USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 741 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 43 LYS NZ :NH3+ 172:sc= -1.71! (180deg=-3.82!) USER MOD Set 1.2: A 94 TYR OH : rot 151:sc= 0.908 USER MOD Set 2.1: A 36 SER OG : rot -15:sc= 1.12 USER MOD Set 2.2: A 90 LYS NZ :NH3+ -153:sc= 2.23 (180deg=1.76) USER MOD Set 2.3: A 91 ASN : amide:sc= -5.67! C(o=-2.3!,f=-5!) USER MOD Set 3.1: A 33 MET CE :methyl -109:sc= -1.17 (180deg=-2.89!) USER MOD Set 3.2: A 37 THR OG1 : rot -68:sc= -0.402 USER MOD Set 4.1: A 25 THR OG1 : rot -160:sc= 0 USER MOD Set 4.2: A 31 HIS : no HD1:sc= 0.913 K(o=0.91,f=-3.3!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -109:sc= -0.0586 (180deg=-0.461) USER MOD Single : A 24 ASN : amide:sc= 0.0102 X(o=0.01,f=0) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ -171:sc= 2.23 (180deg=2.1) USER MOD Single : A 44 TYR OH : rot 30:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -1.05! X(o=-1.1!,f=-0.9) USER MOD Single : A 67 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 THR OG1 : rot 76:sc= 0.566 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ -167:sc=-0.00192 (180deg=-0.157) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 93:sc= 1.2 USER MOD Single : A 85 ASN : amide:sc= -1.61! C(o=-1.6!,f=-3.2!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl -145:sc= -0.742 (180deg=-1.89!) USER MOD Single : A 100 GLN : amide:sc= -0.457 X(o=-0.46,f=0) USER MOD Single : A 102 GLN : amide:sc= -1.05 K(o=-1,f=-5.7!) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.361 X(o=-0.36,f=-0.13) USER MOD ----------------------------------------------------------------- ATOM 163 N ALA A 12 12.093 2.091 -0.118 1.00 0.00 N ATOM 164 CA ALA A 12 10.974 1.355 -0.669 1.00 0.00 C ATOM 165 C ALA A 12 9.688 1.747 0.040 1.00 0.00 C ATOM 166 O ALA A 12 8.687 2.058 -0.600 1.00 0.00 O ATOM 167 CB ALA A 12 11.217 -0.141 -0.556 1.00 0.00 C ATOM 0 HA ALA A 12 10.875 1.605 -1.725 1.00 0.00 H new ATOM 0 HB1 ALA A 12 10.367 -0.680 -0.974 1.00 0.00 H new ATOM 0 HB2 ALA A 12 12.121 -0.405 -1.105 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.338 -0.412 0.493 1.00 0.00 H new ATOM 173 N ILE A 13 9.738 1.765 1.368 1.00 0.00 N ATOM 174 CA ILE A 13 8.566 2.094 2.176 1.00 0.00 C ATOM 175 C ILE A 13 8.105 3.526 1.912 1.00 0.00 C ATOM 176 O ILE A 13 6.918 3.779 1.722 1.00 0.00 O ATOM 177 CB ILE A 13 8.856 1.919 3.684 1.00 0.00 C ATOM 178 CG1 ILE A 13 9.357 0.498 3.968 1.00 0.00 C ATOM 179 CG2 ILE A 13 7.605 2.219 4.507 1.00 0.00 C ATOM 180 CD1 ILE A 13 9.734 0.256 5.415 1.00 0.00 C ATOM 0 H ILE A 13 10.577 1.556 1.909 1.00 0.00 H new ATOM 0 HA ILE A 13 7.773 1.404 1.888 1.00 0.00 H new ATOM 0 HB ILE A 13 9.634 2.625 3.972 1.00 0.00 H new ATOM 0 HG12 ILE A 13 8.583 -0.213 3.681 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.224 0.297 3.339 1.00 0.00 H new ATOM 0 HG21 ILE A 13 7.827 2.091 5.566 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.287 3.245 4.324 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.807 1.535 4.218 1.00 0.00 H new ATOM 0 HD11 ILE A 13 10.078 -0.771 5.534 1.00 0.00 H new ATOM 0 HD12 ILE A 13 10.531 0.942 5.703 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.864 0.423 6.050 1.00 0.00 H new ATOM 192 N GLU A 14 9.061 4.448 1.887 1.00 0.00 N ATOM 193 CA GLU A 14 8.784 5.864 1.648 1.00 0.00 C ATOM 194 C GLU A 14 7.986 6.058 0.355 1.00 0.00 C ATOM 195 O GLU A 14 6.899 6.648 0.358 1.00 0.00 O ATOM 196 CB GLU A 14 10.109 6.637 1.585 1.00 0.00 C ATOM 197 CG GLU A 14 9.954 8.133 1.348 1.00 0.00 C ATOM 198 CD GLU A 14 9.129 8.819 2.416 1.00 0.00 C ATOM 199 OE1 GLU A 14 9.043 8.295 3.546 1.00 0.00 O ATOM 200 OE2 GLU A 14 8.537 9.881 2.121 1.00 0.00 O ATOM 0 H GLU A 14 10.049 4.238 2.031 1.00 0.00 H new ATOM 0 HA GLU A 14 8.179 6.249 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 14 10.650 6.484 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.723 6.217 0.788 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.941 8.593 1.308 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.487 8.295 0.376 1.00 0.00 H new ATOM 207 N LYS A 15 8.521 5.529 -0.737 1.00 0.00 N ATOM 208 CA LYS A 15 7.887 5.667 -2.035 1.00 0.00 C ATOM 209 C LYS A 15 6.576 4.897 -2.099 1.00 0.00 C ATOM 210 O LYS A 15 5.626 5.350 -2.722 1.00 0.00 O ATOM 211 CB LYS A 15 8.830 5.204 -3.141 1.00 0.00 C ATOM 212 CG LYS A 15 9.976 6.168 -3.369 1.00 0.00 C ATOM 213 CD LYS A 15 10.943 5.652 -4.414 1.00 0.00 C ATOM 214 CE LYS A 15 12.028 6.673 -4.704 1.00 0.00 C ATOM 215 NZ LYS A 15 13.113 6.105 -5.548 1.00 0.00 N ATOM 0 H LYS A 15 9.393 5.000 -0.747 1.00 0.00 H new ATOM 0 HA LYS A 15 7.661 6.723 -2.184 1.00 0.00 H new ATOM 0 HB2 LYS A 15 9.230 4.223 -2.885 1.00 0.00 H new ATOM 0 HB3 LYS A 15 8.268 5.087 -4.068 1.00 0.00 H new ATOM 0 HG2 LYS A 15 9.582 7.134 -3.684 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.507 6.331 -2.431 1.00 0.00 H new ATOM 0 HD2 LYS A 15 11.396 4.723 -4.068 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.402 5.420 -5.332 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.590 7.535 -5.207 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.449 7.032 -3.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.834 6.834 -5.723 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.548 5.298 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 12.716 5.785 -6.455 1.00 0.00 H new ATOM 229 N ALA A 16 6.525 3.744 -1.440 1.00 0.00 N ATOM 230 CA ALA A 16 5.312 2.931 -1.419 1.00 0.00 C ATOM 231 C ALA A 16 4.176 3.658 -0.703 1.00 0.00 C ATOM 232 O ALA A 16 3.017 3.562 -1.106 1.00 0.00 O ATOM 233 CB ALA A 16 5.574 1.587 -0.759 1.00 0.00 C ATOM 0 H ALA A 16 7.306 3.352 -0.915 1.00 0.00 H new ATOM 0 HA ALA A 16 5.011 2.758 -2.452 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.656 0.999 -0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 16 6.345 1.053 -1.315 1.00 0.00 H new ATOM 0 HB3 ALA A 16 5.909 1.744 0.266 1.00 0.00 H new ATOM 239 N LEU A 17 4.517 4.389 0.349 1.00 0.00 N ATOM 240 CA LEU A 17 3.527 5.139 1.112 1.00 0.00 C ATOM 241 C LEU A 17 2.888 6.226 0.259 1.00 0.00 C ATOM 242 O LEU A 17 1.664 6.358 0.225 1.00 0.00 O ATOM 243 CB LEU A 17 4.161 5.756 2.361 1.00 0.00 C ATOM 244 CG LEU A 17 4.592 4.756 3.436 1.00 0.00 C ATOM 245 CD1 LEU A 17 5.259 5.476 4.594 1.00 0.00 C ATOM 246 CD2 LEU A 17 3.397 3.956 3.927 1.00 0.00 C ATOM 0 H LEU A 17 5.472 4.479 0.695 1.00 0.00 H new ATOM 0 HA LEU A 17 2.748 4.442 1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 17 5.032 6.336 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 17 3.450 6.455 2.802 1.00 0.00 H new ATOM 0 HG LEU A 17 5.313 4.067 2.996 1.00 0.00 H new ATOM 0 HD11 LEU A 17 5.559 4.750 5.349 1.00 0.00 H new ATOM 0 HD12 LEU A 17 6.139 6.009 4.233 1.00 0.00 H new ATOM 0 HD13 LEU A 17 4.559 6.187 5.032 1.00 0.00 H new ATOM 0 HD21 LEU A 17 3.721 3.250 4.691 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.655 4.633 4.350 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.956 3.411 3.092 1.00 0.00 H new ATOM 258 N ASP A 18 3.709 6.993 -0.453 1.00 0.00 N ATOM 259 CA ASP A 18 3.182 8.074 -1.286 1.00 0.00 C ATOM 260 C ASP A 18 2.699 7.539 -2.626 1.00 0.00 C ATOM 261 O ASP A 18 1.993 8.227 -3.364 1.00 0.00 O ATOM 262 CB ASP A 18 4.217 9.182 -1.482 1.00 0.00 C ATOM 263 CG ASP A 18 3.945 10.380 -0.589 1.00 0.00 C ATOM 264 OD1 ASP A 18 3.834 10.197 0.643 1.00 0.00 O ATOM 265 OD2 ASP A 18 3.831 11.509 -1.114 1.00 0.00 O ATOM 0 H ASP A 18 4.724 6.891 -0.472 1.00 0.00 H new ATOM 0 HA ASP A 18 2.329 8.508 -0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.212 8.790 -1.270 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.215 9.499 -2.525 1.00 0.00 H new ATOM 270 N PHE A 19 3.076 6.305 -2.928 1.00 0.00 N ATOM 271 CA PHE A 19 2.571 5.609 -4.105 1.00 0.00 C ATOM 272 C PHE A 19 1.077 5.390 -3.956 1.00 0.00 C ATOM 273 O PHE A 19 0.310 5.567 -4.898 1.00 0.00 O ATOM 274 CB PHE A 19 3.268 4.257 -4.263 1.00 0.00 C ATOM 275 CG PHE A 19 3.880 4.039 -5.614 1.00 0.00 C ATOM 276 CD1 PHE A 19 5.149 4.515 -5.892 1.00 0.00 C ATOM 277 CD2 PHE A 19 3.189 3.357 -6.602 1.00 0.00 C ATOM 278 CE1 PHE A 19 5.720 4.313 -7.135 1.00 0.00 C ATOM 279 CE2 PHE A 19 3.754 3.151 -7.844 1.00 0.00 C ATOM 280 CZ PHE A 19 5.021 3.629 -8.112 1.00 0.00 C ATOM 0 H PHE A 19 3.735 5.761 -2.370 1.00 0.00 H new ATOM 0 HA PHE A 19 2.772 6.215 -4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.046 4.171 -3.505 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.546 3.463 -4.070 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.699 5.049 -5.131 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.197 2.982 -6.398 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.711 4.689 -7.342 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.206 2.616 -8.605 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.465 3.469 -9.083 1.00 0.00 H new ATOM 290 N ILE A 20 0.684 4.987 -2.756 1.00 0.00 N ATOM 291 CA ILE A 20 -0.719 4.831 -2.422 1.00 0.00 C ATOM 292 C ILE A 20 -1.359 6.203 -2.235 1.00 0.00 C ATOM 293 O ILE A 20 -2.487 6.431 -2.666 1.00 0.00 O ATOM 294 CB ILE A 20 -0.897 3.996 -1.132 1.00 0.00 C ATOM 295 CG1 ILE A 20 -0.220 2.631 -1.284 1.00 0.00 C ATOM 296 CG2 ILE A 20 -2.372 3.825 -0.799 1.00 0.00 C ATOM 297 CD1 ILE A 20 -0.263 1.792 -0.025 1.00 0.00 C ATOM 0 H ILE A 20 1.324 4.761 -1.995 1.00 0.00 H new ATOM 0 HA ILE A 20 -1.207 4.304 -3.242 1.00 0.00 H new ATOM 0 HB ILE A 20 -0.422 4.531 -0.309 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -0.703 2.083 -2.093 1.00 0.00 H new ATOM 0 HG13 ILE A 20 0.819 2.780 -1.576 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -2.473 3.235 0.112 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -2.827 4.804 -0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -2.874 3.314 -1.621 1.00 0.00 H new ATOM 0 HD11 ILE A 20 0.235 0.839 -0.206 1.00 0.00 H new ATOM 0 HD12 ILE A 20 0.246 2.320 0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -1.300 1.612 0.257 1.00 0.00 H new ATOM 309 N GLY A 21 -0.607 7.108 -1.608 1.00 0.00 N ATOM 310 CA GLY A 21 -1.094 8.451 -1.336 1.00 0.00 C ATOM 311 C GLY A 21 -1.581 9.169 -2.580 1.00 0.00 C ATOM 312 O GLY A 21 -2.655 9.767 -2.572 1.00 0.00 O ATOM 0 H GLY A 21 0.342 6.930 -1.280 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.908 8.397 -0.613 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -0.297 9.034 -0.876 1.00 0.00 H new ATOM 316 N GLY A 22 -0.777 9.131 -3.636 1.00 0.00 N ATOM 317 CA GLY A 22 -1.181 9.714 -4.904 1.00 0.00 C ATOM 318 C GLY A 22 -1.260 11.229 -4.868 1.00 0.00 C ATOM 319 O GLY A 22 -1.831 11.844 -5.773 1.00 0.00 O ATOM 0 H GLY A 22 0.150 8.706 -3.638 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -0.474 9.412 -5.677 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.154 9.313 -5.187 1.00 0.00 H new ATOM 323 N MET A 23 -0.669 11.825 -3.828 1.00 0.00 N ATOM 324 CA MET A 23 -0.676 13.278 -3.629 1.00 0.00 C ATOM 325 C MET A 23 -2.082 13.793 -3.314 1.00 0.00 C ATOM 326 O MET A 23 -3.067 13.060 -3.413 1.00 0.00 O ATOM 327 CB MET A 23 -0.102 14.015 -4.848 1.00 0.00 C ATOM 328 CG MET A 23 1.421 14.022 -4.918 1.00 0.00 C ATOM 329 SD MET A 23 2.144 12.392 -5.197 1.00 0.00 S ATOM 330 CE MET