USER MOD reduce.3.24.130724 H: found=0, std=0, add=564, rem=0, adj=14 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 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.3 K(o=0.3,f=-1.3) USER MOD Single : A 25 TYR OH : rot -78:sc= 0.0599 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 31 GLN : amide:sc= 0.207 K(o=0.21,f=-6.4!) USER MOD Single : A 33 LYS NZ :NH3+ 155:sc= 1.23 (180deg=1.08) USER MOD Single : A 37 SER OG : rot -44:sc= 1.19 USER MOD Single : A 44 SER OG : rot -143:sc= -1.35! 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 154:sc= 0.575 USER MOD Single : A 64 TYR OH : rot -117:sc= 0.857 USER MOD Single : A 65 GLN : amide:sc= -0.0529 X(o=-0.053,f=-0.058) USER MOD Single : A 67 GLN : amide:sc= 0.878 K(o=0.88,f=-6.7!) USER MOD Single : A 69 THR OG1 : rot -69:sc= 0.108 USER MOD Single : A 72 SER OG : rot 69:sc= 1.49 USER MOD Single : A 74 MET CE :methyl -170:sc= -0.339 (180deg=-0.574) USER MOD Single : A 76 ASN : amide:sc= -0.106 K(o=-0.11,f=-1.4!) USER MOD Single : A 78 ASN : amide:sc= -0.447 K(o=-0.45,f=-4.3!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= 1.19 K(o=1.2,f=-9.3!) USER MOD ----------------------------------------------------------------- ATOM 160 N ASP A 12 -1.163 -3.125 -9.161 1.00 0.00 N ATOM 161 CA ASP A 12 -2.030 -4.150 -8.591 1.00 0.00 C ATOM 162 C ASP A 12 -1.734 -5.518 -9.191 1.00 0.00 C ATOM 163 O ASP A 12 -1.734 -6.529 -8.488 1.00 0.00 O ATOM 164 CB ASP A 12 -3.501 -3.794 -8.817 1.00 0.00 C ATOM 165 CG ASP A 12 -4.456 -4.759 -8.127 1.00 0.00 C ATOM 166 OD1 ASP A 12 -4.534 -4.727 -6.921 1.00 0.00 O ATOM 167 OD2 ASP A 12 -5.099 -5.519 -8.812 1.00 0.00 O ATOM 0 HA ASP A 12 -1.832 -4.193 -7.520 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.686 -2.784 -8.451 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -3.708 -3.788 -9.887 1.00 0.00 H new ATOM 172 N ARG A 13 -1.481 -5.545 -10.495 1.00 0.00 N ATOM 173 CA ARG A 13 -1.118 -6.779 -11.181 1.00 0.00 C ATOM 174 C ARG A 13 0.102 -7.427 -10.540 1.00 0.00 C ATOM 175 O ARG A 13 0.080 -8.608 -10.192 1.00 0.00 O ATOM 176 CB ARG A 13 -0.834 -6.511 -12.651 1.00 0.00 C ATOM 177 CG ARG A 13 -0.398 -7.729 -13.450 1.00 0.00 C ATOM 178 CD ARG A 13 -0.272 -7.420 -14.898 1.00 0.00 C ATOM 179 NE ARG A 13 0.197 -8.567 -15.658 1.00 0.00 N ATOM 180 CZ ARG A 13 1.489 -8.814 -15.951 1.00 0.00 C ATOM 181 NH1 ARG A 13 2.425 -7.987 -15.541 1.00 0.00 N ATOM 182 NH2 ARG A 13 1.815 -9.887 -16.651 1.00 0.00 N ATOM 0 H ARG A 13 -1.521 -4.724 -11.099 1.00 0.00 H new ATOM 0 HA ARG A 13 -1.963 -7.462 -11.095 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.731 -6.096 -13.110 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.057 -5.750 -12.723 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.558 -8.090 -13.070 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -1.121 -8.533 -13.311 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.238 -7.098 -15.286 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.419 -6.588 -15.033 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.501 -9.231 -15.993 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.173 -7.159 -15.001 1.00 0.00 H new ATOM 0 HH12 ARG A 13 3.403 -8.173 -15.762 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.089 -10.528 -16.970 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.793 -10.074 -16.873 1.00 0.00 H new ATOM 196 N SER A 14 1.167 -6.647 -10.386 1.00 0.00 N ATOM 197 CA SER A 14 2.406 -7.149 -9.805 1.00 0.00 C ATOM 198 C SER A 14 2.258 -7.381 -8.306 1.00 0.00 C ATOM 199 O SER A 14 2.982 -8.185 -7.718 1.00 0.00 O ATOM 200 CB SER A 14 3.537 -6.173 -10.064 1.00 0.00 C ATOM 201 OG SER A 14 3.351 -4.985 -9.345 1.00 0.00 O ATOM 0 H SER A 14 1.196 -5.664 -10.656 1.00 0.00 H new ATOM 0 HA SER A 14 2.636 -8.104 -10.278 1.00 0.00 H new ATOM 0 HB2 SER A 14 4.486 -6.628 -9.782 1.00 0.00 H new ATOM 0 HB3 SER A 14 3.594 -5.952 -11.130 1.00 0.00 H new ATOM 0 HG SER A 14 4.094 -4.373 -9.527 1.00 0.00 H new ATOM 207 N LEU A 15 1.315 -6.673 -7.694 1.00 0.00 N ATOM 208 CA LEU A 15 1.071 -6.800 -6.262 1.00 0.00 C ATOM 209 C LEU A 15 0.425 -8.138 -5.929 1.00 0.00 C ATOM 210 O LEU A 15 0.853 -8.833 -5.007 1.00 0.00 O ATOM 211 CB LEU A 15 0.173 -5.656 -5.774 1.00 0.00 C ATOM 212 CG LEU A 15 -0.187 -5.683 -4.283 1.00 0.00 C ATOM 213 CD1 LEU A 15 1.087 -5.641 -3.451 1.00 0.00 C ATOM 214 CD2 LEU A 15 -1.091 -4.502 -3.958 1.00 0.00 C ATOM 0 H LEU A 15 0.707 -6.005 -8.168 1.00 0.00 H new ATOM 0 HA LEU A 15 2.034 -6.748 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 15 0.670 -4.710 -5.992 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -0.751 -5.672 -6.352 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.722 -6.602 -4.046 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.831 -5.660 -2.392 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.706 -6.505 -3.690 1.00 0.00 H new ATOM 0 HD13 LEU A 15 1.638 -4.727 -3.675 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.347 -4.521 -2.899 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.572 -3.572 -4.190 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.002 -4.567 -4.553 1.00 0.00 H new ATOM 226 N ARG A 16 -0.607 -8.496 -6.686 1.00 0.00 N ATOM 227 CA ARG A 16 -1.340 -9.733 -6.446 1.00 0.00 C ATOM 228 C ARG A 16 -0.649 -10.919 -7.105 1.00 0.00 C ATOM 229 O ARG A 16 -0.935 -12.073 -6.786 1.00 0.00 O ATOM 230 CB ARG A 16 -2.764 -9.622 -6.973 1.00 0.00 C ATOM 231 CG ARG A 16 -3.662 -8.673 -6.196 1.00 0.00 C ATOM 232 CD ARG A 16 -5.070 -8.744 -6.662 1.00 0.00 C ATOM 233 NE ARG A 16 -5.233 -8.164 -7.985 1.00 0.00 N ATOM 234 CZ ARG A 16 -5.441 -8.874 -9.111 1.00 0.00 C ATOM 235 NH1 ARG A 16 -5.507 -10.186 -9.059 1.00 0.00 N ATOM 236 NH2 ARG A 16 -5.577 -8.251 -10.269 1.00 0.00 N ATOM 0 H ARG A 16 -0.955 -7.946 -7.472 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.364 -9.896 -5.368 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -2.727 -9.295 -8.012 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.216 -10.614 -6.967 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -3.617 -8.917 -5.135 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.294 -7.653 -6.304 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.395 -9.784 -6.679 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -5.713 -8.221 -5.954 1.00 0.00 H new ATOM 0 HE ARG A 16 -5.187 -7.148 -8.067 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -5.401 -10.667 -8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -5.665 -10.723 -9.912 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.524 -7.233 -10.310 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -5.734 -8.788 -11.122 1.00 0.00 H new ATOM 250 N SER A 17 0.263 -10.629 -8.027 1.00 0.00 N ATOM 251 CA SER A 17 1.101 -11.660 -8.627 1.00 0.00 C ATOM 252 C SER A 17 2.198 -12.105 -7.668 1.00 0.00 C ATOM 253 O SER A 17 2.868 -11.279 -7.049 1.00 0.00 O ATOM 254 CB SER A 17 1.720 -11.147 -9.913 1.00 0.00 C ATOM 255 OG SER A 17 2.600 -12.091 -10.458 1.00 0.00 O ATOM 0 H SER A 17 0.441 -9.687 -8.375 1.00 0.00 H new ATOM 0 HA SER A 17 0.469 -12.520 -8.848 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.934 -10.919 -10.633 1.00 0.00 H new ATOM 0 HB3 SER A 17 2.254 -10.217 -9.718 1.00 0.00 H new ATOM 0 HG SER A 17 2.985 -11.739 -11.287 1.00 0.00 H new ATOM 261 N VAL A 18 2.376 -13.416 -7.549 1.00 0.00 N ATOM 262 CA VAL A 18 3.355 -13.976 -6.624 1.00 0.00 C ATOM 263 C VAL A 18 4.307 -14.926 -7.339 1.00 0.00 C ATOM 264 O VAL A 18 3.878 -15.801 -8.091 1.00 0.00 O ATOM 265 CB VAL A 18 2.644 -14.728 -5.483 1.00 0.00 C ATOM 266 CG1 VAL A 18 3.662 -15.365 -4.550 1.00 0.00 C ATOM 267 CG2 VAL A 18 1.737 -13.774 -4.721 1.00 0.00 C ATOM 0 H VAL A 18 1.854 -14.112 -8.082 1.00 0.00 H new ATOM 0 HA VAL A 18 3.932 -13.148 -6.212 1.00 0.00 H new ATOM 0 HB VAL A 18 2.033 -15.524 -5.910 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.142 -15.892 -3.750 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.277 -16.070 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.297 -14.590 -4.121 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.237 -14.312 -3.916 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.332 -12.963 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 18 0.990 -13.362 -5.400 1.00 0.00 H new ATOM 277 N PHE A 19 5.602 -14.749 -7.099 1.00 0.00 N ATOM 278 CA PHE A 19 6.614 -15.634 -7.664 1.00 0.00 C ATOM 279 C PHE A 19 6.720 -16.928 -6.867 1.00 0.00 C ATOM 280 O PHE A 19 6.850 -16.906 -5.644 1.00 0.00 O ATOM 281 CB PHE A 19 7.975 -14.937 -7.697 1.00 0.00 C ATOM 282 CG PHE A 19 9.063 -15.762 -8.324 1.00 0.00 C ATOM 283 CD1 PHE A 19 9.249 -15.761 -9.698 1.00 0.00 C ATOM 284 CD2 PHE A 19 9.902 -16.540 -7.541 1.00 0.00 C ATOM 285 CE1 PHE A 19 10.250 -16.520 -10.276 1.00 0.00 C ATOM 286 CE2 PHE A 19 10.903 -17.299 -8.115 1.00 0.00 C ATOM 287 CZ PHE A 19 11.077 -17.288 -9.485 1.00 0.00 C ATOM 0 H PHE A 19 5.976 -14.000 -6.516 1.00 0.00 H new ATOM 0 HA PHE A 19 6.310 -15.878 -8.682 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.880 -14.000 -8.246 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.267 -14.681 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 19 8.605 -15.161 -10.324 1.00 0.00 H new ATOM 0 HD2 PHE A 19 9.771 -16.553 -6.469 1.00 0.00 H new ATOM 0 HE1 PHE A 19 10.384 -16.511 -11.348 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.549 -17.901 -7.493 1.00 0.00 H new ATOM 0 HZ PHE A 19 11.860 -17.880 -9.936 1.00 0.00 H new ATOM 297 N VAL A 20 6.663 -18.055 -7.569 1.00 0.00 N ATOM 298 CA VAL A 20 6.760 -19.362 -6.929 1.00 0.00 C ATOM 299 C VAL A 20 7.947 -20.151 -7.467 1.00 0.00 C ATOM 300 O VAL A 20 8.123 -20.278 -8.678 1.00 0.00 O ATOM 301 CB VAL A 20 5.467 -20.166 -7.158 1.00 0.00 C ATOM 302 CG1 VAL A 20 5.544 -21.511 -6.450 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.268 -19.368 -6.669 1.00 0.00 C ATOM 0 H VAL A 20 6.550 -18.089 -8.582 1.00 0.00 H new ATOM 0 HA VAL A 20 6.904 -19.199 -5.861 1.00 0.00 H new ATOM 0 HB VAL A 20 5.350 -20.352 -8.226 1.00 0.00 H new ATOM 0 HG11 VAL A 20 4.622 -22.066 -6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.388 -22.080 -6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 20 5.677 -21.352 -5.380 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.357 -19.943 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.379 -19.161 -5.605 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.208 -18.428 -7.217 1.00 0.00 H new ATOM 313 N GLY A 21 8.759 -20.681 -6.558 1.00 0.00 N ATOM 314 CA GLY A 21 9.947 -21.436 -6.939 1.00 0.00 C ATOM 315 C GLY A 21 10.063 -22.723 -6.133 1.00 0.00 C ATOM 316 O GLY A 21 9.194 -23.039 -5.320 1.00 0.00 O ATOM 0 H GLY A 21 8.616 -20.601 -5.551 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.906 -21.672 -8.002 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.836 -20.824 -6.783 1.00 0.00 H new ATOM 320 N ASN A 22 11.142 -23.463 -6.362 1.00 0.00 N ATOM 321 CA ASN A 22 11.352 -24.740 -5.691 1.00 0.00 C ATOM 322 C ASN A 22 10.189 -25.691 -5.940 1.00 0.00 C ATOM 323 O ASN A 22 9.686 -26.328 -5.014 1.00 0.00 O ATOM 324 CB ASN A 22 11.564 -24.533 -4.202 1.00 0.00 C ATOM 325 CG ASN A 22 12.795 -23.725 -3.901 1.00 0.00 C ATOM 326 OD1 ASN A 22 13.590 -23.422 -4.799 1.00 0.00 O ATOM 327 ND2 ASN A 22 12.970 -23.370 -2.653 1.00 0.00 N ATOM 0 H ASN A 22 11.886 -23.200 -7.008 1.00 0.00 H new ATOM 0 HA ASN A 22 12.251 -25.194 -6.109 1.00 0.00 H new ATOM 0 HB2 ASN A 22 10.693 -24.032 -3.781 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.642 -25.503 -3.711 1.00 0.00 H new ATOM 0 HD21 ASN A 22 13.788 -22.821 -2.389 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.288 -23.642 -1.945 1.00 0.00 H new ATOM 334 N ILE A 23 9.764 -25.783 -7.195 1.00 0.00 N ATOM 335 CA ILE A 23 8.676 -26.677 -7.573 1.00 0.00 C ATOM 336 C ILE A 23 9.210 -27.993 -8.123 1.00 0.00 C ATOM 337 O ILE A 23 9.931 -28.013 -9.121 1.00 0.00 O ATOM 338 CB ILE A 23 7.760 -26.017 -8.620 1.00 0.00 C ATOM 339 CG1 ILE A 23 7.172 -24.715 -8.069 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.652 -26.972 -9.035 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.487 -23.864 -9.114 1.00 0.00 C ATOM 0 H ILE A 23 10.157 -25.248 -7.969 1.00 0.00 H new ATOM 0 HA ILE A 23 8.098 -26.882 -6.672 1.00 0.00 H new ATOM 0 HB ILE A 23 8.355 -25.780 -9.502 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.456 -24.955 -7.283 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.970 -24.134 -7.607 1.00 0.00 H new ATOM 0 HG21 ILE A 23 6.014 -26.489 -9.775 1.00 0.00 H new ATOM 0 HG22 ILE A 23 7.090 -27.873 -9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 23 6.056 -27.240 -8.162 1.00 0.00 H new ATOM 0 HD11 ILE A 23 6.096 -22.960 -8.648 1.00 0.00 H new ATOM 0 HD12 ILE A 23 7.204 -23.592 -9.889 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.666 -24.426 -9.560 1.00 0.00 H new ATOM 353 N PRO A 24 8.853 -29.092 -7.466 1.00 0.00 N ATOM 354 CA PRO A 24 9.215 -30.421 -7.943 1.00 0.00 C ATOM 355 C PRO A 24 8.753 -30.636 -9.379 1.00 0.00 C ATOM 356 O PRO A 24 7.656 -30.224 -9.756 1.00 0.00 O ATOM 357 CB PRO A 24 8.481 -31.348 -6.969 1.00 0.00 C ATOM 358 CG PRO A 24 8.344 -30.537 -5.726 1.00 0.00 C ATOM 359 CD PRO A 24 8.075 -29.140 -6.218 1.00 0.00 C ATOM 0 HA PRO A 24 10.291 -30.594 -7.965 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.508 -31.646 -7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 24 9.045 -32.263 -6.788 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.529 -30.902 -5.101 1.00 0.00 H new ATOM 0 HG3 PRO A 24 9.251 -30.578 -5.123 1.00 0.00 H new ATOM 0 HD2 PRO A 24 7.013 -28.968 -6.394 1.00 0.00 H new ATOM 0 HD3 PRO A 24 8.406 -28.386 -5.503 1.00 0.00 H new ATOM 367 N TYR A 25 9.595 -31.285 -10.175 1.00 0.00 N ATOM 368 CA TYR A 25 9.294 -31.517 -11.583 1.00 0.00 C ATOM 369 C TYR A 25 8.166 -32.527 -11.746 1.00 0.00 C ATOM 370 O TYR A 25 7.591 -32.661 -12.827 1.00 0.00 O ATOM 371 CB TYR A 25 10.545 -31.992 -12.326 1.00 0.00 C ATOM 372 CG TYR A 25 10.945 -33.414 -11.999 1.00 0.00 C ATOM 373 CD1 TYR A 25 10.442 -34.467 -12.750 1.00 0.00 C ATOM 374 CD2 TYR A 25 11.816 -33.665 -10.949 1.00 0.00 C ATOM 375 CE1 TYR A 25 10.808 -35.765 -12.451 1.00 0.00 C ATOM 376 CE2 TYR A 25 12.181 -34.963 -10.650 1.00 0.00 C ATOM 377 CZ TYR A 25 11.681 -36.010 -11.397 1.00 0.00 C ATOM 378 OH TYR A 25 12.045 -37.303 -11.099 1.00 0.00 O ATOM 0 H TYR A 25 10.493 -31.660 -9.869 1.00 0.00 H new ATOM 0 HA TYR A 25 8.966 -30.572 -12.016 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.372 -31.911 -13.399 1.00 0.00 H new ATOM 0 HB3 TYR A 25 11.374 -31.327 -12.085 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.765 -34.272 -13.568 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.209 -32.845 -10.365 1.00 0.00 H new ATOM 0 HE1 TYR A 25 10.418 -36.586 -13.034 1.00 0.00 H new ATOM 0 HE2 TYR A 25 12.858 -35.159 -9.831 1.00 0.00 H new ATOM 0 HH TYR A 25 11.321 -37.741 -10.604 1.00 0.00 H new ATOM 388 N GLU A 26 7.853 -33.236 -10.667 1.00 0.00 N ATOM 389 CA GLU A 26 6.746 -34.185 -10.668 1.00 0.00 C ATOM 390 C GLU A 26 5.448 -33.516 -10.235 1.00 0.00 C ATOM 391 O GLU A 26 4.368 -34.092 -10.364 1.00 0.00 O ATOM 392 CB GLU A 26 7.054 -35.366 -9.746 1.00 0.00 C ATOM 393 CG GLU A 26 8.234 -36.219 -10.191 1.00 0.00 C ATOM 394 CD GLU A 26 8.494 -37.381 -9.273 1.00 0.00 C ATOM 395 OE1 GLU A 26 7.848 -37.468 -8.257 1.00 0.00 O ATOM 396 OE2 GLU A 26 9.341 -38.184 -9.589 1.00 0.00 O ATOM 0 H GLU A 26 8.351 -33.171 -9.779 1.00 0.00 H new ATOM 0 HA GLU A 26 6.622 -34.550 -11.687 1.00 0.00 H new ATOM 0 HB2 GLU A 26 7.253 -34.987 -8.744 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.169 -35.999 -9.678 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.047 -36.592 -11.198 1.00 0.00 H new ATOM 0 HG3 GLU A 26 9.127 -35.596 -10.243 1.00 0.00 H new ATOM 403 N ALA A 27 5.560 -32.295 -9.721 1.00 0.00 N ATOM 404 CA ALA A 27 4.406 -31.580 -9.189 1.00 0.00 C ATOM 405 C ALA A 27 3.583 -30.952 -10.306 1.00 0.00 C ATOM 406 O ALA A 27 4.123 -30.547 -11.336 1.00 0.00 O ATOM 407 CB ALA A 27 4.855 -30.513 -8.200 1.00 0.00 C ATOM 0 H ALA A 27 6.439 -31.780 -9.662 1.00 0.00 H new ATOM 0 HA ALA A 27 3.774 -32.301 -8.670 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.983 -29.987 -7.811 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.392 -30.983 -7.376 1.00 0.00 H new ATOM 0 HB3 ALA A 27 5.512 -29.803 -8.703 1.00 0.00 H new ATOM 413 N THR A 28 2.273 -30.875 -10.097 1.00 0.00 N ATOM 414 CA THR A 28 1.374 -30.284 -11.081 1.00 0.00 C ATOM 415 C THR A 28 0.887 -28.913 -10.629 1.00 0.00 C ATOM 416 O THR A 28 1.095 -28.517 -9.482 1.00 0.00 O ATOM 417 CB THR A 28 0.165 -31.200 -11.349 1.00 0.00 C ATOM 418 OG1 THR A 28 -0.670 -31.245 -10.184 1.00 0.00 O ATOM 419 CG2 THR A 28 0.628 -32.607 -11.692 1.00 0.00 C ATOM 0 H THR A 28 1.810 -31.215 -9.254 1.00 0.00 H new ATOM 0 HA THR A 28 1.940 -30.168 -12.006 1.00 0.00 H new ATOM 0 HB THR A 28 -0.397 -30.799 -12.192 1.00 0.00 H new ATOM 0 HG1 THR A 28 -1.440 -31.827 -10.356 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.239 -33.240 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.253 -32.577 -12.584 1.00 0.00 H new ATOM 0 HG23 THR A 28 1.202 -33.014 -10.860 1.00 0.00 H new ATOM 427 N GLU A 29 0.239 -28.192 -11.537 1.00 0.00 N ATOM 428 CA GLU A 29 -0.313 -26.880 -11.222 1.00 0.00 C ATOM 429 C GLU A 29 -1.449 -26.988 -10.213 1.00 0.00 C ATOM 430 O GLU A 29 -1.625 -26.112 -9.366 1.00 0.00 O ATOM 431 CB GLU A 29 -0.811 -26.191 -12.494 1.00 0.00 C ATOM 432 CG GLU A 29 0.294 -25.755 -13.447 1.00 0.00 C ATOM 433 CD GLU A 29 -0.235 -25.183 -14.733 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.306 -25.568 -15.136 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.433 -24.360 -15.312 1.00 0.00 O ATOM 0 H GLU A 29 0.083 -28.495 -12.498 1.00 0.00 H new ATOM 0 HA GLU A 29 0.483 -26.282 -10.779 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.482 -26.869 -13.021 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.398 -25.316 -12.213 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.919 -25.011 -12.954 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.932 -26.610 -13.671 1.00 0.00 H new ATOM 442 N GLU A 30 -2.219 -28.066 -10.310 1.00 0.00 N ATOM 443 CA GLU A 30 -3.390 -28.250 -9.461 1.00 0.00 C ATOM 444 C GLU A 30 -2.987 -28.544 -8.022 1.00 0.00 C ATOM 445 O GLU A 30 -3.650 -28.109 -7.080 1.00 0.00 O ATOM 446 CB GLU A 30 -4.265 -29.386 -9.998 1.00 0.00 C ATOM 447 CG GLU A 30 -4.968 -29.070 -11.311 1.00 0.00 C ATOM 448 CD GLU A 30 -5.931 -27.921 -11.197 1.00 0.00 C ATOM 449 OE1 GLU A 30 -6.747 -27.940 -10.308 1.00 0.00 O ATOM 450 OE2 GLU A 30 -5.849 -27.022 -12.001 1.00 0.00 O ATOM 0 H GLU A 30 -2.053 -28.827 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.960 -27.321 -9.475 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -3.645 -30.272 -10.136 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.016 -29.636 -9.248 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.221 -28.838 -12.070 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.505 -29.955 -11.652 1.00 0.00 H new ATOM 457 N GLN A 31 -1.897 -29.286 -7.858 1.00 0.00 N ATOM 458 CA GLN A 31 -1.372 -29.594 -6.533 1.00 0.00 C ATOM 459 C GLN A 31 -0.935 -28.329 -5.806 1.00 0.00 C ATOM 460 O GLN A 31 -1.219 -28.153 -4.621 1.00 0.00 O ATOM 461 CB GLN A 31 -0.197 -30.570 -6.636 1.00 0.00 C ATOM 462 CG GLN A 31 -0.595 -31.985 -7.019 1.00 0.00 C ATOM 463 CD GLN A 31 0.606 -32.893 -7.205 1.00 0.00 C ATOM 464 OE1 GLN A 31 1.578 -32.532 -7.874 1.00 0.00 O ATOM 465 NE2 GLN A 31 0.546 -34.080 -6.611 1.00 0.00 N ATOM 0 H GLN A 31 -1.359 -29.686 -8.627 1.00 0.00 H new ATOM 0 HA GLN A 31 -2.172 -30.060 -5.958 1.00 0.00 H new ATOM 0 HB2 GLN A 31 0.511 -30.192 -7.373 1.00 0.00 H new ATOM 0 HB3 GLN A 31 0.323 -30.597 -5.678 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -1.244 -32.399 -6.247 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -1.174 -31.959 -7.942 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.278 -34.337 -6.067 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.324 -34.734 -6.699 1.00 0.00 H new ATOM 474 N LEU A 32 -0.243 -27.449 -6.522 1.00 0.00 N ATOM 475 CA LEU A 32 0.111 -26.138 -5.992 1.00 0.00 C ATOM 476 C LEU A 32 -1.126 -25.273 -5.790 1.00 0.00 C ATOM 477 O LEU A 32 -1.237 -24.553 -4.798 1.00 0.00 O ATOM 478 CB LEU A 32 1.090 -25.431 -6.937 1.00 0.00 C ATOM 479 CG LEU A 32 2.529 -25.961 -6.924 1.00 0.00 C ATOM 480 CD1 LEU A 32 3.297 -25.377 -8.102 1.00 0.00 C ATOM 481 CD2 LEU A 32 3.192 -25.597 -5.604 1.00 0.00 C ATOM 0 H LEU A 32 0.084 -27.621 -7.473 1.00 0.00 H new ATOM 0 HA LEU A 32 0.588 -26.286 -5.023 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.704 -25.507 -7.953 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.111 -24.371 -6.682 1.00 0.00 H new ATOM 0 HG LEU A 32 2.527 -27.047 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.320 -25.754 -8.092 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.812 -25.669 -9.033 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.310 -24.290 -8.025 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.215 -25.974 -5.595 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.203 -24.513 -5.489 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.633 -26.043 -4.781 1.00 0.00 H new ATOM 493 N LYS A 33 -2.055 -25.347 -6.738 1.00 0.00 N ATOM 494 CA LYS A 33 -3.301 -24.595 -6.650 1.00 0.00 C ATOM 495 C LYS A 33 -4.048 -24.915 -5.362 1.00 0.00 C ATOM 496 O LYS A 33 -4.623 -24.029 -4.730 1.00 0.00 O ATOM 497 CB LYS A 33 -4.190 -24.889 -7.860 1.00 0.00 C ATOM 498 CG LYS A 33 -5.459 -24.050 -7.927 1.00 0.00 C ATOM 499 CD LYS A 33 -6.304 -24.421 -9.136 1.00 0.00 C ATOM 500 CE LYS A 33 -5.678 -23.912 -10.427 1.00 0.00 C ATOM 501 NZ LYS A 33 -6.466 -24.314 -11.623 1.00 0.00 N ATOM 0 H LYS A 33 -1.968 -25.921 -7.577 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.050 -23.534 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.612 -24.724 -8.769 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.466 -25.943 -7.845 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -6.041 -24.193 -7.016 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.197 -22.993 -7.975 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -6.415 -25.504 -9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -7.304 -24.003 -9.025 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.603 -22.825 -10.390 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.663 -24.298 -10.515 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.289 -23.643 -12.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.182 -25.269 -11.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.479 -24.312 -11.388 1.00 0.00 H new ATOM 515 N ASP A 34 -4.035 -26.187 -4.977 1.00 0.00 N ATOM 516 CA ASP A 34 -4.703 -26.625 -3.757 1.00 0.00 C ATOM 517 C ASP A 34 -4.172 -25.877 -2.540 1.00 0.00 C ATOM 518 O ASP A 34 -4.941 -25.306 -1.767 1.00 0.00 O ATOM 519 CB ASP A 34 -4.520 -28.131 -3.557 1.00 0.00 C ATOM 520 CG ASP A 34 -5.367 -28.962 -4.511 1.00 0.00 C ATOM 521 OD1 ASP A 34 -6.293 -28.427 -5.073 1.00 0.00 O ATOM 522 OD2 ASP A 34 -5.080 -30.125 -4.669 1.00 0.00 O ATOM 0 H ASP A 34 -3.569 -26.933 -5.493 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.765 -26.404 -3.863 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.469 -28.386 -3.696 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.778 -28.390 -2.530 1.00 0.00 H new ATOM 527 N ILE A 35 -2.854 -25.885 -2.375 1.00 0.00 N ATOM 528 CA ILE A 35 -2.223 -25.262 -1.218 1.00 0.00 C ATOM 529 C ILE A 35 -2.241 -23.743 -1.331 1.00 0.00 C ATOM 530 O ILE A 35 -2.052 -23.035 -0.342 1.00 0.00 O ATOM 531 CB ILE A 35 -0.771 -25.748 -1.056 1.00 0.00 C ATOM 532 CG1 ILE A 35 0.082 -25.283 -2.239 1.00 0.00 C ATOM 533 CG2 ILE A 35 -0.728 -27.263 -0.928 1.00 0.00 C ATOM 534 CD1 ILE A 35 1.565 -25.508 -2.048 1.00 0.00 C ATOM 0 H ILE A 35 -2.201 -26.317 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 35 -2.797 -25.555 -0.339 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.360 -25.315 -0.144 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.243 -25.808 -3.138 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.096 -24.221 -2.408 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.306 -27.589 -0.814 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.304 -27.571 -0.055 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.155 -27.716 -1.823 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.103 -25.154 -2.927 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.906 -24.961 -1.169 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.757 -26.572 -1.910 1.00 0.00 H new ATOM 546 N PHE A 36 -2.470 -23.248 -2.542 1.00 0.00 N ATOM 547 CA PHE A 36 -2.649 -21.818 -2.764 1.00 0.00 C ATOM 548 C PHE A 36 -4.022 -21.355 -2.293 1.00 0.00 C ATOM 549 O PHE A 36 -4.194 -20.207 -1.883 1.00 0.00 O ATOM 550 CB PHE A 36 -2.472 -21.480 -4.245 1.00 0.00 C ATOM 551 CG PHE A 36 -1.058 -21.618 -4.733 1.00 0.00 C ATOM 552 CD1 PHE A 36 -0.017 -21.820 -3.839 1.00 0.00 C ATOM 553 CD2 PHE A 36 -0.765 -21.545 -6.086 1.00 0.00 C ATOM 554 CE1 PHE A 36 1.284 -21.946 -4.287 1.00 0.00 C ATOM 555 CE2 PHE A 36 0.534 -21.672 -6.537 1.00 0.00 C ATOM 556 CZ PHE A 36 1.560 -21.873 -5.635 1.00 0.00 C ATOM 0 H PHE A 36 -2.536 -23.817 -3.386 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.889 -21.295 -2.183 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.116 -22.131 -4.836 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.808 -20.458 -4.418 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.226 -21.879 -2.781 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.563 -21.387 -6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.085 -22.102 -3.580 1.00 0.00 H new ATOM 0 HE2 PHE A 36 0.747 -21.614 -7.594 1.00 0.00 H new ATOM 0 HZ PHE A 36 2.577 -21.973 -5.985 1.00 0.00 H new ATOM 566 N SER A 37 -4.998 -22.255 -2.355 1.00 0.00 N ATOM 567 CA SER A 37 -6.341 -21.964 -1.867 1.00 0.00 C ATOM 568 C SER A 37 -6.420 -22.107 -0.353 1.00 0.00 C ATOM 569 O SER A 37 -7.287 -21.516 0.291 1.00 0.00 O ATOM 570 CB SER A 37 -7.346 -22.890 -2.525 1.00 0.00 C ATOM 571 OG SER A 37 -7.205 -24.201 -2.053 1.00 0.00 O ATOM 0 H SER A 37 -4.884 -23.193 -2.739 1.00 0.00 H new ATOM 0 HA SER A 37 -6.577 -20.932 -2.125 1.00 0.00 H new ATOM 0 HB2 SER A 37 -8.357 -22.535 -2.326 1.00 0.00 H new ATOM 0 HB3 SER A 37 -7.209 -22.872 -3.606 1.00 0.00 H new ATOM 0 HG SER A 37 -6.254 -24.436 -2.018 1.00 0.00 H new ATOM 577 N GLU A 38 -5.510 -22.894 0.211 1.00 0.00 N ATOM 578 CA GLU A 38 -5.449 -23.082 1.655 1.00 0.00 C ATOM 579 C GLU A 38 -5.125 -21.775 2.367 1.00 0.00 C ATOM 580 O GLU A 38 -5.467 -21.592 3.535 1.00 0.00 O ATOM 581 CB GLU