USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 15 HIS : no HD1:sc= -0.0795 X(o=-0.08,f=-0.52) USER MOD Single : A 26 GLN : amide:sc= -0.218 K(o=-0.22,f=-2.1!) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 180:sc= 0.00745 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -25:sc= 0.0377 USER MOD Single : A 38 SER OG : rot 180:sc= -0.558 USER MOD Single : A 41 ASN : amide:sc= -0.224 X(o=-0.22,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.47 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 55 HIS : no HD1:sc= -0.0246 X(o=-0.025,f=-0.12) USER MOD Single : A 57 ASN : amide:sc= -0.292 K(o=-0.29,f=-1.7!) USER MOD Single : A 60 ASN : amide:sc= -0.408 K(o=-0.41,f=-5.9!) USER MOD Single : A 65 GLN : amide:sc= -1.23 K(o=-1.2,f=-1.8) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.334 USER MOD Single : A 70 HIS : no HD1:sc= -2.85 X(o=-2.8,f=-2.7!) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.24 K(o=-1.2,f=-2.4!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 50:sc= 0.0237 USER MOD Single : A 84 THR OG1 : rot -24:sc= 0.554 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0405 K(o=-0.041,f=-2!) USER MOD Single : A 95 SER OG : rot 34:sc= 0.257 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.111 -7.290 10.110 1.00 0.00 N ATOM 174 CA VAL A 14 -15.388 -6.053 9.390 1.00 0.00 C ATOM 175 C VAL A 14 -16.401 -6.281 8.274 1.00 0.00 C ATOM 176 O VAL A 14 -16.355 -7.294 7.576 1.00 0.00 O ATOM 177 CB VAL A 14 -14.103 -5.455 8.786 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.431 -4.253 7.914 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.125 -5.073 9.888 1.00 0.00 C ATOM 0 HA VAL A 14 -15.801 -5.352 10.115 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.632 -6.211 8.158 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.511 -3.844 7.496 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.092 -4.561 7.104 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.926 -3.491 8.516 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.223 -4.652 9.444 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.586 -4.334 10.543 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.865 -5.959 10.467 1.00 0.00 H new ATOM 189 N HIS A 15 -17.317 -5.331 8.111 1.00 0.00 N ATOM 190 CA HIS A 15 -18.343 -5.428 7.078 1.00 0.00 C ATOM 191 C HIS A 15 -18.428 -4.134 6.274 1.00 0.00 C ATOM 192 O HIS A 15 -18.936 -3.123 6.759 1.00 0.00 O ATOM 193 CB HIS A 15 -19.701 -5.741 7.706 1.00 0.00 C ATOM 194 CG HIS A 15 -19.844 -7.167 8.144 1.00 0.00 C ATOM 195 ND1 HIS A 15 -19.186 -8.212 7.531 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.574 -7.718 9.142 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.506 -9.344 8.131 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.347 -9.072 9.113 1.00 0.00 N ATOM 0 H HIS A 15 -17.370 -4.486 8.680 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.068 -6.238 6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.854 -5.088 8.566 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.487 -5.510 6.987 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.216 -7.191 9.833 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.142 -10.325 7.864 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.760 -9.756 9.746 1.00 0.00 H new ATOM 206 N ILE A 16 -17.926 -4.174 5.044 1.00 0.00 N ATOM 207 CA ILE A 16 -17.946 -3.005 4.174 1.00 0.00 C ATOM 208 C ILE A 16 -19.365 -2.475 3.997 1.00 0.00 C ATOM 209 O ILE A 16 -20.143 -3.007 3.204 1.00 0.00 O ATOM 210 CB ILE A 16 -17.353 -3.324 2.789 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.917 -3.834 2.930 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.399 -2.093 1.896 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.965 -2.806 3.501 1.00 0.00 C ATOM 0 H ILE A 16 -17.501 -5.003 4.628 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.334 -2.243 4.656 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.953 -4.107 2.325 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.914 -4.716 3.571 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.554 -4.150 1.952 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.976 -2.335 0.921 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.433 -1.771 1.773 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.821 -1.290 2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.966 -3.236 3.573 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.938 -1.933 2.849 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.304 -2.508 4.493 1.00 0.00 H new ATOM 225 N ILE A 17 -19.695 -1.423 4.739 1.00 0.00 N ATOM 226 CA ILE A 17 -21.019 -0.819 4.661 1.00 0.00 C ATOM 227 C ILE A 17 -21.194 -0.042 3.361 1.00 0.00 C ATOM 228 O ILE A 17 -22.051 -0.370 2.541 1.00 0.00 O ATOM 229 CB ILE A 17 -21.277 0.125 5.850 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.876 -0.550 7.163 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.740 0.541 5.888 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.085 0.324 8.380 1.00 0.00 C ATOM 0 H ILE A 17 -19.064 -0.972 5.401 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.741 -1.635 4.692 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.668 1.020 5.723 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.452 -1.468 7.281 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.826 -0.838 7.108 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.907 1.208 6.734 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.996 1.057 4.963 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.367 -0.344 5.995 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.780 -0.219 9.275 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.487 1.230 8.284 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.139 0.591 8.460 1.00 0.00 H new ATOM 244 N GLU A 18 -20.374 0.988 3.179 1.00 0.00 N ATOM 245 CA GLU A 18 -20.438 1.812 1.977 1.00 0.00 C ATOM 246 C GLU A 18 -19.080 1.867 1.283 1.00 0.00 C ATOM 247 O GLU A 18 -18.328 2.828 1.444 1.00 0.00 O ATOM 248 CB GLU A 18 -20.903 3.227 2.326 1.00 0.00 C ATOM 249 CG GLU A 18 -22.163 3.262 3.175 1.00 0.00 C ATOM 250 CD GLU A 18 -22.982 4.518 2.952 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.472 5.449 2.294 1.00 0.00 O ATOM 252 OE2 GLU A 18 -24.133 4.570 3.435 1.00 0.00 O ATOM 0 H GLU A 18 -19.658 1.272 3.848 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.157 1.359 1.295 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.103 3.743 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.081 3.780 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.774 2.389 2.947 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.889 3.193 4.228 1.00 0.00 H new ATOM 259 N ASP A 19 -18.774 0.830 0.512 1.00 0.00 N ATOM 260 CA ASP A 19 -17.507 0.760 -0.208 1.00 0.00 C ATOM 261 C ASP A 19 -17.279 2.024 -1.030 1.00 0.00 C ATOM 262 O ASP A 19 -18.226 2.731 -1.378 1.00 0.00 O ATOM 263 CB ASP A 19 -17.482 -0.468 -1.119 1.00 0.00 C ATOM 264 CG ASP A 19 -16.071 -0.895 -1.476 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.475 -0.275 -2.381 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.564 -1.850 -0.851 1.00 0.00 O ATOM 0 H ASP A 19 -19.385 0.026 0.369 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.704 0.676 0.525 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -17.995 -1.294 -0.625 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.035 -0.250 -2.033 1.00 0.00 H new ATOM 271 N LEU A 20 -16.017 2.304 -1.338 1.00 0.00 N ATOM 272 CA LEU A 20 -15.664 3.484 -2.119 1.00 0.00 C ATOM 273 C LEU A 20 -16.462 3.536 -3.418 1.00 0.00 C ATOM 274 O LEU A 20 -17.156 2.583 -3.770 1.00 0.00 O ATOM 275 CB LEU A 20 -14.166 3.485 -2.428 1.00 0.00 C ATOM 276 CG LEU A 20 -13.235 3.264 -1.235 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.072 2.364 -1.626 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.726 4.594 -0.701 1.00 0.00 C ATOM 0 H LEU A 20 -15.222 1.730 -1.059 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.908 4.367 -1.528 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -13.967 2.709 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -13.911 4.439 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.800 2.771 -0.444 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.420 2.218 -0.765 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.455 1.399 -1.960 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.507 2.829 -2.434 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.065 4.417 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.177 5.115 -1.486 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.570 5.205 -0.382 1.00 0.00 H new ATOM 290 N GLU A 21 -16.356 4.656 -4.127 1.00 0.00 N ATOM 291 CA GLU A 21 -17.068 4.831 -5.388 1.00 0.00 C ATOM 292 C GLU A 21 -16.089 5.009 -6.545 1.00 0.00 C ATOM 293 O GLU A 21 -15.875 4.092 -7.338 1.00 0.00 O ATOM 294 CB GLU A 21 -18.004 6.039 -5.307 1.00 0.00 C ATOM 295 CG GLU A 21 -19.124 5.874 -4.294 1.00 0.00 C ATOM 296 CD GLU A 21 -20.372 6.649 -4.672 1.00 0.00 C ATOM 297 OE1 GLU A 21 -20.747 6.623 -5.863 1.00 0.00 O ATOM 298 OE2 GLU A 21 -20.972 7.280 -3.778 1.00 0.00 O ATOM 0 H GLU A 21 -15.785 5.454 -3.850 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.659 3.934 -5.570 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.421 6.923 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.438 6.218 -6.291 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.372 4.817 -4.201 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.776 6.207 -3.316 1.00 0.00 H new ATOM 305 N ASP A 22 -15.497 6.195 -6.634 1.00 0.00 N ATOM 306 CA ASP A 22 -14.540 6.495 -7.693 1.00 0.00 C ATOM 307 C ASP A 22 -14.022 7.924 -7.569 1.00 0.00 C ATOM 308 O ASP A 22 -14.602 8.747 -6.860 1.00 0.00 O ATOM 309 CB ASP A 22 -15.185 6.290 -9.065 1.00 0.00 C ATOM 310 CG ASP A 22 -16.590 6.855 -9.134 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.728 8.093 -9.220 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.553 6.059 -9.101 1.00 0.00 O ATOM 0 H ASP A 22 -15.663 6.965 -5.985 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.696 5.812 -7.591 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.568 6.764 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.213 5.225 -9.295 1.00 0.00 H new ATOM 317 N VAL A 23 -12.924 8.212 -8.261 1.00 0.00 N ATOM 318 CA VAL A 23 -12.327 9.542 -8.229 1.00 0.00 C ATOM 319 C VAL A 23 -11.613 9.856 -9.539 1.00 0.00 C ATOM 320 O VAL A 23 -11.018 8.975 -10.160 1.00 0.00 O ATOM 321 CB VAL A 23 -11.327 9.679 -7.066 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.682 11.057 -7.075 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.016 9.413 -5.736 1.00 0.00 C ATOM 0 H VAL A 23 -12.430 7.542 -8.851 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.142 10.252 -8.084 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.541 8.935 -7.197 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -9.979 11.135 -6.246 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.152 11.204 -8.016 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.453 11.820 -6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.294 9.514 -4.926 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -12.824 10.131 