A 23 1.571 12.034 -6.857 1.00 0.00 C ATOM 0 H MET A 23 -0.172 11.313 -3.099 1.00 0.00 H new ATOM 0 HA MET A 23 -0.036 13.485 -2.771 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.493 13.553 -5.754 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.458 15.045 -4.836 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.736 14.691 -5.719 1.00 0.00 H new ATOM 0 HG3 MET A 23 1.816 14.430 -3.988 1.00 0.00 H new ATOM 0 HE1 MET A 23 0.815 11.250 -6.820 1.00 0.00 H new ATOM 0 HE2 MET A 23 1.140 12.934 -7.295 1.00 0.00 H new ATOM 0 HE3 MET A 23 2.410 11.700 -7.467 1.00 0.00 H new ATOM 340 N ASN A 24 -2.173 15.053 -2.915 1.00 0.00 N ATOM 341 CA ASN A 24 -3.461 15.650 -2.597 1.00 0.00 C ATOM 342 C ASN A 24 -4.206 16.034 -3.864 1.00 0.00 C ATOM 343 O ASN A 24 -3.830 16.976 -4.566 1.00 0.00 O ATOM 344 CB ASN A 24 -3.292 16.863 -1.679 1.00 0.00 C ATOM 345 CG ASN A 24 -3.122 16.463 -0.226 1.00 0.00 C ATOM 346 OD1 ASN A 24 -2.008 16.230 0.248 1.00 0.00 O ATOM 347 ND2 ASN A 24 -4.231 16.378 0.492 1.00 0.00 N ATOM 0 H ASN A 24 -1.375 15.679 -2.804 1.00 0.00 H new ATOM 0 HA ASN A 24 -4.054 14.905 -2.066 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.425 17.440 -1.999 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -4.161 17.513 -1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -4.183 16.111 1.475 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -5.134 16.579 0.062 1.00 0.00 H new ATOM 354 N THR A 25 -5.250 15.278 -4.160 1.00 0.00 N ATOM 355 CA THR A 25 -6.056 15.504 -5.346 1.00 0.00 C ATOM 356 C THR A 25 -7.511 15.773 -4.967 1.00 0.00 C ATOM 357 O THR A 25 -7.830 15.945 -3.786 1.00 0.00 O ATOM 358 CB THR A 25 -5.976 14.291 -6.291 1.00 0.00 C ATOM 359 OG1 THR A 25 -6.139 13.079 -5.543 1.00 0.00 O ATOM 360 CG2 THR A 25 -4.646 14.259 -7.027 1.00 0.00 C ATOM 0 H THR A 25 -5.561 14.494 -3.587 1.00 0.00 H new ATOM 0 HA THR A 25 -5.662 16.380 -5.861 1.00 0.00 H new ATOM 0 HB THR A 25 -6.776 14.380 -7.026 1.00 0.00 H new ATOM 0 HG1 THR A 25 -5.782 12.326 -6.058 1.00 0.00 H new ATOM 0 HG21 THR A 25 -4.616 13.392 -7.687 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.535 15.169 -7.617 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.832 14.193 -6.305 1.00 0.00 H new ATOM 368 N SER A 26 -8.384 15.816 -5.967 1.00 0.00 N ATOM 369 CA SER A 26 -9.799 16.083 -5.749 1.00 0.00 C ATOM 370 C SER A 26 -10.492 14.871 -5.121 1.00 0.00 C ATOM 371 O SER A 26 -9.892 13.798 -4.988 1.00 0.00 O ATOM 372 CB SER A 26 -10.463 16.449 -7.081 1.00 0.00 C ATOM 373 OG SER A 26 -11.785 16.933 -6.893 1.00 0.00 O ATOM 0 H SER A 26 -8.133 15.668 -6.944 1.00 0.00 H new ATOM 0 HA SER A 26 -9.896 16.920 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 26 -9.867 17.207 -7.589 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.485 15.573 -7.730 1.00 0.00 H new ATOM 0 HG SER A 26 -12.178 17.158 -7.762 1.00 0.00 H new ATOM 430 N HIS A 31 -10.194 7.421 -6.432 1.00 0.00 N ATOM 431 CA HIS A 31 -11.271 7.792 -7.332 1.00 0.00 C ATOM 432 C HIS A 31 -11.644 6.616 -8.232 1.00 0.00 C ATOM 433 O HIS A 31 -12.650 5.944 -8.002 1.00 0.00 O ATOM 434 CB HIS A 31 -10.886 8.999 -8.201 1.00 0.00 C ATOM 435 CG HIS A 31 -10.018 10.023 -7.526 1.00 0.00 C ATOM 436 ND1 HIS A 31 -8.761 10.332 -7.994 1.00 0.00 N ATOM 437 CD2 HIS A 31 -10.229 10.844 -6.455 1.00 0.00 C ATOM 438 CE1 HIS A 31 -8.238 11.291 -7.259 1.00 0.00 C ATOM 439 NE2 HIS A 31 -9.104 11.624 -6.320 1.00 0.00 N ATOM 0 HA HIS A 31 -12.129 8.067 -6.719 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.369 8.636 -9.089 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.799 9.488 -8.541 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.111 10.875 -5.833 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -7.262 11.732 -7.401 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.962 12.343 -5.610 1.00 0.00 H new ATOM 448 N SER A 32 -10.821 6.364 -9.244 1.00 0.00 N ATOM 449 CA SER A 32 -11.087 5.303 -10.202 1.00 0.00 C ATOM 450 C SER A 32 -10.194 4.097 -9.933 1.00 0.00 C ATOM 451 O SER A 32 -10.602 3.136 -9.277 1.00 0.00 O ATOM 452 CB SER A 32 -10.852 5.813 -11.626 1.00 0.00 C ATOM 453 OG SER A 32 -11.613 6.983 -11.878 1.00 0.00 O ATOM 0 H SER A 32 -9.961 6.884 -9.420 1.00 0.00 H new ATOM 0 HA SER A 32 -12.127 4.996 -10.095 1.00 0.00 H new ATOM 0 HB2 SER A 32 -9.793 6.026 -11.770 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.122 5.038 -12.343 1.00 0.00 H new ATOM 0 HG SER A 32 -11.445 7.291 -12.793 1.00 0.00 H new ATOM 459 N MET A 33 -8.955 4.174 -10.402 1.00 0.00 N ATOM 460 CA MET A 33 -8.001 3.095 -10.204 1.00 0.00 C ATOM 461 C MET A 33 -7.232 3.315 -8.919 1.00 0.00 C ATOM 462 O MET A 33 -6.560 2.417 -8.422 1.00 0.00 O ATOM 463 CB MET A 33 -7.045 2.956 -11.400 1.00 0.00 C ATOM 464 CG MET A 33 -6.483 4.267 -11.953 1.00 0.00 C ATOM 465 SD MET A 33 -5.476 5.201 -10.780 1.00 0.00 S ATOM 466 CE MET A 33 -4.271 3.971 -10.286 1.00 0.00 C ATOM 0 H MET A 33 -8.589 4.972 -10.921 1.00 0.00 H new ATOM 0 HA MET A 33 -8.556 2.160 -10.128 1.00 0.00 H new ATOM 0 HB2 MET A 33 -6.211 2.320 -11.103 1.00 0.00 H new ATOM 0 HB3 MET A 33 -7.570 2.439 -12.203 1.00 0.00 H new ATOM 0 HG2 MET A 33 -5.881 4.047 -12.835 1.00 0.00 H new ATOM 0 HG3 MET A 33 -7.312 4.894 -12.281 1.00 0.00 H new ATOM 0 HE1 MET A 33 -4.465 3.664 -9.258 1.00 0.00 H new ATOM 0 HE2 MET A 33 -4.344 3.105 -10.944 1.00 0.00 H new ATOM 0 HE3 MET A 33 -3.269 4.395 -10.355 1.00 0.00 H new ATOM 476 N ASP A 34 -7.370 4.512 -8.373 1.00 0.00 N ATOM 477 CA ASP A 34 -6.728 4.875 -7.119 1.00 0.00 C ATOM 478 C ASP A 34 -7.309 4.023 -5.993 1.00 0.00 C ATOM 479 O ASP A 34 -6.754 3.938 -4.903 1.00 0.00 O ATOM 480 CB ASP A 34 -6.947 6.363 -6.814 1.00 0.00 C ATOM 481 CG ASP A 34 -7.228 7.205 -8.052 1.00 0.00 C ATOM 482 OD1 ASP A 34 -8.328 7.057 -8.632 1.00 0.00 O ATOM 483 OD2 ASP A 34 -6.380 8.032 -8.433 1.00 0.00 O ATOM 0 H ASP A 34 -7.929 5.259 -8.785 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.656 4.695 -7.201 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.781 6.464 -6.119 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.064 6.756 -6.311 1.00 0.00 H new ATOM 488 N GLU A 35 -8.447 3.404 -6.279 1.00 0.00 N ATOM 489 CA GLU A 35 -9.080 2.478 -5.358 1.00 0.00 C ATOM 490 C GLU A 35 -8.625 1.044 -5.650 1.00 0.00 C ATOM 491 O GLU A 35 -8.091 0.359 -4.775 1.00 0.00 O ATOM 492 CB GLU A 35 -10.610 2.619 -5.473 1.00 0.00 C ATOM 493 CG GLU A 35 -11.427 1.586 -4.705 1.00 0.00 C ATOM 494 CD GLU A 35 -11.699 0.332 -5.514 1.00 0.00 C ATOM 495 OE1 GLU A 35 -11.941 0.447 -6.734 1.00 0.00 O ATOM 496 OE2 GLU A 35 -11.684 -0.771 -4.932 1.00 0.00 O ATOM 0 H GLU A 35 -8.954 3.531 -7.155 1.00 0.00 H new ATOM 0 HA GLU A 35 -8.785 2.712 -4.335 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -10.893 3.612 -5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.884 2.562 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -10.897 1.316 -3.792 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -12.375 2.031 -4.403 1.00 0.00 H new ATOM 503 N SER A 36 -8.807 0.615 -6.894 1.00 0.00 N ATOM 504 CA SER A 36 -8.536 -0.765 -7.285 1.00 0.00 C ATOM 505 C SER A 36 -7.038 -1.066 -7.311 1.00 0.00 C ATOM 506 O SER A 36 -6.575 -2.019 -6.676 1.00 0.00 O ATOM 507 CB SER A 36 -9.143 -1.034 -8.660 1.00 0.00 C ATOM 508 OG SER A 36 -10.500 -0.626 -8.703 1.00 0.00 O ATOM 0 H SER A 36 -9.143 1.207 -7.654 1.00 0.00 H new ATOM 0 HA SER A 36 -8.990 -1.420 -6.542 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.575 -0.502 -9.423 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.071 -2.097 -8.892 1.00 0.00 H new ATOM 0 HG SER A 36 -10.827 -0.481 -7.791 1.00 0.00 H new ATOM 514 N THR A 37 -6.286 -0.247 -8.033 1.00 0.00 N ATOM 515 CA THR A 37 -4.853 -0.439 -8.186 1.00 0.00 C ATOM 516 C THR A 37 -4.136 -0.328 -6.841 1.00 0.00 C ATOM 517 O THR A 37 -3.160 -1.038 -6.590 1.00 0.00 O ATOM 518 CB THR A 37 -4.272 0.582 -9.178 1.00 0.00 C ATOM 519 OG1 THR A 37 -4.976 0.493 -10.424 1.00 0.00 O ATOM 520 CG2 THR A 37 -2.797 0.330 -9.417 1.00 0.00 C ATOM 0 H THR A 37 -6.652 0.567 -8.527 1.00 0.00 H new ATOM 0 HA THR A 37 -4.693 -1.443 -8.579 1.00 0.00 H new ATOM 0 HB THR A 37 -4.389 1.578 -8.752 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.771 -0.363 -10.855 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.412 1.066 -10.122 1.00 0.00 H new ATOM 0 HG22 THR A 37 -2.256 0.413 -8.474 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.661 -0.671 -9.827 1.00 0.00 H new ATOM 528 N ALA A 38 -4.643 0.540 -5.967 1.00 0.00 N ATOM 529 CA ALA A 38 -4.073 0.687 -4.635 1.00 0.00 C ATOM 530 C ALA A 38 -4.184 -0.628 -3.868 1.00 0.00 C ATOM 531 O ALA A 38 -3.220 -1.094 -3.256 1.00 0.00 O ATOM 532 CB ALA A 38 -4.758 1.807 -3.868 1.00 0.00 C ATOM 0 H ALA A 38 -5.441 1.146 -6.158 1.00 0.00 H new ATOM 0 HA ALA A 38 -3.020 0.947 -4.741 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.313 1.895 -2.877 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -4.633 2.746 -4.407 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.820 1.584 -3.770 1.00 0.00 H new ATOM 538 N LYS A 39 -5.370 -1.234 -3.926 1.00 0.00 N ATOM 539 CA LYS A 39 -5.601 -2.541 -3.318 1.00 0.00 C ATOM 540 C LYS A 39 -4.744 -3.603 -3.999 1.00 0.00 C ATOM 541 O LYS A 39 -4.393 -4.623 -3.401 1.00 0.00 O ATOM 542 CB LYS A 39 -7.080 -2.922 -3.419 1.00 0.00 C ATOM 543 CG LYS A 39 -7.992 -2.048 -2.575 1.00 0.00 C ATOM 544 CD LYS A 39 -9.455 -2.326 -2.879 1.00 0.00 C ATOM 545 CE LYS A 39 -10.373 -1.500 -1.995 1.00 0.00 C ATOM 546 NZ LYS A 39 -11.784 -1.545 -2.462 1.00 0.00 N ATOM 0 H LYS A 39 -6.187 -0.838 -4.390 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.322 -2.484 -2.266 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.393 -2.859 -4.461 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.201 -3.961 -3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -7.797 -2.228 -1.518 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.772 -0.998 -2.765 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -9.659 -2.103 -3.926 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -9.663 -3.386 -2.732 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -10.318 -1.869 -0.971 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -10.029 -0.466 -1.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -12.348 -0.853 -1.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -11.822 -1.315 -3.