USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 656 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 85 THR OG1 : rot -83:sc= 1.02 USER MOD Set 1.2: A 106 SER OG : rot 180:sc= 0.888 USER MOD Set 2.1: A 89 SER OG : rot 180:sc= -0.386 USER MOD Set 2.2: A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 69 TYR OH : rot 180:sc= 0.571 USER MOD Set 3.2: A 100 GLN : amide:sc= -2.38! C(o=-1.8!,f=-2.1!) USER MOD Set 4.1: A 46 GLN : amide:sc= 0 K(o=-0.11,f=-1.1) USER MOD Set 4.2: A 48 MET CE :methyl -162:sc= -0.113 (180deg=-0.584) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 21 SER OG : rot 180:sc= -0.0286 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.814 USER MOD Single : A 44 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= -0.021 (180deg=-0.187) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -167:sc= -0.0201 (180deg=-0.176) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.0749 K(o=-0.075,f=-0.62) USER MOD Single : A 54 LYS NZ :NH3+ -143:sc= -0.0256 (180deg=-0.309) USER MOD Single : A 68 LYS NZ :NH3+ 167:sc= -0.0339 (180deg=-0.218) USER MOD Single : A 70 GLN : amide:sc= -0.429 K(o=-0.43,f=-1.5!) USER MOD Single : A 72 GLN :FLIP amide:sc= -0.161 F(o=-0.69,f=-0.16) USER MOD Single : A 80 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.255 USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HD1:sc= -0.0217 X(o=-0.022,f=-0.019) USER MOD Single : A 96 ASN : amide:sc= -0.401 X(o=-0.4,f=-0.086) USER MOD Single : A 101 LYS NZ :NH3+ -164:sc= -0.0232 (180deg=-0.221) USER MOD Single : A 102 THR OG1 : rot 34:sc= 1 USER MOD Single : A 104 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -143:sc=-0.000564 (180deg=-0.452) USER MOD ----------------------------------------------------------------- ATOM 257 N GLY A 16 -38.389 13.521 11.248 1.00 0.00 N ATOM 258 CA GLY A 16 -37.025 13.346 10.819 1.00 0.00 C ATOM 259 C GLY A 16 -36.619 14.372 9.795 1.00 0.00 C ATOM 260 O GLY A 16 -37.353 14.622 8.837 1.00 0.00 O ATOM 0 HA2 GLY A 16 -36.362 13.413 11.682 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -36.902 12.347 10.400 1.00 0.00 H new ATOM 264 N GLU A 17 -35.481 14.996 10.003 1.00 0.00 N ATOM 265 CA GLU A 17 -34.957 15.949 9.074 1.00 0.00 C ATOM 266 C GLU A 17 -33.776 15.355 8.370 1.00 0.00 C ATOM 267 O GLU A 17 -33.244 14.333 8.802 1.00 0.00 O ATOM 268 CB GLU A 17 -34.482 17.208 9.782 1.00 0.00 C ATOM 269 CG GLU A 17 -35.471 17.820 10.769 1.00 0.00 C ATOM 270 CD GLU A 17 -35.293 17.292 12.185 1.00 0.00 C ATOM 271 OE1 GLU A 17 -35.866 16.231 12.515 1.00 0.00 O ATOM 272 OE2 GLU A 17 -34.584 17.943 12.980 1.00 0.00 O ATOM 0 H GLU A 17 -34.897 14.850 10.827 1.00 0.00 H new ATOM 0 HA GLU A 17 -35.753 16.204 8.375 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -33.559 16.978 10.315 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -34.237 17.957 9.029 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -35.351 18.903 10.772 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -36.487 17.613 10.434 1.00 0.00 H new ATOM 279 N TRP A 18 -33.382 15.973 7.279 1.00 0.00 N ATOM 280 CA TRP A 18 -32.187 15.594 6.597 1.00 0.00 C ATOM 281 C TRP A 18 -30.986 15.666 7.519 1.00 0.00 C ATOM 282 O TRP A 18 -30.698 16.715 8.103 1.00 0.00 O ATOM 283 CB TRP A 18 -31.970 16.504 5.418 1.00 0.00 C ATOM 284 CG TRP A 18 -32.913 16.238 4.319 1.00 0.00 C ATOM 285 CD1 TRP A 18 -33.890 17.058 3.871 1.00 0.00 C ATOM 286 CD2 TRP A 18 -32.989 15.049 3.545 1.00 0.00 C ATOM 287 NE1 TRP A 18 -34.573 16.456 2.859 1.00 0.00 N ATOM 288 CE2 TRP A 18 -34.035 15.215 2.633 1.00 0.00 C ATOM 289 CE3 TRP A 18 -32.265 13.863 3.538 1.00 0.00 C ATOM 290 CZ2 TRP A 18 -34.382 14.226 1.711 1.00 0.00 C ATOM 291 CZ3 TRP A 18 -32.602 12.882 2.632 1.00 0.00 C ATOM 292 CH2 TRP A 18 -33.650 13.066 1.728 1.00 0.00 C ATOM 0 H TRP A 18 -33.886 16.749 6.849 1.00 0.00 H new ATOM 0 HA TRP A 18 -32.298 14.564 6.257 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -32.074 17.540 5.739 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -30.950 16.384 5.054 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -34.098 18.044 4.259 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -35.358 16.862 2.351 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -31.451 13.713 4.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -35.194 14.368 1.013 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -32.047 11.956 2.621 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -33.889 12.279 1.028 1.00 0.00 H new ATOM 303 N GLN A 19 -30.296 14.561 7.642 1.00 0.00 N ATOM 304 CA GLN A 19 -29.104 14.488 8.448 1.00 0.00 C ATOM 305 C GLN A 19 -27.951 14.189 7.522 1.00 0.00 C ATOM 306 O GLN A 19 -27.914 13.130 6.901 1.00 0.00 O ATOM 307 CB GLN A 19 -29.241 13.383 9.496 1.00 0.00 C ATOM 308 CG GLN A 19 -30.381 13.606 10.481 1.00 0.00 C ATOM 309 CD GLN A 19 -30.628 12.403 11.366 1.00 0.00 C ATOM 310 OE1 GLN A 19 -29.710 11.635 11.666 1.00 0.00 O ATOM 311 NE2 GLN A 19 -31.863 12.230 11.792 1.00 0.00 N ATOM 0 H GLN A 19 -30.546 13.684 7.185 1.00 0.00 H new ATOM 0 HA GLN A 19 -28.939 15.428 8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -29.394 12.431 8.988 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -28.306 13.303 10.050 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -30.154 14.471 11.104 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -31.292 13.841 9.930 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -32.593 12.889 11.521 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -32.089 11.438 12.393 1.00 0.00 H new ATOM 320 N TRP A 20 -27.025 15.114 7.412 1.00 0.00 N ATOM 321 CA TRP A 20 -25.935 14.967 6.470 1.00 0.00 C ATOM 322 C TRP A 20 -24.632 14.587 7.139 1.00 0.00 C ATOM 323 O TRP A 20 -24.322 15.039 8.248 1.00 0.00 O ATOM 324 CB TRP A 20 -25.762 16.243 5.645 1.00 0.00 C ATOM 325 CG TRP A 20 -26.894 16.497 4.706 1.00 0.00 C ATOM 326 CD1 TRP A 20 -27.889 17.402 4.868 1.00 0.00 C ATOM 327 CD2 TRP A 20 -27.148 15.832 3.461 1.00 0.00 C ATOM 328 NE1 TRP A 20 -28.757 17.348 3.802 1.00 0.00 N ATOM 329 CE2 TRP A 20 -28.323 16.391 2.925 1.00 0.00 C ATOM 330 CE3 TRP A 20 -26.496 14.819 2.749 1.00 0.00 C ATOM 331 CZ2 TRP A 20 -28.860 15.972 1.709 1.00 0.00 C ATOM 332 CZ3 TRP A 20 -27.031 14.405 1.542 1.00 0.00 C ATOM 333 CH2 TRP A 20 -28.202 14.980 1.034 1.00 0.00 C ATOM 0 H TRP A 20 -27.003 15.974 7.960 1.00 0.00 H new ATOM 0 HA TRP A 20 -26.201 14.145 5.806 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -25.661 17.093 6.320 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -24.835 16.176 5.076 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -27.987 18.069 5.712 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -29.589 17.927 3.684 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -25.593 14.369 3.134 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -29.763 16.414 1.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -26.537 13.625 0.982 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -28.594 14.633 0.089 1.00 0.00 H new ATOM 344 N SER A 21 -23.878 13.759 6.452 1.00 0.00 N ATOM 345 CA SER A 21 -22.587 13.305 6.903 1.00 0.00 C ATOM 346 C SER A 21 -21.501 14.040 6.115 1.00 0.00 C ATOM 347 O SER A 21 -21.800 14.739 5.139 1.00 0.00 O ATOM 348 CB SER A 21 -22.460 11.781 6.725 1.00 0.00 C ATOM 349 OG SER A 21 -21.264 11.281 7.312 1.00 0.00 O ATOM 0 H SER A 21 -24.152 13.376 5.547 1.00 0.00 H new ATOM 0 HA SER A 21 -22.470 13.524 7.964 1.00 0.00 H new ATOM 0 HB2 SER A 21 -23.321 11.289 7.177 1.00 0.00 H new ATOM 0 HB3 SER A 21 -22.474 11.536 5.663 1.00 0.00 H new ATOM 0 HG SER A 21 -21.217 10.311 7.182 1.00 0.00 H new ATOM 355 N VAL A 22 -20.261 13.872 6.516 1.00 0.00 N ATOM 356 CA VAL A 22 -19.154 14.567 5.885 1.00 0.00 C ATOM 357 C VAL A 22 -18.525 13.695 4.808 1.00 0.00 C ATOM 358 O VAL A 22 -18.655 12.472 4.839 1.00 0.00 O ATOM 359 CB VAL A 22 -18.072 14.975 6.914 1.00 0.00 C ATOM 360 CG1 VAL A 22 -18.628 15.991 7.900 1.00 0.00 C ATOM 361 CG2 VAL A 22 -17.536 13.750 7.651 1.00 0.00 C ATOM 0 H VAL A 22 -19.989 13.256 7.282 1.00 0.00 H new ATOM 0 HA VAL A 22 -19.556 15.474 5.434 1.00 0.00 H new ATOM 0 HB VAL A 22 -17.245 15.436 6.374 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -17.853 16.266 8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -18.955 16.880 7.361 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -19.475 15.557 8.431 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -16.777 14.061 8.369 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -18.353 13.256 8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -17.095 13.058 6.934 1.00 0.00 H new ATOM 371 N CYS A 23 -17.890 14.338 3.835 1.00 0.00 N ATOM 372 CA CYS A 23 -17.262 13.636 2.719 1.00 0.00 C ATOM 373 C CYS A 23 -16.250 12.608 3.210 1.00 0.00 C ATOM 374 O CYS A 23 -15.224 12.958 3.799 1.00 0.00 O ATOM 375 CB CYS A 23 -16.588 14.637 1.765 1.00 0.00 C ATOM 376 SG CYS A 23 -15.695 13.870 0.364 1.00 0.00 S ATOM 0 H CYS A 23 -17.795 15.353 3.796 1.00 0.00 H new ATOM 0 HA CYS A 23 -18.044 13.105 2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -17.348 15.310 1.369 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -15.887 15.247 2.335 1.00 0.00 H new ATOM 381 N VAL A 24 -16.547 11.347 2.971 1.00 0.00 N ATOM 382 CA VAL A 24 -15.669 10.267 3.365 1.00 0.00 C ATOM 383 C VAL A 24 -15.038 9.629 2.128 1.00 0.00 C ATOM 384 O VAL A 24 -15.745 9.160 1.230 1.00 0.00 O ATOM 385 CB VAL A 24 -16.405 9.196 4.217 1.00 0.00 C ATOM 386 CG1 VAL A 24 -16.693 9.739 5.611 1.00 0.00 C ATOM 387 CG2 VAL A 24 -17.702 8.756 3.549 1.00 0.00 C ATOM 0 H VAL A 24 -17.400 11.044 2.500 1.00 0.00 H new ATOM 0 HA VAL A 24 -14.884 10.690 3.992 1.00 0.00 H new ATOM 0 HB VAL A 24 -15.754 8.326 4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -17.209 8.979 6.198 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -15.755 10.001 6.100 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -17.322 10.626 5.533 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -18.194 8.006 4.169 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -18.360 9.617 3.429 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -17.481 8.330 2.571 1.00 