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.425 8.403 -5.734 1.00 0.00 H new ATOM 333 N ASP A 24 -11.676 11.117 -9.952 1.00 0.00 N ATOM 334 CA ASP A 24 -11.034 11.548 -11.188 1.00 0.00 C ATOM 335 C ASP A 24 -10.734 13.044 -11.152 1.00 0.00 C ATOM 336 O ASP A 24 -11.632 13.871 -11.306 1.00 0.00 O ATOM 337 CB ASP A 24 -11.922 11.223 -12.390 1.00 0.00 C ATOM 338 CG ASP A 24 -13.318 11.797 -12.251 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.081 11.301 -11.396 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.648 12.743 -12.997 1.00 0.00 O ATOM 0 H ASP A 24 -12.165 11.858 -9.449 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.092 11.009 -11.286 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.460 11.615 -13.296 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -11.987 10.141 -12.508 1.00 0.00 H new ATOM 345 N VAL A 25 -9.466 13.383 -10.945 1.00 0.00 N ATOM 346 CA VAL A 25 -9.048 14.779 -10.887 1.00 0.00 C ATOM 347 C VAL A 25 -7.618 14.945 -11.390 1.00 0.00 C ATOM 348 O VAL A 25 -6.863 13.977 -11.474 1.00 0.00 O ATOM 349 CB VAL A 25 -9.144 15.335 -9.454 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.550 15.151 -8.903 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.117 14.666 -8.553 1.00 0.00 C ATOM 0 H VAL A 25 -8.710 12.711 -10.815 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.725 15.339 -11.532 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.928 16.403 -9.482 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.599 15.550 -7.890 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.261 15.681 -9.536 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.799 14.090 -8.888 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.199 15.071 -7.544 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.299 13.592 -8.529 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.116 14.855 -8.940 1.00 0.00 H new ATOM 361 N GLN A 26 -7.254 16.179 -11.723 1.00 0.00 N ATOM 362 CA GLN A 26 -5.914 16.472 -12.218 1.00 0.00 C ATOM 363 C GLN A 26 -4.862 16.167 -11.157 1.00 0.00 C ATOM 364 O GLN A 26 -5.036 16.500 -9.985 1.00 0.00 O ATOM 365 CB GLN A 26 -5.814 17.937 -12.646 1.00 0.00 C ATOM 366 CG GLN A 26 -5.689 18.904 -11.479 1.00 0.00 C ATOM 367 CD GLN A 26 -6.357 20.238 -11.752 1.00 0.00 C ATOM 368 OE1 GLN A 26 -7.263 20.333 -12.580 1.00 0.00 O ATOM 369 NE2 GLN A 26 -5.911 21.277 -11.056 1.00 0.00 N ATOM 0 H GLN A 26 -7.868 16.991 -11.659 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.727 15.835 -13.082 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.951 18.058 -13.301 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.697 18.197 -13.230 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -6.133 18.455 -10.591 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.634 19.068 -11.260 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -5.158 21.152 -10.380 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -6.322 22.200 -11.198 1.00 0.00 H new ATOM 378 N GLU A 27 -3.772 15.532 -11.575 1.00 0.00 N ATOM 379 CA GLU A 27 -2.694 15.181 -10.659 1.00 0.00 C ATOM 380 C GLU A 27 -2.229 16.403 -9.872 1.00 0.00 C ATOM 381 O GLU A 27 -2.269 17.527 -10.370 1.00 0.00 O ATOM 382 CB GLU A 27 -1.516 14.578 -11.428 1.00 0.00 C ATOM 383 CG GLU A 27 -0.586 15.618 -12.029 1.00 0.00 C ATOM 384 CD GLU A 27 0.664 15.833 -11.197 1.00 0.00 C ATOM 385 OE1 GLU A 27 1.626 15.053 -11.360 1.00 0.00 O ATOM 386 OE2 GLU A 27 0.680 16.780 -10.383 1.00 0.00 O ATOM 0 H GLU A 27 -3.612 15.250 -12.542 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.077 14.441 -9.956 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.945 13.937 -10.757 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.901 13.942 -12.226 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.300 15.307 -13.034 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.119 16.563 -12.128 1.00 0.00 H new ATOM 393 N GLY A 28 -1.790 16.174 -8.638 1.00 0.00 N ATOM 394 CA GLY A 28 -1.325 17.265 -7.802 1.00 0.00 C ATOM 395 C GLY A 28 -2.397 17.767 -6.855 1.00 0.00 C ATOM 396 O GLY A 28 -2.095 18.414 -5.852 1.00 0.00 O ATOM 0 H GLY A 28 -1.748 15.253 -8.203 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.461 16.934 -7.225 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.990 18.087 -8.435 1.00 0.00 H new ATOM 400 N SER A 29 -3.652 17.470 -7.174 1.00 0.00 N ATOM 401 CA SER A 29 -4.774 17.901 -6.347 1.00 0.00 C ATOM 402 C SER A 29 -5.024 16.911 -5.214 1.00 0.00 C ATOM 403 O SER A 29 -4.281 15.945 -5.043 1.00 0.00 O ATOM 404 CB SER A 29 -6.036 18.048 -7.199 1.00 0.00 C ATOM 405 OG SER A 29 -5.967 19.204 -8.017 1.00 0.00 O ATOM 0 H SER A 29 -3.918 16.933 -7.999 1.00 0.00 H new ATOM 0 HA SER A 29 -4.523 18.869 -5.912 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.162 17.164 -7.824 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.911 18.108 -6.552 1.00 0.00 H new ATOM 0 HG SER A 29 -6.784 19.275 -8.553 1.00 0.00 H new ATOM 411 N SER A 30 -6.077 17.159 -4.442 1.00 0.00 N ATOM 412 CA SER A 30 -6.425 16.293 -3.322 1.00 0.00 C ATOM 413 C SER A 30 -7.659 15.455 -3.645 1.00 0.00 C ATOM 414 O SER A 30 -8.775 15.971 -3.703 1.00 0.00 O ATOM 415 CB SER A 30 -6.677 17.127 -2.064 1.00 0.00 C ATOM 416 OG SER A 30 -6.943 18.479 -2.393 1.00 0.00 O ATOM 0 H SER A 30 -6.704 17.953 -4.572 1.00 0.00 H new ATOM 0 HA SER A 30 -5.587 15.620 -3.142 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.520 16.711 -1.511 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.808 17.073 -1.408 1.00 0.00 H new ATOM 0 HG SER A 30 -7.102 18.990 -1.572 1.00 0.00 H new ATOM 422 N ALA A 31 -7.448 14.160 -3.856 1.00 0.00 N ATOM 423 CA ALA A 31 -8.542 13.250 -4.171 1.00 0.00 C ATOM 424 C ALA A 31 -9.115 12.620 -2.906 1.00 0.00 C ATOM 425 O ALA A 31 -8.390 12.007 -2.122 1.00 0.00 O ATOM 426 CB ALA A 31 -8.069 12.170 -5.133 1.00 0.00 C ATOM 0 H ALA A 31 -6.530 13.718 -3.814 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.334 13.826 -4.649 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.896 11.497 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.715 12.633 -6.054 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.257 11.605 -4.675 1.00 0.00 H new ATOM 432 N THR A 32 -10.421 12.775 -2.712 1.00 0.00 N ATOM 433 CA THR A 32 -11.090 12.223 -1.542 1.00 0.00 C ATOM 434 C THR A 32 -11.626 10.824 -1.823 1.00 0.00 C ATOM 435 O THR A 32 -12.129 10.548 -2.912 1.00 0.00 O ATOM 436 CB THR A 32 -12.254 13.123 -1.084 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.769 14.438 -0.788 1.00 0.00 O ATOM 438 CG2 THR A 32 -12.937 12.541 0.144 1.00 0.00 C ATOM 0 H THR A 32 -11.036 13.279 -3.351 1.00 0.00 H new ATOM 0 HA THR A 32 -10.345 12.171 -0.748 1.00 0.00 H new ATOM 0 HB THR A 32 -12.982 13.178 -1.893 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.515 15.004 -0.499 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.755 13.193 0.449 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.330 11.552 -0.093 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.216 12.460 0.957 1.00 0.00 H new ATOM 446 N PHE A 33 -11.514 9.943 -0.834 1.00 0.00 N ATOM 447 CA PHE A 33 -11.988 8.571 -0.976 1.00 0.00 C ATOM 448 C PHE A 33 -12.777 8.138 0.256 1.00 0.00 C ATOM 449 O PHE A 33 -12.233 7.513 1.167 1.00 0.00 O ATOM 450 CB PHE A 33 -10.808 7.623 -1.199 1.00 0.00 C ATOM 451 CG PHE A 33 -10.360 7.549 -2.631 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.031 6.746 -3.539 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.269 8.283 -3.068 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.620 6.676 -4.857 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.855 8.217 -4.385 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.532 7.413 -5.281 1.00 0.00 C ATOM 0 H PHE A 33 -11.100 10.154 0.074 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.649 8.528 -1.842 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.971 7.947 -0.581 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.086 6.624 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -11.884 6.169 -3.214 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.736 8.914 -2.372 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.150 6.045 -5.555 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.003 8.794 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.211 7.361 -6.311 1.00 0.00 H new ATOM 466 N ARG A 34 -14.062 8.475 0.277 1.00 0.00 N ATOM 467 CA ARG A 34 -14.927 8.123 1.397 1.00 0.00 C ATOM 468 C ARG A 34 -15.339 6.656 1.325 1.00 0.00 C ATOM 469 O ARG A 34 -15.550 6.112 0.240 1.00 0.00 O ATOM 470 CB ARG A 34 -16.170 9.014 1.408 1.00 0.00 C ATOM 471 CG ARG A 34 -16.571 9.483 2.797 1.00 0.00 C ATOM 472 CD ARG A 34 -17.881 10.255 2.768 1.00 0.00 C ATOM 473 NE ARG A 34 -18.474 10.377 4.097 1.00 0.00 N ATOM 474 CZ ARG A 34 -19.748 10.690 4.308 1.00 0.00 C ATOM 475 NH1 ARG A 34 -20.558 10.911 3.282 1.00 0.00 N ATOM 476 NH2 ARG A 34 -20.213 10.782 5.547 1.00 0.00 N ATOM 0 H ARG A 34 -14.528 8.992 -0.469 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.368 8.280 2.319 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.988 9.885 0.778 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.002 8.468 0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.669 8.622 3.459 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.784 10.114 3.210 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -17.707 11.249 2.356 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.583 9.753 2.103 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.877 10.213 4.908 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -20.204 10.841 2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -21.536 11.151 3.447 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -19.592 10.612 6.339 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -21.191 11.022 5.708 1.00 0.00 H new ATOM 490 N CYS A 35 -15.453 6.022 2.486 1.00 0.00 N ATOM 491 CA CYS A 35 -15.839 4.617 2.556 1.00 0.00 C ATOM 492 C CYS A 35 -16.290 4.246 3.965 1.00 0.00 C ATOM 493 O CYS A 35 -15.545 4.415 4.930 1.00 0.00 O ATOM 494 CB CYS A 35 -14.673 3.724 2.129 1.00 0.00 C ATOM 495 SG CYS A 35 -13.133 4.045 3.020 1.00 0.00 S ATOM 0 H CYS A 35 -15.284 6.458 3.392 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.675 4.461 1.874 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -14.955 2.681 2.276 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.498 3.859 1.062 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.131 5.270 3.456 1.00 0.00 H new ATOM 501 N ARG A 36 -17.514 3.741 4.075 1.00 0.00 N ATOM 502 CA ARG A 36 -18.066 3.349 5.366 1.00 0.00 C ATOM 503 C ARG A 36 -17.793 1.874 5.648 1.00 0.00 C ATOM 504 O ARG A 36 -18.216 0.999 4.893 1.00 0.00 O ATOM 505 CB ARG A 36 -19.572 3.616 5.403 1.00 0.00 C ATOM 506 CG ARG A 36 -20.115 3.841 6.805 1.00 0.00 C ATOM 507 CD ARG A 36 -21.631 3.965 6.801 1.00 0.00 C ATOM 508 NE ARG A 36 -22.137 4.533 8.048 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.426 4.582 8.363 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.336 4.100 7.527 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.809 5.115 9.516 1.00 0.00 N ATOM 0 H ARG A 36 -18.143 3.594 3.285 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.579 3.945 