USER MOD reduce.3.24.130724 H: found=0, std=0, add=605, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 605 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 22 GLN : amide:sc= -0.51 K(o=-0.26,f=-2.6!) USER MOD Set 1.2: A 85 GLN : amide:sc= 0.252 K(o=-0.26,f=-1.1) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.487 K(o=0.51,f=-5.4!) USER MOD Set 2.2: A 44 TYR OH : rot -16:sc= 0.0235 USER MOD Set 3.1: A 14 TYR OH : rot 166:sc= 0.397 USER MOD Set 3.2: A 32 LYS NZ :NH3+ -112:sc= 1.54 (180deg=-0.196) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0.786 K(o=0.79,f=-5.4!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -127:sc= 0.428 USER MOD Single : A 36 SER OG : rot -96:sc= 0.535 USER MOD Single : A 37 MET CE :methyl -136:sc= 0 (180deg=-0.0245) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -138:sc= -0.839 (180deg=-4.41!) USER MOD Single : A 42 LYS NZ :NH3+ -168:sc= -0.0145 (180deg=-0.165) USER MOD Single : A 43 SER OG : rot -97:sc= 0.289 USER MOD Single : A 48 THR OG1 : rot -16:sc= 0.395 USER MOD Single : A 53 ASN : amide:sc= -0.013 K(o=-0.013,f=-1.2!) USER MOD Single : A 54 SER OG : rot -174:sc= -1.62! USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0429 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl -133:sc= -0.0211 (180deg=-0.635) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= -0.0806 K(o=-0.081,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 157 N TYR A 14 2.330 4.597 2.571 1.00 0.00 N ATOM 158 CA TYR A 14 1.416 3.672 3.192 1.00 0.00 C ATOM 159 C TYR A 14 1.499 2.341 2.505 1.00 0.00 C ATOM 160 O TYR A 14 1.972 2.250 1.379 1.00 0.00 O ATOM 161 CB TYR A 14 -0.021 4.202 3.188 1.00 0.00 C ATOM 162 CG TYR A 14 -0.220 5.385 4.099 1.00 0.00 C ATOM 163 CD1 TYR A 14 0.019 6.670 3.663 1.00 0.00 C ATOM 164 CD2 TYR A 14 -0.639 5.206 5.406 1.00 0.00 C ATOM 165 CE1 TYR A 14 -0.149 7.753 4.504 1.00 0.00 C ATOM 166 CE2 TYR A 14 -0.815 6.277 6.253 1.00 0.00 C ATOM 167 CZ TYR A 14 -0.568 7.547 5.798 1.00 0.00 C ATOM 168 OH TYR A 14 -0.728 8.616 6.649 1.00 0.00 O ATOM 0 HA TYR A 14 1.707 3.554 4.236 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -0.294 4.485 2.171 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -0.697 3.402 3.489 1.00 0.00 H new ATOM 0 HD1 TYR A 14 0.343 6.833 2.646 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.832 4.207 5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.047 8.754 4.148 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -1.145 6.118 7.269 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.239 8.334 7.436 1.00 0.00 H new ATOM 178 N ILE A 15 1.053 1.323 3.177 1.00 0.00 N ATOM 179 CA ILE A 15 1.131 -0.021 2.676 1.00 0.00 C ATOM 180 C ILE A 15 -0.267 -0.592 2.568 1.00 0.00 C ATOM 181 O ILE A 15 -1.217 -0.060 3.149 1.00 0.00 O ATOM 182 CB ILE A 15 1.945 -0.916 3.625 1.00 0.00 C ATOM 183 CG1 ILE A 15 1.137 -1.203 4.876 1.00 0.00 C ATOM 184 CG2 ILE A 15 3.259 -0.258 3.973 1.00 0.00 C ATOM 185 CD1 ILE A 15 1.841 -2.073 5.887 1.00 0.00 C ATOM 0 H ILE A 15 0.620 1.400 4.097 1.00 0.00 H new ATOM 0 HA ILE A 15 1.619 0.005 1.702 1.00 0.00 H new ATOM 0 HB ILE A 15 2.164 -1.860 3.126 1.00 0.00 H new ATOM 0 HG12 ILE A 15 0.875 -0.257 5.349 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.203 -1.685 4.588 1.00 0.00 H new ATOM 0 HG21 ILE A 15 3.823 -0.905 4.645 1.00 0.00 H new ATOM 0 HG22 ILE A 15 3.835 -0.091 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.069 0.697 4.463 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.192 -2.227 6.749 1.00 0.00 H new ATOM 0 HD12 ILE A 15 2.079 -3.036 5.435 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.761 -1.585 6.209 1.00 0.00 H new ATOM 197 N LYS A 16 -0.404 -1.632 1.824 1.00 0.00 N ATOM 198 CA LYS A 16 -1.677 -2.263 1.663 1.00 0.00 C ATOM 199 C LYS A 16 -1.776 -3.501 2.532 1.00 0.00 C ATOM 200 O LYS A 16 -0.797 -4.194 2.752 1.00 0.00 O ATOM 201 CB LYS A 16 -1.891 -2.617 0.222 1.00 0.00 C ATOM 202 CG LYS A 16 -3.322 -2.977 -0.115 1.00 0.00 C ATOM 203 CD LYS A 16 -3.502 -3.274 -1.590 1.00 0.00 C ATOM 204 CE LYS A 16 -3.270 -2.049 -2.449 1.00 0.00 C ATOM 205 NZ LYS A 16 -3.461 -2.348 -3.887 1.00 0.00 N ATOM 0 H LYS A 16 0.358 -2.073 1.309 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.454 -1.566 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.583 -1.775 -0.398 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.245 -3.456 -0.036 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.624 -3.846 0.469 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.979 -2.156 0.172 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.810 -4.062 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.509 -3.652 -1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.955 -1.257 -2.147 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.259 -1.675 -2.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.294 -1.487 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.790 -3.086 -4.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.433 -2.681 -4.046 1.00 0.00 H new ATOM 219 N ILE A 17 -2.937 -3.731 3.056 1.00 0.00 N ATOM 220 CA ILE A 17 -3.209 -4.894 3.869 1.00 0.00 C ATOM 221 C ILE A 17 -4.423 -5.632 3.359 1.00 0.00 C ATOM 222 O ILE A 17 -5.474 -5.027 3.123 1.00 0.00 O ATOM 223 CB ILE A 17 -3.430 -4.521 5.351 1.00 0.00 C ATOM 224 CG1 ILE A 17 -2.157 -3.925 5.960 1.00 0.00 C ATOM 225 CG2 ILE A 17 -3.914 -5.718 6.152 1.00 0.00 C ATOM 226 CD1 ILE A 17 -0.970 -4.872 5.972 1.00 0.00 C ATOM 0 H ILE A 17 -3.740 -3.114 2.935 1.00 0.00 H new ATOM 0 HA ILE A 17 -2.332 -5.538 3.801 1.00 0.00 H new ATOM 0 HB ILE A 17 -4.209 -3.760 5.393 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -1.886 -3.028 5.402 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -2.369 -3.613 6.983 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -4.061 -5.425 7.192 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -4.857 -6.075 5.739 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -3.171 -6.514 6.101 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.111 -4.372 6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.218 -5.759 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.728 -5.165 4.950 1.00 0.00 H new ATOM 238 N LYS A 18 -4.287 -6.925 3.169 1.00 0.00 N ATOM 239 CA LYS A 18 -5.405 -7.719 2.763 1.00 0.00 C ATOM 240 C LYS A 18 -5.956 -8.422 3.989 1.00 0.00 C ATOM 241 O LYS A 18 -5.363 -9.380 4.492 1.00 0.00 O ATOM 242 CB LYS A 18 -5.011 -8.764 1.710 1.00 0.00 C ATOM 243 CG LYS A 18 -3.886 -8.330 0.757 1.00 0.00 C ATOM 244 CD LYS A 18 -3.731 -9.322 -0.385 1.00 0.00 C ATOM 245 CE LYS A 18 -3.264 -10.673 0.116 1.00 0.00 C ATOM 246 NZ LYS A 18 -3.148 -11.664 -0.981 1.00 0.00 N ATOM 0 H LYS A 18 -3.415 -7.439 3.290 1.00 0.00 H new ATOM 0 HA LYS A 18 -6.153 -7.066 2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.702 -9.676 2.222 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.892 -9.013 1.119 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.104 -7.340 0.357 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.948 -8.252 1.307 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.683 -9.434 -0.904 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.016 -8.935 -1.111 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.298 -10.563 0.608 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.963 -11.043 0.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -2.826 -12.574 -0.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.075 -11.790 -1.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.461 -11.324 -1.684 1.00 0.00 H new ATOM 260 N VAL A 19 -7.060 -7.929 4.479 1.00 0.00 N ATOM 261 CA VAL A 19 -7.707 -8.491 5.630 1.00 0.00 C ATOM 262 C VAL A 19 -8.553 -9.672 5.208 1.00 0.00 C ATOM 263 O VAL A 19 -9.478 -9.516 4.429 1.00 0.00 O ATOM 264 CB VAL A 19 -8.617 -7.436 6.293 1.00 0.00 C ATOM 265 CG1 VAL A 19 -9.379 -8.032 7.448 1.00 0.00 C ATOM 266 CG2 VAL A 19 -7.806 -6.234 6.747 1.00 0.00 C ATOM 0 H VAL A 19 -7.539 -7.119 4.086 1.00 0.00 H new ATOM 0 HA VAL A 19 -6.945 -8.812 6.340 1.00 0.00 H new ATOM 0 HB VAL A 19 -9.339 -7.099 5.550 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.013 -7.268 7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.999 -8.853 7.089 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -8.677 -8.406 8.193 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.468 -5.503 7.211 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -7.055 -6.554 7.469 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.313 -5.782 5.887 1.00 0.00 H new ATOM 276 N VAL A 20 -8.233 -10.846 5.721 1.00 0.00 N ATOM 277 CA VAL A 20 -8.971 -12.042 5.383 1.00 0.00 C ATOM 278 C VAL A 20 -9.705 -12.564 6.610 1.00 0.00 C ATOM 279 O VAL A 20 -9.084 -12.923 7.617 1.00 0.00 O ATOM 280 CB VAL A 20 -8.035 -13.152 4.847 1.00 0.00 C ATOM 281 CG1 VAL A 20 -8.831 -14.391 4.458 1.00 0.00 C ATOM 282 CG2 VAL A 20 -7.211 -12.646 3.675 1.00 0.00 C ATOM 0 H VAL A 20 -7.464 -10.994 6.375 1.00 0.00 H new ATOM 0 HA VAL A 20 -9.684 -11.780 4.602 1.00 0.00 H new ATOM 0 HB VAL A 20 -7.348 -13.430 5.646 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -8.152 -15.157 4.084 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -9.362 -14.771 5.331 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -9.550 -14.132 3.680 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -6.561 -13.444 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -7.877 -12.331 2.872 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -6.603 -11.800 3.996 1.00 0.00 H new ATOM 292 N GLY A 21 -11.015 -12.603 6.522 1.00 0.00 N ATOM 293 CA GLY A 21 -11.812 -13.077 7.633 1.00 0.00 C ATOM 294 C GLY A 21 -12.075 -14.562 7.563 1.00 0.00 C ATOM 295 O GLY A 21 -11.726 -15.210 6.577 1.00 0.00 O ATOM 0 H GLY A 21 -11.548 -12.315 5.701 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -11.301 -12.845 8.568 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -12.762 -12.543 7.648 1.00 0.00 H new ATOM 299 N GLN A 22 -12.718 -15.096 8.593 1.00 0.00 N ATOM 300 CA GLN A 22 -13.040 -16.521 8.658 1.00 0.00 C ATOM 301 C GLN A 22 -14.007 -16.905 7.564 1.00 0.00 C ATOM 302 O GLN A 22 -13.968 -18.016 7.040 1.00 0.00 O ATOM 303 CB GLN A 22 -13.592 -16.914 10.024 1.00 0.00 C ATOM 304 CG GLN A 22 -12.568 -16.853 11.139 1.00 0.00 C ATOM 305 CD GLN A 22 -13.168 -17.129 12.500 1.00 0.00 C ATOM 306 OE1 GLN A 22 -14.343 -16.856 12.746 1.00 0.00 O ATOM 307 NE2 GLN A 22 -12.369 -17.671 13.392 1.00 0.00 N ATOM 0 H GLN A 22 -13.030 -14.561 9.403 1.00 0.00 H new ATOM 0 HA GLN A 22 -12.111 -17.070 8.507 1.00 0.00 H new ATOM 0 HB2 GLN A 22 -14.425 -16.256 10.272 1.00 0.00 H new ATOM 0 HB3 GLN A 22 -13.992 -17.926 9.966 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -11.778 -17.578 10.941 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -12.102 -15.868 11.145 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -11.401 -17.882 13.148 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -12.717 -17.881 14.328 1.00 0.00 H new ATOM 316 N ASP A 23 -14.893 -15.985 7.239 1.00 0.00 N ATOM 317 CA ASP A 23 -15.854 -16.166 6.148 1.00 0.00 C ATOM 318 C ASP A 23 -15.121 -16.133 4.789 1.00 0.00 C ATOM 319 O ASP A 23 -15.747 -16.120 3.733 1.00 0.00 O ATOM 320 CB ASP A 23 -16.910 -15.044 6.212 1.00 0.00 C ATOM 321 CG ASP A 23 -18.024 -15.195 5.188 1.00 0.00 C ATOM 322 OD1 ASP A 23 -18.887 -16.083 5.368 1.00 0.00 O ATOM 323 OD2 ASP A 23 -18.040 -14.423 4.205 1.00 0.00 O ATOM 0 H ASP A 23 -14.974 -15.088 7.718 1.00 0.00 H new ATOM 0 HA ASP A 23 -16.348 -17.132 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -17.346 -15.024 7.211 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.417 -14.084 6.061 1.00 0.00 H new ATOM 328 N SER A 24 -13.778 -16.135 4.847 1.00 0.00 N ATOM 329 CA SER A 24 -12.920 -16.027 3.671 1.00 0.00 C ATOM 330 C SER A 24 -13.104 -14.660 3.049 1.00 0.00 C ATOM 331 O SER A 24 -12.885 -14.454 1.851 1.00 0.00 O ATOM 332 CB SER A 24 -13.228 -17.144 2.662 1.00 0.00 C ATOM 333 OG SER A 24 -13.038 -18.422 3.254 1.00 0.00 O ATOM 0 H SER A 24 -13.260 -16.213 5.722 1.00 0.00 H new ATOM 0 HA SER A 24 -11.879 -16.144 3.971 1.00 0.00 H new ATOM 0 HB2 SER A 24 -14.255 -17.050 2.310 1.00 0.00 H new ATOM 0 HB3 SER A 24 -12.582 -17.042 1.790 1.00 0.00 H new ATOM 0 HG SER A 24 -13.241 -19.120 2.597 1.00 0.00 H new ATOM 339 N ASN A 25 -13.462 -13.712 3.901 1.00 0.00 N ATOM 340 CA ASN A 25 -13.734 -12.353 3.472 1.00 0.00 C ATOM 341 C ASN A 25 -12.464 -11.545 3.446 1.00 0.00 C ATOM 342 O ASN A 25 -11.940 -11.170 4.485 1.00 0.00 O ATOM 343 CB ASN A 25 -14.758 -11.692 4.401 1.00 0.00 C ATOM 344 CG ASN A 25 -15.111 -10.267 3.988 1.00 0.00 C ATOM 345 OD1 ASN A 25 -14.466 -9.301 4.401 1.00 0.00 O ATOM 346 ND2 ASN A 25 -16.150 -10.129 3.193 1.00 0.00 N ATOM 0 H ASN A 25 -13.571 -13.864 4.904 1.00 0.00 H new ATOM 0 HA ASN A 25 -14.147 -12.389 2.464 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -15.666 -12.294 4.417 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -14.364 -11.682 5.417 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -16.446 -9.199 2.898 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -16.659 -10.952 2.872 1.00 0.00 H new ATOM 353 N GLU A 26 -11.970 -11.307 2.264 1.00 0.00 N ATOM 354 CA GLU A 26 -10.759 -10.537 2.084 1.00 0.00 C ATOM 355 C GLU A 26 -11.083 -9.143 1.584 1.00 0.00 C ATOM 356 O GLU A 26 -11.872 -8.966 0.656 1.00 0.00 O ATOM 357 CB GLU A 26 -9.785 -11.245 1.131 1.00 0.00 C ATOM 358 CG GLU A 26 -8.511 -10.458 0.842 1.00 0.00 C ATOM 359 CD GLU A 26 -7.600 -11.147 -0.156 1.00 0.00 C ATOM 360 OE1 GLU A 26 -7.114 -10.466 -1.088 1.00 0.00 O ATOM 361 OE2 GLU A 26 -7.366 -12.375 -0.018 1.00 0.00 O ATOM 0 H GLU A 26 -12.390 -11.638 1.396 1.00 0.00 H new ATOM 0 HA GLU A 26 -10.270 -10.450 3.054 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.513 -12.210 1.558 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -10.296 -11.445 0.190 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.778 -9.472 0.461 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.968 -10.303 1.774 1.00 0.00 H new ATOM 368 N VAL A 27 -10.494 -8.163 2.219 1.00 0.00 N ATOM 369 CA VAL A 27 -10.684 -6.784 1.854 1.00 0.00 C ATOM 370 C VAL A 27 -9.351 -6.054 1.907 1.00 0.00 C ATOM 371 O VAL A 27 -8.547 -6.272 2.816 1.00 0.00 O ATOM 372 CB VAL A 27 -11.729 -6.099 2.770 1.00 0.00 C ATOM 373 CG1 VAL A 27 -11.300 -6.162 4.221 1.00 0.00 C ATOM 374 CG2 VAL A 27 -11.981 -4.661 2.340 1.00 0.00 C ATOM 0 H VAL A 27 -9.865 -8.301 3.010 1.00 0.00 H new ATOM 0 HA VAL A 27 -11.071 -6.742 0.836 1.00 0.00 H new ATOM 0 HB VAL A 27 -12.667 -6.645 2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -12.050 -5.674 4.844 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -11.197 -7.204 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.343 -5.653 4.340 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -12.719 -4.207 3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -11.050 -4.097 2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -12.355 -4.648 1.316 1.00 0.00 H new ATOM 384 N HIS A 28 -9.105 -5.219 0.924 1.00 0.00 N ATOM 385 CA HIS A 28 -7.842 -4.522 0.834 1.00 0.00 C ATOM 386 C HIS A 28 -7.932 -3.128 1.412 1.00 0.00 C ATOM 387 O HIS A 28 -8.589 -2.248 0.855 1.00 0.00 O ATOM 388 CB HIS A 28 -7.366 -4.454 -0.617 1.00 0.00 C ATOM 389 CG HIS A 28 -6.965 -5.780 -1.191 1.00 0.00 C ATOM 390 ND1 HIS A 28 -6.391 -5.919 -2.434 1.00 0.00 N ATOM 391 CD2 HIS A 28 -7.068 -7.032 -0.689 1.00 0.00 C ATOM 392 CE1 HIS A 28 -6.159 -7.199 -2.669 1.00 0.00 C ATOM 393 NE2 HIS A 28 -6.563 -7.892 -1.623 1.00 0.00 N ATOM 0 H HIS A 28 -9.763 -5.005 0.175 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.118 -5.086 1.422 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -8.161 -4.030 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -6.518 -3.772 -0.679 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.475 -7.302 0.274 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.715 -7.607 -3.565 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -6.508 -8.906 -1.526 1.00 0.00 H new ATOM 401 N PHE A 29 -7.267 -2.937 2.523 1.00 0.00 N ATOM 402 CA PHE A 29 -7.193 -1.647 3.165 1.00 0.00 C ATOM 403 C PHE A 29 -5.800 -1.077 3.064 1.00 0.00 C ATOM 404 O PHE A 29 -4.818 -1.813 3.000 1.00 0.00 O ATOM 405 CB PHE A 29 -7.611 -1.720 4.629 1.00 0.00 C ATOM 406 CG PHE A 29 -9.087 -1.863 4.842 1.00 0.00 C ATOM 407 CD1 PHE A 29 -9.620 -3.018 5.380 1.00 0.00 C ATOM 408 CD2 PHE A 29 -9.944 -0.827 4.507 1.00 0.00 C ATOM 409 CE1 PHE A 29 -10.981 -3.136 5.582 1.00 0.00 C ATOM 410 CE2 PHE A 29 -11.304 -0.941 4.704 1.00 0.00 C ATOM 411 CZ PHE A 29 -11.822 -2.096 5.243 1.00 0.00 C ATOM 0 H PHE A 29 -6.759 -3.675 3.011 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.889 -0.990 2.643 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.105 -2.564 5.098 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.268 -0.819 5.138 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -8.967 -3.836 5.645 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.541 0.082 4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -11.387 -4.043 6.005 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.960 -0.126 4.436 1.00 0.00 H new ATOM 0 HZ PHE A 29 -12.886 -2.189 5.401 1.00 0.00 H new ATOM 421 N ARG A 30 -5.719 0.226 3.021 1.00 0.00 N ATOM 422 CA ARG A 30 -4.449 0.902 2.960 1.00 0.00 C ATOM 423 C ARG A 30 -4.132 1.467 4.335 1.00 0.00 C ATOM 424 O ARG A 30 -4.899 2.264 4.879 1.00 0.00 O ATOM 425 CB ARG A 30 -4.511 2.023 1.936 1.00 0.00 C ATOM 426 CG ARG A 30 -3.171 2.671 1.621 1.00 0.00 C ATOM 427 CD ARG A 30 -2.345 1.801 0.686 1.00 0.00 C ATOM 428 NE ARG A 30 -1.236 2.550 0.080 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.388 2.043 -0.818 1.00 0.00 C ATOM 430 NH1 ARG A 30 -0.474 0.769 -1.166 1.00 0.00 N ATOM 431 NH2 ARG A 30 0.551 2.810 -1.359 1.00 0.00 N ATOM 0 H ARG A 30 -6.528 0.848 3.027 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.668 0.202 2.661 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.935 1.630 1.012 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -5.194 2.791 2.299 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -3.335 3.647 1.164 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.620 2.841 2.546 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.949 0.949 1.238 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.986 1.402 -0.100 1.00 0.00 H new ATOM 0 HE ARG A 30 -1.105 3.521 0.364 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.189 0.173 -0.748 1.00 0.00 H new ATOM 0 HH12 ARG A 30 0.174 0.383 -1.852 1.00 0.00 H new ATOM 0 HH21 ARG A 30 0.627 3.791 -1.089 1.00 0.00 H new ATOM 0 HH22 ARG A 30 1.197 2.419 -2.045 1.00 0.00 H new ATOM 