 0 HB2 ALA A 78 -1.185 -2.318 0.105 1.00 10.00 H new ATOM 0 HB3 ALA A 78 0.035 -2.951 -1.025 1.00 10.00 H new ATOM 1206 N TYR A 79 -0.864 -4.249 -3.621 1.00 10.00 N ATOM 1207 CA TYR A 79 -0.651 -4.454 -5.057 1.00 10.00 C ATOM 1208 C TYR A 79 -1.922 -4.974 -5.752 1.00 10.00 C ATOM 1209 O TYR A 79 -2.314 -4.453 -6.798 1.00 10.00 O ATOM 1210 CB TYR A 79 0.524 -5.427 -5.277 1.00 10.00 C ATOM 1211 CG TYR A 79 1.905 -4.855 -4.992 1.00 10.00 C ATOM 1212 CD1 TYR A 79 2.388 -3.803 -5.797 1.00 10.00 C ATOM 1213 CD2 TYR A 79 2.725 -5.391 -3.972 1.00 10.00 C ATOM 1214 CE1 TYR A 79 3.670 -3.266 -5.575 1.00 10.00 C ATOM 1215 CE2 TYR A 79 4.017 -4.861 -3.759 1.00 10.00 C ATOM 1216 CZ TYR A 79 4.486 -3.785 -4.548 1.00 10.00 C ATOM 1217 OH TYR A 79 5.705 -3.218 -4.323 1.00 10.00 O ATOM 0 H TYR A 79 -0.261 -4.818 -3.027 1.00 10.00 H new ATOM 0 HA TYR A 79 -0.408 -3.490 -5.505 1.00 10.00 H new ATOM 0 HB2 TYR A 79 0.373 -6.301 -4.644 1.00 10.00 H new ATOM 0 HB3 TYR A 79 0.499 -5.773 -6.310 1.00 10.00 H new ATOM 0 HD1 TYR A 79 1.770 -3.407 -6.589 1.00 10.00 H new ATOM 0 HD2 TYR A 79 2.365 -6.203 -3.358 1.00 10.00 H new ATOM 0 HE1 TYR A 79 4.029 -2.456 -6.192 1.00 10.00 H new ATOM 0 HE2 TYR A 79 4.650 -5.279 -2.990 1.00 10.00 H new ATOM 0 HH TYR A 79 5.814 -3.045 -3.364 1.00 10.00 H new ATOM 1227 N ARG A 80 -2.628 -5.933 -5.139 1.00 10.00 N ATOM 1228 CA ARG A 80 -3.896 -6.460 -5.657 1.00 10.00 C ATOM 1229 C ARG A 80 -5.057 -5.475 -5.510 1.00 10.00 C ATOM 1230 O ARG A 80 -5.903 -5.420 -6.400 1.00 10.00 O ATOM 1231 CB ARG A 80 -4.197 -7.821 -5.012 1.00 10.00 C ATOM 1232 CG ARG A 80 -3.180 -8.867 -5.500 1.00 10.00 C ATOM 1233 CD ARG A 80 -3.587 -10.296 -5.118 1.00 10.00 C ATOM 1234 NE ARG A 80 -3.308 -11.241 -6.216 1.00 10.00 N ATOM 1235 CZ ARG A 80 -3.990 -11.341 -7.354 1.00 10.00 C ATOM 1236 NH1 ARG A 80 -5.056 -10.609 -7.593 1.00 10.00 N ATOM 1237 NH2 ARG A 80 -3.606 -12.175 -8.291 1.00 10.00 N ATOM 0 H ARG A 80 -2.333 -6.367 -4.264 1.00 10.00 H new ATOM 0 HA ARG A 80 -3.783 -6.605 -6.731 1.00 10.00 H new ATOM 0 HB2 ARG A 80 -4.153 -7.737 -3.926 1.00 10.00 H new ATOM 0 HB3 ARG A 80 -5.208 -8.138 -5.266 1.00 10.00 H new ATOM 0 HG2 ARG A 80 -3.081 -8.797 -6.583 1.00 10.00 H new ATOM 0 HG3 ARG A 80 -2.201 -8.645 -5.076 1.00 10.00 H new ATOM 0 HD2 ARG A 80 -3.046 -10.604 -4.223 1.00 10.00 H new ATOM 0 HD3 ARG A 80 -4.649 -10.322 -4.873 1.00 10.00 H new ATOM 0 HE ARG A 80 -2.520 -11.876 -6.091 1.00 10.00 H new ATOM 0 HH11 ARG A 80 -5.382 -9.940 -6.895 1.00 10.00 H new ATOM 0 HH12 ARG A 80 -5.556 -10.710 -8.476 1.00 10.00 H new ATOM 0 HH21 ARG A 80 -2.778 -12.754 -8.150 1.00 10.00 H new ATOM 0 HH22 ARG A 80 -4.135 -12.245 -9.160 1.00 10.00 H new ATOM 1251 N SER A 81 -5.066 -4.652 -4.456 1.00 10.00 N ATOM 1252 CA SER A 81 -5.997 -3.528 -4.308 1.00 10.00 C ATOM 1253 C SER A 81 -5.779 -2.494 -5.415 1.00 10.00 C ATOM 1254 O SER A 81 -6.750 -2.070 -6.032 1.00 10.00 O ATOM 1255 CB SER A 81 -5.827 -2.880 -2.928 1.00 10.00 C ATOM 1256 OG SER A 81 -6.717 -1.796 -2.759 1.00 10.00 O ATOM 0 H SER A 81 -4.420 -4.749 -3.673 1.00 10.00 H new ATOM 0 HA SER A 81 -7.015 -3.908 -4.394 1.00 10.00 H new ATOM 0 HB2 SER A 81 -6.003 -3.623 -2.150 1.00 10.00 H new ATOM 0 HB3 SER A 81 -4.800 -2.533 -2.810 1.00 10.00 H new ATOM 0 HG SER A 81 -6.366 -1.009 -3.225 1.00 10.00 H new ATOM 1262 N LEU A 82 -4.523 -2.150 -5.741 1.00 10.00 N ATOM 1263 CA LEU A 82 -4.207 -1.256 -6.856 1.00 10.00 C ATOM 1264 C LEU A 82 -4.688 -1.826 -8.199 1.00 10.00 C ATOM 1265 O LEU A 82 -5.367 -1.114 -8.939 1.00 10.00 O ATOM 1266 CB LEU A 82 -2.696 -0.956 -6.862 1.00 10.00 C ATOM 1267 CG LEU A 82 -2.224 -0.021 -7.994 1.00 10.00 C ATOM 1268 CD1 LEU A 82 -2.959 1.325 -8.019 1.00 10.00 C ATOM 1269 CD2 LEU A 82 -0.726 0.248 -7.831 1.00 10.00 C ATOM 0 H LEU A 82 -3.702 -2.486 -5.237 1.00 10.00 H new ATOM 0 HA LEU A 82 -4.745 -0.318 -6.717 1.00 10.00 H new ATOM 0 HB2 LEU A 82 -2.425 -0.510 -5.905 1.00 10.00 H new ATOM 0 HB3 LEU A 82 -2.154 -1.898 -6.939 1.00 10.00 H new ATOM 0 HG LEU A 82 -2.444 -0.530 -8.932 1.00 10.00 H new ATOM 0 HD11 LEU A 82 -2.577 1.933 -8.840 1.00 10.00 H new ATOM 0 HD12 LEU A 82 -4.026 1.154 -8.160 1.00 10.00 H new ATOM 0 HD13 LEU A 82 -2.796 1.846 -7.076 1.00 10.00 H new ATOM 0 HD21 LEU A 82 -0.386 0.909 -8.629 1.00 10.00 H new ATOM 0 HD22 LEU A 82 -0.544 0.721 -6.866 1.00 10.00 H new ATOM 0 HD23 LEU A 82 -0.180 -0.694 -7.882 1.00 10.00 H new ATOM 1281 N GLU A 83 -4.425 -3.104 -8.500 1.00 10.00 N ATOM 1282 CA GLU A 83 -4.923 -3.688 -9.755 1.00 10.00 C ATOM 1283 C GLU A 83 -6.459 -3.755 -9.774 1.00 10.00 C ATOM 1284 O GLU A 83 -7.071 -3.313 -10.746 1.00 10.00 O ATOM 1285 CB GLU A 83 -4.318 -5.085 -9.974 1.00 10.00 C ATOM 1286 CG GLU A 83 -2.798 -5.081 -10.213 1.00 10.00 C ATOM 1287 CD GLU A 83 -2.407 -4.415 -11.539 1.00 10.00 C ATOM 1288 OE1 GLU A 83 -2.380 -3.163 -11.573 1.00 10.00 O ATOM 1289 OE2 GLU A 83 -2.132 -5.165 -12.501 1.00 10.00 O ATOM 0 H GLU A 83 -3.886 -3.739 -7.912 1.00 10.00 H new ATOM 0 HA GLU A 83 -4.610 -3.038 -10.573 1.00 10.00 H new ATOM 0 HB2 GLU A 83 -4.537 -5.704 -9.104 1.00 10.00 H new ATOM 0 HB3 GLU A 83 -4.808 -5.552 -10.829 1.00 10.00 H new ATOM 0 HG2 GLU A 83 -2.307 -4.560 -9.391 1.00 10.00 H new ATOM 0 HG3 GLU A 83 -2.431 -6.107 -10.205 1.00 10.00 H new ATOM 1296 N SER A 84 -7.097 -4.131 -8.654 1.00 10.00 N ATOM 1297 CA SER A 84 -8.561 -4.133 -8.535 1.00 10.00 C ATOM 1298 C SER A 84 -9.179 -2.728 -8.546 