USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 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 Set 1.1: A 26 GLN : amide:sc=-0.00754 X(o=-0.48,f=-0.8) USER MOD Set 1.2: A 29 SER OG : rot -169:sc= -0.468 USER MOD Single : A 15 HIS : no HD1:sc= -0.169 K(o=-0.17,f=-1.1) USER MOD Single : A 30 SER OG : rot 180:sc= 0.0104 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 CYS SG : rot -19:sc= -0.256 USER MOD Single : A 38 SER OG : rot 180:sc= -0.516 USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 51 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00795) USER MOD Single : A 52 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 55 HIS : no HD1:sc= -0.279 X(o=-0.28,f=-0.76) USER MOD Single : A 57 ASN : amide:sc= -0.199 X(o=-0.2,f=-0.12) USER MOD Single : A 60 ASN : amide:sc= -0.288 K(o=-0.29,f=-2.7!) USER MOD Single : A 65 GLN : amide:sc= -0.372 K(o=-0.37,f=-3.5!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.475 USER MOD Single : A 70 HIS : no HD1:sc= -2.41 X(o=-2.4,f=-2.1) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -1.42 K(o=-1.4,f=-3.2!) USER MOD Single : A 80 LYS NZ :NH3+ -113:sc= -0.0875 (180deg=-1.74) USER MOD Single : A 82 SER OG : rot 87:sc= 0.633 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.275 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -0.0223 X(o=-0.022,f=-0.022) USER MOD Single : A 95 SER OG : rot 35:sc= 0.154 USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 LYS NZ :NH3+ -135:sc= -0.0738 (180deg=-1.07) USER MOD ----------------------------------------------------------------- ATOM 173 N VAL A 14 -15.042 -7.323 10.010 1.00 0.00 N ATOM 174 CA VAL A 14 -15.337 -6.078 9.310 1.00 0.00 C ATOM 175 C VAL A 14 -16.352 -6.302 8.194 1.00 0.00 C ATOM 176 O VAL A 14 -16.283 -7.294 7.468 1.00 0.00 O ATOM 177 CB VAL A 14 -14.062 -5.455 8.711 1.00 0.00 C ATOM 178 CG1 VAL A 14 -14.409 -4.248 7.853 1.00 0.00 C ATOM 179 CG2 VAL A 14 -13.087 -5.072 9.815 1.00 0.00 C ATOM 0 HA VAL A 14 -15.756 -5.393 10.047 1.00 0.00 H new ATOM 0 HB VAL A 14 -13.581 -6.197 8.074 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -13.496 -3.821 7.439 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -15.067 -4.556 7.040 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -14.914 -3.500 8.464 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -12.192 -4.633 9.374 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -13.557 -4.347 10.480 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -12.813 -5.961 10.383 1.00 0.00 H new ATOM 189 N HIS A 15 -17.294 -5.373 8.064 1.00 0.00 N ATOM 190 CA HIS A 15 -18.324 -5.468 7.035 1.00 0.00 C ATOM 191 C HIS A 15 -18.433 -4.162 6.254 1.00 0.00 C ATOM 192 O HIS A 15 -18.986 -3.178 6.746 1.00 0.00 O ATOM 193 CB HIS A 15 -19.673 -5.814 7.665 1.00 0.00 C ATOM 194 CG HIS A 15 -19.780 -7.241 8.107 1.00 0.00 C ATOM 195 ND1 HIS A 15 -18.982 -8.246 7.604 1.00 0.00 N ATOM 196 CD2 HIS A 15 -20.597 -7.829 9.012 1.00 0.00 C ATOM 197 CE1 HIS A 15 -19.304 -9.391 8.179 1.00 0.00 C ATOM 198 NE2 HIS A 15 -20.282 -9.165 9.037 1.00 0.00 N ATOM 0 H HIS A 15 -17.365 -4.547 8.658 1.00 0.00 H new ATOM 0 HA HIS A 15 -18.041 -6.262 6.343 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -19.842 -5.163 8.523 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -20.465 -5.605 6.946 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -21.355 -7.338 9.604 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -18.846 -10.349 7.981 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -20.731 -9.869 9.623 1.00 0.00 H new ATOM 206 N ILE A 16 -17.903 -4.161 5.036 1.00 0.00 N ATOM 207 CA ILE A 16 -17.942 -2.977 4.187 1.00 0.00 C ATOM 208 C ILE A 16 -19.371 -2.474 4.010 1.00 0.00 C ATOM 209 O ILE A 16 -20.136 -3.016 3.212 1.00 0.00 O ATOM 210 CB ILE A 16 -17.333 -3.257 2.801 1.00 0.00 C ATOM 211 CG1 ILE A 16 -15.898 -3.768 2.944 1.00 0.00 C ATOM 212 CG2 ILE A 16 -17.370 -2.001 1.942 1.00 0.00 C ATOM 213 CD1 ILE A 16 -14.948 -2.748 3.531 1.00 0.00 C ATOM 0 H ILE A 16 -17.441 -4.967 4.615 1.00 0.00 H new ATOM 0 HA ILE A 16 -17.349 -2.211 4.687 1.00 0.00 H new ATOM 0 HB ILE A 16 -17.926 -4.028 2.309 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -15.899 -4.657 3.575 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -15.530 -4.073 1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -16.936 -2.215 0.965 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -18.403 -1.676 1.817 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -16.798 -1.211 2.428 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -13.950 -3.180 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.917 -1.868 2.889 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -15.291 -2.461 4.525 1.00 0.00 H new ATOM 225 N ILE A 17 -19.723 -1.434 4.758 1.00 0.00 N ATOM 226 CA ILE A 17 -21.059 -0.856 4.681 1.00 0.00 C ATOM 227 C ILE A 17 -21.242 -0.064 3.391 1.00 0.00 C ATOM 228 O ILE A 17 -22.095 -0.392 2.567 1.00 0.00 O ATOM 229 CB ILE A 17 -21.344 0.066 5.881 1.00 0.00 C ATOM 230 CG1 ILE A 17 -20.926 -0.615 7.186 1.00 0.00 C ATOM 231 CG2 ILE A 17 -22.817 0.442 5.923 1.00 0.00 C ATOM 232 CD1 ILE A 17 -21.162 0.235 8.415 1.00 0.00 C ATOM 0 H ILE A 17 -19.102 -0.974 5.424 1.00 0.00 H new ATOM 0 HA ILE A 17 -21.764 -1.688 4.697 1.00 0.00 H new ATOM 0 HB ILE A 17 -20.759 0.979 5.765 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -21.476 -1.550 7.290 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -19.868 -0.872 7.130 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -23.002 1.094 6.777 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -23.086 0.963 5.004 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.420 -0.461 6.018 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -20.843 -0.312 9.302 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -20.591 1.160 8.333 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -22.223 0.470 8.496 1.00 0.00 H new ATOM 244 N GLU A 18 -20.434 0.978 3.223 1.00 0.00 N ATOM 245 CA GLU A 18 -20.507 1.816 2.032 1.00 0.00 C ATOM 246 C GLU A 18 -19.151 1.894 1.338 1.00 0.00 C ATOM 247 O GLU A 18 -18.416 2.868 1.496 1.00 0.00 O ATOM 248 CB GLU A 18 -20.986 3.222 2.399 1.00 0.00 C ATOM 249 CG GLU A 18 -22.231 3.233 3.271 1.00 0.00 C ATOM 250 CD GLU A 18 -22.878 4.603 3.346 1.00 0.00 C ATOM 251 OE1 GLU A 18 -22.501 5.483 2.545 1.00 0.00 O ATOM 252 OE2 GLU A 18 -23.762 4.793 4.207 1.00 0.00 O ATOM 0 H GLU A 18 -19.722 1.262 3.896 1.00 0.00 H new ATOM 0 HA GLU A 18 -21.222 1.364 1.345 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -20.184 3.746 2.919 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -21.189 3.778 1.484 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -22.952 2.516 2.878 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -21.969 2.903 4.276 1.00 0.00 H new ATOM 259 N ASP A 19 -18.826 0.860 0.569 1.00 0.00 N ATOM 260 CA ASP A 19 -17.559 0.810 -0.150 1.00 0.00 C ATOM 261 C ASP A 19 -17.343 2.085 -0.960 1.00 0.00 C ATOM 262 O ASP A 19 -18.289 2.822 -1.241 1.00 0.00 O ATOM 263 CB ASP A 19 -17.520 -0.408 -1.074 1.00 0.00 C ATOM 264 CG ASP A 19 -16.105 -0.821 -1.429 1.00 0.00 C ATOM 265 OD1 ASP A 19 -15.502 -0.175 -2.312 1.00 0.00 O ATOM 266 OD2 ASP A 19 -15.600 -1.788 -0.823 1.00 0.00 O ATOM 0 H ASP A 19 -19.423 0.045 0.428 1.00 0.00 H new ATOM 0 HA ASP A 19 -16.757 0.726 0.583 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -18.029 -1.243 -0.592 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -18.070 -0.185 -1.988 1.00 0.00 H new ATOM 271 N LEU A 20 -16.093 2.339 -1.331 1.00 0.00 N ATOM 272 CA LEU A 20 -15.753 3.526 -2.108 1.00 0.00 C ATOM 273 C LEU A 20 -16.580 3.595 -3.388 1.00 0.00 C ATOM 274 O LEU A 20 -17.355 2.688 -3.686 1.00 0.00 O ATOM 275 CB LEU A 20 -14.262 3.525 -2.450 1.00 0.00 C ATOM 276 CG LEU A 20 -13.305 3.288 -1.281 1.00 0.00 C ATOM 277 CD1 LEU A 20 -12.137 2.417 -1.716 1.00 0.00 C ATOM 278 CD2 LEU A 20 -12.806 4.613 -0.723 1.00 0.00 C ATOM 0 H LEU A 20 -15.299 1.740 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 20 -15.981 4.404 -1.503 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.083 2.756 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.014 4.483 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 20 -13.847 2.766 -0.493 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.467 2.259 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -12.511 1.455 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -11.595 2.911 -2.522 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.126 4.425 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.281 5.162 -1.504 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -13.653 5.202 -0.372 1.00 0.00 H new ATOM 290 N GLU A 21 -16.406 4.677 -4.141 1.00 0.00 N ATOM 291 CA GLU A 21 -17.136 4.863 -5.390 1.00 0.00 C ATOM 292 C GLU A 21 -16.174 5.046 -6.560 1.00 0.00 C ATOM 293 O GLU A 21 -15.970 4.132 -7.359 1.00 0.00 O ATOM 294 CB GLU A 21 -18.068 6.072 -5.287 1.00 0.00 C ATOM 295 CG GLU A 21 -17.627 7.094 -4.252 1.00 0.00 C ATOM 296 CD GLU A 21 -18.123 8.492 -4.565 1.00 0.00 C ATOM 297 OE1 GLU A 21 -19.353 8.673 -4.683 1.00 0.00 O ATOM 298 OE2 GLU A 21 -17.281 9.405 -4.691 1.00 0.00 O ATOM 0 H GLU A 21 -15.767 5.437 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 21 -17.732 3.968 -5.569 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -18.129 6.557 -6.261 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.072 5.726 -5.039 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -17.994 6.793 -3.271 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -16.538 7.103 -4.196 1.00 0.00 H new ATOM 305 N ASP A 22 -15.587 6.234 -6.654 1.00 0.00 N ATOM 306 CA ASP A 22 -14.646 6.539 -7.726 1.00 0.00 C ATOM 307 C ASP A 22 -14.132 7.970 -7.608 1.00 0.00 C ATOM 308 O ASP A 22 -14.742 8.806 -6.940 1.00 0.00 O ATOM 309 CB ASP A 22 -15.308 6.332 -9.089 1.00 0.00 C ATOM 310 CG ASP A 22 -16.697 6.937 -9.155 1.00 0.00 C ATOM 311 OD1 ASP A 22 -16.969 7.885 -8.389 1.00 0.00 O ATOM 312 OD2 ASP A 22 -17.512 6.462 -9.974 1.00 0.00 O ATOM 0 H ASP A 22 -15.746 7.001 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 22 -13.798 5.860 -7.636 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -14.684 6.776 -9.864 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -15.369 5.265 -9.302 1.00 0.00 H new ATOM 317 N VAL A 23 -13.007 8.246 -8.259 1.00 0.00 N ATOM 318 CA VAL A 23 -12.411 9.576 -8.227 1.00 0.00 C ATOM 319 C VAL A 23 -11.644 9.866 -9.512 1.00 0.00 C ATOM 320 O VAL A 23 -10.943 9.001 -10.038 1.00 0.00 O ATOM 321 CB VAL A 23 -11.459 9.736 -7.027 1.00 0.00 C ATOM 322 CG1 VAL A 23 -10.824 11.119 -7.030 1.00 0.00 C ATOM 323 CG2 VAL A 23 -12.200 9.484 -5.723 1.00 