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 Set 1.1: A 62 CYS SG : rot -104:sc= 1.91 USER MOD Set 1.2: A 64 TYR OH : rot -63:sc=-0.00565 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -118:sc= 0.778 USER MOD Single : A 22 ASN : amide:sc= 1.23 K(o=1.2,f=-1) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0591 USER MOD Single : A 31 GLN : amide:sc= 0.379 K(o=0.38,f=-6!) USER MOD Single : A 33 LYS NZ :NH3+ 169:sc= 1.14 (180deg=1.04) USER MOD Single : A 37 SER OG : rot -80:sc= 1.29 USER MOD Single : A 44 SER OG : rot -104:sc= 1.07 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 TYR OH : rot 120:sc= 0.0918 USER MOD Single : A 65 GLN : amide:sc=-0.00481 K(o=-0.0048,f=-0.82) USER MOD Single : A 67 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 69 THR OG1 : rot -18:sc= 1.1 USER MOD Single : A 72 SER OG : rot 82:sc= 1.04 USER MOD Single : A 74 MET CE :methyl 159:sc= -0.112 (180deg=-0.591) USER MOD Single : A 76 ASN : amide:sc= -0.0639 K(o=-0.064,f=-1.5!) USER MOD Single : A 78 ASN : amide:sc= -0.391 K(o=-0.39,f=-4.4!) USER MOD Single : A 83 SER OG : rot -139:sc= 1.25 USER MOD Single : A 91 ASN : amide:sc= -0.118 K(o=-0.12,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 160 N ASP A 12 -1.199 -4.634 -10.930 1.00 0.00 N ATOM 161 CA ASP A 12 -2.039 -5.144 -9.853 1.00 0.00 C ATOM 162 C ASP A 12 -2.011 -6.666 -9.806 1.00 0.00 C ATOM 163 O ASP A 12 -2.073 -7.265 -8.732 1.00 0.00 O ATOM 164 CB ASP A 12 -3.481 -4.659 -10.022 1.00 0.00 C ATOM 165 CG ASP A 12 -3.650 -3.179 -9.707 1.00 0.00 C ATOM 166 OD1 ASP A 12 -2.766 -2.615 -9.107 1.00 0.00 O ATOM 167 OD2 ASP A 12 -4.660 -2.626 -10.071 1.00 0.00 O ATOM 0 HA ASP A 12 -1.640 -4.762 -8.913 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.804 -4.846 -11.046 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -4.133 -5.241 -9.370 1.00 0.00 H new ATOM 172 N ARG A 13 -1.917 -7.287 -10.977 1.00 0.00 N ATOM 173 CA ARG A 13 -1.857 -8.741 -11.070 1.00 0.00 C ATOM 174 C ARG A 13 -0.561 -9.279 -10.478 1.00 0.00 C ATOM 175 O ARG A 13 -0.535 -10.363 -9.897 1.00 0.00 O ATOM 176 CB ARG A 13 -1.974 -9.190 -12.519 1.00 0.00 C ATOM 177 CG ARG A 13 -3.331 -8.941 -13.158 1.00 0.00 C ATOM 178 CD ARG A 13 -3.443 -9.600 -14.485 1.00 0.00 C ATOM 179 NE ARG A 13 -3.567 -11.043 -14.365 1.00 0.00 N ATOM 180 CZ ARG A 13 -3.432 -11.911 -15.387 1.00 0.00 C ATOM 181 NH1 ARG A 13 -3.169 -11.466 -16.596 1.00 0.00 N ATOM 182 NH2 ARG A 13 -3.563 -13.208 -15.175 1.00 0.00 N ATOM 0 H ARG A 13 -1.881 -6.806 -11.875 1.00 0.00 H new ATOM 0 HA ARG A 13 -2.695 -9.140 -10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.212 -8.677 -13.106 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.753 -10.256 -12.573 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.117 -9.312 -12.500 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.489 -7.868 -13.270 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -4.309 -9.204 -15.015 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.565 -9.360 -15.085 1.00 0.00 H new ATOM 0 HE ARG A 13 -3.771 -11.426 -13.442 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -3.067 -10.464 -16.760 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.067 -12.122 -17.370 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.767 -13.553 -14.237 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -3.461 -13.864 -15.949 1.00 0.00 H new ATOM 196 N SER A 14 0.515 -8.514 -10.630 1.00 0.00 N ATOM 197 CA SER A 14 1.804 -8.882 -10.057 1.00 0.00 C ATOM 198 C SER A 14 1.846 -8.588 -8.563 1.00 0.00 C ATOM 199 O SER A 14 2.600 -9.214 -7.818 1.00 0.00 O ATOM 200 CB SER A 14 2.920 -8.135 -10.760 1.00 0.00 C ATOM 201 OG SER A 14 2.882 -6.768 -10.453 1.00 0.00 O ATOM 0 H SER A 14 0.519 -7.634 -11.146 1.00 0.00 H new ATOM 0 HA SER A 14 1.942 -9.954 -10.199 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.883 -8.551 -10.464 1.00 0.00 H new ATOM 0 HB3 SER A 14 2.831 -8.272 -11.838 1.00 0.00 H new ATOM 0 HG SER A 14 3.613 -6.308 -10.917 1.00 0.00 H new ATOM 207 N LEU A 15 1.033 -7.631 -8.130 1.00 0.00 N ATOM 208 CA LEU A 15 0.923 -7.301 -6.714 1.00 0.00 C ATOM 209 C LEU A 15 0.086 -8.334 -5.971 1.00 0.00 C ATOM 210 O LEU A 15 0.315 -8.601 -4.791 1.00 0.00 O ATOM 211 CB LEU A 15 0.302 -5.909 -6.540 1.00 0.00 C ATOM 212 CG LEU A 15 1.178 -4.730 -6.982 1.00 0.00 C ATOM 213 CD1 LEU A 15 0.366 -3.443 -6.922 1.00 0.00 C ATOM 214 CD2 LEU A 15 2.405 -4.645 -6.086 1.00 0.00 C ATOM 0 H LEU A 15 0.440 -7.069 -8.740 1.00 0.00 H new ATOM 0 HA LEU A 15 1.928 -7.304 -6.291 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.631 -5.875 -7.102 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.047 -5.774 -5.489 1.00 0.00 H new ATOM 0 HG LEU A 15 1.512 -4.878 -8.009 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.988 -2.605 -7.236 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.495 -3.525 -7.586 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.022 -3.277 -5.901 1.00 0.00 H new ATOM 0 HD21 LEU A 15 3.028 -3.807 -6.400 1.00 0.00 H new ATOM 0 HD22 LEU A 15 2.091 -4.497 -5.053 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.976 -5.570 -6.163 1.00 0.00 H new ATOM 226 N ARG A 16 -0.887 -8.912 -6.668 1.00 0.00 N ATOM 227 CA ARG A 16 -1.774 -9.901 -6.069 1.00 0.00 C ATOM 228 C ARG A 16 -1.350 -11.317 -6.438 1.00 0.00 C ATOM 229 O ARG A 16 -2.185 -12.214 -6.559 1.00 0.00 O ATOM 230 CB ARG A 16 -3.210 -9.673 -6.517 1.00 0.00 C ATOM 231 CG ARG A 16 -3.512 -10.106 -7.942 1.00 0.00 C ATOM 232 CD ARG A 16 -4.859 -9.657 -8.379 1.00 0.00 C ATOM 233 NE ARG A 16 -5.184 -10.134 -9.714 1.00 0.00 N ATOM 234 CZ ARG A 16 -6.208 -9.679 -10.461 1.00 0.00 C ATOM 235 NH1 ARG A 16 -6.996 -8.737 -9.992 1.00 0.00 N ATOM 236 NH2 ARG A 16 -6.421 -10.179 -11.666 1.00 0.00 N ATOM 0 H ARG A 16 -1.081 -8.712 -7.649 1.00 0.00 H new ATOM 0 HA ARG A 16 -1.709 -9.786 -4.987 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -3.876 -10.210 -5.841 1.00 0.00 H new ATOM 0 HB3 ARG A 16 -3.442 -8.613 -6.418 1.00 0.00 H new ATOM 0 HG2 ARG A 16 -2.757 -9.698 -8.614 1.00 0.00 H new ATOM 0 HG3 ARG A 16 -3.449 -11.192 -8.013 1.00 0.00 H new ATOM 0 HD2 ARG A 16 -5.608 -10.016 -7.673 1.00 0.00 H new ATOM 0 HD3 ARG A 16 -4.902 -8.568 -8.362 1.00 0.00 H new ATOM 0 HE ARG A 16 -4.595 -10.865 -10.113 1.00 0.00 H new ATOM 0 HH11 ARG A 16 -6.832 -8.351 -9.062 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -7.772 -8.392 -10.558 1.00 0.00 H new ATOM 0 HH21 ARG A 16 -5.810 -10.910 -12.030 1.00 0.00 H new ATOM 0 HH22 ARG A 16 -7.197 -9.834 -12.231 1.00 0.00 H new ATOM 250 N SER A 17 -0.048 -11.512 -6.615 1.00 0.00 N ATOM 251 CA SER A 17 0.490 -12.819 -6.974 1.00 0.00 C ATOM 252 C SER A 17 1.895 -13.008 -6.418 1.00 0.00 C ATOM 253 O SER A 17 2.575 -12.039 -6.079 1.00 0.00 O ATOM 254 CB SER A 17 0.506 -12.981 -8.481 1.00 0.00 C ATOM 255 OG SER A 17 1.363 -12.046 -9.078 1.00 0.00 O ATOM 0 H SER A 17 0.656 -10.780 -6.516 1.00 0.00 H new ATOM 0 HA SER A 17 -0.156 -13.580 -6.536 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.827 -13.990 -8.738 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.503 -12.858 -8.874 1.00 0.00 H new ATOM 0 HG SER A 17 0.846 -11.459 -9.669 1.00 0.00 H new ATOM 261 N VAL A 18 2.327 -14.261 -6.327 1.00 0.00 N ATOM 262 CA VAL A 18 3.646 -14.580 -5.796 1.00 0.00 C ATOM 263 C VAL A 18 4.430 -15.461 -6.761 1.00 0.00 C ATOM 264 O VAL A 18 3.853 -16.110 -7.633 1.00 0.00 O ATOM 265 CB VAL A 18 3.517 -15.299 -4.440 1.00 0.00 C ATOM 266 CG1 VAL A 18 2.775 -14.422 -3.441 1.00 0.00 C ATOM 267 CG2 VAL A 18 2.802 -16.629 -4.625 1.00 0.00 C ATOM 0 H VAL A 18 1.781 -15.073 -6.615 1.00 0.00 H new ATOM 0 HA VAL A 18 4.185 -13.642 -5.663 1.00 0.00 H new ATOM 0 HB VAL A 18 4.515 -15.492 -4.045 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.693 -14.945 -2.488 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.323 -13.491 -3.297 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.778 -14.201 -3.821 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.714 -17.132 -3.662 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.807 -16.453 -5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.371 -17.256 -5.311 1.00 0.00 H new ATOM 277 N PHE A 19 5.749 -15.479 -6.599 1.00 0.00 N ATOM 278 CA PHE A 19 6.612 -16.310 -7.430 1.00 0.00 C ATOM 279 C PHE A 19 7.162 -17.492 -6.643 1.00 0.00 C ATOM 280 O PHE A 19 8.019 -17.327 -5.775 1.00 0.00 O ATOM 281 CB PHE A 19 7.769 -15.482 -7.993 1.00 0.00 C ATOM 282 CG PHE A 19 8.533 -16.175 -9.086 1.00 0.00 C ATOM 283 CD1 PHE A 19 7.903 -17.081 -9.925 1.00 0.00 C ATOM 284 CD2 PHE A 19 9.883 -15.921 -9.276 1.00 0.00 C ATOM 285 CE1 PHE A 19 8.606 -17.719 -10.930 1.00 0.00 C ATOM 286 CE2 PHE A 19 10.587 -16.556 -10.280 1.00 0.00 C ATOM 287 CZ PHE