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -12.170 -2.498 -2.309 1.00 0.00 H new ATOM 560 N GLY A 40 -4.426 -3.364 -5.264 1.00 0.00 N ATOM 561 CA GLY A 40 -3.539 -4.245 -5.988 1.00 0.00 C ATOM 562 C GLY A 40 -2.140 -4.236 -5.405 1.00 0.00 C ATOM 563 O GLY A 40 -1.615 -5.286 -5.032 1.00 0.00 O ATOM 0 H GLY A 40 -4.771 -2.569 -5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -3.936 -5.260 -5.965 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.499 -3.942 -7.034 1.00 0.00 H new ATOM 567 N ILE A 41 -1.555 -3.047 -5.302 1.00 0.00 N ATOM 568 CA ILE A 41 -0.225 -2.878 -4.726 1.00 0.00 C ATOM 569 C ILE A 41 -0.180 -3.430 -3.304 1.00 0.00 C ATOM 570 O ILE A 41 0.761 -4.127 -2.918 1.00 0.00 O ATOM 571 CB ILE A 41 0.182 -1.387 -4.705 1.00 0.00 C ATOM 572 CG1 ILE A 41 0.204 -0.815 -6.128 1.00 0.00 C ATOM 573 CG2 ILE A 41 1.538 -1.208 -4.037 1.00 0.00 C ATOM 574 CD1 ILE A 41 0.573 0.654 -6.195 1.00 0.00 C ATOM 0 H ILE A 41 -1.987 -2.177 -5.614 1.00 0.00 H new ATOM 0 HA ILE A 41 0.477 -3.431 -5.351 1.00 0.00 H new ATOM 0 HB ILE A 41 -0.560 -0.839 -4.124 1.00 0.00 H new ATOM 0 HG12 ILE A 41 0.914 -1.385 -6.727 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -0.778 -0.954 -6.580 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.805 -0.151 -4.033 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.489 -1.574 -3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.292 -1.771 -4.588 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.567 0.984 -7.234 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -0.150 1.237 -5.625 1.00 0.00 H new ATOM 0 HD13 ILE A 41 1.568 0.799 -5.775 1.00 0.00 H new ATOM 586 N LEU A 42 -1.221 -3.120 -2.541 1.00 0.00 N ATOM 587 CA LEU A 42 -1.324 -3.538 -1.148 1.00 0.00 C ATOM 588 C LEU A 42 -1.214 -5.059 -1.010 1.00 0.00 C ATOM 589 O LEU A 42 -0.454 -5.571 -0.184 1.00 0.00 O ATOM 590 CB LEU A 42 -2.657 -3.051 -0.573 1.00 0.00 C ATOM 591 CG LEU A 42 -2.804 -3.171 0.941 1.00 0.00 C ATOM 592 CD1 LEU A 42 -1.772 -2.308 1.648 1.00 0.00 C ATOM 593 CD2 LEU A 42 -4.209 -2.770 1.359 1.00 0.00 C ATOM 0 H LEU A 42 -2.017 -2.573 -2.870 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.497 -3.097 -0.592 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.792 -2.006 -0.852 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -3.463 -3.614 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 42 -2.634 -4.209 1.228 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.893 -2.407 2.727 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -0.771 -2.632 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -1.911 -1.266 1.361 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -4.306 -2.858 2.441 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -4.397 -1.739 1.061 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.933 -3.425 0.875 1.00 0.00 H new ATOM 605 N LYS A 43 -1.963 -5.780 -1.837 1.00 0.00 N ATOM 606 CA LYS A 43 -1.959 -7.238 -1.783 1.00 0.00 C ATOM 607 C LYS A 43 -0.664 -7.812 -2.343 1.00 0.00 C ATOM 608 O LYS A 43 -0.210 -8.866 -1.903 1.00 0.00 O ATOM 609 CB LYS A 43 -3.157 -7.820 -2.533 1.00 0.00 C ATOM 610 CG LYS A 43 -4.488 -7.586 -1.831 1.00 0.00 C ATOM 611 CD LYS A 43 -5.643 -8.271 -2.552 1.00 0.00 C ATOM 612 CE LYS A 43 -6.141 -7.471 -3.752 1.00 0.00 C ATOM 613 NZ LYS A 43 -5.093 -7.278 -4.790 1.00 0.00 N ATOM 0 H LYS A 43 -2.577 -5.383 -2.548 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.034 -7.521 -0.733 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.199 -7.381 -3.530 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -3.008 -8.892 -2.663 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -4.428 -7.957 -0.808 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.683 -6.515 -1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -5.324 -9.259 -2.885 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -6.466 -8.421 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.995 -7.983 -4.195 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.494 -6.497 -3.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.518 -6.849 -5.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.350 -6.651 -4.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.677 -8.198 -5.039 1.00 0.00 H new ATOM 627 N TYR A 44 -0.064 -7.112 -3.302 1.00 0.00 N ATOM 628 CA TYR A 44 1.205 -7.546 -3.871 1.00 0.00 C ATOM 629 C TYR A 44 2.287 -7.530 -2.797 1.00 0.00 C ATOM 630 O TYR A 44 3.136 -8.421 -2.740 1.00 0.00 O ATOM 631 CB TYR A 44 1.603 -6.658 -5.057 1.00 0.00 C ATOM 632 CG TYR A 44 2.886 -7.086 -5.734 1.00 0.00 C ATOM 633 CD1 TYR A 44 2.963 -8.298 -6.410 1.00 0.00 C ATOM 634 CD2 TYR A 44 4.022 -6.283 -5.691 1.00 0.00 C ATOM 635 CE1 TYR A 44 4.134 -8.698 -7.026 1.00 0.00 C ATOM 636 CE2 TYR A 44 5.196 -6.678 -6.307 1.00 0.00 C ATOM 637 CZ TYR A 44 5.246 -7.886 -6.971 1.00 0.00 C ATOM 638 OH TYR A 44 6.416 -8.283 -7.582 1.00 0.00 O ATOM 0 H TYR A 44 -0.434 -6.248 -3.698 1.00 0.00 H new ATOM 0 HA TYR A 44 1.092 -8.565 -4.241 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.796 -6.664 -5.790 1.00 0.00 H new ATOM 0 HB3 TYR A 44 1.711 -5.630 -4.710 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.094 -8.938 -6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 44 3.986 -5.338 -5.169 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.177 -9.643 -7.548 1.00 0.00 H new ATOM 0 HE2 TYR A 44 6.069 -6.044 -6.268 1.00 0.00 H new ATOM 0 HH TYR A 44 6.206 -8.845 -8.357 1.00 0.00 H new ATOM 648 N LEU A 45 2.234 -6.530 -1.928 1.00 0.00 N ATOM 649 CA LEU A 45 3.166 -6.439 -0.815 1.00 0.00 C ATOM 650 C LEU A 45 2.936 -7.590 0.164 1.00 0.00 C ATOM 651 O LEU A 45 3.888 -8.170 0.691 1.00 0.00 O ATOM 652 CB LEU A 45 3.020 -5.093 -0.102 1.00 0.00 C ATOM 653 CG LEU A 45 3.358 -3.870 -0.960 1.00 0.00 C ATOM 654 CD1 LEU A 45 3.151 -2.587 -0.172 1.00 0.00 C ATOM 655 CD2 LEU A 45 4.789 -3.955 -1.470 1.00 0.00 C ATOM 0 H LEU A 45 1.555 -5.770 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 45 4.181 -6.512 -1.206 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.995 -4.996 0.255 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.665 -5.092 0.777 1.00 0.00 H new ATOM 0 HG LEU A 45 2.685 -3.858 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.397 -1.731 -0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.110 -2.518 0.144 1.00 0.00 H new ATOM 0 HD13 LEU A 45 3.797 -2.591 0.706 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.011 -3.078 -2.078 1.00 0.00 H new ATOM 0 HD22 LEU A 45 5.475 -3.994 -0.624 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.907 -4.854 -2.074 1.00 0.00 H new ATOM 667 N HIS A 46 1.669 -7.933 0.381 1.00 0.00 N ATOM 668 CA HIS A 46 1.313 -9.073 1.221 1.00 0.00 C ATOM 669 C HIS A 46 1.883 -10.363 0.633 1.00 0.00 C ATOM 670 O HIS A 46 2.281 -11.267 1.363 1.00 0.00 O ATOM 671 CB HIS A 46 -0.214 -9.183 1.353 1.00 0.00 C ATOM 672 CG HIS A 46 -0.679 -10.290 2.258 1.00 0.00 C ATOM 673 ND1 HIS A 46 -1.311 -11.424 1.801 1.00 0.00 N ATOM 674 CD2 HIS A 46 -0.619 -10.417 3.604 1.00 0.00 C ATOM 675 CE1 HIS A 46 -1.620 -12.201 2.821 1.00 0.00 C ATOM 676 NE2 HIS A 46 -1.212 -11.614 3.928 1.00 0.00 N ATOM 0 H HIS A 46 0.870 -7.437 -0.014 1.00 0.00 H new ATOM 0 HA HIS A 46 1.740 -8.920 2.212 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -0.604 -8.236 1.727 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -0.643 -9.335 0.362 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.186 -9.709 4.295 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -2.122 -13.155 2.759 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.319 -11.987 4.871 1.00 0.00 H new ATOM 685 N ASP A 47 1.925 -10.432 -0.691 1.00 0.00 N ATOM 686 CA ASP A 47 2.439 -11.606 -1.391 1.00 0.00 C ATOM 687 C ASP A 47 3.970 -11.620 -1.381 1.00 0.00 C ATOM 688 O ASP A 47 4.591 -12.676 -1.488 1.00 0.00 O ATOM 689 CB ASP A 47 1.908 -11.627 -2.826 1.00 0.00 C ATOM 690 CG ASP A 47 2.213 -12.922 -3.553 1.00 0.00 C ATOM 691 OD1 ASP A 47 1.702 -13.981 -3.130 1.00 0.00 O ATOM 692 OD2 ASP A 47 2.936 -12.884 -4.568 1.00 0.00 O ATOM 0 H ASP A 47 1.607 -9.684 -1.307 1.00 0.00 H new ATOM 0 HA ASP A 47 2.094 -12.501 -0.873 1.00 0.00 H new ATOM 0 HB2 ASP A 47 0.829 -11.471 -2.810 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.342 -10.795 -3.380 1.00 0.00 H new ATOM 697 N LEU A 48 4.569 -10.439 -1.251 1.00 0.00 N ATOM 698 CA LEU A 48 6.022 -10.317 -1.129 1.00 0.00 C ATOM 699 C LEU A 48 6.473 -10.715 0.271 1.00 0.00 C ATOM 700 O LEU A 48 7.574 -11.236 0.466 1.00 0.00 O ATOM 701 CB LEU A 48 6.474 -8.883 -1.424 1.00 0.00 C ATOM 702 CG LEU A 48 6.256 -8.411 -2.864 1.00 0.00 C ATOM 703 CD1 LEU A 48 6.683 -6.961 -3.016 1.00 0.00 C ATOM 704 CD2 LEU A 48 7.025 -9.297 -3.836 1.00 0.00 C ATOM 0 H LEU A 48 4.070 -9.550 -1.227 1.00 0.00 H new ATOM 0 HA LEU A 48 6.478 -10.987 -1.858 1.00 0.00 H new ATOM 0 HB2 LEU A 48 5.943 -8.207 -0.753 1.00 0.00 H new ATOM 0 HB3 LEU A 48 7.535 -8.798 -1.188 1.00 0.00 H new ATOM 0 HG LEU A 48 5.194 -8.485 -3.096 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.522 -6.640 -4.045 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.094 -6.336 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 48 7.740 -6.865 -2.767 1.00 0.00 H new ATOM 0 HD21 LEU A 48 6.859 -8.948 -4.855 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.089 -9.252 -3.605 1.00 0.00 H new ATOM 0 HD23 LEU A 48 6.677 -10.326 -3.744 1.00 0.00 H new ATOM 716 N GLY A 49 5.619 -10.450 1.246 1.00 0.00 N ATOM 717 CA GLY A 49 5.921 -10.814 2.611 1.00 0.00 C ATOM 718 C GLY A 49 5.923 -9.620 3.536 1.00 0.00 C ATOM 719 O GLY A 49 5.817 -9.769 4.751 1.00 0.00 O ATOM 0 H GLY A 49 4.719 -9.988 1.115 1.00 0.00 H new ATOM 0 HA2 GLY A 49 5.188 -11.541 2.961 1.00 0.00 H new ATOM 0 HA3 GLY A 49 6.896 -11.301 2.648 1.00 0.00 H new ATOM 723 N VAL A 50 6.029 -8.426 2.965 1.00 0.00 N ATOM 724 CA VAL A 50 6.066 -7.209 3.761 1.00 0.00 C ATOM 725 C VAL A 50 4.945 -6.256 3.351 1.00 0.00 C ATOM 726 O VAL A 50 5.085 -5.488 2.399 1.00 0.00 O ATOM 727 CB VAL A 50 7.425 -6.484 3.636 1.00 0.00 C ATOM 728 CG1 VAL A 50 7.444 -5.222 4.486 1.00 0.00 C ATOM 729 CG2 VAL A 50 8.569 -7.409 4.028 1.00 0.00 C ATOM 0 H VAL A 50 6.091 -8.276 1.958 1.00 0.00 H new ATOM 0 HA VAL A 50 5.927 -7.506 4.800 1.00 0.00 H new ATOM 0 HB VAL A 50 7.559 -6.196 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 50 8.410 -4.728 4.383 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.654 -4.548 4.154 1.00 0.00 H new ATOM 0 HG13 VAL A 50 7.281 -5.485 5.531 1.00 0.00 H new ATOM 0 HG21 VAL A 50 9.516 -6.877 3.932 1.00 0.00 H new ATOM 0 HG22 VAL A 50 8.437 -7.733 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 50 8.574 -8.280 3.372 1.00 0.00 H new ATOM 739 N PRO A 51 3.798 -6.331 4.038 1.00 0.00 N ATOM 740 CA PRO A 51 2.701 -5.403 3.849 1.00 0.00 C ATOM 741 C PRO A 51 2.741 -4.260 4.863 1.00 0.00 C ATOM 742 O PRO A 51 3.357 -4.381 5.924 1.00 0.00 O ATOM 743 CB PRO A 51 1.481 -6.293 4.084 1.00 0.00 C ATOM 744 CG PRO A 51 1.944 -7.372 5.020 1.00 0.00 C ATOM 745 CD PRO A 51 3.458 -7.350 5.037 1.00 0.00 C ATOM 0 HA PRO A 51 2.717 -4.915 2.875 1.00 0.00 H new ATOM 0 HB2 PRO A 51 0.658 -5.724 4.517 1.00 0.00 H new ATOM 0 HB3 PRO A 51 1.118 -6.716 3.147 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.548 -7.205 6.022 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.580 -8.345 4.691 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.844 -7.090 6.023 1.00 0.00 H new ATOM 0 HD3 PRO A 51 3.876 -8.322 4.777 1.00 0.00 H new ATOM 753 N VAL A 52 2.095 -3.153 4.536 1.00 0.00 N ATOM 754 CA VAL A 52 2.036 -2.026 5.450 1.00 0.00 C ATOM 755 C VAL A 52 0.891 -2.201 6.444 1.00 0.00 C ATOM 756 O VAL A 52 -0.196 -2.655 6.085 1.00 0.00 O ATOM 757 CB VAL A 52 1.892 -0.678 4.705 1.00 0.00 C ATOM 758 CG1 VAL A 52 3.132 -0.394 3.873 1.00 0.00 C ATOM 759 CG2 VAL A 52 0.647 -0.665 3.827 1.00 0.00 C ATOM 0 H VAL A 52 1.608 -3.011 3.651 1.00 0.00 H new ATOM 0 HA VAL A 52 2.982 -2.003 5.992 1.00 0.00 H new ATOM 0 HB VAL A 52 1.785 0.109 