6.138 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.793 4.491 4.792 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.094 2.772 4.951 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.818 3.013 7.449 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.676 4.745 7.226 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -21.941 4.592 5.965 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -22.075 2.982 6.644 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.463 4.913 8.713 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.046 3.690 6.639 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.325 4.139 7.772 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.113 5.488 10.162 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.800 5.152 9.757 1.00 0.00 H new ATOM 525 N ILE A 37 -17.083 1.608 6.740 1.00 0.00 N ATOM 526 CA ILE A 37 -16.754 0.240 7.122 1.00 0.00 C ATOM 527 C ILE A 37 -17.024 0.004 8.604 1.00 0.00 C ATOM 528 O ILE A 37 -16.638 0.808 9.452 1.00 0.00 O ATOM 529 CB ILE A 37 -15.281 -0.090 6.820 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.356 0.777 7.677 1.00 0.00 C ATOM 531 CG2 ILE A 37 -14.984 0.111 5.342 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.792 0.054 8.880 1.00 0.00 C ATOM 0 H ILE A 37 -16.725 2.321 7.375 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.392 -0.416 6.530 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.101 -1.136 7.067 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.532 1.135 7.060 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.906 1.655 8.016 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.939 -0.127 5.145 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.623 -0.545 4.750 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.178 1.149 5.070 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.146 0.730 9.441 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.609 -0.281 9.519 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.214 -0.809 8.548 1.00 0.00 H new ATOM 544 N SER A 38 -17.687 -1.107 8.909 1.00 0.00 N ATOM 545 CA SER A 38 -18.010 -1.449 10.289 1.00 0.00 C ATOM 546 C SER A 38 -16.925 -2.333 10.898 1.00 0.00 C ATOM 547 O SER A 38 -16.239 -3.084 10.205 1.00 0.00 O ATOM 548 CB SER A 38 -19.362 -2.163 10.357 1.00 0.00 C ATOM 549 OG SER A 38 -19.387 -3.109 11.412 1.00 0.00 O ATOM 0 H SER A 38 -18.011 -1.785 8.219 1.00 0.00 H new ATOM 0 HA SER A 38 -18.066 -0.524 10.863 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.156 -1.431 10.502 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.560 -2.665 9.410 1.00 0.00 H new ATOM 0 HG SER A 38 -20.262 -3.550 11.435 1.00 0.00 H new ATOM 555 N PRO A 39 -16.766 -2.242 12.227 1.00 0.00 N ATOM 556 CA PRO A 39 -17.576 -1.351 13.062 1.00 0.00 C ATOM 557 C PRO A 39 -17.254 0.120 12.824 1.00 0.00 C ATOM 558 O PRO A 39 -16.341 0.451 12.067 1.00 0.00 O ATOM 559 CB PRO A 39 -17.196 -1.758 14.488 1.00 0.00 C ATOM 560 CG PRO A 39 -15.829 -2.337 14.364 1.00 0.00 C ATOM 561 CD PRO A 39 -15.781 -3.001 13.016 1.00 0.00 C ATOM 0 HA PRO A 39 -18.640 -1.447 12.846 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.203 -0.900 15.160 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.899 -2.486 14.893 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.068 -1.561 14.444 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.636 -3.056 15.160 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.785 -2.946 12.576 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -16.044 -4.057 13.079 1.00 0.00 H new ATOM 569 N ALA A 40 -18.008 1.000 13.475 1.00 0.00 N ATOM 570 CA ALA A 40 -17.800 2.436 13.336 1.00 0.00 C ATOM 571 C ALA A 40 -16.630 2.907 14.193 1.00 0.00 C ATOM 572 O ALA A 40 -16.295 4.090 14.206 1.00 0.00 O ATOM 573 CB ALA A 40 -19.067 3.191 13.708 1.00 0.00 C ATOM 0 H ALA A 40 -18.769 0.743 14.104 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.559 2.644 12.293 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -18.897 4.262 13.600 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.880 2.884 13.050 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.333 2.969 14.741 1.00 0.00 H new ATOM 579 N ASN A 41 -16.013 1.972 14.909 1.00 0.00 N ATOM 580 CA ASN A 41 -14.881 2.293 15.771 1.00 0.00 C ATOM 581 C ASN A 41 -13.681 1.408 15.444 1.00 0.00 C ATOM 582 O ASN A 41 -12.902 1.050 16.328 1.00 0.00 O ATOM 583 CB ASN A 41 -15.268 2.123 17.241 1.00 0.00 C ATOM 584 CG ASN A 41 -16.522 2.896 17.601 1.00 0.00 C ATOM 585 OD1 ASN A 41 -17.423 2.369 18.254 1.00 0.00 O ATOM 586 ND2 ASN A 41 -16.587 4.152 17.175 1.00 0.00 N ATOM 0 H ASN A 41 -16.278 0.987 14.909 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.604 3.332 15.593 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.423 1.065 17.453 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.444 2.457 17.872 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -17.407 4.720 17.386 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.817 4.548 16.637 1.00 0.00 H new ATOM 593 N TYR A 42 -13.539 1.061 14.170 1.00 0.00 N ATOM 594 CA TYR A 42 -12.436 0.217 13.727 1.00 0.00 C ATOM 595 C TYR A 42 -11.218 1.060 13.361 1.00 0.00 C ATOM 596 O TYR A 42 -11.327 2.040 12.625 1.00 0.00 O ATOM 597 CB TYR A 42 -12.863 -0.629 12.526 1.00 0.00 C ATOM 598 CG TYR A 42 -11.843 -1.670 12.124 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.707 -1.317 11.407 1.00 0.00 C ATOM 600 CD2 TYR A 42 -12.015 -3.007 12.463 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.772 -2.265 11.037 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.085 -3.961 12.099 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.966 -3.585 11.386 1.00 0.00 C ATOM 604 OH TYR A 42 -9.037 -4.533 11.020 1.00 0.00 O ATOM 0 H TYR A 42 -14.174 1.351 13.426 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.165 -0.444 14.550 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.804 -1.126 12.759 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.052 0.029 11.678 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.552 -0.284 11.134 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.891 -3.305 13.020 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.895 -1.974 10.478 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.233 -4.996 12.371 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.322 -5.413 11.344 1.00 0.00 H new ATOM 614 N GLU A 43 -10.058 0.670 13.881 1.00 0.00 N ATOM 615 CA GLU A 43 -8.819 1.389 13.610 1.00 0.00 C ATOM 616 C GLU A 43 -7.643 0.739 14.332 1.00 0.00 C ATOM 617 O GLU A 43 -7.810 -0.005 15.299 1.00 0.00 O ATOM 618 CB GLU A 43 -8.949 2.852 14.038 1.00 0.00 C ATOM 619 CG GLU A 43 -9.825 3.052 15.264 1.00 0.00 C ATOM 620 CD GLU A 43 -9.534 4.356 15.983 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.137 5.329 15.307 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.702 4.403 17.219 1.00 0.00 O ATOM 0 H GLU A 43 -9.951 -0.140 14.492 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.632 1.347 12.537 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.956 3.252 14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.360 3.429 13.210 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.873 3.033 14.964 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.675 2.220 15.953 1.00 0.00 H new ATOM 629 N PRO A 44 -6.423 1.025 13.852 1.00 0.00 N ATOM 630 CA PRO A 44 -6.213 1.909 12.702 1.00 0.00 C ATOM 631 C PRO A 44 -6.687 1.282 11.395 1.00 0.00 C ATOM 632 O PRO A 44 -7.117 0.129 11.368 1.00 0.00 O ATOM 633 CB PRO A 44 -4.695 2.106 12.680 1.00 0.00 C ATOM 634 CG PRO A 44 -4.145 0.896 13.353 1.00 0.00 C ATOM 635 CD PRO A 44 -5.157 0.507 14.396 1.00 0.00 C ATOM 0 HA PRO A 44 -6.777 2.838 12.793 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.322 2.195 11.660 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.406 3.016 13.205 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -3.991 0.088 12.638 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.177 1.108 13.808 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.193 -0.573 14.538 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.925 0.949 15.365 1.00 0.00 H new ATOM 643 N VAL A 45 -6.606 2.050 10.313 1.00 0.00 N ATOM 644 CA VAL A 45 -7.026 1.569 9.002 1.00 0.00 C ATOM 645 C VAL A 45 -5.862 1.572 8.017 1.00 0.00 C ATOM 646 O VAL A 45 -4.965 2.412 8.101 1.00 0.00 O ATOM 647 CB VAL A 45 -8.170 2.427 8.430 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.472 2.136 9.161 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.821 3.905 8.513 1.00 0.00 C ATOM 0 H VAL A 45 -6.254 3.007 10.318 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.381 0.547 9.138 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.305 2.168 7.380 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.269 2.751 8.743 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.727 1.083 9.044 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.354 2.365 10.220 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.641 4.496 8.104 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.658 4.182 9.554 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -6.914 4.097 7.940 1.00 0.00 H new ATOM 659 N HIS A 46 -5.883 0.628 7.082 1.00 0.00 N ATOM 660 CA HIS A 46 -4.830 0.522 6.078 1.00 0.00 C ATOM 661 C HIS A 46 -5.332 0.980 4.713 1.00 0.00 C ATOM 662 O HIS A 46 -6.505 0.804 4.381 1.00 0.00 O ATOM 663 CB HIS A 46 -4.322 -0.918 5.991 1.00 0.00 C ATOM 664 CG HIS A 46 -3.964 -1.508 7.321 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.303 -0.803 8.304 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.181 -2.744 7.828 1.00 0.00 C ATOM 667 CE1 HIS A 46 -3.127 -1.580 9.358 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.651 -2.764 9.094 1.00 0.00 N ATOM 0 H HIS A 46 -6.618 -0.075 6.998 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.008 1.172 6.380 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.087 -1.537 5.522 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.447 -0.947 5.342 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.679 -3.562 7.329 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.638 -1.296 10.278 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.660 -3.563 9.728 1.00 0.00 H new ATOM 676 N TRP A 47 -4.438 1.567 3.926 1.00 0.00 N ATOM 677 CA TRP A 47 -4.792 2.051 2.596 1.00 0.00 C ATOM 678 C TRP A 47 -3.689 1.737 1.591 1.00 0.00 C ATOM 679 O TRP A 47 -2.510 1.978 1.852 1.00 0.00 O ATOM 680 CB TRP A 47 -5.051 3.558 2.632 1.00 0.00 C ATOM 681 CG TRP A 47 -6.296 3.929 3.380 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.494 3.851 4.729 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.514 4.433 2.822 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.763 4.277 5.043 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.408 4.640 3.891 1.00 0.00 C ATOM 686 CE3 TRP A 47 -7.935 4.732 1.523 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.696 5.131 3.698 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.215 5.219 1.334 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.083 5.415 2.416 1.00 0.00 C ATOM 0 H TRP A 47 -3.463 1.719 4.185 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.702 1.540 2.281 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.197 4.055 3.092 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.125 3.931 1.611 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.762 3.506 5.444 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.160 4.316 5.982 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.273 4.585 0.