A 19 9.947 -17.456 -11.108 1.00 0.00 C ATOM 0 H PHE A 19 6.244 -14.927 -5.899 1.00 0.00 H new ATOM 0 HA PHE A 19 6.010 -16.694 -8.254 1.00 0.00 H new ATOM 0 HB2 PHE A 19 7.377 -14.540 -8.377 1.00 0.00 H new ATOM 0 HB3 PHE A 19 8.455 -15.235 -7.183 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.852 -17.291 -9.792 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.390 -15.218 -8.631 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.104 -18.424 -11.576 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.638 -16.349 -10.417 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.496 -17.953 -11.894 1.00 0.00 H new ATOM 297 N VAL A 20 6.665 -18.685 -6.953 1.00 0.00 N ATOM 298 CA VAL A 20 7.007 -19.879 -6.189 1.00 0.00 C ATOM 299 C VAL A 20 8.177 -20.622 -6.822 1.00 0.00 C ATOM 300 O VAL A 20 8.158 -20.928 -8.014 1.00 0.00 O ATOM 301 CB VAL A 20 5.792 -20.821 -6.099 1.00 0.00 C ATOM 302 CG1 VAL A 20 6.139 -22.061 -5.287 1.00 0.00 C ATOM 303 CG2 VAL A 20 4.611 -20.087 -5.483 1.00 0.00 C ATOM 0 H VAL A 20 6.024 -18.851 -7.729 1.00 0.00 H new ATOM 0 HA VAL A 20 7.297 -19.560 -5.188 1.00 0.00 H new ATOM 0 HB VAL A 20 5.517 -21.141 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.269 -22.716 -5.233 1.00 0.00 H new ATOM 0 HG12 VAL A 20 6.963 -22.590 -5.765 1.00 0.00 H new ATOM 0 HG13 VAL A 20 6.434 -21.766 -4.280 1.00 0.00 H new ATOM 0 HG21 VAL A 20 3.756 -20.760 -5.423 1.00 0.00 H new ATOM 0 HG22 VAL A 20 4.876 -19.747 -4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.354 -19.228 -6.102 1.00 0.00 H new ATOM 313 N GLY A 21 9.194 -20.909 -6.017 1.00 0.00 N ATOM 314 CA GLY A 21 10.344 -21.677 -6.479 1.00 0.00 C ATOM 315 C GLY A 21 10.437 -23.016 -5.760 1.00 0.00 C ATOM 316 O GLY A 21 9.699 -23.274 -4.809 1.00 0.00 O ATOM 0 H GLY A 21 9.245 -20.621 -5.040 1.00 0.00 H new ATOM 0 HA2 GLY A 21 10.266 -21.843 -7.553 1.00 0.00 H new ATOM 0 HA3 GLY A 21 11.257 -21.106 -6.310 1.00 0.00 H new ATOM 320 N ASN A 22 11.348 -23.867 -6.220 1.00 0.00 N ATOM 321 CA ASN A 22 11.539 -25.183 -5.622 1.00 0.00 C ATOM 322 C ASN A 22 10.271 -26.022 -5.722 1.00 0.00 C ATOM 323 O ASN A 22 9.915 -26.740 -4.788 1.00 0.00 O ATOM 324 CB ASN A 22 11.981 -25.054 -4.176 1.00 0.00 C ATOM 325 CG ASN A 22 13.305 -24.355 -4.037 1.00 0.00 C ATOM 326 OD1 ASN A 22 14.108 -24.327 -4.977 1.00 0.00 O ATOM 327 ND2 ASN A 22 13.549 -23.791 -2.881 1.00 0.00 N ATOM 0 H ASN A 22 11.967 -23.668 -7.006 1.00 0.00 H new ATOM 0 HA ASN A 22 12.324 -25.694 -6.180 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.224 -24.505 -3.616 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.050 -26.047 -3.731 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.432 -23.303 -2.728 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.857 -23.839 -2.134 1.00 0.00 H new ATOM 334 N ILE A 23 9.593 -25.927 -6.861 1.00 0.00 N ATOM 335 CA ILE A 23 8.386 -26.708 -7.101 1.00 0.00 C ATOM 336 C ILE A 23 8.725 -28.113 -7.583 1.00 0.00 C ATOM 337 O ILE A 23 9.482 -28.286 -8.538 1.00 0.00 O ATOM 338 CB ILE A 23 7.480 -26.015 -8.136 1.00 0.00 C ATOM 339 CG1 ILE A 23 6.983 -24.672 -7.595 1.00 0.00 C ATOM 340 CG2 ILE A 23 6.308 -26.912 -8.502 1.00 0.00 C ATOM 341 CD1 ILE A 23 6.268 -23.826 -8.624 1.00 0.00 C ATOM 0 H ILE A 23 9.860 -25.316 -7.633 1.00 0.00 H new ATOM 0 HA ILE A 23 7.854 -26.781 -6.153 1.00 0.00 H new ATOM 0 HB ILE A 23 8.063 -25.828 -9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 23 6.310 -24.855 -6.758 1.00 0.00 H new ATOM 0 HG13 ILE A 23 7.832 -24.112 -7.204 1.00 0.00 H new ATOM 0 HG21 ILE A 23 5.678 -26.407 -9.234 1.00 0.00 H new ATOM 0 HG22 ILE A 23 6.682 -27.844 -8.926 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.723 -27.129 -7.608 1.00 0.00 H new ATOM 0 HD11 ILE A 23 5.946 -22.891 -8.166 1.00 0.00 H new ATOM 0 HD12 ILE A 23 6.944 -23.611 -9.451 1.00 0.00 H new ATOM 0 HD13 ILE A 23 5.398 -24.366 -8.998 1.00 0.00 H new ATOM 353 N PRO A 24 8.160 -29.113 -6.916 1.00 0.00 N ATOM 354 CA PRO A 24 8.312 -30.500 -7.341 1.00 0.00 C ATOM 355 C PRO A 24 7.898 -30.679 -8.796 1.00 0.00 C ATOM 356 O PRO A 24 6.836 -30.213 -9.210 1.00 0.00 O ATOM 357 CB PRO A 24 7.379 -31.256 -6.390 1.00 0.00 C ATOM 358 CG PRO A 24 7.320 -30.396 -5.174 1.00 0.00 C ATOM 359 CD PRO A 24 7.319 -28.989 -5.711 1.00 0.00 C ATOM 0 HA PRO A 24 9.342 -30.855 -7.296 1.00 0.00 H new ATOM 0 HB2 PRO A 24 6.391 -31.394 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 24 7.766 -32.248 -6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.424 -30.598 -4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 24 8.175 -30.572 -4.521 1.00 0.00 H new ATOM 0 HD2 PRO A 24 6.313 -28.646 -5.951 1.00 0.00 H new ATOM 0 HD3 PRO A 24 7.735 -28.280 -4.995 1.00 0.00 H new ATOM 367 N TYR A 25 8.741 -31.356 -9.567 1.00 0.00 N ATOM 368 CA TYR A 25 8.504 -31.528 -10.995 1.00 0.00 C ATOM 369 C TYR A 25 7.287 -32.408 -11.250 1.00 0.00 C ATOM 370 O TYR A 25 6.606 -32.264 -12.265 1.00 0.00 O ATOM 371 CB TYR A 25 9.739 -32.121 -11.676 1.00 0.00 C ATOM 372 CG TYR A 25 10.921 -31.178 -11.725 1.00 0.00 C ATOM 373 CD1 TYR A 25 10.837 -29.929 -11.127 1.00 0.00 C ATOM 374 CD2 TYR A 25 12.088 -31.563 -12.367 1.00 0.00 C ATOM 375 CE1 TYR A 25 11.916 -29.068 -11.172 1.00 0.00 C ATOM 376 CE2 TYR A 25 13.168 -30.702 -12.412 1.00 0.00 C ATOM 377 CZ TYR A 25 13.084 -29.459 -11.818 1.00 0.00 C ATOM 378 OH TYR A 25 14.159 -28.601 -11.862 1.00 0.00 O ATOM 0 H TYR A 25 9.596 -31.795 -9.226 1.00 0.00 H new ATOM 0 HA TYR A 25 8.306 -30.545 -11.421 1.00 0.00 H new ATOM 0 HB2 TYR A 25 10.032 -33.029 -11.149 1.00 0.00 H new ATOM 0 HB3 TYR A 25 9.477 -32.413 -12.693 1.00 0.00 H new ATOM 0 HD1 TYR A 25 9.928 -29.630 -10.626 1.00 0.00 H new ATOM 0 HD2 TYR A 25 12.153 -32.536 -12.832 1.00 0.00 H new ATOM 0 HE1 TYR A 25 11.853 -28.095 -10.707 1.00 0.00 H new ATOM 0 HE2 TYR A 25 14.077 -31.002 -12.912 1.00 0.00 H new ATOM 0 HH TYR A 25 14.896 -29.025 -12.349 1.00 0.00 H new ATOM 388 N GLU A 26 7.018 -33.320 -10.322 1.00 0.00 N ATOM 389 CA GLU A 26 5.898 -34.243 -10.456 1.00 0.00 C ATOM 390 C GLU A 26 4.575 -33.553 -10.148 1.00 0.00 C ATOM 391 O GLU A 26 3.503 -34.098 -10.414 1.00 0.00 O ATOM 392 CB GLU A 26 6.084 -35.447 -9.530 1.00 0.00 C ATOM 393 CG GLU A 26 6.050 -35.110 -8.046 1.00 0.00 C ATOM 394 CD GLU A 26 7.410 -34.800 -7.485 1.00 0.00 C ATOM 395 OE1 GLU A 26 8.307 -34.553 -8.254 1.00 0.00 O ATOM 396 OE2 GLU A 26 7.552 -34.811 -6.285 1.00 0.00 O ATOM 0 H GLU A 26 7.562 -33.440 -9.467 1.00 0.00 H new ATOM 0 HA GLU A 26 5.873 -34.587 -11.490 1.00 0.00 H new ATOM 0 HB2 GLU A 26 5.303 -36.177 -9.742 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.037 -35.923 -9.760 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.394 -34.254 -7.888 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.619 -35.948 -7.498 1.00 0.00 H new ATOM 403 N ALA A 27 4.657 -32.352 -9.587 1.00 0.00 N ATOM 404 CA ALA A 27 3.467 -31.591 -9.228 1.00 0.00 C ATOM 405 C ALA A 27 2.889 -30.869 -10.438 1.00 0.00 C ATOM 406 O ALA A 27 3.628 -30.380 -11.293 1.00 0.00 O ATOM 407 CB ALA A 27 3.787 -30.596 -8.122 1.00 0.00 C ATOM 0 H ALA A 27 5.537 -31.884 -9.371 1.00 0.00 H new ATOM 0 HA ALA A 27 2.717 -32.293 -8.864 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.888 -30.036 -7.865 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.144 -31.132 -7.243 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.559 -29.907 -8.465 1.00 0.00 H new ATOM 413 N THR A 28 1.563 -30.805 -10.506 1.00 0.00 N ATOM 414 CA THR A 28 0.884 -30.093 -11.581 1.00 0.00 C ATOM 415 C THR A 28 0.363 -28.743 -11.105 1.00 0.00 C ATOM 416 O THR A 28 0.376 -28.448 -9.910 1.00 0.00 O ATOM 417 CB THR A 28 -0.279 -30.926 -12.150 1.00 0.00 C ATOM 418 OG1 THR A 28 -1.317 -31.034 -11.167 1.00 0.00 O ATOM 419 CG2 THR A 28 0.199 -32.318 -12.533 1.00 0.00 C ATOM 0 H THR A 28 0.937 -31.239 -9.828 1.00 0.00 H new ATOM 0 HA THR A 28 1.617 -29.927 -12.371 1.00 0.00 H new ATOM 0 HB THR A 28 -0.662 -30.428 -13.040 1.00 0.00 H new ATOM 0 HG1 THR A 28 -2.058 -31.563 -11.530 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.637 -32.892 -12.933 1.00 0.00 H new ATOM 0 HG22 THR A 28 0.980 -32.239 -13.289 1.00 0.00 H new ATOM 0 HG23 THR A 28 0.596 -32.822 -11.652 1.00 0.00 H new ATOM 427 N GLU A 29 -0.097 -27.926 -12.047 1.00 0.00 N ATOM 428 CA GLU A 29 -0.604 -26.597 -11.727 1.00 0.00 C ATOM 429 C GLU A 29 -1.828 -26.677 -10.824 1.00 0.00 C ATOM 430 O GLU A 29 -1.982 -25.880 -9.899 1.00 0.00 O ATOM 431 CB GLU A 29 -0.953 -25.837 -13.009 1.00 0.00 C ATOM 432 CG GLU A 29 0.252 -25.420 -13.840 1.00 0.00 C ATOM 433 CD GLU A 29 -0.125 -24.629 -15.062 1.00 0.00 C ATOM 434 OE1 GLU A 29 -1.173 -24.879 -15.608 1.00 0.00 O ATOM 435 OE2 GLU A 29 0.636 -23.774 -15.450 1.00 0.00 O ATOM 0 H GLU A 29 -0.129 -28.161 -13.039 1.00 0.00 H new ATOM 0 HA GLU A 29 0.181 -26.060 -11.194 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -1.603 -26.462 -13.622 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -1.523 -24.946 -12.745 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.925 -24.826 -13.222 1.00 0.00 H new ATOM 0 HG3 GLU A 29 0.802 -26.310 -14.145 1.00 0.00 H new ATOM 442 N GLU A 30 -2.698 -27.644 -11.098 1.00 0.00 N ATOM 443 CA GLU A 30 -3.931 -27.804 -10.337 1.00 0.00 C ATOM 444 C GLU A 30 -3.645 -28.294 -8.923 1.00 0.00 C ATOM 445 O GLU A 30 -4.290 -27.867 -7.966 1.00 0.00 O ATOM 446 CB GLU A 30 -4.872 -28.780 -11.045 1.00 0.00 C ATOM 447 CG GLU A 30 -5.486 -28.241 -12.330 1.00 0.00 C ATOM 448 CD GLU A 30 -6.364 -27.043 -12.101 1.00 0.00 C ATOM 449 OE1 GLU A 30 -7.260 -27.132 -11.297 1.00 0.00 O ATOM 450 OE2 GLU A 30 -6.140 -26.037 -12.732 1.00 0.00 O ATOM 0 H GLU A 30 -2.571 -28.329 -11.843 1.00 0.00 H new ATOM 0 HA GLU A 30 -4.411 -26.828 -10.272 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.323 -29.693 -11.274 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.675 -29.054 -10.360 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -4.689 -27.974 -13.023 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -6.071 -29.028 -12.805 1.00 0.00 H new ATOM 457 N GLN A 31 -2.675 -29.193 -8.799 1.00 0.00 N ATOM 458 CA GLN A 31 -2.243 -29.680 -7.494 1.00 0.00 C ATOM 459 C GLN A 31 -1.646 -28.556 -6.657 1.00 0.00 C ATOM 460 O GLN A 31 -1.893 -28.465 -5.455 1.00 0.00 O ATOM 461 CB GLN A 31 -1.224 -30.811 -7.654 1.00 0.00 C ATOM 462 CG GLN A 31 -1.813 -32.110 -8.178 1.00 0.00 C ATOM 463 CD GLN A 31 -0.753 -33.167 -8.427 1.00 0.00 C ATOM 464 OE1 GLN A 31 0.355 -32.861 -8.875 1.00 0.00 O ATOM 465 NE2 GLN A 31 -1.088 -34.419 -8.136 1.00 0.00 N ATOM 0 H GLN A 31 -2.172 -29.600 -9.588 1.00 0.00 H new ATOM 0 HA GLN A 31 -3.121 -30.064 -6.975 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -0.437 -30.482 -8.332 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -0.754 -31.001 -6.689 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -2.541 -32.491 -7.461 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -2.351 -31.914 -9.105 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -2.016 -34.626 -7.767 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.417 -35.173 -8.281 1.00 0.00 H new ATOM 474 N LEU A 32 -0.858 -27.701 -7.300 1.00 0.00 N ATOM 475 CA LEU A 32 -0.289 -26.534 -6.636 1.00 0.00 C ATOM 476 C LEU A 32 -1.376 -25.549 -6.227 1.00 0.00 C ATOM 477 O LEU A 32 -1.354 -25.009 -5.121 1.00 0.00 O ATOM 478 CB LEU A 32 0.719 -25.838 -7.558 1.00 0.00 C ATOM 479 CG LEU A 32 2.011 -26.617 -7.841 1.00 0.00 C ATOM 480 CD1 LEU A 32 2.767 -25.950 -8.982 1.00 0.00 C ATOM 481 CD2 LEU A 32 2.859 -26.668 -6.579 1.00 0.00 C ATOM 0 H LEU A 32 -0.598 -27.795 -8.282 1.00 0.00 H new ATOM 0 HA LEU A 32 0.221 -26.877 -5.736 1.00 0.00 H new ATOM 0 HB2 LEU A 32 0.229 -25.627 -8.508 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.985 -24.878 -7.116 1.00 0.00 H new ATOM 0 HG LEU A 32 1.773 -27.639 -8.137 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.684 -26.503 -9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.144 -25.943 -9.876 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.014 -24.925 -8.705 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.777 -27.221 -6.779 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.108 -25.654 -6.266 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.301 -27.166 -5.786 1.00 0.00 H new ATOM 493 N LYS A 33 -2.328 -25.319 -7.125 1.00 0.00 N ATOM 494 CA LYS A 33 -3.442 -24.420 -6.848 1.00 0.00 C ATOM 495 C LYS A 33 -4.242 -24.890 -5.640 1.00 0.00 C ATOM 496 O LYS A 33 -4.695 -24.080 -4.831 1.00 0.00 O ATOM 497 CB LYS A 33 -4.354 -24.305 -8.071 1.00 0.00 C ATOM 498 CG LYS A 33 -3.792 -23.445 -9.196 1.00 0.00 C ATOM 499 CD LYS A 33 -4.537 -23.687 -10.500 1.00 0.00 C ATOM 500 CE LYS A 33 -6.005 -23.306 -10.379 1.00 0.00 C ATOM 501 NZ LYS A 33 -6.728 -23.459 -11.670 1.00 0.00 N ATOM 0 H LYS A 33 -2.350 -25.744 -8.052 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.029 -23.437 -6.621 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -4.551 -25.305 -8.458 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -5.312 -23.891 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -3.864 -22.392 -8.923 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -2.734 -23.667 -9.333 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.074 -23.108 -11.299 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -4.454 -24.737 -10.779 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.480 -23.929 -9.621 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.085 -22.274 -10.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.751 -23.372 -11.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.418 -22.719 -12.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.521 -24.394 -12.075 1.00 0.00 H new ATOM 515 N ASP A 34 -4.413 -26.202 -5.524 1.00 0.00 N ATOM 516 CA ASP A 34 -5.158 -26.782 -4.413 1.00 0.00 C ATOM 517 C ASP A 34 -4.503 -26.453 -3.078 1.00 0.00 C ATOM 518 O ASP A 34 -5.164 -25.992 -2.148 1.00 0.00 O ATOM 519 CB ASP A 34 -5.267 -28.300 -4.575 1.00 0.00 C ATOM 520 CG ASP A 34 -6.253 -28.712 -5.660 1.00 0.00 C ATOM 521 OD1 ASP A 34 -7.047 -27.891 -6.056 1.00 0.00 O ATOM 522 OD2 ASP A 34 -6.203 -29.842 -6.082 1.00 0.00 O ATOM 0 H ASP A 34 -4.045 -26.885 -6.187 1.00 0.00 H new ATOM 0 HA ASP A 34 -6.158 -26.348 -4.423 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.284 -28.706 -4.812 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -5.574 -28.740 -3.626 1.00 0.00 H new ATOM 527 N ILE A 35 -3.199 -26.693 -2.989 1.00 0.00 N ATOM 528 CA ILE A 35 -2.465 -26.491 -1.746 1.00 0.00 C ATOM 529 C ILE A 35 -2.225 -25.010 -1.483 1.00 0.00 C ATOM 530 O ILE A 35 -1.949 -24.608 -0.352 1.00 0.00 O ATOM 531 CB ILE A 35 -1.117 -27.234 -1.777 1.00 0.00 C ATOM 532 CG1 ILE A 35 -0.206 -26.642 -2.856 1.00 0.00 C ATOM 533 CG2 ILE A 35 -1.333 -28.720 -2.015 1.00 0.00 C ATOM 534 CD1 ILE A 35 1.220 -27.137 -2.790 1.00 0.00 C ATOM 0 H ILE A 35 -2.628 -27.028 -3.765 1.00 0.00 H new ATOM 0 HA ILE A 35 -3.075 -26.896 -0.939 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.631 -27.110 -0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -0.618 -26.880 -3.837 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -0.208 -25.556 -2.764 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.369 -29.229 -2.034 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -1.945 -29.132 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -1.839 -28.866 -2.969 1.00 0.00 H new ATOM 0 HD11 ILE A 35 1.803 -26.673 -3.585 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.652 -26.875 -1.824 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.235 -28.220 -2.913 1.00 0.00 H new ATOM 546 N PHE A 36 -2.331 -24.203 -2.533 1.00 0.00 N ATOM 547 CA PHE A 36 -2.148 -22.762 -2.412 1.00 0.00 C ATOM 548 C PHE A 36 -3.461 -22.066 -2.075 1.00 0.00 C ATOM 549 O PHE A 36 -3.467 -20.970 -1.516 1.00 0.00 O ATOM 550 CB PHE A 36 -1.578 -22.185 -3.710 1.00 0.00 C ATOM 551 CG PHE A 36 -0.154 -22.584 -3.976 1.00 0.00 C ATOM 552 CD1 PHE A 36 0.649 -23.067 -2.953 1.00 0.00 C ATOM 553 CD2 PHE A 36 0.385 -22.477 -5.249 1.00 0.00 C ATOM 554 CE1 PHE A 36 1.959 -23.434 -3.198 1.00 0.00 C ATOM 555 CE2 PHE A 36 1.693 -22.844 -5.496 1.00 0.00 C ATOM 556 CZ PHE A 36 2.481 -23.323 -4.468 1.00 0.00 C ATOM 0 H PHE A 36 -2.543 -24.523 -3.478 1.00 0.00 H new ATOM 0 HA PHE A 36 -1.444 -22.585 -1.599 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.199 -22.510 -4.545 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.640 -21.097 -3.671 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.246 -23.157 -1.955 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -0.226 -22.102 -6.057 1.00 0.00 H new ATOM 0 HE1 PHE A 36 2.574 -23.808 -2.393 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.100 -22.756 -6.493 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.504 -23.610 -4.659 1.00 0.00 H new ATOM 566 N SER A 37 -4.571 -22.710 -2.419 1.00 0.00 N ATOM 567 CA SER A 37 -5.892 -22.192 -2.084 1.00 0.00 C ATOM 568 C SER A 37 -6.117 -22.192 -0.577 1.00 0.00 C ATOM 569 O SER A 37 -6.981 -21.477 -0.069 1.00 0.00 O ATOM 570 CB SER A 37 -6.965 -23.020 -2.764 1.00 0.00 C ATOM 571 OG SER A 37 -7.104 -24.269 -2.145 1.00 0.00 O ATOM 0 H SER A 37 -4.582 -23.593 -2.930 1.00 0.00 H new ATOM 0 HA SER A 37 -5.950 -21.163 -2.439 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.915 -22.487 -2.732 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.712 -23.157 -3.815 1.00 0.00 H new ATOM 0 HG SER A 37 -6.396 -24.870 -2.458 1.00 