445 N VAL A 31 -3.020 1.058 4.885 1.00 0.00 N ATOM 446 CA VAL A 31 -2.618 1.474 6.221 1.00 0.00 C ATOM 447 C VAL A 31 -1.154 1.865 6.233 1.00 0.00 C ATOM 448 O VAL A 31 -0.463 1.727 5.244 1.00 0.00 O ATOM 449 CB VAL A 31 -2.853 0.372 7.286 1.00 0.00 C ATOM 450 CG1 VAL A 31 -4.321 -0.029 7.353 1.00 0.00 C ATOM 451 CG2 VAL A 31 -1.975 -0.832 7.020 1.00 0.00 C ATOM 0 H VAL A 31 -2.361 0.428 4.428 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.242 2.330 6.479 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.578 0.784 8.257 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.453 -0.803 8.109 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.924 0.840 7.615 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.638 -0.412 6.383 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.158 -1.591 7.781 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.206 -1.241 6.036 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.927 -0.532 7.051 1.00 0.00 H new ATOM 461 N LYS A 32 -0.701 2.364 7.339 1.00 0.00 N ATOM 462 CA LYS A 32 0.670 2.785 7.489 1.00 0.00 C ATOM 463 C LYS A 32 1.516 1.602 7.946 1.00 0.00 C ATOM 464 O LYS A 32 0.997 0.664 8.546 1.00 0.00 O ATOM 465 CB LYS A 32 0.748 3.905 8.528 1.00 0.00 C ATOM 466 CG LYS A 32 2.067 4.662 8.547 1.00 0.00 C ATOM 467 CD LYS A 32 2.092 5.715 9.657 1.00 0.00 C ATOM 468 CE LYS A 32 1.119 6.867 9.390 1.00 0.00 C ATOM 469 NZ LYS A 32 1.526 7.685 8.216 1.00 0.00 N ATOM 0 H LYS A 32 -1.271 2.495 8.175 1.00 0.00 H new ATOM 0 HA LYS A 32 1.046 3.152 6.534 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -0.059 4.613 8.341 1.00 0.00 H new ATOM 0 HB3 LYS A 32 0.575 3.479 9.516 1.00 0.00 H new ATOM 0 HG2 LYS A 32 2.889 3.960 8.691 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.225 5.144 7.582 1.00 0.00 H new ATOM 0 HD2 LYS A 32 1.841 5.244 10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 32 3.102 6.112 9.755 1.00 0.00 H new ATOM 0 HE2 LYS A 32 0.120 6.465 9.222 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.062 7.504 10.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.817 8.631 8.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.322 7.224 7.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 0.724 7.773 7.559 1.00 0.00 H new ATOM 483 N TYR A 33 2.813 1.650 7.655 1.00 0.00 N ATOM 484 CA TYR A 33 3.751 0.620 8.118 1.00 0.00 C ATOM 485 C TYR A 33 3.616 0.453 9.639 1.00 0.00 C ATOM 486 O TYR A 33 3.669 -0.656 10.161 1.00 0.00 O ATOM 487 CB TYR A 33 5.199 1.057 7.825 1.00 0.00 C ATOM 488 CG TYR A 33 5.550 1.257 6.364 1.00 0.00 C ATOM 489 CD1 TYR A 33 5.293 2.466 5.727 1.00 0.00 C ATOM 490 CD2 TYR A 33 6.168 0.250 5.632 1.00 0.00 C ATOM 491 CE1 TYR A 33 5.633 2.666 4.404 1.00 0.00 C ATOM 492 CE2 TYR A 33 6.512 0.442 4.302 1.00 0.00 C ATOM 493 CZ TYR A 33 6.241 1.652 3.695 1.00 0.00 C ATOM 494 OH TYR A 33 6.579 1.850 2.373 1.00 0.00 O ATOM 0 H TYR A 33 3.243 2.390 7.100 1.00 0.00 H new ATOM 0 HA TYR A 33 3.524 -0.313 7.602 1.00 0.00 H new ATOM 0 HB2 TYR A 33 5.390 1.990 8.355 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.874 0.310 8.241 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.818 3.264 6.278 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.384 -0.696 6.106 1.00 0.00 H new ATOM 0 HE1 TYR A 33 5.424 3.612 3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.989 -0.350 3.745 1.00 0.00 H new ATOM 0 HH TYR A 33 7.000 1.039 2.018 1.00 0.00 H new ATOM 504 N GLY A 34 3.433 1.578 10.332 1.00 0.00 N ATOM 505 CA GLY A 34 3.300 1.566 11.778 1.00 0.00 C ATOM 506 C GLY A 34 1.882 1.824 12.237 1.00 0.00 C ATOM 507 O GLY A 34 1.666 2.457 13.269 1.00 0.00 O ATOM 0 H GLY A 34 3.374 2.505 9.910 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.631 0.601 12.161 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.959 2.322 12.205 1.00 0.00 H new ATOM 511 N THR A 35 0.921 1.369 11.458 1.00 0.00 N ATOM 512 CA THR A 35 -0.468 1.534 11.789 1.00 0.00 C ATOM 513 C THR A 35 -0.860 0.779 13.071 1.00 0.00 C ATOM 514 O THR A 35 -0.463 -0.364 13.291 1.00 0.00 O ATOM 515 CB THR A 35 -1.359 1.114 10.598 1.00 0.00 C ATOM 516 OG1 THR A 35 -1.710 2.262 9.814 1.00 0.00 O ATOM 517 CG2 THR A 35 -2.599 0.377 11.042 1.00 0.00 C ATOM 0 H THR A 35 1.087 0.876 10.581 1.00 0.00 H new ATOM 0 HA THR A 35 -0.631 2.593 11.991 1.00 0.00 H new ATOM 0 HB THR A 35 -0.780 0.423 9.985 1.00 0.00 H new ATOM 0 HG1 THR A 35 -2.683 2.298 9.704 1.00 0.00 H new ATOM 0 HG21 THR A 35 -3.192 0.103 10.169 1.00 0.00 H new ATOM 0 HG22 THR A 35 -2.312 -0.525 11.583 1.00 0.00 H new ATOM 0 HG23 THR A 35 -3.190 1.019 11.695 1.00 0.00 H new ATOM 525 N SER A 36 -1.633 1.453 13.904 1.00 0.00 N ATOM 526 CA SER A 36 -2.108 0.896 15.149 1.00 0.00 C ATOM 527 C SER A 36 -3.387 0.097 14.906 1.00 0.00 C ATOM 528 O SER A 36 -4.115 0.367 13.949 1.00 0.00 O ATOM 529 CB SER A 36 -2.354 2.021 16.153 1.00 0.00 C ATOM 530 OG SER A 36 -1.146 2.714 16.443 1.00 0.00 O ATOM 0 H SER A 36 -1.948 2.407 13.731 1.00 0.00 H new ATOM 0 HA SER A 36 -1.355 0.222 15.558 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.090 2.717 15.752 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.772 1.609 17.072 1.00 0.00 H new ATOM 0 HG SER A 36 -0.748 2.349 17.261 1.00 0.00 H new ATOM 536 N MET A 37 -3.668 -0.871 15.785 1.00 0.00 N ATOM 537 CA MET A 37 -4.834 -1.761 15.632 1.00 0.00 C ATOM 538 C MET A 37 -6.142 -0.999 15.396 1.00 0.00 C ATOM 539 O MET A 37 -7.032 -1.498 14.716 1.00 0.00 O ATOM 540 CB MET A 37 -4.999 -2.657 16.859 1.00 0.00 C ATOM 541 CG MET A 37 -5.455 -1.923 18.113 1.00 0.00 C ATOM 542 SD MET A 37 -5.706 -3.027 19.509 1.00 0.00 S ATOM 543 CE MET A 37 -6.291 -1.876 20.755 1.00 0.00 C ATOM 0 H MET A 37 -3.105 -1.062 16.614 1.00 0.00 H new ATOM 0 HA MET A 37 -4.633 -2.366 14.748 1.00 0.00 H new ATOM 0 HB2 MET A 37 -5.721 -3.441 16.628 1.00 0.00 H new ATOM 0 HB3 MET A 37 -4.049 -3.149 17.065 1.00 0.00 H new ATOM 0 HG2 MET A 37 -4.713 -1.170 18.379 1.00 0.00 H new ATOM 0 HG3 MET A 37 -6.384 -1.394 17.902 1.00 0.00 H new ATOM 0 HE1 MET A 37 -5.795 -2.084 21.703 1.00 0.00 H new ATOM 0 HE2 MET A 37 -6.065 -0.856 20.443 1.00 0.00 H new ATOM 0 HE3 MET A 37 -7.368 -1.988 20.876 1.00 0.00 H new ATOM 553 N ALA A 38 -6.243 0.201 15.942 1.00 0.00 N ATOM 554 CA ALA A 38 -7.450 1.006 15.814 1.00 0.00 C ATOM 555 C ALA A 38 -7.756 1.340 14.364 1.00 0.00 C ATOM 556 O ALA A 38 -8.903 1.328 13.958 1.00 0.00 O ATOM 557 CB ALA A 38 -7.340 2.276 16.633 1.00 0.00 C ATOM 0 H ALA A 38 -5.499 0.643 16.482 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.277 0.409 16.199 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -8.253 2.861 16.522 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -7.198 2.021 17.683 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -6.489 2.861 16.284 1.00 0.00 H new ATOM 563 N LYS A 39 -6.715 1.603 13.588 1.00 0.00 N ATOM 564 CA LYS A 39 -6.873 2.013 12.194 1.00 0.00 C ATOM 565 C LYS A 39 -7.587 0.942 11.388 1.00 0.00 C ATOM 566 O LYS A 39 -8.428 1.247 10.552 1.00 0.00 O ATOM 567 CB LYS A 39 -5.505 2.264 11.572 1.00 0.00 C ATOM 568 CG LYS A 39 -4.768 3.473 12.140 1.00 0.00 C ATOM 569 CD LYS A 39 -5.422 4.779 11.737 1.00 0.00 C ATOM 570 CE LYS A 39 -5.265 5.022 10.251 1.00 0.00 C ATOM 571 NZ LYS A 39 -5.869 6.307 9.829 1.00 0.00 N ATOM 0 H LYS A 39 -5.746 1.540 13.899 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.469 2.926 12.178 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -4.887 1.377 11.713 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.627 2.400 10.497 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -4.740 3.402 13.227 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -3.735 3.463 11.793 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -6.480 4.756 11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -4.975 5.602 12.294 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -4.206 5.018 9.994 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -5.730 4.205 9.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -5.738 6.432 8.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.885 6.302 10.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.408 7.090 10.335 1.00 0.00 H new ATOM 585 N LEU A 40 -7.250 -0.304 11.650 1.00 0.00 N ATOM 586 CA LEU A 40 -7.839 -1.415 10.922 1.00 0.00 C ATOM 587 C LEU A 40 -9.141 -1.867 11.545 1.00 0.00 C ATOM 588 O LEU A 40 -10.131 -2.081 10.849 1.00 0.00 O ATOM 589 CB LEU A 40 -6.866 -2.596 10.804 1.00 0.00 C ATOM 590 CG LEU A 40 -6.049 -2.956 12.060 1.00 0.00 C ATOM 591 CD1 LEU A 40 -5.726 -4.433 12.062 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.756 -2.163 12.081 1.00 0.00 C ATOM 0 H LEU A 40 -6.571 -0.575 12.361 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.053 -1.050 9.918 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.436 -3.476 10.506 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.167 -2.380 9.996 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.640 -2.713 12.943 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.148 -4.678 12.953 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.652 -5.008 12.060 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.144 -4.679 11.174 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.184 -2.423 12.972 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.170 -2.398 11.192 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.983 -1.097 12.094 1.00 0.00 H new ATOM 604 N LYS A 41 -9.137 -2.011 12.857 1.00 0.00 N ATOM 605 CA LYS A 41 -10.304 -2.470 13.578 1.00 0.00 C ATOM 606 C LYS A 41 -11.460 -1.519 13.416 1.00 0.00 C ATOM 607 O LYS A 41 -12.556 -1.940 13.115 1.00 0.00 O ATOM 608 CB LYS A 41 -9.962 -2.640 15.045 1.00 0.00 C ATOM 609 CG LYS A 41 -9.092 -3.846 15.364 1.00 0.00 C ATOM 610 CD LYS A 41 -8.602 -3.757 16.784 1.00 0.00 C ATOM 611 CE LYS A 41 -8.089 -5.094 17.330 1.00 0.00 C ATOM 612 NZ LYS A 41 -6.804 -5.532 16.718 1.00 0.00 N ATOM 0 H LYS A 41 -8.329 -1.814 13.448 1.00 0.00 H new ATOM 0 HA LYS A 41 -10.608 -3.431 13.163 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -9.452 -1.741 15.391 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.889 -2.719 15.613 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -9.661 -4.765 15.223 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -8.245 -3.887 14.679 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.803 -3.018 16.840 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -9.412 -3.399 17.419 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.959 -5.011 18.409 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -8.844 -5.861 17.