A 38 -4.403 -24.140 2.012 1.00 0.00 C ATOM 582 CG GLU A 38 -4.804 -25.565 1.657 1.00 0.00 C ATOM 583 CD GLU A 38 -3.803 -26.587 2.119 1.00 0.00 C ATOM 584 OE1 GLU A 38 -2.753 -26.200 2.572 1.00 0.00 O ATOM 585 OE2 GLU A 38 -4.088 -27.757 2.017 1.00 0.00 O ATOM 0 H GLU A 38 -4.804 -23.412 -0.311 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.430 -23.421 1.988 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.471 -23.899 1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.202 -24.088 3.082 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.774 -25.786 2.103 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.925 -25.645 0.577 1.00 0.00 H new ATOM 592 N VAL A 39 -4.464 -20.868 1.656 1.00 0.00 N ATOM 593 CA VAL A 39 -4.049 -19.595 2.234 1.00 0.00 C ATOM 594 C VAL A 39 -4.878 -18.443 1.681 1.00 0.00 C ATOM 595 O VAL A 39 -4.442 -17.291 1.690 1.00 0.00 O ATOM 596 CB VAL A 39 -2.559 -19.337 1.944 1.00 0.00 C ATOM 597 CG1 VAL A 39 -1.694 -20.384 2.630 1.00 0.00 C ATOM 598 CG2 VAL A 39 -2.316 -19.336 0.443 1.00 0.00 C ATOM 0 H VAL A 39 -4.204 -20.991 0.677 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.207 -19.653 3.311 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.285 -18.360 2.342 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.644 -20.186 2.414 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -1.857 -20.342 3.707 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -1.960 -21.374 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.260 -19.153 0.246 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.600 -20.303 0.028 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.913 -18.552 -0.022 1.00 0.00 H new ATOM 608 N GLY A 40 -6.075 -18.759 1.199 1.00 0.00 N ATOM 609 CA GLY A 40 -7.023 -17.738 0.770 1.00 0.00 C ATOM 610 C GLY A 40 -7.400 -17.916 -0.695 1.00 0.00 C ATOM 611 O GLY A 40 -6.745 -18.656 -1.429 1.00 0.00 O ATOM 0 H GLY A 40 -6.412 -19.716 1.096 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.920 -17.788 1.388 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.589 -16.749 0.919 1.00 0.00 H new ATOM 615 N PRO A 41 -8.460 -17.234 -1.115 1.00 0.00 N ATOM 616 CA PRO A 41 -8.926 -17.316 -2.494 1.00 0.00 C ATOM 617 C PRO A 41 -7.802 -17.010 -3.474 1.00 0.00 C ATOM 618 O PRO A 41 -7.068 -16.035 -3.309 1.00 0.00 O ATOM 619 CB PRO A 41 -10.028 -16.252 -2.549 1.00 0.00 C ATOM 620 CG PRO A 41 -10.565 -16.210 -1.159 1.00 0.00 C ATOM 621 CD PRO A 41 -9.353 -16.382 -0.283 1.00 0.00 C ATOM 0 HA PRO A 41 -9.280 -18.309 -2.772 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.631 -15.283 -2.852 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.803 -16.518 -3.268 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -11.070 -15.266 -0.957 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -11.293 -17.004 -0.990 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.889 -15.425 -0.042 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -9.603 -16.862 0.663 1.00 0.00 H new ATOM 629 N VAL A 42 -7.670 -17.850 -4.496 1.00 0.00 N ATOM 630 CA VAL A 42 -6.629 -17.675 -5.502 1.00 0.00 C ATOM 631 C VAL A 42 -7.208 -17.737 -6.910 1.00 0.00 C ATOM 632 O VAL A 42 -8.125 -18.513 -7.181 1.00 0.00 O ATOM 633 CB VAL A 42 -5.548 -18.760 -5.347 1.00 0.00 C ATOM 634 CG1 VAL A 42 -6.153 -20.145 -5.525 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.431 -18.526 -6.352 1.00 0.00 C ATOM 0 H VAL A 42 -8.272 -18.659 -4.649 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.184 -16.692 -5.350 1.00 0.00 H new ATOM 0 HB VAL A 42 -5.130 -18.701 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.374 -20.899 -5.412 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.925 -20.304 -4.772 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.594 -20.224 -6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -3.670 -19.298 -6.236 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.837 -18.565 -7.363 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.984 -17.547 -6.178 1.00 0.00 H new ATOM 645 N VAL A 43 -6.668 -16.916 -7.803 1.00 0.00 N ATOM 646 CA VAL A 43 -7.251 -16.731 -9.127 1.00 0.00 C ATOM 647 C VAL A 43 -6.767 -17.801 -10.096 1.00 0.00 C ATOM 648 O VAL A 43 -7.564 -18.556 -10.652 1.00 0.00 O ATOM 649 CB VAL A 43 -6.892 -15.340 -9.680 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.377 -15.196 -11.115 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.495 -14.259 -8.796 1.00 0.00 C ATOM 0 H VAL A 43 -5.825 -16.367 -7.634 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.333 -16.815 -9.027 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.808 -15.228 -9.677 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.115 -14.207 -11.490 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.905 -15.957 -11.737 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.459 -15.321 -11.148 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.237 -13.278 -9.194 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.579 -14.368 -8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.102 -14.355 -7.784 1.00 0.00 H new ATOM 661 N SER A 44 -5.454 -17.861 -10.296 1.00 0.00 N ATOM 662 CA SER A 44 -4.871 -18.751 -11.293 1.00 0.00 C ATOM 663 C SER A 44 -3.372 -18.915 -11.074 1.00 0.00 C ATOM 664 O SER A 44 -2.703 -18.005 -10.584 1.00 0.00 O ATOM 665 CB SER A 44 -5.132 -18.215 -12.687 1.00 0.00 C ATOM 666 OG SER A 44 -4.540 -19.034 -13.658 1.00 0.00 O ATOM 0 H SER A 44 -4.774 -17.303 -9.780 1.00 0.00 H new ATOM 0 HA SER A 44 -5.341 -19.729 -11.188 1.00 0.00 H new ATOM 0 HB2 SER A 44 -6.206 -18.155 -12.862 1.00 0.00 H new ATOM 0 HB3 SER A 44 -4.738 -17.202 -12.771 1.00 0.00 H new ATOM 0 HG SER A 44 -4.193 -18.479 -14.387 1.00 0.00 H new ATOM 672 N PHE A 45 -2.850 -20.080 -11.441 1.00 0.00 N ATOM 673 CA PHE A 45 -1.415 -20.332 -11.372 1.00 0.00 C ATOM 674 C PHE A 45 -0.891 -20.895 -12.687 1.00 0.00 C ATOM 675 O PHE A 45 -1.574 -21.668 -13.359 1.00 0.00 O ATOM 676 CB PHE A 45 -1.098 -21.304 -10.234 1.00 0.00 C ATOM 677 CG PHE A 45 0.294 -21.865 -10.287 1.00 0.00 C ATOM 678 CD1 PHE A 45 1.391 -21.067 -9.995 1.00 0.00 C ATOM 679 CD2 PHE A 45 0.511 -23.191 -10.630 1.00 0.00 C ATOM 680 CE1 PHE A 45 2.672 -21.583 -10.043 1.00 0.00 C ATOM 681 CE2 PHE A 45 1.790 -23.709 -10.678 1.00 0.00 C ATOM 682 CZ PHE A 45 2.872 -22.903 -10.385 1.00 0.00 C ATOM 0 H PHE A 45 -3.399 -20.866 -11.790 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.920 -19.380 -11.181 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.238 -20.792 -9.282 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.813 -22.127 -10.261 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.242 -20.031 -9.727 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -0.331 -23.826 -10.862 1.00 0.00 H new ATOM 0 HE1 PHE A 45 3.517 -20.951 -9.812 1.00 0.00 H new ATOM 0 HE2 PHE A 45 1.944 -24.744 -10.945 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.873 -23.306 -10.424 1.00 0.00 H new ATOM 692 N ARG A 46 0.325 -20.502 -13.050 1.00 0.00 N ATOM 693 CA ARG A 46 0.964 -21.006 -14.259 1.00 0.00 C ATOM 694 C ARG A 46 2.359 -21.544 -13.962 1.00 0.00 C ATOM 695 O ARG A 46 3.201 -20.838 -13.408 1.00 0.00 O ATOM 696 CB ARG A 46 1.060 -19.912 -15.312 1.00 0.00 C ATOM 697 CG ARG A 46 -0.276 -19.406 -15.832 1.00 0.00 C ATOM 698 CD ARG A 46 -0.967 -20.430 -16.656 1.00 0.00 C ATOM 699 NE ARG A 46 -2.227 -19.937 -17.190 1.00 0.00 N ATOM 700 CZ ARG A 46 -3.408 -20.000 -16.545 1.00 0.00 C ATOM 701 NH1 ARG A 46 -3.475 -20.535 -15.346 1.00 0.00 N ATOM 702 NH2 ARG A 46 -4.500 -19.522 -17.117 1.00 0.00 N ATOM 0 H ARG A 46 0.888 -19.835 -12.523 1.00 0.00 H new ATOM 0 HA ARG A 46 0.347 -21.820 -14.639 1.00 0.00 H new ATOM 0 HB2 ARG A 46 1.612 -19.071 -14.892 1.00 0.00 H new ATOM 0 HB3 ARG A 46 1.642 -20.288 -16.153 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -0.911 -19.126 -14.992 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -0.118 -18.506 -16.426 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -0.318 -20.733 -17.478 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -1.152 -21.318 -16.052 1.00 0.00 H new ATOM 0 HE ARG A 46 -2.216 -19.514 -18.118 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.633 -20.903 -14.904 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -4.369 -20.582 -14.858 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -4.448 -19.106 -18.047 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -5.394 -19.570 -16.629 1.00 0.00 H new ATOM 716 N LEU A 47 2.596 -22.797 -14.333 1.00 0.00 N ATOM 717 CA LEU A 47 3.899 -23.421 -14.137 1.00 0.00 C ATOM 718 C LEU A 47 4.713 -23.413 -15.425 1.00 0.00 C ATOM 719 O LEU A 47 4.274 -23.930 -16.451 1.00 0.00 O ATOM 720 CB LEU A 47 3.728 -24.862 -13.642 1.00 0.00 C ATOM 721 CG LEU A 47 5.022 -25.671 -13.489 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.902 -25.026 -12.427 1.00 0.00 C ATOM 723 CD2 LEU A 47 4.682 -27.107 -13.118 1.00 0.00 C ATOM 0 H LEU A 47 1.902 -23.402 -14.772 1.00 0.00 H new ATOM 0 HA LEU A 47 4.437 -22.842 -13.386 1.00 0.00 H new ATOM 0 HB2 LEU A 47 3.220 -24.838 -12.678 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.072 -25.389 -14.334 1.00 0.00 H new ATOM 0 HG LEU A 47 5.570 -25.679 -14.431 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.822 -25.601 -12.318 1.00 0.00 H new ATOM 0 HD12 LEU A 47 6.145 -24.006 -12.726 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.370 -25.008 -11.476 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.601 -27.682 -13.009 1.00 0.00 H new ATOM 0 HD22 LEU A 47 4.133 -27.119 -12.177 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.068 -27.550 -13.902 1.00 0.00 H new ATOM 735 N VAL A 48 5.902 -22.822 -15.363 1.00 0.00 N ATOM 736 CA VAL A 48 6.767 -22.718 -16.532 1.00 0.00 C ATOM 737 C VAL A 48 7.658 -23.946 -16.669 1.00 0.00 C ATOM 738 O VAL A 48 8.240 -24.414 -15.690 1.00 0.00 O ATOM 739 CB VAL A 48 7.646 -21.457 -16.436 1.00 0.00 C ATOM 740 CG1 VAL A 48 8.600 -21.382 -17.619 1.00 0.00 C ATOM 741 CG2 VAL A 48 6.768 -20.217 -16.372 1.00 0.00 C ATOM 0 H VAL A 48 6.288 -22.408 -14.515 1.00 0.00 H new ATOM 0 HA VAL A 48 6.128 -22.651 -17.412 1.00 0.00 H new ATOM 0 HB VAL A 48 8.241 -21.509 -15.525 1.00 0.00 H new ATOM 0 HG11 VAL A 48 9.214 -20.485 -17.535 1.00 0.00 H new ATOM 0 HG12 VAL A 48 9.243 -22.262 -17.624 1.00 0.00 H new ATOM 0 HG13 VAL A 48 8.028 -21.345 -18.546 1.00 0.00 H new ATOM 0 HG21 VAL A 48 7.397 -19.329 -16.304 1.00 0.00 H new ATOM 0 HG22 VAL A 48 6.154 -20.159 -17.271 1.00 0.00 H new ATOM 0 HG23 VAL A 48 6.123 -20.273 -15.495 1.00 0.00 H new ATOM 878 N LYS A 57 10.522 -26.183 -15.037 1.00 0.00 N ATOM 879 CA LYS A 57 11.771 -25.519 -14.684 1.00 0.00 C ATOM 880 C LYS A 57 11.906 -25.365 -13.175 1.00 0.00 C ATOM 881 O LYS A 57 12.986 -25.064 -12.666 1.00 0.00 O ATOM 882 CB LYS A 57 11.861 -24.151 -15.363 1.00 0.00 C ATOM 883 CG LYS A 57 11.994 -24.208 -16.879 1.00 0.00 C ATOM 884 CD LYS A 57 12.171 -22.818 -17.471 1.00 0.00 C ATOM 885 CE LYS A 57 12.273 -22.871 -18.988 1.00 0.00 C ATOM 886 NZ LYS A 57 12.471 -21.520 -19.580 1.00 0.00 N ATOM 0 HA LYS A 57 12.592 -26.144 -15.037 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.971 -23.574 -15.110 1.00 0.00 H new ATOM 0 HB3 LYS A 57 12.717 -23.612 -14.955 1.00 0.00 H new ATOM 0 HG2 LYS A 57 12.847 -24.831 -17.148 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.108 -24.678 -17.307 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.329 -22.188 -17.183 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.069 -22.357 -17.060 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.103 -23.517 -19.273 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.366 -23.317 -19.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.535 -21.601 -20.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.667 -20.910 -19.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 13.349 -21.104 -19.210 1.00 0.00 H new ATOM 900 N GLY A 58 10.804 -25.572 -12.463 1.00 0.00 N ATOM 901 CA GLY A 58 10.804 -25.484 -11.008 1.00 0.00 C ATOM 902 C GLY A 58 10.326 -24.116 -10.539 1.00 0.00 C ATOM 903 O GLY A 58 10.322 -23.825 -9.343 1.00 0.00 O ATOM 0 H GLY A 58 9.898 -25.802 -12.871 1.00 0.00 H new ATOM 0 HA2 GLY A 58 10.159 -26.259 -10.594 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.809 -25.670 -10.630 1.00 0.00 H new ATOM 907 N TYR A 59 9.923 -23.278 -11.488 1.00 0.00 N ATOM 908 CA TYR A 59 9.490 -21.921 -11.179 1.00 0.00 C ATOM 909 C TYR A 59 8.203 -21.572 -11.915 1.00 0.00 C ATOM 910 O TYR A 59 7.911 -22.129 -12.973 1.00 0.00 O ATOM 911 CB TYR A 59 10.590 -20.915 -11.528 1.00 0.00 C ATOM 912 CG TYR A 59 11.899 -21.170 -10.814 1.00 0.00 C ATOM 913 CD1 TYR A 59 12.902 -21.895 -11.441 1.00 0.00 C ATOM 914 CD2 TYR A 59 12.097 -20.679 -9.532 1.00 0.00 C ATOM 915 CE1 TYR A 59 14.097 -22.128 -10.789 1.00 0.00 C ATOM 916 CE2 TYR A 59 13.292 -20.912 -8.880 1.00 0.00 C ATOM 917 CZ TYR A 59 14.289 -21.633 -9.504 1.00 0.00 C ATOM 918 OH TYR A 59 15.480 -21.864 -8.854 1.00 0.00 O ATOM 0 H TYR A 59 9.887 -23.516 -12.479 1.00 0.00 H new ATOM 0 HA TYR A 59 9.292 -21.869 -10.108 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.763 -20.939 -12.604 1.00 0.00 H new ATOM 0 HB3 TYR A 59 10.243 -19.911 -11.283 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.748 -22.277 -12.439 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.317 -20.114 -9.044 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.879 -22.692 -11.275 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.446 -20.530 -7.882 1.00 0.00 H new ATOM 0 HH TYR A 59 15.454 -21.450 -7.966 1.00 0.00 H new ATOM 928 N GLY A 60 7.436 -20.646 -11.349 1.00 0.00 N ATOM 929 CA GLY A 60 6.220 -20.161 -11.991 1.00 0.00 C ATOM 930 C GLY A 60 5.717 -18.886 -11.326 1.00 0.00 C ATOM 931 O GLY A 60 6.473 -18.185 -10.654 1.00 0.00 O ATOM 0 H GLY A 60 7.636 -20.216 -10.446 1.00 0.00 H new ATOM 0 HA2 GLY A 60 6.414 -19.972 -13.047 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.448 -20.929 -11.941 1.00 0.00 H new ATOM 935 N PHE A 61 4.435 -18.592 -11.516 1.00 0.00 N ATOM 936 CA PHE A 61 3.820 -17.420 -10.906 1.00 0.00 C ATOM 937 C PHE A 61 2.333 -17.643 -10.660 1.00 0.00 C ATOM 938 O PHE A 61 1.686 -18.413 -11.370 1.00 0.00 O ATOM 939 CB PHE A 61 4.016 -16.190 -11.795 1.00 0.00 C ATOM 940 CG PHE A 61 3.396 -16.322 -13.157 1.00 0.00 C ATOM 941 CD1 PHE A 61 2.131 -15.812 -13.411 1.00 0.00 C ATOM 942 CD2 PHE A 61 4.075 -16.956 -14.186 1.00 0.00 C ATOM 943 CE1 PHE A 61 1.559 -15.933 -14.664 1.00 0.00 C ATOM 944 CE2 PHE A 61 3.507 -17.077 -15.439 1.00 0.00 C ATOM 945 CZ PHE A 61 2.247 -16.565 -15.678 1.00 0.00 C ATOM 0 H PHE A 61 3.802 -19.150 -12.088 1.00 0.00 H new ATOM 0 HA PHE A 61 4.308 -17.252 -9.946 1.00 0.00 H new ATOM 0 HB2 PHE A 61 3.590 -15.320 -11.295 1.00 0.00 H new ATOM 0 HB3 PHE A 61 5.084 -16.002 -11.909 1.00 0.00 H new ATOM 0 HD1 PHE A 61 1.587 -15.315 -12.621 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.060 -17.360 -14.006 1.00 0.00 H new ATOM 0 HE1 PHE A 61 0.573 -15.532 -14.848 1.00 0.00 H new ATOM 0 HE2 PHE A 61 4.048 -17.572 -16.232 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.801 -16.659 -16.657 1.00 0.00 H new ATOM 955 N CYS A 62 1.797 -16.965 -9.651 1.00 0.00 N ATOM 956 CA CYS A 62 0.421 -17.189 -9.223 1.00 0.00 C ATOM 957 C CYS A 62 -0.295 -15.871 -8.960 1.00 0.00 C ATOM 958 O CYS A 62 0.245 -14.979 -8.305 1.00 0.00 O ATOM 959 CB CYS A 62 0.384 -18.045 -7.957 1.00 0.00 C ATOM 960 SG CYS A 62 -1.283 -18.481 -7.408 1.00 0.00 S ATOM 0 H CYS A 62 2.295 -16.255 -9.114 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.091 -17.713 -10.030 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.948 -18.961 -8.134 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.891 -17.509 -7.154 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.241 -19.591 -6.733 1.00 0.00 H new ATOM 966 N GLU A 63 -1.514 -15.753 -9.474 1.00 0.00 N ATOM 967 CA GLU A 63 -2.353 -14.592 -9.200 1.00 0.00 C ATOM 968 C GLU A 63 -3.359 -14.887 -8.095 1.00 0.00 C ATOM 969 O GLU A 63 -4.115 -15.855 -8.174 1.00 0.00 O ATOM 970 CB GLU A 63 -3.087 -14.153 -10.469 1.00 0.00 C ATOM 971 CG GLU A 63 -3.958 -12.916 -10.295 1.00 0.00 C ATOM 972 CD GLU A 63 -4.652 -12.507 -11.564 1.00 0.00 C ATOM 973 OE1 GLU A 63 -4.401 -13.112 -12.578 1.00 0.00 O ATOM 974 OE2 GLU A 63 -5.436 -11.588 -11.519 1.00 0.00 O ATOM 0 H GLU A 63 -1.944 -16.448 -10.084 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.703 -13.784 -8.865 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -2.352 -13.958 -11.250 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.711 -14.976 -10.816 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.704 -13.109 -9.524 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.341 -12.090 -9.942 1.00 0.00 H new ATOM 981 N TYR A 64 -3.363 -14.047 -7.066 1.00 0.00 N ATOM 982 CA TYR A 64 -4.278 -14.216 -5.943 1.00 0.00 C ATOM 983 C TYR A 64 -5.383 -13.168 -5.970 1.00 0.00 C ATOM 984 O TYR A 64 -5.271 -12.152 -6.657 1.00 0.00 O ATOM 985 CB TYR A 64 -3.517 -14.150 -4.617 1.00 0.00 C ATOM 986 CG TYR A 64 -2.640 -15.354 -4.356 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.370 -15.421 -4.910 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.106 -16.392 -3.563 1.00 0.00 C ATOM 989 CE1 TYR A 64 -0.569 -16.521 -4.671 1.00 0.00 C ATOM 990 CE2 TYR A 64 -2.305 -17.492 -3.325 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.041 -17.558 -3.876 1.00 0.00 C ATOM 992 OH TYR A 64 -0.244 -18.654 -3.638 1.00 0.00 O ATOM 0 H TYR A 64 -2.742 -13.241 -6.986 1.00 0.00 H new ATOM 0 HA TYR A 64 -4.741 -15.199 -6.034 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.898 -13.253 -4.608 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.234 -14.051 -3.802 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.007 -14.613 -5.528 