0.00 H new ATOM 577 N GLU A 38 -5.335 -22.996 0.134 1.00 0.00 N ATOM 578 CA GLU A 38 -5.440 -23.082 1.585 1.00 0.00 C ATOM 579 C GLU A 38 -5.075 -21.757 2.243 1.00 0.00 C ATOM 580 O GLU A 38 -5.535 -21.451 3.343 1.00 0.00 O ATOM 581 CB GLU A 38 -4.536 -24.194 2.121 1.00 0.00 C ATOM 582 CG GLU A 38 -4.976 -25.601 1.739 1.00 0.00 C ATOM 583 CD GLU A 38 -3.982 -26.654 2.142 1.00 0.00 C ATOM 584 OE1 GLU A 38 -2.846 -26.316 2.372 1.00 0.00 O ATOM 585 OE2 GLU A 38 -4.360 -27.800 2.220 1.00 0.00 O ATOM 0 H GLU A 38 -4.620 -23.599 -0.272 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.476 -23.314 1.830 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.523 -24.031 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.496 -24.121 3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -5.936 -25.816 2.208 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -5.131 -25.648 0.661 1.00 0.00 H new ATOM 592 N VAL A 39 -4.245 -20.974 1.563 1.00 0.00 N ATOM 593 CA VAL A 39 -3.752 -19.717 2.114 1.00 0.00 C ATOM 594 C VAL A 39 -4.270 -18.526 1.319 1.00 0.00 C ATOM 595 O VAL A 39 -3.662 -17.455 1.320 1.00 0.00 O ATOM 596 CB VAL A 39 -2.212 -19.701 2.114 1.00 0.00 C ATOM 597 CG1 VAL A 39 -1.668 -20.747 3.074 1.00 0.00 C ATOM 598 CG2 VAL A 39 -1.692 -19.940 0.704 1.00 0.00 C ATOM 0 H VAL A 39 -3.899 -21.188 0.628 1.00 0.00 H new ATOM 0 HA VAL A 39 -4.118 -19.638 3.138 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.869 -18.723 2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.578 -20.721 3.061 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -2.024 -20.535 4.082 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -2.011 -21.735 2.768 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.602 -19.927 0.711 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.041 -20.909 0.347 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.060 -19.155 0.043 1.00 0.00 H new ATOM 608 N GLY A 40 -5.397 -18.718 0.642 1.00 0.00 N ATOM 609 CA GLY A 40 -6.056 -17.631 -0.074 1.00 0.00 C ATOM 610 C GLY A 40 -6.587 -18.102 -1.421 1.00 0.00 C ATOM 611 O GLY A 40 -5.971 -18.934 -2.087 1.00 0.00 O ATOM 0 H GLY A 40 -5.874 -19.617 0.574 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.877 -17.241 0.527 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.353 -16.812 -0.224 1.00 0.00 H new ATOM 615 N PRO A 41 -7.736 -17.565 -1.819 1.00 0.00 N ATOM 616 CA PRO A 41 -8.348 -17.923 -3.093 1.00 0.00 C ATOM 617 C PRO A 41 -7.387 -17.691 -4.251 1.00 0.00 C ATOM 618 O PRO A 41 -6.847 -16.596 -4.413 1.00 0.00 O ATOM 619 CB PRO A 41 -9.559 -16.987 -3.167 1.00 0.00 C ATOM 620 CG PRO A 41 -9.905 -16.722 -1.742 1.00 0.00 C ATOM 621 CD PRO A 41 -8.574 -16.620 -1.046 1.00 0.00 C ATOM 0 HA PRO A 41 -8.620 -18.976 -3.161 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -9.318 -16.065 -3.696 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.389 -17.452 -3.699 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -10.480 -15.802 -1.637 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -10.511 -17.526 -1.324 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -8.176 -15.606 -1.077 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -8.642 -16.903 0.004 1.00 0.00 H new ATOM 629 N VAL A 42 -7.177 -18.727 -5.055 1.00 0.00 N ATOM 630 CA VAL A 42 -6.262 -18.645 -6.188 1.00 0.00 C ATOM 631 C VAL A 42 -7.016 -18.405 -7.489 1.00 0.00 C ATOM 632 O VAL A 42 -7.908 -19.172 -7.851 1.00 0.00 O ATOM 633 CB VAL A 42 -5.440 -19.942 -6.306 1.00 0.00 C ATOM 634 CG1 VAL A 42 -4.527 -19.885 -7.521 1.00 0.00 C ATOM 635 CG2 VAL A 42 -4.633 -20.161 -5.035 1.00 0.00 C ATOM 0 H VAL A 42 -7.628 -19.635 -4.943 1.00 0.00 H new ATOM 0 HA VAL A 42 -5.593 -17.803 -6.013 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.122 -20.782 -6.435 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.954 -20.810 -7.589 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.128 -19.764 -8.422 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.844 -19.041 -7.424 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -4.054 -21.080 -5.125 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.957 -19.320 -4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.309 -20.240 -4.184 1.00 0.00 H new ATOM 645 N VAL A 43 -6.653 -17.336 -8.189 1.00 0.00 N ATOM 646 CA VAL A 43 -7.256 -17.024 -9.479 1.00 0.00 C ATOM 647 C VAL A 43 -6.682 -17.903 -10.583 1.00 0.00 C ATOM 648 O VAL A 43 -7.424 -18.499 -11.364 1.00 0.00 O ATOM 649 CB VAL A 43 -7.023 -15.543 -9.834 1.00 0.00 C ATOM 650 CG1 VAL A 43 -7.494 -15.254 -11.252 1.00 0.00 C ATOM 651 CG2 VAL A 43 -7.743 -14.651 -8.834 1.00 0.00 C ATOM 0 H VAL A 43 -5.943 -16.670 -7.884 1.00 0.00 H new ATOM 0 HA VAL A 43 -8.326 -17.217 -9.399 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.955 -15.331 -9.784 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -7.322 -14.203 -11.486 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.940 -15.877 -11.954 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -8.558 -15.474 -11.334 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -7.574 -13.605 -9.091 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -8.812 -14.863 -8.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -7.360 -14.845 -7.832 1.00 0.00 H new ATOM 661 N SER A 44 -5.357 -17.981 -10.642 1.00 0.00 N ATOM 662 CA SER A 44 -4.679 -18.698 -11.715 1.00 0.00 C ATOM 663 C SER A 44 -3.271 -19.106 -11.300 1.00 0.00 C ATOM 664 O SER A 44 -2.818 -18.781 -10.203 1.00 0.00 O ATOM 665 CB SER A 44 -4.619 -17.838 -12.962 1.00 0.00 C ATOM 666 OG SER A 44 -3.676 -16.812 -12.819 1.00 0.00 O ATOM 0 H SER A 44 -4.731 -17.556 -9.958 1.00 0.00 H new ATOM 0 HA SER A 44 -5.249 -19.602 -11.927 1.00 0.00 H new ATOM 0 HB2 SER A 44 -4.362 -18.456 -13.822 1.00 0.00 H new ATOM 0 HB3 SER A 44 -5.601 -17.409 -13.160 1.00 0.00 H new ATOM 0 HG SER A 44 -4.138 -15.963 -12.659 1.00 0.00 H new ATOM 672 N PHE A 45 -2.583 -19.821 -12.184 1.00 0.00 N ATOM 673 CA PHE A 45 -1.199 -20.210 -11.944 1.00 0.00 C ATOM 674 C PHE A 45 -0.441 -20.388 -13.254 1.00 0.00 C ATOM 675 O PHE A 45 -0.958 -20.971 -14.207 1.00 0.00 O ATOM 676 CB PHE A 45 -1.141 -21.507 -11.136 1.00 0.00 C ATOM 677 CG PHE A 45 0.243 -21.880 -10.685 1.00 0.00 C ATOM 678 CD1 PHE A 45 0.718 -21.470 -9.448 1.00 0.00 C ATOM 679 CD2 PHE A 45 1.072 -22.639 -11.496 1.00 0.00 C ATOM 680 CE1 PHE A 45 1.991 -21.812 -9.032 1.00 0.00 C ATOM 681 CE2 PHE A 45 2.344 -22.983 -11.082 1.00 0.00 C ATOM 682 CZ PHE A 45 2.804 -22.568 -9.848 1.00 0.00 C ATOM 0 H PHE A 45 -2.962 -20.143 -13.074 1.00 0.00 H new ATOM 0 HA PHE A 45 -0.724 -19.410 -11.376 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -1.784 -21.408 -10.261 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -1.547 -22.319 -11.740 1.00 0.00 H new ATOM 0 HD1 PHE A 45 0.086 -20.877 -8.803 1.00 0.00 H new ATOM 0 HD2 PHE A 45 0.719 -22.965 -12.463 1.00 0.00 H new ATOM 0 HE1 PHE A 45 2.349 -21.486 -8.066 1.00 0.00 H new ATOM 0 HE2 PHE A 45 2.979 -23.576 -11.723 1.00 0.00 H new ATOM 0 HZ PHE A 45 3.799 -22.835 -9.523 1.00 0.00 H new ATOM 692 N ARG A 46 0.787 -19.882 -13.294 1.00 0.00 N ATOM 693 CA ARG A 46 1.629 -20.010 -14.477 1.00 0.00 C ATOM 694 C ARG A 46 2.897 -20.797 -14.168 1.00 0.00 C ATOM 695 O ARG A 46 3.857 -20.256 -13.620 1.00 0.00 O ATOM 696 CB ARG A 46 2.007 -18.639 -15.017 1.00 0.00 C ATOM 697 CG ARG A 46 0.837 -17.804 -15.515 1.00 0.00 C ATOM 698 CD ARG A 46 1.295 -16.542 -16.151 1.00 0.00 C ATOM 699 NE ARG A 46 1.984 -16.786 -17.407 1.00 0.00 N ATOM 700 CZ ARG A 46 3.036 -16.073 -17.855 1.00 0.00 C ATOM 701 NH1 ARG A 46 3.506 -15.076 -17.139 1.00 0.00 N ATOM 702 NH2 ARG A 46 3.594 -16.375 -19.014 1.00 0.00 N ATOM 0 H ARG A 46 1.221 -19.379 -12.520 1.00 0.00 H new ATOM 0 HA ARG A 46 1.055 -20.550 -15.230 1.00 0.00 H new ATOM 0 HB2 ARG A 46 2.523 -18.085 -14.233 1.00 0.00 H new ATOM 0 HB3 ARG A 46 2.716 -18.769 -15.834 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.256 -18.383 -16.232 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.174 -17.572 -14.681 1.00 0.00 H new ATOM 0 HD2 ARG A 46 0.437 -15.893 -16.328 1.00 0.00 H new ATOM 0 HD3 ARG A 46 1.960 -16.013 -15.469 1.00 0.00 H new ATOM 0 HE ARG A 46 1.647 -17.551 -17.991 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.074 -14.842 -16.245 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.302 -14.536 -17.478 1.00 0.00 H new ATOM 0 HH21 ARG A 46 3.228 -17.148 -19.570 1.00 0.00 H new ATOM 0 HH22 ARG A 46 4.390 -15.835 -19.353 1.00 0.00 H new ATOM 716 N LEU A 47 2.894 -22.077 -14.524 1.00 0.00 N ATOM 717 CA LEU A 47 4.059 -22.930 -14.324 1.00 0.00 C ATOM 718 C LEU A 47 5.166 -22.591 -15.314 1.00 0.00 C ATOM 719 O LEU A 47 4.931 -22.515 -16.520 1.00 0.00 O ATOM 720 CB LEU A 47 