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -6.844 -6.552 16.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -6.648 -5.013 15.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -6.022 -5.337 17.375 1.00 0.00 H new ATOM 626 N LYS A 42 -11.201 -0.238 13.577 1.00 0.00 N ATOM 627 CA LYS A 42 -12.231 0.771 13.380 1.00 0.00 C ATOM 628 C LYS A 42 -12.712 0.748 11.947 1.00 0.00 C ATOM 629 O LYS A 42 -13.905 0.825 11.679 1.00 0.00 O ATOM 630 CB LYS A 42 -11.709 2.168 13.727 1.00 0.00 C ATOM 631 CG LYS A 42 -12.729 3.283 13.518 1.00 0.00 C ATOM 632 CD LYS A 42 -12.135 4.653 13.823 1.00 0.00 C ATOM 633 CE LYS A 42 -11.821 4.820 15.302 1.00 0.00 C ATOM 634 NZ LYS A 42 -13.050 4.808 16.145 1.00 0.00 N ATOM 0 H LYS A 42 -10.289 0.133 13.843 1.00 0.00 H new ATOM 0 HA LYS A 42 -13.062 0.539 14.046 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -11.387 2.176 14.768 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -10.829 2.377 13.119 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -13.086 3.262 12.488 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -13.594 3.110 14.159 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -11.224 4.791 13.241 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -12.834 5.429 13.511 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -11.155 4.019 15.623 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -11.287 5.758 15.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -12.814 5.125 17.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -13.759 5.448 15.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -13.436 3.843 16.183 1.00 0.00 H new ATOM 648 N SER A 43 -11.770 0.625 11.033 1.00 0.00 N ATOM 649 CA SER A 43 -12.070 0.660 9.614 1.00 0.00 C ATOM 650 C SER A 43 -12.976 -0.507 9.208 1.00 0.00 C ATOM 651 O SER A 43 -14.013 -0.316 8.552 1.00 0.00 O ATOM 652 CB SER A 43 -10.763 0.627 8.810 1.00 0.00 C ATOM 653 OG SER A 43 -11.007 0.674 7.418 1.00 0.00 O ATOM 0 H SER A 43 -10.781 0.499 11.250 1.00 0.00 H new ATOM 0 HA SER A 43 -12.605 1.585 9.397 1.00 0.00 H new ATOM 0 HB2 SER A 43 -10.136 1.471 9.099 1.00 0.00 H new ATOM 0 HB3 SER A 43 -10.209 -0.280 9.052 1.00 0.00 H new ATOM 0 HG SER A 43 -10.990 -0.235 7.052 1.00 0.00 H new ATOM 659 N TYR A 44 -12.592 -1.705 9.607 1.00 0.00 N ATOM 660 CA TYR A 44 -13.348 -2.900 9.291 1.00 0.00 C ATOM 661 C TYR A 44 -14.645 -2.967 10.070 1.00 0.00 C ATOM 662 O TYR A 44 -15.689 -3.298 9.518 1.00 0.00 O ATOM 663 CB TYR A 44 -12.524 -4.115 9.582 1.00 0.00 C ATOM 664 CG TYR A 44 -13.129 -5.394 9.075 1.00 0.00 C ATOM 665 CD1 TYR A 44 -12.775 -5.903 7.837 1.00 0.00 C ATOM 666 CD2 TYR A 44 -14.059 -6.083 9.828 1.00 0.00 C ATOM 667 CE1 TYR A 44 -13.330 -7.066 7.361 1.00 0.00 C ATOM 668 CE2 TYR A 44 -14.624 -7.250 9.366 1.00 0.00 C ATOM 669 CZ TYR A 44 -14.256 -7.740 8.127 1.00 0.00 C ATOM 670 OH TYR A 44 -14.817 -8.902 7.653 1.00 0.00 O ATOM 0 H TYR A 44 -11.750 -1.876 10.157 1.00 0.00 H new ATOM 0 HA TYR A 44 -13.595 -2.864 8.230 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -11.537 -3.989 9.136 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -12.379 -4.195 10.659 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -12.050 -5.376 7.235 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -14.348 -5.700 10.796 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -13.043 -7.449 6.393 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -15.349 -7.779 9.967 1.00 0.00 H new ATOM 0 HH TYR A 44 -14.658 -8.972 6.688 1.00 0.00 H new ATOM 680 N ALA A 45 -14.574 -2.651 11.349 1.00 0.00 N ATOM 681 CA ALA A 45 -15.753 -2.667 12.205 1.00 0.00 C ATOM 682 C ALA A 45 -16.805 -1.737 11.643 1.00 0.00 C ATOM 683 O ALA A 45 -18.004 -1.989 11.748 1.00 0.00 O ATOM 684 CB ALA A 45 -15.397 -2.264 13.628 1.00 0.00 C ATOM 0 H ALA A 45 -13.712 -2.379 11.822 1.00 0.00 H new ATOM 0 HA ALA A 45 -16.149 -3.682 12.232 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -16.294 -2.284 14.247 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -14.663 -2.962 14.031 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -14.979 -1.257 13.627 1.00 0.00 H new ATOM 690 N ASP A 46 -16.335 -0.672 11.033 1.00 0.00 N ATOM 691 CA ASP A 46 -17.197 0.332 10.429 1.00 0.00 C ATOM 692 C ASP A 46 -18.019 -0.261 9.288 1.00 0.00 C ATOM 693 O ASP A 46 -19.234 -0.081 9.228 1.00 0.00 O ATOM 694 CB ASP A 46 -16.342 1.480 9.899 1.00 0.00 C ATOM 695 CG ASP A 46 -17.150 2.586 9.257 1.00 0.00 C ATOM 696 OD1 ASP A 46 -17.544 3.530 9.972 1.00 0.00 O ATOM 697 OD2 ASP A 46 -17.381 2.524 8.028 1.00 0.00 O ATOM 0 H ASP A 46 -15.339 -0.472 10.939 1.00 0.00 H new ATOM 0 HA ASP A 46 -17.885 0.698 11.191 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -15.758 1.897 10.720 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.633 1.088 9.170 1.00 0.00 H new ATOM 702 N ARG A 47 -17.352 -0.999 8.400 1.00 0.00 N ATOM 703 CA ARG A 47 -18.017 -1.572 7.227 1.00 0.00 C ATOM 704 C ARG A 47 -19.002 -2.669 7.625 1.00 0.00 C ATOM 705 O ARG A 47 -19.993 -2.901 6.942 1.00 0.00 O ATOM 706 CB ARG A 47 -16.987 -2.130 6.216 1.00 0.00 C ATOM 707 CG ARG A 47 -16.284 -3.404 6.672 1.00 0.00 C ATOM 708 CD ARG A 47 -15.293 -3.921 5.637 1.00 0.00 C ATOM 709 NE ARG A 47 -15.957 -4.399 4.420 1.00 0.00 N ATOM 710 CZ ARG A 47 -15.738 -5.594 3.848 1.00 0.00 C ATOM 711 NH1 ARG A 47 -14.866 -6.450 4.384 1.00 0.00 N ATOM 712 NH2 ARG A 47 -16.397 -5.929 2.745 1.00 0.00 N ATOM 0 H ARG A 47 -16.357 -1.214 8.469 1.00 0.00 H new ATOM 0 HA ARG A 47 -18.573 -0.766 6.749 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -17.493 -2.327 5.271 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -16.236 -1.365 6.021 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -15.760 -3.212 7.608 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -17.028 -4.174 6.875 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.594 -3.126 5.378 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.708 -4.732 6.071 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.634 -3.779 3.976 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.361 -6.198 5.234 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -14.705 -7.356 3.944 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -17.068 -5.279 2.334 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -16.233 -6.836 2.308 1.00 0.00 H new ATOM 726 N THR A 48 -18.735 -3.324 8.741 1.00 0.00 N ATOM 727 CA THR A 48 -19.573 -4.423 9.178 1.00 0.00 C ATOM 728 C THR A 48 -20.624 -3.982 10.211 1.00 0.00 C ATOM 729 O THR A 48 -21.543 -4.741 10.528 1.00 0.00 O ATOM 730 CB THR A 48 -18.727 -5.611 9.721 1.00 0.00 C ATOM 731 OG1 THR A 48 -19.579 -6.685 10.148 1.00 0.00 O ATOM 732 CG2 THR A 48 -17.835 -5.175 10.871 1.00 0.00 C ATOM 0 H THR A 48 -17.949 -3.115 9.357 1.00 0.00 H new ATOM 0 HA THR A 48 -20.111 -4.769 8.295 1.00 0.00 H new ATOM 0 HB THR A 48 -18.092 -5.960 8.907 1.00 0.00 H new ATOM 0 HG1 THR A 48 -20.495 -6.354 10.252 1.00 0.00 H new ATOM 0 HG21 THR A 48 -17.258 -6.028 11.227 1.00 0.00 H new ATOM 0 HG22 THR A 48 -17.156 -4.394 10.529 1.00 0.00 H new ATOM 0 HG23 THR A 48 -18.451 -4.789 11.683 1.00 0.00 H new ATOM 740 N GLY A 49 -20.490 -2.758 10.721 1.00 0.00 N ATOM 741 CA GLY A 49 -21.443 -2.256 11.707 1.00 0.00 C ATOM 742 C GLY A 49 -21.301 -2.952 13.051 1.00 0.00 C ATOM 743 O GLY A 49 -22.290 -3.197 13.750 1.00 0.00 O ATOM 0 H GLY A 49 -19.745 -2.107 10.473 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -21.296 -1.184 11.838 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -22.457 -2.396 11.333 1.00 0.00 H new ATOM 747 N VAL A 50 -20.075 -3.281 13.397 1.00 0.00 N ATOM 748 CA VAL A 50 -19.770 -3.991 14.628 1.00 0.00 C ATOM 749 C VAL A 50 -18.855 -3.162 15.521 1.00 0.00 C ATOM 750 O VAL A 50 -18.094 -2.336 15.029 1.00 0.00 O ATOM 751 CB VAL A 50 -19.121 -5.378 14.335 1.00 0.00 C ATOM 752 CG1 VAL A 50 -18.623 -6.040 15.610 1.00 0.00 C ATOM 753 CG2 VAL A 50 -20.111 -6.285 13.619 1.00 0.00 C ATOM 0 H VAL A 50 -19.255 -3.064 12.831 1.00 0.00 H new ATOM 0 HA VAL A 50 -20.711 -4.158 15.152 1.00 0.00 H new ATOM 0 HB VAL A 50 -18.260 -5.213 13.687 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -18.177 -7.005 15.369 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -17.876 -5.403 16.083 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -19.459 -6.188 16.294 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -19.643 -7.250 13.421 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -20.991 -6.430 14.246 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -20.409 -5.826 12.676 1.00 0.00 H new ATOM 763 N ALA A 51 -18.988 -3.345 16.839 1.00 0.00 N ATOM 764 CA ALA A 51 -18.138 -2.672 17.811 1.00 0.00 C ATOM 765 C ALA A 51 -16.670 -2.878 17.463 1.00 0.00 C ATOM 766 O ALA A 51 -16.250 -3.991 17.129 1.00 0.00 O ATOM 767 CB ALA A 51 -18.426 -3.214 19.205 1.00 0.00 C ATOM 0 H ALA A 51 -19.686 -3.962 17.255 1.00 0.00 H new ATOM 0 HA ALA A 51 -18.352 -1.604 17.790 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -17.789 -2.709 19.931 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -19.472 -3.037 19.455 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -18.224 -4.285 19.228 1.00 0.00 H new ATOM 773 N VAL A 52 -15.902 -1.807 17.555 1.00 0.00 N ATOM 774 CA VAL A 52 -14.489 -1.822 17.196 1.00 0.00 C ATOM 775 C VAL A 52 -13.709 -2.807 18.060 1.00 0.00 C ATOM 776 O VAL A 52 -12.907 -3.589 17.553 1.00 0.00 O ATOM 777 CB VAL A 52 -13.867 -0.410 17.322 1.00 0.00 C ATOM 778 CG1 VAL A 52 -12.357 -0.445 17.122 1.00 0.00 C ATOM 779 CG2 VAL A 52 -14.520 0.549 16.339 1.00 0.00 C ATOM 0 H VAL A 52 -16.237 -0.900 17.880 1.00 0.00 H new ATOM 0 HA VAL A 52 -14.424 -2.143 16.156 1.00 0.00 H new ATOM 0 HB VAL A 52 -14.055 -0.051 18.334 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -11.954 0.563 17.217 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.905 -1.089 17.876 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -12.130 -0.834 16.129 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -14.071 1.537 16.441 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.370 0.186 15.322 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -15.588 0.613 16.548 1.00 0.00 H new ATOM 789 N ASN A 53 -13.974 -2.792 19.355 1.00 0.00 N ATOM 790 CA ASN A 53 -13.276 -3.689 20.279 1.00 0.00 C ATOM 791 C ASN A 53 -13.833 -5.101 20.191 1.00 0.00 C ATOM 792 O ASN A 53 -13.274 -6.042 20.757 1.00 0.00 O ATOM 793 CB ASN A 53 -13.333 -3.176 21.725 1.00 0.00 C ATOM 794 CG ASN A 53 -12.492 -1.927 21.940 1.00 0.00 C ATOM 795 OD1 ASN A 53 -11.519 -1.682 21.226 1.00 0.00 O ATOM 796 ND2 ASN A 53 -12.857 -1.132 22.927 1.00 0.00 N ATOM 0 H ASN A 53 -14.660 -2.177 19.794 1.00 0.00 H new ATOM 0 HA ASN A 53 -12.229 -3.710 19.978 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -14.368 -2.961 21.989 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -12.988 -3.961 22.398 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.327 -0.282 23.120 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.669 -1.367 23.498 1.00 0.00 H new ATOM 803 N SER A 54 -14.945 -5.243 19.488 1.00 0.00 N ATOM 804 CA SER A 54 -15.542 -6.543 19.262 1.00 0.00 C ATOM 805 C SER A 54 -14.941 -7.187 18.029 1.00 0.00 C ATOM 806 O SER A 54 -15.171 -8.364 17.756 1.00 0.00 O ATOM 807 CB SER A 54 -17.049 -6.424 19.108 1.00 0.00 C ATOM 808 OG SER A 54 -17.650 -5.993 20.314 1.00 0.00 O ATOM 0 H SER A 54 -15.453 -4.467 19.063 1.00 0.00 H new ATOM 0 HA SER A 54 -15.333 -7.171 20.128 1.00 0.00 H new ATOM 0 HB2 SER A 54 -17.282 -5.719 18.310 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.465 -7.388 18.814 1.00 0.00 H new ATOM 0 HG SER A 54 -18.625 -6.014 20.219 1.00 0.00 H new ATOM 814 N LEU A 55 -14.185 -6.406 17.286 1.00 0.00 N ATOM 815 CA LEU A 55 -13.501 -6.894 16.115 1.00 0.00 C ATOM 816 C LEU A 55 -12.081 -7.247 16.498 1.00 0.00 C ATOM 817 O LEU A 55 -11.381 -6.449 17.119 1.00 0.00 O ATOM 818 CB LEU A 55 -13.495 -5.829 15.011 1.00 0.00 C ATOM 819 CG LEU A 55 -14.011 -6.277 13.639 1.00 0.00 C ATOM 820 CD1 LEU A 55 -13.287 -7.525 13.161 1.00 0.00 C ATOM 821 CD2 LEU A 55 -15.511 -6.508 13.678 1.00 0.00 C ATOM 0 H LEU A 55 -14.030 -5.417 17.480 1.00 0.00 H new ATOM 0 HA LEU A 55 -14.017 -7.775 15.734 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -14.098 -4.985 15.345 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -12.475 -5.464 14.892 1.00 0.00 H new ATOM 0 HG LEU A 55 -13.806 -5.478 12.927 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -13.674 -7.819 12.185 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.220 -7.318 13.081 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -13.447 -8.334 13.874 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -15.856 -6.825 12.694 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -15.741 -7.282 14.410 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -16.014 -5.583 13.958 1.00 0.00 H new ATOM 833 N ARG A 56 -11.651 -8.428 16.133 1.00 0.00 N ATOM 834 CA ARG A 56 -10.337 -8.872 16.518 1.00 0.00 C ATOM 835 C ARG A 56 -9.502 -9.224 15.313 1.00 0.00 C ATOM 836 O ARG A 56 -9.833 -10.131 14.543 1.00 0.00 O ATOM 837 CB ARG A 56 -10.397 -10.052 17.513 1.00 0.00 C ATOM 838 CG ARG A 56 -11.365 -11.175 17.142 1.00 0.00 C ATOM 839 CD ARG A 56 -12.792 -10.886 17.605 1.00 0.00 C ATOM 840 NE ARG A 56 -12.863 -10.563 19.036 1.00 0.00 N ATOM 841 CZ ARG A 56 -13.790 -11.040 19.878 1.00 0.00 C ATOM 842 NH1 ARG A 56 -14.701 -11.915 19.458 1.00 0.00 N ATOM 843 NH2 ARG A 56 -13.795 -10.643 21.147 1.00 0.00 N ATOM 0 H ARG A 56 -12.186 -9.093 15.575 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.856 -8.038 17.029 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -9.397 -10.475 17.610 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.675 -9.665 18.493 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -11.357 -11.316 16.061 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.023 -12.109 17.588 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -13.197 -10.055 17.027 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -13.420 -11.753 17.400 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.157 -9.932 19.415 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.698 -12.228 18.487 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.402 -12.272 20.107 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -13.095 -9.978 21.476 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.499 -11.003 21.791 1.00 0.00 H new ATOM 857 N PHE A 57 -8.429 -8.485 15.145 1.00 0.00 N ATOM 858 CA PHE A 57 -7.502 -8.709 14.061 1.00 0.00 C ATOM 859 C PHE A 57 -6.240 -9.340 14.570 1.00 0.00 C ATOM 860 O PHE A 57 -5.614 -8.836 15.511 1.00 0.00 O ATOM 861 CB PHE A 57 -7.159 -7.403 13.384 1.00 0.00 C ATOM 862 CG PHE A 57 -8.247 -6.850 12.540 1.00 0.00 C ATOM 863 CD1 PHE A 57 -9.381 -6.315 13.104 1.00 0.00 C ATOM 864 CD2 PHE A 57 -8.120 -6.846 11.172 1.00 0.00 C ATOM 865 CE1 PHE A 57 -10.372 -5.791 12.316 1.00 0.00 C ATOM 866 CE2 PHE A 57 -9.102 -6.326 10.380 1.00 0.00 C ATOM 867 CZ PHE A 57 -10.228 -5.799 10.950 1.00 0.00 C ATOM 0 H PHE A 57 -8.175 -7.710 15.758 1.00 0.00 H new ATOM 0 HA PHE A 57 -7.978 -9.378 13.344 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -6.898 -6.669 14.147 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -6.273 -7.549 12.765 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.492 -6.308 14.178 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -7.232 -7.260 10.718 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -11.261 -5.374 12.766 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -8.990 -6.331 9.306 1.00 0.00 H new ATOM 0 HZ PHE A 57 -11.006 -5.388 10.324 1.00 0.00 H new ATOM 877 N LEU A 58 -5.856 -10.415 13.952 1.00 0.00 N ATOM 878 CA LEU A 58 -4.662 -11.106 14.327 1.00 0.00 C ATOM 879 C LEU A 58 -3.718 -11.189 13.164 1.00 0.00 C ATOM 880 O LEU A 58 -4.118 -11.466 12.041 1.00 0.00 O ATOM 881 CB LEU A 58 -4.963 -12.505 14.872 1.00 0.00 C ATOM 882 CG LEU A 58 -5.200 -12.586 16.383 1.00 0.00 C ATOM 883 CD1 LEU A 58 -6.533 -11.989 16.776 1.00 0.00 C ATOM 884 CD2 LEU A 58 -5.081 -14.004 16.877 1.00 0.00 C ATOM 0 H LEU A 58 -6.362 -10.837 13.174 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.190 -10.536 15.127 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.845 -12.893 14.362 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -4.132 -13.162 14.616 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.422 -11.992 16.862 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -6.662 -12.066 17.856 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -6.563 -10.940 16.481 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -7.336 -12.530 16.275 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.254 -14.030 17.953 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.821 -14.627 16.375 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -4.082 -14.382 16.661 1.00 0.00 H new ATOM 896 N PHE A 59 -2.477 -10.936 13.427 1.00 0.00 N ATOM 897 CA PHE A 59 -1.477 -11.004 12.418 1.00 0.00 C ATOM 898 C PHE A 59 -0.668 -12.247 12.615 1.00 0.00 C ATOM 899 O PHE A 59 -0.022 -12.410 13.639 1.00 0.00 O ATOM 900 CB PHE A 59 -0.584 -9.777 12.463 1.00 0.00 C ATOM 901 CG PHE A 59 0.483 -9.791 11.423 1.00 0.00 C ATOM 902 CD1 PHE A 59 0.166 -9.591 10.098 1.00 0.00 C ATOM 903 CD2 PHE A 59 1.804 -9.989 11.772 1.00 0.00 C ATOM 904 CE1 PHE A 59 1.144 -9.588 9.131 1.00 0.00 C ATOM 905 CE2 PHE A 59 2.788 -9.992 10.812 1.00 0.00 C ATOM 906 CZ PHE A 59 2.458 -9.790 9.488 1.00 0.00 C ATOM 0 H PHE A 