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.367 5.283 4.531 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.552 5.452 0.335 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.077 5.798 2.235 1.00 0.00 H new ATOM 700 N PHE A 48 -4.079 1.196 0.441 1.00 0.00 N ATOM 701 CA PHE A 48 -3.122 0.848 -0.603 1.00 0.00 C ATOM 702 C PHE A 48 -3.561 1.410 -1.952 1.00 0.00 C ATOM 703 O PHE A 48 -4.733 1.733 -2.151 1.00 0.00 O ATOM 704 CB PHE A 48 -2.968 -0.671 -0.696 1.00 0.00 C ATOM 705 CG PHE A 48 -2.442 -1.299 0.563 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.297 -1.606 1.609 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.092 -1.582 0.701 1.00 0.00 C ATOM 708 CE1 PHE A 48 -2.815 -2.183 2.769 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.605 -2.159 1.858 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.468 -2.461 2.893 1.00 0.00 C ATOM 0 H PHE A 48 -5.050 0.989 0.209 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.160 1.289 -0.342 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.936 -1.112 -0.936 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.296 -0.910 -1.520 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.352 -1.392 1.517 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.413 -1.349 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.492 -2.416 3.578 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.449 -2.374 1.953 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.090 -2.914 3.798 1.00 0.00 H new ATOM 720 N LEU A 49 -2.613 1.523 -2.875 1.00 0.00 N ATOM 721 CA LEU A 49 -2.900 2.046 -4.207 1.00 0.00 C ATOM 722 C LEU A 49 -2.215 1.207 -5.281 1.00 0.00 C ATOM 723 O LEU A 49 -1.013 1.339 -5.513 1.00 0.00 O ATOM 724 CB LEU A 49 -2.444 3.503 -4.313 1.00 0.00 C ATOM 725 CG LEU A 49 -2.739 4.203 -5.640 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.625 3.941 -6.641 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.079 3.746 -6.198 1.00 0.00 C ATOM 0 H LEU A 49 -1.639 1.260 -2.726 1.00 0.00 H new ATOM 0 HA LEU A 49 -3.977 1.996 -4.366 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.918 4.071 -3.512 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.369 3.540 -4.136 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.791 5.277 -5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -1.852 4.447 -7.579 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -0.683 4.319 -6.244 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.540 2.869 -6.818 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.272 4.255 -7.143 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.056 2.669 -6.364 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -4.870 3.987 -5.488 1.00 0.00 H new ATOM 739 N ASP A 50 -2.988 0.347 -5.934 1.00 0.00 N ATOM 740 CA ASP A 50 -2.457 -0.512 -6.986 1.00 0.00 C ATOM 741 C ASP A 50 -1.483 -1.536 -6.412 1.00 0.00 C ATOM 742 O ASP A 50 -1.833 -2.700 -6.214 1.00 0.00 O ATOM 743 CB ASP A 50 -1.759 0.329 -8.056 1.00 0.00 C ATOM 744 CG ASP A 50 -2.557 0.407 -9.343 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.793 0.230 -9.287 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.947 0.645 -10.406 1.00 0.00 O ATOM 0 H ASP A 50 -3.985 0.226 -5.754 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.291 -1.046 -7.441 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.594 1.336 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.778 -0.097 -8.266 1.00 0.00 H new ATOM 751 N LYS A 51 -0.257 -1.096 -6.147 1.00 0.00 N ATOM 752 CA LYS A 51 0.769 -1.973 -5.595 1.00 0.00 C ATOM 753 C LYS A 51 1.710 -1.200 -4.678 1.00 0.00 C ATOM 754 O LYS A 51 2.919 -1.437 -4.668 1.00 0.00 O ATOM 755 CB LYS A 51 1.565 -2.633 -6.723 1.00 0.00 C ATOM 756 CG LYS A 51 0.731 -3.547 -7.603 1.00 0.00 C ATOM 757 CD LYS A 51 0.299 -4.798 -6.856 1.00 0.00 C ATOM 758 CE LYS A 51 -1.067 -5.279 -7.319 1.00 0.00 C ATOM 759 NZ LYS A 51 -0.967 -6.493 -8.177 1.00 0.00 N ATOM 0 H LYS A 51 0.050 -0.136 -6.306 1.00 0.00 H new ATOM 0 HA LYS A 51 0.274 -2.746 -5.008 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.013 -1.856 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 51 2.384 -3.208 -6.290 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -0.150 -3.010 -7.955 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.306 -3.829 -8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 51 1.035 -5.587 -7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 51 0.270 -4.593 -5.786 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -1.688 -5.498 -6.451 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -1.564 -4.483 -7.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -1.919 -6.789 -8.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -0.395 -6.277 -9.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -0.516 -7.261 -7.640 1.00 0.00 H new ATOM 773 N THR A 52 1.150 -0.273 -3.907 1.00 0.00 N ATOM 774 CA THR A 52 1.939 0.535 -2.986 1.00 0.00 C ATOM 775 C THR A 52 1.097 1.005 -1.806 1.00 0.00 C ATOM 776 O THR A 52 -0.024 1.489 -1.966 1.00 0.00 O ATOM 777 CB THR A 52 2.543 1.763 -3.693 1.00 0.00 C ATOM 778 OG1 THR A 52 3.269 1.352 -4.856 1.00 0.00 O ATOM 779 CG2 THR A 52 3.466 2.527 -2.756 1.00 0.00 C ATOM 0 H THR A 52 0.152 -0.063 -3.902 1.00 0.00 H new ATOM 0 HA THR A 52 2.747 -0.099 -2.621 1.00 0.00 H new ATOM 0 HB THR A 52 1.727 2.421 -3.990 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.648 2.139 -5.300 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.881 3.390 -3.277 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.903 2.865 -1.886 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.277 1.875 -2.432 1.00 0.00 H new ATOM 787 N PRO A 53 1.646 0.860 -0.591 1.00 0.00 N ATOM 788 CA PRO A 53 0.962 1.265 0.641 1.00 0.00 C ATOM 789 C PRO A 53 0.844 2.780 0.767 1.00 0.00 C ATOM 790 O PRO A 53 1.544 3.526 0.082 1.00 0.00 O ATOM 791 CB PRO A 53 1.860 0.704 1.746 1.00 0.00 C ATOM 792 CG PRO A 53 3.210 0.608 1.125 1.00 0.00 C ATOM 793 CD PRO A 53 2.977 0.289 -0.326 1.00 0.00 C ATOM 0 HA PRO A 53 -0.063 0.897 0.678 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.871 1.358 2.618 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.509 -0.271 2.084 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.758 1.544 1.236 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.806 -0.169 1.604 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.740 0.736 -0.963 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.997 -0.785 -0.510 1.00 0.00 H new ATOM 801 N LEU A 54 -0.045 3.228 1.647 1.00 0.00 N ATOM 802 CA LEU A 54 -0.254 4.656 1.863 1.00 0.00 C ATOM 803 C LEU A 54 -0.386 4.967 3.351 1.00 0.00 C ATOM 804 O LEU A 54 -1.165 4.332 4.062 1.00 0.00 O ATOM 805 CB LEU A 54 -1.504 5.127 1.119 1.00 0.00 C ATOM 806 CG LEU A 54 -1.455 5.026 -0.406 1.00 0.00 C ATOM 807 CD1 LEU A 54 -2.855 4.853 -0.974 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.784 6.255 -1.001 1.00 0.00 C ATOM 0 H LEU A 54 -0.632 2.624 2.222 1.00 0.00 H new ATOM 0 HA LEU A 54 0.614 5.188 1.474 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.355 4.546 1.475 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.693 6.166 1.388 1.00 0.00 H new ATOM 0 HG LEU A 54 -0.865 4.150 -0.674 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.801 4.783 -2.060 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.300 3.942 -0.573 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.469 5.710 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.758 6.166 -2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.346 7.147 -0.724 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.234 6.335 -0.619 1.00 0.00 H new ATOM 820 N HIS A 55 0.379 5.950 3.815 1.00 0.00 N ATOM 821 CA HIS A 55 0.346 6.348 5.217 1.00 0.00 C ATOM 822 C HIS A 55 0.213 7.862 5.349 1.00 0.00 C ATOM 823 O HIS A 55 0.768 8.616 4.550 1.00 0.00 O ATOM 824 CB HIS A 55 1.608 5.871 5.935 1.00 0.00 C ATOM 825 CG HIS A 55 1.963 4.446 5.640 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.284 3.374 6.180 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.930 3.919 4.853 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.820 2.249 5.740 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.821 2.553 4.933 1.00 0.00 N ATOM 0 H HIS A 55 1.029 6.485 3.240 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.524 5.883 5.680 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.443 6.511 5.649 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.470 5.987 7.010 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.653 4.471 4.270 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.495 1.251 5.996 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.416 1.882 4.448 1.00 0.00 H new ATOM 837 N ALA A 56 -0.527 8.300 6.363 1.00 0.00 N ATOM 838 CA ALA A 56 -0.732 9.724 6.600 1.00 0.00 C ATOM 839 C ALA A 56 0.597 10.471 6.633 1.00 0.00 C ATOM 840 O ALA A 56 1.538 10.053 7.306 1.00 0.00 O ATOM 841 CB ALA A 56 -1.493 9.939 7.900 1.00 0.00 C ATOM 0 H ALA A 56 -0.994 7.689 7.033 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.323 10.123 5.776 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.639 11.007 8.064 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.463 9.445 7.840 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.923 9.519 8.729 1.00 0.00 H new ATOM 847 N ASN A 57 0.666 11.579 5.902 1.00 0.00 N ATOM 848 CA ASN A 57 1.881 12.384 5.847 1.00 0.00 C ATOM 849 C ASN A 57 1.560 13.829 5.478 1.00 0.00 C ATOM 850 O ASN A 57 0.398 14.233 5.466 1.00 0.00 O ATOM 851 CB ASN A 57 2.864 11.793 4.835 1.00 0.00 C ATOM 852 CG ASN A 57 4.291 11.789 5.349 1.00 0.00 C ATOM 853 OD1 ASN A 57 4.528 11.704 6.555 1.00 0.00 O ATOM 854 ND2 ASN A 57 5.250 11.880 4.435 1.00 0.00 N ATOM 0 H ASN A 57 -0.105 11.940 5.340 1.00 0.00 H new ATOM 0 HA ASN A 57 2.339 12.374 6.836 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.564 10.773 4.595 1.00 0.00 H new ATOM 0 HB3 ASN A 57 2.816 12.366 3.909 1.00 0.00 H new ATOM 0 HD21 ASN A 57 6.229 11.881 4.721 1.00 0.00 H new ATOM 0 HD22 ASN A 57 5.008 11.949 3.447 1.00 0.00 H new ATOM 861 N GLU A 58 2.599 14.602 5.176 1.00 0.00 N ATOM 862 CA GLU A 58 2.426 16.002 4.806 1.00 0.00 C ATOM 863 C GLU A 58 1.549 16.132 3.564 1.00 0.00 C ATOM 864 O GLU A 58 0.998 17.199 3.288 1.00 0.00 O ATOM 865 CB GLU A 58 3.786 16.657 4.554 1.00 0.00 C ATOM 866 CG GLU A 58 4.433 16.234 3.246 1.00 0.00 C ATOM 867 CD GLU A 58 5.903 16.599 3.178 1.00 0.00 C ATOM 868 OE1 GLU A 58 6.246 17.747 3.531 1.00 0.00 O ATOM 869 OE2 GLU A 58 6.711 15.737 2.773 1.00 0.00 O ATOM 0 H GLU A 58 3.568 14.283 5.180 1.00 0.00 H new ATOM 0 HA GLU A 58 1.932 16.512 5.633 1.00 0.00 H new ATOM 0 HB2 GLU A 58 3.664 17.740 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.456 16.411 5.377 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.324 15.157 3.123 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.907 