3.667 -24.406 -14.472 1.00 0.00 C ATOM 721 CG LEU A 47 4.799 -25.419 -14.261 1.00 0.00 C ATOM 722 CD1 LEU A 47 5.260 -25.373 -12.811 1.00 0.00 C ATOM 723 CD2 LEU A 47 4.312 -26.811 -14.636 1.00 0.00 C ATOM 0 H LEU A 47 2.097 -22.547 -14.953 1.00 0.00 H new ATOM 0 HA LEU A 47 4.433 -22.754 -13.316 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.871 -24.625 -13.760 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.252 -24.555 -15.469 1.00 0.00 H new ATOM 0 HG LEU A 47 5.646 -25.168 -14.899 1.00 0.00 H new ATOM 0 HD11 LEU A 47 6.064 -26.093 -12.662 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.621 -24.372 -12.576 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.425 -25.621 -12.156 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.117 -27.531 -14.486 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.462 -27.081 -14.009 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.007 -26.820 -15.683 1.00 0.00 H new ATOM 735 N VAL A 48 6.373 -22.389 -14.798 1.00 0.00 N ATOM 736 CA VAL A 48 7.550 -22.222 -15.643 1.00 0.00 C ATOM 737 C VAL A 48 8.215 -23.561 -15.933 1.00 0.00 C ATOM 738 O VAL A 48 8.657 -24.257 -15.019 1.00 0.00 O ATOM 739 CB VAL A 48 8.566 -21.284 -14.964 1.00 0.00 C ATOM 740 CG1 VAL A 48 9.817 -21.147 -15.818 1.00 0.00 C ATOM 741 CG2 VAL A 48 7.930 -19.924 -14.716 1.00 0.00 C ATOM 0 H VAL A 48 6.563 -22.337 -13.797 1.00 0.00 H new ATOM 0 HA VAL A 48 7.221 -21.785 -16.586 1.00 0.00 H new ATOM 0 HB VAL A 48 8.857 -21.712 -14.005 1.00 0.00 H new ATOM 0 HG11 VAL A 48 10.524 -20.481 -15.323 1.00 0.00 H new ATOM 0 HG12 VAL A 48 10.275 -22.127 -15.952 1.00 0.00 H new ATOM 0 HG13 VAL A 48 9.550 -20.735 -16.791 1.00 0.00 H new ATOM 0 HG21 VAL A 48 8.654 -19.266 -14.236 1.00 0.00 H new ATOM 0 HG22 VAL A 48 7.619 -19.489 -15.666 1.00 0.00 H new ATOM 0 HG23 VAL A 48 7.061 -20.041 -14.069 1.00 0.00 H new ATOM 878 N LYS A 57 10.716 -26.261 -14.442 1.00 0.00 N ATOM 879 CA LYS A 57 11.974 -25.693 -13.973 1.00 0.00 C ATOM 880 C LYS A 57 11.937 -25.439 -12.471 1.00 0.00 C ATOM 881 O LYS A 57 12.917 -24.977 -11.886 1.00 0.00 O ATOM 882 CB LYS A 57 12.288 -24.395 -14.718 1.00 0.00 C ATOM 883 CG LYS A 57 12.559 -24.574 -16.206 1.00 0.00 C ATOM 884 CD LYS A 57 12.983 -23.264 -16.852 1.00 0.00 C ATOM 885 CE LYS A 57 13.276 -23.446 -18.334 1.00 0.00 C ATOM 886 NZ LYS A 57 13.701 -22.173 -18.978 1.00 0.00 N ATOM 0 HA LYS A 57 12.763 -26.417 -14.178 1.00 0.00 H new ATOM 0 HB2 LYS A 57 11.452 -23.707 -14.594 1.00 0.00 H new ATOM 0 HB3 LYS A 57 13.157 -23.926 -14.256 1.00 0.00 H new ATOM 0 HG2 LYS A 57 13.339 -25.321 -16.348 1.00 0.00 H new ATOM 0 HG3 LYS A 57 11.663 -24.951 -16.698 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.195 -22.521 -16.724 1.00 0.00 H new ATOM 0 HD3 LYS A 57 13.870 -22.878 -16.349 1.00 0.00 H new ATOM 0 HE2 LYS A 57 14.058 -24.195 -18.460 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.386 -23.827 -18.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.891 -22.341 -19.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 12.945 -21.466 -18.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 14.565 -21.822 -18.517 1.00 0.00 H new ATOM 900 N GLY A 58 10.801 -25.743 -11.853 1.00 0.00 N ATOM 901 CA GLY A 58 10.660 -25.622 -10.406 1.00 0.00 C ATOM 902 C GLY A 58 10.138 -24.245 -10.017 1.00 0.00 C ATOM 903 O GLY A 58 10.142 -23.879 -8.841 1.00 0.00 O ATOM 0 H GLY A 58 9.964 -26.075 -12.332 1.00 0.00 H new ATOM 0 HA2 GLY A 58 9.978 -26.389 -10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.624 -25.797 -9.928 1.00 0.00 H new ATOM 907 N TYR A 59 9.689 -23.486 -11.010 1.00 0.00 N ATOM 908 CA TYR A 59 9.198 -22.133 -10.777 1.00 0.00 C ATOM 909 C TYR A 59 7.809 -21.941 -11.374 1.00 0.00 C ATOM 910 O TYR A 59 7.423 -22.641 -12.311 1.00 0.00 O ATOM 911 CB TYR A 59 10.170 -21.103 -11.356 1.00 0.00 C ATOM 912 CG TYR A 59 11.475 -21.001 -10.597 1.00 0.00 C ATOM 913 CD1 TYR A 59 12.566 -21.763 -10.988 1.00 0.00 C ATOM 914 CD2 TYR A 59 11.580 -20.146 -9.510 1.00 0.00 C ATOM 915 CE1 TYR A 59 13.757 -21.671 -10.294 1.00 0.00 C ATOM 916 CE2 TYR A 59 12.771 -20.054 -8.816 1.00 0.00 C ATOM 917 CZ TYR A 59 13.856 -20.812 -9.205 1.00 0.00 C ATOM 918 OH TYR A 59 15.043 -20.720 -8.514 1.00 0.00 O ATOM 0 H TYR A 59 9.655 -23.785 -11.985 1.00 0.00 H new ATOM 0 HA TYR A 59 9.128 -21.984 -9.700 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.383 -21.361 -12.393 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.687 -20.126 -11.363 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.484 -22.428 -11.835 1.00 0.00 H new ATOM 0 HD2 TYR A 59 10.731 -19.552 -9.206 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.608 -22.264 -10.596 1.00 0.00 H new ATOM 0 HE2 TYR A 59 12.853 -19.389 -7.969 1.00 0.00 H new ATOM 0 HH TYR A 59 15.373 -19.798 -8.553 1.00 0.00 H new ATOM 928 N GLY A 60 7.062 -20.989 -10.827 1.00 0.00 N ATOM 929 CA GLY A 60 5.758 -20.629 -11.372 1.00 0.00 C ATOM 930 C GLY A 60 5.086 -19.553 -10.529 1.00 0.00 C ATOM 931 O GLY A 60 5.420 -19.369 -9.359 1.00 0.00 O ATOM 0 H GLY A 60 7.337 -20.452 -10.005 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.875 -20.273 -12.395 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.121 -21.513 -11.413 1.00 0.00 H new ATOM 935 N PHE A 61 4.137 -18.844 -11.131 1.00 0.00 N ATOM 936 CA PHE A 61 3.453 -17.749 -10.454 1.00 0.00 C ATOM 937 C PHE A 61 2.065 -18.171 -9.989 1.00 0.00 C ATOM 938 O PHE A 61 1.336 -18.847 -10.714 1.00 0.00 O ATOM 939 CB PHE A 61 3.339 -16.536 -11.379 1.00 0.00 C ATOM 940 CG PHE A 61 4.650 -15.854 -11.648 1.00 0.00 C ATOM 941 CD1 PHE A 61 5.422 -16.210 -12.744 1.00 0.00 C ATOM 942 CD2 PHE A 61 5.115 -14.856 -10.805 1.00 0.00 C ATOM 943 CE1 PHE A 61 6.628 -15.583 -12.993 1.00 0.00 C ATOM 944 CE2 PHE A 61 6.320 -14.227 -11.051 1.00 0.00 C ATOM 945 CZ PHE A 61 7.077 -14.591 -12.146 1.00 0.00 C ATOM 0 H PHE A 61 3.824 -19.009 -12.088 1.00 0.00 H new ATOM 0 HA PHE A 61 4.045 -17.480 -9.579 1.00 0.00 H new ATOM 0 HB2 PHE A 61 2.904 -16.853 -12.327 1.00 0.00 H new ATOM 0 HB3 PHE A 61 2.650 -15.817 -10.936 1.00 0.00 H new ATOM 0 HD1 PHE A 61 5.076 -16.986 -13.411 1.00 0.00 H new ATOM 0 HD2 PHE A 61 4.528 -14.567 -9.946 1.00 0.00 H new ATOM 0 HE1 PHE A 61 7.219 -15.869 -13.850 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.670 -13.451 -10.387 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.019 -14.100 -12.339 1.00 0.00 H new ATOM 955 N CYS A 62 1.706 -17.768 -8.775 1.00 0.00 N ATOM 956 CA CYS A 62 0.380 -18.048 -8.236 1.00 0.00 C ATOM 957 C CYS A 62 -0.402 -16.763 -8.002 1.00 0.00 C ATOM 958 O CYS A 62 -0.022 -15.936 -7.173 1.00 0.00 O ATOM 959 CB CYS A 62 0.487 -18.821 -6.920 1.00 0.00 C ATOM 960 SG CYS A 62 -1.108 -19.305 -6.217 1.00 0.00 S ATOM 0 H CYS A 62 2.315 -17.246 -8.145 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.151 -18.653 -8.971 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.086 -19.716 -7.085 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.021 -18.209 -6.194 1.00 0.00 H new ATOM 0 HG CYS A 62 -1.393 -18.529 -5.214 1.00 0.00 H new ATOM 966 N GLU A 63 -1.497 -16.600 -8.737 1.00 0.00 N ATOM 967 CA GLU A 63 -2.291 -15.379 -8.669 1.00 0.00 C ATOM 968 C GLU A 63 -3.456 -15.533 -7.701 1.00 0.00 C ATOM 969 O GLU A 63 -4.193 -16.519 -7.752 1.00 0.00 O ATOM 970 CB GLU A 63 -2.814 -15.006 -10.058 1.00 0.00 C ATOM 971 CG GLU A 63 -3.565 -13.683 -10.112 1.00 0.00 C ATOM 972 CD GLU A 63 -3.983 -13.303 -11.505 1.00 0.00 C ATOM 973 OE1 GLU A 63 -4.005 -14.163 -12.353 1.00 0.00 O ATOM 974 OE2 GLU A 63 -4.280 -12.152 -11.722 1.00 0.00 O ATOM 0 H GLU A 63 -1.855 -17.299 -9.387 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.645 -14.581 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.973 -14.961 -10.750 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -3.474 -15.799 -10.410 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -4.449 -13.747 -9.478 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.934 -12.896 -9.700 1.00 0.00 H new ATOM 981 N TYR A 64 -3.619 -14.554 -6.818 1.00 0.00 N ATOM 982 CA TYR A 64 -4.675 -14.595 -5.814 1.00 0.00 C ATOM 983 C TYR A 64 -5.716 -13.512 -6.063 1.00 0.00 C ATOM 984 O TYR A 64 -5.462 -12.548 -6.785 1.00 0.00 O ATOM 985 CB TYR A 64 -4.084 -14.450 -4.409 1.00 0.00 C ATOM 986 CG TYR A 64 -3.209 -15.611 -3.992 1.00 0.00 C ATOM 987 CD1 TYR A 64 -1.873 -15.642 -4.366 1.00 0.00 C ATOM 988 CD2 TYR A 64 -3.742 -16.645 -3.236 1.00 0.00 C ATOM 989 CE1 TYR A 64 -1.074 -16.702 -3.985 1.00 0.00 C ATOM 990 CE2 TYR A 64 -2.943 -17.705 -2.855 1.00 0.00 C ATOM 991 CZ TYR A 64 -1.614 -17.736 -3.227 1.00 0.00 C ATOM 992 OH TYR A 64 -0.818 -18.792 -2.848 1.00 0.00 O ATOM 0 H TYR A 64 -3.032 -13.721 -6.777 1.00 0.00 H new ATOM 0 HA TYR A 64 -5.170 -15.563 -5.890 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -3.499 -13.532 -4.364 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -4.898 -14.345 -3.692 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -1.458 -14.837 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -4.782 -16.621 -2.945 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -0.034 -16.728 -4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.358 -18.510 -2.266 1.00 0.00 H new ATOM 0 HH TYR A 64 -0.506 -19.269 -3.645 1.00 0.00 H new ATOM 1002 N GLN A 65 -6.889 -13.675 -5.462 1.00 0.00 N ATOM 1003 CA GLN A 65 -7.971 -12.709 -5.615 1.00 0.00 C ATOM 1004 C GLN A 65 -7.679 -11.429 -4.843 1.00 0.00 C ATOM 1005 O GLN A 65 -8.038 -10.335 -5.278 1.00 0.00 O ATOM 1006 CB GLN A 65 -9.298 -13.312 -5.147 1.00 0.00 C ATOM 1007 CG GLN A 65 -9.831 -14.416 -6.043 1.00 0.00 C ATOM 1008 CD GLN A 65 -11.162 -14.961 -5.560 1.00 0.00 C ATOM 1009 OE1 GLN A 65 -11.651 -14.586 -4.491 1.00 0.00 O ATOM 1010 NE2 GLN A 65 -11.756 -15.851 -6.347 1.00 0.00 N ATOM 0 H GLN A 65 -7.116 -14.469 -4.863 1.00 0.00 H new ATOM 0 HA GLN A 65 -8.048 -12.460 -6.673 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -9.169 -13.708 -4.140 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -10.043 -12.519 -5.085 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -9.945 -14.034 -7.057 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -9.104 -15.227 -6.087 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -11.315 -16.132 -7.223 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -12.653 -16.253 -6.076 1.00 0.00 H new ATOM 1019 N ASP A 66 -7.026 -11.572 -3.695 1.00 0.00 N ATOM 1020 CA ASP A 66 -6.763 -10.439 -2.816 1.00 0.00 C ATOM 1021 C ASP A 66 -5.270 -10.276 -2.559 1.00 0.00 C ATOM 1022 O ASP A 66 -4.583 -11.234 -2.206 1.00 0.00 O ATOM 1023 CB ASP A 66 -7.501 -10.609 -1.486 1.00 0.00 C ATOM 1024 CG ASP A 66 -7.408 -9.376 -0.596 1.00 0.00 C ATOM 1025 OD1 ASP A 66 -6.590 -8.531 -0.869 1.00 0.00 O ATOM 1026 OD2 ASP A 66 -8.158 -9.293 0.348 1.00 0.00 O ATOM 0 H ASP A 66 -6.669 -12.463 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.128 -9.541 -3.316 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -8.550 -10.830 -1.684 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -7.089 -11.467 -0.954 1.00 0.00 H new ATOM 1031 N GLN A 67 -4.774 -9.057 -2.738 1.00 0.00 N ATOM 1032 CA GLN A 67 -3.361 -8.766 -2.526 1.00 0.00 C ATOM 1033 C GLN A 67 -2.936 -9.106 -1.103 1.00 0.00 C ATOM 1034 O GLN A 67 -1.797 -9.506 -0.863 1.00 0.00 O ATOM 1035 CB GLN A 67 -3.066 -7.293 -2.821 1.00 0.00 C ATOM 1036 CG GLN A 67 -3.179 -6.917 -4.289 1.00 0.00 C ATOM 1037 CD GLN A 67 -3.011 -5.428 -4.519 1.00 0.00 C ATOM 1038 OE1 GLN A 67 -2.882 -4.649 -3.571 1.00 0.00 O ATOM 1039 NE2 GLN A 67 -3.012 -5.022 -5.784 1.00 0.00 N ATOM 0 H GLN A 67 -5.330 -8.253 -3.030 1.00 0.00 H new ATOM 0 HA GLN A 67 -2.787 -9.388 -3.213 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -3.754 -6.674 -2.245 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.060 -7.059 -2.474 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.423 -7.457 -4.859 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.151 -7.233 -4.668 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.122 -5.701 -6.537 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -2.903 -4.031 -6.002 1.00 0.00 H new ATOM 1048 N GLU A 68 -3.860 -8.946 -0.161 1.00 0.00 N ATOM 1049 CA GLU A 68 -3.581 -9.228 1.242 1.00 0.00 C ATOM 1050 C GLU A 68 -3.366 -10.719 1.471 1.00 0.00 C ATOM 1051 O GLU A 68 -2.548 -11.118 2.300 1.00 0.00 O ATOM 1052 CB GLU A 68 -4.725 -8.726 2.125 1.00 0.00 C ATOM 1053 CG GLU A 68 -4.854 -7.211 2.186 1.00 0.00 C ATOM 1054 CD GLU A 68 -3.648 -6.544 2.786 1.00 0.00 C ATOM 1055 OE1 GLU A 68 -3.175 -7.011 3.795 1.00 0.00 O ATOM 1056 OE2 GLU A 68 -3.198 -5.567 2.236 1.00 0.00 O ATOM 0 H GLU A 68 -4.810 -8.622 -0.345 1.00 0.00 H new ATOM 0 HA GLU A 68 -2.664 -8.703 1.512 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -5.662 -9.144 1.757 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -4.582 -9.107 3.136 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -5.013 -6.824 1.179 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -5.736 -6.950 2.771 1.00 0.00 H new ATOM 1063 N THR A 69 -4.106 -11.539 0.732 1.00 0.00 N ATOM 1064 CA THR A 69 -3.974 -12.987 0.829 1.00 0.00 C ATOM 1065 C THR A 69 -2.776 -13.486 0.031 1.00 0.00 C ATOM 1066 O THR A 69 -2.212 -14.538 0.332 1.00 0.00 O ATOM 1067 CB THR A 69 -5.252 -13.695 0.341 1.00 0.00 C ATOM 1068 OG1 THR A 69 -5.477 -13.380 -1.039 1.00 0.00 O ATOM 1069 CG2 THR A 69 -6.453 -13.251 1.162 1.00 0.00 C ATOM 0 H THR A 69 -4.804 -11.224 0.058 1.00 0.00 H new ATOM 0 HA THR A 69 -3.819 -13.226 1.881 1.00 0.00 H new ATOM 0 HB THR A 69 -5.123 -14.771 0.459 1.00 0.00 H new ATOM 0 HG1 THR A 69 -4.958 -12.585 -1.282 1.00 0.00 H new ATOM 0 HG21 THR A 69 -7.347 -13.761 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 69 -6.289 -13.500 2.211 1.00 0.00 H new ATOM 0 HG23 THR A 69 -6.585 -12.174 1.061 1.00 0.00 H new ATOM 1077 N ALA A 70 -2.392 -12.725 -0.988 1.00 0.00 N ATOM 1078 CA ALA A 70 -1.178 -13.011 -1.743 1.00 0.00 C ATOM 1079 C ALA A 70 0.063 -12.825 -0.880 1.00 0.00 C ATOM 1080 O ALA A 70 0.965 -13.663 -0.883 1.00 0.00 O ATOM 1081 CB ALA A 70 -1.101 -12.125 -2.978 1.00 0.00 C ATOM 0 H ALA A 70 -2.905 -11.904 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.216 -14.053 -2.059 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.189 -12.350 -3.531 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.967 -12.311 -3.614 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.092 -11.078 -2.675 1.00 0.00 H new ATOM 1087 N LEU A 71 0.104 -11.721 -0.141 1.00 0.00 N ATOM 1088 CA LEU A 71 1.217 -11.442 0.759 1.00 0.00 C ATOM 1089 C LEU A 71 1.231 -12.410 1.935 1.00 0.00 C ATOM 1090 O LEU A 71 2.292 -12.853 2.374 1.00 0.00 O ATOM 1091 CB LEU A 71 1.132 -10.000 1.276 1.00 0.00 C ATOM 1092 CG LEU A 71 1.378 -8.903 0.232 1.00 0.00 C ATOM 1093 CD1 LEU A 71 1.084 -7.542 0.847 1.00 0.00 C ATOM 1094 CD2 LEU A 71 2.817 -8.983 -0.258 1.00 0.00 C ATOM 0 H LEU A 71 -0.622 -11.004 -0.148 1.00 0.00 H new ATOM 0 HA LEU A 71 2.142 -11.571 0.197 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.144 -9.847 1.711 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.857 -9.879 2.081 1.00 0.00 H new ATOM 0 HG LEU A 71 0.715 -9.045 -0.622 1.00 0.00 H new ATOM 0 HD11 LEU A 71 1.259 -6.762 0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.044 -7.507 1.173 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.738 -7.381 1.704 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.993 -8.204 -1.000 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.496 -8.843 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.994 -9.960 -0.709 1.00 0.00 H new ATOM 1106 N SER A 72 0.046 -12.735 2.441 1.00 0.00 N ATOM 1107 CA SER A 72 -0.090 -13.741 3.487 1.00 0.00 C ATOM 1108 C SER A 72 0.362 -15.111 2.997 1.00 0.00 C ATOM 1109 O SER A 72 1.056 -15.837 3.708 1.00 0.00 O ATOM 1110 CB SER A 72 -1.529 -13.812 3.959 1.00 0.00 C ATOM 1111 OG SER A 72 -1.917 -12.613 4.570 1.00 0.00 O ATOM 0 H SER A 72 -0.835 -12.316 2.143 1.00 0.00 H new ATOM 0 HA SER A 72 0.550 -13.448 4.320 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.183 -14.021 3.113 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.644 -14.637 4.662 1.00 0.00 H new ATOM 0 HG SER A 72 -2.175 -11.964 3.882 1.00 0.00 H new ATOM 1117 N ALA A 73 -0.036 -15.458 1.778 1.00 0.00 N ATOM 1118 CA ALA A 73 0.384 -16.711 1.162 1.00 0.00 C ATOM 1119 C ALA A 73 1.895 -16.754 0.978 1.00 0.00 C ATOM 1120 O ALA A 73 2.532 -17.779 1.225 1.00 0.00 O ATOM 1121 CB ALA A 73 -0.318 -16.907 -0.174 1.00 0.00 C ATOM 0 H ALA A 73 -0.650 -14.888 1.196 1.00 0.00 H new ATOM 0 HA ALA A 73 0.102 -17.525 1.830 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.006 -17.847 -0.621 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -1.396 -16.932 -0.018 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.067 -16.082 -0.841 1.00 0.00 H new ATOM 1127 N MET A 74 2.465 -15.636 0.541 1.00 0.00 N ATOM 1128 CA MET A 74 3.909 -15.528 0.370 1.00 0.00 C ATOM 1129 C MET A 74 4.648 -15.988 1.621 1.00 0.00 C ATOM 1130 O MET A 74 5.550 -16.822 1.549 1.00 0.00 O ATOM 1131 CB MET A 74 4.294 -14.092 0.022 1.00 0.00 C ATOM 1132 CG MET A 74 5.790 -13.860 -0.131 1.00 0.00 C ATOM 1133 SD MET A 74 6.204 -12.119 -0.363 1.00 0.00 S ATOM 1134 CE MET A 74 5.770 -11.452 1.241 1.00 0.00 C ATOM 0 H MET A 74 1.948 -14.791 0.299 1.00 0.00 H new ATOM 0 HA MET A 74 4.202 -16.181 -0.452 1.00 0.00 H new ATOM 0 HB2 MET A 74 3.799 -13.811 -0.907 1.00 0.00 H new ATOM 0 HB3 MET A 74 3.914 -13.429 0.799 