1.00 10.00 C ATOM 1299 O SER A 84 -10.385 -2.605 -8.763 1.00 10.00 O ATOM 1300 CB SER A 84 -8.999 -4.859 -7.262 1.00 10.00 C ATOM 1301 OG SER A 84 -10.413 -4.919 -7.223 1.00 10.00 O ATOM 0 H SER A 84 -6.614 -4.440 -7.811 1.00 10.00 H new ATOM 0 HA SER A 84 -8.926 -4.658 -9.418 1.00 10.00 H new ATOM 0 HB2 SER A 84 -8.580 -5.865 -7.240 1.00 10.00 H new ATOM 0 HB3 SER A 84 -8.621 -4.337 -6.383 1.00 10.00 H new ATOM 0 HG SER A 84 -10.786 -4.122 -7.655 1.00 10.00 H new ATOM 1307 N PHE A 85 -8.392 -1.686 -8.267 1.00 10.00 N ATOM 1308 CA PHE A 85 -8.773 -0.284 -8.382 1.00 10.00 C ATOM 1309 C PHE A 85 -8.666 0.203 -9.832 1.00 10.00 C ATOM 1310 O PHE A 85 -9.585 0.874 -10.303 1.00 10.00 O ATOM 1311 CB PHE A 85 -7.903 0.515 -7.408 1.00 10.00 C ATOM 1312 CG PHE A 85 -8.067 2.016 -7.423 1.00 10.00 C ATOM 1313 CD1 PHE A 85 -9.159 2.609 -6.768 1.00 10.00 C ATOM 1314 CD2 PHE A 85 -7.075 2.820 -8.010 1.00 10.00 C ATOM 1315 CE1 PHE A 85 -9.222 4.008 -6.639 1.00 10.00 C ATOM 1316 CE2 PHE A 85 -7.140 4.218 -7.891 1.00 10.00 C ATOM 1317 CZ PHE A 85 -8.199 4.810 -7.178 1.00 10.00 C ATOM 0 H PHE A 85 -7.433 -1.806 -7.942 1.00 10.00 H new ATOM 0 HA PHE A 85 -9.820 -0.141 -8.114 1.00 10.00 H new ATOM 0 HB2 PHE A 85 -8.110 0.161 -6.398 1.00 10.00 H new ATOM 0 HB3 PHE A 85 -6.858 0.285 -7.618 1.00 10.00 H new ATOM 0 HD1 PHE A 85 -9.948 1.992 -6.364 1.00 10.00 H new ATOM 0 HD2 PHE A 85 -6.262 2.362 -8.553 1.00 10.00 H new ATOM 0 HE1 PHE A 85 -10.055 4.466 -6.127 1.00 10.00 H new ATOM 0 HE2 PHE A 85 -6.380 4.836 -8.345 1.00 10.00 H new ATOM 0 HZ PHE A 85 -8.227 5.881 -7.044 1.00 10.00 H new ATOM 1327 N LEU A 86 -7.620 -0.182 -10.583 1.00 10.00 N ATOM 1328 CA LEU A 86 -7.600 0.049 -12.034 1.00 10.00 C ATOM 1329 C LEU A 86 -8.680 -0.768 -12.757 1.00 10.00 C ATOM 1330 O LEU A 86 -9.234 -0.271 -13.737 1.00 10.00 O ATOM 1331 CB LEU A 86 -6.224 -0.198 -12.675 1.00 10.00 C ATOM 1332 CG LEU A 86 -5.165 0.918 -12.515 1.00 10.00 C ATOM 1333 CD1 LEU A 86 -5.700 2.336 -12.771 1.00 10.00 C ATOM 1334 CD2 LEU A 86 -4.494 0.925 -11.145 1.00 10.00 C ATOM 0 H LEU A 86 -6.790 -0.647 -10.215 1.00 10.00 H new ATOM 0 HA LEU A 86 -7.821 1.109 -12.158 1.00 10.00 H new ATOM 0 HB2 LEU A 86 -5.814 -1.117 -12.255 1.00 10.00 H new ATOM 0 HB3 LEU A 86 -6.373 -0.374 -13.740 1.00 10.00 H new ATOM 0 HG LEU A 86 -4.437 0.666 -13.286 1.00 10.00 H new ATOM 0 HD11 LEU A 86 -4.895 3.058 -12.638 1.00 10.00 H new ATOM 0 HD12 LEU A 86 -6.082 2.402 -13.790 1.00 10.00 H new ATOM 0 HD13 LEU A 86 -6.503 2.554 -12.067 1.00 10.00 H new ATOM 0 HD21 LEU A 86 -3.763 1.732 -11.102 1.00 10.00 H new ATOM 0 HD22 LEU A 86 -5.247 1.076 -10.372 1.00 10.00 H new ATOM 0 HD23 LEU A 86 -3.992 -0.028 -10.981 1.00 10.00 H new