59 -2.130 -10.676 14.350 1.00 0.00 H new ATOM 0 HA PHE A 59 -1.956 -11.032 11.439 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -1.196 -8.885 12.334 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -0.122 -9.707 13.448 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -0.864 -9.434 9.814 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.067 -10.143 12.808 1.00 0.00 H new ATOM 0 HE1 PHE A 59 0.882 -9.428 8.096 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.818 -10.152 11.094 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.230 -9.790 8.732 1.00 0.00 H new ATOM 916 N ASP A 60 -0.739 -13.133 11.653 1.00 0.00 N ATOM 917 CA ASP A 60 -0.017 -14.408 11.694 1.00 0.00 C ATOM 918 C ASP A 60 -0.336 -15.220 12.956 1.00 0.00 C ATOM 919 O ASP A 60 0.441 -16.077 13.366 1.00 0.00 O ATOM 920 CB ASP A 60 1.490 -14.178 11.554 1.00 0.00 C ATOM 921 CG ASP A 60 1.909 -13.997 10.111 1.00 0.00 C ATOM 922 OD1 ASP A 60 2.562 -14.909 9.563 1.00 0.00 O ATOM 923 OD2 ASP A 60 1.574 -12.957 9.509 1.00 0.00 O ATOM 0 H ASP A 60 -1.298 -13.002 10.810 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.360 -15.000 10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.776 -13.296 12.127 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.026 -15.024 11.983 1.00 0.00 H new ATOM 928 N GLY A 61 -1.489 -14.952 13.557 1.00 0.00 N ATOM 929 CA GLY A 61 -1.925 -15.711 14.712 1.00 0.00 C ATOM 930 C GLY A 61 -1.718 -14.988 16.021 1.00 0.00 C ATOM 931 O GLY A 61 -2.008 -15.533 17.082 1.00 0.00 O ATOM 0 H GLY A 61 -2.133 -14.218 13.262 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -2.983 -15.950 14.601 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -1.385 -16.658 14.740 1.00 0.00 H new ATOM 935 N ARG A 62 -1.224 -13.768 15.963 1.00 0.00 N ATOM 936 CA ARG A 62 -1.060 -12.977 17.164 1.00 0.00 C ATOM 937 C ARG A 62 -1.874 -11.696 17.058 1.00 0.00 C ATOM 938 O ARG A 62 -1.955 -11.098 15.990 1.00 0.00 O ATOM 939 CB ARG A 62 0.430 -12.708 17.441 1.00 0.00 C ATOM 940 CG ARG A 62 1.223 -12.118 16.283 1.00 0.00 C ATOM 941 CD ARG A 62 1.022 -10.619 16.144 1.00 0.00 C ATOM 942 NE ARG A 62 1.695 -9.863 17.199 1.00 0.00 N ATOM 943 CZ ARG A 62 1.530 -8.557 17.391 1.00 0.00 C ATOM 944 NH1 ARG A 62 0.668 -7.888 16.647 1.00 0.00 N ATOM 945 NH2 ARG A 62 2.226 -7.919 18.326 1.00 0.00 N ATOM 0 H ARG A 62 -0.931 -13.305 15.102 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.440 -13.536 18.019 1.00 0.00 H new ATOM 0 HB2 ARG A 62 0.505 -12.030 18.291 1.00 0.00 H new ATOM 0 HB3 ARG A 62 0.900 -13.645 17.738 1.00 0.00 H new ATOM 0 HG2 ARG A 62 2.283 -12.327 16.429 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.926 -12.609 15.356 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.397 -10.294 15.173 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -0.045 -10.395 16.165 1.00 0.00 H new ATOM 0 HE ARG A 62 2.327 -10.365 17.823 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.131 -8.373 15.928 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.539 -6.887 16.792 1.00 0.00 H new ATOM 0 HH21 ARG A 62 2.893 -8.431 18.903 1.00 0.00 H new ATOM 0 HH22 ARG A 62 2.093 -6.917 18.466 1.00 0.00 H new ATOM 959 N ARG A 63 -2.486 -11.287 18.152 1.00 0.00 N ATOM 960 CA ARG A 63 -3.371 -10.125 18.121 1.00 0.00 C ATOM 961 C ARG A 63 -2.611 -8.838 17.880 1.00 0.00 C ATOM 962 O ARG A 63 -1.545 -8.613 18.443 1.00 0.00 O ATOM 963 CB ARG A 63 -4.248 -10.019 19.385 1.00 0.00 C ATOM 964 CG ARG A 63 -3.481 -9.893 20.690 1.00 0.00 C ATOM 965 CD ARG A 63 -3.323 -11.236 21.384 1.00 0.00 C ATOM 966 NE ARG A 63 -4.594 -11.736 21.912 1.00 0.00 N ATOM 967 CZ ARG A 63 -4.757 -12.943 22.465 1.00 0.00 C ATOM 968 NH1 ARG A 63 -3.743 -13.798 22.517 1.00 0.00 N ATOM 969 NH2 ARG A 63 -5.938 -13.296 22.956 1.00 0.00 N ATOM 0 H ARG A 63 -2.393 -11.731 19.066 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.040 -10.278 17.275 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -4.904 -9.155 19.282 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -4.887 -10.900 19.440 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -2.497 -9.467 20.494 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -4.001 -9.201 21.352 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -2.913 -11.961 20.681 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -2.605 -11.140 22.199 1.00 0.00 H new ATOM 0 HE ARG A 63 -5.408 -11.124 21.854 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -2.835 -13.536 22.134 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -3.872 -14.717 22.940 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -6.723 -12.647 22.912 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -6.061 -14.217 23.377 1.00 0.00 H new ATOM 983 N ILE A 64 -3.183 -8.007 17.033 1.00 0.00 N ATOM 984 CA ILE A 64 -2.590 -6.725 16.665 1.00 0.00 C ATOM 985 C ILE A 64 -2.911 -5.671 17.706 1.00 0.00 C ATOM 986 O ILE A 64 -4.081 -5.427 18.026 1.00 0.00 O ATOM 987 CB ILE A 64 -3.095 -6.266 15.276 1.00 0.00 C ATOM 988 CG1 ILE A 64 -2.712 -7.307 14.222 1.00 0.00 C ATOM 989 CG2 ILE A 64 -2.532 -4.893 14.910 1.00 0.00 C ATOM 990 CD1 ILE A 64 -3.333 -7.064 12.870 1.00 0.00 C ATOM 0 H ILE A 64 -4.075 -8.197 16.576 1.00 0.00 H new ATOM 0 HA ILE A 64 -1.509 -6.855 16.618 1.00 0.00 H new ATOM 0 HB ILE A 64 -4.181 -6.176 15.311 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.627 -7.320 14.116 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -3.010 -8.294 14.576 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -2.904 -4.597 13.929 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -2.846 -4.161 15.654 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.443 -4.941 14.886 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -3.014 -7.843 12.178 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -4.419 -7.081 12.960 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -3.015 -6.092 12.493 1.00 0.00 H new ATOM 1002 N ASN A 65 -1.866 -5.054 18.214 1.00 0.00 N ATOM 1003 CA ASN A 65 -1.961 -4.055 19.258 1.00 0.00 C ATOM 1004 C ASN A 65 -1.890 -2.657 18.665 1.00 0.00 C ATOM 1005 O ASN A 65 -1.483 -2.474 17.518 1.00 0.00 O ATOM 1006 CB ASN A 65 -0.798 -4.222 20.248 1.00 0.00 C ATOM 1007 CG ASN A 65 -0.771 -5.571 20.942 1.00 0.00 C ATOM 1008 OD1 ASN A 65 -1.812 -6.143 21.276 1.00 0.00 O ATOM 1009 ND2 ASN A 65 0.423 -6.096 21.146 1.00 0.00 N ATOM 0 H ASN A 65 -0.910 -5.235 17.908 1.00 0.00 H new ATOM 0 HA ASN A 65 -2.914 -4.188 19.770 1.00 0.00 H new ATOM 0 HB2 ASN A 65 0.143 -4.079 19.716 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.860 -3.437 21.002 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.509 -7.008 21.595 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.259 -5.590 20.854 1.00 0.00 H new ATOM 1016 N ASP A 66 -2.307 -1.669 19.437 1.00 0.00 N ATOM 1017 CA ASP A 66 -2.183 -0.273 19.024 1.00 0.00 C ATOM 1018 C ASP A 66 -0.772 0.213 19.314 1.00 0.00 C ATOM 1019 O ASP A 66 -0.387 1.322 18.936 1.00 0.00 O ATOM 1020 CB ASP A 66 -3.202 0.620 19.756 1.00 0.00 C ATOM 1021 CG ASP A 66 -2.983 0.672 21.258 1.00 0.00 C ATOM 1022 OD1 ASP A 66 -3.383 -0.275 21.950 1.00 0.00 O ATOM 1023 OD2 ASP A 66 -2.413 1.665 21.747 1.00 0.00 O ATOM 0 H ASP A 66 -2.735 -1.802 20.353 1.00 0.00 H new ATOM 0 HA ASP A 66 -2.388 -0.210 17.955 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.145 1.631 19.352 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -4.208 0.252 19.555 1.00 0.00 H new ATOM 1028 N ASP A 67 -0.014 -0.644 19.982 1.00 0.00 N ATOM 1029 CA ASP A 67 1.355 -0.346 20.384 1.00 0.00 C ATOM 1030 C ASP A 67 2.372 -1.021 19.449 1.00 0.00 C ATOM 1031 O ASP A 67 3.582 -0.783 19.551 1.00 0.00 O ATOM 1032 CB ASP A 67 1.564 -0.801 21.839 1.00 0.00 C ATOM 1033 CG ASP A 67 2.951 -0.503 22.379 1.00 0.00 C ATOM 1034 OD1 ASP A 67 3.298 0.689 22.514 1.00 0.00 O ATOM 1035 OD2 ASP A 67 3.684 -1.461 22.703 1.00 0.00 O ATOM 0 H ASP A 67 -0.332 -1.572 20.263 1.00 0.00 H new ATOM 0 HA ASP A 67 1.518 0.729 20.313 1.00 0.00 H new ATOM 0 HB2 ASP A 67 0.824 -0.312 22.473 1.00 0.00 H new ATOM 0 HB3 ASP A 67 1.381 -1.874 21.905 1.00 0.00 H new ATOM 1040 N ASP A 68 1.879 -1.852 18.530 1.00 0.00 N ATOM 1041 CA ASP A 68 2.750 -2.565 17.591 1.00 0.00 C ATOM 1042 C ASP A 68 3.523 -1.614 16.691 1.00 0.00 C ATOM 1043 O ASP A 68 3.053 -0.523 16.359 1.00 0.00 O ATOM 1044 CB ASP A 68 1.956 -3.550 16.743 1.00 0.00 C ATOM 1045 CG ASP A 68 1.471 -4.747 17.525 1.00 0.00 C ATOM 1046 OD1 ASP A 68 2.078 -5.081 18.569 1.00 0.00 O ATOM 1047 OD2 ASP A 68 0.482 -5.364 17.104 1.00 0.00 O ATOM 0 H ASP A 68 0.885 -2.049 18.415 1.00 0.00 H new ATOM 0 HA ASP A 68 3.471 -3.117 18.194 1.00 0.00 H new ATOM 0 HB2 ASP A 68 1.099 -3.037 16.307 1.00 0.00 H new ATOM 0 HB3 ASP A 68 2.578 -3.892 15.915 1.00 0.00 H new ATOM 1052 N THR A 69 4.713 -2.034 16.308 1.00 0.00 N ATOM 1053 CA THR A 69 5.581 -1.244 15.465 1.00 0.00 C ATOM 1054 C THR A 69 5.767 -1.920 14.101 1.00 0.00 C ATOM 1055 O THR A 69 5.552 -3.133 13.968 1.00 0.00 O ATOM 1056 CB THR A 69 6.958 -1.049 16.138 1.00 0.00 C ATOM 1057 OG1 THR A 69 7.526 -2.329 16.457 1.00 0.00 O ATOM 1058 CG2 THR A 69 6.833 -0.214 17.405 1.00 0.00 C ATOM 0 H THR A 69 5.104 -2.937 16.575 1.00 0.00 H new ATOM 0 HA THR A 69 5.115 -0.270 15.318 1.00 0.00 H new ATOM 0 HB THR A 69 7.609 -0.521 15.441 1.00 0.00 H new ATOM 0 HG1 THR A 69 8.400 -2.202 16.882 1.00 0.00 H new ATOM 0 HG21 