0.00 H new ATOM 397 N PRO A 25 -13.700 9.640 2.051 1.00 0.00 N ATOM 398 CA PRO A 25 -12.967 9.115 0.895 1.00 0.00 C ATOM 399 C PRO A 25 -13.072 7.596 0.737 1.00 0.00 C ATOM 400 O PRO A 25 -12.860 6.838 1.682 1.00 0.00 O ATOM 401 CB PRO A 25 -11.516 9.528 1.168 1.00 0.00 C ATOM 402 CG PRO A 25 -11.436 9.701 2.646 1.00 0.00 C ATOM 403 CD PRO A 25 -12.794 10.178 3.086 1.00 0.00 C ATOM 0 HA PRO A 25 -13.375 9.508 -0.036 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -10.817 8.767 0.821 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -11.264 10.452 0.648 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -11.176 8.762 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -10.664 10.423 2.912 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.049 9.803 4.077 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -12.841 11.266 3.135 1.00 0.00 H new ATOM 411 N THR A 26 -13.422 7.179 -0.467 1.00 0.00 N ATOM 412 CA THR A 26 -13.503 5.783 -0.816 1.00 0.00 C ATOM 413 C THR A 26 -12.096 5.242 -1.054 1.00 0.00 C ATOM 414 O THR A 26 -11.843 4.042 -0.939 1.00 0.00 O ATOM 415 CB THR A 26 -14.384 5.587 -2.085 1.00 0.00 C ATOM 416 OG1 THR A 26 -15.722 6.042 -1.815 1.00 0.00 O ATOM 417 CG2 THR A 26 -14.426 4.129 -2.524 1.00 0.00 C ATOM 0 H THR A 26 -13.659 7.810 -1.232 1.00 0.00 H new ATOM 0 HA THR A 26 -13.967 5.234 0.003 1.00 0.00 H new ATOM 0 HB THR A 26 -13.941 6.169 -2.893 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.276 5.920 -2.614 1.00 0.00 H new ATOM 0 HG21 THR A 26 -15.051 4.034 -3.412 1.00 0.00 H new ATOM 0 HG22 THR A 26 -13.416 3.789 -2.753 1.00 0.00 H new ATOM 0 HG23 THR A 26 -14.841 3.519 -1.722 1.00 0.00 H new ATOM 425 N SER A 27 -11.181 6.147 -1.362 1.00 0.00 N ATOM 426 CA SER A 27 -9.810 5.783 -1.614 1.00 0.00 C ATOM 427 C SER A 27 -8.887 7.000 -1.448 1.00 0.00 C ATOM 428 O SER A 27 -9.021 7.996 -2.161 1.00 0.00 O ATOM 429 CB SER A 27 -9.700 5.206 -3.018 1.00 0.00 C ATOM 430 OG SER A 27 -8.422 4.634 -3.259 1.00 0.00 O ATOM 0 H SER A 27 -11.373 7.146 -1.442 1.00 0.00 H new ATOM 0 HA SER A 27 -9.495 5.031 -0.891 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.470 4.447 -3.160 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.889 5.992 -3.749 1.00 0.00 H new ATOM 0 HG SER A 27 -8.392 4.273 -4.170 1.00 0.00 H new ATOM 436 N GLY A 28 -7.984 6.912 -0.475 1.00 0.00 N ATOM 437 CA GLY A 28 -7.030 7.978 -0.205 1.00 0.00 C ATOM 438 C GLY A 28 -6.119 8.269 -1.376 1.00 0.00 C ATOM 439 O GLY A 28 -5.718 9.413 -1.588 1.00 0.00 O ATOM 0 H GLY A 28 -7.895 6.105 0.143 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.573 8.885 0.059 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -6.425 7.706 0.660 1.00 0.00 H new ATOM 443 N ASP A 29 -5.796 7.239 -2.146 1.00 0.00 N ATOM 444 CA ASP A 29 -4.937 7.391 -3.328 1.00 0.00 C ATOM 445 C ASP A 29 -5.696 8.006 -4.487 1.00 0.00 C ATOM 446 O ASP A 29 -5.713 7.452 -5.592 1.00 0.00 O ATOM 447 CB ASP A 29 -4.347 6.051 -3.761 1.00 0.00 C ATOM 448 CG ASP A 29 -3.107 5.681 -2.993 1.00 0.00 C ATOM 449 OD1 ASP A 29 -2.039 6.267 -3.268 1.00 0.00 O ATOM 450 OD2 ASP A 29 -3.183 4.792 -2.120 1.00 0.00 O ATOM 0 H ASP A 29 -6.113 6.284 -1.979 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.124 8.060 -3.045 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -5.096 5.270 -3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.111 6.090 -4.824 1.00 0.00 H new ATOM 455 N CYS A 30 -6.329 9.140 -4.227 1.00 0.00 N ATOM 456 CA CYS A 30 -7.090 9.868 -5.239 1.00 0.00 C ATOM 457 C CYS A 30 -8.297 9.052 -5.674 1.00 0.00 C ATOM 458 O CYS A 30 -8.262 8.350 -6.694 1.00 0.00 O ATOM 459 CB CYS A 30 -6.202 10.233 -6.447 1.00 0.00 C ATOM 460 SG CYS A 30 -7.073 11.102 -7.795 1.00 0.00 S ATOM 0 H CYS A 30 -6.331 9.584 -3.309 1.00 0.00 H new ATOM 0 HA CYS A 30 -7.444 10.801 -4.800 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -5.380 10.859 -6.101 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -5.761 9.320 -6.846 1.00 0.00 H new ATOM 465 N GLY A 31 -9.345 9.109 -4.878 1.00 0.00 N ATOM 466 CA GLY A 31 -10.515 8.337 -5.168 1.00 0.00 C ATOM 467 C GLY A 31 -11.799 8.971 -4.714 1.00 0.00 C ATOM 468 O GLY A 31 -11.807 9.818 -3.819 1.00 0.00 O ATOM 0 H GLY A 31 -9.402 9.679 -4.034 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -10.567 8.167 -6.243 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.418 7.360 -4.695 1.00 0.00 H new ATOM 472 N LEU A 32 -12.880 8.552 -5.360 1.00 0.00 N ATOM 473 CA LEU A 32 -14.241 9.007 -5.078 1.00 0.00 C ATOM 474 C LEU A 32 -14.578 8.947 -3.598 1.00 0.00 C ATOM 475 O LEU A 32 -13.934 8.249 -2.833 1.00 0.00 O ATOM 476 CB LEU A 32 -15.277 8.211 -5.895 1.00 0.00 C ATOM 477 CG LEU A 32 -15.463 8.630 -7.370 1.00 0.00 C ATOM 478 CD1 LEU A 32 -15.906 10.083 -7.470 1.00 0.00 C ATOM 479 CD2 LEU A 32 -14.193 8.400 -8.181 1.00 0.00 C ATOM 0 H LEU A 32 -12.836 7.868 -6.115 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.285 10.053 -5.381 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.993 7.159 -5.873 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.241 8.292 -5.394 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.246 8.001 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -16.030 10.354 -8.518 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -16.854 10.211 -6.947 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -15.152 10.725 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -14.360 8.706 -9.214 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -13.379 8.987 -7.756 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -13.930 7.342 -8.154 1.00 0.00 H new ATOM 491 N GLY A 33 -15.561 9.715 -3.202 1.00 0.00 N ATOM 492 CA GLY A 33 -15.958 9.779 -1.826 1.00 0.00 C ATOM 493 C GLY A 33 -17.460 9.716 -1.748 1.00 0.00 C ATOM 494 O GLY A 33 -18.121 9.689 -2.783 1.00 0.00 O ATOM 0 H GLY A 33 -16.105 10.311 -3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -15.517 8.953 -1.268 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -15.595 10.701 -1.372 1.00 0.00 H new ATOM 498 N THR A 34 -18.019 9.695 -0.563 1.00 0.00 N ATOM 499 CA THR A 34 -19.464 9.632 -0.450 1.00 0.00 C ATOM 500 C THR A 34 -20.013 10.506 0.669 1.00 0.00 C ATOM 501 O THR A 34 -19.303 10.866 1.610 1.00 0.00 O ATOM 502 CB THR A 34 -19.967 8.181 -0.263 1.00 0.00 C ATOM 503 OG1 THR A 34 -19.102 7.469 0.626 1.00 0.00 O ATOM 504 CG2 THR A 34 -20.051 7.451 -1.596 1.00 0.00 C ATOM 0 H THR A 34 -17.513 9.720 0.322 1.00 0.00 H new ATOM 0 HA THR A 34 -19.841 10.021 -1.396 1.00 0.00 H new ATOM 0 HB THR A 34 -20.968 8.226 0.166 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.431 6.553 0.738 1.00 0.00 H new ATOM 0 HG21 THR A 34 -20.407 6.434 -1.432 1.00 0.00 H new ATOM 0 HG22 THR A 34 -20.742 7.976 -2.255 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.064 7.420 -2.056 1.00 0.00 H new ATOM 512 N ARG A 35 -21.272 10.874 0.516 1.00 0.00 N ATOM 513 CA ARG A 35 -22.018 11.611 1.514 1.00 0.00 C ATOM 514 C ARG A 35 -23.388 10.990 1.645 1.00 0.00 C ATOM 515 O ARG A 35 -24.002 10.622 0.640 1.00 0.00 O ATOM 516 CB ARG A 35 -22.155 13.090 1.138 1.00 0.00 C ATOM 517 CG ARG A 35 -20.890 13.906 1.326 1.00 0.00 C ATOM 518 CD ARG A 35 -21.157 15.381 1.084 1.00 0.00 C ATOM 519 NE ARG A 35 -20.014 16.215 1.455 1.00 0.00 N ATOM 520 CZ ARG A 35 -19.970 16.983 2.548 1.00 0.00 C ATOM 521 NH1 ARG A 35 -20.996 17.013 3.388 1.00 0.00 N ATOM 522 NH2 ARG A 35 -18.895 17.714 2.801 1.00 0.00 N ATOM 0 H ARG A 35 -21.813 10.664 -0.323 1.00 0.00 H new ATOM 0 HA ARG A 35 -21.480 11.561 2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -22.466 13.160 0.096 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -22.950 13.532 1.738 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -20.506 13.763 2.336 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -20.120 13.554 0.640 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -21.394 15.538 0.032 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -22.031 15.689 1.657 1.00 0.00 H new ATOM 0 HE ARG A 35 -19.199 16.210 0.841 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -21.824 16.448 3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -20.957 17.601 4.220 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -18.101 17.691 2.162 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -18.862 18.300 3.635 1.00 0.00 H new ATOM 536 N GLU A 36 -23.863 10.864 2.857 1.00 0.00 N ATOM 537 CA GLU A 36 -25.141 10.234 3.103 1.00 0.00 C ATOM 538 C GLU A 36 -26.069 11.142 3.891 1.00 0.00 C ATOM 539 O GLU A 36 -25.663 11.755 4.885 1.00 0.00 O ATOM 540 CB GLU A 36 -24.951 8.899 3.824 1.00 0.00 C ATOM 541 CG GLU A 36 -24.149 9.000 5.108 1.00 0.00 C ATOM 542 CD GLU A 36 -23.997 7.671 5.797 1.00 0.00 C ATOM 543 OE1 GLU A 36 -24.856 7.327 6.631 1.00 0.00 O ATOM 544 OE2 GLU A 36 -23.013 6.961 5.512 1.00 0.00 O ATOM 0 H GLU A 36 -23.383 11.190 3.696 1.00 0.00 H new ATOM 0 HA GLU A 36 -25.609 10.045 2.137 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -25.930 8.478 4.052 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -24.453 8.202 3.150 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -23.162 9.405 4.885 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -24.637 9.702 5.784 1.00 0.00 H new ATOM 551 N GLY A 37 -27.287 11.270 3.407 1.00 0.00 N ATOM 552 CA GLY A 37 -28.291 12.047 4.081 1.00 0.00 C ATOM 553 C GLY A 37 -29.584 11.274 4.141 1.00 0.00 C ATOM 554 O GLY A 37 -29.975 10.641 3.155 1.00 0.00 O ATOM 0 H GLY A 37 -27.602 10.838 2.538 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -27.957 12.293 5.089 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -28.445 12.991 3.557 1.00 0.00 H new ATOM 558 N THR A 38 -30.253 11.301 5.270 1.00 0.00 N ATOM 559 CA THR A 38 -31.475 10.537 5.434 1.00 0.00 C ATOM 560 C THR A 38 -32.580 11.394 6.034 1.00 0.00 C ATOM 561 O THR A 38 -32.304 12.371 6.732 1.00 0.00 O ATOM 562 CB THR A 38 -31.236 9.300 6.325 1.00 0.00 C ATOM 563 OG1 THR A 38 -30.435 9.668 7.460 1.00 0.00 O ATOM 564 CG2 THR A 38 -30.535 8.197 5.545 1.00 0.00 C ATOM 0 H THR A 38 -29.975 11.842 6.089 1.00 0.00 H new ATOM 0 HA THR A 38 -31.788 10.205 4.444 1.00 0.00 H new ATOM 0 HB THR A 38 -32.203 8.927 6.661 1.00 