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 52 3.013 0.558 3.356 1.00 0.00 H new ATOM 0 HG12 VAL A 52 4.004 -0.346 4.525 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.269 -1.190 3.141 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.572 0.295 3.316 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.714 -1.465 3.089 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -0.237 -0.816 4.447 1.00 0.00 H new ATOM 769 N SER A 53 1.154 -1.871 7.695 1.00 0.00 N ATOM 770 CA SER A 53 0.151 -1.972 8.739 1.00 0.00 C ATOM 771 C SER A 53 -0.744 -0.736 8.743 1.00 0.00 C ATOM 772 O SER A 53 -0.296 0.357 8.387 1.00 0.00 O ATOM 773 CB SER A 53 0.836 -2.141 10.095 1.00 0.00 C ATOM 774 OG SER A 53 1.717 -3.252 10.074 1.00 0.00 O ATOM 0 H SER A 53 2.060 -1.528 8.014 1.00 0.00 H new ATOM 0 HA SER A 53 -0.475 -2.843 8.546 1.00 0.00 H new ATOM 0 HB2 SER A 53 1.390 -1.236 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 53 0.085 -2.280 10.873 1.00 0.00 H new ATOM 0 HG SER A 53 2.148 -3.344 10.949 1.00 0.00 H new ATOM 780 N PRO A 54 -2.020 -0.899 9.141 1.00 0.00 N ATOM 781 CA PRO A 54 -2.993 0.201 9.204 1.00 0.00 C ATOM 782 C PRO A 54 -2.462 1.416 9.962 1.00 0.00 C ATOM 783 O PRO A 54 -2.642 2.557 9.532 1.00 0.00 O ATOM 784 CB PRO A 54 -4.171 -0.416 9.960 1.00 0.00 C ATOM 785 CG PRO A 54 -4.083 -1.873 9.674 1.00 0.00 C ATOM 786 CD PRO A 54 -2.618 -2.186 9.554 1.00 0.00 C ATOM 0 HA PRO A 54 -3.244 0.574 8.211 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.102 -0.218 11.030 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.120 -0.002 9.619 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.542 -2.455 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.612 -2.122 8.754 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.204 -2.535 10.500 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.434 -2.968 8.817 1.00 0.00 H new ATOM 794 N GLU A 55 -1.809 1.154 11.090 1.00 0.00 N ATOM 795 CA GLU A 55 -1.212 2.205 11.907 1.00 0.00 C ATOM 796 C GLU A 55 -0.237 3.040 11.089 1.00 0.00 C ATOM 797 O GLU A 55 -0.234 4.266 11.169 1.00 0.00 O ATOM 798 CB GLU A 55 -0.473 1.591 13.093 1.00 0.00 C ATOM 799 CG GLU A 55 0.004 2.614 14.106 1.00 0.00 C ATOM 800 CD GLU A 55 0.765 1.982 15.249 1.00 0.00 C ATOM 801 OE1 GLU A 55 0.158 1.202 16.013 1.00 0.00 O ATOM 802 OE2 GLU A 55 1.971 2.273 15.396 1.00 0.00 O ATOM 0 H GLU A 55 -1.679 0.213 11.462 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.015 2.849 12.266 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.131 0.878 13.591 1.00 0.00 H new ATOM 0 HB3 GLU A 55 0.385 1.029 12.724 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.642 3.344 13.608 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.854 3.158 14.501 1.00 0.00 H new ATOM 809 N VAL A 56 0.575 2.362 10.287 1.00 0.00 N ATOM 810 CA VAL A 56 1.583 3.025 9.475 1.00 0.00 C ATOM 811 C VAL A 56 0.917 3.917 8.436 1.00 0.00 C ATOM 812 O VAL A 56 1.406 5.002 8.129 1.00 0.00 O ATOM 813 CB VAL A 56 2.499 2.002 8.773 1.00 0.00 C ATOM 814 CG1 VAL A 56 3.639 2.705 8.053 1.00 0.00 C ATOM 815 CG2 VAL A 56 3.037 0.987 9.772 1.00 0.00 C ATOM 0 H VAL A 56 0.553 1.348 10.183 1.00 0.00 H new ATOM 0 HA VAL A 56 2.197 3.635 10.138 1.00 0.00 H new ATOM 0 HB VAL A 56 1.906 1.468 8.030 1.00 0.00 H new ATOM 0 HG11 VAL A 56 4.273 1.965 7.565 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.232 3.385 7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.230 3.270 8.773 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.681 0.275 9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 56 3.611 1.503 10.542 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.205 0.456 10.234 1.00 0.00 H new ATOM 825 N VAL A 57 -0.213 3.454 7.915 1.00 0.00 N ATOM 826 CA VAL A 57 -1.001 4.230 6.967 1.00 0.00 C ATOM 827 C VAL A 57 -1.506 5.515 7.620 1.00 0.00 C ATOM 828 O VAL A 57 -1.350 6.607 7.072 1.00 0.00 O ATOM 829 CB VAL A 57 -2.205 3.418 6.439 1.00 0.00 C ATOM 830 CG1 VAL A 57 -3.023 4.228 5.447 1.00 0.00 C ATOM 831 CG2 VAL A 57 -1.732 2.117 5.806 1.00 0.00 C ATOM 0 H VAL A 57 -0.606 2.539 8.135 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.352 4.477 6.127 1.00 0.00 H new ATOM 0 HB VAL A 57 -2.848 3.180 7.286 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.863 3.630 5.094 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.398 5.128 5.934 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.396 4.508 4.601 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -2.592 1.557 5.439 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.062 2.339 4.975 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.202 1.522 6.550 1.00 0.00 H new ATOM 841 N VAL A 58 -2.089 5.371 8.806 1.00 0.00 N ATOM 842 CA VAL A 58 -2.609 6.511 9.553 1.00 0.00 C ATOM 843 C VAL A 58 -1.478 7.461 9.949 1.00 0.00 C ATOM 844 O VAL A 58 -1.589 8.674 9.777 1.00 0.00 O ATOM 845 CB VAL A 58 -3.375 6.056 10.818 1.00 0.00 C ATOM 846 CG1 VAL A 58 -3.927 7.252 11.581 1.00 0.00 C ATOM 847 CG2 VAL A 58 -4.499 5.096 10.449 1.00 0.00 C ATOM 0 H VAL A 58 -2.213 4.472 9.272 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.305 7.037 8.899 1.00 0.00 H new ATOM 0 HB VAL A 58 -2.672 5.534 11.467 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.461 6.904 12.465 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -3.105 7.901 11.885 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.611 7.809 10.940 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.025 4.788 11.352 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.196 5.594 9.775 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.081 4.219 9.956 1.00 0.00 H new ATOM 857 N ALA A 59 -0.387 6.897 10.453 1.00 0.00 N ATOM 858 CA ALA A 59 0.773 7.686 10.854 1.00 0.00 C ATOM 859 C ALA A 59 1.343 8.449 9.665 1.00 0.00 C ATOM 860 O ALA A 59 1.727 9.616 9.783 1.00 0.00 O ATOM 861 CB ALA A 59 1.835 6.790 11.471 1.00 0.00 C ATOM 0 H ALA A 59 -0.281 5.892 10.594 1.00 0.00 H new ATOM 0 HA ALA A 59 0.453 8.411 11.602 1.00 0.00 H new ATOM 0 HB1 ALA A 59 2.694 7.393 11.765 1.00 0.00 H new ATOM 0 HB2 ALA A 59 1.425 6.291 12.349 1.00 0.00 H new ATOM 0 HB3 ALA A 59 2.149 6.043 10.742 1.00 0.00 H new ATOM 867 N ARG A 60 1.389 7.787 8.513 1.00 0.00 N ATOM 868 CA ARG A 60 1.862 8.419 7.291 1.00 0.00 C ATOM 869 C ARG A 60 0.923 9.543 6.877 1.00 0.00 C ATOM 870 O ARG A 60 1.371 10.640 6.544 1.00 0.00 O ATOM 871 CB ARG A 60 1.984 7.396 6.161 1.00 0.00 C ATOM 872 CG ARG A 60 2.448 7.991 4.843 1.00 0.00 C ATOM 873 CD ARG A 60 3.806 8.662 4.976 1.00 0.00 C ATOM 874 NE ARG A 60 4.289 9.171 3.697 1.00 0.00 N ATOM 875 CZ ARG A 60 5.575 9.264 3.374 1.00 0.00 C ATOM 876 NH1 ARG A 60 6.513 8.889 4.236 1.00 0.00 N ATOM 877 NH2 ARG A 60 5.919 9.735 2.190 1.00 0.00 N ATOM 0 H ARG A 60 1.104 6.814 8.402 1.00 0.00 H new ATOM 0 HA ARG A 60 2.849 8.837 7.487 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.683 6.616 6.463 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.017 6.916 6.012 1.00 0.00 H new ATOM 0 HG2 ARG A 60 2.502 7.206 4.088 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.715 8.719 4.494 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.737 9.482 5.690 1.00 0.00 H new ATOM 0 HD3 ARG A 60 4.526 7.949 5.378 1.00 0.00 H new ATOM 0 HE ARG A 60 3.599 9.474 3.010 1.00 0.00 H new ATOM 0 HH11 ARG A 60 6.248 8.527 5.152 1.00 0.00 H new ATOM 0 HH12 ARG A 60 7.498 8.963 3.982 1.00 0.00 H new ATOM 0 HH21 ARG A 60 5.199 10.026 1.528 1.00 0.00 H new ATOM 0 HH22 ARG A 60 6.904 9.809 1.937 1.00 0.00 H new ATOM 891 N GLY A 61 -0.375 9.266 6.908 1.00 0.00 N ATOM 892 CA GLY A 61 -1.360 10.273 6.574 1.00 0.00 C ATOM 893 C GLY A 61 -1.290 11.466 7.503 1.00 0.00 C ATOM 894 O GLY A 61 -1.358 12.610 7.063 1.00 0.00 O ATOM 0 H GLY A 61 -0.763 8.357 7.160 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -1.206 10.604 5.547 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.357 9.835 6.622 1.00 0.00 H new ATOM 898 N GLU A 62 -1.128 11.193 8.789 1.00 0.00 N ATOM 899 CA GLU A 62 -1.024 12.237 9.798 1.00 0.00 C ATOM 900 C GLU A 62 0.150 13.174 9.502 1.00 0.00 C ATOM 901 O GLU A 62 0.045 14.390 9.663 1.00 0.00 O ATOM 902 CB GLU A 62 -0.857 11.603 11.183 1.00 0.00 C ATOM 903 CG GLU A 62 -0.806 12.608 12.321 1.00 0.00 C ATOM 904 CD GLU A 62 -2.055 13.458 12.403 1.00 0.00 C ATOM 905 OE1 GLU A 62 -3.051 13.006 13.004 1.00 0.00 O ATOM 906 OE2 GLU A 62 -2.045 14.589 11.880 1.00 0.00 O ATOM 0 H GLU A 62 -1.065 10.246 9.162 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.940 12.828 9.778 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.683 10.914 11.358 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.059 11.012 11.193 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -0.669 12.078 13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.061 13.255 12.191 1.00 0.00 H new ATOM 913 N GLN A 63 1.258 12.602 9.057 1.00 0.00 N ATOM 914 CA GLN A 63 2.462 13.377 8.799 1.00 0.00 C ATOM 915 C GLN A 63 2.420 14.033 7.421 1.00 0.00 C ATOM 916 O GLN A 63 2.672 15.231 7.289 1.00 0.00 O ATOM 917 CB GLN A 63 3.705 12.479 8.939 1.00 0.00 C ATOM 918 CG GLN A 63 5.035 13.208 8.770 1.00 0.00 C ATOM 919 CD GLN A 63 5.461 13.362 7.318 1.00 0.00 C ATOM 920 OE1 GLN A 63 6.095 14.349 6.947 1.00 0.00 O ATOM 921 NE2 GLN A 63 5.138 12.378 6.492 1.00 0.00 N ATOM 0 H GLN A 63 1.349 11.604 8.867 1.00 0.00 H new ATOM 0 HA GLN A 63 2.518 14.176 9.538 1.00 0.00 H new ATOM 0 HB2 GLN A 63 3.687 12.006 9.921 1.00 0.00 H new ATOM 0 HB3 GLN A 63 3.646 11.681 8.199 1.00 0.00 H new ATOM 0 HG2 GLN A 63 4.960 14.196 9.225 1.00 0.00 H new ATOM 0 HG3 GLN A 63 5.809 12.665 9.312 1.00 0.00 H new ATOM 0 HE21 GLN A 63 4.611 11.575 6.836 1.00 0.00 H new ATOM 0 HE22 GLN A 63 5.416 12.423 5.512 1.00 0.00 H new ATOM 930 N GLU A 64 2.082 13.253 6.407 1.00 0.00 N ATOM 931 CA GLU A 64 2.206 13.704 5.027 1.00 0.00 C ATOM 932 C GLU A 64 1.004 14.553 4.605 1.00 0.00 C ATOM 933 O GLU A 64 1.104 15.385 3.706 1.00 0.00 O ATOM 934 CB GLU A 64 2.364 12.495 4.101 1.00 0.00 C ATOM 935 CG GLU A 64 3.174 12.791 2.849 1.00 0.00 C ATOM 936 CD GLU A 64 4.551 13.334 3.172 1.00 0.00 C ATOM 937 OE1 GLU A 64 5.369 12.593 3.755 1.00 0.00 O ATOM 938 OE2 GLU A 64 4.813 14.517 2.862 1.00 0.00 O ATOM 0 H GLU A 64 1.720 12.305 6.511 1.00 0.00 H new ATOM 0 HA GLU A 64 3.093 14.333 4.950 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.844 11.686 4.652 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.376 12.139 3.809 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.274 11.880 2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 64 2.637 13.512 2.233 1.00 0.00 H new ATOM 945 N GLY A 65 -0.131 14.334 5.253 1.00 0.00 N ATOM 946 CA GLY A 65 -1.317 15.114 4.969 1.00 0.00 C ATOM 947 C GLY A 65 -2.466 14.235 4.539 1.00 0.00 C ATOM 948 O GLY A 65 -3.369 13.952 5.330 1.00 0.00 O ATOM 0 H GLY A 65 -0.251 13.624 5.976 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -1.602 15.680 5.856 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -1.098 15.839 4.185 1.00 0.00 H new ATOM 952 N TRP A 66 -2.410 13.788 3.288 1.00 0.00 N ATOM 953 CA TRP A 66 -3.405 12.871 2.727 1.00 0.00 C ATOM 954 C TRP A 66 -4.833 13.417 2.888 1.00 0.00 C ATOM 955 O TRP A 66 -5.030 14.621 3.071 1.00 0.00 O ATOM 956 CB TRP A 66 -3.271 11.494 3.398 1.00 0.00 C ATOM 957 CG TRP A 66 -2.012 10.753 3.033 1.00 0.00 C ATOM 958 CD1 TRP A 66 -0.841 11.285 2.570 1.00 0.00 C ATOM 959 CD2 TRP A 66 -1.802 9.335 3.109 1.00 0.00 C ATOM 960 NE1 TRP A 66 0.076 10.287 2.340 1.00 0.00 N ATOM 961 CE2 TRP A 66 -0.492 9.082 2.661 1.00 0.00 C ATOM 962 CE3 TRP A 66 -2.597 8.256 3.500 1.00 0.00 C ATOM 963 CZ2 TRP A 66 0.039 7.795 2.601 1.00 0.00 C ATOM 964 CZ3 TRP A 66 -2.069 6.982 3.442 1.00 0.00 C ATOM 965 CH2 TRP A 66 -0.763 6.759 2.992 1.00 0.00 C ATOM 0 H TRP A 66 -1.674 14.050 2.632 1.00 0.00 H new ATOM 0 HA TRP A 66 -3.217 12.772 1.658 1.00 0.00 H new ATOM 0 HB2 TRP A 66 -3.303 11.624 4.480 1.00 0.00 H new ATOM 0 HB3 TRP A 66 -4.132 10.883 3.125 1.00 0.00 H new ATOM 0 HD1 TRP A 66 -0.662 12.338 2.408 1.00 0.00 H new ATOM 0 HE1 TRP A 66 1.024 10.421 1.988 1.00 0.00 H new ATOM 0 HE3 TRP A 66 -3.609 8.416 3.