16.705 2.416 1.00 0.00 H new ATOM 876 N LEU A 59 1.426 15.041 2.817 1.00 0.00 N ATOM 877 CA LEU A 59 0.616 15.032 1.603 1.00 0.00 C ATOM 878 C LEU A 59 -0.563 14.075 1.742 1.00 0.00 C ATOM 879 O LEU A 59 -1.624 14.292 1.158 1.00 0.00 O ATOM 880 CB LEU A 59 1.472 14.634 0.399 1.00 0.00 C ATOM 881 CG LEU A 59 2.861 15.269 0.323 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.745 14.503 -0.649 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.757 16.731 -0.085 1.00 0.00 C ATOM 0 H LEU A 59 1.876 14.151 3.030 1.00 0.00 H new ATOM 0 HA LEU A 59 0.226 16.038 1.448 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.590 13.550 0.405 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.927 14.891 -0.509 1.00 0.00 H new ATOM 0 HG LEU A 59 3.317 15.221 1.312 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.729 14.969 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.846 13.471 -0.313 1.00 0.00 H new ATOM 0 HD13 LEU A 59 3.294 14.519 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.755 17.167 -0.134 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.281 16.803 -1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.160 17.272 0.649 1.00 0.00 H new ATOM 895 N ASN A 60 -0.370 13.015 2.521 1.00 0.00 N ATOM 896 CA ASN A 60 -1.419 12.025 2.738 1.00 0.00 C ATOM 897 C ASN A 60 -2.291 12.410 3.929 1.00 0.00 C ATOM 898 O ASN A 60 -1.786 12.704 5.012 1.00 0.00 O ATOM 899 CB ASN A 60 -0.804 10.643 2.967 1.00 0.00 C ATOM 900 CG ASN A 60 0.423 10.406 2.109 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.490 10.967 2.363 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.278 9.572 1.086 1.00 0.00 N ATOM 0 H ASN A 60 0.502 12.820 3.012 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.046 11.993 1.847 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.535 10.538 4.018 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.549 9.877 2.751 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.069 9.374 0.473 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.624 9.129 0.913 1.00 0.00 H new ATOM 909 N GLU A 61 -3.604 12.404 3.720 1.00 0.00 N ATOM 910 CA GLU A 61 -4.547 12.752 4.776 1.00 0.00 C ATOM 911 C GLU A 61 -5.563 11.634 4.989 1.00 0.00 C ATOM 912 O GLU A 61 -6.209 11.180 4.044 1.00 0.00 O ATOM 913 CB GLU A 61 -5.271 14.056 4.435 1.00 0.00 C ATOM 914 CG GLU A 61 -4.919 15.208 5.361 1.00 0.00 C ATOM 915 CD GLU A 61 -3.424 15.358 5.565 1.00 0.00 C ATOM 916 OE1 GLU A 61 -2.678 15.282 4.566 1.00 0.00 O ATOM 917 OE2 GLU A 61 -3.000 15.552 6.724 1.00 0.00 O ATOM 0 H GLU A 61 -4.038 12.162 2.829 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.984 12.888 5.699 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.030 14.338 3.410 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.347 13.885 4.474 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.320 16.135 4.951 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.400 15.053 6.327 1.00 0.00 H new ATOM 924 N ILE A 62 -5.698 11.195 6.236 1.00 0.00 N ATOM 925 CA ILE A 62 -6.636 10.131 6.573 1.00 0.00 C ATOM 926 C ILE A 62 -7.483 10.508 7.784 1.00 0.00 C ATOM 927 O ILE A 62 -7.074 10.310 8.927 1.00 0.00 O ATOM 928 CB ILE A 62 -5.904 8.808 6.865 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.082 8.375 5.650 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.901 7.725 7.250 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.674 7.942 5.996 1.00 0.00 C ATOM 0 H ILE A 62 -5.170 11.559 7.029 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.284 9.995 5.707 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.224 8.964 7.703 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.594 7.553 5.150 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.035 9.201 4.940 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.369 6.796 7.453 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.447 8.033 8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.603 7.569 6.431 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.150 7.649 5.087 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.145 8.769 6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.712 7.096 6.682 1.00 0.00 H new ATOM 943 N ASP A 63 -8.667 11.052 7.523 1.00 0.00 N ATOM 944 CA ASP A 63 -9.575 11.454 8.591 1.00 0.00 C ATOM 945 C ASP A 63 -10.371 10.259 9.108 1.00 0.00 C ATOM 946 O ASP A 63 -10.174 9.130 8.660 1.00 0.00 O ATOM 947 CB ASP A 63 -10.529 12.542 8.096 1.00 0.00 C ATOM 948 CG ASP A 63 -10.714 13.655 9.109 1.00 0.00 C ATOM 949 OD1 ASP A 63 -9.699 14.242 9.538 1.00 0.00 O ATOM 950 OD2 ASP A 63 -11.875 13.940 9.471 1.00 0.00 O ATOM 0 H ASP A 63 -9.020 11.225 6.582 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.977 11.851 9.411 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.146 12.961 7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.498 12.096 7.869 1.00 0.00 H new ATOM 955 N ALA A 64 -11.269 10.517 10.053 1.00 0.00 N ATOM 956 CA ALA A 64 -12.095 9.463 10.629 1.00 0.00 C ATOM 957 C ALA A 64 -13.478 9.989 10.998 1.00 0.00 C ATOM 958 O ALA A 64 -13.833 10.052 12.174 1.00 0.00 O ATOM 959 CB ALA A 64 -11.412 8.866 11.851 1.00 0.00 C ATOM 0 H ALA A 64 -11.443 11.446 10.436 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.220 8.683 9.878 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -12.040 8.080 12.271 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.449 8.445 11.560 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.257 9.645 12.598 1.00 0.00 H new ATOM 965 N GLN A 65 -14.252 10.366 9.986 1.00 0.00 N ATOM 966 CA GLN A 65 -15.596 10.888 10.205 1.00 0.00 C ATOM 967 C GLN A 65 -16.408 9.945 11.087 1.00 0.00 C ATOM 968 O GLN A 65 -16.088 8.766 11.237 1.00 0.00 O ATOM 969 CB GLN A 65 -16.309 11.097 8.868 1.00 0.00 C ATOM 970 CG GLN A 65 -16.069 12.468 8.258 1.00 0.00 C ATOM 971 CD GLN A 65 -16.648 12.596 6.863 1.00 0.00 C ATOM 972 OE1 GLN A 65 -17.687 12.012 6.554 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.977 13.363 6.011 1.00 0.00 N ATOM 0 H GLN A 65 -13.972 10.320 9.006 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.508 11.847 10.715 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.977 10.333 8.165 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.380 10.955 9.011 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.510 13.230 8.901 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.997 12.663 8.222 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.120 13.828 6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -16.319 13.487 5.058 1.00 0.00 H new ATOM 982 N PRO A 66 -17.485 10.476 11.685 1.00 0.00 N ATOM 983 CA PRO A 66 -18.366 9.699 12.562 1.00 0.00 C ATOM 984 C PRO A 66 -19.181 8.663 11.795 1.00 0.00 C ATOM 985 O PRO A 66 -19.835 8.983 10.804 1.00 0.00 O ATOM 986 CB PRO A 66 -19.287 10.760 13.170 1.00 0.00 C ATOM 987 CG PRO A 66 -19.294 11.870 12.176 1.00 0.00 C ATOM 988 CD PRO A 66 -17.926 11.874 11.551 1.00 0.00 C ATOM 0 HA PRO A 66 -17.804 9.128 13.301 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.291 10.367 13.332 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.917 11.098 14.138 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -20.067 11.715 11.423 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.506 12.824 12.658 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.962 12.185 10.507 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.252 12.559 12.065 1.00 0.00 H new ATOM 996 N GLY A 67 -19.137 7.418 12.262 1.00 0.00 N ATOM 997 CA GLY A 67 -19.876 6.354 11.608 1.00 0.00 C ATOM 998 C GLY A 67 -18.992 5.487 10.734 1.00 0.00 C ATOM 999 O GLY A 67 -19.408 5.045 9.664 1.00 0.00 O ATOM 0 H GLY A 67 -18.603 7.128 13.081 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.357 5.732 12.363 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.670 6.788 11.000 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.766 5.245 11.189 1.00 0.00 N ATOM 1004 CA GLY A 68 -16.840 4.428 10.428 1.00 0.00 C ATOM 1005 C GLY A 68 -16.587 4.979 9.039 1.00 0.00 C ATOM 1006 O GLY A 68 -16.376 4.222 8.091 1.00 0.00 O ATOM 0 H GLY A 68 -17.398 5.601 12.071 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.894 4.359 10.966 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.235 3.415 10.347 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.611 6.302 8.916 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.387 6.954 7.631 1.00 0.00 C ATOM 1012 C TYR A 69 -14.937 7.409 7.497 1.00 0.00 C ATOM 1013 O TYR A 69 -14.591 8.535 7.856 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.325 8.152 7.473 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.675 7.791 6.894 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -18.843 7.620 5.526 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.782 7.620 7.716 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.074 7.291 4.993 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -21.016 7.290 7.192 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.158 7.127 5.830 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.386 6.798 5.303 1.00 0.00 O ATOM 0 H TYR A 69 -16.783 6.943 9.690 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.597 6.230 6.843 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.470 8.620 8.447 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.850 8.893 6.830 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -17.996 7.746 4.868 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -19.675 7.747 8.783 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -20.187 7.163 3.927 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -21.866 7.160 7.846 1.00 0.00 H new ATOM 0 HH TYR A 69 -23.042 6.719 6.027 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.092 6.525 6.976 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.678 6.834 6.792 1.00 0.00 C ATOM 1033 C HIS A 70 -12.451 7.578 5.479 1.00 0.00 C ATOM 1034 O HIS A 70 -12.614 7.013 4.398 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.846 5.552 6.815 1.00 0.00 C ATOM 1036 CG HIS A 70 -11.913 4.818 8.119 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.224 5.219 9.244 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.595 3.704 8.474 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.477 4.382 10.234 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.306 3.453 9.793 1.00 0.00 N ATOM 0 H HIS A 70 -14.362 5.589 6.674 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.363 7.477 7.614 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.188 4.892 6.018 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.807 5.799 6.600 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.245 3.121 7.838 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.074 4.446 11.234 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.672 2.676 10.343 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.075 8.849 5.582 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.826 9.670 4.403 1.00 0.00 C ATOM 1050 C VAL A 71 -10.333 9.770 4.109 1.00 0.00 C ATOM 1051 O VAL A 71 -9.530 10.044 5.001 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.400 11.089 4.576 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.307 11.865 3.271 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.838 