0.00 H new ATOM 0 HG1 THR A 38 -30.286 8.881 8.025 1.00 0.00 H new ATOM 0 HG21 THR A 38 -30.378 7.336 6.194 1.00 0.00 H new ATOM 0 HG22 THR A 38 -31.152 7.903 4.696 1.00 0.00 H new ATOM 0 HG23 THR A 38 -29.573 8.561 5.185 1.00 0.00 H new ATOM 572 N ARG A 39 -33.827 11.043 5.733 1.00 0.00 N ATOM 573 CA ARG A 39 -34.982 11.761 6.255 1.00 0.00 C ATOM 574 C ARG A 39 -36.200 10.838 6.277 1.00 0.00 C ATOM 575 O ARG A 39 -36.225 9.815 5.594 1.00 0.00 O ATOM 576 CB ARG A 39 -35.286 12.992 5.389 1.00 0.00 C ATOM 577 CG ARG A 39 -36.338 13.916 5.982 1.00 0.00 C ATOM 578 CD ARG A 39 -36.723 15.022 5.022 1.00 0.00 C ATOM 579 NE ARG A 39 -37.628 15.993 5.644 1.00 0.00 N ATOM 580 CZ ARG A 39 -38.317 16.922 4.977 1.00 0.00 C ATOM 581 NH1 ARG A 39 -38.246 16.991 3.654 1.00 0.00 N ATOM 582 NH2 ARG A 39 -39.082 17.778 5.639 1.00 0.00 N ATOM 0 H ARG A 39 -34.063 10.259 5.125 1.00 0.00 H new ATOM 0 HA ARG A 39 -34.756 12.091 7.269 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -34.365 13.555 5.239 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -35.620 12.659 4.406 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -37.224 13.337 6.243 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -35.959 14.353 6.906 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -35.824 15.533 4.677 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -37.202 14.590 4.143 1.00 0.00 H new ATOM 0 HE ARG A 39 -37.739 15.956 6.657 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -37.662 16.332 3.140 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -38.775 17.703 3.151 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -39.143 17.726 6.656 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -39.609 18.489 5.132 1.00 0.00 H new ATOM 596 N THR A 40 -37.198 11.192 7.063 1.00 0.00 N ATOM 597 CA THR A 40 -38.418 10.430 7.113 1.00 0.00 C ATOM 598 C THR A 40 -39.587 11.292 6.653 1.00 0.00 C ATOM 599 O THR A 40 -39.481 12.522 6.605 1.00 0.00 O ATOM 600 CB THR A 40 -38.684 9.884 8.527 1.00 0.00 C ATOM 601 OG1 THR A 40 -38.390 10.891 9.500 1.00 0.00 O ATOM 602 CG2 THR A 40 -37.839 8.650 8.797 1.00 0.00 C ATOM 0 H THR A 40 -37.182 12.007 7.676 1.00 0.00 H new ATOM 0 HA THR A 40 -38.311 9.577 6.443 1.00 0.00 H new ATOM 0 HB THR A 40 -39.736 9.606 8.596 1.00 0.00 H new ATOM 0 HG1 THR A 40 -38.563 10.539 10.398 1.00 0.00 H new ATOM 0 HG21 THR A 40 -38.044 8.282 9.802 1.00 0.00 H new ATOM 0 HG22 THR A 40 -38.083 7.876 8.070 1.00 0.00 H new ATOM 0 HG23 THR A 40 -36.783 8.907 8.713 1.00 0.00 H new ATOM 610 N GLY A 41 -40.686 10.653 6.292 1.00 0.00 N ATOM 611 CA GLY A 41 -41.854 11.390 5.836 1.00 0.00 C ATOM 612 C GLY A 41 -42.675 11.934 6.989 1.00 0.00 C ATOM 613 O GLY A 41 -42.274 11.817 8.148 1.00 0.00 O ATOM 0 H GLY A 41 -40.795 9.639 6.305 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -41.535 12.215 5.199 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -42.477 10.737 5.225 1.00 0.00 H new ATOM 617 N ALA A 42 -43.837 12.499 6.681 1.00 0.00 N ATOM 618 CA ALA A 42 -44.694 13.081 7.713 1.00 0.00 C ATOM 619 C ALA A 42 -45.299 11.995 8.597 1.00 0.00 C ATOM 620 O ALA A 42 -45.500 12.192 9.792 1.00 0.00 O ATOM 621 CB ALA A 42 -45.791 13.922 7.074 1.00 0.00 C ATOM 0 H ALA A 42 -44.207 12.567 5.733 1.00 0.00 H new ATOM 0 HA ALA A 42 -44.081 13.725 8.343 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -46.422 14.350 7.853 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -45.341 14.725 6.490 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -46.397 13.294 6.420 1.00 0.00 H new ATOM 627 N GLU A 43 -45.575 10.843 8.006 1.00 0.00 N ATOM 628 CA GLU A 43 -46.079 9.694 8.748 1.00 0.00 C ATOM 629 C GLU A 43 -44.926 8.756 9.072 1.00 0.00 C ATOM 630 O GLU A 43 -45.122 7.584 9.401 1.00 0.00 O ATOM 631 CB GLU A 43 -47.152 8.969 7.933 1.00 0.00 C ATOM 632 CG GLU A 43 -48.311 9.862 7.522 1.00 0.00 C ATOM 633 CD GLU A 43 -49.436 9.095 6.870 1.00 0.00 C ATOM 634 OE1 GLU A 43 -49.397 8.896 5.640 1.00 0.00 O ATOM 635 OE2 GLU A 43 -50.369 8.682 7.590 1.00 0.00 O ATOM 0 H GLU A 43 -45.458 10.677 7.006 1.00 0.00 H new ATOM 0 HA GLU A 43 -46.531 10.034 9.680 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -46.694 8.548 7.038 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -47.537 8.133 8.517 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -48.693 10.382 8.401 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -47.950 10.625 6.832 1.00 0.00 H new ATOM 642 N CYS A 44 -43.727 9.311 8.978 1.00 0.00 N ATOM 643 CA CYS A 44 -42.483 8.589 9.200 1.00 0.00 C ATOM 644 C CYS A 44 -42.235 7.578 8.090 1.00 0.00 C ATOM 645 O CYS A 44 -42.164 6.367 8.322 1.00 0.00 O ATOM 646 CB CYS A 44 -42.452 7.923 10.582 1.00 0.00 C ATOM 647 SG CYS A 44 -42.523 9.109 11.968 1.00 0.00 S ATOM 0 H CYS A 44 -43.589 10.293 8.741 1.00 0.00 H new ATOM 0 HA CYS A 44 -41.672 9.317 9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -43.292 7.233 10.662 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -41.542 7.329 10.669 1.00 0.00 H new ATOM 0 HG CYS A 44 -42.494 8.462 13.095 1.00 0.00 H new ATOM 652 N LYS A 45 -42.139 8.094 6.873 1.00 0.00 N ATOM 653 CA LYS A 45 -41.838 7.287 5.702 1.00 0.00 C ATOM 654 C LYS A 45 -40.328 6.978 5.686 1.00 0.00 C ATOM 655 O LYS A 45 -39.717 6.840 6.741 1.00 0.00 O ATOM 656 CB LYS A 45 -42.262 8.053 4.435 1.00 0.00 C ATOM 657 CG LYS A 45 -42.587 7.175 3.232 1.00 0.00 C ATOM 658 CD LYS A 45 -43.657 6.150 3.564 1.00 0.00 C ATOM 659 CE LYS A 45 -44.140 5.427 2.317 1.00 0.00 C ATOM 660 NZ LYS A 45 -44.913 6.321 1.416 1.00 0.00 N ATOM 0 H LYS A 45 -42.268 9.085 6.671 1.00 0.00 H new ATOM 0 HA LYS A 45 -42.387 6.346 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -43.137 8.659 4.670 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -41.462 8.740 4.159 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -42.924 7.800 2.405 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -41.684 6.664 2.898 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -43.261 5.426 4.276 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -44.499 6.645 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -43.283 5.023 1.778 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -44.762 4.580 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -45.432 5.748 0.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -45.587 6.880 1.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -44.261 6.961 0.919 1.00 0.00 H new ATOM 674 N GLN A 46 -39.727 6.898 4.515 1.00 0.00 N ATOM 675 CA GLN A 46 -38.353 6.590 4.408 1.00 0.00 C ATOM 676 C GLN A 46 -37.773 7.252 3.165 1.00 0.00 C ATOM 677 O GLN A 46 -38.185 6.949 2.043 1.00 0.00 O ATOM 678 CB GLN A 46 -38.177 5.092 4.336 1.00 0.00 C ATOM 679 CG GLN A 46 -36.758 4.698 4.181 1.00 0.00 C ATOM 680 CD GLN A 46 -36.541 3.208 4.291 1.00 0.00 C ATOM 681 OE1 GLN A 46 -37.285 2.507 4.978 1.00 0.00 O ATOM 682 NE2 GLN A 46 -35.520 2.716 3.629 1.00 0.00 N ATOM 0 H GLN A 46 -40.196 7.048 3.622 1.00 0.00 H new ATOM 0 HA GLN A 46 -37.825 6.967 5.284 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -38.581 4.637 5.241 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -38.754 4.701 3.498 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -36.396 5.041 3.212 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -36.162 5.203 4.941 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -34.929 3.332 3.072 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -35.318 1.717 3.672 1.00 0.00 H new ATOM 691 N THR A 47 -36.849 8.165 3.365 1.00 0.00 N ATOM 692 CA THR A 47 -36.218 8.859 2.264 1.00 0.00 C ATOM 693 C THR A 47 -34.705 8.884 2.470 1.00 0.00 C ATOM 694 O THR A 47 -34.216 9.377 3.488 1.00 0.00 O ATOM 695 CB THR A 47 -36.737 10.303 2.157 1.00 0.00 C ATOM 696 OG1 THR A 47 -38.165 10.315 2.338 1.00 0.00 O ATOM 697 CG2 THR A 47 -36.402 10.893 0.794 1.00 0.00 C ATOM 0 H THR A 47 -36.516 8.446 4.287 1.00 0.00 H new ATOM 0 HA THR A 47 -36.460 8.329 1.343 1.00 0.00 H new ATOM 0 HB THR A 47 -36.257 10.903 2.930 1.00 0.00 H new ATOM 0 HG1 THR A 47 -38.495 11.235 2.271 1.00 0.00 H new ATOM 0 HG21 THR A 47 -36.777 11.915 0.738 1.00 0.00 H new ATOM 0 HG22 THR A 47 -35.321 10.895 0.654 1.00 0.00 H new ATOM 0 HG23 THR A 47 -36.868 10.292 0.013 1.00 0.00 H new ATOM 705 N MET A 48 -33.969 8.349 1.517 1.00 0.00 N ATOM 706 CA MET A 48 -32.521 8.279 1.642 1.00 0.00 C ATOM 707 C MET A 48 -31.837 8.842 0.407 1.00 0.00 C ATOM 708 O MET A 48 -32.233 8.552 -0.724 1.00 0.00 O ATOM 709 CB MET A 48 -32.064 6.830 1.865 1.00 0.00 C ATOM 710 CG MET A 48 -32.715 6.144 3.059 1.00 0.00 C ATOM 711 SD MET A 48 -32.082 4.473 3.342 1.00 0.00 S ATOM 712 CE MET A 48 -32.501 3.674 1.791 1.00 0.00 C ATOM 0 H MET A 48 -34.343 7.958 0.652 1.00 0.00 H new ATOM 0 HA MET A 48 -32.237 8.881 2.505 1.00 0.00 H new ATOM 0 HB2 MET A 48 -32.279 6.251 0.967 1.00 0.00 H new ATOM 0 HB3 MET A 48 -30.982 6.819 2.000 1.00 0.00 H new ATOM 0 HG2 MET A 48 -32.549 6.746 3.952 1.00 0.00 H new ATOM 0 HG3 MET A 48 -33.793 6.097 2.902 1.00 0.00 H new ATOM 0 HE1 MET A 48 -32.473 2.592 1.920 1.00 0.00 H new ATOM 0 HE2 MET A 48 -33.502 3.977 1.484 1.00 0.00 H new ATOM 0 HE3 MET A 48 -31.783 3.967 1.025 1.00 0.00 H new ATOM 722 N LYS A 49 -30.822 9.655 0.629 1.00 0.00 N ATOM 723 CA LYS A 49 -30.047 10.231 -0.447 1.00 0.00 C ATOM 724 C LYS A 49 -28.567 10.076 -0.177 1.00 0.00 C ATOM 725 O LYS A 49 -28.090 10.400 0.909 1.00 0.00 O ATOM 726 CB LYS A 49 -30.366 11.704 -0.613 1.00 0.00 C ATOM 727 CG LYS A 49 -31.701 11.973 -1.261 1.00 0.00 C ATOM 728 CD LYS A 49 -31.804 13.420 -1.643 1.00 0.00 C ATOM 729 CE LYS A 49 -33.107 13.732 -2.359 1.00 0.00 C ATOM 730 NZ LYS A 49 -33.194 13.047 -3.669 1.00 0.00 N ATOM 0 H LYS A 49 -30.514 9.933 1.561 1.00 0.00 H new ATOM 0 HA LYS A 49 -30.308 9.701 -1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -30.346 12.182 0.366 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -29.583 12.170 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -31.818 11.346 -2.145 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -32.507 11.711 -0.575 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -31.726 14.037 -0.748 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -30.965 13.685 -2.286 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -33.947 13.428 -1.734 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -33.192 14.809 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -33.980 13.449 -4.