USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 566 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 Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 95:sc= 1.28 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-0.72) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0626 USER MOD Single : A 31 GLN : amide:sc= -0.181 K(o=-0.18,f=-1.3) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -89:sc= 1.26 USER MOD Single : A 44 SER OG : rot 138:sc= 0.437 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 CYS SG : rot 132:sc= 0.619 USER MOD Single : A 64 TYR OH : rot -30:sc= 1.15 USER MOD Single : A 65 GLN : amide:sc= -0.404 K(o=-0.4,f=-1.3) USER MOD Single : A 67 GLN : amide:sc= -0.174 K(o=-0.17,f=-3.3!) USER MOD Single : A 69 THR OG1 : rot -10:sc= 0.863 USER MOD Single : A 72 SER OG : rot 73:sc= 1.37 USER MOD Single : A 74 MET CE :methyl -169:sc= -0.29 (180deg=-0.604) USER MOD Single : A 76 ASN : amide:sc= -0.319 K(o=-0.32,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= -0.667 K(o=-0.67,f=-4.5!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 0.377 X(o=0.38,f=0) USER MOD ----------------------------------------------------------------- ATOM 160 N ASP A 12 -2.516 -3.551 -9.442 1.00 0.00 N ATOM 161 CA ASP A 12 -3.014 -4.349 -8.329 1.00 0.00 C ATOM 162 C ASP A 12 -2.899 -5.839 -8.624 1.00 0.00 C ATOM 163 O ASP A 12 -2.698 -6.648 -7.718 1.00 0.00 O ATOM 164 CB ASP A 12 -4.472 -3.994 -8.024 1.00 0.00 C ATOM 165 CG ASP A 12 -4.624 -2.632 -7.361 1.00 0.00 C ATOM 166 OD1 ASP A 12 -3.641 -2.109 -6.891 1.00 0.00 O ATOM 167 OD2 ASP A 12 -5.720 -2.127 -7.332 1.00 0.00 O ATOM 0 HA ASP A 12 -2.400 -4.121 -7.458 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -5.045 -4.007 -8.951 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.899 -4.758 -7.374 1.00 0.00 H new ATOM 172 N ARG A 13 -3.029 -6.197 -9.897 1.00 0.00 N ATOM 173 CA ARG A 13 -2.932 -7.590 -10.315 1.00 0.00 C ATOM 174 C ARG A 13 -1.519 -8.126 -10.124 1.00 0.00 C ATOM 175 O ARG A 13 -1.325 -9.315 -9.867 1.00 0.00 O ATOM 176 CB ARG A 13 -3.335 -7.740 -11.775 1.00 0.00 C ATOM 177 CG ARG A 13 -4.825 -7.601 -12.044 1.00 0.00 C ATOM 178 CD ARG A 13 -5.163 -7.941 -13.450 1.00 0.00 C ATOM 179 NE ARG A 13 -4.857 -9.328 -13.762 1.00 0.00 N ATOM 180 CZ ARG A 13 -4.818 -9.842 -15.006 1.00 0.00 C ATOM 181 NH1 ARG A 13 -5.066 -9.073 -16.043 1.00 0.00 N ATOM 182 NH2 ARG A 13 -4.529 -11.119 -15.185 1.00 0.00 N ATOM 0 H ARG A 13 -3.202 -5.540 -10.658 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.613 -8.167 -9.690 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -2.803 -6.992 -12.363 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -3.006 -8.717 -12.129 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -5.379 -8.253 -11.369 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -5.140 -6.579 -11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.223 -7.755 -13.623 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -4.610 -7.287 -14.124 1.00 0.00 H new ATOM 0 HE ARG A 13 -4.658 -9.956 -12.983 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -5.288 -8.087 -15.905 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -5.036 -9.462 -16.985 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -4.335 -11.716 -14.381 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -4.500 -11.508 -16.127 1.00 0.00 H new ATOM 196 N SER A 14 -0.535 -7.243 -10.251 1.00 0.00 N ATOM 197 CA SER A 14 0.859 -7.614 -10.039 1.00 0.00 C ATOM 198 C SER A 14 1.198 -7.660 -8.554 1.00 0.00 C ATOM 199 O SER A 14 2.086 -8.400 -8.133 1.00 0.00 O ATOM 200 CB SER A 14 1.774 -6.633 -10.745 1.00 0.00 C ATOM 201 OG SER A 14 1.739 -5.377 -10.123 1.00 0.00 O ATOM 0 H SER A 14 -0.677 -6.264 -10.500 1.00 0.00 H new ATOM 0 HA SER A 14 1.008 -8.611 -10.455 1.00 0.00 H new ATOM 0 HB2 SER A 14 2.795 -7.016 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 14 1.473 -6.535 -11.788 1.00 0.00 H new ATOM 0 HG SER A 14 2.338 -4.762 -10.595 1.00 0.00 H new ATOM 207 N LEU A 15 0.484 -6.864 -7.765 1.00 0.00 N ATOM 208 CA LEU A 15 0.663 -6.858 -6.318 1.00 0.00 C ATOM 209 C LEU A 15 0.129 -8.140 -5.692 1.00 0.00 C ATOM 210 O LEU A 15 0.692 -8.651 -4.724 1.00 0.00 O ATOM 211 CB LEU A 15 -0.045 -5.646 -5.701 1.00 0.00 C ATOM 212 CG LEU A 15 0.574 -4.279 -6.022 1.00 0.00 C ATOM 213 CD1 LEU A 15 -0.322 -3.175 -5.478 1.00 0.00 C ATOM 214 CD2 LEU A 15 1.969 -4.199 -5.418 1.00 0.00 C ATOM 0 H LEU A 15 -0.225 -6.214 -8.104 1.00 0.00 H new ATOM 0 HA LEU A 15 1.732 -6.795 -6.113 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.081 -5.643 -6.039 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.063 -5.771 -4.618 1.00 0.00 H new ATOM 0 HG LEU A 15 0.659 -4.152 -7.101 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.118 -2.204 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.307 -3.245 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.419 -3.285 -4.398 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.409 -3.228 -5.646 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.905 -4.324 -4.337 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.593 -4.988 -5.838 1.00 0.00 H new ATOM 226 N ARG A 16 -0.962 -8.655 -6.250 1.00 0.00 N ATOM 227 CA ARG A 16 -1.577 -9.876 -5.745 1.00 0.00 C ATOM 228 C ARG A 16 -0.973 -11.110 -6.403 1.00 0.00 C ATOM 229 O ARG A 16 -1.406 -12.235 -6.151 1.00 0.00 O ATOM 230 CB ARG A 16 -3.079 -9.859 -5.987 1.00 0.00 C ATOM 231 CG ARG A 16 -3.492 -9.968 -7.446 1.00 0.00 C ATOM 232 CD ARG A 16 -4.947 -9.728 -7.624 1.00 0.00 C ATOM 233 NE ARG A 16 -5.393 -10.070 -8.965 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.684 -10.174 -9.339 1.00 0.00 C ATOM 235 NH1 ARG A 16 -7.641 -9.959 -8.464 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.987 -10.491 -10.586 1.00 0.00 N ATOM 0 H ARG A 16 -1.438 -8.245 -7.053 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.384 -9.920 -4.673 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.531 -10.682 -5.434 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.488 -8.936 -5.576 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.929 -9.247 -8.039 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.238 -10.958 -7.823 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.504 -10.317 -6.895 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.169 -8.680 -7.424 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.679 -10.243 -9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -7.407 -9.713 -7.502 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -8.618 -10.038 -8.747 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -6.244 -10.657 -11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.964 -10.570 -10.869 1.00 0.00 H new ATOM 250 N SER A 17 0.029 -10.893 -7.248 1.00 0.00 N ATOM 251 CA SER A 17 0.761 -11.992 -7.866 1.00 0.00 C ATOM 252 C SER A 17 2.048 -12.293 -7.108 1.00 0.00 C ATOM 253 O SER A 17 2.687 -11.389 -6.568 1.00 0.00 O ATOM 254 CB SER A 17 1.081 -11.659 -9.310 1.00 0.00 C ATOM 255 OG SER A 17 -0.087 -11.598 -10.082 1.00 0.00 O ATOM 0 H SER A 17 0.353 -9.965 -7.521 1.00 0.00 H new ATOM 0 HA SER A 17 0.128 -12.879 -7.830 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.604 -10.704 -9.359 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.753 -12.412 -9.720 1.00 0.00 H new ATOM 0 HG SER A 17 -0.399 -10.670 -10.131 1.00 0.00 H new ATOM 261 N VAL A 18 2.423 -13.567 -7.070 1.00 0.00 N ATOM 262 CA VAL A 18 3.641 -13.987 -6.388 1.00 0.00 C ATOM 263 C VAL A 18 4.521 -14.829 -7.303 1.00 0.00 C ATOM 264 O VAL A 18 4.053 -15.373 -8.303 1.00 0.00 O ATOM 265 CB VAL A 18 3.295 -14.797 -5.125 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.478 -13.952 -4.158 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.538 -16.059 -5.511 1.00 0.00 C ATOM 0 H VAL A 18 1.900 -14.327 -7.504 1.00 0.00 H new ATOM 0 HA VAL A 18 4.189 -13.088 -6.106 1.00 0.00 H new ATOM 0 HB VAL A 18 4.219 -15.084 -4.624 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.242 -14.540 -3.271 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.053 -13.072 -3.868 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.553 -13.638 -4.641 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.296 -16.627 -4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.617 -15.787 -6.027 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.157 -16.668 -6.170 1.00 0.00 H new ATOM 277 N PHE A 19 5.799 -14.934 -6.954 1.00 0.00 N ATOM 278 CA PHE A 19 6.718 -15.813 -7.666 1.00 0.00 C ATOM 279 C PHE A 19 7.082 -17.029 -6.824 1.00 0.00 C ATOM 280 O PHE A 19 7.464 -16.899 -5.661 1.00 0.00 O ATOM 281 CB PHE A 19 7.990 -15.056 -8.053 1.00 0.00 C ATOM 282 CG PHE A 19 9.020 -15.911 -8.735 1.00 0.00 C ATOM 283 CD1 PHE A 19 8.821 -16.360 -10.032 1.00 0.00 C ATOM 284 CD2 PHE A 19 10.190 -16.267 -8.082 1.00 0.00 C ATOM 285 CE1 PHE A 19 9.768 -17.146 -10.661 1.00 0.00 C ATOM 286 CE2 PHE A 19 11.139 -17.052 -8.708 1.00 0.00 C ATOM 287 CZ PHE A 19 10.927 -17.492 -9.999 1.00 0.00 C ATOM 0 H PHE A 19 6.222 -14.420 -6.181 1.00 0.00 H new ATOM 0 HA PHE A 19 6.214 -16.156 -8.569 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.724 -14.229 -8.712 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.429 -14.620 -7.156 1.00 0.00 H new ATOM 0 HD1 PHE A 19 7.916 -16.092 -10.557 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.362 -15.926 -7.072 1.00 0.00 H new ATOM 0 HE1 PHE A 19 9.600 -17.489 -11.671 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.046 -17.321 -8.188 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.668 -18.106 -10.490 1.00 0.00 H new ATOM 297 N VAL A 20 6.960 -18.212 -7.418 1.00 0.00 N ATOM 298 CA VAL A 20 7.137 -19.459 -6.684 1.00 0.00 C ATOM 299 C VAL A 20 8.312 -20.258 -7.231 1.00 0.00 C ATOM 300 O VAL A 20 8.481 -20.381 -8.445 1.00 0.00 O ATOM 301 CB VAL A 20 5.857 -20.313 -6.765 1.00 0.00 C ATOM 302 CG1 VAL A 20 6.005 -21.576 -5.930 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.660 -19.497 -6.301 1.00 0.00 C ATOM 0 H VAL A 20 6.739 -18.333 -8.406 1.00 0.00 H new ATOM 0 HA VAL A 20 7.342 -19.205 -5.644 1.00 0.00 H new ATOM 0 HB VAL A 20 5.696 -20.611 -7.801 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.092 -22.167 -5.999 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.845 -22.162 -6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.184 -21.305 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.759 -20.107 -6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.815 -19.178 -5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.548 -18.620 -6.939 1.00 0.00 H new ATOM 313 N GLY A 21 9.123 -20.801 -6.330 1.00 0.00 N ATOM 314 CA GLY A 21 10.284 -21.591 -6.721 1.00 0.00 C ATOM 315 C GLY A 21 10.341 -22.905 -5.952 1.00 0.00 C ATOM 316 O GLY A 21 9.483 -23.183 -5.114 1.00 0.00 O ATOM 0 H GLY A 21 8.997 -20.708 -5.322 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.245 -21.794 -7.791 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.194 -21.020 -6.538 1.00 0.00 H new ATOM 320 N ASN A 22 11.356 -23.712 -6.243 1.00 0.00 N ATOM 321 CA ASN A 22 11.508 -25.013 -5.603 1.00 0.00 C ATOM 322 C ASN A 22 10.319 -25.917 -5.903 1.00 0.00 C ATOM 323 O ASN A 22 9.860 -26.662 -5.037 1.00 0.00 O ATOM 324 CB ASN A 22 11.693 -24.853 -4.105 1.00 0.00 C ATOM 325 CG ASN A 22 12.946 -24.099 -3.755 1.00 0.00 C ATOM 326 OD1 ASN A 22 13.967 -24.213 -4.444 1.00 0.00 O ATOM 327 ND2 ASN A 22 12.888 -23.330 -2.698 1.00 0.00 N ATOM 0 H ASN A 22 12.086 -23.487 -6.919 1.00 0.00 H new ATOM 0 HA ASN A 22 12.400 -25.486 -6.013 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.831 -24.331 -3.690 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.724 -25.838 -3.639 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.707 -22.793 -2.412 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.024 -23.267 -2.160 1.00 0.00 H new ATOM 334 N ILE A 23 9.825 -25.848 -7.134 1.00 0.00 N ATOM 335 CA ILE A 23 8.666 -26.634 -7.540 1.00 0.00 C ATOM 336 C ILE A 23 9.089 -27.963 -8.153 1.00 0.00 C ATOM 337 O ILE A 23 9.779 -27.996 -9.172 1.00 0.00 O ATOM 338 CB ILE A 23 7.800 -25.856 -8.548 1.00 0.00 C ATOM 339 CG1 ILE A 23 7.300 -24.550 -7.926 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.630 -26.709 -9.014 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.623 -23.624 -8.911 1.00 0.00 C ATOM 0 H ILE A 23 10.210 -25.255 -7.869 1.00 0.00 H new ATOM 0 HA ILE A 23 8.078 -26.832 -6.643 1.00 0.00 H new ATOM 0 HB ILE A 23 8.413 -25.612 -9.415 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.601 -24.785 -7.123 1.00 0.00 H new ATOM 0 HG13 ILE A 23 8.143 -24.029 -7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.028 -26.144 -9.726 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.007 -27.612 -9.494 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.015 -26.983 -8.157 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.296 -22.721 -8.396 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.325 -23.357 -9.701 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.759 -24.125 -9.347 1.00 0.00 H new ATOM 353 N PRO A 24 8.672 -29.057 -7.526 1.00 0.00 N ATOM 354 CA PRO A 24 8.950 -30.391 -8.045 1.00 0.00 C ATOM 355 C PRO A 24 8.422 -30.551 -9.465 1.00 0.00 C ATOM 356 O PRO A 24 7.353 -30.041 -9.800 1.00 0.00 O ATOM 357 CB PRO A 24 8.212 -31.305 -7.061 1.00 0.00 C ATOM 358 CG PRO A 24 8.145 -30.509 -5.803 1.00 0.00 C ATOM 359 CD PRO A 24 7.923 -29.094 -6.266 1.00 0.00 C ATOM 0 HA PRO A 24 10.015 -30.614 -8.114 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.217 -31.560 -7.424 1.00 0.00 H new ATOM 0 HB3 PRO A 24 8.747 -32.243 -6.911 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.333 -30.849 -5.161 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.066 -30.599 -5.227 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.865 -28.876 -6.415 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.300 -28.367 -5.547 1.00 0.00 H new ATOM 367 N TYR A 25 9.178 -31.261 -10.295 1.00 0.00 N ATOM 368 CA TYR A 25 8.818 -31.438 -11.697 1.00 0.00 C ATOM 369 C TYR A 25 7.571 -32.301 -11.841 1.00 0.00 C ATOM 370 O TYR A 25 6.809 -32.154 -12.796 1.00 0.00 O ATOM 371 CB TYR A 25 9.983 -32.054 -12.475 1.00 0.00 C ATOM 372 CG TYR A 25 11.161 -31.123 -12.649 1.00 0.00 C ATOM 373 CD1 TYR A 25 11.191 -29.908 -11.980 1.00 0.00 C ATOM 374 CD2 TYR A 25 12.213 -31.482 -13.479 1.00 0.00 C ATOM 375 CE1 TYR A 25 12.267 -29.057 -12.139 1.00 0.00 C ATOM 376 CE2 TYR A 25 13.289 -30.631 -13.639 1.00 0.00 C ATOM 377 CZ TYR A 25 13.318 -29.423 -12.972 1.00 0.00 C ATOM 378 OH TYR A 25 14.391 -28.576 -13.131 1.00 0.00 O ATOM 0 H TYR A 25 10.045 -31.724 -10.021 1.00 0.00 H new ATOM 0 HA TYR A 25 8.598 -30.455 -12.113 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.317 -32.954 -11.959 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.628 -32.363 -13.458 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.372 -29.627 -11.334 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.191 -32.428 -14.000 1.00 0.00 H new ATOM 0 HE1 TYR A 25 12.292 -28.111 -11.618 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.107 -30.911 -14.286 1.00 0.00 H new ATOM 0 HH TYR A 25 15.039 -28.981 -13.745 1.00 0.00 H new ATOM 388 N GLU A 26 7.369 -33.203 -10.886 1.00 0.00 N ATOM 389 CA GLU A 26 6.191 -34.062 -10.881 1.00 0.00 C ATOM 390 C GLU A 26 4.964 -33.313 -10.377 1.00 0.00 C ATOM 391 O GLU A 26 3.838 -33.797 -10.491 1.00 0.00 O ATOM 392 CB GLU A 26 6.437 -35.299 -10.014 1.00 0.00 C ATOM 393 CG GLU A 26 6.598 -35.004 -8.530 1.00 0.00 C ATOM 394 CD GLU A 26 8.012 -34.663 -8.151 1.00 0.00 C ATOM 395 OE1 GLU A 26 8.750 -34.236 -9.007 1.00 0.00 O ATOM 396 OE2 GLU A 26 8.356 -34.828 -7.005 1.00 0.00 O ATOM 0 H GLU A 26 8.007 -33.358 -10.105 1.00 0.00 H new ATOM 0 HA GLU A 26 6.003 -34.375 -11.908 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.606 -35.992 -10.146 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.334 -35.805 -10.371 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.944 -34.176 -8.256 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.272 -35.871 -7.955 1.00 0.00 H new ATOM 403 N ALA A 27 5.189 -32.128 -9.818 1.00 0.00 N ATOM 404 CA ALA A 27 4.100 -31.301 -9.311 1.00 0.00 C ATOM 405 C ALA A 27 3.455 -30.493 -10.429 1.00 0.00 C ATOM 406 O ALA A 27 4.123 -30.089 -11.381 1.00 0.00 O ATOM 407 CB ALA A 27 4.605 -30.377 -8.213 1.00 0.00 C ATOM 0 H ALA A 27 6.116 -31.719 -9.705 1.00 0.00 H new ATOM 0 HA ALA A 27 3.341 -31.963 -8.894 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.781 -29.766 -7.844 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.010 -30.972 -7.394 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.386 -29.730 -8.612 1.00 0.00 H new ATOM 413 N THR A 28 2.153 -30.259 -10.308 1.00 0.00 N ATOM 414 CA THR A 28 1.410 -29.519 -11.320 1.00 0.00 C ATOM 415 C THR A 28 0.758 -28.277 -10.727 1.00 0.00 C ATOM 416 O THR A 28 0.796 -28.063 -9.515 1.00 0.00 O ATOM 417 CB THR A 28 0.334 -30.405 -11.976 1.00 0.00 C ATOM 418 OG1 THR A 28 -0.689 -30.706 -11.019 1.00 0.00 O ATOM 419 CG2 THR A 28 0.947 -31.701 -12.484 1.00 0.00 C ATOM 0 H THR A 28 1.590 -30.572 -9.517 1.00 0.00 H new ATOM 0 HA THR A 28 2.125 -29.209 -12.082 1.00 0.00 H new ATOM 0 HB THR A 28 -0.096 -29.865 -12.819 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.374 -31.268 -11.438 1.00 0.00 H new ATOM 0 HG21 THR A 28 0.172 -32.314 -12.944 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.717 -31.475 -13.222 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.392 -32.244 -11.650 1.00 0.00 H new ATOM 427 N GLU A 29 0.160 -27.460 -11.588 1.00 0.00 N ATOM 428 CA GLU A 29 -0.562 -26.274 -11.143 1.00 0.00 C ATOM 429 C GLU A 29 -1.778 -26.651 -10.305 1.00 0.00 C ATOM 430 O GLU A 29 -2.168 -25.917 -9.397 1.00 0.00 O ATOM 431 CB GLU A 29 -1.000 -25.434 -12.345 1.00 0.00 C ATOM 432 CG GLU A 29 0.143 -24.756 -13.088 1.00 0.00 C ATOM 433 CD GLU A 29 -0.316 -24.004 -14.306 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.378 -24.300 -14.799 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.396 -23.131 -14.744 1.00 0.00 O ATOM 0 H GLU A 29 0.161 -27.598 -12.599 1.00 0.00 H new ATOM 0 HA GLU A 29 0.114 -25.686 -10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.542 -26.074 -13.042 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.699 -24.670 -12.004 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.651 -24.068 -12.412 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.873 -25.508 -13.386 1.00 0.00 H new ATOM 442 N GLU A 30 -2.372 -27.798 -10.616 1.00 0.00 N ATOM 443 CA GLU A 30 -3.509 -28.302 -9.856 1.00 0.00 C ATOM 444 C GLU A 30 -3.091 -28.727 -8.455 1.00 0.00 C ATOM 445 O GLU A 30 -3.813 -28.500 -7.484 1.00 0.00 O ATOM 446 CB GLU A 30 -4.158 -29.480 -10.585 1.00 0.00 C ATOM 447 CG GLU A 30 -4.868 -29.106 -11.878 1.00 0.00 C ATOM 448 CD GLU A 30 -5.450 -30.295 -12.591 1.00 0.00 C ATOM 449 OE1 GLU A 30 -5.190 -31.399 -12.176 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.155 -30.099 -13.553 1.00 0.00 O ATOM 0 H GLU A 30 -2.084 -28.397 -11.390 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.234 -27.493 -9.767 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.390 -30.221 -10.808 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -4.875 -29.955 -9.916 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -5.665 -28.396 -11.657 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -4.165 -28.600 -12.540 1.00 0.00 H new ATOM 457 N GLN A 31 -1.919 -29.346 -8.355 1.00 0.00 N ATOM 458 CA GLN A 31 -1.352 -29.708 -7.062 1.00 0.00 C ATOM 459 C GLN A 31 -0.995 -28.469 -6.250 1.00 0.00 C ATOM 460 O GLN A 31 -1.215 -28.424 -5.040 1.00 0.00 O ATOM 461 CB GLN A 31 -0.111 -30.586 -7.248 1.00 0.00 C ATOM 462 CG GLN A 31 -0.407 -31.977 -7.782 1.00 0.00 C ATOM 463 CD GLN A 31 0.847 -32.817 -7.935 1.00 0.00 C ATOM 464 OE1 GLN A 31 1.794 -32.692 -7.154 1.00 0.00 O ATOM 465 NE2 GLN A 31 0.860 -33.679 -8.945 1.00 0.00 N ATOM 0 H GLN A 31 -1.343 -29.607 -9.155 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.108 -30.271 -6.514 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.576 -30.085 -7.931 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.402 -30.678 -6.291 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.099 -32.482 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -0.905 -31.894 -8.748 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.054 -33.749 -9.566 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.676 -34.271 -9.099 1.00 0.00 H new ATOM 474 N LEU A 32 -0.444 -27.465 -6.924 1.00 0.00 N ATOM 475 CA LEU A 32 -0.161 -26.183 -6.291 1.00 0.00 C ATOM 476 C LEU A 32 -1.445 -25.478 -5.875 1.00 0.00 C ATOM 477 O LEU A 32 -1.494 -24.817 -4.837 1.00 0.00 O ATOM 478 CB LEU A 32 0.636 -25.285 -7.246 1.00 0.00 C ATOM 479 CG LEU A 32 2.073 -25.736 -7.539 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.664 -24.867 -8.641 1.00 0.00 C ATOM 481 CD2 LEU A 32 2.903 -25.646 -6.267 1.00 0.00 C ATOM 0 H LEU A 32 -0.185 -27.515 -7.909 1.00 0.00 H new ATOM 0 HA LEU A 32 0.431 -26.376 -5.396 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.095 -25.220 -8.190 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.669 -24.279 -6.827 1.00 0.00 H new ATOM 0 HG LEU A 32 2.076 -26.772 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.685 -25.187 -8.849 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.062 -24.965 -9.544 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.669 -23.825 -8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.924 -25.966 -6.475 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.912 -24.616 -5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.469 -26.291 -5.503 1.00 0.00 H new ATOM 493 N LYS A 33 -2.484 -25.622 -6.690 1.00 0.00 N ATOM 494 CA LYS A 33 -3.786 -25.043 -6.382 1.00 0.00 C ATOM 495 C LYS A 33 -4.308 -25.543 -5.041 1.00 0.00 C ATOM 496 O LYS A 33 -4.760 -24.757 -4.209 1.00 0.00 O ATOM 497 CB LYS A 33 -4.791 -25.364 -7.490 1.00 0.00 C ATOM 498 CG LYS A 33 -6.169 -24.748 -7.287 1.00 0.00 C ATOM 499 CD LYS A 33 -7.093 -25.066 -8.453 1.00 0.00 C ATOM 500 CE LYS A 33 -8.481 -24.483 -8.235 1.00 0.00 C ATOM 501 NZ LYS A 33 -9.397 -24.787 -9.368 1.00 0.00 N ATOM 0 H LYS A 33 -2.450 -26.136 -7.571 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.663 -23.962 -6.318 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.388 -25.017 -8.441 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.898 -26.446 -7.565 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.605 -25.124 -6.361 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.075 -23.667 -7.179 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.669 -24.667 -9.375 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.166 -26.146 -8.578 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -8.901 -24.882 -7.312 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.405 -23.403 -8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -10.332 -24.372 -9.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -9.010 -24.384 -10.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -9.490 -25.818 -9.472 1.00 0.00 H new ATOM 515 N ASP A 34 -4.242 -26.854 -4.838 1.00 0.00 N ATOM 516 CA ASP A 34 -4.660 -27.456 -3.577 1.00 0.00 C ATOM 517 C ASP A 34 -3.890 -26.865 -2.403 1.00 0.00 C ATOM 518 O ASP A 34 -4.471 -26.534 -1.370 1.00 0.00 O ATOM 519 CB ASP A 34 -4.460 -28.973 -3.614 1.00 0.00 C ATOM 520 CG ASP A 34 -5.468 -29.681 -4.508 1.00 0.00 C ATOM 521 OD1 ASP A 34 -6.458 -29.078 -4.849 1.00 0.00 O ATOM 522 OD2 ASP A 34 -5.240 -30.820 -4.841 1.00 0.00 O ATOM 0 H ASP A 34 -3.903 -27.521 -5.531 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.719 -27.237 -3.441 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.452 -29.193 -3.966 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.538 -29.370 -2.602 1.00 0.00 H new ATOM 527 N ILE A 35 -2.578 -26.734 -2.568 1.00 0.00 N ATOM 528 CA ILE A 35 -1.729 -26.157 -1.532 1.00 0.00 C ATOM 529 C ILE A 35 -2.069 -24.691 -1.294 1.00 0.00 C ATOM 530 O ILE A 35 -2.261 -24.266 -0.155 1.00 0.00 O ATOM 531 CB ILE A 35 -0.241 -26.285 -1.908 1.00 0.00 C ATOM 532 CG1 ILE A 35 0.190 -27.754 -1.891 1.00 0.00 C ATOM 533 CG2 ILE A 35 0.619 -25.464 -0.959 1.00 0.00 C ATOM 534 CD1 ILE A 35 1.545 -27.999 -2.513 1.00 0.00 C ATOM 0 H ILE A 35 -2.079 -27.020 -3.410 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.914 -26.713 -0.613 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.104 -25.898 -2.918 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.205 -28.107 -0.860 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.555 -28.348 -2.420 1.00 0.00 H new ATOM 0 HG21 ILE A 35 1.668 -25.565 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.327 -24.415 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 35 0.479 -25.822 0.061 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.781 -29.062 -2.464 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.531 -27.678 -3.555 1.00 0.00 H new ATOM 0 HD13 ILE A 35 2.302 -27.434 -1.970 1.00 0.00 H new ATOM 546 N PHE A 36 -2.143 -23.923 -2.376 1.00 0.00 N ATOM 547 CA PHE A 36 -2.259 -22.473 -2.278 1.00 0.00 C ATOM 548 C PHE A 36 -3.647 -22.062 -1.804 1.00 0.00 C ATOM 549 O PHE A 36 -3.836 -20.964 -1.281 1.00 0.00 O ATOM 550 CB PHE A 36 -1.963 -21.821 -3.630 1.00 0.00 C ATOM 551 CG PHE A 36 -0.505 -21.813 -3.993 1.00 0.00 C ATOM 552 CD1 PHE A 36 0.322 -22.864 -3.623 1.00 0.00 C ATOM 553 CD2 PHE A 36 0.042 -20.756 -4.703 1.00 0.00 C ATOM 554 CE1 PHE A 36 1.663 -22.857 -3.956 1.00 0.00 C ATOM 555 CE2 PHE A 36 1.382 -20.747 -5.038 1.00 0.00 C ATOM 556 CZ PHE A 36 2.193 -21.800 -4.664 1.00 0.00 C ATOM 0 H PHE A 36 -2.125 -24.281 -3.331 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.528 -22.131 -1.545 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.518 -22.348 -4.406 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.330 -20.795 -3.616 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.087 -23.696 -3.069 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.587 -19.929 -4.998 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.296 -23.681 -3.661 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.795 -19.917 -5.592 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.241 -21.795 -4.926 1.00 0.00 H new ATOM 566 N SER A 37 -4.618 -22.951 -1.990 1.00 0.00 N ATOM 567 CA SER A 37 -5.988 -22.688 -1.569 1.00 0.00 C ATOM 568 C SER A 37 -6.066 -22.446 -0.067 1.00 0.00 C ATOM 569 O SER A 37 -6.973 -21.768 0.416 1.00 0.00 O ATOM 570 CB SER A 37 -6.884 -23.850 -1.950 1.00 0.00 C ATOM 571 OG SER A 37 -6.612 -24.974 -1.159 1.00 0.00 O ATOM 0 H SER A 37 -4.480 -23.861 -2.430 1.00 0.00 H new ATOM 0 HA SER A 37 -6.329 -21.787 -2.079 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.929 -23.562 -1.832 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.738 -24.097 -3.002 1.00 0.00 H new ATOM 0 HG SER A 37 -5.905 -25.507 -1.580 1.00 0.00 H new ATOM 577 N GLU A 38 -5.111 -23.006 0.668 1.00 0.00 N ATOM 578 CA GLU A 38 -5.112 -22.917 2.123 1.00 0.00 C ATOM 579 C GLU A 38 -4.872 -21.487 2.588 1.00 0.00 C ATOM 580 O GLU A 38 -5.271 -21.106 3.689 1.00 0.00 O ATOM 581 CB GLU A 38 -4.047 -23.843 2.715 1.00 0.00 C ATOM 582 CG GLU A 38 -4.345 -25.327 2.557 1.00 0.00 C ATOM 583 CD GLU A 38 -3.333 -26.203 3.242 1.00 0.00 C ATOM 584 OE1 GLU A 38 -2.337 -25.688 3.692 1.00 0.00 O ATOM 585 OE2 GLU A 38 -3.557 -27.388 3.317 1.00 0.00 O ATOM 0 H GLU A 38 -4.325 -23.527 0.279 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.095 -23.231 2.475 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.090 -23.625 2.242 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -3.937 -23.618 3.776 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.335 -25.539 2.962 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.375 -25.576 1.496 1.00 0.00 H new ATOM 592 N VAL A 39 -4.217 -20.698 1.743 1.00 0.00 N ATOM 593 CA VAL A 39 -3.850 -19.332 2.098 1.00 0.00 C ATOM 594 C VAL A 39 -4.587 -18.321 1.230 1.00 0.00 C ATOM 595 O VAL A 39 -4.148 -17.181 1.079 1.00 0.00 O ATOM 596 CB VAL A 39 -2.331 -19.129 1.941 1.00 0.00 C ATOM 597 CG1 VAL A 39 -1.572 -20.010 2.922 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.913 -19.430 0.510 1.00 0.00 C ATOM 0 H VAL A 39 -3.929 -20.981 0.806 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.134 -19.172 3.138 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.088 -18.090 2.163 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.500 -19.854 2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.860 -19.752 3.941 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.811 -21.056 2.731 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.838 -19.284 0.407 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.164 -20.462 0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.437 -18.759 -0.171 1.00 0.00 H new ATOM 608 N GLY A 40 -5.710 -18.744 0.660 1.00 0.00 N ATOM 609 CA GLY A 40 -6.608 -17.831 -0.037 1.00 0.00 C ATOM 610 C GLY A 40 -6.880 -18.303 -1.459 1.00 0.00 C ATOM 611 O GLY A 40 -6.087 -19.045 -2.039 1.00 0.00 O ATOM 0 H GLY A 40 -6.020 -19.716 0.667 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.548 -17.754 0.509 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.170 -16.833 -0.060 1.00 0.00 H new ATOM 615 N PRO A 41 -8.006 -17.869 -2.016 1.00 0.00 N ATOM 616 CA PRO A 41 -8.384 -18.246 -3.373 1.00 0.00 C ATOM 617 C PRO A 41 -7.346 -17.775 -4.384 1.00 0.00 C ATOM 618 O PRO A 41 -6.750 -16.709 -4.226 1.00 0.00 O ATOM 619 CB PRO A 41 -9.725 -17.532 -3.567 1.00 0.00 C ATOM 620 CG PRO A 41 -10.249 -17.356 -2.183 1.00 0.00 C ATOM 621 CD PRO A 41 -9.027 -17.059 -1.355 1.00 0.00 C ATOM 0 HA PRO A 41 -8.452 -19.324 -3.519 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.597 -16.573 -4.069 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.406 -18.123 -4.179 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.971 -16.541 -2.132 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.757 -18.255 -1.833 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.776 -15.998 -1.365 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.162 -17.345 -0.312 1.00 0.00 H new ATOM 629 N VAL A 42 -7.134 -18.576 -5.423 1.00 0.00 N ATOM 630 CA VAL A 42 -6.190 -18.228 -6.478 1.00 0.00 C ATOM 631 C VAL A 42 -6.902 -18.029 -7.810 1.00 0.00 C ATOM 632 O VAL A 42 -7.790 -18.801 -8.172 1.00 0.00 O ATOM 633 CB VAL A 42 -5.126 -19.331 -6.628 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.182 -19.008 -7.777 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.355 -19.487 -5.326 1.00 0.00 C ATOM 0 H VAL A 42 -7.604 -19.471 -5.557 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.708 -17.292 -6.196 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.624 -20.274 -6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.437 -19.798 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.750 -18.935 -8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.683 -18.059 -7.582 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.604 -20.269 -5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.864 -18.546 -5.079 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.043 -19.758 -4.526 1.00 0.00 H new ATOM 645 N VAL A 43 -6.507 -16.989 -8.537 1.00 0.00 N ATOM 646 CA VAL A 43 -7.107 -16.688 -9.832 1.00 0.00 C ATOM 647 C VAL A 43 -6.620 -17.655 -10.903 1.00 0.00 C ATOM 648 O VAL A 43 -7.421 -18.281 -11.597 1.00 0.00 O ATOM 649 CB VAL A 43 -6.767 -15.246 -10.254 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.213 -14.992 -11.687 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.424 -14.259 -9.302 1.00 0.00 C ATOM 0 H VAL A 43 -5.774 -16.340 -8.251 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.187 -16.796 -9.731 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.687 -15.109 -10.207 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -6.965 -13.969 -11.969 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.703 -15.686 -12.355 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.290 -15.139 -11.764 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.179 -13.242 -9.607 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.505 -14.395 -9.326 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.059 -14.432 -8.290 1.00 0.00 H new ATOM 661 N SER A 44 -5.303 -17.775 -11.031 1.00 0.00 N ATOM 662 CA SER A 44 -4.707 -18.624 -12.055 1.00 0.00 C ATOM 663 C SER A 44 -3.219 -18.829 -11.804 1.00 0.00 C ATOM 664 O SER A 44 -2.563 -17.990 -11.187 1.00 0.00 O ATOM 665 CB SER A 44 -4.918 -18.014 -13.427 1.00 0.00 C ATOM 666 OG SER A 44 -4.439 -18.864 -14.434 1.00 0.00 O ATOM 0 H SER A 44 -4.627 -17.294 -10.437 1.00 0.00 H new ATOM 0 HA SER A 44 -5.198 -19.596 -12.012 1.00 0.00 H new ATOM 0 HB2 SER A 44 -5.979 -17.821 -13.584 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.407 -17.053 -13.484 1.00 0.00 H new ATOM 0 HG SER A 44 -5.075 -18.879 -15.179 1.00 0.00 H new ATOM 672 N PHE A 45 -2.692 -19.950 -12.284 1.00 0.00 N ATOM 673 CA PHE A 45 -1.275 -20.257 -12.131 1.00 0.00 C ATOM 674 C PHE A 45 -0.519 -20.032 -13.435 1.00 0.00 C ATOM 675 O PHE A 45 -1.093 -20.121 -14.520 1.00 0.00 O ATOM 676 CB PHE A 45 -1.088 -21.704 -11.671 1.00 0.00 C ATOM 677 CG PHE A 45 -1.404 -21.923 -10.218 1.00 0.00 C ATOM 678 CD1 PHE A 45 -2.707 -22.153 -9.804 1.00 0.00 C ATOM 679 CD2 PHE A 45 -0.399 -21.899 -9.263 1.00 0.00 C ATOM 680 CE1 PHE A 45 -2.999 -22.355 -8.469 1.00 0.00 C ATOM 681 CE2 PHE A 45 -0.687 -22.101 -7.928 1.00 0.00 C ATOM 682 CZ PHE A 45 -1.989 -22.329 -7.530 1.00 0.00 C ATOM 0 H PHE A 45 -3.226 -20.662 -12.783 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.870 -19.584 -11.375 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.724 -22.352 -12.274 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -0.057 -22.005 -11.859 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -3.503 -22.174 -10.534 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.622 -21.720 -9.567 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -4.018 -22.533 -8.160 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.106 -22.081 -7.195 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.216 -22.487 -6.486 1.00 0.00 H new ATOM 692 N ARG A 46 0.772 -19.741 -13.321 1.00 0.00 N ATOM 693 CA ARG A 46 1.639 -19.634 -14.488 1.00 0.00 C ATOM 694 C ARG A 46 2.939 -20.400 -14.281 1.00 0.00 C ATOM 695 O ARG A 46 4.014 -19.806 -14.189 1.00 0.00 O ATOM 696 CB ARG A 46 1.956 -18.176 -14.789 1.00 0.00 C ATOM 697 CG ARG A 46 0.761 -17.337 -15.212 1.00 0.00 C ATOM 698 CD ARG A 46 0.262 -17.729 -16.555 1.00 0.00 C ATOM 699 NE ARG A 46 -0.841 -16.887 -16.991 1.00 0.00 N ATOM 700 CZ ARG A 46 -2.136 -17.108 -16.695 1.00 0.00 C ATOM 701 NH1 ARG A 46 -2.475 -18.146 -15.962 1.00 0.00 N ATOM 702 NH2 ARG A 46 -3.066 -16.282 -17.140 1.00 0.00 N ATOM 0 H ARG A 46 1.242 -19.575 -12.431 1.00 0.00 H new ATOM 0 HA ARG A 46 1.105 -20.070 -15.332 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.403 -17.726 -13.903 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.707 -18.138 -15.579 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.039 -17.448 -14.480 1.00 0.00 H new ATOM 0 HG3 ARG A 46 1.041 -16.284 -15.221 1.00 0.00 H new ATOM 0 HD2 ARG A 46 1.076 -17.665 -17.278 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.062 -18.769 -16.532 1.00 0.00 H new ATOM 0 HE ARG A 46 -0.618 -16.071 -17.561 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -1.757 -18.784 -15.618 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.456 -18.313 -15.738 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -2.803 -15.477 -17.708 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -4.047 -16.450 -16.916 1.00 0.00 H new ATOM 716 N LEU A 47 2.836 -21.723 -14.207 1.00 0.00 N ATOM 717 CA LEU A 47 4.003 -22.573 -14.010 1.00 0.00 C ATOM 718 C LEU A 47 4.871 -22.617 -15.261 1.00 0.00 C ATOM 719 O LEU A 47 4.398 -22.962 -16.344 1.00 0.00 O ATOM 720 CB LEU A 47 3.566 -23.994 -13.633 1.00 0.00 C ATOM 721 CG LEU A 47 4.701 -24.999 -13.400 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.536 -24.556 -12.206 1.00 0.00 C ATOM 723 CD2 LEU A 47 4.115 -26.385 -13.173 1.00 0.00 C ATOM 0 H LEU A 47 1.954 -22.230 -14.281 1.00 0.00 H new ATOM 0 HA LEU A 47 4.593 -22.148 -13.198 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.961 -23.940 -12.728 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.922 -24.378 -14.424 1.00 0.00 H new ATOM 0 HG LEU A 47 5.348 -25.039 -14.276 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.342 -25.270 -12.041 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.959 -23.571 -12.403 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.905 -24.509 -11.318 1.00 0.00 H new ATOM 0 HD21 LEU A 47 4.922 -27.099 -13.008 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.463 -26.366 -12.300 1.00 0.00 H new ATOM 0 HD23 LEU A 47 3.540 -26.685 -14.049 1.00 0.00 H new ATOM 735 N VAL A 48 6.143 -22.265 -15.106 1.00 0.00 N ATOM 736 CA VAL A 48 7.073 -22.242 -16.228 1.00 0.00 C ATOM 737 C VAL A 48 7.723 -23.604 -16.433 1.00 0.00 C ATOM 738 O VAL A 48 8.206 -24.222 -15.484 1.00 0.00 O ATOM 739 CB VAL A 48 8.168 -21.184 -15.991 1.00 0.00 C ATOM 740 CG1 VAL A 48 9.189 -21.213 -17.120 1.00 0.00 C ATOM 741 CG2 VAL A 48 7.538 -19.805 -15.868 1.00 0.00 C ATOM 0 H VAL A 48 6.553 -21.992 -14.213 1.00 0.00 H new ATOM 0 HA VAL A 48 6.506 -21.988 -17.124 1.00 0.00 H new ATOM 0 HB VAL A 48 8.687 -21.414 -15.060 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.955 -20.460 -16.937 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.653 -22.198 -17.166 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.691 -21.002 -18.066 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.318 -19.062 -15.701 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.001 -19.567 -16.786 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.843 -19.796 -15.029 1.00 0.00 H new ATOM 878 N LYS A 57 10.415 -26.081 -14.994 1.00 0.00 N ATOM 879 CA LYS A 57 11.773 -25.601 -14.763 1.00 0.00 C ATOM 880 C LYS A 57 12.046 -25.414 -13.276 1.00 0.00 C ATOM 881 O LYS A 57 13.174 -25.132 -12.873 1.00 0.00 O ATOM 882 CB LYS A 57 12.012 -24.289 -15.512 1.00 0.00 C ATOM 883 CG LYS A 57 11.999 -24.419 -17.029 1.00 0.00 C ATOM 884 CD LYS A 57 12.404 -23.114 -17.698 1.00 0.00 C ATOM 885 CE LYS A 57 12.351 -23.230 -19.215 1.00 0.00 C ATOM 886 NZ LYS A 57 12.741 -21.959 -19.884 1.00 0.00 N ATOM 0 HA LYS A 57 12.462 -26.355 -15.143 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.248 -23.571 -15.215 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.973 -23.878 -15.203 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.680 -25.213 -17.334 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.002 -24.708 -17.363 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.741 -22.313 -17.369 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.412 -22.841 -17.387 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.015 -24.030 -19.541 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.343 -23.507 -19.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.692 -22.080 -20.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.092 -21.200 -19.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.712 -21.707 -19.611 1.00 0.00 H new ATOM 900 N GLY A 58 11.006 -25.571 -12.465 1.00 0.00 N ATOM 901 CA GLY A 58 11.156 -25.553 -11.015 1.00 0.00 C ATOM 902 C GLY A 58 10.695 -24.224 -10.430 1.00 0.00 C ATOM 903 O GLY A 58 10.885 -23.958 -9.243 1.00 0.00 O ATOM 0 H GLY A 58 10.049 -25.712 -12.788 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.578 -26.366 -10.577 1.00 0.00 H new ATOM 0 HA3 GLY A 58 12.200 -25.726 -10.753 1.00 0.00 H new ATOM 907 N TYR A 59 10.088 -23.392 -11.270 1.00 0.00 N ATOM 908 CA TYR A 59 9.610 -22.084 -10.841 1.00 0.00 C ATOM 909 C TYR A 59 8.440 -21.616 -11.698 1.00 0.00 C ATOM 910 O TYR A 59 8.183 -22.168 -12.767 1.00 0.00 O ATOM 911 CB TYR A 59 10.744 -21.057 -10.886 1.00 0.00 C ATOM 912 CG TYR A 59 11.281 -20.802 -12.277 1.00 0.00 C ATOM 913 CD1 TYR A 59 10.684 -19.847 -13.087 1.00 0.00 C ATOM 914 CD2 TYR A 59 12.370 -21.524 -12.744 1.00 0.00 C ATOM 915 CE1 TYR A 59 11.174 -19.614 -14.357 1.00 0.00 C ATOM 916 CE2 TYR A 59 12.860 -21.291 -14.014 1.00 0.00 C ATOM 917 CZ TYR A 59 12.266 -20.340 -14.819 1.00 0.00 C ATOM 918 OH TYR A 59 12.754 -20.108 -16.085 1.00 0.00 O ATOM 0 H TYR A 59 9.916 -23.601 -12.253 1.00 0.00 H new ATOM 0 HA TYR A 59 9.261 -22.177 -9.813 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.387 -20.117 -10.466 1.00 0.00 H new ATOM 0 HB3 TYR A 59 11.559 -21.401 -10.249 1.00 0.00 H new ATOM 0 HD1 TYR A 59 9.836 -19.286 -12.724 1.00 0.00 H new ATOM 0 HD2 TYR A 59 12.835 -22.268 -12.114 1.00 0.00 H new ATOM 0 HE1 TYR A 59 10.711 -18.871 -14.989 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.708 -21.853 -14.377 1.00 0.00 H new ATOM 0 HH TYR A 59 13.519 -20.697 -16.254 1.00 0.00 H new ATOM 928 N GLY A 60 7.735 -20.596 -11.221 1.00 0.00 N ATOM 929 CA GLY A 60 6.639 -20.003 -11.978 1.00 0.00 C ATOM 930 C GLY A 60 5.983 -18.869 -11.201 1.00 0.00 C ATOM 931 O GLY A 60 6.482 -18.450 -10.156 1.00 0.00 O ATOM 0 H GLY A 60 7.903 -20.163 -10.313 1.00 0.00 H new ATOM 0 HA2 GLY A 60 7.013 -19.626 -12.930 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.897 -20.767 -12.207 1.00 0.00 H new ATOM 935 N PHE A 61 4.864 -18.374 -11.717 1.00 0.00 N ATOM 936 CA PHE A 61 4.122 -17.306 -11.058 1.00 0.00 C ATOM 937 C PHE A 61 2.722 -17.765 -10.671 1.00 0.00 C ATOM 938 O PHE A 61 2.231 -18.777 -11.168 1.00 0.00 O ATOM 939 CB PHE A 61 4.029 -16.080 -11.967 1.00 0.00 C ATOM 940 CG PHE A 61 5.336 -15.362 -12.153 1.00 0.00 C ATOM 941 CD1 PHE A 61 6.234 -15.769 -13.129 1.00 0.00 C ATOM 942 CD2 PHE A 61 5.671 -14.281 -11.353 1.00 0.00 C ATOM 943 CE1 PHE A 61 7.437 -15.110 -13.301 1.00 0.00 C ATOM 944 CE2 PHE A 61 6.871 -13.620 -11.524 1.00 0.00 C ATOM 945 CZ PHE A 61 7.755 -14.036 -12.499 1.00 0.00 C ATOM 0 H PHE A 61 4.450 -18.696 -12.592 1.00 0.00 H new ATOM 0 HA PHE A 61 4.662 -17.040 -10.149 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.654 -16.390 -12.942 1.00 0.00 H new ATOM 0 HB3 PHE A 61 3.300 -15.385 -11.551 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.991 -16.610 -13.761 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.985 -13.952 -10.587 1.00 0.00 H new ATOM 0 HE1 PHE A 61 8.128 -15.437 -14.064 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.118 -12.778 -10.895 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.694 -13.520 -12.633 1.00 0.00 H new ATOM 955 N CYS A 62 2.084 -17.013 -9.780 1.00 0.00 N ATOM 956 CA CYS A 62 0.728 -17.325 -9.345 1.00 0.00 C ATOM 957 C CYS A 62 -0.022 -16.066 -8.931 1.00 0.00 C ATOM 958 O CYS A 62 0.458 -15.290 -8.105 1.00 0.00 O ATOM 959 CB CYS A 62 0.750 -18.307 -8.174 1.00 0.00 C ATOM 960 SG CYS A 62 -0.888 -18.755 -7.553 1.00 0.00 S ATOM 0 H CYS A 62 2.485 -16.182 -9.345 1.00 0.00 H new ATOM 0 HA CYS A 62 0.212 -17.780 -10.190 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.269 -19.214 -8.484 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.329 -17.871 -7.359 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.967 -20.047 -7.429 1.00 0.00 H new ATOM 966 N GLU A 63 -1.201 -15.867 -9.511 1.00 0.00 N ATOM 967 CA GLU A 63 -2.003 -14.682 -9.230 1.00 0.00 C ATOM 968 C GLU A 63 -3.151 -15.005 -8.283 1.00 0.00 C ATOM 969 O GLU A 63 -4.019 -15.819 -8.599 1.00 0.00 O ATOM 970 CB GLU A 63 -2.552 -14.090 -10.530 1.00 0.00 C ATOM 971 CG GLU A 63 -3.351 -12.807 -10.349 1.00 0.00 C ATOM 972 CD GLU A 63 -3.715 -12.155 -11.653 1.00 0.00 C ATOM 973 OE1 GLU A 63 -3.357 -12.683 -12.679 1.00 0.00 O ATOM 974 OE2 GLU A 63 -4.351 -11.128 -11.624 1.00 0.00 O ATOM 0 H GLU A 63 -1.623 -16.512 -10.179 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.357 -13.949 -8.747 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.719 -13.893 -11.205 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.186 -14.833 -11.014 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.262 -13.028 -9.792 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.772 -12.106 -9.748 1.00 0.00 H new ATOM 981 N TYR A 64 -3.150 -14.363 -7.120 1.00 0.00 N ATOM 982 CA TYR A 64 -4.245 -14.501 -6.167 1.00 0.00 C ATOM 983 C TYR A 64 -5.361 -13.507 -6.463 1.00 0.00 C ATOM 984 O TYR A 64 -5.203 -12.611 -7.292 1.00 0.00 O ATOM 985 CB TYR A 64 -3.736 -14.318 -4.736 1.00 0.00 C ATOM 986 CG TYR A 64 -3.003 -15.524 -4.190 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.707 -15.793 -4.603 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.628 -16.360 -3.276 1.00 0.00 C ATOM 989 CE1 TYR A 64 -1.038 -16.894 -4.104 1.00 0.00 C ATOM 990 CE2 TYR A 64 -2.959 -17.460 -2.777 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.669 -17.728 -3.189 1.00 0.00 C ATOM 992 OH TYR A 64 -1.002 -18.825 -2.692 1.00 0.00 O ATOM 0 H TYR A 64 -2.402 -13.741 -6.814 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.653 -15.507 -6.269 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.071 -13.455 -4.704 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.581 -14.093 -4.086 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.221 -15.142 -5.314 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.638 -16.150 -2.955 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.028 -17.106 -4.424 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.445 -18.110 -2.065 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.368 -19.154 -3.363 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.488 -13.669 -5.778 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.593 -12.725 -5.887 1.00 0.00 C ATOM 1004 C GLN A 65 -7.317 -11.459 -5.085 1.00 0.00 C ATOM 1005 O GLN A 65 -7.551 -10.348 -5.560 1.00 0.00 O ATOM 1006 CB GLN A 65 -8.898 -13.369 -5.412 1.00 0.00 C ATOM 1007 CG GLN A 65 -9.425 -14.458 -6.331 1.00 0.00 C ATOM 1008 CD GLN A 65 -10.769 -14.997 -5.879 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -11.205 -14.750 -4.752 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -11.435 -15.737 -6.759 1.00 0.00 N ATOM 0 H GLN A 65 -6.660 -14.447 -5.141 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.693 -12.451 -6.937 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.742 -13.791 -4.419 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -9.658 -12.594 -5.313 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.517 -14.063 -7.343 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -8.704 -15.275 -6.372 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.036 -15.916 -7.681 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.345 -16.126 -6.513 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.817 -11.634 -3.866 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.535 -10.508 -2.985 1.00 0.00 C ATOM 1021 C ASP A 66 -5.040 -10.375 -2.722 1.00 0.00 C ATOM 1022 O ASP A 66 -4.308 -11.364 -2.735 1.00 0.00 O ATOM 1023 CB ASP A 66 -7.281 -10.665 -1.658 1.00 0.00 C ATOM 1024 CG ASP A 66 -8.793 -10.595 -1.816 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -9.244 -10.017 -2.776 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -9.484 -11.119 -0.974 1.00 0.00 O ATOM 0 H ASP A 66 -6.599 -12.547 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.880 -9.603 -3.485 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.012 -11.620 -1.207 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.956 -9.884 -0.970 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.594 -9.146 -2.483 1.00 0.00 N ATOM 1032 CA GLN A 67 -3.195 -8.888 -2.162 1.00 0.00 C ATOM 1033 C GLN A 67 -2.834 -9.443 -0.790 1.00 0.00 C ATOM 1034 O GLN A 67 -1.685 -9.808 -0.540 1.00 0.00 O ATOM 1035 CB GLN A 67 -2.902 -7.387 -2.213 1.00 0.00 C ATOM 1036 CG GLN A 67 -2.997 -6.781 -3.602 1.00 0.00 C ATOM 1037 CD GLN A 67 -4.430 -6.506 -4.018 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -5.306 -6.297 -3.174 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -4.677 -6.506 -5.323 1.00 0.00 N ATOM 0 H GLN A 67 -5.182 -8.313 -2.506 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.583 -9.395 -2.908 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.600 -6.869 -1.555 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.901 -7.210 -1.819 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.429 -5.851 -3.629 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.536 -7.457 -4.322 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.922 -6.684 -5.985 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.622 -6.328 -5.663 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.821 -9.503 0.097 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.621 -10.058 1.430 1.00 0.00 C ATOM 1050 C GLU A 68 -3.369 -11.559 1.370 1.00 0.00 C ATOM 1051 O GLU A 68 -2.563 -12.094 2.131 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.835 -9.770 2.316 1.00 0.00 C ATOM 1053 CG GLU A 68 -4.739 -10.346 3.722 1.00 0.00 C ATOM 1054 CD GLU A 68 -3.575 -9.798 4.500 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -3.064 -8.771 4.124 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -3.197 -10.408 5.472 1.00 0.00 O ATOM 0 H GLU A 68 -4.769 -9.173 -0.084 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.742 -9.579 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -4.970 -8.691 2.387 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.726 -10.171 1.832 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.662 -10.133 4.261 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.650 -11.431 3.660 1.00 0.00 H new ATOM 1063 N THR A 69 -4.063 -12.234 0.460 1.00 0.00 N ATOM 1064 CA THR A 69 -3.893 -13.671 0.277 1.00 0.00 C ATOM 1065 C THR A 69 -2.582 -13.984 -0.432 1.00 0.00 C ATOM 1066 O THR A 69 -1.986 -15.039 -0.217 1.00 0.00 O ATOM 1067 CB THR A 69 -5.068 -14.271 -0.518 1.00 0.00 C ATOM 1068 OG1 THR A 69 -5.159 -13.632 -1.797 1.00 0.00 O ATOM 1069 CG2 THR A 69 -6.375 -14.078 0.235 1.00 0.00 C ATOM 0 H THR A 69 -4.749 -11.809 -0.163 1.00 0.00 H new ATOM 0 HA THR A 69 -3.872 -14.123 1.269 1.00 0.00 H new ATOM 0 HB THR A 69 -4.890 -15.338 -0.649 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.564 -12.854 -1.817 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.194 -14.508 -0.342 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.314 -14.574 1.204 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.556 -13.013 0.383 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.138 -13.061 -1.279 1.00 0.00 N ATOM 1078 CA ALA A 70 -0.820 -13.158 -1.895 1.00 0.00 C ATOM 1079 C ALA A 70 0.285 -13.030 -0.855 1.00 0.00 C ATOM 1080 O ALA A 70 1.249 -13.797 -0.862 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.659 -12.095 -2.972 1.00 0.00 C ATOM 0 H ALA A 70 -2.672 -12.237 -1.554 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.736 -14.142 -2.356 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.330 -12.180 -3.422 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.421 -12.236 -3.739 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.771 -11.106 -2.527 1.00 0.00 H new ATOM 1087 N LEU A 71 0.141 -12.057 0.038 1.00 0.00 N ATOM 1088 CA LEU A 71 1.094 -11.867 1.125 1.00 0.00 C ATOM 1089 C LEU A 71 1.040 -13.024 2.114 1.00 0.00 C ATOM 1090 O LEU A 71 2.065 -13.442 2.652 1.00 0.00 O ATOM 1091 CB LEU A 71 0.809 -10.548 1.855 1.00 0.00 C ATOM 1092 CG LEU A 71 1.100 -9.270 1.058 1.00 0.00 C ATOM 1093 CD1 LEU A 71 0.589 -8.062 1.831 1.00 0.00 C ATOM 1094 CD2 LEU A 71 2.596 -9.162 0.802 1.00 0.00 C ATOM 0 H LEU A 71 -0.628 -11.387 0.030 1.00 0.00 H new ATOM 0 HA LEU A 71 2.093 -11.832 0.691 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.240 -10.538 2.152 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.400 -10.526 2.771 1.00 0.00 H new ATOM 0 HG LEU A 71 0.588 -9.305 0.097 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.796 -7.154 1.265 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.486 -8.157 1.985 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.091 -8.009 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.804 -8.254 0.236 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.126 -9.125 1.754 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.931 -10.029 0.233 1.00 0.00 H new ATOM 1106 N SER A 72 -0.162 -13.539 2.349 1.00 0.00 N ATOM 1107 CA SER A 72 -0.343 -14.697 3.216 1.00 0.00 C ATOM 1108 C SER A 72 0.427 -15.903 2.692 1.00 0.00 C ATOM 1109 O SER A 72 1.068 -16.623 3.457 1.00 0.00 O ATOM 1110 CB SER A 72 -1.816 -15.038 3.331 1.00 0.00 C ATOM 1111 OG SER A 72 -2.517 -14.018 3.989 1.00 0.00 O ATOM 0 H SER A 72 -1.026 -13.172 1.951 1.00 0.00 H new ATOM 0 HA SER A 72 0.048 -14.443 4.201 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.236 -15.191 2.337 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.935 -15.975 3.875 1.00 0.00 H new ATOM 0 HG SER A 72 -2.598 -13.242 3.396 1.00 0.00 H new ATOM 1117 N ALA A 73 0.360 -16.118 1.382 1.00 0.00 N ATOM 1118 CA ALA A 73 1.158 -17.151 0.733 1.00 0.00 C ATOM 1119 C ALA A 73 2.648 -16.898 0.927 1.00 0.00 C ATOM 1120 O ALA A 73 3.405 -17.813 1.253 1.00 0.00 O ATOM 1121 CB ALA A 73 0.823 -17.226 -0.749 1.00 0.00 C ATOM 0 H ALA A 73 -0.240 -15.589 0.749 1.00 0.00 H new ATOM 0 HA ALA A 73 0.915 -18.106 1.198 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.427 -18.002 -1.220 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.234 -17.464 -0.872 1.00 0.00 H new ATOM 0 HB3 ALA A 73 1.035 -16.266 -1.219 1.00 0.00 H new ATOM 1127 N MET A 74 3.063 -15.653 0.725 1.00 0.00 N ATOM 1128 CA MET A 74 4.460 -15.273 0.900 1.00 0.00 C ATOM 1129 C MET A 74 4.929 -15.539 2.325 1.00 0.00 C ATOM 1130 O MET A 74 6.074 -15.932 2.549 1.00 0.00 O ATOM 1131 CB MET A 74 4.655 -13.801 0.541 1.00 0.00 C ATOM 1132 CG MET A 74 6.078 -13.291 0.724 1.00 0.00 C ATOM 1133 SD MET A 74 6.421 -12.781 2.420 1.00 0.00 S ATOM 1134 CE MET A 74 5.420 -11.301 2.537 1.00 0.00 C ATOM 0 H MET A 74 2.451 -14.888 0.439 1.00 0.00 H new ATOM 0 HA MET A 74 5.064 -15.884 0.229 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.359 -13.651 -0.497 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.985 -13.198 1.154 