11.025 5.067 1.00 0.00 C ATOM 0 H VAL A 71 -11.936 9.332 6.470 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.327 9.183 3.566 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.807 11.614 5.326 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.717 12.865 3.412 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.263 11.941 2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.874 11.346 2.498 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.228 12.036 5.184 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.446 10.483 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.872 10.510 6.027 1.00 0.00 H new ATOM 1064 N LEU A 72 -9.967 9.545 2.852 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.570 9.610 2.438 1.00 0.00 C ATOM 1066 C LEU A 72 -8.358 10.716 1.409 1.00 0.00 C ATOM 1067 O LEU A 72 -8.761 10.589 0.252 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.126 8.266 1.858 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.708 8.216 1.290 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.722 7.758 2.354 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.651 7.298 0.077 1.00 0.00 C ATOM 0 H LEU A 72 -10.619 9.316 2.102 1.00 0.00 H new ATOM 0 HA LEU A 72 -7.966 9.836 3.317 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.210 7.510 2.639 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.823 7.986 1.068 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.429 9.221 0.974 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.718 7.729 1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.742 8.454 3.193 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -5.998 6.763 2.702 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.634 7.275 -0.314 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.951 6.291 0.368 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.327 7.670 -0.693 1.00 0.00 H new ATOM 1083 N THR A 73 -7.719 11.801 1.837 1.00 0.00 N ATOM 1084 CA THR A 73 -7.452 12.929 0.953 1.00 0.00 C ATOM 1085 C THR A 73 -5.994 12.944 0.507 1.00 0.00 C ATOM 1086 O THR A 73 -5.146 13.569 1.144 1.00 0.00 O ATOM 1087 CB THR A 73 -7.781 14.269 1.637 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.917 14.114 2.496 1.00 0.00 O ATOM 1089 CG2 THR A 73 -8.063 15.349 0.604 1.00 0.00 C ATOM 0 H THR A 73 -7.377 11.922 2.790 1.00 0.00 H new ATOM 0 HA THR A 73 -8.095 12.807 0.081 1.00 0.00 H new ATOM 0 HB THR A 73 -6.917 14.572 2.229 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.119 14.970 2.929 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.293 16.286 1.111 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.186 15.485 -0.029 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.912 15.051 -0.011 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.710 12.252 -0.591 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.353 12.187 -1.124 1.00 0.00 C ATOM 1099 C LEU A 74 -3.962 13.507 -1.780 1.00 0.00 C ATOM 1100 O LEU A 74 -4.260 13.742 -2.952 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.236 11.047 -2.137 1.00 0.00 C ATOM 1102 CG LEU A 74 -4.022 9.650 -1.553 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.365 8.583 -2.580 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.587 9.487 -1.072 1.00 0.00 C ATOM 0 H LEU A 74 -6.400 11.728 -1.129 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.672 11.999 -0.294 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.142 11.031 -2.742 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.407 11.269 -2.810 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.687 9.529 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.206 7.596 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.409 8.686 -2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.726 8.701 -3.455 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.453 8.487 -0.660 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.904 9.629 -1.910 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.375 10.229 -0.302 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.291 14.365 -1.018 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.857 15.661 -1.526 1.00 0.00 C ATOM 1118 C ARG A 75 -1.580 15.523 -2.349 1.00 0.00 C ATOM 1119 O ARG A 75 -0.782 14.612 -2.125 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.629 16.635 -0.369 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.771 16.669 0.633 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.383 17.424 1.894 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.181 18.633 2.076 1.00 0.00 N ATOM 1124 CZ ARG A 75 -3.916 19.787 1.473 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -2.879 19.887 0.653 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -4.690 20.843 1.690 1.00 0.00 N ATOM 0 H ARG A 75 -3.036 14.186 -0.047 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.643 16.052 -2.172 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.710 16.361 0.149 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.481 17.637 -0.772 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.642 17.141 0.178 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.060 15.650 0.892 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.509 16.773 2.759 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.327 17.690 1.846 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.986 18.589 2.700 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.283 19.077 0.484 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.678 20.774 0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.489 20.769 2.320 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.486 21.729 1.227 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.393 16.432 -3.301 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.213 16.410 -4.157 1.00 0.00 C ATOM 1142 C GLN A 76 -0.077 15.064 -4.862 1.00 0.00 C ATOM 1143 O GLN A 76 0.924 14.365 -4.699 1.00 0.00 O ATOM 1144 CB GLN A 76 1.044 16.699 -3.335 1.00 0.00 C ATOM 1145 CG GLN A 76 1.179 18.155 -2.921 1.00 0.00 C ATOM 1146 CD GLN A 76 2.625 18.592 -2.786 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.493 18.144 -3.536 1.00 0.00 O ATOM 1148 NE2 GLN A 76 2.890 19.471 -1.827 1.00 0.00 N ATOM 0 H GLN A 76 -2.043 17.192 -3.499 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.329 17.185 -4.914 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.035 16.075 -2.441 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.921 16.412 -3.915 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.680 18.786 -3.657 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.667 18.308 -1.971 1.00 0.00 H new ATOM 0 HE21 GLN A 76 2.139 19.815 -1.229 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.845 19.802 -1.688 1.00 0.00 H new ATOM 1157 N LEU A 77 -1.089 14.706 -5.644 1.00 0.00 N ATOM 1158 CA LEU A 77 -1.083 13.443 -6.374 1.00 0.00 C ATOM 1159 C LEU A 77 -0.194 13.534 -7.610 1.00 0.00 C ATOM 1160 O LEU A 77 0.381 14.583 -7.898 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.506 13.060 -6.781 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.335 12.333 -5.722 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.816 12.410 -6.057 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.889 10.883 -5.598 1.00 0.00 C ATOM 0 H LEU A 77 -1.925 15.273 -5.789 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.681 12.672 -5.716 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.037 13.968 -7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.451 12.428 -7.667 1.00 0.00 H new ATOM 0 HG LEU A 77 -3.175 12.825 -4.763 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.390 11.887 -5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -5.127 13.454 -6.093 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.995 11.944 -7.026 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.490 10.381 -4.840 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -3.019 10.379 -6.556 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.838 10.849 -5.309 1.00 0.00 H new ATOM 1176 N ALA A 78 -0.090 12.428 -8.340 1.00 0.00 N ATOM 1177 CA ALA A 78 0.725 12.383 -9.548 1.00 0.00 C ATOM 1178 C ALA A 78 0.097 11.475 -10.599 1.00 0.00 C ATOM 1179 O ALA A 78 -0.714 10.605 -10.279 1.00 0.00 O ATOM 1180 CB ALA A 78 2.134 11.916 -9.217 1.00 0.00 C ATOM 0 H ALA A 78 -0.560 11.551 -8.116 1.00 0.00 H new ATOM 0 HA ALA A 78 0.776 13.391 -9.960 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.731 11.887 -10.128 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.589 12.607 -8.507 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.093 10.919 -8.778 1.00 0.00 H new ATOM 1186 N LEU A 79 0.477 11.682 -11.856 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.049 10.881 -12.956 1.00 0.00 C ATOM 1188 C LEU A 79 0.344 9.416 -12.800 1.00 0.00 C ATOM 1189 O LEU A 79 -0.238 8.535 -13.433 1.00 0.00 O ATOM 1190 CB LEU A 79 0.462 11.419 -14.293 1.00 0.00 C ATOM 1191 CG LEU A 79 -0.037 12.807 -14.694 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.784 13.357 -15.850 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.513 12.758 -15.062 1.00 0.00 C ATOM 0 H LEU A 79 1.147 12.397 -12.138 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.137 10.949 -12.935 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.551 11.442 -14.260 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.182 10.714 -15.076 1.00 0.00 H new ATOM 0 HG LEU A 79 0.082 13.475 -13.841 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.414 14.346 -16.121 1.00 0.00 H new ATOM 0 HD12 LEU A 79 1.830 13.430 -15.551 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.698 12.690 -16.707 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.851 13.755 -15.345 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.657 12.075 -15.899 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.090 12.409 -14.206 1.00 0.00 H new ATOM 1205 N LYS A 80 1.334 9.162 -11.950 1.00 0.00 N ATOM 1206 CA LYS A 80 1.804 7.803 -11.707 1.00 0.00 C ATOM 1207 C LYS A 80 1.115 7.199 -10.487 1.00 0.00 C ATOM 1208 O LYS A 80 1.627 6.264 -9.873 1.00 0.00 O ATOM 1209 CB LYS A 80 3.321 7.794 -11.505 1.00 0.00 C ATOM 1210 CG LYS A 80 3.779 8.603 -10.304 1.00 0.00 C ATOM 1211 CD LYS A 80 5.112 9.283 -10.565 1.00 0.00 C ATOM 1212 CE LYS A 80 5.767 9.741 -9.271 1.00 0.00 C ATOM 1213 NZ LYS A 80 7.145 10.258 -9.500 1.00 0.00 N ATOM 0 H LYS A 80 1.826 9.880 -11.418 1.00 0.00 H new ATOM 0 HA LYS A 80 1.556 7.198 -12.579 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.658 6.764 -11.388 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.801 8.187 -12.401 1.00 0.00 H new ATOM 0 HG2 LYS A 80 3.027 9.355 -10.062 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.867 7.949 -9.436 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.777 8.595 -11.087 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.962 10.140 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 80 5.158 10.520 -8.812 1.00 0.00 H new ATOM 0 HE3 LYS A 80 5.803 8.909 -8.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 7.557 10.560 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.733 9.507 -9.