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -32.303 13.179 -4.190 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -33.360 12.031 -3.519 1.00 0.00 H new ATOM 744 N THR A 50 -27.843 9.583 -1.147 1.00 0.00 N ATOM 745 CA THR A 50 -26.422 9.455 -1.044 1.00 0.00 C ATOM 746 C THR A 50 -25.784 10.040 -2.284 1.00 0.00 C ATOM 747 O THR A 50 -26.202 9.730 -3.405 1.00 0.00 O ATOM 748 CB THR A 50 -25.995 7.989 -0.862 1.00 0.00 C ATOM 749 OG1 THR A 50 -26.842 7.119 -1.633 1.00 0.00 O ATOM 750 CG2 THR A 50 -26.050 7.593 0.602 1.00 0.00 C ATOM 0 H THR A 50 -28.229 9.259 -2.034 1.00 0.00 H new ATOM 0 HA THR A 50 -26.087 9.999 -0.161 1.00 0.00 H new ATOM 0 HB THR A 50 -24.968 7.889 -1.215 1.00 0.00 H new ATOM 0 HG1 THR A 50 -26.557 6.190 -1.508 1.00 0.00 H new ATOM 0 HG21 THR A 50 -25.744 6.552 0.709 1.00 0.00 H new ATOM 0 HG22 THR A 50 -25.377 8.230 1.177 1.00 0.00 H new ATOM 0 HG23 THR A 50 -27.068 7.712 0.973 1.00 0.00 H new ATOM 758 N GLN A 51 -24.788 10.883 -2.108 1.00 0.00 N ATOM 759 CA GLN A 51 -24.163 11.541 -3.237 1.00 0.00 C ATOM 760 C GLN A 51 -22.686 11.289 -3.231 1.00 0.00 C ATOM 761 O GLN A 51 -22.049 11.244 -2.170 1.00 0.00 O ATOM 762 CB GLN A 51 -24.451 13.047 -3.222 1.00 0.00 C ATOM 763 CG GLN A 51 -25.934 13.396 -3.279 1.00 0.00 C ATOM 764 CD GLN A 51 -26.607 12.897 -4.543 1.00 0.00 C ATOM 765 OE1 GLN A 51 -25.986 12.798 -5.598 1.00 0.00 O ATOM 766 NE2 GLN A 51 -27.882 12.579 -4.446 1.00 0.00 N ATOM 0 H GLN A 51 -24.395 11.128 -1.199 1.00 0.00 H new ATOM 0 HA GLN A 51 -24.586 11.126 -4.152 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -24.021 13.480 -2.319 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -23.946 13.511 -4.069 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -26.437 12.968 -2.412 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -26.051 14.478 -3.213 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -28.365 12.674 -3.553 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -28.386 12.237 -5.264 1.00 0.00 H new ATOM 775 N ARG A 52 -22.144 11.106 -4.403 1.00 0.00 N ATOM 776 CA ARG A 52 -20.751 10.799 -4.515 1.00 0.00 C ATOM 777 C ARG A 52 -19.889 12.044 -4.526 1.00 0.00 C ATOM 778 O ARG A 52 -19.904 12.849 -5.456 1.00 0.00 O ATOM 779 CB ARG A 52 -20.478 9.920 -5.730 1.00 0.00 C ATOM 780 CG ARG A 52 -21.205 8.586 -5.668 1.00 0.00 C ATOM 781 CD ARG A 52 -22.597 8.668 -6.262 1.00 0.00 C ATOM 782 NE ARG A 52 -23.331 7.407 -6.098 1.00 0.00 N ATOM 783 CZ ARG A 52 -23.785 6.654 -7.107 1.00 0.00 C ATOM 784 NH1 ARG A 52 -23.576 7.018 -8.371 1.00 0.00 N ATOM 785 NH2 ARG A 52 -24.447 5.534 -6.848 1.00 0.00 N ATOM 0 H ARG A 52 -22.646 11.164 -5.289 1.00 0.00 H new ATOM 0 HA ARG A 52 -20.475 10.235 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -20.780 10.452 -6.632 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -19.406 9.741 -5.809 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -20.627 7.833 -6.203 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -21.273 8.258 -4.631 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -23.150 9.476 -5.784 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -22.527 8.913 -7.322 1.00 0.00 H new ATOM 0 HE ARG A 52 -23.507 7.082 -5.147 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -23.066 7.877 -8.577 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -23.926 6.438 -9.133 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -24.609 5.249 -5.882 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -24.794 4.958 -7.615 1.00 0.00 H new ATOM 799 N CYS A 53 -19.168 12.178 -3.442 1.00 0.00 N ATOM 800 CA CYS A 53 -18.195 13.226 -3.245 1.00 0.00 C ATOM 801 C CYS A 53 -17.010 13.015 -4.180 1.00 0.00 C ATOM 802 O CYS A 53 -16.656 11.880 -4.502 1.00 0.00 O ATOM 803 CB CYS A 53 -17.741 13.221 -1.776 1.00 0.00 C ATOM 804 SG CYS A 53 -16.637 14.587 -1.292 1.00 0.00 S ATOM 0 H CYS A 53 -19.243 11.543 -2.648 1.00 0.00 H new ATOM 0 HA CYS A 53 -18.640 14.194 -3.474 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -18.626 13.249 -1.140 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -17.234 12.278 -1.574 1.00 0.00 H new ATOM 809 N LYS A 54 -16.411 14.097 -4.623 1.00 0.00 N ATOM 810 CA LYS A 54 -15.298 14.022 -5.521 1.00 0.00 C ATOM 811 C LYS A 54 -14.043 14.534 -4.854 1.00 0.00 C ATOM 812 O LYS A 54 -14.084 15.501 -4.094 1.00 0.00 O ATOM 813 CB LYS A 54 -15.554 14.814 -6.795 1.00 0.00 C ATOM 814 CG LYS A 54 -14.555 14.489 -7.883 1.00 0.00 C ATOM 815 CD LYS A 54 -14.535 15.535 -8.976 1.00 0.00 C ATOM 816 CE LYS A 54 -13.588 15.135 -10.100 1.00 0.00 C ATOM 817 NZ LYS A 54 -12.237 14.746 -9.594 1.00 0.00 N ATOM 0 H LYS A 54 -16.685 15.046 -4.368 1.00 0.00 H new ATOM 0 HA LYS A 54 -15.166 12.973 -5.787 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -16.561 14.604 -7.155 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.511 15.880 -6.572 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -13.560 14.404 -7.446 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.796 13.518 -8.316 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.541 15.669 -9.374 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.226 16.494 -8.560 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.019 14.302 -10.655 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.486 15.965 -10.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.509 15.077 -10.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -12.078 15.179 -8.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -12.183 13.711 -9.509 1.00 0.00 H new ATOM 831 N ILE A 55 -12.941 13.890 -5.142 1.00 0.00 N ATOM 832 CA ILE A 55 -11.674 14.270 -4.577 1.00 0.00 C ATOM 833 C ILE A 55 -10.913 15.141 -5.587 1.00 0.00 C ATOM 834 O ILE A 55 -10.855 14.815 -6.782 1.00 0.00 O ATOM 835 CB ILE A 55 -10.838 13.005 -4.211 1.00 0.00 C ATOM 836 CG1 ILE A 55 -9.526 13.383 -3.525 1.00 0.00 C ATOM 837 CG2 ILE A 55 -10.561 12.167 -5.455 1.00 0.00 C ATOM 838 CD1 ILE A 55 -8.852 12.226 -2.818 1.00 0.00 C ATOM 0 H ILE A 55 -12.898 13.090 -5.773 1.00 0.00 H new ATOM 0 HA ILE A 55 -11.843 14.839 -3.663 1.00 0.00 H new ATOM 0 HB ILE A 55 -11.426 12.412 -3.510 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -8.842 13.791 -4.269 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -9.720 14.176 -2.802 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -9.977 11.289 -5.180 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.505 11.850 -5.898 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -10.003 12.762 -6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -7.927 12.571 -2.355 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -9.517 11.832 -2.050 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.626 11.441 -3.539 1.00 0.00 H new ATOM 850 N PRO A 56 -10.390 16.301 -5.132 1.00 0.00 N ATOM 851 CA PRO A 56 -9.635 17.224 -5.984 1.00 0.00 C ATOM 852 C PRO A 56 -8.523 16.522 -6.750 1.00 0.00 C ATOM 853 O PRO A 56 -8.444 16.632 -7.976 1.00 0.00 O ATOM 854 CB PRO A 56 -9.047 18.226 -4.991 1.00 0.00 C ATOM 855 CG PRO A 56 -10.001 18.220 -3.850 1.00 0.00 C ATOM 856 CD PRO A 56 -10.520 16.811 -3.751 1.00 0.00 C ATOM 0 HA PRO A 56 -10.265 17.681 -6.747 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -8.047 17.931 -4.674 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -8.962 19.219 -5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -9.506 18.519 -2.926 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -10.815 18.925 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -9.938 16.217 -3.047 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.555 16.787 -3.409 1.00 0.00 H new ATOM 864 N CYS A 57 -7.682 15.791 -6.015 1.00 0.00 N ATOM 865 CA CYS A 57 -6.566 15.042 -6.591 1.00 0.00 C ATOM 866 C CYS A 57 -5.465 15.993 -7.085 1.00 0.00 C ATOM 867 O CYS A 57 -5.606 17.219 -7.010 1.00 0.00 O ATOM 868 CB CYS A 57 -7.057 14.125 -7.726 1.00 0.00 C ATOM 869 SG CYS A 57 -5.934 12.748 -8.136 1.00 0.00 S ATOM 0 H CYS A 57 -7.757 15.702 -5.002 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.137 14.413 -5.811 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -8.027 13.714 -7.448 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -7.211 14.728 -8.621 1.00 0.00 H new ATOM 993 N GLY A 64 -14.569 23.884 -17.208 1.00 0.00 N ATOM 994 CA GLY A 64 -15.424 23.505 -18.315 1.00 0.00 C ATOM 995 C GLY A 64 -15.738 24.668 -19.234 1.00 0.00 C ATOM 996 O GLY A 64 -16.216 24.470 -20.347 1.00 0.00 O ATOM 0 HA2 GLY A 64 -14.940 22.714 -18.888 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -16.355 23.093 -17.926 1.00 0.00 H new ATOM 1000 N ALA A 65 -15.477 25.892 -18.751 1.00 0.00 N ATOM 1001 CA ALA A 65 -15.727 27.128 -19.515 1.00 0.00 C ATOM 1002 C ALA A 65 -17.216 27.307 -19.833 1.00 0.00 C ATOM 1003 O ALA A 65 -17.589 28.124 -20.673 1.00 0.00 O ATOM 1004 CB ALA A 65 -14.892 27.155 -20.796 1.00 0.00 C ATOM 0 H ALA A 65 -15.088 26.055 -17.822 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.423 27.966 -18.888 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -15.094 28.076 -21.342 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -13.833 27.109 -20.541 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -15.153 26.299 -21.419 1.00 0.00 H new ATOM 1010 N GLU A 66 -18.060 26.556 -19.134 1.00 0.00 N ATOM 1011 CA GLU A 66 -19.503 26.615 -19.335 1.00 0.00 C ATOM 1012 C GLU A 66 -20.105 27.762 -18.523 1.00 0.00 C ATOM 1013 O GLU A 66 -21.290 28.069 -18.631 1.00 0.00 O ATOM 1014 CB GLU A 66 -20.139 25.274 -18.947 1.00 0.00 C ATOM 1015 CG GLU A 66 -19.527 24.088 -19.684 1.00 0.00 C ATOM 1016 CD GLU A 66 -20.143 22.759 -19.303 1.00 0.00 C ATOM 1017 OE1 GLU A 66 -21.122 22.345 -19.955 1.00 0.00 O ATOM 1018 OE2 GLU A 66 -19.634 22.106 -18.369 1.00 0.00 O ATOM 0 H GLU A 66 -17.766 25.893 -18.417 1.00 0.00 H new ATOM 0 HA GLU A 66 -19.710 26.803 -20.389 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -20.029 25.123 -17.873 