0.00 C ATOM 0 H VAL A 23 -12.490 7.566 -8.815 1.00 0.00 H new ATOM 0 HA VAL A 23 -13.231 10.287 -8.128 1.00 0.00 H new ATOM 0 HB VAL A 23 -10.663 8.997 -7.115 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -10.155 11.214 -6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -10.258 11.257 -7.951 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -11.604 11.878 -6.966 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -11.512 9.601 -4.885 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -13.017 10.199 -5.625 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -12.602 8.471 -5.723 1.00 0.00 H new ATOM 333 N ASP A 24 -11.781 11.089 -10.014 1.00 0.00 N ATOM 334 CA ASP A 24 -11.099 11.494 -11.238 1.00 0.00 C ATOM 335 C ASP A 24 -10.763 12.981 -11.205 1.00 0.00 C ATOM 336 O ASP A 24 -11.631 13.830 -11.410 1.00 0.00 O ATOM 337 CB ASP A 24 -11.968 11.182 -12.458 1.00 0.00 C ATOM 338 CG ASP A 24 -13.369 11.746 -12.331 1.00 0.00 C ATOM 339 OD1 ASP A 24 -14.209 11.106 -11.664 1.00 0.00 O ATOM 340 OD2 ASP A 24 -13.625 12.829 -12.898 1.00 0.00 O ATOM 0 H ASP A 24 -12.358 11.817 -9.592 1.00 0.00 H new ATOM 0 HA ASP A 24 -10.169 10.931 -11.310 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -11.495 11.590 -13.351 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -12.025 10.102 -12.593 1.00 0.00 H new ATOM 345 N VAL A 25 -9.496 13.291 -10.944 1.00 0.00 N ATOM 346 CA VAL A 25 -9.044 14.675 -10.884 1.00 0.00 C ATOM 347 C VAL A 25 -7.589 14.798 -11.322 1.00 0.00 C ATOM 348 O VAL A 25 -6.845 13.818 -11.316 1.00 0.00 O ATOM 349 CB VAL A 25 -9.192 15.253 -9.464 1.00 0.00 C ATOM 350 CG1 VAL A 25 -10.612 15.064 -8.955 1.00 0.00 C ATOM 351 CG2 VAL A 25 -8.188 14.607 -8.520 1.00 0.00 C ATOM 0 H VAL A 25 -8.765 12.601 -10.771 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.675 15.244 -11.567 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.986 16.323 -9.502 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.697 15.479 -7.951 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.308 15.577 -9.619 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.851 14.001 -8.930 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -8.306 15.027 -7.521 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -8.362 13.531 -8.485 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -7.176 14.800 -8.877 1.00 0.00 H new ATOM 361 N GLN A 26 -7.191 16.008 -11.702 1.00 0.00 N ATOM 362 CA GLN A 26 -5.825 16.259 -12.144 1.00 0.00 C ATOM 363 C GLN A 26 -4.823 15.880 -11.058 1.00 0.00 C ATOM 364 O GLN A 26 -5.114 15.993 -9.867 1.00 0.00 O ATOM 365 CB GLN A 26 -5.651 17.730 -12.525 1.00 0.00 C ATOM 366 CG GLN A 26 -5.804 18.684 -11.351 1.00 0.00 C ATOM 367 CD GLN A 26 -7.149 19.383 -11.340 1.00 0.00 C ATOM 368 OE1 GLN A 26 -8.056 18.998 -10.601 1.00 0.00 O ATOM 369 NE2 GLN A 26 -7.286 20.418 -12.161 1.00 0.00 N ATOM 0 H GLN A 26 -7.795 16.830 -11.713 1.00 0.00 H new ATOM 0 HA GLN A 26 -5.634 15.640 -13.021 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.665 17.868 -12.968 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -6.383 17.988 -13.290 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -5.678 18.132 -10.420 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -5.011 19.431 -11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -6.508 20.703 -12.756 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -8.169 20.928 -12.196 1.00 0.00 H new ATOM 378 N GLU A 27 -3.644 15.431 -11.477 1.00 0.00 N ATOM 379 CA GLU A 27 -2.601 15.035 -10.538 1.00 0.00 C ATOM 380 C GLU A 27 -2.167 16.218 -9.677 1.00 0.00 C ATOM 381 O GLU A 27 -2.206 17.367 -10.116 1.00 0.00 O ATOM 382 CB GLU A 27 -1.396 14.468 -11.290 1.00 0.00 C ATOM 383 CG GLU A 27 -0.410 15.530 -11.750 1.00 0.00 C ATOM 384 CD GLU A 27 0.768 15.680 -10.807 1.00 0.00 C ATOM 385 OE1 GLU A 27 0.640 16.426 -9.813 1.00 0.00 O ATOM 386 OE2 GLU A 27 1.816 15.052 -11.062 1.00 0.00 O ATOM 0 H GLU A 27 -3.387 15.332 -12.459 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.009 14.263 -9.885 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.878 13.758 -10.646 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -1.749 13.912 -12.158 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.044 15.274 -12.744 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.926 16.486 -11.836 1.00 0.00 H new ATOM 393 N GLY A 28 -1.753 15.927 -8.447 1.00 0.00 N ATOM 394 CA GLY A 28 -1.318 16.976 -7.543 1.00 0.00 C ATOM 395 C GLY A 28 -2.443 17.490 -6.667 1.00 0.00 C ATOM 396 O GLY A 28 -2.200 18.151 -5.658 1.00 0.00 O ATOM 0 H GLY A 28 -1.711 14.984 -8.061 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -0.514 16.597 -6.912 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -0.906 17.802 -8.122 1.00 0.00 H new ATOM 400 N SER A 29 -3.678 17.188 -7.055 1.00 0.00 N ATOM 401 CA SER A 29 -4.845 17.629 -6.300 1.00 0.00 C ATOM 402 C SER A 29 -5.143 16.671 -5.151 1.00 0.00 C ATOM 403 O SER A 29 -4.388 15.732 -4.900 1.00 0.00 O ATOM 404 CB SER A 29 -6.063 17.734 -7.220 1.00 0.00 C ATOM 405 OG SER A 29 -5.892 18.765 -8.177 1.00 0.00 O ATOM 0 H SER A 29 -3.896 16.640 -7.887 1.00 0.00 H new ATOM 0 HA SER A 29 -4.627 18.612 -5.883 1.00 0.00 H new ATOM 0 HB2 SER A 29 -6.221 16.783 -7.729 1.00 0.00 H new ATOM 0 HB3 SER A 29 -6.956 17.929 -6.626 1.00 0.00 H new ATOM 0 HG SER A 29 -6.742 18.929 -8.636 1.00 0.00 H new ATOM 411 N SER A 30 -6.249 16.916 -4.456 1.00 0.00 N ATOM 412 CA SER A 30 -6.646 16.078 -3.331 1.00 0.00 C ATOM 413 C SER A 30 -7.865 15.232 -3.686 1.00 0.00 C ATOM 414 O SER A 30 -8.985 15.737 -3.759 1.00 0.00 O ATOM 415 CB SER A 30 -6.952 16.943 -2.106 1.00 0.00 C ATOM 416 OG SER A 30 -7.200 18.287 -2.481 1.00 0.00 O ATOM 0 H SER A 30 -6.886 17.688 -4.652 1.00 0.00 H new ATOM 0 HA SER A 30 -5.817 15.410 -3.098 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.819 16.542 -1.581 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.113 16.905 -1.411 1.00 0.00 H new ATOM 0 HG SER A 30 -7.395 18.819 -1.681 1.00 0.00 H new ATOM 422 N ALA A 31 -7.638 13.941 -3.907 1.00 0.00 N ATOM 423 CA ALA A 31 -8.716 13.024 -4.253 1.00 0.00 C ATOM 424 C ALA A 31 -9.311 12.380 -3.006 1.00 0.00 C ATOM 425 O ALA A 31 -8.690 11.518 -2.382 1.00 0.00 O ATOM 426 CB ALA A 31 -8.213 11.955 -5.212 1.00 0.00 C ATOM 0 H ALA A 31 -6.717 13.507 -3.852 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.502 13.597 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -9.029 11.277 -5.462 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -7.843 12.428 -6.122 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.406 11.394 -4.740 1.00 0.00 H new ATOM 432 N THR A 32 -10.518 12.804 -2.645 1.00 0.00 N ATOM 433 CA THR A 32 -11.196 12.271 -1.470 1.00 0.00 C ATOM 434 C THR A 32 -11.757 10.880 -1.743 1.00 0.00 C ATOM 435 O THR A 32 -12.383 10.644 -2.777 1.00 0.00 O ATOM 436 CB THR A 32 -12.342 13.194 -1.015 1.00 0.00 C ATOM 437 OG1 THR A 32 -11.826 14.487 -0.679 1.00 0.00 O ATOM 438 CG2 THR A 32 -13.068 12.604 0.185 1.00 0.00 C ATOM 0 H THR A 32 -11.046 13.516 -3.150 1.00 0.00 H new ATOM 0 HA THR A 32 -10.452 12.211 -0.676 1.00 0.00 H new ATOM 0 HB THR A 32 -13.051 13.289 -1.838 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.561 15.068 -0.392 1.00 0.00 H new ATOM 0 HG21 THR A 32 -13.873 13.273 0.488 1.00 0.00 H new ATOM 0 HG22 THR A 32 -13.485 11.633 -0.083 1.00 0.00 H new ATOM 0 HG23 THR A 32 -12.367 12.482 1.011 1.00 0.00 H new ATOM 446 N PHE A 33 -11.530 9.961 -0.810 1.00 0.00 N ATOM 447 CA PHE A 33 -12.013 8.593 -0.951 1.00 0.00 C ATOM 448 C PHE A 33 -12.793 8.161 0.287 1.00 0.00 C ATOM 449 O PHE A 33 -12.232 7.576 1.214 1.00 0.00 O ATOM 450 CB PHE A 33 -10.842 7.638 -1.189 1.00 0.00 C ATOM 451 CG PHE A 33 -10.420 7.553 -2.628 1.00 0.00 C ATOM 452 CD1 PHE A 33 -11.170 6.830 -3.542 1.00 0.00 C ATOM 453 CD2 PHE A 33 -9.274 8.196 -3.067 1.00 0.00 C ATOM 454 CE1 PHE A 33 -10.784 6.749 -4.866 1.00 0.00 C ATOM 455 CE2 PHE A 33 -8.883 8.120 -4.391 1.00 0.00 C ATOM 456 CZ PHE A 33 -9.640 7.396 -5.292 1.00 0.00 C ATOM 0 H PHE A 33 -11.014 10.139 0.052 1.00 0.00 H new ATOM 0 HA PHE A 33 -12.682 8.558 -1.811 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -9.992 7.961 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -11.119 6.643 -0.841 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -12.067 6.324 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -8.679 8.763 -2.367 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -11.376 6.180 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.987 8.626 -4.720 1.00 0.00 H new ATOM 0 HZ PHE A 33 -9.338 7.336 -6.327 1.00 0.00 H new ATOM 466 N ARG A 34 -14.089 8.455 0.296 1.00 0.00 N ATOM 467 CA ARG A 34 -14.946 8.099 1.420 1.00 0.00 C ATOM 468 C ARG A 34 -15.394 6.644 1.323 1.00 0.00 C ATOM 469 O ARG A 34 -15.618 6.124 0.229 1.00 0.00 O ATOM 470 CB ARG A 34 -16.168 9.018 1.469 1.00 0.00 C ATOM 471 CG ARG A 34 -16.357 9.710 2.809 1.00 0.00 C ATOM 472 CD ARG A 34 -17.733 10.348 2.917 1.00 0.00 C ATOM 473 NE ARG A 34 -17.659 11.735 3.368 1.00 0.00 N ATOM 474 CZ ARG A 34 -17.282 12.742 2.589 1.00 0.00 C ATOM 475 NH1 ARG A 34 -16.947 12.518 1.326 1.00 0.00 N ATOM 476 NH2 ARG A 34 -17.240 13.977 3.072 1.00 0.00 N ATOM 0 H ARG A 34 -14.569 8.939 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 34 -14.370 8.223 2.337 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -16.075 9.774 0.689 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.060 8.434 1.242 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.225 8.988 3.615 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.590 10.473 2.937 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -18.228 10.308 1.947 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -18.346 9.773 3.611 1.00 0.00 H new ATOM 0 HE ARG A 34 -17.911 11.942 4.335 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -16.979 11.570 0.950 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -16.658 13.293 0.730 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -17.498 14.154 4.043 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -16.950 14.750 2.472 1.00 0.00 H new ATOM 490 N CYS A 35 -15.522 5.992 2.473 1.00 0.00 N ATOM 491 CA CYS A 35 -15.942 4.595 2.518 1.00 0.00 C ATOM 492 C CYS A 35 -16.351 4.196 3.932 1.00 0.00 C ATOM 493 O CYS A 35 -15.559 4.294 4.869 1.00 0.00 O ATOM 494 CB CYS A 35 -14.816 3.686 2.024 1.00 0.00 C ATOM 495 SG CYS A 35 -13.232 3.957 2.851 1.00 0.00 S ATOM 0 H CYS A 35 -15.341 6.408 3.387 1.00 0.00 H new ATOM 0 HA CYS A 35 -16.806 4.479 1.863 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -15.114 2.647 2.165 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -14.685 3.838 0.953 1.00 0.00 H new ATOM 0 HG CYS A 35 -13.231 5.129 3.413 1.00 0.00 H new ATOM 501 N ARG A 36 -17.593 3.747 4.079 1.00 0.00 N ATOM 502 CA ARG A 36 -18.108 3.335 5.379 1.00 0.00 C ATOM 503 C ARG A 36 -17.817 1.860 5.637 1.00 0.00 C ATOM 504 O ARG A 36 -18.201 0.994 4.850 1.00 0.00 O ATOM 505 CB ARG A 36 -19.615 3.590 5.459 1.00 0.00 C ATOM 506 CG ARG A 36 -20.118 3.831 6.872 1.00 0.00 C ATOM 507 CD ARG A 36 -21.637 3.798 6.936 1.00 0.00 C ATOM 508 NE ARG A 36 -22.139 4.204 8.246 1.00 0.00 N ATOM 509 CZ ARG A 36 -23.421 4.435 8.503 1.00 0.00 C ATOM 510 NH1 ARG A 36 -24.327 4.301 7.544 1.00 0.00 N ATOM 511 NH2 ARG A 36 -23.800 4.801 9.721 1.00 0.00 N ATOM 0 H ARG A 36 -18.261 3.659 3.314 1.00 0.00 H new ATOM 0 HA ARG A 36 -17.605 3.926 6.144 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -19.862 4.454 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -20.142 2.735 5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -19.708 3.073 7.539 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -19.759 4.797 7.228 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -22.046 4.457 6.171 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -21.987 2.791 6.710 1.00 0.00 H new ATOM 0 HE ARG A 36 -21.468 4.316 9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -24.040 4.020 6.607 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -25.311 4.479 7.744 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -23.106 4.905 10.461 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -24.785 4.978 9.917 1.00 0.00 H new ATOM 525 N ILE A 37 -17.135 1.582 6.744 1.00 0.00 N ATOM 526 CA ILE A 37 -16.793 0.212 7.105 1.00 0.00 C ATOM 527 C ILE A 37 -17.049 -0.046 8.586 1.00 0.00 C ATOM 528 O ILE A 37 -16.663 0.751 9.441 1.00 0.00 O ATOM 529 CB ILE A 37 -15.319 -0.103 6.787 1.00 0.00 C ATOM 530 CG1 ILE A 37 -14.394 0.751 7.656 1.00 0.00 C ATOM 531 CG2 ILE A 37 -15.034 0.131 5.311 1.00 0.00 C ATOM 532 CD1 ILE A 37 -13.820 0.007 8.841 1.00 0.00 C ATOM 0 H ILE A 37 -16.809 2.287 7.405 1.00 0.00 H new ATOM 0 HA ILE A 37 -17.432 -0.440 6.509 1.00 0.00 H new ATOM 0 HB ILE A 37 -15.130 -1.153 7.011 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -13.575 1.126 7.042 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -14.946 1.619 8.015 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.989 -0.096 5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -15.673 -0.516 4.710 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -15.236 1.173 5.062 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -13.174 0.674 9.412 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -14.632 -0.345 9.478 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -13.240 -0.846 8.489 1.00 0.00 H new ATOM 544 N SER A 38 -17.699 -1.167 8.882 1.00 0.00 N ATOM 545 CA SER A 38 -18.008 -1.530 10.260 1.00 0.00 C ATOM 546 C SER A 38 -16.904 -2.399 10.854 1.00 0.00 C ATOM 547 O SER A 38 -16.203 -3.125 10.148 1.00 0.00 O ATOM 548 CB SER A 38 -19.346 -2.269 10.328 1.00 0.00 C ATOM 549 OG SER A 38 -19.336 -3.249 11.351 1.00 0.00 O ATOM 0 H SER A 38 -18.022 -1.839 8.186 1.00 0.00 H new ATOM 0 HA SER A 38 -18.078 -0.612 10.844 1.00 0.00 H new ATOM 0 HB2 SER A 38 -20.150 -1.556 10.511 1.00 0.00 H new ATOM 0 HB3 SER A 38 -19.553 -2.743 9.368 1.00 0.00 H new ATOM 0 HG SER A 38 -20.203 -3.706 11.375 1.00 0.00 H new ATOM 555 N PRO A 39 -16.743 -2.324 12.183 1.00 0.00 N ATOM 556 CA PRO A 39 -17.570 -1.463 13.034 1.00 0.00 C ATOM 557 C PRO A 39 -17.279 0.018 12.817 1.00 0.00 C ATOM 558 O PRO A 39 -16.374 0.378 12.064 1.00 0.00 O ATOM 559 CB PRO A 39 -17.178 -1.883 14.452 1.00 0.00 C ATOM 560 CG PRO A 39 -15.800 -2.432 14.317 1.00 0.00 C ATOM 561 CD PRO A 39 -15.741 -3.075 12.959 1.00 0.00 C ATOM 0 HA PRO A 39 -18.632 -1.578 12.820 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.201 -1.035 15.137 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.865 -2.631 14.848 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -15.055 -1.642 14.407 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.591 -3.159 15.102 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -14.747 -2.993 12.518 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.982 -4.137 13.006 1.00 0.00 H new ATOM 569 N ALA A 40 -18.050 0.872 13.481 1.00 0.00 N ATOM 570 CA ALA A 40 -17.872 2.314 13.363 1.00 0.00 C ATOM 571 C ALA A 40 -16.706 2.795 14.220 1.00 0.00 C ATOM 572 O ALA A 40 -16.392 3.984 14.245 1.00 0.00 O ATOM 573 CB ALA A 40 -19.152 3.037 13.755 1.00 0.00 C ATOM 0 H ALA A 40 -18.805 0.590 14.107 1.00 0.00 H new ATOM 0 HA ALA A 40 -17.642 2.543 12.322 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -19.005 4.113 13.662 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -19.963 2.724 13.098 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -19.406 2.793 14.786 1.00 0.00 H new ATOM 579 N ASN A 41 -16.069 1.863 14.921 1.00 0.00 N ATOM 580 CA ASN A 41 -14.938 2.194 15.781 1.00 0.00 C ATOM 581 C ASN A 41 -13.726 1.332 15.441 1.00 0.00 C ATOM 582 O ASN A 41 -12.940 0.973 16.318 1.00 0.00 O ATOM 583 CB ASN A 41 -15.316 2.005 17.251 1.00 0.00 C ATOM 584 CG ASN A 41 -16.463 2.903 17.673 1.00 0.00 C ATOM 585 OD1 ASN A 41 -17.576 2.434 17.913 1.00 0.00 O ATOM 586 ND2 ASN A 41 -16.196 4.200 17.765 1.00 0.00 N ATOM 0 H ASN A 41 -16.316 0.873 14.911 1.00 0.00 H new ATOM 0 HA ASN A 41 -14.678 3.239 15.611 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.591 0.964 17.422 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -14.447 2.212 17.876 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -16.928 4.853 18.044 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -15.259 4.544 17.556 1.00 0.00 H new ATOM 593 N TYR A 42 -13.581 1.003 14.162 1.00 0.00 N ATOM 594 CA TYR A 42 -12.467 0.181 13.706 1.00 0.00 C ATOM 595 C TYR A 42 -11.263 1.047 13.346 1.00 0.00 C ATOM 596 O TYR A 42 -11.390 2.036 12.626 1.00 0.00 O ATOM 597 CB TYR A 42 -12.885 -0.657 12.497 1.00 0.00 C ATOM 598 CG TYR A 42 -11.846 -1.671 12.074 1.00 0.00 C ATOM 599 CD1 TYR A 42 -10.724 -1.285 11.351 1.00 0.00 C ATOM 600 CD2 TYR A 42 -11.986 -3.015 12.398 1.00 0.00 C ATOM 601 CE1 TYR A 42 -9.772 -2.208 10.962 1.00 0.00 C ATOM 602 CE2 TYR A 42 -11.038 -3.945 12.014 1.00 0.00 C ATOM 603 CZ TYR A 42 -9.934 -3.536 11.296 1.00 0.00 C ATOM 604 OH TYR A 42 -8.987 -4.458 10.912 1.00 0.00 O ATOM 0 H TYR A 42 -14.221 1.293 13.423 1.00 0.00 H new ATOM 0 HA TYR A 42 -12.183 -0.485 14.521 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -13.814 -1.177 12.730 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -13.093 0.008 11.659 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -10.594 -0.246 11.088 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -12.850 -3.339 12.959 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.906 -1.891 10.400 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -11.161 -4.986 12.275 1.00 0.00 H new ATOM 0 HH TYR A 42 -9.250 -5.348 11.227 1.00 0.00 H new ATOM 614 N GLU A 43 -10.095 0.665 13.854 1.00 0.00 N ATOM 615 CA GLU A 43 -8.868 1.406 13.587 1.00 0.00 C ATOM 616 C GLU A 43 -7.679 0.765 14.298 1.00 0.00 C ATOM 617 O GLU A 43 -7.832 0.008 15.256 1.00 0.00 O ATOM 618 CB GLU A 43 -9.018 2.862 14.033 1.00 0.00 C ATOM 619 CG GLU A 43 -9.888 3.034 15.267 1.00 0.00 C ATOM 620 CD GLU A 43 -9.722 4.396 15.913 1.00 0.00 C ATOM 621 OE1 GLU A 43 -9.624 5.396 15.171 1.00 0.00 O ATOM 622 OE2 GLU A 43 -9.688 4.461 17.159 1.00 0.00 O ATOM 0 H GLU A 43 -9.973 -0.152 14.452 1.00 0.00 H new ATOM 0 HA GLU A 43 -8.685 1.379 12.513 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.030 3.275 14.235 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -9.444 3.442 13.214 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -10.933 2.891 14.993 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -9.640 2.259 15.993 1.00 0.00 H new ATOM 629 N PRO A 44 -6.466 1.075 13.817 1.00 0.00 N ATOM 630 CA PRO A 44 -6.272 1.975 12.676 1.00 0.00 C ATOM 631 C PRO A 44 -6.742 1.356 11.364 1.00 0.00 C ATOM 632 O PRO A 44 -7.157 0.198 11.325 1.00 0.00 O ATOM 633 CB PRO A 44 -4.758 2.195 12.652 1.00 0.00 C ATOM 634 CG PRO A 44 -4.188 0.985 13.309 1.00 0.00 C ATOM 635 CD PRO A 44 -5.190 0.569 14.350 1.00 0.00 C ATOM 0 HA PRO A 44 -6.848 2.895 12.779 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -4.390 2.302 11.632 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -4.482 3.103 13.187 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -4.024 0.188 12.584 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -3.222 1.206 13.763 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -5.209 -0.513 14.479 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -4.961 1.002 15.324 1.00 0.00 H new ATOM 643 N VAL A 45 -6.674 2.136 10.290 1.00 0.00 N ATOM 644 CA VAL A 45 -7.091 1.664 8.975 1.00 0.00 C ATOM 645 C VAL A 45 -5.931 1.698 7.986 1.00 0.00 C ATOM 646 O VAL A 45 -5.062 2.567 8.060 1.00 0.00 O ATOM 647 CB VAL A 45 -8.251 2.510 8.417 1.00 0.00 C ATOM 648 CG1 VAL A 45 -9.553 2.163 9.125 1.00 0.00 C ATOM 649 CG2 VAL A 45 -7.941 3.993 8.550 1.00 0.00 C ATOM 0 H VAL A 45 -6.334 3.098 10.305 1.00 0.00 H new ATOM 0 HA VAL A 45 -7.429 0.635 9.100 1.00 0.00 H new ATOM 0 HB VAL A 45 -8.369 2.281 7.358 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -10.362 2.770 8.718 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.780 1.108 8.973 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -9.451 2.362 10.192 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -8.771 4.576 8.151 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.796 4.241 9.601 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -7.033 4.226 7.993 1.00 0.00 H new ATOM 659 N HIS A 46 -5.924 0.746 7.058 1.00 0.00 N ATOM 660 CA HIS A 46 -4.871 0.667 6.052 1.00 0.00 C ATOM 661 C HIS A 46 -5.392 1.100 4.685 1.00 0.00 C ATOM 662 O HIS A 46 -6.554 0.870 4.352 1.00 0.00 O ATOM 663 CB HIS A 46 -4.319 -0.757 5.972 1.00 0.00 C ATOM 664 CG HIS A 46 -3.862 -1.297 7.292 1.00 0.00 C ATOM 665 ND1 HIS A 46 -3.165 -0.544 8.213 1.00 0.00 N ATOM 666 CD2 HIS A 46 -4.009 -2.524 7.846 1.00 0.00 C ATOM 667 CE1 HIS A 46 -2.900 -1.285 9.275 1.00 0.00 C ATOM 668 NE2 HIS A 46 -3.403 -2.490 9.077 1.00 0.00 N ATOM 0 H HIS A 46 -6.635 0.019 6.982 1.00 0.00 H new ATOM 0 HA HIS A 46 -4.069 1.344 6.347 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -5.089 -1.414 5.567 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -3.483 -0.775 5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.510 -3.372 7.402 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.364 -0.960 10.154 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -3.350 -3.269 9.733 1.00 0.00 H new ATOM 676 N TRP A 47 -4.525 1.728 3.899 1.00 0.00 N ATOM 677 CA TRP A 47 -4.898 2.195 