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.095 -16.340 -3.132 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.420 -16.575 -5.101 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -2.668 -18.301 -2.708 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.667 -19.454 -4.014 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.450 -13.420 -5.220 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.628 -12.562 -5.249 1.00 0.00 C ATOM 1004 C GLN A 65 -7.295 -11.153 -4.774 1.00 0.00 C ATOM 1005 O GLN A 65 -7.791 -10.169 -5.323 1.00 0.00 O ATOM 1006 CB GLN A 65 -8.745 -13.154 -4.386 1.00 0.00 C ATOM 1007 CG GLN A 65 -10.051 -12.380 -4.440 1.00 0.00 C ATOM 1008 CD GLN A 65 -10.672 -12.390 -5.824 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -10.883 -13.451 -6.418 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -10.968 -11.205 -6.346 1.00 0.00 N ATOM 0 H GLN A 65 -6.523 -14.213 -4.583 1.00 0.00 H new ATOM 0 HA GLN A 65 -7.971 -12.504 -6.282 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -8.930 -14.180 -4.705 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -8.405 -13.198 -3.351 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -10.754 -12.809 -3.726 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.873 -11.350 -4.132 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -10.776 -10.353 -5.819 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -11.387 -11.147 -7.274 1.00 0.00 H new ATOM 1019 N ASP A 66 -6.453 -11.063 -3.751 1.00 0.00 N ATOM 1020 CA ASP A 66 -5.999 -9.774 -3.243 1.00 0.00 C ATOM 1021 C ASP A 66 -4.594 -9.874 -2.663 1.00 0.00 C ATOM 1022 O ASP A 66 -4.017 -10.959 -2.592 1.00 0.00 O ATOM 1023 CB ASP A 66 -6.962 -9.248 -2.176 1.00 0.00 C ATOM 1024 CG ASP A 66 -7.053 -10.160 -0.959 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.172 -10.968 -0.779 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -8.002 -10.040 -0.222 1.00 0.00 O ATOM 0 H ASP A 66 -6.070 -11.869 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.978 -9.078 -4.081 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.638 -8.257 -1.858 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.954 -9.134 -2.613 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.048 -8.735 -2.249 1.00 0.00 N ATOM 1032 CA GLN A 67 -2.665 -8.671 -1.792 1.00 0.00 C ATOM 1033 C GLN A 67 -2.507 -9.320 -0.423 1.00 0.00 C ATOM 1034 O GLN A 67 -1.403 -9.693 -0.027 1.00 0.00 O ATOM 1035 CB GLN A 67 -2.185 -7.218 -1.740 1.00 0.00 C ATOM 1036 CG GLN A 67 -2.784 -6.404 -0.606 1.00 0.00 C ATOM 1037 CD GLN A 67 -4.058 -5.689 -1.017 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -4.836 -6.196 -1.829 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -4.278 -4.505 -0.457 1.00 0.00 N ATOM 0 H GLN A 67 -4.543 -7.844 -2.221 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.053 -9.223 -2.505 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -1.099 -7.209 -1.644 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.426 -6.734 -2.686 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.996 -7.062 0.237 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.054 -5.671 -0.263 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.607 -4.124 0.210 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.118 -3.977 -0.694 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.616 -9.451 0.296 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.613 -10.109 1.597 1.00 0.00 C ATOM 1050 C GLU A 68 -3.429 -11.614 1.453 1.00 0.00 C ATOM 1051 O GLU A 68 -2.680 -12.233 2.208 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.914 -9.813 2.348 1.00 0.00 C ATOM 1053 CG GLU A 68 -4.998 -10.442 3.731 1.00 0.00 C ATOM 1054 CD GLU A 68 -3.941 -9.931 4.671 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -3.503 -8.820 4.494 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -3.573 -10.653 5.568 1.00 0.00 O ATOM 0 H GLU A 68 -4.530 -9.110 -0.001 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.773 -9.714 2.168 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.025 -8.733 2.446 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -5.753 -10.167 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.982 -10.243 4.156 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -4.903 -11.524 3.639 1.00 0.00 H new ATOM 1063 N THR A 69 -4.118 -12.198 0.479 1.00 0.00 N ATOM 1064 CA THR A 69 -3.964 -13.616 0.175 1.00 0.00 C ATOM 1065 C THR A 69 -2.631 -13.891 -0.509 1.00 0.00 C ATOM 1066 O THR A 69 -2.059 -14.971 -0.364 1.00 0.00 O ATOM 1067 CB THR A 69 -5.115 -14.120 -0.715 1.00 0.00 C ATOM 1068 OG1 THR A 69 -5.206 -13.306 -1.891 1.00 0.00 O ATOM 1069 CG2 THR A 69 -6.435 -14.066 0.038 1.00 0.00 C ATOM 0 H THR A 69 -4.789 -11.711 -0.114 1.00 0.00 H new ATOM 0 HA THR A 69 -3.989 -14.154 1.123 1.00 0.00 H new ATOM 0 HB THR A 69 -4.911 -15.153 -0.995 1.00 0.00 H new ATOM 0 HG1 THR A 69 -5.515 -12.409 -1.645 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.237 -14.426 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.373 -14.695 0.926 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.642 -13.038 0.335 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.140 -12.906 -1.254 1.00 0.00 N ATOM 1078 CA ALA A 70 -0.815 -12.990 -1.857 1.00 0.00 C ATOM 1079 C ALA A 70 0.274 -13.018 -0.793 1.00 0.00 C ATOM 1080 O ALA A 70 1.187 -13.843 -0.846 1.00 0.00 O ATOM 1081 CB ALA A 70 -0.592 -11.825 -2.811 1.00 0.00 C ATOM 0 H ALA A 70 -2.640 -12.040 -1.455 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.761 -13.922 -2.419 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.401 -11.902 -3.253 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.343 -11.852 -3.600 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.674 -10.886 -2.264 1.00 0.00 H new ATOM 1087 N LEU A 71 0.174 -12.112 0.174 1.00 0.00 N ATOM 1088 CA LEU A 71 1.142 -12.041 1.261 1.00 0.00 C ATOM 1089 C LEU A 71 0.987 -13.218 2.215 1.00 0.00 C ATOM 1090 O LEU A 71 1.969 -13.715 2.768 1.00 0.00 O ATOM 1091 CB LEU A 71 0.978 -10.725 2.032 1.00 0.00 C ATOM 1092 CG LEU A 71 1.398 -9.456 1.279 1.00 0.00 C ATOM 1093 CD1 LEU A 71 1.013 -8.230 2.096 1.00 0.00 C ATOM 1094 CD2 LEU A 71 2.896 -9.492 1.019 1.00 0.00 C ATOM 0 H LEU A 71 -0.569 -11.416 0.226 1.00 0.00 H new ATOM 0 HA LEU A 71 2.139 -12.083 0.823 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -0.068 -10.624 2.323 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.560 -10.789 2.952 1.00 0.00 H new ATOM 0 HG LEU A 71 0.884 -9.405 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.311 -7.328 1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.066 -8.220 2.251 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.518 -8.263 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.194 -8.590 0.484 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.429 -9.544 1.968 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.140 -10.368 0.418 1.00 0.00 H new ATOM 1106 N SER A 72 -0.251 -13.661 2.405 1.00 0.00 N ATOM 1107 CA SER A 72 -0.528 -14.835 3.223 1.00 0.00 C ATOM 1108 C SER A 72 0.185 -16.066 2.678 1.00 0.00 C ATOM 1109 O SER A 72 0.757 -16.850 3.436 1.00 0.00 O ATOM 1110 CB SER A 72 -2.022 -15.090 3.281 1.00 0.00 C ATOM 1111 OG SER A 72 -2.678 -14.070 3.982 1.00 0.00 O ATOM 0 H SER A 72 -1.080 -13.223 2.003 1.00 0.00 H new ATOM 0 HA SER A 72 -0.155 -14.640 4.228 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.423 -15.157 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.213 -16.049 3.764 1.00 0.00 H new ATOM 0 HG SER A 72 -2.641 -13.240 3.463 1.00 0.00 H new ATOM 1117 N ALA A 73 0.148 -16.231 1.360 1.00 0.00 N ATOM 1118 CA ALA A 73 0.915 -17.279 0.697 1.00 0.00 C ATOM 1119 C ALA A 73 2.407 -17.116 0.955 1.00 0.00 C ATOM 1120 O ALA A 73 3.101 -18.081 1.274 1.00 0.00 O ATOM 1121 CB ALA A 73 0.633 -17.276 -0.798 1.00 0.00 C ATOM 0 H ALA A 73 -0.406 -15.651 0.729 1.00 0.00 H new ATOM 0 HA ALA A 73 0.604 -18.238 1.112 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.213 -18.064 -1.279 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.429 -17.452 -0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.913 -16.310 -1.219 1.00 0.00 H new ATOM 1127 N MET A 74 2.896 -15.888 0.815 1.00 0.00 N ATOM 1128 CA MET A 74 4.302 -15.591 1.061 1.00 0.00 C ATOM 1129 C MET A 74 4.693 -15.924 2.495 1.00 0.00 C ATOM 1130 O MET A 74 5.784 -16.435 2.749 1.00 0.00 O ATOM 1131 CB MET A 74 4.592 -14.122 0.758 1.00 0.00 C ATOM 1132 CG MET A 74 6.030 -13.697 1.016 1.00 0.00 C ATOM 1133 SD MET A 74 6.327 -13.259 2.740 1.00 0.00 S ATOM 1134 CE MET A 74 5.405 -11.729 2.864 1.00 0.00 C ATOM 0 H MET A 74 2.338 -15.082 0.532 1.00 0.00 H new ATOM 0 HA MET A 74 4.901 -16.214 0.397 1.00 0.00 H new ATOM 0 HB2 MET A 74 4.350 -13.925 -0.286 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.929 -13.502 1.361 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.701 -14.507 0.730 