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.780 -14.073 0.435 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.247 -12.448 0.054 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.672 -10.763 3.451 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.613 -10.662 1.675 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.365 -11.576 2.557 1.00 0.00 H new ATOM 1144 N ARG A 75 4.037 -15.324 3.286 1.00 0.00 N ATOM 1145 CA ARG A 75 4.388 -15.434 4.696 1.00 0.00 C ATOM 1146 C ARG A 75 4.287 -16.876 5.178 1.00 0.00 C ATOM 1147 O ARG A 75 5.051 -17.308 6.041 1.00 0.00 O ATOM 1148 CB ARG A 75 3.483 -14.554 5.545 1.00 0.00 C ATOM 1149 CG ARG A 75 3.697 -13.059 5.369 1.00 0.00 C ATOM 1150 CD ARG A 75 2.708 -12.268 6.144 1.00 0.00 C ATOM 1151 NE ARG A 75 1.359 -12.426 5.624 1.00 0.00 N ATOM 1152 CZ ARG A 75 0.299 -11.688 6.008 1.00 0.00 C ATOM 1153 NH1 ARG A 75 0.447 -10.748 6.915 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -0.889 -11.910 5.473 1.00 0.00 N ATOM 0 H ARG A 75 3.064 -15.072 3.113 1.00 0.00 H new ATOM 0 HA ARG A 75 5.420 -15.100 4.803 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.445 -14.788 5.307 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.635 -14.807 6.594 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.705 -12.795 5.689 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.621 -12.802 4.312 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.733 -12.579 7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.986 -11.214 6.118 1.00 0.00 H new ATOM 0 HE ARG A 75 1.204 -13.146 4.919 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.364 -10.577 7.328 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.355 -10.189 7.206 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.003 -12.640 4.770 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.692 -11.352 5.764 1.00 0.00 H new ATOM 1168 N ASN A 76 3.338 -17.617 4.616 1.00 0.00 N ATOM 1169 CA ASN A 76 2.999 -18.941 5.122 1.00 0.00 C ATOM 1170 C ASN A 76 3.701 -20.033 4.325 1.00 0.00 C ATOM 1171 O ASN A 76 4.353 -20.908 4.894 1.00 0.00 O ATOM 1172 CB ASN A 76 1.496 -19.151 5.105 1.00 0.00 C ATOM 1173 CG ASN A 76 0.786 -18.327 6.144 1.00 0.00 C ATOM 1174 OD1 ASN A 76 1.381 -17.929 7.152 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.476 -18.063 5.917 1.00 0.00 N ATOM 0 H ASN A 76 2.789 -17.322 3.808 1.00 0.00 H new ATOM 0 HA ASN A 76 3.346 -19.003 6.153 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.108 -18.898 4.118 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.278 -20.206 5.272 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.009 -17.508 6.586 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.926 -18.413 5.071 1.00 0.00 H new ATOM 1182 N LEU A 77 3.565 -19.974 3.005 1.00 0.00 N ATOM 1183 CA LEU A 77 4.019 -21.056 2.139 1.00 0.00 C ATOM 1184 C LEU A 77 5.529 -21.010 1.946 1.00 0.00 C ATOM 1185 O LEU A 77 6.156 -22.023 1.633 1.00 0.00 O ATOM 1186 CB LEU A 77 3.320 -20.974 0.776 1.00 0.00 C ATOM 1187 CG LEU A 77 1.802 -21.194 0.792 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.250 -21.032 -0.617 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.496 -22.578 1.344 1.00 0.00 C ATOM 0 H LEU A 77 3.144 -19.188 2.511 1.00 0.00 H new ATOM 0 HA LEU A 77 3.762 -22.000 2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.522 -19.994 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.769 -21.714 0.113 1.00 0.00 H new ATOM 0 HG LEU A 77 1.325 -20.454 1.435 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.171 -21.188 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.467 -20.027 -0.980 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.716 -21.764 -1.277 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.417 -22.735 1.356 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.966 -23.333 0.714 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.885 -22.659 2.359 1.00 0.00 H new ATOM 1201 N ASN A 78 6.109 -19.830 2.135 1.00 0.00 N ATOM 1202 CA ASN A 78 7.541 -19.639 1.938 1.00 0.00 C ATOM 1203 C ASN A 78 8.346 -20.372 3.004 1.00 0.00 C ATOM 1204 O ASN A 78 8.367 -19.968 4.166 1.00 0.00 O ATOM 1205 CB ASN A 78 7.887 -18.162 1.929 1.00 0.00 C ATOM 1206 CG ASN A 78 9.339 -17.910 1.631 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.224 -18.554 2.205 1.00 0.00 O ATOM 1208 ND2 ASN A 78 9.601 -16.984 0.744 1.00 0.00 N ATOM 0 H ASN A 78 5.608 -18.990 2.425 1.00 0.00 H new ATOM 0 HA ASN A 78 7.805 -20.062 0.969 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.274 -17.654 1.185 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.638 -17.728 2.898 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.568 -16.769 0.502 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.838 -16.477 0.295 1.00 0.00 H new ATOM 1215 N GLY A 79 9.007 -21.452 2.601 1.00 0.00 N ATOM 1216 CA GLY A 79 9.834 -22.230 3.515 1.00 0.00 C ATOM 1217 C GLY A 79 9.038 -23.363 4.150 1.00 0.00 C ATOM 1218 O GLY A 79 9.527 -24.053 5.044 1.00 0.00 O ATOM 0 H GLY A 79 8.986 -21.809 1.646 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.689 -22.640 2.977 1.00 0.00 H new ATOM 0 HA3 GLY A 79 10.230 -21.579 4.294 1.00 0.00 H new ATOM 1222 N ARG A 80 7.809 -23.550 3.681 1.00 0.00 N ATOM 1223 CA ARG A 80 6.952 -24.619 4.182 1.00 0.00 C ATOM 1224 C ARG A 80 7.286 -25.949 3.519 1.00 0.00 C ATOM 1225 O ARG A 80 7.307 -26.055 2.293 1.00 0.00 O ATOM 1226 CB ARG A 80 5.487 -24.289 3.940 1.00 0.00 C ATOM 1227 CG ARG A 80 4.503 -25.324 4.462 1.00 0.00 C ATOM 1228 CD ARG A 80 3.098 -24.861 4.332 1.00 0.00 C ATOM 1229 NE ARG A 80 2.148 -25.901 4.693 1.00 0.00 N ATOM 1230 CZ ARG A 80 0.819 -25.830 4.483 1.00 0.00 C ATOM 1231 NH1 ARG A 80 0.299 -24.764 3.915 1.00 0.00 N ATOM 1232 NH2 ARG A 80 0.038 -26.832 4.848 1.00 0.00 N ATOM 0 H ARG A 80 7.383 -22.975 2.954 1.00 0.00 H new ATOM 0 HA ARG A 80 7.131 -24.706 5.254 1.00 0.00 H new ATOM 0 HB2 ARG A 80 5.264 -23.329 4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.329 -24.167 2.868 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.631 -26.257 3.913 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.720 -25.537 5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.942 -23.990 4.969 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.914 -24.542 3.306 1.00 0.00 H new ATOM 0 HE ARG A 80 2.513 -26.744 5.136 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.902 -23.991 3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.707 -24.710 3.756 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.441 -27.659 5.289 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -0.968 -26.778 4.689 1.00 0.00 H new ATOM 1246 N GLU A 81 7.547 -26.963 4.338 1.00 0.00 N ATOM 1247 CA GLU A 81 7.937 -28.274 3.833 1.00 0.00 C ATOM 1248 C GLU A 81 6.716 -29.138 3.543 1.00 0.00 C ATOM 1249 O GLU A 81 5.792 -29.214 4.352 1.00 0.00 O ATOM 1250 CB GLU A 81 8.849 -28.983 4.837 1.00 0.00 C ATOM 1251 CG GLU A 81 9.362 -30.338 4.372 1.00 0.00 C ATOM 1252 CD GLU A 81 10.277 -30.991 5.371 1.00 0.00 C ATOM 1253 OE1 GLU A 81 10.543 -30.392 6.385 1.00 0.00 O ATOM 1254 OE2 GLU A 81 10.711 -32.091 5.119 1.00 0.00 O ATOM 0 H GLU A 81 7.495 -26.901 5.355 1.00 0.00 H new ATOM 0 HA GLU A 81 8.480 -28.123 2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 81 9.702 -28.339 5.052 1.00 0.00 H new ATOM 0 HB3 GLU A 81 8.306 -29.115 5.773 1.00 0.00 H new ATOM 0 HG2 GLU A 81 8.514 -30.995 4.179 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.892 -30.216 3.427 1.00 0.00 H new ATOM 1261 N PHE A 82 6.719 -29.788 2.385 1.00 0.00 N ATOM 1262 CA PHE A 82 5.634 -30.684 2.006 1.00 0.00 C ATOM 1263 C PHE A 82 6.141 -32.104 1.790 1.00 0.00 C ATOM 1264 O PHE A 82 6.322 -32.543 0.655 1.00 0.00 O ATOM 1265 CB PHE A 82 4.946 -30.184 0.734 1.00 0.00 C ATOM 1266 CG PHE A 82 4.347 -28.813 0.868 1.00 0.00 C ATOM 1267 CD1 PHE A 82 5.090 -27.683 0.563 1.00 0.00 C ATOM 1268 CD2 PHE A 82 3.039 -28.651 1.300 1.00 0.00 C ATOM 1269 CE1 PHE A 82 4.540 -26.421 0.686 1.00 0.00 C ATOM 1270 CE2 PHE A 82 2.486 -27.391 1.423 1.00 0.00 C ATOM 1271 CZ PHE A 82 3.238 -26.275 1.116 1.00 0.00 C ATOM 0 H PHE A 82 7.463 -29.711 1.691 1.00 0.00 H new ATOM 0 HA PHE A 82 4.914 -30.695 2.824 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.670 -30.176 -0.081 1.00 0.00 H new ATOM 0 HB3 PHE A 82 4.161 -30.888 0.456 1.00 0.00 H new ATOM 0 HD1 PHE A 82 6.110 -27.790 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 82 2.446 -29.520 1.543 1.00 0.00 H new ATOM 0 HE1 PHE A 82 5.130 -25.549 0.445 1.00 0.00 H new ATOM 0 HE2 PHE A 82 1.466 -27.279 1.759 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.807 -25.289 1.212 1.00 0.00 H new ATOM 1281 N SER A 83 6.370 -32.819 2.887 1.00 0.00 N ATOM 1282 CA SER A 83 6.905 -34.173 2.821 1.00 0.00 C ATOM 1283 C SER A 83 8.221 -34.209 2.055 1.00 0.00 C ATOM 1284 O SER A 83 8.486 -35.145 1.300 1.00 0.00 O ATOM 1285 CB SER A 83 5.901 -35.100 2.163 1.00 0.00 C ATOM 1286 OG SER A 83 4.705 -35.143 2.892 1.00 0.00 O ATOM 0 H SER A 83 6.193 -32.482 3.833 1.00 0.00 H new ATOM 