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -21.208 25.312 -19.156 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -19.642 24.239 -20.757 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -18.457 24.056 -19.479 1.00 0.00 H new ATOM 1025 N CYS A 67 -19.263 28.390 -17.726 1.00 0.00 N ATOM 1026 CA CYS A 67 -19.649 29.519 -16.897 1.00 0.00 C ATOM 1027 C CYS A 67 -18.558 30.581 -16.997 1.00 0.00 C ATOM 1028 O CYS A 67 -17.748 30.542 -17.929 1.00 0.00 O ATOM 1029 CB CYS A 67 -19.815 29.069 -15.447 1.00 0.00 C ATOM 1030 SG CYS A 67 -20.933 27.650 -15.218 1.00 0.00 S ATOM 0 H CYS A 67 -18.281 28.129 -17.634 1.00 0.00 H new ATOM 0 HA CYS A 67 -20.600 29.929 -17.239 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -18.835 28.811 -15.046 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -20.189 29.908 -14.860 1.00 0.00 H new ATOM 1035 N LYS A 68 -18.499 31.508 -16.046 1.00 0.00 N ATOM 1036 CA LYS A 68 -17.474 32.543 -16.069 1.00 0.00 C ATOM 1037 C LYS A 68 -16.739 32.578 -14.746 1.00 0.00 C ATOM 1038 O LYS A 68 -17.357 32.491 -13.677 1.00 0.00 O ATOM 1039 CB LYS A 68 -18.059 33.925 -16.371 1.00 0.00 C ATOM 1040 CG LYS A 68 -18.451 34.127 -17.824 1.00 0.00 C ATOM 1041 CD LYS A 68 -18.776 35.588 -18.123 1.00 0.00 C ATOM 1042 CE LYS A 68 -17.560 36.496 -17.921 1.00 0.00 C ATOM 1043 NZ LYS A 68 -16.398 36.067 -18.744 1.00 0.00 N ATOM 0 H LYS A 68 -19.143 31.563 -15.257 1.00 0.00 H new ATOM 0 HA LYS A 68 -16.779 32.294 -16.871 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -18.937 34.081 -15.744 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.329 34.685 -16.093 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -17.638 33.796 -18.470 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -19.316 33.507 -18.057 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.130 35.678 -19.150 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -19.588 35.919 -17.476 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.827 37.521 -18.178 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -17.278 36.495 -16.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -15.680 36.820 -18.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -15.988 35.201 -18.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -16.712 35.880 -19.718 1.00 0.00 H new ATOM 1057 N TYR A 69 -15.429 32.705 -14.818 1.00 0.00 N ATOM 1058 CA TYR A 69 -14.602 32.730 -13.632 1.00 0.00 C ATOM 1059 C TYR A 69 -13.762 33.984 -13.554 1.00 0.00 C ATOM 1060 O TYR A 69 -13.400 34.573 -14.575 1.00 0.00 O ATOM 1061 CB TYR A 69 -13.695 31.506 -13.576 1.00 0.00 C ATOM 1062 CG TYR A 69 -14.391 30.271 -13.093 1.00 0.00 C ATOM 1063 CD1 TYR A 69 -14.287 29.068 -13.774 1.00 0.00 C ATOM 1064 CD2 TYR A 69 -15.152 30.307 -11.943 1.00 0.00 C ATOM 1065 CE1 TYR A 69 -14.929 27.938 -13.309 1.00 0.00 C ATOM 1066 CE2 TYR A 69 -15.790 29.199 -11.480 1.00 0.00 C ATOM 1067 CZ TYR A 69 -15.682 28.013 -12.159 1.00 0.00 C ATOM 1068 OH TYR A 69 -16.319 26.901 -11.681 1.00 0.00 O ATOM 0 H TYR A 69 -14.913 32.793 -15.693 1.00 0.00 H new ATOM 0 HA TYR A 69 -15.278 32.719 -12.777 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -13.288 31.319 -14.570 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -12.851 31.718 -12.920 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -13.698 29.014 -14.677 1.00 0.00 H new ATOM 0 HD2 TYR A 69 -15.243 31.235 -11.399 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -14.841 27.003 -13.843 1.00 0.00 H new ATOM 0 HE2 TYR A 69 -16.381 29.253 -10.578 1.00 0.00 H new ATOM 0 HH TYR A 69 -16.805 27.129 -10.861 1.00 0.00 H new ATOM 1078 N GLN A 70 -13.482 34.388 -12.338 1.00 0.00 N ATOM 1079 CA GLN A 70 -12.619 35.510 -12.067 1.00 0.00 C ATOM 1080 C GLN A 70 -11.518 35.032 -11.125 1.00 0.00 C ATOM 1081 O GLN A 70 -11.807 34.449 -10.067 1.00 0.00 O ATOM 1082 CB GLN A 70 -13.434 36.663 -11.451 1.00 0.00 C ATOM 1083 CG GLN A 70 -12.690 37.991 -11.334 1.00 0.00 C ATOM 1084 CD GLN A 70 -11.799 38.069 -10.110 1.00 0.00 C ATOM 1085 OE1 GLN A 70 -12.097 37.482 -9.068 1.00 0.00 O ATOM 1086 NE2 GLN A 70 -10.708 38.792 -10.228 1.00 0.00 N ATOM 0 H GLN A 70 -13.852 33.941 -11.499 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.169 35.890 -12.984 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -14.329 36.817 -12.054 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -13.767 36.362 -10.458 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -12.084 38.141 -12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.415 38.805 -11.301 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -10.500 39.261 -11.109 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -10.069 38.884 -9.438 1.00 0.00 H new ATOM 1095 N PHE A 71 -10.272 35.238 -11.516 1.00 0.00 N ATOM 1096 CA PHE A 71 -9.142 34.753 -10.737 1.00 0.00 C ATOM 1097 C PHE A 71 -8.609 35.807 -9.786 1.00 0.00 C ATOM 1098 O PHE A 71 -8.369 36.952 -10.172 1.00 0.00 O ATOM 1099 CB PHE A 71 -8.021 34.261 -11.657 1.00 0.00 C ATOM 1100 CG PHE A 71 -8.396 33.059 -12.476 1.00 0.00 C ATOM 1101 CD1 PHE A 71 -8.837 33.201 -13.783 1.00 0.00 C ATOM 1102 CD2 PHE A 71 -8.311 31.785 -11.936 1.00 0.00 C ATOM 1103 CE1 PHE A 71 -9.186 32.096 -14.534 1.00 0.00 C ATOM 1104 CE2 PHE A 71 -8.657 30.676 -12.683 1.00 0.00 C ATOM 1105 CZ PHE A 71 -9.095 30.832 -13.984 1.00 0.00 C ATOM 0 H PHE A 71 -10.016 35.737 -12.368 1.00 0.00 H new ATOM 0 HA PHE A 71 -9.505 33.919 -10.137 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -7.732 35.070 -12.327 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -7.147 34.019 -11.053 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -8.908 34.187 -14.218 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -7.970 31.658 -10.919 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -9.530 32.220 -15.550 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -8.585 29.689 -12.251 1.00 0.00 H new ATOM 0 HZ PHE A 71 -9.366 29.967 -14.571 1.00 0.00 H new ATOM 1115 N GLN A 72 -8.422 35.410 -8.547 1.00 0.00 N ATOM 1116 CA GLN A 72 -7.903 36.287 -7.528 1.00 0.00 C ATOM 1117 C GLN A 72 -6.405 36.066 -7.370 1.00 0.00 C ATOM 1118 O GLN A 72 -5.857 35.048 -7.813 1.00 0.00 O ATOM 1119 CB GLN A 72 -8.609 36.058 -6.190 1.00 0.00 C ATOM 1120 CG GLN A 72 -7.973 34.983 -5.353 1.00 0.00 C ATOM 1121 CD GLN A 72 -8.818 34.581 -4.161 1.00 0.00 C ATOM 1122 OE1 GLN A 72 -9.723 33.643 -4.368 1.00 0.00 O flip ATOM 1123 NE2 GLN A 72 -8.669 35.120 -3.071 1.00 0.00 N flip ATOM 0 H GLN A 72 -8.627 34.466 -8.219 1.00 0.00 H new ATOM 0 HA GLN A 72 -8.088 37.316 -7.837 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -8.614 36.991 -5.626 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -9.650 35.793 -6.378 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -7.792 34.106 -5.975 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -7.002 35.331 -5.002 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -7.958 35.841 -2.952 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.256 34.847 -2.283 1.00 0.00 H new ATOM 1132 N ALA A 73 -5.766 37.002 -6.734 1.00 0.00 N ATOM 1133 CA ALA A 73 -4.339 36.946 -6.524 1.00 0.00 C ATOM 1134 C ALA A 73 -4.022 37.113 -5.051 1.00 0.00 C ATOM 1135 O ALA A 73 -3.669 38.201 -4.595 1.00 0.00 O ATOM 1136 CB ALA A 73 -3.624 37.999 -7.362 1.00 0.00 C ATOM 0 H ALA A 73 -6.215 37.830 -6.343 1.00 0.00 H new ATOM 0 HA ALA A 73 -3.978 35.969 -6.845 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -2.550 37.936 -7.186 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -3.829 37.825 -8.418 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -3.980 38.990 -7.082 1.00 0.00 H new ATOM 1142 N TRP A 74 -4.185 36.034 -4.305 1.00 0.00 N ATOM 1143 CA TRP A 74 -3.951 36.057 -2.870 1.00 0.00 C ATOM 1144 C TRP A 74 -2.466 35.897 -2.576 1.00 0.00 C ATOM 1145 O TRP A 74 -1.963 36.381 -1.555 1.00 0.00 O ATOM 1146 CB TRP A 74 -4.753 34.938 -2.189 1.00 0.00 C ATOM 1147 CG TRP A 74 -4.790 35.046 -0.692 1.00 0.00 C ATOM 1148 CD1 TRP A 74 -3.887 34.534 0.194 1.00 0.00 C ATOM 1149 CD2 TRP A 74 -5.792 35.705 0.091 1.00 0.00 C ATOM 1150 NE1 TRP A 74 -4.260 34.843 1.477 1.00 0.00 N ATOM 1151 CE2 TRP A 74 -5.427 35.559 1.442 1.00 0.00 C ATOM 1152 CE3 TRP A 74 -6.961 36.407 -0.222 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 -6.189 36.089 2.480 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 -7.716 36.933 0.809 1.00 0.00 C ATOM 1155 CH2 TRP A 74 -7.327 36.771 2.144 1.00 0.00 C ATOM 0 H TRP A 74 -4.479 35.128 -4.670 1.00 0.00 H new ATOM 0 HA TRP A 74 -4.282 37.017 -2.474 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -5.774 34.951 -2.571 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -4.322 33.975 -2.464 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -3.007 33.968 -0.076 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -3.751 34.582 2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -7.267 36.535 -1.250 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -5.893 35.966 3.511 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -8.620 37.478 0.581 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -7.939 37.194 2.927 1.00 0.00 H new ATOM 1166 N GLY A 75 -1.761 35.256 -3.487 1.00 0.00 N ATOM 1167 CA GLY A 75 -0.355 35.028 -3.306 1.00 0.00 C ATOM 1168 C GLY A 75 0.394 35.125 -4.609 1.00 0.00 C ATOM 1169 O GLY A 75 -0.193 34.969 -5.684 1.00 0.00 O ATOM 0 H GLY A 75 -2.145 34.887 -4.357 1.00 0.00 H new ATOM 0 HA2 GLY A 75 0.045 35.757 -2.601 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.199 34.042 -2.868 1.00 0.00 H new ATOM 1173 N GLU A 76 1.675 35.397 -4.523 1.00 0.00 N ATOM 1174 CA GLU A 76 2.532 35.516 -5.670 1.00 0.00 C ATOM 1175 C GLU A 76 3.252 34.210 -5.920 1.00 0.00 C ATOM 1176 O GLU A 76 3.472 33.445 -4.978 1.00 0.00 O ATOM 1177 CB GLU A 76 3.541 36.628 -5.461 1.00 0.00 C ATOM 1178 CG GLU A 76 2.924 38.003 -5.331 1.00 0.00 C ATOM 1179 CD GLU A 76 3.965 39.088 -5.309 1.00 0.00 C ATOM 1180 OE1 GLU A 76 4.459 39.425 -4.215 1.00 0.00 O ATOM 1181 OE2 GLU A 76 4.302 39.609 -6.389 1.00 0.00 O ATOM 0 H GLU A 76 2.156 35.544 -3.635 1.00 0.00 H new ATOM 0 HA GLU A 76 1.918 35.756 -6.538 1.00 0.00 H new ATOM 0 HB2 GLU A 76 4.120 36.415 -4.563 