2.569 1.00 0.00 C ATOM 678 C TRP A 47 -3.800 1.889 1.557 1.00 0.00 C ATOM 679 O TRP A 47 -2.627 2.178 1.793 1.00 0.00 O ATOM 680 CB TRP A 47 -5.182 3.698 2.594 1.00 0.00 C ATOM 681 CG TRP A 47 -6.392 4.061 3.401 1.00 0.00 C ATOM 682 CD1 TRP A 47 -6.526 3.980 4.757 1.00 0.00 C ATOM 683 CD2 TRP A 47 -7.637 4.560 2.901 1.00 0.00 C ATOM 684 NE1 TRP A 47 -7.781 4.399 5.131 1.00 0.00 N ATOM 685 CE2 TRP A 47 -8.481 4.761 4.011 1.00 0.00 C ATOM 686 CE3 TRP A 47 -8.121 4.859 1.624 1.00 0.00 C ATOM 687 CZ2 TRP A 47 -9.780 5.245 3.880 1.00 0.00 C ATOM 688 CZ3 TRP A 47 -9.410 5.339 1.496 1.00 0.00 C ATOM 689 CH2 TRP A 47 -10.227 5.529 2.618 1.00 0.00 C ATOM 0 H TRP A 47 -3.559 1.926 4.160 1.00 0.00 H new ATOM 0 HA TRP A 47 -5.802 1.667 2.266 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -4.314 4.218 3.000 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -5.316 4.052 1.572 1.00 0.00 H new ATOM 0 HD1 TRP A 47 -5.759 3.637 5.436 1.00 0.00 H new ATOM 0 HE1 TRP A 47 -8.133 4.434 6.088 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -7.498 4.717 0.753 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -10.412 5.391 4.743 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -9.795 5.572 0.514 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -11.230 5.907 2.484 1.00 0.00 H new ATOM 700 N PHE A 48 -4.188 1.303 0.429 1.00 0.00 N ATOM 701 CA PHE A 48 -3.235 0.957 -0.620 1.00 0.00 C ATOM 702 C PHE A 48 -3.702 1.482 -1.974 1.00 0.00 C ATOM 703 O PHE A 48 -4.869 1.836 -2.146 1.00 0.00 O ATOM 704 CB PHE A 48 -3.045 -0.560 -0.685 1.00 0.00 C ATOM 705 CG PHE A 48 -2.579 -1.163 0.609 1.00 0.00 C ATOM 706 CD1 PHE A 48 -3.479 -1.429 1.628 1.00 0.00 C ATOM 707 CD2 PHE A 48 -1.241 -1.463 0.806 1.00 0.00 C ATOM 708 CE1 PHE A 48 -3.052 -1.983 2.820 1.00 0.00 C ATOM 709 CE2 PHE A 48 -0.808 -2.018 1.996 1.00 0.00 C ATOM 710 CZ PHE A 48 -1.716 -2.279 3.004 1.00 0.00 C ATOM 0 H PHE A 48 -5.155 1.058 0.218 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.281 1.425 -0.379 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -3.988 -1.024 -0.974 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.322 -0.794 -1.467 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -4.526 -1.201 1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -0.528 -1.261 0.021 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.763 -2.184 3.607 1.00 0.00 H new ATOM 0 HE2 PHE A 48 0.238 -2.247 2.137 1.00 0.00 H new ATOM 0 HZ PHE A 48 -1.381 -2.714 3.934 1.00 0.00 H new ATOM 720 N LEU A 49 -2.783 1.529 -2.932 1.00 0.00 N ATOM 721 CA LEU A 49 -3.099 2.011 -4.272 1.00 0.00 C ATOM 722 C LEU A 49 -2.345 1.212 -5.330 1.00 0.00 C ATOM 723 O LEU A 49 -1.135 1.369 -5.495 1.00 0.00 O ATOM 724 CB LEU A 49 -2.755 3.496 -4.396 1.00 0.00 C ATOM 725 CG LEU A 49 -3.063 4.147 -5.745 1.00 0.00 C ATOM 726 CD1 LEU A 49 -1.895 3.971 -6.702 1.00 0.00 C ATOM 727 CD2 LEU A 49 -4.335 3.561 -6.341 1.00 0.00 C ATOM 0 H LEU A 49 -1.813 1.239 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.168 1.878 -4.436 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.296 4.039 -3.621 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.692 3.620 -4.190 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.217 5.214 -5.585 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -2.133 4.441 -7.656 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -1.005 4.438 -6.280 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.709 2.908 -6.857 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.539 4.036 -7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.208 2.488 -6.486 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.170 3.739 -5.663 1.00 0.00 H new ATOM 739 N ASP A 50 -3.067 0.358 -6.046 1.00 0.00 N ATOM 740 CA ASP A 50 -2.467 -0.464 -7.091 1.00 0.00 C ATOM 741 C ASP A 50 -1.519 -1.497 -6.492 1.00 0.00 C ATOM 742 O ASP A 50 -1.864 -2.672 -6.362 1.00 0.00 O ATOM 743 CB ASP A 50 -1.716 0.416 -8.092 1.00 0.00 C ATOM 744 CG ASP A 50 -2.402 0.471 -9.443 1.00 0.00 C ATOM 745 OD1 ASP A 50 -3.649 0.413 -9.477 1.00 0.00 O ATOM 746 OD2 ASP A 50 -1.693 0.570 -10.466 1.00 0.00 O ATOM 0 H ASP A 50 -4.070 0.216 -5.922 1.00 0.00 H new ATOM 0 HA ASP A 50 -3.268 -0.991 -7.610 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -1.629 1.426 -7.690 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.703 0.035 -8.218 1.00 0.00 H new ATOM 751 N LYS A 51 -0.320 -1.053 -6.129 1.00 0.00 N ATOM 752 CA LYS A 51 0.680 -1.938 -5.543 1.00 0.00 C ATOM 753 C LYS A 51 1.637 -1.160 -4.647 1.00 0.00 C ATOM 754 O LYS A 51 2.847 -1.392 -4.663 1.00 0.00 O ATOM 755 CB LYS A 51 1.464 -2.655 -6.645 1.00 0.00 C ATOM 756 CG LYS A 51 1.599 -1.844 -7.922 1.00 0.00 C ATOM 757 CD LYS A 51 2.331 -0.535 -7.676 1.00 0.00 C ATOM 758 CE LYS A 51 3.807 -0.768 -7.389 1.00 0.00 C ATOM 759 NZ LYS A 51 4.570 -1.085 -8.628 1.00 0.00 N ATOM 0 H LYS A 51 -0.017 -0.084 -6.231 1.00 0.00 H new ATOM 0 HA LYS A 51 0.162 -2.678 -4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 51 2.459 -2.898 -6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 51 0.970 -3.599 -6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 51 2.136 -2.427 -8.670 1.00 0.00 H new ATOM 0 HG3 LYS A 51 0.609 -1.638 -8.329 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.226 0.111 -8.547 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.874 -0.013 -6.835 1.00 0.00 H new ATOM 0 HE2 LYS A 51 4.230 0.120 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.914 -1.587 -6.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.581 -1.170 -8.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.228 -1.983 -9.026 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 4.434 -0.324 -9.324 1.00 0.00 H new ATOM 773 N THR A 52 1.089 -0.237 -3.863 1.00 0.00 N ATOM 774 CA THR A 52 1.895 0.575 -2.960 1.00 0.00 C ATOM 775 C THR A 52 1.081 1.025 -1.752 1.00 0.00 C ATOM 776 O THR A 52 -0.043 1.512 -1.876 1.00 0.00 O ATOM 777 CB THR A 52 2.460 1.817 -3.675 1.00 0.00 C ATOM 778 OG1 THR A 52 3.124 1.428 -4.882 1.00 0.00 O ATOM 779 CG2 THR A 52 3.433 2.563 -2.774 1.00 0.00 C ATOM 0 H THR A 52 0.090 -0.033 -3.835 1.00 0.00 H new ATOM 0 HA THR A 52 2.723 -0.050 -2.625 1.00 0.00 H new ATOM 0 HB THR A 52 1.629 2.480 -3.915 1.00 0.00 H new ATOM 0 HG1 THR A 52 3.479 2.223 -5.331 1.00 0.00 H new ATOM 0 HG21 THR A 52 3.819 3.436 -3.300 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.918 2.883 -1.868 1.00 0.00 H new ATOM 0 HG23 THR A 52 4.260 1.905 -2.508 1.00 0.00 H new ATOM 787 N PRO A 53 1.660 0.859 -0.553 1.00 0.00 N ATOM 788 CA PRO A 53 1.006 1.243 0.701 1.00 0.00 C ATOM 789 C PRO A 53 0.892 2.756 0.856 1.00 0.00 C ATOM 790 O PRO A 53 1.672 3.511 0.274 1.00 0.00 O ATOM 791 CB PRO A 53 1.931 0.665 1.775 1.00 0.00 C ATOM 792 CG PRO A 53 3.266 0.580 1.119 1.00 0.00 C ATOM 793 CD PRO A 53 2.998 0.286 -0.330 1.00 0.00 C ATOM 0 HA PRO A 53 -0.018 0.873 0.756 1.00 0.00 H new ATOM 0 HB2 PRO A 53 1.963 1.305 2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.589 -0.316 2.106 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.816 1.514 1.232 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.873 -0.205 1.570 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.745 0.745 -0.978 1.00 0.00 H new ATOM 0 HD3 PRO A 53 3.015 -0.785 -0.533 1.00 0.00 H new ATOM 801 N LEU A 54 -0.084 3.193 1.645 1.00 0.00 N ATOM 802 CA LEU A 54 -0.300 4.617 1.877 1.00 0.00 C ATOM 803 C LEU A 54 -0.387 4.918 3.369 1.00 0.00 C ATOM 804 O LEU A 54 -1.047 4.199 4.121 1.00 0.00 O ATOM 805 CB LEU A 54 -1.579 5.080 1.176 1.00 0.00 C ATOM 806 CG LEU A 54 -1.597 4.942 -0.347 1.00 0.00 C ATOM 807 CD1 LEU A 54 -3.020 4.752 -0.849 1.00 0.00 C ATOM 808 CD2 LEU A 54 -0.957 6.158 -1.000 1.00 0.00 C ATOM 0 H LEU A 54 -0.738 2.582 2.134 1.00 0.00 H new ATOM 0 HA LEU A 54 0.550 5.160 1.464 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.417 4.514 1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.749 6.127 1.428 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.017 4.060 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.013 4.656 -1.935 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.444 3.850 -0.407 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.624 5.614 -0.565 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.979 6.043 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.510 7.055 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.076 6.249 -0.665 1.00 0.00 H new ATOM 820 N HIS A 55 0.280 5.987 3.792 1.00 0.00 N ATOM 821 CA HIS A 55 0.276 6.386 5.195 1.00 0.00 C ATOM 822 C HIS A 55 0.182 7.903 5.329 1.00 0.00 C ATOM 823 O HIS A 55 0.751 8.643 4.527 1.00 0.00 O ATOM 824 CB HIS A 55 1.536 5.878 5.896 1.00 0.00 C ATOM 825 CG HIS A 55 1.854 4.445 5.593 1.00 0.00 C ATOM 826 ND1 HIS A 55 1.130 3.390 6.106 1.00 0.00 N ATOM 827 CD2 HIS A 55 2.822 3.897 4.823 1.00 0.00 C ATOM 828 CE1 HIS A 55 1.641 2.254 5.667 1.00 0.00 C ATOM 829 NE2 HIS A 55 2.669 2.534 4.886 1.00 0.00 N ATOM 0 H HIS A 55 0.830 6.593 3.183 1.00 0.00 H new ATOM 0 HA HIS A 55 -0.599 5.942 5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 55 2.382 6.499 5.601 1.00 0.00 H new ATOM 0 HB3 HIS A 55 1.415 5.995 6.973 1.00 0.00 H new ATOM 0 HD2 HIS A 55 3.575 4.432 4.263 1.00 0.00 H new ATOM 0 HE1 HIS A 55 1.280 1.265 5.906 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.254 1.849 4.408 1.00 0.00 H new ATOM 837 N ALA A 56 -0.541 8.359 6.347 1.00 0.00 N ATOM 838 CA ALA A 56 -0.708 9.787 6.586 1.00 0.00 C ATOM 839 C ALA A 56 0.642 10.487 6.695 1.00 0.00 C ATOM 840 O ALA A 56 1.556 9.994 7.355 1.00 0.00 O ATOM 841 CB ALA A 56 -1.528 10.019 7.846 1.00 0.00 C ATOM 0 H ALA A 56 -1.020 7.760 7.019 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.241 10.212 5.736 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.645 11.090 8.012 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.510 9.561 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.018 9.573 8.700 1.00 0.00 H new ATOM 847 N ASN A 57 0.761 11.639 6.042 1.00 0.00 N ATOM 848 CA ASN A 57 2.001 12.406 6.066 1.00 0.00 C ATOM 849 C ASN A 57 1.751 13.856 5.661 1.00 0.00 C ATOM 850 O ASN A 57 0.606 14.296 5.567 1.00 0.00 O ATOM 851 CB ASN A 57 3.034 11.775 5.130 1.00 0.00 C ATOM 852 CG ASN A 57 4.423 11.749 5.736 1.00 0.00 C ATOM 853 OD1 ASN A 57 5.369 12.300 5.171 1.00 0.00 O ATOM 854 ND2 ASN A 57 4.553 11.108 6.891 1.00 0.00 N ATOM 0 H ASN A 57 0.014 12.061 5.490 1.00 0.00 H new ATOM 0 HA ASN A 57 2.388 12.393 7.085 1.00 0.00 H new ATOM 0 HB2 ASN A 57 2.727 10.758 4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 57 3.060 12.332 4.193 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.464 11.057 7.346 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.742 