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 66 1.048 7.622 2.258 1.00 0.00 H new ATOM 0 HZ3 TRP A 66 -2.675 6.142 3.749 1.00 0.00 H new ATOM 0 HH2 TRP A 66 -0.381 5.749 2.953 1.00 0.00 H new ATOM 976 N ASN A 67 -5.822 12.535 2.777 1.00 0.00 N ATOM 977 CA ASN A 67 -7.215 12.891 3.032 1.00 0.00 C ATOM 978 C ASN A 67 -7.790 11.966 4.091 1.00 0.00 C ATOM 979 O ASN A 67 -7.503 10.772 4.082 1.00 0.00 O ATOM 980 CB ASN A 67 -8.060 12.799 1.756 1.00 0.00 C ATOM 981 CG ASN A 67 -7.931 14.020 0.869 1.00 0.00 C ATOM 982 OD1 ASN A 67 -8.656 15.000 1.040 1.00 0.00 O ATOM 983 ND2 ASN A 67 -7.037 13.962 -0.102 1.00 0.00 N ATOM 0 H ASN A 67 -5.683 11.560 2.510 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.243 13.923 3.382 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -7.762 11.915 1.193 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.107 12.665 2.029 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -6.929 14.748 -0.743 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -6.455 13.131 -0.210 1.00 0.00 H new ATOM 990 N PRO A 68 -8.607 12.499 5.016 1.00 0.00 N ATOM 991 CA PRO A 68 -9.199 11.712 6.106 1.00 0.00 C ATOM 992 C PRO A 68 -9.939 10.468 5.605 1.00 0.00 C ATOM 993 O PRO A 68 -9.810 9.386 6.183 1.00 0.00 O ATOM 994 CB PRO A 68 -10.173 12.689 6.785 1.00 0.00 C ATOM 995 CG PRO A 68 -10.294 13.855 5.860 1.00 0.00 C ATOM 996 CD PRO A 68 -9.013 13.910 5.082 1.00 0.00 C ATOM 0 HA PRO A 68 -8.433 11.327 6.779 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -11.143 12.221 6.952 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -9.797 13.001 7.760 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -11.149 13.736 5.194 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -10.450 14.779 6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -9.162 14.334 4.089 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -8.263 14.523 5.582 1.00 0.00 H new ATOM 1004 N GLU A 69 -10.687 10.620 4.514 1.00 0.00 N ATOM 1005 CA GLU A 69 -11.441 9.513 3.938 1.00 0.00 C ATOM 1006 C GLU A 69 -10.482 8.469 3.387 1.00 0.00 C ATOM 1007 O GLU A 69 -10.680 7.265 3.545 1.00 0.00 O ATOM 1008 CB GLU A 69 -12.354 10.006 2.806 1.00 0.00 C ATOM 1009 CG GLU A 69 -13.412 11.014 3.236 1.00 0.00 C ATOM 1010 CD GLU A 69 -12.818 12.327 3.693 1.00 0.00 C ATOM 1011 OE1 GLU A 69 -11.864 12.812 3.047 1.00 0.00 O ATOM 1012 OE2 GLU A 69 -13.300 12.879 4.704 1.00 0.00 O ATOM 0 H GLU A 69 -10.786 11.502 4.011 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.057 9.074 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -11.736 10.457 2.029 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.852 9.146 2.358 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -14.092 11.198 2.404 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.006 10.588 4.045 1.00 0.00 H new ATOM 1019 N PHE A 70 -9.429 8.961 2.757 1.00 0.00 N ATOM 1020 CA PHE A 70 -8.433 8.122 2.114 1.00 0.00 C ATOM 1021 C PHE A 70 -7.605 7.353 3.141 1.00 0.00 C ATOM 1022 O PHE A 70 -7.497 6.130 3.070 1.00 0.00 O ATOM 1023 CB PHE A 70 -7.536 9.003 1.246 1.00 0.00 C ATOM 1024 CG PHE A 70 -6.322 8.314 0.706 1.00 0.00 C ATOM 1025 CD1 PHE A 70 -6.438 7.198 -0.102 1.00 0.00 C ATOM 1026 CD2 PHE A 70 -5.061 8.787 1.015 1.00 0.00 C ATOM 1027 CE1 PHE A 70 -5.316 6.569 -0.594 1.00 0.00 C ATOM 1028 CE2 PHE A 70 -3.938 8.161 0.527 1.00 0.00 C ATOM 1029 CZ PHE A 70 -4.065 7.050 -0.275 1.00 0.00 C ATOM 0 H PHE A 70 -9.240 9.960 2.677 1.00 0.00 H new ATOM 0 HA PHE A 70 -8.937 7.382 1.492 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -8.123 9.385 0.411 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -7.218 9.865 1.833 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -7.417 6.816 -0.350 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -4.956 9.657 1.646 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -5.417 5.701 -1.228 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -2.957 8.541 0.773 1.00 0.00 H new ATOM 0 HZ PHE A 70 -3.183 6.555 -0.655 1.00 0.00 H new ATOM 1039 N THR A 71 -7.038 8.079 4.096 1.00 0.00 N ATOM 1040 CA THR A 71 -6.166 7.490 5.101 1.00 0.00 C ATOM 1041 C THR A 71 -6.885 6.395 5.892 1.00 0.00 C ATOM 1042 O THR A 71 -6.329 5.320 6.127 1.00 0.00 O ATOM 1043 CB THR A 71 -5.654 8.569 6.071 1.00 0.00 C ATOM 1044 OG1 THR A 71 -5.114 9.665 5.326 1.00 0.00 O ATOM 1045 CG2 THR A 71 -4.586 8.014 6.999 1.00 0.00 C ATOM 0 H THR A 71 -7.169 9.086 4.195 1.00 0.00 H new ATOM 0 HA THR A 71 -5.321 7.042 4.577 1.00 0.00 H new ATOM 0 HB THR A 71 -6.494 8.907 6.678 1.00 0.00 H new ATOM 0 HG1 THR A 71 -5.846 10.201 4.956 1.00 0.00 H new ATOM 0 HG21 THR A 71 -4.244 8.800 7.672 1.00 0.00 H new ATOM 0 HG22 THR A 71 -5.002 7.192 7.582 1.00 0.00 H new ATOM 0 HG23 THR A 71 -3.745 7.651 6.409 1.00 0.00 H new ATOM 1053 N LYS A 72 -8.126 6.664 6.282 1.00 0.00 N ATOM 1054 CA LYS A 72 -8.882 5.714 7.086 1.00 0.00 C ATOM 1055 C LYS A 72 -9.308 4.512 6.245 1.00 0.00 C ATOM 1056 O LYS A 72 -9.364 3.385 6.747 1.00 0.00 O ATOM 1057 CB LYS A 72 -10.105 6.387 7.717 1.00 0.00 C ATOM 1058 CG LYS A 72 -10.760 5.548 8.801 1.00 0.00 C ATOM 1059 CD LYS A 72 -11.886 6.298 9.486 1.00 0.00 C ATOM 1060 CE LYS A 72 -12.412 5.517 10.679 1.00 0.00 C ATOM 1061 NZ LYS A 72 -13.483 6.249 11.400 1.00 0.00 N ATOM 0 H LYS A 72 -8.625 7.524 6.056 1.00 0.00 H new ATOM 0 HA LYS A 72 -8.234 5.360 7.888 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -9.805 7.346 8.140 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -10.838 6.598 6.938 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.148 4.628 8.364 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.012 5.260 9.540 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.531 7.275 9.814 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -12.695 6.475 8.777 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.796 4.555 10.340 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -11.591 5.309 11.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.811 5.679 12.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.111 7.156 11.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.278 6.426 10.754 1.00 0.00 H new ATOM 1075 N LYS A 73 -9.603 4.754 4.973 1.00 0.00 N ATOM 1076 CA LYS A 73 -9.965 3.682 4.057 1.00 0.00 C ATOM 1077 C LYS A 73 -8.820 2.690 3.906 1.00 0.00 C ATOM 1078 O LYS A 73 -8.981 1.505 4.180 1.00 0.00 O ATOM 1079 CB LYS A 73 -10.335 4.246 2.685 1.00 0.00 C ATOM 1080 CG LYS A 73 -11.756 3.931 2.250 1.00 0.00 C ATOM 1081 CD LYS A 73 -12.775 4.505 3.219 1.00 0.00 C ATOM 1082 CE LYS A 73 -14.198 4.310 2.720 1.00 0.00 C ATOM 1083 NZ LYS A 73 -14.482 5.120 1.503 1.00 0.00 N ATOM 0 H LYS A 73 -9.598 5.684 4.554 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.829 3.165 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.202 5.328 2.700 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -9.642 3.850 1.942 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.931 4.337 1.254 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.886 2.851 2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.662 4.027 4.192 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -12.582 5.568 3.362 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -14.363 3.255 2.499 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -14.899 4.584 3.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -15.507 5.132 1.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -14.144 6.093 1.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -13.994 4.701 0.686 1.00 0.00 H new ATOM 1097 N VAL A 74 -7.659 3.188 3.497 1.00 0.00 N ATOM 1098 CA VAL A 74 -6.506 2.330 3.244 1.00 0.00 C ATOM 1099 C VAL A 74 -6.088 1.587 4.508 1.00 0.00 C ATOM 1100 O VAL A 74 -5.665 0.432 4.445 1.00 0.00 O ATOM 1101 CB VAL A 74 -5.306 3.135 2.701 1.00 0.00 C ATOM 1102 CG1 VAL A 74 -4.124 2.225 2.400 1.00 0.00 C ATOM 1103 CG2 VAL A 74 -5.706 3.911 1.459 1.00 0.00 C ATOM 0 H VAL A 74 -7.490 4.181 3.333 1.00 0.00 H new ATOM 0 HA VAL A 74 -6.810 1.607 2.487 1.00 0.00 H new ATOM 0 HB VAL A 74 -4.999 3.841 3.472 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -3.294 2.820 2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -3.816 1.715 3.313 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.414 1.487 1.652 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.848 4.473 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.044 3.217 0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.513 4.601 1.705 1.00 0.00 H new ATOM 1113 N ALA A 75 -6.220 2.246 5.656 1.00 0.00 N ATOM 1114 CA ALA A 75 -5.923 1.615 6.936 1.00 0.00 C ATOM 1115 C ALA A 75 -6.786 0.372 7.136 1.00 0.00 C ATOM 1116 O ALA A 75 -6.305 -0.670 7.582 1.00 0.00 O ATOM 1117 CB ALA A 75 -6.137 2.604 8.072 1.00 0.00 C ATOM 0 H ALA A 75 -6.530 3.215 5.725 1.00 0.00 H new ATOM 0 HA ALA A 75 -4.878 1.306 6.936 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -5.912 2.120 9.023 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.479 3.462 7.936 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -7.174 2.939 8.072 1.00 0.00 H new ATOM 1123 N GLY A 76 -8.058 0.483 6.779 1.00 0.00 N ATOM 1124 CA GLY A 76 -8.960 -0.642 6.887 1.00 0.00 C ATOM 1125 C GLY A 76 -8.665 -1.711 5.851 1.00 0.00 C ATOM 1126 O GLY A 76 -8.759 -2.905 6.143 1.00 0.00 O ATOM 0 H GLY A 76 -8.481 1.337 6.415 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -8.883 -1.074 7.885 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -9.987 -0.296 6.768 1.00 0.00 H new ATOM 1130 N TRP A 77 -8.302 -1.284 4.643 1.00 0.00 N ATOM 1131 CA TRP A 77 -7.940 -2.218 3.581 1.00 0.00 C ATOM 1132 C TRP A 77 -6.728 -3.033 4.004 1.00 0.00 C ATOM 1133 O TRP A 77 -6.729 -4.262 3.914 1.00 0.00 O ATOM 1134 CB TRP A 77 -7.624 -1.488 2.266 1.00 0.00 C ATOM 1135 CG TRP A 77 -8.718 -0.587 1.776 1.00 0.00 C ATOM 1136 CD1 TRP A 77 -10.024 -0.568 2.181 1.00 0.00 C ATOM 1137 CD2 TRP A 77 -8.599 0.426 0.770 1.00 0.00 C ATOM 1138 NE1 TRP A 77 -10.709 0.413 1.512 1.00 0.00 N ATOM 1139 CE2 TRP A 77 -9.861 1.032 0.636 1.00 0.00 C ATOM 1140 CE3 TRP A 77 -7.543 0.886 -0.022 1.00 0.00 C ATOM 1141 CZ2 TRP A 77 -10.098 2.068 -0.259 1.00 0.00 C ATOM 1142 CZ3 TRP A 77 -7.780 1.914 -0.913 1.00 0.00 C ATOM 1143 CH2 TRP A 77 -9.049 2.499 -1.023 1.00 0.00 C ATOM 0 H TRP A 77 -8.251 -0.301 4.377 1.00 