0 HA SER A 83 7.094 -34.509 3.840 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.700 -34.761 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.321 -36.103 2.088 1.00 0.00 H new ATOM 0 HG SER A 83 4.073 -35.746 2.448 1.00 0.00 H new ATOM 1292 N GLY A 84 9.043 -33.185 2.253 1.00 0.00 N ATOM 1293 CA GLY A 84 10.328 -33.090 1.571 1.00 0.00 C ATOM 1294 C GLY A 84 10.279 -32.070 0.441 1.00 0.00 C ATOM 1295 O GLY A 84 11.286 -31.442 0.115 1.00 0.00 O ATOM 0 H GLY A 84 8.842 -32.407 2.882 1.00 0.00 H new ATOM 0 HA2 GLY A 84 11.102 -32.808 2.285 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.603 -34.066 1.171 1.00 0.00 H new ATOM 1299 N ARG A 85 9.101 -31.909 -0.153 1.00 0.00 N ATOM 1300 CA ARG A 85 8.937 -31.027 -1.302 1.00 0.00 C ATOM 1301 C ARG A 85 8.618 -29.604 -0.863 1.00 0.00 C ATOM 1302 O ARG A 85 7.529 -29.093 -1.124 1.00 0.00 O ATOM 1303 CB ARG A 85 7.829 -31.534 -2.212 1.00 0.00 C ATOM 1304 CG ARG A 85 8.126 -32.853 -2.909 1.00 0.00 C ATOM 1305 CD ARG A 85 6.948 -33.354 -3.662 1.00 0.00 C ATOM 1306 NE ARG A 85 7.275 -34.521 -4.465 1.00 0.00 N ATOM 1307 CZ ARG A 85 7.238 -35.792 -4.020 1.00 0.00 C ATOM 1308 NH1 ARG A 85 6.888 -36.043 -2.778 1.00 0.00 N ATOM 1309 NH2 ARG A 85 7.554 -36.786 -4.831 1.00 0.00 N ATOM 0 H ARG A 85 8.245 -32.379 0.143 1.00 0.00 H new ATOM 0 HA ARG A 85 9.880 -31.022 -1.848 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.919 -31.648 -1.623 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.626 -30.777 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.966 -32.723 -3.592 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.428 -33.595 -2.170 1.00 0.00 H new ATOM 0 HD2 ARG A 85 6.151 -33.606 -2.963 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.567 -32.563 -4.309 1.00 0.00 H new ATOM 0 HE ARG A 85 7.552 -34.366 -5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.645 -35.276 -2.152 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.860 -37.005 -2.441 1.00 0.00 H new ATOM 0 HH21 ARG A 85 7.826 -36.591 -5.795 1.00 0.00 H new ATOM 0 HH22 ARG A 85 7.526 -37.748 -4.494 1.00 0.00 H new ATOM 1323 N ALA A 86 9.574 -28.968 -0.194 1.00 0.00 N ATOM 1324 CA ALA A 86 9.378 -27.620 0.327 1.00 0.00 C ATOM 1325 C ALA A 86 9.268 -26.603 -0.801 1.00 0.00 C ATOM 1326 O ALA A 86 9.962 -26.707 -1.813 1.00 0.00 O ATOM 1327 CB ALA A 86 10.514 -27.246 1.268 1.00 0.00 C ATOM 0 H ALA A 86 10.493 -29.365 0.000 1.00 0.00 H new ATOM 0 HA ALA A 86 8.441 -27.608 0.883 1.00 0.00 H new ATOM 0 HB1 ALA A 86 10.354 -26.237 1.649 1.00 0.00 H new ATOM 0 HB2 ALA A 86 10.542 -27.948 2.101 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.461 -27.284 0.729 1.00 0.00 H new ATOM 1333 N LEU A 87 8.392 -25.621 -0.622 1.00 0.00 N ATOM 1334 CA LEU A 87 8.193 -24.580 -1.624 1.00 0.00 C ATOM 1335 C LEU A 87 8.638 -23.220 -1.101 1.00 0.00 C ATOM 1336 O LEU A 87 8.760 -23.018 0.108 1.00 0.00 O ATOM 1337 CB LEU A 87 6.717 -24.517 -2.037 1.00 0.00 C ATOM 1338 CG LEU A 87 6.132 -25.813 -2.613 1.00 0.00 C ATOM 1339 CD1 LEU A 87 4.643 -25.626 -2.875 1.00 0.00 C ATOM 1340 CD2 LEU A 87 6.870 -26.180 -3.891 1.00 0.00 C ATOM 0 H LEU A 87 7.808 -25.524 0.208 1.00 0.00 H new ATOM 0 HA LEU A 87 8.802 -24.831 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.127 -24.229 -1.167 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.599 -23.726 -2.778 1.00 0.00 H new ATOM 0 HG LEU A 87 6.256 -26.627 -1.899 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.227 -26.547 -3.284 1.00 0.00 H new ATOM 0 HD12 LEU A 87 4.137 -25.383 -1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.498 -24.814 -3.588 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.454 -27.101 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.758 -25.377 -4.619 1.00 0.00 H new ATOM 0 HD23 LEU A 87 7.928 -26.326 -3.671 1.00 0.00 H new ATOM 1352 N ARG A 88 8.880 -22.290 -2.018 1.00 0.00 N ATOM 1353 CA ARG A 88 9.169 -20.909 -1.650 1.00 0.00 C ATOM 1354 C ARG A 88 8.290 -19.936 -2.427 1.00 0.00 C ATOM 1355 O ARG A 88 8.241 -19.975 -3.656 1.00 0.00 O ATOM 1356 CB ARG A 88 10.633 -20.581 -1.908 1.00 0.00 C ATOM 1357 CG ARG A 88 11.055 -19.179 -1.501 1.00 0.00 C ATOM 1358 CD ARG A 88 12.432 -18.864 -1.962 1.00 0.00 C ATOM 1359 NE ARG A 88 12.796 -17.485 -1.682 1.00 0.00 N ATOM 1360 CZ ARG A 88 13.492 -17.082 -0.601 1.00 0.00 C ATOM 1361 NH1 ARG A 88 13.891 -17.962 0.290 1.00 0.00 N ATOM 1362 NH2 ARG A 88 13.774 -15.801 -0.436 1.00 0.00 N ATOM 0 H ARG A 88 8.882 -22.468 -3.022 1.00 0.00 H new ATOM 0 HA ARG A 88 8.956 -20.803 -0.586 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.252 -21.301 -1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 88 10.838 -20.713 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.357 -18.453 -1.918 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.004 -19.084 -0.416 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.140 -19.533 -1.473 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.507 -19.049 -3.034 1.00 0.00 H new ATOM 0 HE ARG A 88 12.504 -16.772 -2.351 1.00 0.00 H new ATOM 0 HH11 ARG A 88 13.674 -18.951 0.163 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.418 -17.656 1.108 1.00 0.00 H new ATOM 0 HH21 ARG A 88 13.465 -15.118 -1.127 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.301 -15.496 0.382 1.00 0.00 H new ATOM 1376 N VAL A 89 7.597 -19.065 -1.702 1.00 0.00 N ATOM 1377 CA VAL A 89 6.723 -18.076 -2.321 1.00 0.00 C ATOM 1378 C VAL A 89 7.150 -16.660 -1.958 1.00 0.00 C ATOM 1379 O VAL A 89 7.179 -16.292 -0.783 1.00 0.00 O ATOM 1380 CB VAL A 89 5.265 -18.300 -1.879 1.00 0.00 C ATOM 1381 CG1 VAL A 89 4.351 -17.260 -2.512 1.00 0.00 C ATOM 1382 CG2 VAL A 89 4.820 -19.706 -2.252 1.00 0.00 C ATOM 0 H VAL A 89 7.624 -19.024 -0.683 1.00 0.00 H new ATOM 0 HA VAL A 89 6.799 -18.196 -3.402 1.00 0.00 H new ATOM 0 HB VAL A 89 5.203 -18.191 -0.796 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.324 -17.433 -2.189 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.665 -16.263 -2.203 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.408 -17.338 -3.598 1.00 0.00 H new ATOM 0 HG21 VAL A 89 3.788 -19.857 -1.936 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.892 -19.836 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.461 -20.434 -1.756 1.00 0.00 H new ATOM 1392 N ASP A 90 7.479 -15.868 -2.973 1.00 0.00 N ATOM 1393 CA ASP A 90 7.816 -14.464 -2.770 1.00 0.00 C ATOM 1394 C ASP A 90 6.832 -13.551 -3.490 1.00 0.00 C ATOM 1395 O ASP A 90 6.349 -13.876 -4.575 1.00 0.00 O ATOM 1396 CB ASP A 90 9.238 -14.177 -3.260 1.00 0.00 C ATOM 1397 CG ASP A 90 10.301 -14.913 -2.455 1.00 0.00 C ATOM 1398 OD1 ASP A 90 10.149 -15.015 -1.261 1.00 0.00 O ATOM 1399 OD2 ASP A 90 11.255 -15.365 -3.042 1.00 0.00 O ATOM 0 H ASP A 90 7.519 -16.175 -3.945 1.00 0.00 H new ATOM 0 HA ASP A 90 7.757 -14.262 -1.701 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.320 -14.463 -4.309 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.426 -13.105 -3.206 1.00 0.00 H new ATOM 1404 N ASN A 91 6.537 -12.408 -2.881 1.00 0.00 N ATOM 1405 CA ASN A 91 5.669 -11.413 -3.497 1.00 0.00 C ATOM 1406 C ASN A 91 6.369 -10.709 -4.652 1.00 0.00 C ATOM 1407 O ASN A 91 7.451 -10.146 -4.484 1.00 0.00 O ATOM 1408 CB ASN A 91 5.196 -10.405 -2.466 1.00 0.00 C ATOM 1409 CG ASN A 91 4.231 -9.403 -3.037 1.00 0.00 C ATOM 1410 OD1 ASN A 91 4.615 -8.281 -3.385 1.00 0.00 O ATOM 1411 ND2 ASN A 91 2.984 -9.787 -3.139 1.00 0.00 N ATOM 0 H ASN A 91 6.887 -12.148 -1.959 1.00 0.00 H new ATOM 0 HA ASN A 91 4.799 -11.932 -3.899 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.720 -10.932 -1.640 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.058 -9.880 -2.054 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.284 -9.150 -3.519 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.713 -10.723 -2.839 1.00 0.00 H new ATOM 1418 N ALA A 92 5.747 -10.746 -5.826 1.00 0.00 N ATOM 1419 CA ALA A 92 6.335 -10.159 -7.023 1.00 0.00 C ATOM 1420 C ALA A 92 6.374 -8.639 -6.930 1.00 0.00 C ATOM 1421 O ALA A 92 5.470 -7.955 -7.409 1.00 0.00 O ATOM 1422 CB ALA A 92 5.563 -10.593 -8.261 1.00 0.00 C ATOM 0 H ALA A 92 4.834 -11.177 -5.973 1.00 0.00 H new ATOM 0 HA ALA A 92 7.361 -10.518 -7.103 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.015 -10.146 -9.147 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.594 -11.679 -8.347 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.527 -10.265 -8.177 1.00 0.00 H new ATOM 1428 N ALA A 93 7.427 -8.116 -6.311 1.00 0.00 N ATOM 1429 CA ALA A 93 7.608 -6.674 -6.192 1.00 0.00 C ATOM 1430 C ALA A 93 8.690 -6.175 -7.140 1.00 0.00 C ATOM 1431 O ALA A 93 8.766 -4.983 -7.440 1.00 0.00 O ATOM 1432 CB ALA A 93 7.948 -6.299 -4.757 1.00 0.00 C ATOM 0 H ALA A 93 8.169 -8.670 -5.883 1.00 0.00 H new ATOM 0 HA ALA A 93 6.670 -6.193 -6.469 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.080 -5.219 -4.685 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.138 -6.611 -4.098 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.870 -6.798 -4.459 1.00 0.00 H new