THR A 69 7.816 -0.092 17.859 1.00 0.00 H new ATOM 0 HG22 THR A 69 6.424 0.765 17.156 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.169 -0.717 18.108 1.00 0.00 H new ATOM 1066 N PRO A 70 6.179 -1.149 13.071 1.00 0.00 N ATOM 1067 CA PRO A 70 6.365 -1.671 11.703 1.00 0.00 C ATOM 1068 C PRO A 70 7.312 -2.859 11.660 1.00 0.00 C ATOM 1069 O PRO A 70 7.081 -3.825 10.941 1.00 0.00 O ATOM 1070 CB PRO A 70 7.002 -0.488 10.969 1.00 0.00 C ATOM 1071 CG PRO A 70 6.528 0.704 11.710 1.00 0.00 C ATOM 1072 CD PRO A 70 6.494 0.293 13.148 1.00 0.00 C ATOM 0 HA PRO A 70 5.428 -2.025 11.273 1.00 0.00 H new ATOM 0 HB2 PRO A 70 8.090 -0.554 10.977 1.00 0.00 H new ATOM 0 HB3 PRO A 70 6.693 -0.455 9.924 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.197 1.551 11.560 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.541 1.013 11.367 1.00 0.00 H new ATOM 0 HD2 PRO A 70 7.449 0.472 13.642 1.00 0.00 H new ATOM 0 HD3 PRO A 70 5.737 0.843 13.708 1.00 0.00 H new ATOM 1080 N LYS A 71 8.364 -2.786 12.454 1.00 0.00 N ATOM 1081 CA LYS A 71 9.378 -3.814 12.492 1.00 0.00 C ATOM 1082 C LYS A 71 8.874 -5.127 13.102 1.00 0.00 C ATOM 1083 O LYS A 71 9.106 -6.199 12.547 1.00 0.00 O ATOM 1084 CB LYS A 71 10.532 -3.319 13.298 1.00 0.00 C ATOM 1085 CG LYS A 71 10.084 -2.709 14.596 1.00 0.00 C ATOM 1086 CD LYS A 71 11.205 -2.508 15.506 1.00 0.00 C ATOM 1087 CE LYS A 71 11.754 -3.841 15.975 1.00 0.00 C ATOM 1088 NZ LYS A 71 12.843 -3.676 16.972 1.00 0.00 N ATOM 0 H LYS A 71 8.536 -2.008 13.091 1.00 0.00 H new ATOM 0 HA LYS A 71 9.668 -4.025 11.463 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.215 -4.144 13.501 1.00 0.00 H new ATOM 0 HB3 LYS A 71 11.088 -2.580 12.721 1.00 0.00 H new ATOM 0 HG2 LYS A 71 9.596 -1.754 14.401 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.343 -3.355 15.067 1.00 0.00 H new ATOM 0 HD2 LYS A 71 11.990 -1.941 15.006 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.883 -1.918 16.364 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.949 -4.431 16.413 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.129 -4.400 15.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 13.189 -4.612 17.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 13.623 -3.135 16.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 12.479 -3.165 17.802 1.00 0.00 H new ATOM 1102 N THR A 72 8.183 -5.040 14.247 1.00 0.00 N ATOM 1103 CA THR A 72 7.716 -6.240 14.930 1.00 0.00 C ATOM 1104 C THR A 72 6.649 -6.949 14.111 1.00 0.00 C ATOM 1105 O THR A 72 6.478 -8.165 14.211 1.00 0.00 O ATOM 1106 CB THR A 72 7.190 -5.947 16.372 1.00 0.00 C ATOM 1107 OG1 THR A 72 7.032 -7.175 17.098 1.00 0.00 O ATOM 1108 CG2 THR A 72 5.855 -5.220 16.341 1.00 0.00 C ATOM 0 H THR A 72 7.941 -4.163 14.709 1.00 0.00 H new ATOM 0 HA THR A 72 8.581 -6.896 15.032 1.00 0.00 H new ATOM 0 HB THR A 72 7.924 -5.310 16.865 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.704 -6.981 18.001 1.00 0.00 H new ATOM 0 HG21 THR A 72 5.519 -5.032 17.361 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.969 -4.271 15.816 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.118 -5.834 15.823 1.00 0.00 H new ATOM 1116 N LEU A 73 5.939 -6.194 13.299 1.00 0.00 N ATOM 1117 CA LEU A 73 4.923 -6.777 12.454 1.00 0.00 C ATOM 1118 C LEU A 73 5.506 -7.168 11.105 1.00 0.00 C ATOM 1119 O LEU A 73 4.983 -8.049 10.433 1.00 0.00 O ATOM 1120 CB LEU A 73 3.757 -5.806 12.265 1.00 0.00 C ATOM 1121 CG LEU A 73 3.029 -5.389 13.542 1.00 0.00 C ATOM 1122 CD1 LEU A 73 1.935 -4.382 13.228 1.00 0.00 C ATOM 1123 CD2 LEU A 73 2.448 -6.606 14.242 1.00 0.00 C ATOM 0 H LEU A 73 6.046 -5.184 13.208 1.00 0.00 H new ATOM 0 HA LEU A 73 4.550 -7.676 12.944 1.00 0.00 H new ATOM 0 HB2 LEU A 73 4.132 -4.909 11.773 1.00 0.00 H new ATOM 0 HB3 LEU A 73 3.034 -6.262 11.589 1.00 0.00 H new ATOM 0 HG LEU A 73 3.748 -4.916 14.211 1.00 0.00 H new ATOM 0 HD11 LEU A 73 1.428 -4.097 14.150 1.00 0.00 H new ATOM 0 HD12 LEU A 73 2.376 -3.498 12.768 1.00 0.00 H new ATOM 0 HD13 LEU A 73 1.216 -4.828 12.541 1.00 0.00 H new ATOM 0 HD21 LEU A 73 1.933 -6.292 15.150 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.742 -7.105 13.578 1.00 0.00 H new ATOM 0 HD23 LEU A 73 3.252 -7.295 14.501 1.00 0.00 H new ATOM 1135 N GLU A 74 6.622 -6.529 10.745 1.00 0.00 N ATOM 1136 CA GLU A 74 7.289 -6.751 9.462 1.00 0.00 C ATOM 1137 C GLU A 74 6.285 -6.819 8.296 1.00 0.00 C ATOM 1138 O GLU A 74 6.341 -7.725 7.460 1.00 0.00 O ATOM 1139 CB GLU A 74 8.139 -8.013 9.520 1.00 0.00 C ATOM 1140 CG GLU A 74 9.241 -8.034 8.487 1.00 0.00 C ATOM 1141 CD GLU A 74 10.121 -6.810 8.578 1.00 0.00 C ATOM 1142 OE1 GLU A 74 10.943 -6.734 9.508 1.00 0.00 O ATOM 1143 OE2 GLU A 74 9.984 -5.910 7.722 1.00 0.00 O ATOM 0 H GLU A 74 7.089 -5.842 11.337 1.00 0.00 H new ATOM 0 HA GLU A 74 7.940 -5.897 9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 74 8.579 -8.102 10.513 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.498 -8.883 9.376 1.00 0.00 H new ATOM 0 HG2 GLU A 74 9.848 -8.929 8.622 1.00 0.00 H new ATOM 0 HG3 GLU A 74 8.803 -8.093 7.490 1.00 0.00 H new ATOM 1150 N MET A 75 5.376 -5.860 8.252 1.00 0.00 N ATOM 1151 CA MET A 75 4.362 -5.816 7.208 1.00 0.00 C ATOM 1152 C MET A 75 4.890 -5.119 5.970 1.00 0.00 C ATOM 1153 O MET A 75 5.882 -4.380 6.030 1.00 0.00 O ATOM 1154 CB MET A 75 3.101 -5.102 7.695 1.00 0.00 C ATOM 1155 CG MET A 75 2.447 -5.751 8.895 1.00 0.00 C ATOM 1156 SD MET A 75 0.849 -5.015 9.303 1.00 0.00 S ATOM 1157 CE MET A 75 1.342 -3.364 9.800 1.00 0.00 C ATOM 0 H MET A 75 5.318 -5.099 8.928 1.00 0.00 H new ATOM 0 HA MET A 75 4.109 -6.846 6.957 1.00 0.00 H new ATOM 0 HB2 MET A 75 3.354 -4.072 7.946 1.00 0.00 H new ATOM 0 HB3 MET A 75 2.380 -5.064 6.878 1.00 0.00 H new ATOM 0 HG2 MET A 75 2.313 -6.815 8.699 1.00 0.00 H new ATOM 0 HG3 MET A 75 3.111 -5.667 9.755 1.00 0.00 H new ATOM 0 HE1 MET A 75 0.845 -3.101 10.734 1.00 0.00 H new ATOM 0 HE2 MET A 75 2.422 -3.335 9.943 1.00 0.00 H new ATOM 0 HE3 MET A 75 1.059 -2.651 9.025 1.00 0.00 H new ATOM 1167 N GLU A 76 4.228 -5.353 4.853 1.00 0.00 N ATOM 1168 CA GLU A 76 4.589 -4.747 3.598 1.00 0.00 C ATOM 1169 C GLU A 76 3.339 -4.524 2.769 1.00 0.00 C ATOM 1170 O GLU A 76 2.231 -4.814 3.224 1.00 0.00 O ATOM 1171 CB GLU A 76 5.598 -5.606 2.830 1.00 0.00 C ATOM 1172 CG GLU A 76 5.120 -7.014 2.533 1.00 0.00 C ATOM 1173 CD GLU A 76 6.083 -7.769 1.651 1.00 0.00 C ATOM 1174 OE1 GLU A 76 5.767 -7.963 0.461 1.00 0.00 O ATOM 1175 OE2 GLU A 76 7.166 -8.160 2.135 1.00 0.00 O ATOM 0 H GLU A 76 3.421 -5.974 4.797 1.00 0.00 H new ATOM 0 HA GLU A 76 5.067 -3.789 3.801 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.838 -5.110 1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.522 -5.662 3.405 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.987 -7.556 3.469 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.145 -6.970 2.049 1.00 0.00 H new ATOM 1182 N ASP A 77 3.513 -4.004 1.575 1.00 0.00 N ATOM 1183 CA ASP A 77 2.397 -3.708 0.698 1.00 0.00 C ATOM 1184 C ASP A 77 1.674 -4.985 0.266 1.00 0.00 C ATOM 1185 O ASP A 77 2.271 -5.881 -0.337 1.00 0.00 O ATOM 1186 CB ASP A 77 2.877 -2.925 -0.518 1.00 0.00 C ATOM 1187 CG ASP A 77 1.740 -2.356 -1.340 1.00 0.00 C ATOM 1188 OD1 ASP A 77 0.950 -1.573 -0.786 1.00 0.00 O ATOM 1189 OD2 ASP A 77 1.658 -2.650 -2.553 1.00 0.00 O ATOM 0 H ASP A 77 4.426 -3.774 1.184 1.00 0.00 H new ATOM 0 HA ASP A 77 1.684 -3.097 1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.522 -2.111 -0.188 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.483 -3.577 -1.147 1.00 0.00 H new ATOM 1194 N ASP A 78 0.393 -5.042 0.611 1.00 0.00 N ATOM 1195 CA ASP A 78 -0.517 -6.167 0.320 1.00 0.00 C ATOM 1196 C ASP A 78 -0.247 -7.356 1.220 1.00 0.00 C ATOM 1197 O ASP A 78 -0.418 -8.510 0.808 1.00 0.00 O ATOM 1198 CB ASP A 78 -0.482 -6.607 -1.138 1.00 0.00 C ATOM 1199 CG ASP A 78 -1.352 -5.797 -2.052 1.00 0.00 C ATOM 1200 OD1 ASP A 78 -2.560 -6.102 -2.147 1.00 0.00 O ATOM 1201 OD2 ASP A 78 -0.841 -4.876 -2.708 1.00 0.00 O ATOM 0 H ASP A 78 -0.066 -4.286 1.119 1.00 0.00 H new ATOM 0 HA ASP A 78 -1.518 -5.786 0.523 1.00 0.00 H new ATOM 0 HB2 ASP A 78 0.546 -6.555 -1.496 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -0.788 -7.652 -1.197 1.00 0.00 H new ATOM 1206 N ASP A 79 0.164 -7.085 2.453 1.00 0.00 N ATOM 1207 CA ASP A 79 0.391 -8.157 3.419 1.00 0.00 C ATOM 1208 C ASP A 79 -0.944 -8.751 3.825 1.00 0.00 C ATOM 1209 O ASP A 79 -1.996 -8.262 3.421 1.00 0.00 O ATOM 1210 CB ASP A 79 1.123 -7.666 4.652 1.00 0.00 C ATOM 1211 CG ASP A 79 1.969 -8.752 5.299 1.00 0.00 C ATOM 1212 OD1 ASP A 79 3.204 -8.720 5.137 1.00 0.00 O ATOM 1213 OD2 ASP A 79 1.405 -9.647 5.956 1.00 0.00 O ATOM 0 H ASP A 79 0.345 -6.145 2.806 1.00 0.00 H new ATOM 0 HA ASP A 79 1.017 -8.912 2.943 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.762 -6.826 4.381 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.399 -7.294 5.377 1.00 0.00 H new ATOM 1218 N VAL A 80 -0.913 -9.768 4.628 1.00 0.00 N ATOM 1219 CA VAL A 80 -2.113 -10.474 4.970 1.00 0.00 C ATOM 1220 C VAL A 80 -2.387 -10.399 6.462 1.00 0.00 C ATOM 1221 O VAL A 80 -1.488 -10.558 7.289 1.00 0.00 O ATOM 1222 CB VAL A 80 -2.017 -11.930 4.541 1.00 0.00 C ATOM 1223 CG1 VAL A 80 -3.345 -12.639 4.726 1.00 0.00 C ATOM 1224 CG2 VAL A 80 -1.519 -12.020 3.114 1.00 0.00 C ATOM 0 H VAL A 80 -0.065 -10.132 5.063 1.00 0.00 H new ATOM 0 HA VAL A 80 -2.938 -9.998 