0.00 H new ATOM 0 HA TRP A 77 -8.794 -2.873 3.411 1.00 0.00 H new ATOM 0 HB2 TRP A 77 -6.718 -0.898 2.402 1.00 0.00 H new ATOM 0 HB3 TRP A 77 -7.409 -2.229 1.496 1.00 0.00 H new ATOM 0 HD1 TRP A 77 -10.453 -1.229 2.920 1.00 0.00 H new ATOM 0 HE1 TRP A 77 -11.693 0.644 1.646 1.00 0.00 H new ATOM 0 HE3 TRP A 77 -6.560 0.446 0.061 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 -11.076 2.517 -0.348 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 -6.974 2.273 -1.536 1.00 0.00 H new ATOM 0 HH2 TRP A 77 -9.201 3.306 -1.725 1.00 0.00 H new ATOM 1154 N ALA A 78 -5.703 -2.332 4.482 1.00 0.00 N ATOM 1155 CA ALA A 78 -4.468 -2.966 4.930 1.00 0.00 C ATOM 1156 C ALA A 78 -4.741 -3.952 6.053 1.00 0.00 C ATOM 1157 O ALA A 78 -4.140 -5.025 6.109 1.00 0.00 O ATOM 1158 CB ALA A 78 -3.467 -1.913 5.380 1.00 0.00 C ATOM 0 H ALA A 78 -5.705 -1.316 4.569 1.00 0.00 H new ATOM 0 HA ALA A 78 -4.044 -3.517 4.091 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -2.550 -2.401 5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.242 -1.245 4.548 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.890 -1.337 6.203 1.00 0.00 H new ATOM 1164 N GLU A 79 -5.665 -3.589 6.934 1.00 0.00 N ATOM 1165 CA GLU A 79 -6.070 -4.459 8.028 1.00 0.00 C ATOM 1166 C GLU A 79 -6.612 -5.781 7.498 1.00 0.00 C ATOM 1167 O GLU A 79 -6.197 -6.856 7.933 1.00 0.00 O ATOM 1168 CB GLU A 79 -7.134 -3.771 8.890 1.00 0.00 C ATOM 1169 CG GLU A 79 -7.736 -4.684 9.944 1.00 0.00 C ATOM 1170 CD GLU A 79 -8.731 -3.981 10.835 1.00 0.00 C ATOM 1171 OE1 GLU A 79 -9.841 -3.659 10.365 1.00 0.00 O ATOM 1172 OE2 GLU A 79 -8.412 -3.766 12.022 1.00 0.00 O ATOM 0 H GLU A 79 -6.150 -2.692 6.910 1.00 0.00 H new ATOM 0 HA GLU A 79 -5.191 -4.663 8.640 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.690 -2.905 9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -7.930 -3.399 8.245 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -8.227 -5.523 9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.936 -5.098 10.558 1.00 0.00 H new ATOM 1179 N LYS A 80 -7.530 -5.693 6.548 1.00 0.00 N ATOM 1180 CA LYS A 80 -8.194 -6.869 6.008 1.00 0.00 C ATOM 1181 C LYS A 80 -7.233 -7.707 5.173 1.00 0.00 C ATOM 1182 O LYS A 80 -7.275 -8.934 5.212 1.00 0.00 O ATOM 1183 CB LYS A 80 -9.409 -6.441 5.187 1.00 0.00 C ATOM 1184 CG LYS A 80 -10.390 -5.619 6.003 1.00 0.00 C ATOM 1185 CD LYS A 80 -11.516 -5.047 5.160 1.00 0.00 C ATOM 1186 CE LYS A 80 -12.376 -4.105 5.987 1.00 0.00 C ATOM 1187 NZ LYS A 80 -13.515 -3.551 5.213 1.00 0.00 N ATOM 0 H LYS A 80 -7.834 -4.812 6.133 1.00 0.00 H new ATOM 0 HA LYS A 80 -8.532 -7.493 6.835 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -9.078 -5.860 4.327 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -9.913 -7.326 4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -10.812 -6.242 6.792 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -9.857 -4.804 6.492 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.102 -4.514 4.304 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -12.130 -5.857 4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.757 -4.637 6.859 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -11.760 -3.286 6.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.071 -2.915 5.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.153 -3.020 4.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -14.120 -4.329 4.881 1.00 0.00 H new ATOM 1201 N VAL A 81 -6.351 -7.041 4.439 1.00 0.00 N ATOM 1202 CA VAL A 81 -5.341 -7.736 3.647 1.00 0.00 C ATOM 1203 C VAL A 81 -4.334 -8.440 4.554 1.00 0.00 C ATOM 1204 O VAL A 81 -3.898 -9.557 4.267 1.00 0.00 O ATOM 1205 CB VAL A 81 -4.599 -6.765 2.697 1.00 0.00 C ATOM 1206 CG1 VAL A 81 -3.466 -7.470 1.962 1.00 0.00 C ATOM 1207 CG2 VAL A 81 -5.572 -6.153 1.704 1.00 0.00 C ATOM 0 H VAL A 81 -6.313 -6.024 4.375 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.858 -8.480 3.042 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.163 -5.970 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.964 -6.762 1.303 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -2.751 -7.862 2.686 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.871 -8.292 1.371 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -5.036 -5.472 1.042 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.035 -6.944 1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -6.344 -5.603 2.243 1.00 0.00 H new ATOM 1217 N ALA A 82 -3.978 -7.792 5.657 1.00 0.00 N ATOM 1218 CA ALA A 82 -3.037 -8.366 6.611 1.00 0.00 C ATOM 1219 C ALA A 82 -3.666 -9.527 7.370 1.00 0.00 C ATOM 1220 O ALA A 82 -2.977 -10.466 7.765 1.00 0.00 O ATOM 1221 CB ALA A 82 -2.547 -7.307 7.585 1.00 0.00 C ATOM 0 H ALA A 82 -4.327 -6.868 5.913 1.00 0.00 H new ATOM 0 HA ALA A 82 -2.184 -8.746 6.049 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -1.846 -7.756 8.288 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.048 -6.509 7.035 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -3.395 -6.895 8.132 1.00 0.00 H new ATOM 1227 N SER A 83 -4.978 -9.467 7.561 1.00 0.00 N ATOM 1228 CA SER A 83 -5.687 -10.501 8.303 1.00 0.00 C ATOM 1229 C SER A 83 -6.119 -11.645 7.385 1.00 0.00 C ATOM 1230 O SER A 83 -6.487 -12.725 7.853 1.00 0.00 O ATOM 1231 CB SER A 83 -6.897 -9.890 9.008 1.00 0.00 C ATOM 1232 OG SER A 83 -6.513 -8.766 9.788 1.00 0.00 O ATOM 0 H SER A 83 -5.572 -8.714 7.213 1.00 0.00 H new ATOM 0 HA SER A 83 -5.010 -10.917 9.049 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.640 -9.589 8.269 1.00 0.00 H new ATOM 0 HB3 SER A 83 -7.367 -10.638 9.647 1.00 0.00 H new ATOM 0 HG SER A 83 -6.613 -7.949 9.256 1.00 0.00 H new ATOM 1238 N GLY A 84 -6.072 -11.407 6.078 1.00 0.00 N ATOM 1239 CA GLY A 84 -6.393 -12.448 5.119 1.00 0.00 C ATOM 1240 C GLY A 84 -7.871 -12.504 4.783 1.00 0.00 C ATOM 1241 O GLY A 84 -8.412 -13.576 4.503 1.00 0.00 O ATOM 0 H GLY A 84 -5.817 -10.510 5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -5.824 -12.281 4.205 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -6.079 -13.412 5.518 1.00 0.00 H new ATOM 1245 N ASN A 85 -8.527 -11.355 4.811 1.00 0.00 N ATOM 1246 CA ASN A 85 -9.940 -11.275 4.469 1.00 0.00 C ATOM 1247 C ASN A 85 -10.096 -10.833 3.024 1.00 0.00 C ATOM 1248 O ASN A 85 -9.118 -10.737 2.285 1.00 0.00 O ATOM 1249 CB ASN A 85 -10.680 -10.282 5.368 1.00 0.00 C ATOM 1250 CG ASN A 85 -10.494 -10.560 6.846 1.00 0.00 C ATOM 1251 OD1 ASN A 85 -9.566 -10.054 7.471 1.00 0.00 O ATOM 1252 ND2 ASN A 85 -11.384 -11.354 7.417 1.00 0.00 N ATOM 0 H ASN A 85 -8.104 -10.463 5.067 1.00 0.00 H new ATOM 0 HA ASN A 85 -10.370 -12.266 4.613 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -10.331 -9.273 5.148 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -11.744 -10.310 5.131 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -11.314 -11.566 8.412 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -12.140 -11.754 6.862 1.00 0.00 H new ATOM 1259 N ARG A 86 -11.327 -10.553 2.629 1.00 0.00 N ATOM 1260 CA ARG A 86 -11.597 -10.090 1.282 1.00 0.00 C ATOM 1261 C ARG A 86 -11.988 -8.624 1.282 1.00 0.00 C ATOM 1262 O ARG A 86 -12.791 -8.177 2.104 1.00 0.00 O ATOM 1263 CB ARG A 86 -12.705 -10.918 0.644 1.00 0.00 C ATOM 1264 CG ARG A 86 -12.364 -12.389 0.534 1.00 0.00 C ATOM 1265 CD ARG A 86 -13.501 -13.164 -0.106 1.00 0.00 C ATOM 1266 NE ARG A 86 -13.183 -14.580 -0.290 1.00 0.00 N ATOM 1267 CZ ARG A 86 -13.961 -15.575 0.131 1.00 0.00 C ATOM 1268 NH1 ARG A 86 -15.084 -15.312 0.790 1.00 0.00 N ATOM 1269 NH2 ARG A 86 -13.621 -16.834 -0.104 1.00 0.00 N ATOM 0 H ARG A 86 -12.152 -10.639 3.222 1.00 0.00 H new ATOM 0 HA ARG A 86 -10.684 -10.208 0.699 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -13.617 -10.806 1.231 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -12.916 -10.525 -0.351 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -11.457 -12.512 -0.057 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -12.156 -12.793 1.525 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.392 -13.073 0.515 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -13.739 -12.720 -1.073 1.00 0.00 H new ATOM 0 HE ARG A 86 -12.315 -14.819 -0.769 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -15.352 -14.345 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.678 -16.077 1.111 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -12.760 -17.044 -0.609 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -14.220 -17.593 0.220 1.00 0.00 H new ATOM 1283 N ILE A 87 -11.416 -7.886 0.354 1.00 0.00 N ATOM 1284 CA ILE A 87 -11.740 -6.483 0.187 1.00 0.00 C ATOM 1285 C ILE A 87 -12.535 -6.287 -1.093 1.00 0.00 C ATOM 1286 O ILE A 87 -12.078 -6.629 -2.183 1.00 0.00 O ATOM 1287 CB ILE A 87 -10.479 -5.593 0.172 1.00 0.00 C ATOM 1288 CG1 ILE A 87 -9.468 -6.118 -0.850 1.00 0.00 C ATOM 1289 CG2 ILE A 87 -9.862 -5.530 1.564 1.00 0.00 C ATOM 1290 CD1 ILE A 87 -8.139 -5.392 -0.827 1.00 0.00 C ATOM 0 H ILE A 87 -10.718 -8.237 -0.302 1.00 0.00 H new ATOM 0 HA ILE A 87 -12.341 -6.178 1.044 1.00 0.00 H new ATOM 0 HB ILE A 87 -10.765 -4.583 -0.122 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -9.295 -7.178 -0.664 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -9.899 -6.036 -1.848 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -8.973 -4.899 1.540 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -10.585 -5.111 2.264 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -9.585 -6.534 1.885 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -7.477 -5.821 -1.579 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -8.298 -4.336 -1.044 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -7.685 -5.496 0.158 1.00 0.00 H new ATOM 1302 N LEU A 88 -13.742 -5.776 -0.939 1.00 0.00 N ATOM 1303 CA LEU A 88 -14.640 -5.560 -2.064 1.00 0.00 C ATOM 1304 C LEU A 88 -13.999 -4.608 -3.070 1.00 0.00 C ATOM 1305 O LEU A 88 -13.616 -3.487 -2.728 1.00 0.00 O ATOM 1306 CB LEU A 88 -15.986 -5.012 -1.566 1.00 0.00 C ATOM 1307 CG LEU A 88 -17.164 -5.117 -2.550 1.00 0.00 C ATOM 1308 CD1 LEU A 88 -18.485 -5.010 -1.804 1.00 0.00 C ATOM 1309 CD2 LEU A 88 -17.088 -4.035 -3.620 1.00 0.00 C ATOM 0 H LEU A 88 -14.129 -5.499 -0.037 1.00 0.00 H new ATOM 0 HA LEU A 88 -14.824 -6.511 -2.564 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -16.255 -5.541 -0.651 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -15.853 -3.963 -1.301 1.00 0.00 H new ATOM 0 HG LEU A 88 -17.103 -6.089 -3.040 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -19.310 -5.086 -2.512 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -18.557 -5.817 -1.075 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -18.536 -4.050 -1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -17.934 -4.136 -4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -17.117 -3.053 -3.147 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -16.158 -4.141 -4.179 1.00 0.00 H new ATOM 1321 N ILE A 89 -13.868 -5.077 -4.299 1.00 0.00 N ATOM 1322 CA ILE A 89 -13.288 -4.286 -5.369 1.00 0.00 C ATOM 1323 C ILE A 89 -14.212 -4.322 -6.583 1.00 0.00 C ATOM 1324 O ILE A 89 -14.734 -5.375 -6.943 1.00 0.00 O ATOM 1325 CB ILE A 89 -11.868 -4.793 -5.732 1.00 0.00 C ATOM 1326 CG1 ILE A 89 -11.227 -3.911 -6.807 1.00 0.00 C ATOM 1327 CG2 ILE A 89 -11.908 -6.252 -6.178 1.00 0.00 C ATOM 1328 CD1 ILE A 89 -9.788 -4.281 -7.104 1.00 0.00 C ATOM 0 H ILE A 89 -14.159 -6.013 -4.582 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.185 -3.254 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.251 -4.730 -4.836 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -11.811 -3.985 -7.724 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -11.269 -2.870 -6.486 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.900 -6.584 -6.427 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -12.304 -6.868 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -12.548 -6.347 -7.055 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -9.393 -3.618 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -9.192 -4.180 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -9.742 -5.312 -7.455 1.00 0.00 H new ATOM 1340 N LYS A 90 -14.428 -3.168 -7.196 1.00 0.00 N ATOM 1341 CA LYS A 90 -15.427 -3.034 -8.252 1.00 0.00 C ATOM 1342 C LYS A 90 -14.952 -3.634 -9.578 1.00 0.00 C ATOM 1343 O LYS A 90 -15.753 -3.881 -10.476 1.00 0.00 O ATOM 1344 CB LYS A 90 -15.793 -1.561 -8.430 1.00 0.00 C ATOM 1345 CG LYS A 90 -14.618 -0.681 -8.805 1.00 0.00 C ATOM 1346 CD LYS A 90 -14.937 0.790 -8.617 1.00 0.00 C ATOM 1347 CE LYS A 90 -13.956 1.674 -9.369 1.00 0.00 C ATOM 1348 NZ LYS A 90 -12.551 1.239 -9.170 1.00 0.00 N ATOM 0 H LYS A 90 -13.925 -2.307 -6.981 1.00 0.00 H new ATOM 0 HA LYS A 90 -16.310 -3.596 -7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -16.559 -1.477 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -16.232 -1.190 -7.503 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.755 -0.947 -8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -14.343 -0.864 -9.844 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -15.950 0.991 -8.965 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -14.910 1.036 -7.556 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -14.194 1.657 -10.433 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.067 2.705 -9.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.916 2.055 -9.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -12.442 0.844 -8.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.309 0.513 -9.874 1.00 0.00 H new ATOM 1362 N ASN A 91 -13.651 -3.860 -9.695 1.00 0.00 N ATOM 1363 CA ASN A 91 -13.077 -4.472 -10.889 1.00 0.00 C ATOM 1364 C ASN A 91 -11.772 -5.186 -10.546 1.00 0.00 C ATOM 1365 O ASN A 91 -10.797 -4.558 -10.143 1.00 0.00 O ATOM 1366 CB ASN A 91 -12.853 -3.433 -12.000 1.00 0.00 C ATOM 1367 CG ASN A 91 -12.390 -2.091 -11.477 1.00 0.00 C ATOM 1368 OD1 ASN A 91 -13.180 -1.166 -11.310 1.00 0.00 O ATOM 1369 ND2 ASN A 91 -11.115 -1.975 -11.189 1.00 0.00 N ATOM 0 H ASN A 91 -12.968 -3.628 -8.974 1.00 0.00 H new ATOM 0 HA ASN A 91 -13.789 -5.207 -11.264 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -12.114 -3.816 -12.703 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -13.781 -3.299 -12.555 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -10.754 -1.097 -10.815 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -10.484 -2.763 -11.339 1.00 0.00 H new ATOM 1376 N PRO A 92 -11.753 -6.525 -10.676 1.00 0.00 N ATOM 1377 CA PRO A 92 -10.585 -7.346 -10.343 1.00 0.00 C ATOM 1378 C PRO A 92 -9.424 -7.153 -11.313 1.00 0.00 C ATOM 1379 O PRO A 92 -9.234 -7.931 -12.253 1.00 0.00 O ATOM 1380 CB PRO A 92 -11.116 -8.779 -10.414 1.00 0.00 C ATOM 1381 CG PRO A 92 -12.279 -8.706 -11.338 1.00 0.00 C ATOM 1382 CD PRO A 92 -12.884 -7.343 -11.141 1.00 0.00 C ATOM 0 HA PRO A 92 -10.175 -7.078 -9.369 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -10.356 -9.465 -10.788 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -11.414 -9.140 -9.430 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -11.964 -8.847 -12.372 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -13.003 -9.490 -11.115 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -13.306 -6.954 -12.068 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -13.691 -7.365 -10.408 1.00 0.00 H new ATOM 1390 N GLU A 93 -8.682 -6.088 -11.091 1.00 0.00 N ATOM 1391 CA GLU A 93 -7.482 -5.792 -11.866 1.00 0.00 C ATOM 1392 C GLU A 93 -6.385 -5.280 -10.947 1.00 0.00 C ATOM 1393 O GLU A 93 -6.618 -5.047 -9.759 1.00 0.00 O ATOM 1394 CB GLU A 93 -7.786 -4.756 -12.951 1.00 0.00 C ATOM 1395 CG GLU A 93 -8.346 -3.453 -12.408 1.00 0.00 C ATOM 1396 CD GLU A 93 -8.702 -2.474 -13.501 1.00 0.00 C ATOM 1397 OE1 GLU A 93 -9.853 -2.514 -13.986 1.00 0.00 O ATOM 1398 OE2 GLU A 93 -7.838 -1.656 -13.877 1.00 0.00 O ATOM 0 H GLU A 93 -8.889 -5.399 -10.368 1.00 0.00 H new ATOM 0 HA GLU A 93 -7.143 -6.709 -12.349 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.872 -4.545 -13.507 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -8.498 -5.181 -13.658 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -9.233 -3.664 -11.811 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -7.614 -2.997 -11.741 1.00 0.00 H new ATOM 1405 N TYR A 94 -5.196 -5.121 -11.498 1.00 0.00 N ATOM 1406 CA TYR A 94 -4.064 -4.622 -10.740 1.00 0.00 C ATOM 1407 C TYR A 94 -3.469 -3.394 -11.408 1.00 0.00 C ATOM 1408 O TYR A 94 -3.783 -2.262 -11.034 1.00 0.00 O ATOM 1409 CB TYR A 94 -2.991 -5.709 -10.588 1.00 0.00 C ATOM 1410 CG TYR A 94 -3.271 -6.689 -9.473 1.00 0.00 C ATOM 1411 CD1 TYR A 94 -4.175 -7.731 -9.636 1.00 0.00 C ATOM 1412 CD2 TYR A 94 -2.641 -6.554 -8.245 1.00 0.00 C ATOM 1413 CE1 TYR A 94 -4.437 -8.614 -8.606 1.00 0.00 C ATOM 1414 CE2 TYR A 94 -2.901 -7.429 -7.211 1.00 0.00 C ATOM 1415 CZ TYR A 94 -3.799 -8.454 -7.394 1.00 0.00 C ATOM 1416 OH TYR A 94 -4.069 -9.311 -6.354 1.00 0.00 O ATOM 0 H TYR A 94 -4.989 -5.332 -12.474 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.421 -4.342 -9.749 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.905 -6.256 -11.527 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.027 -5.233 -10.407 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -4.681 -7.853 -10.582 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -1.935 -5.750 -8.096 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.137 -9.424 -8.749 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -2.401 -7.309 -6.261 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.278 -9.389 -5.781 1.00 0.00 H new ATOM 1426 N PHE A 95 -2.649 -3.634 -12.424 1.00 0.00 N ATOM 1427 CA PHE A 95 -1.867 -2.580 -13.068 1.00 0.00 C ATOM 1428 C PHE A 95 -0.937 -3.161 -14.127 1.00 0.00 C ATOM 1429 O PHE A 95 -0.939 -4.368 -14.375 1.00 0.00 O ATOM 1430 CB PHE A 95 -1.043 -1.793 -12.033 1.00 0.00 C ATOM 1431 CG PHE A 95 -0.287 -2.646 -11.038 1.00 0.00 C ATOM 1432 CD1 PHE A 95 0.603 -3.623 -11.457 1.00 0.00 C ATOM 1433 CD2 PHE A 95 -0.465 -2.454 -9.679 1.00 0.00 C ATOM 1434 CE1 PHE A 95 1.298 -4.386 -10.541 1.00 0.00 C ATOM 1435 CE2 PHE A 95 0.227 -3.215 -8.758 1.00 0.00 C ATOM 1436 CZ PHE A 95 1.111 -4.185 -9.189 1.00 0.00 C ATOM 0 H PHE A 95 -2.506 -4.561 -12.825 1.00 0.00 H new ATOM 0 HA PHE A 95 -2.570 -1.900 -13.549 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -0.330 -1.161 -12.563 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -1.713 -1.130 -11.486 1.00 0.00 H new ATOM 0 HD1 PHE A 95 0.754 -3.789 -12.513 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -1.155 -1.698 -9.334 1.00 0.00 H new ATOM 0 HE1 PHE A 95 1.989 -5.142 -10.883 1.00 0.00 H new ATOM 0 HE2 PHE A 95 0.077 -3.052 -7.701 1.00 0.00 H new ATOM 0 HZ PHE A 95 1.653 -4.783 -8.471 1.00 0.00 H new ATOM 1446 N SER A 96 -0.132 -2.300 -14.731 1.00 0.00 N ATOM 1447 CA SER A 96 0.831 -2.721 -15.736 1.00 0.00 C ATOM 1448 C SER A 96 2.126 -3.199 -15.067 1.00 0.00 C ATOM 1449 O SER A 96 2.286 -3.079 -13.850 1.00 0.00 O ATOM 1450 CB SER A 96 1.120 -1.555 -16.682 1.00 0.00 C ATOM 1451 OG SER A 96 -0.088 -0.943 -17.108 1.00 0.00 O ATOM 0 H SER A 96 -0.128 -1.298 -14.540 1.00 0.00 H new ATOM 0 HA SER A 96 0.415 -3.551 -16.306 1.00 0.00 H new ATOM 0 HB2 SER A 96 1.748 -0.820 -16.179 1.00 0.00 H new ATOM 0 HB3 SER A 96 1.677 -1.912 -17.548 1.00 0.00 H new ATOM 0 HG SER A 96 0.117 -0.198 -17.711 1.00 0.00 H new ATOM 1457 N THR A 97 3.051 -3.716 -15.870 1.00 0.00 N ATOM 1458 CA THR A 97 4.312 -4.259 -15.366 1.00 0.00 C ATOM 1459 C THR A 97 5.099 -3.193 -14.608 1.00 0.00 C ATOM 1460 O THR A 97 5.831 -3.495 -13.669 1.00 0.00 O ATOM 1461 CB THR A 97 5.163 -4.825 -16.531 1.00 0.00 C ATOM 1462 OG1 THR A 97 5.835 -6.023 -16.121 1.00 0.00 O ATOM 1463 CG2 THR A 97 6.196 -3.823 -17.035 1.00 0.00 C ATOM 0 H THR A 97 2.950 -3.771 -16.884 1.00 0.00 H new ATOM 0 HA THR A 97 4.079 -5.070 -14.676 1.00 0.00 H new ATOM 0 HB THR A 97 4.474 -5.040 -17.347 1.00 0.00 H new ATOM 0 HG1 THR A 97 6.367 -6.371 -16.867 1.00 0.00 H new ATOM 0 HG21 THR A 97 6.766 -4.267 -17.851 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.689 -2.927 -17.393 1.00 0.00 H new ATOM 0 HG23 THR A 97 6.872 -3.558 -16.222 1.00 0.00 H new ATOM 1471 N TYR A 98 4.908 -1.947 -15.032 1.00 0.00 N ATOM 1472 CA TYR A 98 5.579 -0.781 -14.451 1.00 0.00 C ATOM 1473 C TYR A 98 5.576 -0.802 -12.918 1.00 0.00 C ATOM 1474 O TYR A 98 6.635 -0.725 -12.298 1.00 0.00 O ATOM 1475 CB TYR A 98 4.905 0.496 -14.966 1.00 0.00 C ATOM 1476 CG TYR A 98 5.443 1.772 -14.362 1.00 0.00 C ATOM 1477 CD1 TYR A 98 6.712 2.241 -14.681 1.00 0.00 C ATOM 1478 CD2 TYR A 98 4.670 2.516 -13.480 1.00 0.00 C ATOM 1479 CE1 TYR A 98 7.195 3.414 -14.134 1.00 0.00 C ATOM 1480 CE2 TYR A 98 5.147 3.689 -12.928 1.00 0.00 C ATOM 1481 CZ TYR A 98 6.409 4.134 -13.258 1.00 0.00 C ATOM 1482 OH TYR A 98 6.886 5.310 -12.722 1.00 0.00 O ATOM 0 H TYR A 98 4.276 -1.712 -15.798 1.00 0.00 H new ATOM 0 HA TYR A 98 6.623 -0.808 -14.762 1.00 0.00 H new ATOM 0 HB2 TYR A 98 5.022 0.543 -16.049 1.00 0.00 H new ATOM 0 HB3 TYR A 98 3.836 0.435 -14.764 1.00 0.00 H new ATOM 0 HD1 TYR A 98 7.330 1.680 -15.367 1.00 0.00 H new ATOM 0 HD2 TYR A 98 3.680 2.172 -13.221 1.00 0.00 H new ATOM 0 HE1 TYR A 98 8.183 3.766 -14.391 1.00 0.00 H new ATOM 0 HE2 TYR A 98 4.534 4.254 -12.241 1.00 0.00 H new ATOM 0 HH TYR A 98 6.211 5.695 -12.125 1.00 0.00 H new ATOM 1492 N MET A 99 4.397 -0.916 -12.311 1.00 0.00 N ATOM 1493 CA MET A 99 4.293 -0.875 -10.851 1.00 0.00 C ATOM 1494 C MET A 99 4.911 -2.112 -10.222 1.00 0.00 C ATOM 1495 O MET A 99 5.670 -2.019 -9.257 1.00 0.00 O ATOM 1496 CB MET A 99 2.840 -0.770 -10.388 1.00 0.00 C ATOM 1497 CG MET A 99 2.153 0.537 -10.737 1.00 0.00 C ATOM 1498 SD MET A 99 0.589 0.703 -9.862 1.00 0.00 S ATOM 1499 CE MET A 99 -0.116 2.132 -10.666 1.00 0.00 C ATOM 0 H MET A 99 3.509 -1.036 -12.799 1.00 0.00 H new ATOM 0 HA MET A 99 4.836 0.014 -10.529 1.00 0.00 H new ATOM 0 HB2 MET A 99 2.273 -1.591 -10.828 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.808 -0.904 -9.307 1.00 0.00 H new ATOM 0 HG2 MET A 99 2.805 1.373 -10.484 1.00 0.00 H new ATOM 0 HG3 MET A 99 1.978 0.584 -11.812 1.00 0.00 H new ATOM 0 HE1 MET A 99 -0.680 2.717 -9.939 1.00 0.00 H new ATOM 0 HE2 MET A 99 0.682 2.745 -11.085 1.00 0.00 H new ATOM 0 HE3 MET A 99 -0.782 1.808 -11.466 1.00 0.00 H new ATOM 1509 N GLN A 100 4.578 -3.271 -10.773 1.00 0.00 N ATOM 1510 CA GLN A 100 5.048 -4.535 -10.230 1.00 0.00 C ATOM 