10.666 7.323 1.00 0.00 H new ATOM 861 N GLU A 58 2.832 14.593 5.422 1.00 0.00 N ATOM 862 CA GLU A 58 2.729 15.993 5.027 1.00 0.00 C ATOM 863 C GLU A 58 1.775 16.157 3.847 1.00 0.00 C ATOM 864 O GLU A 58 1.128 17.194 3.697 1.00 0.00 O ATOM 865 CB GLU A 58 4.108 16.545 4.663 1.00 0.00 C ATOM 866 CG GLU A 58 4.068 17.948 4.081 1.00 0.00 C ATOM 867 CD GLU A 58 5.077 18.877 4.726 1.00 0.00 C ATOM 868 OE1 GLU A 58 6.251 18.866 4.299 1.00 0.00 O ATOM 869 OE2 GLU A 58 4.695 19.615 5.658 1.00 0.00 O ATOM 0 H GLU A 58 3.788 14.244 5.495 1.00 0.00 H new ATOM 0 HA GLU A 58 2.332 16.555 5.873 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.736 16.548 5.554 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.580 15.876 3.944 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.259 17.898 3.009 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.067 18.361 4.207 1.00 0.00 H new ATOM 876 N LEU A 59 1.694 15.127 3.012 1.00 0.00 N ATOM 877 CA LEU A 59 0.820 15.156 1.845 1.00 0.00 C ATOM 878 C LEU A 59 -0.402 14.269 2.057 1.00 0.00 C ATOM 879 O LEU A 59 -1.536 14.695 1.841 1.00 0.00 O ATOM 880 CB LEU A 59 1.584 14.702 0.600 1.00 0.00 C ATOM 881 CG LEU A 59 2.867 15.470 0.282 1.00 0.00 C ATOM 882 CD1 LEU A 59 3.602 14.824 -0.883 1.00 0.00 C ATOM 883 CD2 LEU A 59 2.554 16.927 -0.024 1.00 0.00 C ATOM 0 H LEU A 59 2.223 14.262 3.121 1.00 0.00 H new ATOM 0 HA LEU A 59 0.480 16.182 1.702 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.835 13.648 0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.917 14.778 -0.259 1.00 0.00 H new ATOM 0 HG LEU A 59 3.515 15.435 1.158 1.00 0.00 H new ATOM 0 HD11 LEU A 59 4.513 15.385 -1.095 1.00 0.00 H new ATOM 0 HD12 LEU A 59 3.860 13.797 -0.626 1.00 0.00 H new ATOM 0 HD13 LEU A 59 2.961 14.827 -1.764 1.00 0.00 H new ATOM 0 HD21 LEU A 59 3.479 17.459 -0.248 1.00 0.00 H new ATOM 0 HD22 LEU A 59 1.886 16.983 -0.883 1.00 0.00 H new ATOM 0 HD23 LEU A 59 2.073 17.385 0.840 1.00 0.00 H new ATOM 895 N ASN A 60 -0.163 13.033 2.484 1.00 0.00 N ATOM 896 CA ASN A 60 -1.245 12.086 2.728 1.00 0.00 C ATOM 897 C ASN A 60 -2.104 12.533 3.907 1.00 0.00 C ATOM 898 O ASN A 60 -1.587 12.995 4.923 1.00 0.00 O ATOM 899 CB ASN A 60 -0.678 10.690 2.996 1.00 0.00 C ATOM 900 CG ASN A 60 0.493 10.358 2.091 1.00 0.00 C ATOM 901 OD1 ASN A 60 1.633 10.730 2.371 1.00 0.00 O ATOM 902 ND2 ASN A 60 0.216 9.656 0.999 1.00 0.00 N ATOM 0 H ASN A 60 0.770 12.664 2.668 1.00 0.00 H new ATOM 0 HA ASN A 60 -1.872 12.052 1.837 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -0.360 10.624 4.036 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.464 9.948 2.855 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.963 9.404 0.352 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -0.744 9.369 0.807 1.00 0.00 H new ATOM 909 N GLU A 61 -3.418 12.390 3.762 1.00 0.00 N ATOM 910 CA GLU A 61 -4.348 12.780 4.815 1.00 0.00 C ATOM 911 C GLU A 61 -5.410 11.704 5.029 1.00 0.00 C ATOM 912 O GLU A 61 -6.088 11.292 4.087 1.00 0.00 O ATOM 913 CB GLU A 61 -5.018 14.111 4.468 1.00 0.00 C ATOM 914 CG GLU A 61 -4.687 15.231 5.440 1.00 0.00 C ATOM 915 CD GLU A 61 -3.397 15.946 5.089 1.00 0.00 C ATOM 916 OE1 GLU A 61 -2.580 15.366 4.344 1.00 0.00 O ATOM 917 OE2 GLU A 61 -3.204 17.087 5.559 1.00 0.00 O ATOM 0 H GLU A 61 -3.862 12.008 2.927 1.00 0.00 H new ATOM 0 HA GLU A 61 -3.782 12.897 5.739 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -4.714 14.410 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.098 13.969 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.505 15.951 5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.609 14.822 6.447 1.00 0.00 H new ATOM 924 N ILE A 62 -5.547 11.255 6.272 1.00 0.00 N ATOM 925 CA ILE A 62 -6.525 10.229 6.609 1.00 0.00 C ATOM 926 C ILE A 62 -7.351 10.635 7.825 1.00 0.00 C ATOM 927 O ILE A 62 -6.842 10.684 8.945 1.00 0.00 O ATOM 928 CB ILE A 62 -5.847 8.875 6.892 1.00 0.00 C ATOM 929 CG1 ILE A 62 -5.049 8.415 5.670 1.00 0.00 C ATOM 930 CG2 ILE A 62 -6.885 7.832 7.277 1.00 0.00 C ATOM 931 CD1 ILE A 62 -3.640 7.974 5.999 1.00 0.00 C ATOM 0 H ILE A 62 -4.993 11.586 7.062 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.181 10.124 5.745 1.00 0.00 H new ATOM 0 HB ILE A 62 -5.158 8.998 7.728 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -5.577 7.590 5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.007 9.229 4.946 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -6.390 6.881 7.474 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -7.413 8.158 8.173 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -7.597 7.708 6.461 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -3.134 7.662 5.086 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -3.095 8.803 6.450 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -3.674 7.139 6.699 1.00 0.00 H new ATOM 943 N ASP A 63 -8.628 10.922 7.597 1.00 0.00 N ATOM 944 CA ASP A 63 -9.526 11.321 8.674 1.00 0.00 C ATOM 945 C ASP A 63 -10.342 10.132 9.170 1.00 0.00 C ATOM 946 O ASP A 63 -10.193 9.015 8.675 1.00 0.00 O ATOM 947 CB ASP A 63 -10.460 12.436 8.202 1.00 0.00 C ATOM 948 CG ASP A 63 -10.260 13.725 8.973 1.00 0.00 C ATOM 949 OD1 ASP A 63 -10.056 13.655 10.202 1.00 0.00 O ATOM 950 OD2 ASP A 63 -10.309 14.805 8.347 1.00 0.00 O ATOM 0 H ASP A 63 -9.064 10.886 6.676 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.920 11.692 9.500 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -10.292 12.621 7.141 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -11.494 12.109 8.309 1.00 0.00 H new ATOM 955 N ALA A 64 -11.204 10.379 10.150 1.00 0.00 N ATOM 956 CA ALA A 64 -12.045 9.329 10.712 1.00 0.00 C ATOM 957 C ALA A 64 -13.407 9.877 11.122 1.00 0.00 C ATOM 958 O ALA A 64 -13.728 9.942 12.308 1.00 0.00 O ATOM 959 CB ALA A 64 -11.354 8.681 11.903 1.00 0.00 C ATOM 0 H ALA A 64 -11.339 11.298 10.572 1.00 0.00 H new ATOM 0 HA ALA A 64 -12.204 8.574 9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.993 7.899 12.313 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -10.408 8.245 11.582 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -11.166 9.434 12.668 1.00 0.00 H new ATOM 965 N GLN A 65 -14.204 10.270 10.133 1.00 0.00 N ATOM 966 CA GLN A 65 -15.532 10.814 10.393 1.00 0.00 C ATOM 967 C GLN A 65 -16.350 9.861 11.258 1.00 0.00 C ATOM 968 O GLN A 65 -16.055 8.671 11.364 1.00 0.00 O ATOM 969 CB GLN A 65 -16.262 11.082 9.076 1.00 0.00 C ATOM 970 CG GLN A 65 -16.021 12.476 8.519 1.00 0.00 C ATOM 971 CD GLN A 65 -16.297 12.566 7.031 1.00 0.00 C ATOM 972 OE1 GLN A 65 -16.939 11.689 6.453 1.00 0.00 O ATOM 973 NE2 GLN A 65 -15.812 13.630 6.402 1.00 0.00 N ATOM 0 H GLN A 65 -13.953 10.222 9.145 1.00 0.00 H new ATOM 0 HA GLN A 65 -15.414 11.754 10.932 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -15.945 10.345 8.338 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -17.332 10.941 9.228 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -16.656 13.188 9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -14.988 12.766 8.711 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -15.285 14.333 6.921 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -15.966 13.745 5.400 1.00 0.00 H new ATOM 982 N PRO A 66 -17.405 10.395 11.891 1.00 0.00 N ATOM 983 CA PRO A 66 -18.289 9.609 12.758 1.00 0.00 C ATOM 984 C PRO A 66 -19.139 8.617 11.972 1.00 0.00 C ATOM 985 O PRO A 66 -19.745 8.968 10.961 1.00 0.00 O ATOM 986 CB PRO A 66 -19.175 10.670 13.416 1.00 0.00 C ATOM 987 CG PRO A 66 -19.174 11.811 12.459 1.00 0.00 C ATOM 988 CD PRO A 66 -17.817 11.806 11.810 1.00 0.00 C ATOM 0 HA PRO A 66 -17.729 9.002 13.469 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -20.185 10.294 13.583 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -18.781 10.968 14.388 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -19.963 11.697 11.715 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -19.356 12.754 12.975 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -17.864 12.152 10.777 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -17.119 12.459 12.334 1.00 0.00 H new ATOM 996 N GLY A 67 -19.179 7.375 12.445 1.00 0.00 N ATOM 997 CA GLY A 67 -19.959 6.351 11.774 1.00 0.00 C ATOM 998 C GLY A 67 -19.108 5.462 10.888 1.00 0.00 C ATOM 999 O GLY A 67 -19.561 5.003 9.840 1.00 0.00 O ATOM 0 H GLY A 67 -18.686 7.060 13.280 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -20.466 5.738 12.519 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -20.734 6.825 11.171 1.00 0.00 H new ATOM 1003 N GLY A 68 -17.871 5.220 11.309 1.00 0.00 N ATOM 1004 CA GLY A 68 -16.974 4.383 10.533 1.00 0.00 C ATOM 1005 C GLY A 68 -16.724 4.933 9.143 1.00 0.00 C ATOM 1006 O GLY A 68 -16.579 4.175 8.184 1.00 0.00 O ATOM 0 H GLY A 68 -17.474 5.588 12.173 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -16.024 4.289 11.059 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -17.395 3.381 10.453 1.00 0.00 H new ATOM 1010 N TYR A 69 -16.676 6.256 9.032 1.00 0.00 N ATOM 1011 CA TYR A 69 -16.446 6.908 7.748 1.00 0.00 C ATOM 1012 C TYR A 69 -14.996 7.364 7.620 1.00 0.00 C ATOM 1013 O TYR A 69 -14.644 8.474 8.020 1.00 0.00 O ATOM 1014 CB TYR A 69 -17.385 8.104 7.585 1.00 0.00 C ATOM 1015 CG TYR A 69 -18.774 7.725 7.123 1.00 0.00 C ATOM 1016 CD1 TYR A 69 -19.064 7.587 5.771 1.00 0.00 C ATOM 1017 CD2 TYR A 69 -19.796 7.506 8.038 1.00 0.00 C ATOM 1018 CE1 TYR A 69 -20.332 7.242 5.344 1.00 0.00 C ATOM 1019 CE2 TYR A 69 -21.066 7.159 7.620 1.00 0.00 C ATOM 1020 CZ TYR A 69 -21.329 7.028 6.272 1.00 0.00 C ATOM 1021 OH TYR A 69 -22.594 6.684 5.852 1.00 0.00 O ATOM 0 H TYR A 69 -16.793 6.898 9.816 1.00 0.00 H new ATOM 0 HA TYR A 69 -16.650 6.184 6.960 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -17.459 8.630 8.537 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -16.951 8.801 6.869 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -18.285 7.752 5.042 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -19.594 7.609 9.094 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -20.541 7.141 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -21.849 6.991 8.345 1.00 0.00 H new ATOM 0 HH TYR A 69 -23.177 6.568 6.631 1.00 0.00 H new ATOM 1031 N HIS A 70 -14.157 6.498 7.059 1.00 0.00 N ATOM 1032 CA HIS A 70 -12.745 6.811 6.876 1.00 0.00 C ATOM 1033 C HIS A 70 -12.516 7.538 5.554 1.00 0.00 C ATOM 1034 O HIS A 70 -12.662 6.955 4.480 1.00 0.00 O ATOM 1035 CB HIS A 70 -11.907 5.533 6.920 1.00 0.00 C ATOM 1036 CG HIS A 70 -12.015 4.791 8.217 1.00 0.00 C ATOM 1037 ND1 HIS A 70 -11.310 5.146 9.347 1.00 0.00 N ATOM 1038 CD2 HIS A 70 -12.752 3.709 8.559 1.00 0.00 C ATOM 1039 CE1 HIS A 70 -11.607 4.313 10.329 1.00 0.00 C ATOM 1040 NE2 HIS A 70 -12.481 3.432 9.877 1.00 0.00 N ATOM 0 