1.00 0.00 H new ATOM 0 HG2 MET A 74 6.304 -14.237 0.753 1.00 0.00 H new ATOM 0 HG3 MET A 74 6.157 -14.433 -0.982 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.293 -10.508 1.396 1.00 0.00 H new ATOM 0 HE2 MET A 74 4.694 -11.283 1.286 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.059 -12.159 2.019 1.00 0.00 H new ATOM 1144 N ARG A 75 4.260 -15.439 2.767 1.00 0.00 N ATOM 1145 CA ARG A 75 4.918 -15.754 4.029 1.00 0.00 C ATOM 1146 C ARG A 75 4.622 -17.183 4.463 1.00 0.00 C ATOM 1147 O ARG A 75 5.492 -17.875 4.992 1.00 0.00 O ATOM 1148 CB ARG A 75 4.470 -14.792 5.121 1.00 0.00 C ATOM 1149 CG ARG A 75 4.963 -13.364 4.956 1.00 0.00 C ATOM 1150 CD ARG A 75 4.440 -12.476 6.026 1.00 0.00 C ATOM 1151 NE ARG A 75 4.918 -11.110 5.879 1.00 0.00 N ATOM 1152 CZ ARG A 75 4.525 -10.075 6.647 1.00 0.00 C ATOM 1153 NH1 ARG A 75 3.649 -10.266 7.609 1.00 0.00 N ATOM 1154 NH2 ARG A 75 5.019 -8.869 6.434 1.00 0.00 N ATOM 0 H ARG A 75 3.492 -14.773 2.848 1.00 0.00 H new ATOM 0 HA ARG A 75 5.992 -15.650 3.873 1.00 0.00 H new ATOM 0 HB2 ARG A 75 3.381 -14.784 5.153 1.00 0.00 H new ATOM 0 HB3 ARG A 75 4.814 -15.171 6.083 1.00 0.00 H new ATOM 0 HG2 ARG A 75 6.053 -13.351 4.972 1.00 0.00 H new ATOM 0 HG3 ARG A 75 4.654 -12.982 3.983 1.00 0.00 H new ATOM 0 HD2 ARG A 75 3.350 -12.484 6.004 1.00 0.00 H new ATOM 0 HD3 ARG A 75 4.742 -12.863 6.999 1.00 0.00 H new ATOM 0 HE ARG A 75 5.599 -10.922 5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 75 3.267 -11.197 7.774 1.00 0.00 H new ATOM 0 HH12 ARG A 75 3.351 -9.483 8.191 1.00 0.00 H new ATOM 0 HH21 ARG A 75 5.698 -8.721 5.688 1.00 0.00 H new ATOM 0 HH22 ARG A 75 4.721 -8.086 7.016 1.00 0.00 H new ATOM 1168 N ASN A 76 3.388 -17.622 4.236 1.00 0.00 N ATOM 1169 CA ASN A 76 2.944 -18.932 4.695 1.00 0.00 C ATOM 1170 C ASN A 76 3.552 -20.046 3.853 1.00 0.00 C ATOM 1171 O ASN A 76 3.864 -21.123 4.362 1.00 0.00 O ATOM 1172 CB ASN A 76 1.429 -19.018 4.681 1.00 0.00 C ATOM 1173 CG ASN A 76 0.794 -18.220 5.785 1.00 0.00 C ATOM 1174 OD1 ASN A 76 1.436 -17.921 6.799 1.00 0.00 O ATOM 1175 ND2 ASN A 76 -0.454 -17.869 5.609 1.00 0.00 N ATOM 0 H ASN A 76 2.677 -17.088 3.736 1.00 0.00 H new ATOM 0 HA ASN A 76 3.289 -19.062 5.721 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.058 -18.662 3.720 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.127 -20.061 4.772 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.937 -17.326 6.325 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.944 -18.138 4.756 1.00 0.00 H new ATOM 1182 N LEU A 77 3.718 -19.781 2.562 1.00 0.00 N ATOM 1183 CA LEU A 77 4.191 -20.795 1.626 1.00 0.00 C ATOM 1184 C LEU A 77 5.713 -20.853 1.600 1.00 0.00 C ATOM 1185 O LEU A 77 6.299 -21.911 1.368 1.00 0.00 O ATOM 1186 CB LEU A 77 3.660 -20.504 0.217 1.00 0.00 C ATOM 1187 CG LEU A 77 2.137 -20.581 0.051 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.756 -20.144 -1.357 1.00 0.00 C ATOM 1189 CD2 LEU A 77 1.667 -22.001 0.328 1.00 0.00 C ATOM 0 H LEU A 77 3.532 -18.872 2.139 1.00 0.00 H new ATOM 0 HA LEU A 77 3.816 -21.762 1.962 1.00 0.00 H new ATOM 0 HB2 LEU A 77 3.989 -19.507 -0.077 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.119 -21.208 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 77 1.651 -19.913 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.674 -20.199 -1.475 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.087 -19.119 -1.522 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.234 -20.801 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.585 -22.056 0.210 1.00 0.00 H new ATOM 0 HD22 LEU A 77 2.144 -22.685 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 77 1.935 -22.281 1.347 1.00 0.00 H new ATOM 1201 N ASN A 78 6.348 -19.711 1.839 1.00 0.00 N ATOM 1202 CA ASN A 78 7.804 -19.634 1.859 1.00 0.00 C ATOM 1203 C ASN A 78 8.380 -20.396 3.045 1.00 0.00 C ATOM 1204 O ASN A 78 8.250 -19.968 4.192 1.00 0.00 O ATOM 1205 CB ASN A 78 8.262 -18.187 1.880 1.00 0.00 C ATOM 1206 CG ASN A 78 9.757 -18.052 1.798 1.00 0.00 C ATOM 1207 OD1 ASN A 78 10.495 -18.748 2.504 1.00 0.00 O ATOM 1208 ND2 ASN A 78 10.218 -17.170 0.949 1.00 0.00 N ATOM 0 H ASN A 78 5.877 -18.825 2.022 1.00 0.00 H new ATOM 0 HA ASN A 78 8.177 -20.102 0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 78 7.807 -17.654 1.046 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.908 -17.711 2.794 1.00 0.00 H new ATOM 0 HD21 ASN A 78 11.224 -17.035 0.850 1.00 0.00 H new ATOM 0 HD22 ASN A 78 9.571 -16.617 0.386 1.00 0.00 H new ATOM 1215 N GLY A 79 9.018 -21.527 2.763 1.00 0.00 N ATOM 1216 CA GLY A 79 9.585 -22.368 3.809 1.00 0.00 C ATOM 1217 C GLY A 79 8.728 -23.605 4.047 1.00 0.00 C ATOM 1218 O GLY A 79 9.089 -24.481 4.832 1.00 0.00 O ATOM 0 H GLY A 79 9.155 -21.882 1.817 1.00 0.00 H new ATOM 0 HA2 GLY A 79 10.594 -22.670 3.529 1.00 0.00 H new ATOM 0 HA3 GLY A 79 9.668 -21.797 4.734 1.00 0.00 H new ATOM 1222 N ARG A 80 7.590 -23.670 3.363 1.00 0.00 N ATOM 1223 CA ARG A 80 6.682 -24.803 3.494 1.00 0.00 C ATOM 1224 C ARG A 80 7.208 -26.021 2.746 1.00 0.00 C ATOM 1225 O ARG A 80 7.708 -25.905 1.626 1.00 0.00 O ATOM 1226 CB ARG A 80 5.300 -24.445 2.967 1.00 0.00 C ATOM 1227 CG ARG A 80 4.240 -25.515 3.173 1.00 0.00 C ATOM 1228 CD ARG A 80 2.912 -25.077 2.672 1.00 0.00 C ATOM 1229 NE ARG A 80 1.871 -26.045 2.976 1.00 0.00 N ATOM 1230 CZ ARG A 80 0.620 -26.005 2.477 1.00 0.00 C ATOM 1231 NH1 ARG A 80 0.271 -25.042 1.652 1.00 0.00 N ATOM 1232 NH2 ARG A 80 -0.256 -26.935 2.816 1.00 0.00 N ATOM 0 H ARG A 80 7.275 -22.951 2.712 1.00 0.00 H new ATOM 0 HA ARG A 80 6.613 -25.046 4.554 1.00 0.00 H new ATOM 0 HB2 ARG A 80 4.968 -23.527 3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 80 5.378 -24.231 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 80 4.540 -26.428 2.659 1.00 0.00 H new ATOM 0 HG3 ARG A 80 4.167 -25.756 4.234 1.00 0.00 H new ATOM 0 HD2 ARG A 80 2.655 -24.116 3.117 1.00 0.00 H new ATOM 0 HD3 ARG A 80 2.963 -24.925 1.594 1.00 0.00 H new ATOM 0 HE ARG A 80 2.104 -26.808 3.612 1.00 0.00 H new ATOM 0 HH11 ARG A 80 0.947 -24.325 1.390 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -0.676 -25.012 1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 80 0.015 -27.682 3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -1.203 -26.905 2.439 1.00 0.00 H new ATOM 1246 N GLU A 81 7.093 -27.188 3.369 1.00 0.00 N ATOM 1247 CA GLU A 81 7.528 -28.434 2.750 1.00 0.00 C ATOM 1248 C GLU A 81 6.449 -29.002 1.837 1.00 0.00 C ATOM 1249 O GLU A 81 5.291 -29.135 2.235 1.00 0.00 O ATOM 1250 CB GLU A 81 7.895 -29.463 3.822 1.00 0.00 C ATOM 1251 CG GLU A 81 8.432 -30.777 3.274 1.00 0.00 C ATOM 1252 CD GLU A 81 8.800 -31.755 4.355 1.00 0.00 C ATOM 1253 OE1 GLU A 81 8.676 -31.413 5.506 1.00 0.00 O ATOM 1254 OE2 GLU A 81 9.207 -32.845 4.028 1.00 0.00 O ATOM 0 H GLU A 81 6.701 -27.297 4.304 1.00 0.00 H new ATOM 0 HA GLU A 81 8.409 -28.215 2.146 1.00 0.00 H new ATOM 0 HB2 GLU A 81 8.642 -29.028 4.486 1.00 0.00 H new ATOM 0 HB3 GLU A 81 7.012 -29.669 4.428 1.00 0.00 H new ATOM 0 HG2 GLU A 81 7.682 -31.227 2.624 1.00 0.00 H new ATOM 0 HG3 GLU A 81 9.309 -30.577 2.658 1.00 0.00 H new ATOM 1261 N PHE A 82 6.834 -29.335 0.610 1.00 0.00 N ATOM 1262 CA PHE A 82 5.916 -29.949 -0.342 1.00 0.00 C ATOM 1263 C PHE A 82 6.615 -31.018 -1.172 1.00 0.00 C ATOM 1264 O PHE A 82 7.499 -30.715 -1.973 1.00 0.00 O ATOM 1265 CB PHE A 82 5.317 -28.888 -1.267 1.00 0.00 C ATOM 1266 CG PHE A 82 4.328 -29.436 -2.257 1.00 0.00 C ATOM 1267 CD1 PHE A 82 3.325 -30.303 -1.849 1.00 0.00 C ATOM 1268 CD2 PHE A 82 4.398 -29.085 -3.596 1.00 0.00 C ATOM 1269 CE1 PHE A 82 2.415 -30.807 -2.759 1.00 0.00 C ATOM 1270 CE2 PHE A 82 3.489 -29.587 -4.507 1.00 0.00 C ATOM 1271 CZ PHE A 82 2.496 -30.449 -4.087 1.00 0.00 C ATOM 0 H PHE A 82 7.778 -29.190 0.251 1.00 0.00 H new ATOM 0 HA PHE A 82 5.117 -30.423 0.228 1.00 0.00 H new ATOM 0 HB2 PHE A 82 4.827 -28.126 -0.661 1.00 0.00 H new ATOM 0 HB3 PHE A 82 6.124 -28.394 -1.809 1.00 0.00 H new ATOM 0 HD1 PHE A 82 3.254 -30.587 -0.809 1.00 0.00 H new ATOM 0 HD2 PHE A 82 5.172 -28.411 -3.931 1.00 0.00 H new ATOM 0 HE1 PHE A 82 1.640 -31.482 -2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 82 3.555 -29.305 -5.547 1.00 0.00 H new ATOM 0 HZ PHE A 82 1.784 -30.842 -4.798 1.00 0.00 H new ATOM 1281 N SER A 83 6.215 -32.269 -0.974 1.00 0.00 N ATOM 1282 CA SER A 83 6.843 -33.392 -1.660 1.00 0.00 C ATOM 1283 C SER A 83 8.350 -33.398 -1.441 1.00 0.00 C ATOM 1284 O SER A 83 9.117 -33.747 -2.339 1.00 0.00 O ATOM 1285 CB SER A 83 6.539 -33.333 -3.144 1.00 0.00 C ATOM 1286 OG SER A 83 6.692 -34.593 -3.739 1.00 0.00 O ATOM 0 H SER A 83 5.458 -32.531 -0.343 1.00 0.00 H new ATOM 0 HA SER A 83 6.433 -34.312 -1.243 1.00 0.00 H new ATOM 0 HB2 SER A 83 5.520 -32.976 -3.296 1.00 0.00 H