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.240 36.632 -6.297 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.240 38.174 -6.163 1.00 0.00 H new ATOM 0 HG3 GLU A 76 2.332 38.050 -4.417 1.00 0.00 H new ATOM 1188 N CYS A 77 3.523 33.924 -7.204 1.00 0.00 N ATOM 1189 CA CYS A 77 4.270 32.718 -7.636 1.00 0.00 C ATOM 1190 C CYS A 77 5.288 32.283 -6.580 1.00 0.00 C ATOM 1191 O CYS A 77 6.008 33.114 -6.015 1.00 0.00 O ATOM 1192 CB CYS A 77 4.994 33.008 -8.967 1.00 0.00 C ATOM 1193 SG CYS A 77 6.027 31.640 -9.607 1.00 0.00 S ATOM 0 H CYS A 77 3.232 34.521 -7.978 1.00 0.00 H new ATOM 0 HA CYS A 77 3.555 31.906 -7.771 1.00 0.00 H new ATOM 0 HB2 CYS A 77 4.248 33.261 -9.720 1.00 0.00 H new ATOM 0 HB3 CYS A 77 5.625 33.887 -8.835 1.00 0.00 H new ATOM 1198 N ASP A 78 5.368 30.990 -6.341 1.00 0.00 N ATOM 1199 CA ASP A 78 6.245 30.475 -5.315 1.00 0.00 C ATOM 1200 C ASP A 78 7.663 30.462 -5.815 1.00 0.00 C ATOM 1201 O ASP A 78 7.981 29.844 -6.827 1.00 0.00 O ATOM 1202 CB ASP A 78 5.812 29.092 -4.839 1.00 0.00 C ATOM 1203 CG ASP A 78 4.551 29.143 -4.000 1.00 0.00 C ATOM 1204 OD1 ASP A 78 4.593 29.726 -2.893 1.00 0.00 O ATOM 1205 OD2 ASP A 78 3.513 28.601 -4.438 1.00 0.00 O ATOM 0 H ASP A 78 4.836 30.279 -6.844 1.00 0.00 H new ATOM 0 HA ASP A 78 6.183 31.136 -4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 78 5.646 28.448 -5.703 1.00 0.00 H new ATOM 0 HB3 ASP A 78 6.616 28.642 -4.256 1.00 0.00 H new ATOM 1210 N LEU A 79 8.494 31.147 -5.097 1.00 0.00 N ATOM 1211 CA LEU A 79 9.869 31.371 -5.503 1.00 0.00 C ATOM 1212 C LEU A 79 10.695 30.117 -5.419 1.00 0.00 C ATOM 1213 O LEU A 79 11.599 29.902 -6.225 1.00 0.00 O ATOM 1214 CB LEU A 79 10.473 32.415 -4.610 1.00 0.00 C ATOM 1215 CG LEU A 79 9.603 33.638 -4.385 1.00 0.00 C ATOM 1216 CD1 LEU A 79 10.192 34.526 -3.305 1.00 0.00 C ATOM 1217 CD2 LEU A 79 9.414 34.416 -5.679 1.00 0.00 C ATOM 0 H LEU A 79 8.249 31.575 -4.204 1.00 0.00 H new ATOM 0 HA LEU A 79 9.864 31.698 -6.543 1.00 0.00 H new ATOM 0 HB2 LEU A 79 10.696 31.962 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 79 11.422 32.735 -5.039 1.00 0.00 H new ATOM 0 HG LEU A 79 8.623 33.298 -4.049 1.00 0.00 H new ATOM 0 HD11 LEU A 79 9.552 35.396 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 79 10.261 33.967 -2.372 1.00 0.00 H new ATOM 0 HD13 LEU A 79 11.187 34.853 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 79 8.787 35.288 -5.491 1.00 0.00 H new ATOM 0 HD22 LEU A 79 10.385 34.741 -6.053 1.00 0.00 H new ATOM 0 HD23 LEU A 79 8.935 33.777 -6.421 1.00 0.00 H new ATOM 1229 N ASN A 80 10.376 29.288 -4.461 1.00 0.00 N ATOM 1230 CA ASN A 80 11.103 28.061 -4.270 1.00 0.00 C ATOM 1231 C ASN A 80 10.801 27.064 -5.361 1.00 0.00 C ATOM 1232 O ASN A 80 11.688 26.348 -5.824 1.00 0.00 O ATOM 1233 CB ASN A 80 10.761 27.447 -2.906 1.00 0.00 C ATOM 1234 CG ASN A 80 11.466 26.119 -2.660 1.00 0.00 C ATOM 1235 OD1 ASN A 80 12.601 25.909 -3.093 1.00 0.00 O ATOM 1236 ND2 ASN A 80 10.791 25.213 -1.983 1.00 0.00 N ATOM 0 H ASN A 80 9.615 29.441 -3.799 1.00 0.00 H new ATOM 0 HA ASN A 80 12.166 28.300 -4.308 1.00 0.00 H new ATOM 0 HB2 ASN A 80 11.034 28.149 -2.118 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.683 27.298 -2.840 1.00 0.00 H new ATOM 0 HD21 ASN A 80 11.206 24.299 -1.800 1.00 0.00 H new ATOM 0 HD22 ASN A 80 9.854 25.425 -1.641 1.00 0.00 H new ATOM 1243 N THR A 81 9.567 27.027 -5.795 1.00 0.00 N ATOM 1244 CA THR A 81 9.150 25.985 -6.721 1.00 0.00 C ATOM 1245 C THR A 81 9.006 26.488 -8.145 1.00 0.00 C ATOM 1246 O THR A 81 8.851 25.691 -9.075 1.00 0.00 O ATOM 1247 CB THR A 81 7.816 25.384 -6.258 1.00 0.00 C ATOM 1248 OG1 THR A 81 6.827 26.417 -6.206 1.00 0.00 O ATOM 1249 CG2 THR A 81 7.966 24.774 -4.874 1.00 0.00 C ATOM 0 H THR A 81 8.838 27.691 -5.532 1.00 0.00 H new ATOM 0 HA THR A 81 9.933 25.227 -6.720 1.00 0.00 H new ATOM 0 HB THR A 81 7.514 24.608 -6.961 1.00 0.00 H new ATOM 0 HG1 THR A 81 5.973 26.037 -5.912 1.00 0.00 H new ATOM 0 HG21 THR A 81 7.013 24.351 -4.557 1.00 0.00 H new ATOM 0 HG22 THR A 81 8.720 23.987 -4.903 1.00 0.00 H new ATOM 0 HG23 THR A 81 8.273 25.545 -4.168 1.00 0.00 H new ATOM 1257 N ALA A 82 9.111 27.796 -8.313 1.00 0.00 N ATOM 1258 CA ALA A 82 8.900 28.446 -9.602 1.00 0.00 C ATOM 1259 C ALA A 82 7.506 28.123 -10.144 1.00 0.00 C ATOM 1260 O ALA A 82 7.306 27.987 -11.347 1.00 0.00 O ATOM 1261 CB ALA A 82 9.988 28.054 -10.601 1.00 0.00 C ATOM 0 H ALA A 82 9.346 28.441 -7.559 1.00 0.00 H new ATOM 0 HA ALA A 82 8.964 29.524 -9.455 1.00 0.00 H new ATOM 0 HB1 ALA A 82 9.805 28.553 -11.553 1.00 0.00 H new ATOM 0 HB2 ALA A 82 10.962 28.355 -10.215 1.00 0.00 H new ATOM 0 HB3 ALA A 82 9.974 26.974 -10.749 1.00 0.00 H new ATOM 1267 N LEU A 83 6.560 28.002 -9.235 1.00 0.00 N ATOM 1268 CA LEU A 83 5.185 27.659 -9.589 1.00 0.00 C ATOM 1269 C LEU A 83 4.219 28.648 -9.017 1.00 0.00 C ATOM 1270 O LEU A 83 4.438 29.183 -7.945 1.00 0.00 O ATOM 1271 CB LEU A 83 4.847 26.249 -9.116 1.00 0.00 C ATOM 1272 CG LEU A 83 5.852 25.161 -9.505 1.00 0.00 C ATOM 1273 CD1 LEU A 83 5.434 23.831 -8.936 1.00 0.00 C ATOM 1274 CD2 LEU A 83 5.990 25.058 -11.013 1.00 0.00 C ATOM 0 H LEU A 83 6.714 28.136 -8.236 1.00 0.00 H new ATOM 0 HA LEU A 83 5.099 27.692 -10.675 1.00 0.00 H new ATOM 0 HB2 LEU A 83 4.755 26.262 -8.030 1.00 0.00 H new ATOM 0 HB3 LEU A 83 3.870 25.976 -9.515 1.00 0.00 H new ATOM 0 HG LEU A 83 6.821 25.438 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 83 6.159 23.069 -9.222 1.00 0.00 H new ATOM 0 HD12 LEU A 83 5.388 23.899 -7.849 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.452 23.561 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 83 6.710 24.278 -11.260 1.00 0.00 H new ATOM 0 HD22 LEU A 83 5.023 24.811 -11.451 1.00 0.00 H new ATOM 0 HD23 LEU A 83 6.337 26.011 -11.413 1.00 0.00 H new ATOM 1286 N LYS A 84 3.143 28.882 -9.722 1.00 0.00 N ATOM 1287 CA LYS A 84 2.171 29.840 -9.287 1.00 0.00 C ATOM 1288 C LYS A 84 0.807 29.211 -9.198 1.00 0.00 C ATOM 1289 O LYS A 84 0.404 28.454 -10.076 1.00 0.00 O ATOM 1290 CB LYS A 84 2.132 31.027 -10.245 1.00 0.00 C ATOM 1291 CG LYS A 84 1.384 32.214 -9.698 1.00 0.00 C ATOM 1292 CD LYS A 84 1.482 33.418 -10.626 1.00 0.00 C ATOM 1293 CE LYS A 84 0.850 34.656 -10.002 1.00 0.00 C ATOM 1294 NZ LYS A 84 1.089 35.878 -10.819 1.00 0.00 N ATOM 0 H LYS A 84 2.921 28.418 -10.603 1.00 0.00 H new ATOM 0 HA LYS A 84 2.459 30.191 -8.296 1.00 0.00 H new ATOM 0 HB2 LYS A 84 3.153 31.328 -10.481 1.00 0.00 H new ATOM 0 HB3 LYS A 84 1.668 30.714 -11.180 1.00 0.00 H new ATOM 0 HG2 LYS A 84 0.336 31.949 -9.555 1.00 0.00 H new ATOM 0 HG3 LYS A 84 1.784 32.476 -8.718 1.00 0.00 H new ATOM 0 HD2 LYS A 84 2.529 33.618 -10.855 1.00 0.00 H new ATOM 0 HD3 LYS A 84 0.987 33.192 -11.570 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -0.223 34.498 -9.891 1.00 0.00 H new ATOM 0 HE3 LYS A 84 1.255 34.804 -9.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 0.642 36.696 -10.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 2.112 36.044 -10.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 0.680 35.748 -11.766 1.00 0.00 H new ATOM 1308 N THR A 85 0.103 29.524 -8.148 1.00 0.00 N ATOM 1309 CA THR A 85 -1.236 29.034 -7.955 1.00 0.00 C ATOM 1310 C THR A 85 -2.196 30.212 -7.885 1.00 0.00 C ATOM 1311 O THR A 85 -1.850 31.273 -7.363 1.00 0.00 O ATOM 1312 CB THR A 85 -1.348 28.196 -6.670 1.00 0.00 C ATOM 1313 OG1 THR A 85 -0.381 27.132 -6.700 1.00 0.00 O ATOM 1314 CG2 THR A 85 -2.739 27.598 -6.522 1.00 0.00 C ATOM 0 H THR A 85 0.440 30.128 -7.398 1.00 0.00 H new ATOM 0 HA THR A 85 -1.492 28.391 -8.797 1.00 0.00 H new ATOM 0 HB THR A 85 -1.159 28.854 -5.821 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.738 26.380 -7.218 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.787 27.011 -5.605 1.00 0.00 H new ATOM 0 HG22 THR A 85 -3.477 28.399 -6.479 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.951 26.954 -7.376 1.00 0.00 H new ATOM 1322 N ARG A 86 -3.378 30.038 -8.426 1.00 0.00 N ATOM 1323 CA ARG A 86 -4.379 31.085 -8.436 1.00 0.00 C ATOM 1324 C ARG A 86 -5.715 30.505 -8.036 1.00 0.00 C ATOM 1325 O ARG A 86 -6.050 29.381 -8.418 1.00 0.00 O ATOM 1326 CB ARG A 86 -4.490 31.743 -9.821 1.00 0.00 C ATOM 1327 CG ARG A 86 -3.248 32.513 -10.254 1.00 0.00 C ATOM 1328 CD ARG A 86 -3.483 33.266 -11.559 1.00 0.00 C ATOM 1329 NE ARG A 86 -3.805 32.366 -12.674 1.00 0.00 N ATOM 1330 CZ ARG A 86 -4.149 32.779 -13.903 1.00 0.00 C ATOM 1331 NH1 ARG A 86 -4.228 34.081 -14.179 1.00 0.00 N ATOM 1332 NH2 ARG A 86 -4.418 31.888 -14.857 1.00 0.00 N ATOM 0 H ARG A 86 -3.675 29.170 -8.871 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.078 31.853 -7.724 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.700 30.971 -10.561 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -5.342 32.423 -9.819 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.965 33.218 -9.472 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -2.415 31.821 -10.377 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -4.297 33.978 -11.423 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.593 33.844 -11.807 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.764 31.361 -12.503 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.026 34.769 -13.454 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -4.490 34.389 -15.115 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -4.362 30.890 -14.653 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.679 32.204 -15.791 1.00 0.00 H new ATOM 1346 N THR A 87 -6.461 31.247 -7.259 1.00 0.00 N ATOM 1347 CA THR A 87 -7.756 30.805 -6.819 1.00 0.00 C ATOM 1348 C THR A 87 -8.824 31.638 -7.506 1.00 0.00 C ATOM 1349 O THR A 87 -8.636 32.831 -7.721 1.00 0.00 O ATOM 1350 CB THR A 87 -7.887 30.946 -5.292 1.00 0.00 C ATOM 1351 OG1 THR A 87 -6.688 30.470 -4.666 1.00 0.00 O ATOM 1352 CG2 THR A 87 -9.076 30.144 -4.770 1.00 0.00 C ATOM 0 H THR A 87 -6.189 32.168 -6.916 1.00 0.00 H new ATOM 0 HA THR A 87 -7.881 29.754 -7.078 1.00 0.00 H new ATOM 0 HB THR A 87 -8.045 31.998 -5.055 1.00 0.00 H new ATOM 0 HG1 THR A 87 -6.769 30.560 -3.694 1.00 0.00 H new ATOM 0 HG21 THR A 87 -9.147 30.260 -3.689 1.00 0.00 H new ATOM 0 HG22 THR A 87 -9.992 30.508 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 