H HIS A 70 -14.431 5.575 6.724 1.00 0.00 H new ATOM 0 HA HIS A 70 -12.436 7.467 7.690 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -12.218 4.876 6.108 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -10.862 5.787 6.742 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -13.427 3.165 7.916 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -11.204 4.347 11.330 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -12.889 2.670 10.419 1.00 0.00 H new ATOM 1048 N VAL A 71 -12.156 8.815 5.640 1.00 0.00 N ATOM 1049 CA VAL A 71 -11.907 9.621 4.451 1.00 0.00 C ATOM 1050 C VAL A 71 -10.413 9.751 4.179 1.00 0.00 C ATOM 1051 O VAL A 71 -9.626 10.019 5.088 1.00 0.00 O ATOM 1052 CB VAL A 71 -12.517 11.028 4.589 1.00 0.00 C ATOM 1053 CG1 VAL A 71 -12.427 11.781 3.271 1.00 0.00 C ATOM 1054 CG2 VAL A 71 -13.960 10.939 5.064 1.00 0.00 C ATOM 0 H VAL A 71 -12.030 9.313 6.521 1.00 0.00 H new ATOM 0 HA VAL A 71 -12.382 9.108 3.615 1.00 0.00 H new ATOM 0 HB VAL A 71 -11.946 11.581 5.335 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -12.863 12.773 3.388 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -11.382 11.877 2.977 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -12.972 11.234 2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -14.375 11.943 5.156 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -14.546 10.369 4.343 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -13.994 10.442 6.034 1.00 0.00 H new ATOM 1064 N LEU A 72 -10.027 9.561 2.922 1.00 0.00 N ATOM 1065 CA LEU A 72 -8.626 9.658 2.529 1.00 0.00 C ATOM 1066 C LEU A 72 -8.422 10.777 1.512 1.00 0.00 C ATOM 1067 O LEU A 72 -8.922 10.710 0.389 1.00 0.00 O ATOM 1068 CB LEU A 72 -8.147 8.329 1.943 1.00 0.00 C ATOM 1069 CG LEU A 72 -6.719 8.312 1.396 1.00 0.00 C ATOM 1070 CD1 LEU A 72 -5.741 7.862 2.469 1.00 0.00 C ATOM 1071 CD2 LEU A 72 -6.627 7.408 0.175 1.00 0.00 C ATOM 0 H LEU A 72 -10.665 9.339 2.158 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.040 9.888 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.228 7.564 2.715 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.826 8.044 1.139 1.00 0.00 H new ATOM 0 HG LEU A 72 -6.454 9.325 1.095 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -4.730 7.856 2.061 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -5.787 8.549 3.314 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -6.003 6.858 2.802 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.604 7.408 -0.201 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.912 6.393 0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -7.299 7.775 -0.601 1.00 0.00 H new ATOM 1083 N THR A 73 -7.681 11.806 1.913 1.00 0.00 N ATOM 1084 CA THR A 73 -7.409 12.939 1.038 1.00 0.00 C ATOM 1085 C THR A 73 -5.954 12.947 0.585 1.00 0.00 C ATOM 1086 O THR A 73 -5.098 13.565 1.220 1.00 0.00 O ATOM 1087 CB THR A 73 -7.726 14.276 1.735 1.00 0.00 C ATOM 1088 OG1 THR A 73 -8.921 14.152 2.513 1.00 0.00 O ATOM 1089 CG2 THR A 73 -7.893 15.392 0.714 1.00 0.00 C ATOM 0 H THR A 73 -7.259 11.877 2.839 1.00 0.00 H new ATOM 0 HA THR A 73 -8.056 12.829 0.168 1.00 0.00 H new ATOM 0 HB THR A 73 -6.891 14.526 2.390 1.00 0.00 H new ATOM 0 HG1 THR A 73 -9.114 15.006 2.954 1.00 0.00 H new ATOM 0 HG21 THR A 73 -8.116 16.326 1.229 1.00 0.00 H new ATOM 0 HG22 THR A 73 -6.971 15.504 0.143 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.711 15.146 0.037 1.00 0.00 H new ATOM 1097 N LEU A 74 -5.679 12.258 -0.518 1.00 0.00 N ATOM 1098 CA LEU A 74 -4.325 12.187 -1.057 1.00 0.00 C ATOM 1099 C LEU A 74 -3.941 13.496 -1.739 1.00 0.00 C ATOM 1100 O LEU A 74 -4.251 13.711 -2.911 1.00 0.00 O ATOM 1101 CB LEU A 74 -4.211 11.029 -2.050 1.00 0.00 C ATOM 1102 CG LEU A 74 -3.951 9.649 -1.444 1.00 0.00 C ATOM 1103 CD1 LEU A 74 -4.297 8.554 -2.442 1.00 0.00 C ATOM 1104 CD2 LEU A 74 -2.501 9.527 -0.997 1.00 0.00 C ATOM 0 H LEU A 74 -6.375 11.741 -1.056 1.00 0.00 H new ATOM 0 HA LEU A 74 -3.639 12.016 -0.228 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -5.133 10.981 -2.630 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.406 11.254 -2.749 1.00 0.00 H new ATOM 0 HG LEU A 74 -4.591 9.531 -0.570 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -4.106 7.579 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.350 8.628 -2.713 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -3.683 8.669 -3.336 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -2.334 8.539 -0.568 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -1.843 9.666 -1.855 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -2.286 10.289 -0.247 1.00 0.00 H new ATOM 1116 N ARG A 75 -3.262 14.366 -0.998 1.00 0.00 N ATOM 1117 CA ARG A 75 -2.835 15.654 -1.532 1.00 0.00 C ATOM 1118 C ARG A 75 -1.538 15.511 -2.323 1.00 0.00 C ATOM 1119 O ARG A 75 -0.701 14.663 -2.012 1.00 0.00 O ATOM 1120 CB ARG A 75 -2.644 16.662 -0.398 1.00 0.00 C ATOM 1121 CG ARG A 75 -3.869 16.820 0.489 1.00 0.00 C ATOM 1122 CD ARG A 75 -3.537 17.573 1.768 1.00 0.00 C ATOM 1123 NE ARG A 75 -4.260 18.838 1.861 1.00 0.00 N ATOM 1124 CZ ARG A 75 -3.869 19.954 1.257 1.00 0.00 C ATOM 1125 NH1 ARG A 75 -2.768 19.961 0.518 1.00 0.00 N ATOM 1126 NH2 ARG A 75 -4.580 21.067 1.390 1.00 0.00 N ATOM 0 H ARG A 75 -2.996 14.203 -0.027 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.613 16.016 -2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -1.799 16.350 0.216 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.387 17.632 -0.824 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.648 17.353 -0.056 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.269 15.837 0.738 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -3.782 16.951 2.629 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -2.465 17.764 1.808 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.112 18.866 2.421 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -2.219 19.108 0.412 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -2.470 20.820 0.055 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.428 21.066 1.957 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -4.278 21.923 0.925 1.00 0.00 H new ATOM 1140 N GLN A 76 -1.379 16.344 -3.346 1.00 0.00 N ATOM 1141 CA GLN A 76 -0.185 16.309 -4.182 1.00 0.00 C ATOM 1142 C GLN A 76 -0.001 14.932 -4.811 1.00 0.00 C ATOM 1143 O GLN A 76 0.985 14.243 -4.546 1.00 0.00 O ATOM 1144 CB GLN A 76 1.051 16.675 -3.358 1.00 0.00 C ATOM 1145 CG GLN A 76 1.052 18.115 -2.870 1.00 0.00 C ATOM 1146 CD GLN A 76 2.451 18.659 -2.661 1.00 0.00 C ATOM 1147 OE1 GLN A 76 3.412 18.181 -3.264 1.00 0.00 O ATOM 1148 NE2 GLN A 76 2.573 19.665 -1.803 1.00 0.00 N ATOM 0 H GLN A 76 -2.062 17.052 -3.616 1.00 0.00 H new ATOM 0 HA GLN A 76 -0.310 17.040 -4.981 1.00 0.00 H new ATOM 0 HB2 GLN A 76 1.114 16.009 -2.498 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.943 16.504 -3.961 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.527 18.740 -3.593 1.00 0.00 H new ATOM 0 HG3 GLN A 76 0.498 18.178 -1.933 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.749 20.030 -1.325 1.00 0.00 H new ATOM 0 HE22 GLN A 76 3.490 20.072 -1.622 1.00 0.00 H new ATOM 1157 N LEU A 77 -0.956 14.537 -5.646 1.00 0.00 N ATOM 1158 CA LEU A 77 -0.900 13.241 -6.314 1.00 0.00 C ATOM 1159 C LEU A 77 -0.066 13.321 -7.588 1.00 0.00 C ATOM 1160 O LEU A 77 0.469 14.376 -7.926 1.00 0.00 O ATOM 1161 CB LEU A 77 -2.312 12.754 -6.644 1.00 0.00 C ATOM 1162 CG LEU A 77 -3.088 12.115 -5.492 1.00 0.00 C ATOM 1163 CD1 LEU A 77 -4.571 12.041 -5.824 1.00 0.00 C ATOM 1164 CD2 LEU A 77 -2.540 10.730 -5.183 1.00 0.00 C ATOM 0 H LEU A 77 -1.778 15.095 -5.877 1.00 0.00 H new ATOM 0 HA LEU A 77 -0.427 12.530 -5.636 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -2.888 13.600 -7.019 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.244 12.030 -7.456 1.00 0.00 H new ATOM 0 HG LEU A 77 -2.965 12.739 -4.606 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -5.108 11.583 -4.993 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -4.956 13.046 -5.995 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -4.713 11.440 -6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -3.104 10.291 -4.361 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.632 10.097 -6.066 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.490 10.809 -4.901 1.00 0.00 H new ATOM 1176 N ALA A 78 0.038 12.199 -8.293 1.00 0.00 N ATOM 1177 CA ALA A 78 0.803 12.143 -9.532 1.00 0.00 C ATOM 1178 C ALA A 78 0.115 11.252 -10.562 1.00 0.00 C ATOM 1179 O ALA A 78 -0.689 10.388 -10.211 1.00 0.00 O ATOM 1180 CB ALA A 78 2.214 11.645 -9.259 1.00 0.00 C ATOM 0 H ALA A 78 -0.398 11.316 -8.027 1.00 0.00 H new ATOM 0 HA ALA A 78 0.859 13.152 -9.942 1.00 0.00 H new ATOM 0 HB1 ALA A 78 2.774 11.608 -10.193 1.00 0.00 H new ATOM 0 HB2 ALA A 78 2.711 12.322 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 78 2.170 10.647 -8.823 1.00 0.00 H new ATOM 1186 N LEU A 79 0.436 11.469 -11.832 1.00 0.00 N ATOM 1187 CA LEU A 79 -0.152 10.686 -12.914 1.00 0.00 C ATOM 1188 C LEU A 79 0.152 9.202 -12.739 1.00 0.00 C ATOM 1189 O LEU A 79 -0.553 8.345 -13.272 1.00 0.00 O ATOM 1190 CB LEU A 79 0.376 11.171 -14.266 1.00 0.00 C ATOM 1191 CG LEU A 79 0.088 12.631 -14.614 1.00 0.00 C ATOM 1192 CD1 LEU A 79 0.963 13.086 -15.772 1.00 0.00 C ATOM 1193 CD2 LEU A 79 -1.384 12.819 -14.950 1.00 0.00 C ATOM 0 H LEU A 79 1.100 12.180 -12.139 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.233 10.823 -12.883 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.455 11.019 -14.288 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.050 10.541 -15.047 1.00 0.00 H new ATOM 0 HG LEU A 79 0.323 13.245 -13.744 1.00 0.00 H new ATOM 0 HD11 LEU A 79 0.744 14.128 -16.006 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.013 12.989 -15.495 1.00 0.00 H new ATOM 0 HD13 LEU A 79 0.760 12.468 -16.646 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.571 13.865 -15.195 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.645 12.194 -15.804 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.992 12.533 -14.092 1.00 0.00 H new ATOM 1205 N LYS A 80 1.206 8.904 -11.987 1.00 0.00 N ATOM 1206 CA LYS A 80 1.603 7.523 -11.737 1.00 0.00 C ATOM 1207 C LYS A 80 0.790 6.921 -10.595 1.00 0.00 C ATOM 1208 O LYS A 80 0.994 5.768 -10.216 1.00 0.00 O ATOM 1209 CB LYS A 80 3.096 7.451 -11.408 1.00 0.00 C ATOM 1210 CG LYS A 80 3.503 8.329 -10.238 1.00 0.00 C ATOM 1211 CD LYS A 80 4.704 9.195 -10.582 1.00 0.00 C ATOM 1212 CE LYS A 80 5.368 9.750 -9.331 1.00 0.00 C ATOM 1213 NZ LYS A 80 5.459 11.236 -9.365 1.00 0.00 N ATOM 0 H LYS A 80 1.801 9.601 -11.540 1.00 0.00 H new ATOM 0 HA LYS A 80 1.408 6.946 -12.641 1.00 0.00 H new ATOM 0 HB2 LYS A 80 3.361 6.417 -11.185 1.00 0.00 H new ATOM 0 HB3 LYS A 80 3.668 7.744 -12.288 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.666 8.965 -9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.739 7.703 -9.377 1.00 0.00 H new ATOM 0 HD2 LYS A 80 5.427 8.608 -11.149 1.00 0.00 H new ATOM 0 HD3 LYS A 80 4.389 10.018 -11.223 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.803 9.441 -8.452 1.00 0.00 H new ATOM 0 HE3 LYS A 80 6.368 9.327 -9.