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.108 11.068 -10.151 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.050 7.739 -10.144 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.810 7.252 -8.999 1.00 0.00 C ATOM 1229 C ASP A 81 -2.127 6.625 -9.448 1.00 0.00 C ATOM 1230 O ASP A 81 -2.717 5.816 -8.732 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.082 8.393 -8.017 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.080 7.928 -6.574 1.00 0.00 C ATOM 1233 OD1 ASP A 81 0.019 7.793 -5.997 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.177 7.698 -6.023 1.00 0.00 O ATOM 0 H ASP A 81 -0.488 8.514 -10.642 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.216 6.487 -8.499 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.327 9.168 -8.147 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.046 8.846 -8.248 1.00 0.00 H new ATOM 1239 N SER A 82 -2.582 7.007 -10.637 1.00 0.00 N ATOM 1240 CA SER A 82 -3.832 6.487 -11.180 1.00 0.00 C ATOM 1241 C SER A 82 -3.850 4.962 -11.136 1.00 0.00 C ATOM 1242 O SER A 82 -3.173 4.299 -11.921 1.00 0.00 O ATOM 1243 CB SER A 82 -4.028 6.969 -12.618 1.00 0.00 C ATOM 1244 OG SER A 82 -2.804 6.956 -13.332 1.00 0.00 O ATOM 0 H SER A 82 -2.104 7.674 -11.243 1.00 0.00 H new ATOM 0 HA SER A 82 -4.650 6.861 -10.565 1.00 0.00 H new ATOM 0 HB2 SER A 82 -4.754 6.331 -13.123 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.439 7.978 -12.614 1.00 0.00 H new ATOM 0 HG SER A 82 -2.367 6.086 -13.216 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.631 4.411 -10.211 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.723 2.969 -10.081 1.00 0.00 C ATOM 1252 C GLY A 83 -6.040 2.524 -9.476 1.00 0.00 C ATOM 1253 O GLY A 83 -7.099 2.689 -10.083 1.00 0.00 O ATOM 0 H GLY A 83 -5.201 4.938 -9.550 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.604 2.511 -11.063 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.902 2.610 -9.460 1.00 0.00 H new ATOM 1257 N THR A 84 -5.976 1.958 -8.275 1.00 0.00 N ATOM 1258 CA THR A 84 -7.171 1.485 -7.588 1.00 0.00 C ATOM 1259 C THR A 84 -6.936 1.378 -6.086 1.00 0.00 C ATOM 1260 O THR A 84 -6.178 0.524 -5.626 1.00 0.00 O ATOM 1261 CB THR A 84 -7.623 0.114 -8.125 1.00 0.00 C ATOM 1262 OG1 THR A 84 -7.756 0.165 -9.550 1.00 0.00 O ATOM 1263 CG2 THR A 84 -8.947 -0.302 -7.502 1.00 0.00 C ATOM 0 H THR A 84 -5.108 1.816 -7.758 1.00 0.00 H new ATOM 0 HA THR A 84 -7.955 2.218 -7.779 1.00 0.00 H new ATOM 0 HB THR A 84 -6.866 -0.623 -7.857 1.00 0.00 H new ATOM 0 HG1 THR A 84 -7.918 1.090 -9.831 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.246 -1.273 -7.897 1.00 0.00 H new ATOM 0 HG22 THR A 84 -8.835 -0.369 -6.420 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.711 0.438 -7.742 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.591 2.249 -5.325 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.454 2.249 -3.874 1.00 0.00 C ATOM 1273 C ILE A 85 -7.892 0.915 -3.280 1.00 0.00 C ATOM 1274 O ILE A 85 -9.065 0.547 -3.351 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.278 3.381 -3.231 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.850 4.737 -3.795 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.121 3.356 -1.718 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.426 5.113 -3.449 1.00 0.00 C ATOM 0 H ILE A 85 -8.221 2.963 -5.689 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.398 2.411 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.330 3.226 -3.470 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.960 4.721 -4.879 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.523 5.507 -3.417 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.709 4.161 -1.278 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.471 2.399 -1.332 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.071 3.490 -1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.191 6.086 -3.881 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.315 5.161 -2.366 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.744 4.363 -3.850 1.00 0.00 H new ATOM 1290 N TYR A 86 -6.943 0.196 -2.691 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.231 -1.098 -2.084 1.00 0.00 C ATOM 1292 C TYR A 86 -7.291 -0.985 -0.564 1.00 0.00 C ATOM 1293 O TYR A 86 -6.333 -1.318 0.133 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.169 -2.122 -2.489 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.367 -2.682 -3.879 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.457 -3.492 -4.175 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.464 -2.403 -4.898 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.642 -4.007 -5.443 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.642 -2.912 -6.169 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.732 -3.714 -6.437 1.00 0.00 C ATOM 1301 OH TYR A 86 -6.912 -4.224 -7.703 1.00 0.00 O ATOM 0 H TYR A 86 -5.968 0.487 -2.621 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.204 -1.432 -2.444 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.186 -1.655 -2.431 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.175 -2.943 -1.772 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.172 -3.723 -3.399 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.608 -1.777 -4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.494 -4.636 -5.655 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -4.931 -2.683 -6.950 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.183 -3.921 -8.284 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.426 -0.514 -0.057 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.613 -0.357 1.381 1.00 0.00 C ATOM 1313 C PHE A 87 -8.516 -1.703 2.093 1.00 0.00 C ATOM 1314 O PHE A 87 -8.818 -2.745 1.513 1.00 0.00 O ATOM 1315 CB PHE A 87 -9.969 0.291 1.672 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.246 0.468 3.137 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.634 1.485 3.853 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.119 -0.381 3.799 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.887 1.649 5.202 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.376 -0.221 5.147 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.760 0.797 5.849 1.00 0.00 C ATOM 0 H PHE A 87 -9.229 -0.235 -0.620 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.820 0.290 1.757 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.010 1.264 1.182 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.757 -0.321 1.233 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.952 2.156 3.352 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.604 -1.177 3.254 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.402 2.443 5.750 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.057 -0.891 5.651 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.961 0.926 6.902 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.092 -1.670 3.352 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.954 -2.888 4.143 1.00 0.00 C ATOM 1333 C GLU A 88 -8.477 -2.678 5.561 1.00 0.00 C ATOM 1334 O GLU A 88 -8.150 -1.688 6.214 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.490 -3.330 4.188 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.155 -4.429 3.194 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.692 -4.827 3.234 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.078 -4.717 4.316 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.162 -5.247 2.185 1.00 0.00 O ATOM 0 H GLU A 88 -7.838 -0.815 3.846 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.547 -3.669 3.667 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.853 -2.468 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.255 -3.678 5.194 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.771 -5.303 3.404 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.409 -4.094 2.188 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.292 -3.617 6.029 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.859 -3.537 7.370 1.00 0.00 C ATOM 1348 C ALA A 89 -10.418 -4.885 7.811 1.00 0.00 C ATOM 1349 O ALA A 89 -11.540 -5.249 7.459 1.00 0.00 O ATOM 1350 CB ALA A 89 -10.945 -2.472 7.420 1.00 0.00 C ATOM 0 H ALA A 89 -9.575 -4.442 5.500 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.061 -3.261 8.059 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.360 -2.423 8.427 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.518 -1.505 7.155 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.736 -2.725 6.714 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.628 -5.624 8.583 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.061 -6.925 9.059 1.00 0.00 C ATOM 1358 C GLY A 90 -9.920 -8.005 8.004 1.00 0.00 C ATOM 1359 O GLY A 90 -8.807 -8.364 7.619 1.00 0.00 O ATOM 0 H GLY A 90 -8.695 -5.345 8.888 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.476 -7.200 9.937 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.102 -6.864 9.376 1.00 0.00 H new ATOM 1363 N ASP A 91 -11.050 -8.525 7.538 1.00 0.00 N ATOM 1364 CA ASP A 91 -11.048 -9.570 6.521 1.00 0.00 C ATOM 1365 C ASP A 91 -11.719 -9.085 5.241 1.00 0.00 C ATOM 1366 O ASP A 91 -12.129 -9.887 4.402 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.759 -10.820 7.043 1.00 0.00 C ATOM 1368 CG ASP A 91 -11.200 -11.293 8.370 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -10.100 -11.886 8.373 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -11.861 -11.070 9.406 1.00 0.00 O ATOM 0 H ASP A 91 -11.979 -8.240 7.848 1.00 0.00 H new ATOM 0 HA ASP A 91 -10.012 -9.819 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.823 -10.609 7.155 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.668 -11.620 6.308 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.829 -7.768 5.099 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.453 -7.177 3.921 1.00 0.00 C ATOM 1377 C GLN A 92 -11.434 -6.393 3.100 1.00 0.00 C ATOM 1378 O GLN A 92 -10.253 -6.340 3.446 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.606 -6.259 4.335 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.793 -7.003 4.926 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.552 -7.808 3.890 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -16.269 -7.251 3.057 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -15.398 -9.126 3.935 1.00 0.00 N ATOM 0 H GLN A 92 -11.494 -7.091 5.784 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.844 -7.986 3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.240 -5.537 5.065 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.939 -5.693 3.465 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.443 -7.670 5.714 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.470 -6.287 5.392 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.794 -9.545 4.642 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.884 -9.719 3.262 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.897 -5.788 2.012 1.00 0.00 N ATOM 1393 CA ARG A 93 -11.025 -5.009 1.141 1.00 0.00 C ATOM 1394 C ARG A 93 -11.834 -4.282 0.071 1.00 0.00 C ATOM 1395 O ARG A 93 -12.495 -4.910 -0.755 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.986 -5.916 0.481 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.847 -5.158 -0.180 1.00 0.00 C ATOM 1398 CD ARG A 93 -8.158 -6.000 -1.242 1.00 0.00 C ATOM 1399 NE ARG A 93 -9.082 -6.414 -2.296 1.00 0.00 N ATOM 1400 CZ ARG A 93 -8.755 -7.255 -3.270 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -7.534 -7.770 -3.325 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -9.651 -7.584 -4.192 1.00 0.00 N ATOM 0 H ARG A 93 -12.871 -5.822 1.712 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.513 -4.266 1.752 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.575 -6.590 1.233 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.480 -6.536 -0.267 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.231 -4.244 -0.632 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.121 -4.859 0.576 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.339 -5.431 -1.681 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.719 -6.883 -0.777 1.00 0.00 H new ATOM 0 HE ARG A 93 -10.029 -6.036 -2.283 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.843 -7.520 -2.618 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.286 -8.416 -4.075 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.591 -7.191 -4.153 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.399 -8.230 -4.940 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.778 -2.954 0.094 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.504 -2.142 -0.875 1.00 0.00 C ATOM 1418 C ALA A 94 -11.698 -1.966 -2.157 1.00 0.00 C ATOM 1419 O ALA A 94 -10.532 -2.355 -2.227 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.848 -0.787 -0.275 1.00 0.00 C ATOM 0 H ALA A 94 -11.238 -2.418 0.773 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.429 -2.661 -1.127 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.390 -0.191 -1.009 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.470 -0.928 0.609 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.930 -0.270 0.006 1.00 0.00 H new ATOM 1426 N SER A 95 -12.326 -1.378 -3.170 1.00 0.00 N ATOM 1427 CA SER A 95 -11.669 -1.154 -4.452 1.00 0.00 C ATOM 1428 C SER A 95 -12.372 -0.052 -5.238 1.00 0.00 C ATOM 1429 O SER A 95 -13.492 -0.231 -5.714 1.00 0.00 O ATOM 1430 CB SER A 95 -11.648 -2.446 -5.270 1.00 0.00 C ATOM 1431 OG SER A 95 -12.939 -3.027 -5.340 1.00 0.00 O ATOM 0 H SER A 95 -13.290 -1.048 -3.127 1.00 0.00 H new ATOM 0 HA SER A 95 -10.644 -0.839 -4.257 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.285 -2.237 -6.276 1.00 0.00 H new ATOM 0 HB3 SER A 95 -10.951 -3.153 -4.820 1.00 0.00 H new ATOM 0 HG SER A 95 -13.616 -2.319 -5.359 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.704 1.090 -5.370 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.263 2.221 -6.100 1.00 0.00 C ATOM 1439 C ALA A 96 -11.353 2.635 -7.252 1.00 0.00 C ATOM 1440 O ALA A 96 -10.129 2.591 -7.135 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.493 3.395 -5.159 1.00 0.00 C ATOM 0 H ALA A 96 -10.776 1.256 -4.981 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.220 1.913 -6.520 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.911 4.233 -5.718 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.188 3.100 -4.373 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.545 3.694 -4.712 1.00 0.00 H new ATOM 1447 N ALA A 97 -11.959 3.036 -8.364 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.203 3.459 -9.537 1.00 0.00 C ATOM 1449 C ALA A 97 -10.566 4.826 -9.315 1.00 0.00 C ATOM 1450 O ALA A 97 -11.227 5.858 -9.436 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.103 3.486 -10.763 1.00 0.00 C ATOM 0 H ALA A 97 -12.972 3.077 -8.478 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.403 2.737 -9.703 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.526 3.804 -11.631 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.506 2.489 -10.940 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -12.923 4.185 -10.597 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.277 4.827 -8.990 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.550 6.069 -8.751 1.00 0.00 C ATOM 1459 C LEU A 98 -7.955 6.610 -10.047 1.00 0.00 C ATOM 1460 O LEU A 98 -6.879 6.188 -10.471 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.440 5.843 -7.723 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.350 6.913 -7.666 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -6.966 8.297 -7.541 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.399 6.644 -6.509 1.00 0.00 C ATOM 0 H LEU A 98 -8.715 3.982 -8.886 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.254 6.804 -8.361 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.897 5.765 -6.736 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -6.968 4.883 -7.933 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.781 6.874 -8.595 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.174 9.045 -7.502 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.605 8.490 -8.402 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.560 8.350 -6.629 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.629 7.416 -6.484 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -5.955 6.655 -5.571 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.931 5.669 -6.642 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.662 7.547 -10.670 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.204 8.147 -11.917 1.00 0.00 C ATOM 1478 C ARG A 99 -7.539 9.496 -11.659 1.00 0.00 C ATOM 1479 O ARG A 99 -7.986 10.269 -10.811 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.375 8.320 -12.885 1.00 0.00 C ATOM 1481 CG ARG A 99 -9.940 7.006 -13.400 1.00 0.00 C ATOM 1482 CD ARG A 99 -11.174 7.229 -14.259 1.00 0.00 C ATOM 1483 NE ARG A 99 -12.299 7.739 -13.480 1.00 0.00 N ATOM 1484 CZ ARG A 99 -13.432 8.171 -14.021 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -13.591 8.155 -15.338 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -14.411 8.621 -13.246 1.00 0.00 N ATOM 0 H ARG A 99 -9.554 7.907 -10.331 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.468 7.478 -12.364 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.169 8.876 -12.386 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.048 8.922 -13.733 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -9.180 6.485 -13.982 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -10.193 6.362 -12.557 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -10.938 7.932 -15.057 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -11.459 6.291 -14.735 1.00 0.00 H new ATOM 0 HE ARG A 99 -12.209 7.765 -12.464 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -12.842 7.810 -15.938 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -14.463 8.488 -15.751 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -14.294 8.635 -12.233 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -15.281 8.952 -13.664 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.468 9.773 -12.397 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.742 11.029 -12.249 1.00 0.00 C ATOM 1502 C VAL A 100 -5.149 11.481 -13.579 1.00 0.00 C ATOM 1503 O VAL A 100 -4.153 10.929 -14.048 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.610 10.904 -11.211 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.833 12.207 -11.109 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.173 10.501 -9.856 1.00 0.00 C ATOM 0 H VAL A 100 -6.084 9.145 -13.103 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.461 11.772 -11.904 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.923 10.124 -11.540 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.038 12.100 -10.371 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.398 12.448 -12.079 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.505 13.009 -10.804 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.360 10.417 -9.135 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.882 11.256 -9.517 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.681 9.540 -9.944 1.00 0.00 H new ATOM 1516 N THR A 101 -5.769 12.490 -14.184 1.00 0.00 N ATOM 1517 CA THR A 101 -5.304 13.016 -15.461 1.00 0.00 C ATOM 1518 C THR A 101 -4.286 14.133 -15.257 1.00 0.00 C ATOM 1519 O THR A 101 -4.077 14.597 -14.137 1.00 0.00 O ATOM 1520 CB THR A 101 -6.474 13.552 -16.307 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.951 14.785 -15.758 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.610 12.542 -16.361 1.00 0.00 C ATOM 0 H THR A 101 -6.594 12.959 -13.810 1.00 0.00 H new ATOM 0 HA THR A 101 -4.831 12.189 -15.991 1.00 0.00 H new ATOM 0 HB THR A 101 -6.112 13.722 -17.321 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.694 15.120 -16.303 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.425 12.943 -16.964 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.251 11.614 -16.807 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.969 12.344 -15.351 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.656 14.559 -16.348 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.659 15.622 -16.287 1.00 0.00 C ATOM 1532 C GLU A 102 -3.228 16.863 -15.606 1.00 0.00 C ATOM 1533 O GLU A 102 -4.438 16.976 -15.404 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.173 15.977 -17.693 1.00 0.00 C ATOM 1535 CG GLU A 102 -0.941 15.199 -18.125 1.00 0.00 C ATOM 1536 CD GLU A 102 -0.880 14.988 -19.626 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -1.857 14.451 -20.189 1.00 0.00 O ATOM 1538 OE2 GLU A 102 0.144 15.360 -20.236 1.00 0.00 O ATOM 0 H GLU A 102 -3.818 14.185 -17.283 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.815 15.260 -15.699 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.978 15.791 -18.404 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.952 17.044 -17.733 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -0.047 15.732 -17.800 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.934 14.230 -17.625 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.348 17.793 -15.252 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.760 19.027 -14.594 1.00 0.00 C ATOM 1547 C LYS A 103 -2.243 20.246 -15.351 1.00 0.00 C ATOM 1548 O LYS A 103 -1.260 20.178 -16.089 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.249 19.055 -13.151 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.835 19.594 -13.018 1.00 0.00 C ATOM 1551 CD LYS A 103 0.167 18.718 -13.750 1.00 0.00 C ATOM 1552 CE LYS A 103 1.598 19.126 -13.435 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.549 18.670 -14.487 1.00 0.00 N ATOM 0 H LYS A 103 -1.343 17.715 -15.410 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.849 19.060 -14.588 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.920 19.667 -12.548 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.284 18.045 -12.742 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.792 20.608 -13.416 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.565 19.654 -11.964 1.00 0.00 H new ATOM 0 HD2 LYS A 103 0.014 17.676 -13.469 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -0.004 18.787 -14.824 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.654 20.210 -13.340 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.892 18.706 -12.473 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 3.513 18.967 -14.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 2.515 17.633 -14.560 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 2.284 19.091 -15.400 1.00 0.00 H new