87 -8.939 29.090 -5.013 1.00 0.00 H new ATOM 1360 N GLY A 88 -9.929 31.028 -7.842 1.00 0.00 N ATOM 1361 CA GLY A 88 -10.971 31.736 -8.520 1.00 0.00 C ATOM 1362 C GLY A 88 -12.319 31.403 -7.951 1.00 0.00 C ATOM 1363 O GLY A 88 -12.457 30.449 -7.181 1.00 0.00 O ATOM 0 H GLY A 88 -10.127 30.045 -7.656 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -10.796 32.809 -8.440 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -10.951 31.488 -9.581 1.00 0.00 H new ATOM 1367 N SER A 89 -13.300 32.176 -8.317 1.00 0.00 N ATOM 1368 CA SER A 89 -14.649 31.973 -7.844 1.00 0.00 C ATOM 1369 C SER A 89 -15.629 32.089 -8.972 1.00 0.00 C ATOM 1370 O SER A 89 -15.430 32.885 -9.903 1.00 0.00 O ATOM 1371 CB SER A 89 -14.969 32.975 -6.732 1.00 0.00 C ATOM 1372 OG SER A 89 -14.504 34.278 -7.071 1.00 0.00 O ATOM 0 H SER A 89 -13.193 32.967 -8.952 1.00 0.00 H new ATOM 0 HA SER A 89 -14.731 30.966 -7.436 1.00 0.00 H new ATOM 0 HB2 SER A 89 -16.045 33.002 -6.560 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.506 32.650 -5.800 1.00 0.00 H new ATOM 0 HG SER A 89 -14.721 34.901 -6.347 1.00 0.00 H new ATOM 1378 N LEU A 90 -16.671 31.280 -8.915 1.00 0.00 N ATOM 1379 CA LEU A 90 -17.688 31.309 -9.890 1.00 0.00 C ATOM 1380 C LEU A 90 -18.485 32.603 -9.709 1.00 0.00 C ATOM 1381 O LEU A 90 -19.001 32.876 -8.626 1.00 0.00 O ATOM 1382 CB LEU A 90 -18.547 30.043 -9.705 1.00 0.00 C ATOM 1383 CG LEU A 90 -19.603 29.730 -10.759 1.00 0.00 C ATOM 1384 CD1 LEU A 90 -20.688 30.746 -10.735 1.00 0.00 C ATOM 1385 CD2 LEU A 90 -18.987 29.660 -12.140 1.00 0.00 C ATOM 0 H LEU A 90 -16.815 30.589 -8.178 1.00 0.00 H new ATOM 0 HA LEU A 90 -17.298 31.305 -10.908 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -17.873 29.189 -9.645 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -19.051 30.120 -8.741 1.00 0.00 H new ATOM 0 HG LEU A 90 -20.031 28.756 -10.522 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -21.431 30.503 -11.495 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -21.161 30.750 -9.753 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -20.269 31.731 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -19.762 29.435 -12.873 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -18.526 30.618 -12.382 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -18.229 28.877 -12.161 1.00 0.00 H new ATOM 1397 N LYS A 91 -18.555 33.401 -10.757 1.00 0.00 N ATOM 1398 CA LYS A 91 -19.238 34.684 -10.685 1.00 0.00 C ATOM 1399 C LYS A 91 -20.649 34.574 -11.221 1.00 0.00 C ATOM 1400 O LYS A 91 -21.575 35.190 -10.696 1.00 0.00 O ATOM 1401 CB LYS A 91 -18.453 35.754 -11.444 1.00 0.00 C ATOM 1402 CG LYS A 91 -17.063 36.003 -10.878 1.00 0.00 C ATOM 1403 CD LYS A 91 -17.131 36.484 -9.434 1.00 0.00 C ATOM 1404 CE LYS A 91 -15.747 36.670 -8.839 1.00 0.00 C ATOM 1405 NZ LYS A 91 -15.807 37.244 -7.475 1.00 0.00 N ATOM 0 H LYS A 91 -18.149 33.187 -11.668 1.00 0.00 H new ATOM 0 HA LYS A 91 -19.297 34.980 -9.638 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -18.363 35.455 -12.488 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -19.016 36.687 -11.427 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -16.477 35.085 -10.931 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -16.548 36.746 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -17.676 37.427 -9.390 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -17.690 35.764 -8.836 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -15.233 35.709 -8.807 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -15.159 37.324 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.842 37.356 -7.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -16.275 38.172 -7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -16.346 36.607 -6.854 1.00 0.00 H new ATOM 1419 N ARG A 92 -20.811 33.784 -12.263 1.00 0.00 N ATOM 1420 CA ARG A 92 -22.108 33.568 -12.854 1.00 0.00 C ATOM 1421 C ARG A 92 -22.136 32.245 -13.584 1.00 0.00 C ATOM 1422 O ARG A 92 -21.191 31.900 -14.306 1.00 0.00 O ATOM 1423 CB ARG A 92 -22.483 34.702 -13.806 1.00 0.00 C ATOM 1424 CG ARG A 92 -23.877 34.556 -14.401 1.00 0.00 C ATOM 1425 CD ARG A 92 -24.254 35.761 -15.229 1.00 0.00 C ATOM 1426 NE ARG A 92 -23.332 35.970 -16.345 1.00 0.00 N ATOM 1427 CZ ARG A 92 -23.060 37.155 -16.888 1.00 0.00 C ATOM 1428 NH1 ARG A 92 -23.666 38.250 -16.444 1.00 0.00 N ATOM 1429 NH2 ARG A 92 -22.186 37.239 -17.884 1.00 0.00 N ATOM 0 H ARG A 92 -20.051 33.279 -12.718 1.00 0.00 H new ATOM 0 HA ARG A 92 -22.843 33.548 -12.049 1.00 0.00 H new ATOM 0 HB2 ARG A 92 -22.421 35.650 -13.272 1.00 0.00 H new ATOM 0 HB3 ARG A 92 -21.753 34.744 -14.615 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -23.917 33.660 -15.021 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -24.604 34.422 -13.600 1.00 0.00 H new ATOM 0 HD2 ARG A 92 -25.266 35.634 -15.614 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -24.263 36.648 -14.595 1.00 0.00 H new ATOM 0 HE ARG A 92 -22.865 35.151 -16.734 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -24.343 38.186 -15.684 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -23.454 39.156 -16.863 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -21.725 36.398 -18.231 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -21.975 38.145 -18.302 1.00 0.00 H new ATOM 1443 N ALA A 93 -23.195 31.505 -13.378 1.00 0.00 N ATOM 1444 CA ALA A 93 -23.387 30.236 -14.031 1.00 0.00 C ATOM 1445 C ALA A 93 -24.724 30.247 -14.719 1.00 0.00 C ATOM 1446 O ALA A 93 -25.671 30.853 -14.220 1.00 0.00 O ATOM 1447 CB ALA A 93 -23.319 29.098 -13.021 1.00 0.00 C ATOM 0 H ALA A 93 -23.953 31.768 -12.748 1.00 0.00 H new ATOM 0 HA ALA A 93 -22.596 30.079 -14.764 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -23.466 28.147 -13.534 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -22.343 29.101 -12.535 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -24.099 29.230 -12.271 1.00 0.00 H new ATOM 1453 N LEU A 94 -24.812 29.605 -15.858 1.00 0.00 N ATOM 1454 CA LEU A 94 -26.057 29.568 -16.587 1.00 0.00 C ATOM 1455 C LEU A 94 -26.927 28.430 -16.135 1.00 0.00 C ATOM 1456 O LEU A 94 -26.523 27.597 -15.324 1.00 0.00 O ATOM 1457 CB LEU A 94 -25.824 29.490 -18.090 1.00 0.00 C ATOM 1458 CG LEU A 94 -25.426 30.796 -18.750 1.00 0.00 C ATOM 1459 CD1 LEU A 94 -24.968 30.563 -20.178 1.00 0.00 C ATOM 1460 CD2 LEU A 94 -26.578 31.791 -18.720 1.00 0.00 C ATOM 0 H LEU A 94 -24.041 29.103 -16.299 1.00 0.00 H new ATOM 0 HA LEU A 94 -26.577 30.501 -16.371 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -25.046 28.752 -18.283 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -26.735 29.124 -18.564 1.00 0.00 H new ATOM 0 HG LEU A 94 -24.593 31.215 -18.186 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -24.688 31.514 -20.630 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -24.108 29.893 -20.180 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -25.779 30.114 -20.751 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -26.269 32.720 -19.199 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -27.432 31.375 -19.253 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -26.859 31.992 -17.686 1.00 0.00 H new ATOM 1472 N HIS A 95 -28.114 28.399 -16.666 1.00 0.00 N ATOM 1473 CA HIS A 95 -29.091 27.378 -16.308 1.00 0.00 C ATOM 1474 C HIS A 95 -28.735 26.028 -16.916 1.00 0.00 C ATOM 1475 O HIS A 95 -29.087 24.982 -16.380 1.00 0.00 O ATOM 1476 CB HIS A 95 -30.520 27.803 -16.708 1.00 0.00 C ATOM 1477 CG HIS A 95 -30.729 28.051 -18.179 1.00 0.00 C ATOM 1478 ND1 HIS A 95 -30.793 29.309 -18.728 1.00 0.00 N ATOM 1479 CD2 HIS A 95 -30.904 27.190 -19.210 1.00 0.00 C ATOM 1480 CE1 HIS A 95 -30.996 29.213 -20.025 1.00 0.00 C ATOM 1481 NE2 HIS A 95 -31.068 27.937 -20.344 1.00 0.00 N ATOM 0 H HIS A 95 -28.444 29.072 -17.358 1.00 0.00 H new ATOM 0 HA HIS A 95 -29.065 27.271 -15.224 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -31.216 27.029 -16.384 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -30.777 28.711 -16.163 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -30.912 26.112 -19.148 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -31.088 30.041 -20.712 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -31.221 27.567 -21.282 1.00 0.00 H new ATOM 1490 N ASN A 96 -28.025 26.054 -18.026 1.00 0.00 N ATOM 1491 CA ASN A 96 -27.627 24.826 -18.698 1.00 0.00 C ATOM 1492 C ASN A 96 -26.146 24.567 -18.449 1.00 0.00 C ATOM 1493 O ASN A 96 -25.431 24.049 -19.302 1.00 0.00 O ATOM 1494 CB ASN A 96 -27.927 24.929 -20.204 1.00 0.00 C ATOM 1495 CG ASN A 96 -27.934 23.582 -20.915 1.00 0.00 C ATOM 1496 OD1 ASN A 96 -28.951 22.892 -20.948 1.00 0.00 O ATOM 1497 ND2 ASN A 96 -26.816 23.217 -21.510 1.00 0.00 N ATOM 0 H ASN A 96 -27.710 26.909 -18.484 1.00 0.00 H new ATOM 0 HA ASN A 96 -28.197 23.987 -18.298 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -28.896 25.409 -20.341 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -27.183 25.574 -20.671 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -26.774 22.335 -22.020 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -25.992 23.817 -21.460 1.00 0.00 H new ATOM 1504 N ALA A 97 -25.704 24.908 -17.260 1.00 0.00 N ATOM 1505 CA ALA A 97 -24.313 24.742 -16.884 1.00 0.00 C ATOM 1506 C ALA A 97 -24.172 24.591 -15.377 1.00 0.00 C ATOM 1507 O ALA A 97 -24.798 25.321 -14.609 1.00 0.00 O ATOM 1508 CB ALA A 97 -23.492 25.924 -17.373 1.00 0.00 C ATOM 0 H ALA A 97 -26.292 25.306 -16.528 1.00 0.00 H new ATOM 0 HA ALA A 97 -23.939 23.833 -17.354 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -22.450 25.787 -17.084 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -23.562 25.991 -18.459 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -23.875 26.842 -16.927 1.00 0.00 H new ATOM 1514 N GLU A 98 -23.377 23.631 -14.962 1.00 0.00 N ATOM 1515 CA GLU A 98 -23.111 23.415 -13.553 1.00 0.00 C ATOM 1516 C GLU A 98 -21.666 23.746 -13.251 1.00 0.00 C ATOM 1517 O GLU A 98 -20.756 23.169 -13.849 1.00 0.00 O ATOM 1518 CB GLU A 98 -23.401 21.970 -13.161 1.00 0.00 C ATOM 1519 CG GLU A 98 -24.840 21.547 -13.366 1.00 0.00 C ATOM 1520 CD GLU A 98 -25.071 20.121 -12.951 1.00 0.00 C ATOM 