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.457 11.521 -9.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.940 11.597 -10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.044 11.629 -8.496 1.00 0.00 H new ATOM 1227 N ASP A 81 -0.132 7.709 -10.052 1.00 0.00 N ATOM 1228 CA ASP A 81 -0.977 7.253 -8.955 1.00 0.00 C ATOM 1229 C ASP A 81 -2.272 6.644 -9.484 1.00 0.00 C ATOM 1230 O ASP A 81 -2.930 5.865 -8.795 1.00 0.00 O ATOM 1231 CB ASP A 81 -1.293 8.413 -8.010 1.00 0.00 C ATOM 1232 CG ASP A 81 -1.324 7.983 -6.556 1.00 0.00 C ATOM 1233 OD1 ASP A 81 -0.243 7.918 -5.934 1.00 0.00 O ATOM 1234 OD2 ASP A 81 -2.428 7.711 -6.041 1.00 0.00 O ATOM 0 H ASP A 81 -0.313 8.666 -10.354 1.00 0.00 H new ATOM 0 HA ASP A 81 -0.433 6.485 -8.405 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -0.546 9.196 -8.138 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -2.257 8.845 -8.279 1.00 0.00 H new ATOM 1239 N SER A 82 -2.632 7.006 -10.711 1.00 0.00 N ATOM 1240 CA SER A 82 -3.851 6.500 -11.331 1.00 0.00 C ATOM 1241 C SER A 82 -3.904 4.976 -11.261 1.00 0.00 C ATOM 1242 O SER A 82 -3.176 4.286 -11.973 1.00 0.00 O ATOM 1243 CB SER A 82 -3.937 6.958 -12.788 1.00 0.00 C ATOM 1244 OG SER A 82 -3.308 8.216 -12.964 1.00 0.00 O ATOM 0 H SER A 82 -2.097 7.648 -11.296 1.00 0.00 H new ATOM 0 HA SER A 82 -4.702 6.902 -10.781 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.465 6.218 -13.434 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.982 7.025 -13.091 1.00 0.00 H new ATOM 0 HG SER A 82 -2.352 8.083 -13.135 1.00 0.00 H new ATOM 1250 N GLY A 83 -4.772 4.459 -10.396 1.00 0.00 N ATOM 1251 CA GLY A 83 -4.904 3.022 -10.248 1.00 0.00 C ATOM 1252 C GLY A 83 -6.220 2.623 -9.610 1.00 0.00 C ATOM 1253 O GLY A 83 -7.290 2.872 -10.167 1.00 0.00 O ATOM 0 H GLY A 83 -5.386 5.010 -9.796 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -4.821 2.550 -11.227 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -4.081 2.645 -9.641 1.00 0.00 H new ATOM 1257 N THR A 84 -6.143 2.001 -8.438 1.00 0.00 N ATOM 1258 CA THR A 84 -7.337 1.565 -7.725 1.00 0.00 C ATOM 1259 C THR A 84 -7.067 1.433 -6.230 1.00 0.00 C ATOM 1260 O THR A 84 -6.306 0.565 -5.802 1.00 0.00 O ATOM 1261 CB THR A 84 -7.851 0.216 -8.263 1.00 0.00 C ATOM 1262 OG1 THR A 84 -8.025 0.289 -9.682 1.00 0.00 O ATOM 1263 CG2 THR A 84 -9.169 -0.162 -7.604 1.00 0.00 C ATOM 0 H THR A 84 -5.266 1.788 -7.962 1.00 0.00 H new ATOM 0 HA THR A 84 -8.099 2.327 -7.888 1.00 0.00 H new ATOM 0 HB THR A 84 -7.112 -0.550 -8.027 1.00 0.00 H new ATOM 0 HG1 THR A 84 -8.350 -0.573 -10.016 1.00 0.00 H new ATOM 0 HG21 THR A 84 -9.513 -1.118 -7.999 1.00 0.00 H new ATOM 0 HG22 THR A 84 -9.026 -0.245 -6.527 1.00 0.00 H new ATOM 0 HG23 THR A 84 -9.914 0.606 -7.813 1.00 0.00 H new ATOM 1271 N ILE A 85 -7.697 2.298 -5.442 1.00 0.00 N ATOM 1272 CA ILE A 85 -7.525 2.276 -3.994 1.00 0.00 C ATOM 1273 C ILE A 85 -7.960 0.937 -3.409 1.00 0.00 C ATOM 1274 O ILE A 85 -9.116 0.533 -3.547 1.00 0.00 O ATOM 1275 CB ILE A 85 -8.324 3.404 -3.316 1.00 0.00 C ATOM 1276 CG1 ILE A 85 -7.885 4.766 -3.856 1.00 0.00 C ATOM 1277 CG2 ILE A 85 -8.147 3.344 -1.806 1.00 0.00 C ATOM 1278 CD1 ILE A 85 -6.450 5.112 -3.527 1.00 0.00 C ATOM 0 H ILE A 85 -8.330 3.022 -5.781 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.463 2.426 -3.800 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.381 3.268 -3.544 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.014 4.778 -4.938 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.539 5.537 -3.449 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.718 4.148 -1.341 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.505 2.383 -1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -7.092 3.458 -1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -6.208 6.091 -3.941 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -6.320 5.133 -2.445 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -5.787 4.362 -3.958 1.00 0.00 H new ATOM 1290 N TYR A 86 -7.029 0.253 -2.755 1.00 0.00 N ATOM 1291 CA TYR A 86 -7.316 -1.042 -2.149 1.00 0.00 C ATOM 1292 C TYR A 86 -7.367 -0.932 -0.628 1.00 0.00 C ATOM 1293 O TYR A 86 -6.440 -1.346 0.068 1.00 0.00 O ATOM 1294 CB TYR A 86 -6.258 -2.068 -2.561 1.00 0.00 C ATOM 1295 CG TYR A 86 -6.462 -2.620 -3.954 1.00 0.00 C ATOM 1296 CD1 TYR A 86 -7.549 -3.435 -4.248 1.00 0.00 C ATOM 1297 CD2 TYR A 86 -5.568 -2.327 -4.977 1.00 0.00 C ATOM 1298 CE1 TYR A 86 -7.738 -3.942 -5.518 1.00 0.00 C ATOM 1299 CE2 TYR A 86 -5.751 -2.829 -6.251 1.00 0.00 C ATOM 1300 CZ TYR A 86 -6.837 -3.636 -6.516 1.00 0.00 C ATOM 1301 OH TYR A 86 -7.023 -4.139 -7.784 1.00 0.00 O ATOM 0 H TYR A 86 -6.069 0.573 -2.631 1.00 0.00 H new ATOM 0 HA TYR A 86 -8.292 -1.373 -2.505 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -5.273 -1.605 -2.503 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.266 -2.892 -1.848 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -8.258 -3.676 -3.470 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.716 -1.696 -4.772 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -8.587 -4.575 -5.729 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -5.047 -2.591 -7.035 1.00 0.00 H new ATOM 0 HH TYR A 86 -6.301 -3.828 -8.369 1.00 0.00 H new ATOM 1311 N PHE A 87 -8.459 -0.371 -0.118 1.00 0.00 N ATOM 1312 CA PHE A 87 -8.633 -0.206 1.320 1.00 0.00 C ATOM 1313 C PHE A 87 -8.529 -1.548 2.039 1.00 0.00 C ATOM 1314 O PHE A 87 -8.829 -2.595 1.465 1.00 0.00 O ATOM 1315 CB PHE A 87 -9.986 0.443 1.620 1.00 0.00 C ATOM 1316 CG PHE A 87 -10.250 0.629 3.087 1.00 0.00 C ATOM 1317 CD1 PHE A 87 -9.630 1.649 3.791 1.00 0.00 C ATOM 1318 CD2 PHE A 87 -11.116 -0.216 3.761 1.00 0.00 C ATOM 1319 CE1 PHE A 87 -9.871 1.824 5.141 1.00 0.00 C ATOM 1320 CE2 PHE A 87 -11.361 -0.046 5.111 1.00 0.00 C ATOM 1321 CZ PHE A 87 -10.736 0.975 5.802 1.00 0.00 C ATOM 0 H PHE A 87 -9.236 -0.023 -0.680 1.00 0.00 H new ATOM 0 HA PHE A 87 -7.837 0.443 1.685 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -10.032 1.413 1.125 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.778 -0.172 1.192 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -8.951 2.315 3.279 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -11.605 -1.017 3.226 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.383 2.624 5.678 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -12.040 -0.710 5.625 1.00 0.00 H new ATOM 0 HZ PHE A 87 -10.924 1.108 6.857 1.00 0.00 H new ATOM 1331 N GLU A 88 -8.102 -1.507 3.297 1.00 0.00 N ATOM 1332 CA GLU A 88 -7.958 -2.720 4.093 1.00 0.00 C ATOM 1333 C GLU A 88 -8.537 -2.526 5.491 1.00 0.00 C ATOM 1334 O GLU A 88 -8.319 -1.495 6.127 1.00 0.00 O ATOM 1335 CB GLU A 88 -6.484 -3.120 4.191 1.00 0.00 C ATOM 1336 CG GLU A 88 -6.090 -4.233 3.234 1.00 0.00 C ATOM 1337 CD GLU A 88 -4.642 -4.653 3.393 1.00 0.00 C ATOM 1338 OE1 GLU A 88 -4.095 -4.493 4.504 1.00 0.00 O ATOM 1339 OE2 GLU A 88 -4.055 -5.143 2.405 1.00 0.00 O ATOM 0 H GLU A 88 -7.850 -0.648 3.786 1.00 0.00 H new ATOM 0 HA GLU A 88 -8.512 -3.517 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -5.865 -2.245 3.992 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -6.269 -3.437 5.212 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -6.735 -5.096 3.401 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -6.258 -3.902 2.209 1.00 0.00 H new ATOM 1346 N ALA A 89 -9.277 -3.524 5.963 1.00 0.00 N ATOM 1347 CA ALA A 89 -9.887 -3.464 7.285 1.00 0.00 C ATOM 1348 C ALA A 89 -10.410 -4.831 7.711 1.00 0.00 C ATOM 1349 O ALA A 89 -11.519 -5.222 7.350 1.00 0.00 O ATOM 1350 CB ALA A 89 -11.011 -2.438 7.302 1.00 0.00 C ATOM 0 H ALA A 89 -9.468 -4.384 5.449 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.121 -3.159 7.998 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -11.458 -2.404 8.296 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -10.611 -1.456 7.050 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -11.771 -2.718 6.572 1.00 0.00 H new ATOM 1356 N GLY A 90 -9.603 -5.555 8.481 1.00 0.00 N ATOM 1357 CA GLY A 90 -10.002 -6.872 8.943 1.00 0.00 C ATOM 1358 C GLY A 90 -9.818 -7.939 7.881 1.00 0.00 C ATOM 1359 O GLY A 90 -8.693 -8.234 7.477 1.00 0.00 O ATOM 0 H GLY A 90 -8.680 -5.253 8.793 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -9.418 -7.137 9.825 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -11.048 -6.845 9.249 1.00 0.00 H new ATOM 1363 N ASP A 91 -10.924 -8.520 7.431 1.00 0.00 N ATOM 1364 CA ASP A 91 -10.880 -9.560 6.410 1.00 0.00 C ATOM 1365 C ASP A 91 -11.568 -9.096 5.130 1.00 0.00 C ATOM 1366 O ASP A 91 -12.025 -9.912 4.330 1.00 0.00 O ATOM 1367 CB ASP A 91 -11.543 -10.838 6.926 1.00 0.00 C ATOM 1368 CG ASP A 91 -10.979 -11.286 8.260 1.00 0.00 C ATOM 1369 OD1 ASP A 91 -11.177 -10.564 9.260 1.00 0.00 O ATOM 1370 OD2 ASP A 91 -10.338 -12.357 8.305 1.00 0.00 O ATOM 0 H ASP A 91 -11.862 -8.289 7.757 1.00 0.00 H new ATOM 0 HA ASP A 91 -9.834 -9.768 6.183 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -12.616 -10.672 7.026 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -11.410 -11.634 6.193 1.00 0.00 H new ATOM 1375 N GLN A 92 -11.639 -7.782 4.946 1.00 0.00 N ATOM 1376 CA GLN A 92 -12.273 -7.210 3.764 1.00 0.00 C ATOM 1377 C GLN A 92 -11.295 -6.329 2.994 1.00 0.00 C ATOM 1378 O GLN A 92 -10.150 -6.145 3.409 1.00 0.00 O ATOM 1379 CB GLN A 92 -13.505 -6.397 4.164 1.00 0.00 C ATOM 1380 CG GLN A 92 -14.565 -7.213 4.885 1.00 0.00 C ATOM 1381 CD GLN A 92 -15.217 -8.247 3.988 1.00 0.00 C ATOM 1382 OE1 GLN A 92 -15.925 -7.905 3.041 1.00 0.00 O ATOM 1383 NE2 GLN A 92 -14.981 -9.520 4.283 1.00 0.00 N ATOM 0 H GLN A 92 -11.266 -7.094 5.600 1.00 0.00 H new ATOM 0 HA GLN A 92 -12.582 -8.030 3.116 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -13.193 -5.573 4.806 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -13.944 -5.955 3.270 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -14.112 -7.714 5.741 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -15.330 -6.543 5.276 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -14.387 -9.758 5.078 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -15.393 -10.260 3.715 1.00 0.00 H new ATOM 1392 N ARG A 93 -11.753 -5.786 1.871 1.00 0.00 N ATOM 1393 CA ARG A 93 -10.918 -4.925 1.042 1.00 0.00 C ATOM 1394 C ARG A 93 -11.755 -4.207 -0.012 1.00 0.00 C ATOM 1395 O ARG A 93 -12.358 -4.841 -0.878 1.00 0.00 O ATOM 1396 CB ARG A 93 -9.818 -5.745 0.364 1.00 0.00 C ATOM 1397 CG ARG A 93 -8.745 -4.895 -0.297 1.00 0.00 C ATOM 1398 CD ARG A 93 -7.964 -5.691 -1.332 1.00 0.00 C ATOM 1399 NE ARG A 93 -8.785 -6.041 -2.488 1.00 0.00 N ATOM 1400 CZ ARG A 93 -8.444 -6.965 -3.379 1.00 0.00 C ATOM 1401 NH1 ARG A 93 -7.304 -7.629 -3.247 1.00 0.00 N ATOM 1402 NH2 ARG A 93 -9.244 -7.227 -4.404 1.00 0.00 N ATOM 0 H ARG A 93 -12.698 -5.927 1.514 1.00 0.00 H new ATOM 0 HA ARG A 93 -10.458 -4.176 1.687 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -9.351 -6.393 1.105 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -10.270 -6.393 -0.387 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -9.206 -4.030 -0.774 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -8.062 -4.514 0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -7.103 -5.110 -1.662 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -7.578 -6.601 -0.873 1.00 0.00 H new ATOM 0 HE ARG A 93 -9.669 -5.549 -2.618 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -6.687 -7.431 -2.460 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -7.045 -8.338 -3.933 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -10.122 -6.719 -4.509 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -8.981 -7.937 -5.088 1.00 0.00 H new ATOM 1416 N ALA A 94 -11.788 -2.881 0.068 1.00 0.00 N ATOM 1417 CA ALA A 94 -12.550 -2.077 -0.879 1.00 0.00 C ATOM 1418 C ALA A 94 -11.773 -1.874 -2.176 1.00 0.00 C ATOM 1419 O ALA A 94 -10.585 -2.185 -2.255 1.00 0.00 O ATOM 1420 CB ALA A 94 -12.909 -0.733 -0.262 1.00 0.00 C ATOM 0 H ALA A 94 -11.296 -2.341 0.779 1.00 0.00 H new ATOM 0 HA ALA A 94 -13.469 -2.613 -1.116 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -13.478 -0.143 -0.981 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -13.510 -0.893 0.633 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -11.997 -0.199 0.004 1.00 0.00 H new ATOM 1426 N SER A 95 -12.453 -1.352 -3.192 1.00 0.00 N ATOM 1427 CA SER A 95 -11.828 -1.112 -4.487 1.00 0.00 C ATOM 1428 C SER A 95 -12.532 0.020 -5.229 1.00 0.00 C ATOM 1429 O SER A 95 -13.694 -0.103 -5.614 1.00 0.00 O ATOM 1430 CB SER A 95 -11.856 -2.386 -5.334 1.00 0.00 C ATOM 1431 OG SER A 95 -13.146 -2.971 -5.333 1.00 0.00 O ATOM 0 H SER A 95 -13.437 -1.087 -3.143 1.00 0.00 H new ATOM 0 HA SER A 95 -10.792 -0.821 -4.314 1.00 0.00 H new ATOM 0 HB2 SER A 95 -11.560 -2.153 -6.357 1.00 0.00 H new ATOM 0 HB3 SER A 95 -11.129 -3.100 -4.947 1.00 0.00 H new ATOM 0 HG SER A 95 -13.825 -2.265 -5.309 1.00 0.00 H new ATOM 1437 N ALA A 96 -11.818 1.124 -5.425 1.00 0.00 N ATOM 1438 CA ALA A 96 -12.372 2.279 -6.121 1.00 0.00 C ATOM 1439 C ALA A 96 -11.479 2.698 -7.284 1.00 0.00 C ATOM 1440 O ALA A 96 -10.254 2.680 -7.176 1.00 0.00 O ATOM 1441 CB ALA A 96 -12.562 3.438 -5.154 1.00 0.00 C ATOM 0 H ALA A 96 -10.855 1.243 -5.112 1.00 0.00 H new ATOM 0 HA ALA A 96 -13.344 1.997 -6.526 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -12.976 4.293 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -13.246 3.140 -4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -11.600 3.712 -4.721 1.00 0.00 H new ATOM 1447 N ALA A 97 -12.102 3.075 -8.396 1.00 0.00 N ATOM 1448 CA ALA A 97 -11.364 3.501 -9.579 1.00 0.00 C ATOM 1449 C ALA A 97 -10.689 4.849 -9.349 1.00 0.00 C ATOM 1450 O ALA A 97 -11.327 5.898 -9.446 1.00 0.00 O ATOM 1451 CB ALA A 97 -12.291 3.571 -10.783 1.00 0.00 C ATOM 0 H ALA A 97 -13.116 3.094 -8.502 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.586 2.764 -9.776 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -11.726 3.890 -11.659 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -12.722 2.587 -10.968 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -13.090 4.286 -10.586 1.00 0.00 H new ATOM 1457 N LEU A 98 -9.397 4.814 -9.044 1.00 0.00 N ATOM 1458 CA LEU A 98 -8.635 6.034 -8.800 1.00 0.00 C ATOM 1459 C LEU A 98 -8.040 6.573 -10.097 1.00 0.00 C ATOM 1460 O LEU A 98 -6.954 6.166 -10.510 1.00 0.00 O ATOM 1461 CB LEU A 98 -7.520 5.768 -7.787 1.00 0.00 C ATOM 1462 CG LEU A 98 -6.423 6.829 -7.703 1.00 0.00 C ATOM 1463 CD1 LEU A 98 -7.030 8.216 -7.563 1.00 0.00 C ATOM 1464 CD2 LEU A 98 -5.485 6.536 -6.540 1.00 0.00 C ATOM 0 H LEU A 98 -8.855 3.954 -8.960 1.00 0.00 H new ATOM 0 HA LEU A 98 -9.315 6.783 -8.395 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -7.971 5.661 -6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.056 4.812 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 98 -5.845 6.799 -8.627 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -6.233 8.958 -7.505 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -7.659 8.427 -8.428 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -7.633 8.259 -6.656 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.710 7.302 -6.496 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.050 6.537 -5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.022 5.559 -6.683 1.00 0.00 H new ATOM 1476 N ARG A 99 -8.759 7.493 -10.733 1.00 0.00 N ATOM 1477 CA ARG A 99 -8.302 8.089 -11.983 1.00 0.00 C ATOM 1478 C ARG A 99 -7.613 9.426 -11.727 1.00 0.00 C ATOM 1479 O ARG A 99 -8.049 10.210 -10.884 1.00 0.00 O ATOM 1480 CB ARG A 99 -9.479 8.285 -12.940 1.00 0.00 C ATOM 1481 CG ARG A 99 -10.125 6.983 -13.386 1.00 0.00 C ATOM 1482 CD ARG A 99 -9.188 6.170 -14.266 1.00 0.00 C ATOM 1483 NE ARG A 99 -9.816 4.941 -14.744 1.00 0.00 N ATOM 1484 CZ ARG A 99 -9.171 4.006 -15.433 1.00 0.00 C ATOM 1485 NH1 ARG A 99 -7.886 4.160 -15.724 1.00 0.00 N ATOM 1486 NH2 ARG A 99 -9.811 2.915 -15.833 1.00 0.00 N ATOM 0 H ARG A 99 -9.659 7.841 -10.404 1.00 0.00 H new ATOM 0 HA ARG A 99 -7.582 7.409 -12.439 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -10.231 8.906 -12.454 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -9.135 8.830 -13.819 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -10.405 6.396 -12.511 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -11.043 7.199 -13.932 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -8.877 6.773 -15.119 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -8.287 5.922 -13.705 1.00 0.00 H new ATOM 0 HE ARG A 99 -10.804 4.792 -14.538 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -7.391 4.998 -15.419 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -7.393 3.441 -16.253 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -10.799 2.793 -15.612 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -9.315 2.198 -16.362 1.00 0.00 H new ATOM 1500 N VAL A 100 -6.534 9.680 -12.461 1.00 0.00 N ATOM 1501 CA VAL A 100 -5.784 10.922 -12.314 1.00 0.00 C ATOM 1502 C VAL A 100 -5.184 11.362 -13.645 1.00 0.00 C ATOM 1503 O VAL A 100 -4.316 10.689 -14.201 1.00 0.00 O ATOM 1504 CB VAL A 100 -4.654 10.777 -11.277 1.00 0.00 C ATOM 1505 CG1 VAL A 100 -3.841 12.059 -11.191 1.00 0.00 C ATOM 1506 CG2 VAL A 100 -5.225 10.405 -9.917 1.00 0.00 C ATOM 0 H VAL A 100 -6.160 9.042 -13.163 1.00 0.00 H new ATOM 0 HA VAL A 100 -6.489 11.678 -11.968 1.00 0.00 H new ATOM 0 HB VAL A 100 -3.989 9.975 -11.598 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.048 11.938 -10.454 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.402 12.277 -12.164 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -4.490 12.882 -10.893 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.413 10.307 -9.196 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -5.912 11.184 -9.586 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.759 9.458 -9.993 1.00 0.00 H new ATOM 1516 N THR A 101 -5.653 12.498 -14.152 1.00 0.00 N ATOM 1517 CA THR A 101 -5.163 13.029 -15.418 1.00 0.00 C ATOM 1518 C THR A 101 -4.149 14.145 -15.191 1.00 0.00 C ATOM 1519 O THR A 101 -3.914 14.560 -14.057 1.00 0.00 O ATOM 1520 CB THR A 101 -6.317 13.568 -16.285 1.00 0.00 C ATOM 1521 OG1 THR A 101 -6.815 14.791 -15.732 1.00 0.00 O ATOM 1522 CG2 THR A 101 -7.445 12.551 -16.377 1.00 0.00 C ATOM 0 H THR A 101 -6.371 13.068 -13.705 1.00 0.00 H new ATOM 0 HA THR A 101 -4.680 12.204 -15.941 1.00 0.00 H new ATOM 0 HB THR A 101 -5.933 13.753 -17.288 1.00 0.00 H new ATOM 0 HG1 THR A 101 -7.547 15.128 -16.290 1.00 0.00 H new ATOM 0 HG21 THR A 101 -8.248 12.954 -16.994 1.00 0.00 H new ATOM 0 HG22 THR A 101 -7.070 11.631 -16.825 1.00 0.00 H new ATOM 0 HG23 THR A 101 -7.826 12.339 -15.378 1.00 0.00 H new ATOM 1530 N GLU A 102 -3.553 14.625 -16.278 1.00 0.00 N ATOM 1531 CA GLU A 102 -2.563 15.694 -16.195 1.00 0.00 C ATOM 1532 C GLU A 102 -3.144 16.921 -15.499 1.00 0.00 C ATOM 1533 O GLU A 102 -4.357 17.030 -15.318 1.00 0.00 O ATOM 1534 CB GLU A 102 -2.072 16.072 -17.594 1.00 0.00 C ATOM 1535 CG GLU A 102 -0.862 15.275 -18.050 1.00 0.00 C ATOM 1536 CD GLU A 102 -0.819 15.089 -19.555 1.00 0.00 C ATOM 1537 OE1 GLU A 102 -0.579 16.084 -20.269 1.00 0.00 O ATOM 1538 OE2 GLU A 102 -1.025 13.947 -20.017 1.00 0.00 O ATOM 0 H GLU A 102 -3.737 14.292 -17.224 1.00 0.00 H new ATOM 0 HA GLU A 102 -1.720 15.330 -15.607 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.883 15.925 -18.307 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -1.824 17.133 -17.608 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.046 15.782 -17.724 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.872 14.298 -17.567 1.00 0.00 H new ATOM 1545 N LYS A 103 -2.270 17.842 -15.109 1.00 0.00 N ATOM 1546 CA LYS A 103 -2.693 19.062 -14.433 1.00 0.00 C ATOM 1547 C LYS A 103 -2.053 20.290 -15.074 1.00 0.00 C ATOM 1548 O LYS A 103 -0.991 20.214 -15.692 1.00 0.00 O ATOM 1549 CB LYS A 103 -2.328 19.000 -12.948 1.00 0.00 C ATOM 1550 CG LYS A 103 -0.899 19.423 -12.655 1.00 0.00 C ATOM 1551 CD LYS A 103 0.104 18.526 -13.361 1.00 0.00 C ATOM 1552 CE LYS A 103 1.451 18.532 -12.655 1.00 0.00 C ATOM 1553 NZ LYS A 103 2.281 17.355 -13.033 1.00 0.00 N ATOM 0 H LYS A 103 -1.263 17.766 -15.250 1.00 0.00 H new ATOM 0 HA LYS A 103 -3.775 19.145 -14.532 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -3.010 19.640 -12.388 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -2.478 17.982 -12.588 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -0.752 20.455 -12.972 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -0.723 19.392 -11.580 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -0.282 17.508 -13.401 1.00 0.00 H new ATOM 0 HD3 LYS A 103 0.230 18.860 -14.391 1.00 0.00 H new ATOM 0 HE2 LYS A 103 1.987 19.448 -12.903 1.00 0.00 H new ATOM 0 HE3 LYS A 103 1.295 18.535 -11.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 2.708 16.942 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 1.683 16.644 -13.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 3.033 17.656 -13.685 1.00 0.00 H new