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.272 -12.844 0.382 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.633 -11.243 3.812 1.00 0.00 H new ATOM 0 HE2 MET A 74 5.683 -11.069 2.042 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.337 -11.942 2.813 1.00 0.00 H new ATOM 1144 N ARG A 75 3.795 -15.632 3.431 1.00 0.00 N ATOM 1145 CA ARG A 75 4.095 -15.774 4.850 1.00 0.00 C ATOM 1146 C ARG A 75 3.942 -17.220 5.304 1.00 0.00 C ATOM 1147 O ARG A 75 4.639 -17.673 6.212 1.00 0.00 O ATOM 1148 CB ARG A 75 3.181 -14.886 5.682 1.00 0.00 C ATOM 1149 CG ARG A 75 3.446 -13.394 5.550 1.00 0.00 C ATOM 1150 CD ARG A 75 2.461 -12.591 6.318 1.00 0.00 C ATOM 1151 NE ARG A 75 1.126 -12.683 5.750 1.00 0.00 N ATOM 1152 CZ ARG A 75 0.073 -11.941 6.146 1.00 0.00 C ATOM 1153 NH1 ARG A 75 0.216 -11.059 7.110 1.00 0.00 N ATOM 1154 NH2 ARG A 75 -1.103 -12.100 5.565 1.00 0.00 N ATOM 0 H ARG A 75 2.853 -15.295 3.231 1.00 0.00 H new ATOM 0 HA ARG A 75 5.131 -15.468 4.997 1.00 0.00 H new ATOM 0 HB2 ARG A 75 2.148 -15.084 5.396 1.00 0.00 H new ATOM 0 HB3 ARG A 75 3.281 -15.167 6.730 1.00 0.00 H new ATOM 0 HG2 ARG A 75 4.452 -13.171 5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 75 3.407 -13.109 4.499 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.440 -12.935 7.352 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.777 -11.548 6.335 1.00 0.00 H new ATOM 0 HE ARG A 75 0.976 -13.357 4.999 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.124 -10.936 7.558 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -0.581 -10.497 7.410 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.214 -12.784 4.817 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -1.900 -11.538 5.865 1.00 0.00 H new ATOM 1168 N ASN A 76 3.025 -17.941 4.666 1.00 0.00 N ATOM 1169 CA ASN A 76 2.655 -19.278 5.114 1.00 0.00 C ATOM 1170 C ASN A 76 3.391 -20.349 4.320 1.00 0.00 C ATOM 1171 O ASN A 76 4.003 -21.250 4.894 1.00 0.00 O ATOM 1172 CB ASN A 76 1.153 -19.477 5.015 1.00 0.00 C ATOM 1173 CG ASN A 76 0.395 -18.675 6.036 1.00 0.00 C ATOM 1174 OD1 ASN A 76 0.945 -18.290 7.074 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.857 -18.414 5.760 1.00 0.00 N ATOM 0 H ASN A 76 2.525 -17.621 3.837 1.00 0.00 H new ATOM 0 HA ASN A 76 2.950 -19.375 6.159 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.818 -19.196 4.016 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.921 -20.534 5.144 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -1.421 -17.872 6.414 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.269 -18.753 4.890 1.00 0.00 H new ATOM 1182 N LEU A 77 3.328 -20.246 2.997 1.00 0.00 N ATOM 1183 CA LEU A 77 3.755 -21.332 2.123 1.00 0.00 C ATOM 1184 C LEU A 77 5.267 -21.326 1.935 1.00 0.00 C ATOM 1185 O LEU A 77 5.867 -22.353 1.619 1.00 0.00 O ATOM 1186 CB LEU A 77 3.063 -21.216 0.759 1.00 0.00 C ATOM 1187 CG LEU A 77 1.538 -21.379 0.770 1.00 0.00 C ATOM 1188 CD1 LEU A 77 0.987 -21.104 -0.622 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.181 -22.784 1.231 1.00 0.00 C ATOM 0 H LEU A 77 2.985 -19.420 2.506 1.00 0.00 H new ATOM 0 HA LEU A 77 3.472 -22.273 2.595 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.303 -20.242 0.332 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.485 -21.968 0.093 1.00 0.00 H new ATOM 0 HG LEU A 77 1.092 -20.666 1.463 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.097 -21.220 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 77 1.241 -20.087 -0.919 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.422 -21.808 -1.331 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.097 -22.900 1.239 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.619 -23.513 0.549 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.571 -22.947 2.236 1.00 0.00 H new ATOM 1201 N ASN A 78 5.878 -20.162 2.131 1.00 0.00 N ATOM 1202 CA ASN A 78 7.317 -20.013 1.953 1.00 0.00 C ATOM 1203 C ASN A 78 8.086 -20.772 3.027 1.00 0.00 C ATOM 1204 O ASN A 78 8.106 -20.371 4.191 1.00 0.00 O ATOM 1205 CB ASN A 78 7.706 -18.546 1.954 1.00 0.00 C ATOM 1206 CG ASN A 78 9.164 -18.335 1.649 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.033 -19.003 2.221 1.00 0.00 O ATOM 1208 ND2 ASN A 78 9.447 -17.419 0.759 1.00 0.00 N ATOM 0 H ASN A 78 5.398 -19.308 2.413 1.00 0.00 H new ATOM 0 HA ASN A 78 7.581 -20.441 0.986 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.104 -18.014 1.218 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.476 -18.113 2.928 1.00 0.00 H new ATOM 0 HD21 ASN A 78 10.419 -17.231 0.511 1.00 0.00 H new ATOM 0 HD22 ASN A 78 8.696 -16.892 0.313 1.00 0.00 H new ATOM 1215 N GLY A 79 8.718 -21.871 2.630 1.00 0.00 N ATOM 1216 CA GLY A 79 9.451 -22.715 3.567 1.00 0.00 C ATOM 1217 C GLY A 79 8.668 -23.978 3.899 1.00 0.00 C ATOM 1218 O GLY A 79 9.177 -24.879 4.566 1.00 0.00 O ATOM 0 H GLY A 79 8.738 -22.199 1.664 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.417 -22.985 3.139 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.652 -22.158 4.482 1.00 0.00 H new ATOM 1222 N ARG A 80 7.426 -24.040 3.429 1.00 0.00 N ATOM 1223 CA ARG A 80 6.579 -25.204 3.654 1.00 0.00 C ATOM 1224 C ARG A 80 6.958 -26.349 2.723 1.00 0.00 C ATOM 1225 O ARG A 80 6.921 -26.207 1.501 1.00 0.00 O ATOM 1226 CB ARG A 80 5.114 -24.849 3.445 1.00 0.00 C ATOM 1227 CG ARG A 80 4.140 -25.994 3.669 1.00 0.00 C ATOM 1228 CD ARG A 80 2.731 -25.563 3.475 1.00 0.00 C ATOM 1229 NE ARG A 80 1.806 -26.682 3.558 1.00 0.00 N ATOM 1230 CZ ARG A 80 0.474 -26.587 3.378 1.00 0.00 C ATOM 1231 NH1 ARG A 80 -0.072 -25.423 3.106 1.00 0.00 N ATOM 1232 NH2 ARG A 80 -0.284 -27.666 3.475 1.00 0.00 N ATOM 0 H ARG A 80 6.984 -23.296 2.889 1.00 0.00 H new ATOM 0 HA ARG A 80 6.730 -25.524 4.685 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.853 -24.033 4.118 1.00 0.00 H new ATOM 0 HB3 ARG A 80 4.987 -24.477 2.428 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.370 -26.807 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.265 -26.386 4.678 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.471 -24.820 4.229 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.630 -25.079 2.503 1.00 0.00 H new ATOM 0 HE ARG A 80 2.192 -27.603 3.767 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.513 -24.591 3.031 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -1.080 -25.352 2.970 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.140 -28.570 3.686 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.292 -27.595 3.339 1.00 0.00 H new ATOM 1246 N GLU A 81 7.322 -27.485 3.309 1.00 0.00 N ATOM 1247 CA GLU A 81 7.681 -28.666 2.533 1.00 0.00 C ATOM 1248 C GLU A 81 6.577 -29.038 1.552 1.00 0.00 C ATOM 1249 O GLU A 81 5.441 -29.296 1.950 1.00 0.00 O ATOM 1250 CB GLU A 81 7.971 -29.847 3.462 1.00 0.00 C ATOM 1251 CG GLU A 81 8.427 -31.111 2.748 1.00 0.00 C ATOM 1252 CD GLU A 81 8.707 -32.248 3.692 1.00 0.00 C ATOM 1253 OE1 GLU A 81 8.599 -32.050 4.878 1.00 0.00 O ATOM 1254 OE2 GLU A 81 9.028 -33.315 3.226 1.00 0.00 O ATOM 0 H GLU A 81 7.376 -27.612 4.320 1.00 0.00 H new ATOM 0 HA GLU A 81 8.580 -28.429 1.964 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.739 -29.551 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.072 -30.072 4.035 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.660 -31.417 2.036 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.327 -30.893 2.173 1.00 0.00 H new ATOM 1261 N PHE A 82 6.917 -29.064 0.268 1.00 0.00 N ATOM 1262 CA PHE A 82 5.966 -29.445 -0.770 1.00 0.00 C ATOM 1263 C PHE A 82 6.456 -30.660 -1.547 1.00 0.00 C ATOM 1264 O PHE A 82 7.334 -30.549 -2.402 1.00 0.00 O ATOM 1265 CB PHE A 82 5.729 -28.280 -1.732 1.00 0.00 C ATOM 1266 CG PHE A 82 4.703 -28.568 -2.791 1.00 0.00 C ATOM 1267 CD1 PHE A 82 3.393 -28.862 -2.447 1.00 0.00 C ATOM 1268 CD2 PHE A 82 5.047 -28.545 -4.134 1.00 0.00 C ATOM 1269 CE1 PHE A 82 2.449 -29.128 -3.421 1.00 0.00 C ATOM 1270 CE2 PHE A 82 4.106 -28.808 -5.110 1.00 0.00 C ATOM 1271 CZ PHE A 82 2.805 -29.101 -4.752 1.00 0.00 C ATOM 0 H PHE A 82 7.846 -28.825 -0.079 1.00 0.00 H new ATOM 0 HA PHE A 82 5.027 -29.703 -0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 82 5.413 -27.407 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.672 -28.021 -2.214 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.106 -28.884 -1.406 1.00 0.00 H new ATOM 0 HD2 PHE A 82 6.063 -28.319 -4.420 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.432 -29.357 -3.139 1.00 0.00 H new ATOM 0 HE2 PHE A 82 4.387 -28.785 -6.152 1.00 0.00 H new ATOM 0 HZ PHE A 82 2.068 -29.309 -5.514 1.00 0.00 H new ATOM 1281 N SER A 83 5.882 -31.820 -1.244 1.00 0.00 N ATOM 1282 CA SER A 83 6.303 -33.068 -1.869 1.00 0.00 C ATOM 1283 C SER A 83 7.797 -33.301 -1.683 1.00 0.00 C ATOM 1284 O SER A 83 8.468 -33.829 -2.569 1.00 0.00 O ATOM 1285 CB SER A 83 5.965 -33.053 -3.347 1.00 0.00 C ATOM 1286 OG SER A 83 4.584 -32.924 -3.545 1.00 0.00 O ATOM 0 H SER A 83 5.124 -31.921 -0.569 1.00 0.00 H new ATOM 0 HA SER A 83 5.767 -33.884 -1.384 1.00 0.00 H new ATOM 0 HB2 SER A 83 6.484 -32.228 -3.834 1.00 0.00 H new ATOM 0 HB3 SER A 83 6.319 -33.972 -3.814 1.00 0.00 H new ATOM 0 HG SER A 83 4.391 -32.915 -4.506 1.00 0.00 H new ATOM 1292 N GLY A 84 8.313 -32.904 -0.524 1.00 0.00 N ATOM 1293 CA GLY A 84 9.702 -33.171 -0.172 1.00 0.00 C ATOM 1294 C GLY A 84 10.561 -31.923 -0.329 1.00 0.00 C ATOM 1295 O GLY A 84 11.611 -31.797 0.299 1.00 0.00 O ATOM 0 H GLY A 84 7.789 -32.396 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 84 9.757 -33.526 0.857 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.094 -33.967 -0.805 1.00 0.00 H new ATOM 1299 N ARG A 85 10.107 -31.001 -1.172 1.00 0.00 N ATOM 1300 CA ARG A 85 10.882 -29.809 -1.494 1.00 0.00 C ATOM 1301 C ARG A 85 10.238 -28.559 -0.910 1.00 0.00 C ATOM 1302 O ARG A 85 9.096 -28.229 -1.232 1.00 0.00 O ATOM 1303 CB ARG A 85 11.018 -29.649 -3.001 1.00 0.00 C ATOM 1304 CG ARG A 85 11.839 -28.449 -3.445 1.00 0.00 C ATOM 1305 CD ARG A 85 12.045 -28.439 -4.916 1.00 0.00 C ATOM 1306 NE ARG A 85 12.901 -29.530 -5.352 1.00 0.00 N ATOM 1307 CZ ARG A 85 13.163 -29.830 -6.639 1.00 0.00 C ATOM 1308 NH1 ARG A 85 12.628 -29.114 -7.603 1.00 0.00 N ATOM 1309 NH2 ARG A 85 13.956 -30.845 -6.933 1.00 0.00 N ATOM 0 H ARG A 85 9.205 -31.057 -1.645 1.00 0.00 H new ATOM 0 HA ARG A 85 11.871 -29.933 -1.053 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.472 -30.552 -3.408 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.021 -29.570 -3.435 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.335 -27.531 -3.142 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.806 -28.463 -2.942 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.080 -28.512 -5.418 1.00 0.00 H new ATOM 0 HD3 ARG A 85 12.488 -27.489 -5.214 1.00 0.00 H new ATOM 0 HE ARG A 85 13.334 -30.109 -4.633 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.014 -28.331 -7.377 1.00 0.00 H new ATOM 0 HH12 ARG A 85 12.826 -29.341 -8.577 1.00 0.00 H new ATOM 0 HH21 ARG A 85 14.370 -31.402 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.154 -31.072 -7.908 1.00 0.00 H new ATOM 1323 N ALA A 86 10.976 -27.866 -0.049 1.00 0.00 N ATOM 1324 CA ALA A 86 10.486 -26.637 0.564 1.00 0.00 C ATOM 1325 C ALA A 86 10.117 -25.603 -0.493 1.00 0.00 C ATOM 1326 O ALA A 86 10.977 -25.117 -1.227 1.00 0.00 O ATOM 1327 CB ALA A 86 11.528 -26.069 1.517 1.00 0.00 C ATOM 0 H ALA A 86 11.916 -28.135 0.240 1.00 0.00 H new ATOM 0 HA ALA A 86 9.585 -26.879 1.128 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.148 -25.152 1.967 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.740 -26.797 2.300 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.444 -25.851 0.967 1.00 0.00 H new ATOM 1333 N LEU A 87 8.832 -25.271 -0.564 1.00 0.00 N ATOM 1334 CA LEU A 87 8.328 -24.381 -1.603 1.00 0.00 C ATOM 1335 C LEU A 87 8.726 -22.936 -1.332 1.00 0.00 C ATOM 1336 O LEU A 87 8.634 -22.459 -0.201 1.00 0.00 O ATOM 1337 CB LEU A 87 6.800 -24.488 -1.697 1.00 0.00 C ATOM 1338 CG LEU A 87 6.156 -23.779 -2.895 1.00 0.00 C ATOM 1339 CD1 LEU A 87 6.542 -24.499 -4.179 1.00 0.00 C ATOM 1340 CD2 LEU A 87 4.645 -23.751 -2.716 1.00 0.00 C ATOM 0 H LEU A 87 8.121 -25.605 0.086 1.00 0.00 H new ATOM 0 HA LEU A 87 8.772 -24.688 -2.550 1.00 0.00 H new ATOM 0 HB2 LEU A 87 6.530 -25.543 -1.735 1.00 0.00 H new ATOM 0 HB3 LEU A 87 6.369 -24.081 -0.782 1.00 0.00 H new ATOM 0 HG LEU A 87 6.514 -22.751 -2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 87 6.084 -23.995 -5.030 1.00 0.00 H new ATOM 0 HD12 LEU A 87 7.626 -24.488 -4.291 1.00 0.00 H new ATOM 0 HD13 LEU A 87 6.192 -25.531 -4.137 1.00 0.00 H new ATOM 0 HD21 LEU A 87 4.187 -23.247 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 87 4.267 -24.771 -2.652 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.397 -23.214 -1.800 1.00 0.00 H new ATOM 1352 N ARG A 88 9.170 -22.245 -2.376 1.00 0.00 N ATOM 1353 CA ARG A 88 9.464 -20.820 -2.281 1.00 0.00 C ATOM 1354 C ARG A 88 8.300 -19.982 -2.796 1.00 0.00 C ATOM 1355 O ARG A 88 7.883 -20.120 -3.945 1.00 0.00 O ATOM 1356 CB ARG A 88 10.719 -20.478 -3.072 1.00 0.00 C ATOM 1357 CG ARG A 88 11.083 -19.002 -3.087 1.00 0.00 C ATOM 1358 CD ARG A 88 12.224 -18.728 -3.998 1.00 0.00 C ATOM 1359 NE ARG A 88 12.480 -17.303 -4.131 1.00 0.00 N ATOM 1360 CZ ARG A 88 13.299 -16.756 -5.051 1.00 0.00 C ATOM 1361 NH1 ARG A 88 13.932 -17.525 -5.908 1.00 0.00 N ATOM 1362 NH2 ARG A 88 13.466 -15.445 -5.091 1.00 0.00 N ATOM 0 H ARG A 88 9.334 -22.649 -3.298 1.00 0.00 H new ATOM 0 HA ARG A 88 9.625 -20.589 -1.228 1.00 0.00 H new ATOM 0 HB2 ARG A 88 11.556 -21.040 -2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 88 10.586 -20.815 -4.100 1.00 0.00 H new ATOM 0 HG2 ARG A 88 10.218 -18.417 -3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 88 11.337 -18.679 -2.077 1.00 0.00 H new ATOM 0 HD2 ARG A 88 13.118 -19.224 -3.620 1.00 0.00 H new ATOM 0 HD3 ARG A 88 12.015 -19.153 -4.980 1.00 0.00 H new ATOM 0 HE ARG A 88 12.007 -16.673 -3.483 1.00 0.00 H new ATOM 0 HH11 ARG A 88 13.804 -18.536 -5.877 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.552 -17.111 -6.604 1.00 0.00 H new ATOM 0 HH21 ARG A 88 12.975 -14.848 -4.426 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.086 -15.031 -5.787 1.00 0.00 H new ATOM 1376 N VAL A 89 7.779 -19.112 -1.937 1.00 0.00 N ATOM 1377 CA VAL A 89 6.701 -18.209 -2.321 1.00 0.00 C ATOM 1378 C VAL A 89 7.022 -16.771 -1.931 1.00 0.00 C ATOM 1379 O VAL A 89 7.078 -16.437 -0.747 1.00 0.00 O ATOM 1380 CB VAL A 89 5.381 -18.637 -1.652 1.00 0.00 C ATOM 1381 CG1 VAL A 89 4.253 -17.697 -2.050 1.00 0.00 C ATOM 1382 CG2 VAL A 89 5.049 -20.071 -2.033 1.00 0.00 C ATOM 0 H VAL A 89 8.087 -19.013 -0.969 1.00 0.00 H new ATOM 0 HA VAL A 89 6.595 -18.261 -3.405 1.00 0.00 H new ATOM 0 HB VAL A 89 5.499 -18.583 -0.570 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.328 -18.014 -1.568 1.00 0.00 H new ATOM 0 HG12 VAL A 89 4.497 -16.682 -1.735 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.125 -17.720 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.114 -20.367 -1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 89 4.944 -20.145 -3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 89 5.851 -20.731 -1.701 1.00 0.00 H new ATOM 1392 N ASP A 90 7.231 -15.925 -2.933 1.00 0.00 N ATOM 1393 CA ASP A 90 7.570 -14.526 -2.696 1.00 0.00 C ATOM 1394 C ASP A 90 6.815 -13.608 -3.649 1.00 0.00 C ATOM 1395 O ASP A 90 6.697 -13.896 -4.840 1.00 0.00 O ATOM 1396 CB ASP A 90 9.076 -14.305 -2.852 1.00 0.00 C ATOM 1397 CG ASP A 90 9.893 -15.021 -1.784 1.00 0.00 C ATOM 1398 OD1 ASP A 90 9.740 -14.696 -0.630 1.00 0.00 O ATOM 1399 OD2 ASP A 90 10.662 -15.884 -2.133 1.00 0.00 O ATOM 0 H ASP A 90 7.172 -16.183 -3.918 1.00 0.00 H new ATOM 0 HA ASP A 90 7.276 -14.283 -1.675 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.389 -14.653 -3.836 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.288 -13.237 -2.809 1.00 0.00 H new ATOM 1404 N ASN A 91 6.306 -12.502 -3.117 1.00 0.00 N ATOM 1405 CA ASN A 91 5.501 -11.574 -3.904 1.00 0.00 C ATOM 1406 C ASN A 91 6.295 -11.015 -5.077 1.00 0.00 C ATOM 1407 O ASN A 91 7.405 -10.511 -4.905 1.00 0.00 O ATOM 1408 CB ASN A 91 4.976 -10.450 -3.030 1.00 0.00 C ATOM 1409 CG ASN A 91 3.920 -9.629 -3.717 1.00 0.00 C ATOM 1410 OD1 ASN A 91 4.113 -9.168 -4.848 1.00 0.00 O ATOM 1411 ND2 ASN A 91 2.807 -9.438 -3.055 1.00 0.00 N ATOM 0 H ASN A 91 6.436 -12.226 -2.144 1.00 0.00 H new ATOM 0 HA ASN A 91 4.651 -12.125 -4.307 1.00 0.00 H new ATOM 0 HB2 ASN A 91 4.565 -10.870 -2.112 1.00 0.00 H new ATOM 0 HB3 ASN A 91 5.804 -9.802 -2.741 1.00 0.00 H new ATOM 0 HD21 ASN A 91 2.054 -8.889 -3.470 1.00 0.00 H new ATOM 0 HD22 ASN A 91 2.692 -9.838 -2.124 1.00 0.00 H new ATOM 1418 N ALA A 92 5.720 -11.107 -6.272 1.00 0.00 N ATOM 1419 CA ALA A 92 6.445 -10.796 -7.497 1.00 0.00 C ATOM 1420 C ALA A 92 6.531 -9.292 -7.721 1.00 0.00 C ATOM 1421 O ALA A 92 7.105 -8.833 -8.708 1.00 0.00 O ATOM 1422 CB ALA A 92 5.784 -11.471 -8.690 1.00 0.00 C ATOM 0 H ALA A 92 4.752 -11.395 -6.417 1.00 0.00 H new ATOM 0 HA ALA A 92 7.460 -11.179 -7.392 1.00 0.00 H new ATOM 0 HB1 ALA A 92 6.337 -11.229 -9.598 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.783 -12.551 -8.543 1.00 0.00 H new ATOM 0 HB3 ALA A 92 4.758 -11.117 -8.786 1.00 0.00 H new ATOM 1428 N ALA A 93 5.955 -8.528 -6.798 1.00 0.00 N ATOM 1429 CA ALA A 93 6.070 -7.075 -6.826 1.00 0.00 C ATOM 1430 C ALA A 93 7.516 -6.633 -6.643 1.00 0.00 C ATOM 1431 O ALA A 93 7.904 -5.549 -7.078 1.00 0.00 O ATOM 1432 CB ALA A 93 5.187 -6.453 -5.754 1.00 0.00 C ATOM 0 H ALA A 93 5.404 -8.892 -6.021 1.00 0.00 H new ATOM 0 HA ALA A 93 5.734 -6.730 -7.804 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.284 -5.368 -5.787 1.00 0.00 H new ATOM 0 HB2 ALA A 93 4.148 -6.730 -5.932 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.496 -6.815 -4.773 1.00 0.00 H new