1511 C GLN A 100 6.567 -4.589 -10.261 1.00 0.00 C ATOM 1512 O GLN A 100 7.201 -4.912 -9.262 1.00 0.00 O ATOM 1513 CB GLN A 100 4.475 -5.703 -11.030 1.00 0.00 C ATOM 1514 CG GLN A 100 4.763 -7.057 -10.408 1.00 0.00 C ATOM 1515 CD GLN A 100 4.449 -8.224 -11.329 1.00 0.00 C ATOM 1516 OE1 GLN A 100 5.096 -9.268 -11.266 1.00 0.00 O ATOM 1517 NE2 GLN A 100 3.455 -8.064 -12.188 1.00 0.00 N ATOM 0 H GLN A 100 3.983 -3.361 -11.597 1.00 0.00 H new ATOM 0 HA GLN A 100 4.709 -4.613 -9.197 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.396 -5.576 -11.123 1.00 0.00 H new ATOM 0 HB3 GLN A 100 4.887 -5.680 -12.039 1.00 0.00 H new ATOM 0 HG2 GLN A 100 5.814 -7.101 -10.123 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.180 -7.159 -9.493 1.00 0.00 H new ATOM 0 HE21 GLN A 100 2.939 -7.184 -12.213 1.00 0.00 H new ATOM 0 HE22 GLN A 100 3.205 -8.820 -12.825 1.00 0.00 H new ATOM 1526 N GLU A 101 7.136 -4.247 -11.408 1.00 0.00 N ATOM 1527 CA GLU A 101 8.578 -4.278 -11.595 1.00 0.00 C ATOM 1528 C GLU A 101 9.262 -3.223 -10.732 1.00 0.00 C ATOM 1529 O GLU A 101 10.360 -3.446 -10.227 1.00 0.00 O ATOM 1530 CB GLU A 101 8.918 -4.074 -13.070 1.00 0.00 C ATOM 1531 CG GLU A 101 10.403 -4.141 -13.374 1.00 0.00 C ATOM 1532 CD GLU A 101 10.683 -4.160 -14.858 1.00 0.00 C ATOM 1533 OE1 GLU A 101 10.778 -3.076 -15.465 1.00 0.00 O ATOM 1534 OE2 GLU A 101 10.800 -5.264 -15.429 1.00 0.00 O ATOM 0 H GLU A 101 6.614 -3.942 -12.230 1.00 0.00 H new ATOM 0 HA GLU A 101 8.947 -5.255 -11.282 1.00 0.00 H new ATOM 0 HB2 GLU A 101 8.402 -4.832 -13.660 1.00 0.00 H new ATOM 0 HB3 GLU A 101 8.535 -3.105 -13.390 1.00 0.00 H new ATOM 0 HG2 GLU A 101 10.903 -3.284 -12.923 1.00 0.00 H new ATOM 0 HG3 GLU A 101 10.826 -5.035 -12.915 1.00 0.00 H new ATOM 1541 N GLN A 102 8.605 -2.081 -10.564 1.00 0.00 N ATOM 1542 CA GLN A 102 9.102 -1.025 -9.687 1.00 0.00 C ATOM 1543 C GLN A 102 9.366 -1.584 -8.295 1.00 0.00 C ATOM 1544 O GLN A 102 10.491 -1.551 -7.792 1.00 0.00 O ATOM 1545 CB GLN A 102 8.068 0.103 -9.602 1.00 0.00 C ATOM 1546 CG GLN A 102 8.511 1.309 -8.788 1.00 0.00 C ATOM 1547 CD GLN A 102 9.636 2.093 -9.435 1.00 0.00 C ATOM 1548 OE1 GLN A 102 10.490 1.544 -10.133 1.00 0.00 O ATOM 1549 NE2 GLN A 102 9.641 3.396 -9.213 1.00 0.00 N ATOM 0 H GLN A 102 7.722 -1.861 -11.026 1.00 0.00 H new ATOM 0 HA GLN A 102 10.034 -0.633 -10.095 1.00 0.00 H new ATOM 0 HB2 GLN A 102 7.825 0.432 -10.612 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.151 -0.295 -9.168 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.657 1.970 -8.638 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.832 0.974 -7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 102 8.918 3.817 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 102 10.368 3.981 -9.625 1.00 0.00 H new ATOM 1558 N LEU A 103 8.316 -2.122 -7.696 1.00 0.00 N ATOM 1559 CA LEU A 103 8.401 -2.710 -6.366 1.00 0.00 C ATOM 1560 C LEU A 103 9.313 -3.936 -6.369 1.00 0.00 C ATOM 1561 O LEU A 103 10.096 -4.145 -5.446 1.00 0.00 O ATOM 1562 CB LEU A 103 7.005 -3.096 -5.874 1.00 0.00 C ATOM 1563 CG LEU A 103 6.013 -1.936 -5.747 1.00 0.00 C ATOM 1564 CD1 LEU A 103 4.646 -2.449 -5.323 1.00 0.00 C ATOM 1565 CD2 LEU A 103 6.527 -0.901 -4.753 1.00 0.00 C ATOM 0 H LEU A 103 7.386 -2.164 -8.113 1.00 0.00 H new ATOM 0 HA LEU A 103 8.827 -1.969 -5.690 1.00 0.00 H new ATOM 0 HB2 LEU A 103 6.588 -3.836 -6.557 1.00 0.00 H new ATOM 0 HB3 LEU A 103 7.101 -3.579 -4.901 1.00 0.00 H new ATOM 0 HG LEU A 103 5.914 -1.458 -6.722 1.00 0.00 H new ATOM 0 HD11 LEU A 103 3.954 -1.612 -5.238 1.00 0.00 H new ATOM 0 HD12 LEU A 103 4.274 -3.153 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 103 4.729 -2.951 -4.359 1.00 0.00 H new ATOM 0 HD21 LEU A 103 5.810 -0.084 -4.675 1.00 0.00 H new ATOM 0 HD22 LEU A 103 6.654 -1.367 -3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 103 7.485 -0.511 -5.096 1.00 0.00 H new ATOM 1577 N LYS A 104 9.211 -4.729 -7.428 1.00 0.00 N ATOM 1578 CA LYS A 104 9.987 -5.955 -7.559 1.00 0.00 C ATOM 1579 C LYS A 104 11.483 -5.664 -7.579 1.00 0.00 C ATOM 1580 O LYS A 104 12.267 -6.395 -6.980 1.00 0.00 O ATOM 1581 CB LYS A 104 9.577 -6.694 -8.835 1.00 0.00 C ATOM 1582 CG LYS A 104 10.190 -8.076 -8.980 1.00 0.00 C ATOM 1583 CD LYS A 104 9.756 -8.729 -10.279 1.00 0.00 C ATOM 1584 CE LYS A 104 10.249 -10.161 -10.386 1.00 0.00 C ATOM 1585 NZ LYS A 104 9.841 -10.786 -11.671 1.00 0.00 N ATOM 0 H LYS A 104 8.591 -4.542 -8.216 1.00 0.00 H new ATOM 0 HA LYS A 104 9.780 -6.584 -6.693 1.00 0.00 H new ATOM 0 HB2 LYS A 104 8.491 -6.787 -8.854 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.861 -6.091 -9.698 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.277 -8.000 -8.952 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.892 -8.700 -8.138 1.00 0.00 H new ATOM 0 HD2 LYS A 104 8.668 -8.714 -10.347 1.00 0.00 H new ATOM 0 HD3 LYS A 104 10.136 -8.150 -11.121 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.335 -10.180 -10.301 1.00 0.00 H new ATOM 0 HE3 LYS A 104 9.854 -10.745 -9.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 10.195 -11.763 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 8.803 -10.790 -11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 10.239 -10.242 -12.463 1.00 0.00 H new ATOM 1599 N GLU A 105 11.877 -4.591 -8.250 1.00 0.00 N ATOM 1600 CA GLU A 105 13.286 -4.244 -8.358 1.00 0.00 C ATOM 1601 C GLU A 105 13.795 -3.637 -7.053 1.00 0.00 C ATOM 1602 O GLU A 105 14.981 -3.729 -6.732 1.00 0.00 O ATOM 1603 CB GLU A 105 13.516 -3.292 -9.530 1.00 0.00 C ATOM 1604 CG GLU A 105 14.984 -3.100 -9.871 1.00 0.00 C ATOM 1605 CD GLU A 105 15.190 -2.388 -11.189 1.00 0.00 C ATOM 1606 OE1 GLU A 105 15.210 -3.068 -12.240 1.00 0.00 O ATOM 1607 OE2 GLU A 105 15.351 -1.150 -11.186 1.00 0.00 O ATOM 0 H GLU A 105 11.244 -3.948 -8.726 1.00 0.00 H new ATOM 0 HA GLU A 105 13.851 -5.157 -8.547 1.00 0.00 H new ATOM 0 HB2 GLU A 105 12.994 -3.674 -10.407 1.00 0.00 H new ATOM 0 HB3 GLU A 105 13.076 -2.323 -9.294 1.00 0.00 H new ATOM 0 HG2 GLU A 105 15.466 -2.530 -9.076 1.00 0.00 H new ATOM 0 HG3 GLU A 105 15.474 -4.073 -9.908 1.00 0.00 H new ATOM 1614 N LEU A 106 12.894 -3.029 -6.293 1.00 0.00 N ATOM 1615 CA LEU A 106 13.233 -2.554 -4.958 1.00 0.00 C ATOM 1616 C LEU A 106 13.500 -3.748 -4.044 1.00 0.00 C ATOM 1617 O LEU A 106 14.393 -3.714 -3.194 1.00 0.00 O ATOM 1618 CB LEU A 106 12.108 -1.687 -4.386 1.00 0.00 C ATOM 1619 CG LEU A 106 11.845 -0.380 -5.139 1.00 0.00 C ATOM 1620 CD1 LEU A 106 10.667 0.362 -4.525 1.00 0.00 C ATOM 1621 CD2 LEU A 106 13.090 0.497 -5.131 1.00 0.00 C ATOM 0 H LEU A 106 11.930 -2.854 -6.575 1.00 0.00 H new ATOM 0 HA LEU A 106 14.131 -1.940 -5.021 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.189 -2.273 -4.376 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.346 -1.449 -3.349 1.00 0.00 H new ATOM 0 HG LEU A 106 11.598 -0.621 -6.173 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.495 1.288 -5.073 1.00 0.00 H new ATOM 0 HD12 LEU A 106 9.775 -0.263 -4.579 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.886 0.593 -3.482 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.887 1.422 -5.670 1.00 0.00 H new ATOM 0 HD22 LEU A 106 13.365 0.729 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 106 13.911 -0.032 -5.615 1.00 0.00 H new ATOM 1633 N VAL A 107 12.730 -4.810 -4.242 1.00 0.00 N ATOM 1634 CA VAL A 107 12.932 -6.056 -3.515 1.00 0.00 C ATOM 1635 C VAL A 107 14.117 -6.822 -4.108 1.00 0.00 C ATOM 1636 O VAL A 107 14.728 -7.662 -3.450 1.00 0.00 O ATOM 1637 CB VAL A 107 11.661 -6.940 -3.552 1.00 0.00 C ATOM 1638 CG1 VAL A 107 11.856 -8.219 -2.752 1.00 0.00 C ATOM 1639 CG2 VAL A 107 10.460 -6.169 -3.028 1.00 0.00 C ATOM 0 H VAL A 107 11.955 -4.833 -4.905 1.00 0.00 H new ATOM 0 HA VAL A 107 13.144 -5.809 -2.475 1.00 0.00 H new ATOM 0 HB VAL A 107 11.476 -7.215 -4.590 1.00 0.00 H new ATOM 0 HG11 VAL A 107 10.947 -8.818 -2.797 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.686 -8.787 -3.171 1.00 0.00 H new ATOM 0 HG13 VAL A 107 12.075 -7.969 -1.714 1.00 0.00 H new ATOM 0 HG21 VAL A 107 9.576 -6.806 -3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.646 -5.860 -1.999 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.295 -5.287 -3.647 1.00 0.00 H new ATOM 1649 N LEU A 108 14.454 -6.504 -5.350 1.00 0.00 N ATOM 1650 CA LEU A 108 15.584 -7.131 -6.025 1.00 0.00 C ATOM 1651 C LEU A 108 16.898 -6.689 -5.387 1.00 0.00 C ATOM 1652 O LEU A 108 17.930 -7.337 -5.555 1.00 0.00 O ATOM 1653 CB LEU A 108 15.574 -6.796 -7.519 1.00 0.00 C ATOM 1654 CG LEU A 108 16.667 -7.472 -8.351 1.00 0.00 C ATOM 1655 CD1 LEU A 108 16.553 -8.987 -8.256 1.00 0.00 C ATOM 1656 CD2 LEU A 108 16.582 -7.023 -9.800 1.00 0.00 C ATOM 0 H LEU A 108 13.959 -5.813 -5.914 1.00 0.00 H new ATOM 0 HA LEU A 108 15.493 -8.212 -5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 108 14.604 -7.075 -7.930 1.00 0.00 H new ATOM 0 HB3 LEU A 108 15.670 -5.716 -7.633 1.00 0.00 H new ATOM 0 HG LEU A 108 17.637 -7.176 -7.952 1.00 0.00 H new ATOM 0 HD11 LEU A 108 17.338 -9.449 -8.854 1.00 0.00 H new ATOM 0 HD12 LEU A 108 16.660 -9.295 -7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 108 15.579 -9.303 -8.630 1.00 0.00 H new ATOM 0 HD21 LEU A 108 17.365 -7.512 -10.379 1.00 0.00 H new ATOM 0 HD22 LEU A 108 15.608 -7.292 -10.208 1.00 0.00 H new ATOM 0 HD23 LEU A 108 16.712 -5.942 -9.854 1.00 0.00 H new ATOM 1668 N GLU A 109 16.856 -5.582 -4.649 1.00 0.00 N ATOM 1669 CA GLU A 109 18.020 -5.118 -3.902 1.00 0.00 C ATOM 1670 C GLU A 109 18.316 -6.048 -2.729 1.00 0.00 C ATOM 1671 O GLU A 109 19.351 -5.930 -2.072 1.00 0.00 O ATOM 1672 CB GLU A 109 17.823 -3.682 -3.418 1.00 0.00 C ATOM 1673 CG GLU A 109 17.928 -2.648 -4.528 1.00 0.00 C ATOM 1674 CD GLU A 109 19.327 -2.565 -5.115 1.00 0.00 C ATOM 1675 OE1 GLU A 109 19.777 -3.544 -5.746 1.00 0.00 O ATOM 1676 OE2 GLU A 109 19.980 -1.513 -4.952 1.00 0.00 O ATOM 0 H GLU A 109 16.030 -4.992 -4.553 1.00 0.00 H new ATOM 0 HA GLU A 109 18.878 -5.132 -4.574 1.00 0.00 H new ATOM 0 HB2 GLU A 109 16.845 -3.597 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 109 18.567 -3.459 -2.653 1.00 0.00 H new ATOM 0 HG2 GLU A 109 17.220 -2.895 -5.319 1.00 0.00 H new ATOM 0 HG3 GLU A 109 17.642 -1.671 -4.138 1.00 0.00 H new ATOM 1683 N HIS A 110 17.406 -6.980 -2.486 1.00 0.00 N ATOM 1684 CA HIS A 110 17.629 -8.050 -1.523 1.00 0.00 C ATOM 1685 C HIS A 110 18.561 -9.093 -2.149 1.00 0.00 C ATOM 1686 O HIS A 110 18.244 -10.281 -2.228 1.00 0.00 O ATOM 1687 CB HIS A 110 16.284 -8.667 -1.117 1.00 0.00 C ATOM 1688 CG HIS A 110 16.363 -9.692 -0.024 1.00 0.00 C ATOM 1689 ND1 HIS A 110 16.392 -9.368 1.315 1.00 0.00 N ATOM 1690 CD2 HIS A 110 16.397 -11.044 -0.079 1.00 0.00 C ATOM 1691 CE1 HIS A 110 16.441 -10.476 2.032 1.00 0.00 C ATOM 1692 NE2 HIS A 110 16.447 -11.506 1.210 1.00 0.00 N ATOM 0 H HIS A 110 16.497 -7.017 -2.947 1.00 0.00 H new ATOM 0 HA HIS A 110 18.101 -7.660 -0.621 1.00 0.00 H new ATOM 0 HB2 HIS A 110 15.616 -7.867 -0.798 1.00 0.00 H new ATOM 0 HB3 HIS A 110 15.832 -9.128 -1.995 1.00 0.00 H new ATOM 0 HD2 HIS A 110 16.387 -11.648 -0.974 1.00 0.00 H new ATOM 0 HE1 HIS A 110 16.471 -10.529 3.110 1.00 0.00 H new ATOM 0 HE2 HIS A 110 16.483 -12.487 1.488 1.00 0.00 H new