4.441 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.295 -12.440 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -3.249 -13.678 4.412 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -3.634 -12.602 5.776 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -4.108 -12.146 4.123 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -1.454 -13.067 2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -2.211 -11.498 2.454 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -0.533 -11.561 3.043 1.00 0.00 H new ATOM 1234 N ILE A 81 -3.625 -10.165 6.783 1.00 0.00 N ATOM 1235 CA ILE A 81 -4.082 -10.012 8.140 1.00 0.00 C ATOM 1236 C ILE A 81 -5.319 -10.868 8.381 1.00 0.00 C ATOM 1237 O ILE A 81 -6.201 -10.953 7.528 1.00 0.00 O ATOM 1238 CB ILE A 81 -4.319 -8.512 8.480 1.00 0.00 C ATOM 1239 CG1 ILE A 81 -3.057 -7.918 9.133 1.00 0.00 C ATOM 1240 CG2 ILE A 81 -5.561 -8.288 9.325 1.00 0.00 C ATOM 1241 CD1 ILE A 81 -3.142 -6.439 9.444 1.00 0.00 C ATOM 0 H ILE A 81 -4.369 -10.072 6.091 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.306 -10.367 8.818 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.508 -7.984 7.545 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.854 -8.459 10.057 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.208 -8.088 8.471 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -5.674 -7.224 9.530 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.437 -8.649 8.787 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -5.464 -8.830 10.265 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.209 -6.109 9.901 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -3.311 -5.882 8.522 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -3.967 -6.259 10.133 1.00 0.00 H new ATOM 1253 N GLU A 82 -5.371 -11.503 9.538 1.00 0.00 N ATOM 1254 CA GLU A 82 -6.421 -12.453 9.848 1.00 0.00 C ATOM 1255 C GLU A 82 -7.460 -11.843 10.775 1.00 0.00 C ATOM 1256 O GLU A 82 -7.137 -11.026 11.640 1.00 0.00 O ATOM 1257 CB GLU A 82 -5.798 -13.668 10.514 1.00 0.00 C ATOM 1258 CG GLU A 82 -4.735 -14.347 9.665 1.00 0.00 C ATOM 1259 CD GLU A 82 -5.277 -14.900 8.374 1.00 0.00 C ATOM 1260 OE1 GLU A 82 -6.298 -15.615 8.411 1.00 0.00 O ATOM 1261 OE2 GLU A 82 -4.668 -14.649 7.320 1.00 0.00 O ATOM 0 H GLU A 82 -4.689 -11.375 10.286 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.921 -12.738 8.922 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -5.355 -13.365 11.463 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.583 -14.389 10.744 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -3.943 -13.631 9.443 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.282 -15.156 10.238 1.00 0.00 H new ATOM 1268 N VAL A 83 -8.700 -12.235 10.589 1.00 0.00 N ATOM 1269 CA VAL A 83 -9.790 -11.761 11.422 1.00 0.00 C ATOM 1270 C VAL A 83 -10.575 -12.913 12.005 1.00 0.00 C ATOM 1271 O VAL A 83 -10.964 -13.842 11.294 1.00 0.00 O ATOM 1272 CB VAL A 83 -10.751 -10.826 10.655 1.00 0.00 C ATOM 1273 CG1 VAL A 83 -11.942 -10.436 11.516 1.00 0.00 C ATOM 1274 CG2 VAL A 83 -10.024 -9.593 10.217 1.00 0.00 C ATOM 0 H VAL A 83 -8.984 -12.889 9.860 1.00 0.00 H new ATOM 0 HA VAL A 83 -9.330 -11.191 12.229 1.00 0.00 H new ATOM 0 HB VAL A 83 -11.119 -11.364 9.782 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -12.601 -9.778 10.949 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.489 -11.332 11.808 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -11.592 -9.918 12.409 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -10.709 -8.939 9.677 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -9.636 -9.070 11.091 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -9.197 -9.871 9.564 1.00 0.00 H new ATOM 1284 N TYR A 84 -10.796 -12.848 13.293 1.00 0.00 N ATOM 1285 CA TYR A 84 -11.578 -13.829 13.986 1.00 0.00 C ATOM 1286 C TYR A 84 -12.981 -13.303 14.202 1.00 0.00 C ATOM 1287 O TYR A 84 -13.233 -12.113 14.003 1.00 0.00 O ATOM 1288 CB TYR A 84 -10.901 -14.250 15.283 1.00 0.00 C ATOM 1289 CG TYR A 84 -9.686 -15.114 15.036 1.00 0.00 C ATOM 1290 CD1 TYR A 84 -8.426 -14.559 14.842 1.00 0.00 C ATOM 1291 CD2 TYR A 84 -9.807 -16.493 14.971 1.00 0.00 C ATOM 1292 CE1 TYR A 84 -7.328 -15.358 14.589 1.00 0.00 C ATOM 1293 CE2 TYR A 84 -8.716 -17.296 14.725 1.00 0.00 C ATOM 1294 CZ TYR A 84 -7.482 -16.727 14.533 1.00 0.00 C ATOM 1295 OH TYR A 84 -6.392 -17.532 14.281 1.00 0.00 O ATOM 0 H TYR A 84 -10.434 -12.106 13.891 1.00 0.00 H new ATOM 0 HA TYR A 84 -11.654 -14.730 13.377 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -10.606 -13.362 15.842 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -11.613 -14.795 15.903 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.304 -13.487 14.890 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -10.776 -16.947 15.116 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -6.356 -14.913 14.436 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -8.831 -18.369 14.683 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.673 -18.471 14.276 1.00 0.00 H new ATOM 1305 N GLN A 85 -13.884 -14.165 14.615 1.00 0.00 N ATOM 1306 CA GLN A 85 -15.289 -13.810 14.661 1.00 0.00 C ATOM 1307 C GLN A 85 -15.552 -12.734 15.711 1.00 0.00 C ATOM 1308 O GLN A 85 -15.125 -12.843 16.865 1.00 0.00 O ATOM 1309 CB GLN A 85 -16.134 -15.045 14.951 1.00 0.00 C ATOM 1310 CG GLN A 85 -17.586 -14.877 14.577 1.00 0.00 C ATOM 1311 CD GLN A 85 -17.770 -14.768 13.072 1.00 0.00 C ATOM 1312 OE1 GLN A 85 -17.019 -15.357 12.297 1.00 0.00 O ATOM 1313 NE2 GLN A 85 -18.737 -13.997 12.647 1.00 0.00 N ATOM 0 H GLN A 85 -13.674 -15.114 14.923 1.00 0.00 H new ATOM 0 HA GLN A 85 -15.568 -13.407 13.687 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -15.722 -15.895 14.406 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -16.065 -15.283 16.012 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -18.159 -15.724 14.953 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -17.985 -13.984 15.058 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -19.343 -13.522 13.317 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -18.886 -13.870 11.646 1.00 0.00 H new ATOM 1322 N GLU A 86 -16.253 -11.695 15.283 1.00 0.00 N ATOM 1323 CA GLU A 86 -16.560 -10.536 16.103 1.00 0.00 C ATOM 1324 C GLU A 86 -17.483 -10.872 17.282 1.00 0.00 C ATOM 1325 O GLU A 86 -18.257 -11.832 17.239 1.00 0.00 O ATOM 1326 CB GLU A 86 -17.170 -9.430 15.240 1.00 0.00 C ATOM 1327 CG GLU A 86 -18.559 -9.748 14.707 1.00 0.00 C ATOM 1328 CD GLU A 86 -18.571 -10.878 13.699 1.00 0.00 C ATOM 1329 OE1 GLU A 86 -17.568 -11.048 12.970 1.00 0.00 O ATOM 1330 OE2 GLU A 86 -19.574 -11.614 13.651 1.00 0.00 O ATOM 0 H GLU A 86 -16.631 -11.634 14.338 1.00 0.00 H new ATOM 0 HA GLU A 86 -15.621 -10.186 16.532 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -17.220 -8.513 15.827 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -16.506 -9.234 14.398 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -19.210 -10.008 15.542 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -18.976 -8.854 14.244 1.00 0.00 H new ATOM 1337 N GLN A 87 -17.382 -10.064 18.332 1.00 0.00 N ATOM 1338 CA GLN A 87 -18.133 -10.276 19.562 1.00 0.00 C ATOM 1339 C GLN A 87 -19.622 -9.958 19.387 1.00 0.00 C ATOM 1340 O GLN A 87 -20.484 -10.682 19.871 1.00 0.00 O ATOM 1341 CB GLN A 87 -17.543 -9.417 20.680 1.00 0.00 C ATOM 1342 CG GLN A 87 -18.141 -9.686 22.036 1.00 0.00 C ATOM 1343 CD GLN A 87 -17.858 -11.094 22.503 1.00 0.00 C ATOM 1344 OE1 GLN A 87 -16.803 -11.661 22.198 1.00 0.00 O ATOM 1345 NE2 GLN A 87 -18.781 -11.669 23.238 1.00 0.00 N ATOM 0 H GLN A 87 -16.777 -9.243 18.353 1.00 0.00 H new ATOM 0 HA GLN A 87 -18.052 -11.331 19.824 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -16.468 -9.588 20.727 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -17.688 -8.366 20.432 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -17.739 -8.976 22.758 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -19.218 -9.525 21.997 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -19.638 -11.165 23.467 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -18.641 -12.620 23.580 1.00 0.00 H new ATOM 1354 N LEU A 88 -19.904 -8.856 18.698 1.00 0.00 N ATOM 1355 CA LEU A 88 -21.280 -8.408 18.485 1.00 0.00 C ATOM 1356 C LEU A 88 -22.034 -9.373 17.586 1.00 0.00 C ATOM 1357 O LEU A 88 -23.219 -9.645 17.793 1.00 0.00 O ATOM 1358 CB LEU A 88 -21.304 -7.007 17.874 1.00 0.00 C ATOM 1359 CG LEU A 88 -22.692 -6.396 17.667 1.00 0.00 C ATOM 1360 CD1 LEU A 88 -23.403 -6.212 18.999 1.00 0.00 C ATOM 1361 CD2 LEU A 88 -22.593 -5.077 16.925 1.00 0.00 C ATOM 0 H LEU A 88 -19.197 -8.254 18.276 1.00 0.00 H new ATOM 0 HA LEU A 88 -21.773 -8.379 19.457 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -20.726 -6.341 18.515 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -20.796 -7.042 16.911 1.00 0.00 H new ATOM 0 HG LEU A 88 -23.280 -7.085 17.060 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -24.388 -5.776 18.829 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -23.514 -7.179 19.489 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -22.818 -5.548 19.635 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -23.591 -4.660 16.789 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -21.984 -4.380 17.501 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -22.132 -5.241 15.951 1.00 0.00 H new