new ATOM 0 HB3 SER A 83 7.203 -32.616 -3.627 1.00 0.00 H new ATOM 0 HG SER A 83 7.128 -34.492 -4.611 1.00 0.00 H new ATOM 1292 N GLY A 84 8.770 -33.009 -0.242 1.00 0.00 N ATOM 1293 CA GLY A 84 10.172 -33.106 0.148 1.00 0.00 C ATOM 1294 C GLY A 84 10.922 -31.818 -0.165 1.00 0.00 C ATOM 1295 O GLY A 84 12.060 -31.631 0.264 1.00 0.00 O ATOM 0 H GLY A 84 8.159 -32.623 0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 84 10.241 -33.320 1.215 1.00 0.00 H new ATOM 0 HA3 GLY A 84 10.641 -33.939 -0.376 1.00 0.00 H new ATOM 1299 N ARG A 85 10.277 -30.931 -0.916 1.00 0.00 N ATOM 1300 CA ARG A 85 10.905 -29.686 -1.340 1.00 0.00 C ATOM 1301 C ARG A 85 10.552 -28.542 -0.398 1.00 0.00 C ATOM 1302 O ARG A 85 9.433 -28.464 0.108 1.00 0.00 O ATOM 1303 CB ARG A 85 10.474 -29.324 -2.754 1.00 0.00 C ATOM 1304 CG ARG A 85 11.235 -30.043 -3.858 1.00 0.00 C ATOM 1305 CD ARG A 85 10.833 -31.469 -3.962 1.00 0.00 C ATOM 1306 NE ARG A 85 11.121 -32.018 -5.277 1.00 0.00 N ATOM 1307 CZ ARG A 85 10.560 -33.136 -5.780 1.00 0.00 C ATOM 1308 NH1 ARG A 85 9.686 -33.810 -5.066 1.00 0.00 N ATOM 1309 NH2 ARG A 85 10.890 -33.554 -6.989 1.00 0.00 N ATOM 0 H ARG A 85 9.319 -31.052 -1.243 1.00 0.00 H new ATOM 0 HA ARG A 85 11.984 -29.840 -1.317 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.412 -29.543 -2.862 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.593 -28.249 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.054 -29.543 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 85 12.306 -29.980 -3.663 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.357 -32.050 -3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.767 -31.562 -3.755 1.00 0.00 H new ATOM 0 HE ARG A 85 11.795 -31.522 -5.860 1.00 0.00 H new ATOM 0 HH11 ARG A 85 9.433 -33.487 -4.132 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.261 -34.656 -5.446 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.569 -33.031 -7.542 1.00 0.00 H new ATOM 0 HH22 ARG A 85 10.466 -34.400 -7.370 1.00 0.00 H new ATOM 1323 N ALA A 86 11.515 -27.656 -0.165 1.00 0.00 N ATOM 1324 CA ALA A 86 11.266 -26.437 0.595 1.00 0.00 C ATOM 1325 C ALA A 86 10.931 -25.272 -0.327 1.00 0.00 C ATOM 1326 O ALA A 86 11.800 -24.751 -1.026 1.00 0.00 O ATOM 1327 CB ALA A 86 12.471 -26.097 1.460 1.00 0.00 C ATOM 0 H ALA A 86 12.476 -27.760 -0.492 1.00 0.00 H new ATOM 0 HA ALA A 86 10.406 -26.613 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.270 -25.185 2.021 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.663 -26.915 2.154 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.344 -25.947 0.825 1.00 0.00 H new ATOM 1333 N LEU A 87 9.666 -24.867 -0.325 1.00 0.00 N ATOM 1334 CA LEU A 87 9.178 -23.872 -1.272 1.00 0.00 C ATOM 1335 C LEU A 87 9.788 -22.504 -0.996 1.00 0.00 C ATOM 1336 O LEU A 87 9.890 -22.079 0.155 1.00 0.00 O ATOM 1337 CB LEU A 87 7.648 -23.779 -1.203 1.00 0.00 C ATOM 1338 CG LEU A 87 6.886 -25.039 -1.633 1.00 0.00 C ATOM 1339 CD1 LEU A 87 5.396 -24.840 -1.389 1.00 0.00 C ATOM 1340 CD2 LEU A 87 7.166 -25.326 -3.101 1.00 0.00 C ATOM 0 H LEU A 87 8.959 -25.213 0.323 1.00 0.00 H new ATOM 0 HA LEU A 87 9.477 -24.187 -2.272 1.00 0.00 H new ATOM 0 HB2 LEU A 87 7.363 -23.535 -0.180 1.00 0.00 H new ATOM 0 HB3 LEU A 87 7.324 -22.949 -1.830 1.00 0.00 H new ATOM 0 HG LEU A 87 7.220 -25.895 -1.046 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.855 -25.735 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 87 5.222 -24.655 -0.329 1.00 0.00 H new ATOM 0 HD13 LEU A 87 5.043 -23.987 -1.969 1.00 0.00 H new ATOM 0 HD21 LEU A 87 6.625 -26.221 -3.406 1.00 0.00 H new ATOM 0 HD22 LEU A 87 6.839 -24.480 -3.706 1.00 0.00 H new ATOM 0 HD23 LEU A 87 8.235 -25.482 -3.244 1.00 0.00 H new ATOM 1352 N ARG A 88 10.193 -21.817 -2.059 1.00 0.00 N ATOM 1353 CA ARG A 88 10.720 -20.463 -1.941 1.00 0.00 C ATOM 1354 C ARG A 88 9.816 -19.457 -2.643 1.00 0.00 C ATOM 1355 O ARG A 88 9.838 -19.338 -3.868 1.00 0.00 O ATOM 1356 CB ARG A 88 12.120 -20.379 -2.531 1.00 0.00 C ATOM 1357 CG ARG A 88 12.788 -19.019 -2.404 1.00 0.00 C ATOM 1358 CD ARG A 88 14.235 -19.084 -2.735 1.00 0.00 C ATOM 1359 NE ARG A 88 14.457 -19.277 -4.159 1.00 0.00 N ATOM 1360 CZ ARG A 88 14.553 -18.279 -5.060 1.00 0.00 C ATOM 1361 NH1 ARG A 88 14.445 -17.029 -4.670 1.00 0.00 N ATOM 1362 NH2 ARG A 88 14.757 -18.559 -6.336 1.00 0.00 N ATOM 0 H ARG A 88 10.166 -22.177 -3.013 1.00 0.00 H new ATOM 0 HA ARG A 88 10.760 -20.219 -0.879 1.00 0.00 H new ATOM 0 HB2 ARG A 88 12.749 -21.124 -2.043 1.00 0.00 H new ATOM 0 HB3 ARG A 88 12.070 -20.646 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 88 12.295 -18.308 -3.067 1.00 0.00 H new ATOM 0 HG3 ARG A 88 12.664 -18.646 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 88 14.723 -18.164 -2.413 1.00 0.00 H new ATOM 0 HD3 ARG A 88 14.698 -19.901 -2.181 1.00 0.00 H new ATOM 0 HE ARG A 88 14.546 -20.234 -4.500 1.00 0.00 H new ATOM 0 HH11 ARG A 88 14.289 -16.814 -3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 88 14.518 -16.274 -5.352 1.00 0.00 H new ATOM 0 HH21 ARG A 88 14.842 -19.530 -6.638 1.00 0.00 H new ATOM 0 HH22 ARG A 88 14.830 -17.804 -7.018 1.00 0.00 H new ATOM 1376 N VAL A 89 9.022 -18.735 -1.859 1.00 0.00 N ATOM 1377 CA VAL A 89 7.956 -17.904 -2.406 1.00 0.00 C ATOM 1378 C VAL A 89 8.194 -16.431 -2.099 1.00 0.00 C ATOM 1379 O VAL A 89 8.272 -16.034 -0.936 1.00 0.00 O ATOM 1380 CB VAL A 89 6.595 -18.333 -1.827 1.00 0.00 C ATOM 1381 CG1 VAL A 89 5.475 -17.489 -2.418 1.00 0.00 C ATOM 1382 CG2 VAL A 89 6.358 -19.810 -2.101 1.00 0.00 C ATOM 0 H VAL A 89 9.097 -18.709 -0.842 1.00 0.00 H new ATOM 0 HA VAL A 89 7.952 -18.039 -3.488 1.00 0.00 H new ATOM 0 HB VAL A 89 6.604 -18.175 -0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.520 -17.806 -1.998 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.646 -16.439 -2.180 1.00 0.00 H new ATOM 0 HG13 VAL A 89 5.455 -17.617 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.394 -20.106 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.362 -19.986 -3.177 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.148 -20.398 -1.634 1.00 0.00 H new ATOM 1392 N ASP A 90 8.308 -15.624 -3.148 1.00 0.00 N ATOM 1393 CA ASP A 90 8.512 -14.189 -2.993 1.00 0.00 C ATOM 1394 C ASP A 90 7.427 -13.398 -3.712 1.00 0.00 C ATOM 1395 O ASP A 90 6.593 -13.967 -4.415 1.00 0.00 O ATOM 1396 CB ASP A 90 9.888 -13.781 -3.526 1.00 0.00 C ATOM 1397 CG ASP A 90 11.035 -14.352 -2.703 1.00 0.00 C ATOM 1398 OD1 ASP A 90 10.930 -14.360 -1.499 1.00 0.00 O ATOM 1399 OD2 ASP A 90 12.005 -14.773 -3.286 1.00 0.00 O ATOM 0 H ASP A 90 8.262 -15.940 -4.117 1.00 0.00 H new ATOM 0 HA ASP A 90 8.459 -13.961 -1.928 1.00 0.00 H new ATOM 0 HB2 ASP A 90 9.986 -14.116 -4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.961 -12.693 -3.536 1.00 0.00 H new ATOM 1404 N ASN A 91 7.444 -12.081 -3.531 1.00 0.00 N ATOM 1405 CA ASN A 91 6.477 -11.206 -4.183 1.00 0.00 C ATOM 1406 C ASN A 91 6.753 -11.096 -5.677 1.00 0.00 C ATOM 1407 O ASN A 91 7.842 -10.695 -6.089 1.00 0.00 O ATOM 1408 CB ASN A 91 6.479 -9.833 -3.537 1.00 0.00 C ATOM 1409 CG ASN A 91 5.375 -8.951 -4.050 1.00 0.00 C ATOM 1410 OD1 ASN A 91 4.957 -9.069 -5.207 1.00 0.00 O ATOM 1411 ND2 ASN A 91 4.894 -8.069 -3.211 1.00 0.00 N ATOM 0 H ASN A 91 8.118 -11.596 -2.938 1.00 0.00 H new ATOM 0 HA ASN A 91 5.488 -11.647 -4.057 1.00 0.00 H new ATOM 0 HB2 ASN A 91 6.379 -9.943 -2.457 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.439 -9.351 -3.720 1.00 0.00 H new ATOM 0 HD21 ASN A 91 4.143 -7.444 -3.503 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.270 -8.007 -2.265 1.00 0.00 H new ATOM 1418 N ALA A 92 5.761 -11.454 -6.485 1.00 0.00 N ATOM 1419 CA ALA A 92 5.943 -11.543 -7.929 1.00 0.00 C ATOM 1420 C ALA A 92 6.366 -10.202 -8.514 1.00 0.00 C ATOM 1421 O ALA A 92 7.026 -10.147 -9.552 1.00 0.00 O ATOM 1422 CB ALA A 92 4.664 -12.031 -8.595 1.00 0.00 C ATOM 0 H ALA A 92 4.821 -11.688 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 92 6.739 -12.262 -8.124 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.815 -12.092 -9.673 1.00 0.00 H new ATOM 0 HB2 ALA A 92 4.406 -13.017 -8.208 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.854 -11.334 -8.382 1.00 0.00 H new ATOM 1428 N ALA A 93 5.982 -9.121 -7.843 1.00 0.00 N ATOM 1429 CA ALA A 93 6.220 -7.777 -8.354 1.00 0.00 C ATOM 1430 C ALA A 93 7.660 -7.343 -8.114 1.00 0.00 C ATOM 1431 O ALA A 93 8.100 -6.311 -8.620 1.00 0.00 O ATOM 1432 CB ALA A 93 5.255 -6.788 -7.714 1.00 0.00 C ATOM 0 H ALA A 93 5.504 -9.150 -6.943 1.00 0.00 H new ATOM 0 HA ALA A 93 6.048 -7.791 -9.430 1.00 0.00 H new ATOM 0 HB1 ALA A 93 5.445 -5.789 -8.106 1.00 0.00 H new ATOM 0 HB2 ALA A 93 4.230 -7.079 -7.944 1.00 0.00 H new ATOM 0 HB3 ALA A 93 5.398 -6.787 -6.633 1.00 0.00 H new