1521 OE1 GLU A 98 -24.919 19.224 -13.797 1.00 0.00 O ATOM 1522 OE2 GLU A 98 -25.394 19.886 -11.767 1.00 0.00 O ATOM 0 H GLU A 98 -22.898 22.980 -15.585 1.00 0.00 H new ATOM 0 HA GLU A 98 -23.765 24.067 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -22.755 21.311 -13.741 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -23.139 21.831 -12.112 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -25.496 22.202 -12.793 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -25.107 21.667 -14.416 1.00 0.00 H new ATOM 1529 N CYS A 99 -21.449 24.665 -12.335 1.00 0.00 N ATOM 1530 CA CYS A 99 -20.108 25.067 -11.997 1.00 0.00 C ATOM 1531 C CYS A 99 -19.946 25.272 -10.500 1.00 0.00 C ATOM 1532 O CYS A 99 -20.851 25.758 -9.821 1.00 0.00 O ATOM 1533 CB CYS A 99 -19.725 26.342 -12.751 1.00 0.00 C ATOM 1534 SG CYS A 99 -19.702 26.170 -14.571 1.00 0.00 S ATOM 0 H CYS A 99 -22.184 25.144 -11.815 1.00 0.00 H new ATOM 0 HA CYS A 99 -19.437 24.262 -12.298 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -20.426 27.132 -12.482 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -18.739 26.664 -12.417 1.00 0.00 H new ATOM 1539 N GLN A 100 -18.798 24.860 -10.009 1.00 0.00 N ATOM 1540 CA GLN A 100 -18.412 25.030 -8.613 1.00 0.00 C ATOM 1541 C GLN A 100 -18.173 26.499 -8.293 1.00 0.00 C ATOM 1542 O GLN A 100 -17.824 27.282 -9.172 1.00 0.00 O ATOM 1543 CB GLN A 100 -17.150 24.235 -8.305 1.00 0.00 C ATOM 1544 CG GLN A 100 -16.013 24.532 -9.259 1.00 0.00 C ATOM 1545 CD GLN A 100 -16.094 23.703 -10.533 1.00 0.00 C ATOM 1546 OE1 GLN A 100 -16.599 22.584 -10.529 1.00 0.00 O ATOM 1547 NE2 GLN A 100 -15.620 24.252 -11.627 1.00 0.00 N ATOM 0 H GLN A 100 -18.090 24.389 -10.572 1.00 0.00 H new ATOM 0 HA GLN A 100 -19.230 24.660 -7.995 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.829 24.455 -7.287 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -17.380 23.170 -8.344 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -16.025 25.591 -9.516 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -15.064 24.336 -8.761 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -15.207 25.184 -11.592 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -15.664 23.747 -12.512 1.00 0.00 H new ATOM 1556 N LYS A 101 -18.340 26.852 -7.024 1.00 0.00 N ATOM 1557 CA LYS A 101 -18.239 28.220 -6.567 1.00 0.00 C ATOM 1558 C LYS A 101 -16.792 28.692 -6.530 1.00 0.00 C ATOM 1559 O LYS A 101 -16.531 29.881 -6.632 1.00 0.00 O ATOM 1560 CB LYS A 101 -18.887 28.384 -5.184 1.00 0.00 C ATOM 1561 CG LYS A 101 -18.352 27.427 -4.124 1.00 0.00 C ATOM 1562 CD LYS A 101 -18.949 27.723 -2.758 1.00 0.00 C ATOM 1563 CE LYS A 101 -18.588 26.648 -1.740 1.00 0.00 C ATOM 1564 NZ LYS A 101 -19.211 25.332 -2.064 1.00 0.00 N ATOM 0 H LYS A 101 -18.551 26.185 -6.281 1.00 0.00 H new ATOM 0 HA LYS A 101 -18.778 28.842 -7.282 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -18.734 29.408 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -19.963 28.237 -5.280 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -18.582 26.400 -4.409 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -17.266 27.508 -4.073 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -18.592 28.691 -2.407 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -20.033 27.795 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -17.504 26.535 -1.702 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -18.910 26.966 -0.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -19.171 24.714 -1.229 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -20.203 25.476 -2.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -18.694 24.887 -2.849 1.00 0.00 H new ATOM 1578 N THR A 102 -15.854 27.775 -6.367 1.00 0.00 N ATOM 1579 CA THR A 102 -14.462 28.154 -6.337 1.00 0.00 C ATOM 1580 C THR A 102 -13.589 27.146 -7.072 1.00 0.00 C ATOM 1581 O THR A 102 -13.911 25.959 -7.151 1.00 0.00 O ATOM 1582 CB THR A 102 -13.947 28.353 -4.884 1.00 0.00 C ATOM 1583 OG1 THR A 102 -12.586 28.813 -4.892 1.00 0.00 O ATOM 1584 CG2 THR A 102 -14.051 27.063 -4.078 1.00 0.00 C ATOM 0 H THR A 102 -16.032 26.777 -6.255 1.00 0.00 H new ATOM 0 HA THR A 102 -14.390 29.110 -6.855 1.00 0.00 H new ATOM 0 HB THR A 102 -14.577 29.106 -4.410 1.00 0.00 H new ATOM 0 HG1 THR A 102 -12.443 29.397 -5.666 1.00 0.00 H new ATOM 0 HG21 THR A 102 -13.683 27.235 -3.067 1.00 0.00 H new ATOM 0 HG22 THR A 102 -15.092 26.743 -4.036 1.00 0.00 H new ATOM 0 HG23 THR A 102 -13.452 26.287 -4.555 1.00 0.00 H new ATOM 1592 N VAL A 103 -12.497 27.646 -7.608 1.00 0.00 N ATOM 1593 CA VAL A 103 -11.532 26.838 -8.339 1.00 0.00 C ATOM 1594 C VAL A 103 -10.117 27.234 -7.997 1.00 0.00 C ATOM 1595 O VAL A 103 -9.843 28.378 -7.649 1.00 0.00 O ATOM 1596 CB VAL A 103 -11.723 26.937 -9.879 1.00 0.00 C ATOM 1597 CG1 VAL A 103 -13.003 26.244 -10.317 1.00 0.00 C ATOM 1598 CG2 VAL A 103 -11.722 28.393 -10.333 1.00 0.00 C ATOM 0 H VAL A 103 -12.247 28.633 -7.551 1.00 0.00 H new ATOM 0 HA VAL A 103 -11.710 25.807 -8.033 1.00 0.00 H new ATOM 0 HB VAL A 103 -10.883 26.428 -10.352 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -13.111 26.329 -11.398 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -12.960 25.191 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -13.857 26.714 -9.829 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -11.857 28.437 -11.414 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -12.536 28.927 -9.843 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.772 28.856 -10.067 1.00 0.00 H new ATOM 1608 N THR A 104 -9.241 26.275 -8.061 1.00 0.00 N ATOM 1609 CA THR A 104 -7.846 26.491 -7.810 1.00 0.00 C ATOM 1610 C THR A 104 -7.027 25.904 -8.957 1.00 0.00 C ATOM 1611 O THR A 104 -7.318 24.802 -9.429 1.00 0.00 O ATOM 1612 CB THR A 104 -7.434 25.845 -6.478 1.00 0.00 C ATOM 1613 OG1 THR A 104 -8.170 26.455 -5.403 1.00 0.00 O ATOM 1614 CG2 THR A 104 -5.941 25.991 -6.224 1.00 0.00 C ATOM 0 H THR A 104 -9.477 25.310 -8.292 1.00 0.00 H new ATOM 0 HA THR A 104 -7.657 27.562 -7.743 1.00 0.00 H new ATOM 0 HB THR A 104 -7.662 24.780 -6.532 1.00 0.00 H new ATOM 0 HG1 THR A 104 -7.909 26.043 -4.553 1.00 0.00 H new ATOM 0 HG21 THR A 104 -5.686 25.523 -5.273 1.00 0.00 H new ATOM 0 HG22 THR A 104 -5.386 25.507 -7.028 1.00 0.00 H new ATOM 0 HG23 THR A 104 -5.680 27.049 -6.189 1.00 0.00 H new ATOM 1622 N ILE A 105 -6.028 26.634 -9.408 1.00 0.00 N ATOM 1623 CA ILE A 105 -5.196 26.184 -10.503 1.00 0.00 C ATOM 1624 C ILE A 105 -3.748 26.543 -10.254 1.00 0.00 C ATOM 1625 O ILE A 105 -3.445 27.613 -9.728 1.00 0.00 O ATOM 1626 CB ILE A 105 -5.658 26.787 -11.857 1.00 0.00 C ATOM 1627 CG1 ILE A 105 -4.745 26.335 -13.009 1.00 0.00 C ATOM 1628 CG2 ILE A 105 -5.730 28.312 -11.783 1.00 0.00 C ATOM 1629 CD1 ILE A 105 -5.173 26.844 -14.372 1.00 0.00 C ATOM 0 H ILE A 105 -5.772 27.546 -9.030 1.00 0.00 H new ATOM 0 HA ILE A 105 -5.294 25.100 -10.560 1.00 0.00 H new ATOM 0 HB ILE A 105 -6.661 26.412 -12.061 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -3.729 26.675 -12.808 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -4.718 25.246 -13.031 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -6.056 28.708 -12.745 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -6.440 28.606 -11.010 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -4.745 28.711 -11.541 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -4.479 26.482 -15.130 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -6.176 26.483 -14.597 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -5.172 27.934 -14.370 1.00 0.00 H new ATOM 1641 N SER A 106 -2.864 25.650 -10.617 1.00 0.00 N ATOM 1642 CA SER A 106 -1.450 25.880 -10.469 1.00 0.00 C ATOM 1643 C SER A 106 -0.774 25.786 -11.826 1.00 0.00 C ATOM 1644 O SER A 106 -1.055 24.871 -12.609 1.00 0.00 O ATOM 1645 CB SER A 106 -0.841 24.872 -9.488 1.00 0.00 C ATOM 1646 OG SER A 106 -1.437 24.992 -8.200 1.00 0.00 O ATOM 0 H SER A 106 -3.103 24.745 -11.023 1.00 0.00 H new ATOM 0 HA SER A 106 -1.291 26.880 -10.064 1.00 0.00 H new ATOM 0 HB2 SER A 106 -0.983 23.860 -9.866 1.00 0.00 H new ATOM 0 HB3 SER A 106 0.234 25.036 -9.412 1.00 0.00 H new ATOM 0 HG SER A 106 -1.034 24.338 -7.591 1.00 0.00 H new ATOM 1652 N LYS A 107 0.097 26.728 -12.107 1.00 0.00 N ATOM 1653 CA LYS A 107 0.786 26.778 -13.373 1.00 0.00 C ATOM 1654 C LYS A 107 2.271 27.039 -13.160 1.00 0.00 C ATOM 1655 O LYS A 107 2.643 27.900 -12.359 1.00 0.00 O ATOM 1656 CB LYS A 107 0.201 27.883 -14.256 1.00 0.00 C ATOM 1657 CG LYS A 107 0.849 27.967 -15.626 1.00 0.00 C ATOM 1658 CD LYS A 107 0.525 29.271 -16.322 1.00 0.00 C ATOM 1659 CE LYS A 107 1.203 29.349 -17.680 1.00 0.00 C ATOM 1660 NZ LYS A 107 2.671 29.118 -17.587 1.00 0.00 N ATOM 0 H LYS A 107 0.347 27.480 -11.464 1.00 0.00 H new ATOM 0 HA LYS A 107 0.657 25.815 -13.867 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -0.869 27.712 -14.378 1.00 0.00 H new ATOM 0 HB3 LYS A 107 0.315 28.841 -13.749 1.00 0.00 H new ATOM 0 HG2 LYS A 107 1.930 27.868 -15.524 1.00 0.00 H new ATOM 0 HG3 LYS A 107 0.510 27.133 -16.240 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -0.554 29.363 -16.445 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.848 30.108 -15.702 1.00 0.00 H new ATOM 0 HE2 LYS A 107 0.762 28.609 -18.348 1.00 0.00 H new ATOM 0 HE3 LYS A 107 1.018 30.328 -18.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 3.163 29.736 -18.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.996 29.333 -16.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 2.881 28.124 -17.809 1.00 0.00 H new ATOM 1674 N PRO A 108 3.132 26.279 -13.846 1.00 0.00 N ATOM 1675 CA PRO A 108 4.573 26.501 -13.788 1.00 0.00 C ATOM 1676 C PRO A 108 4.940 27.917 -14.231 1.00 0.00 C ATOM 1677 O PRO A 108 4.471 28.399 -15.277 1.00 0.00 O ATOM 1678 CB PRO A 108 5.145 25.467 -14.765 1.00 0.00 C ATOM 1679 CG PRO A 108 4.086 24.424 -14.882 1.00 0.00 C ATOM 1680 CD PRO A 108 2.780 25.140 -14.711 1.00 0.00 C ATOM 0 HA PRO A 108 4.965 26.396 -12.776 1.00 0.00 H new ATOM 0 HB2 PRO A 108 5.365 25.917 -15.733 1.00 0.00 H new ATOM 0 HB3 PRO A 108 6.077 25.044 -14.391 1.00 0.00 H new ATOM 0 HG2 PRO A 108 4.134 23.926 -15.850 1.00 0.00 H new ATOM 0 HG3 PRO A 108 4.211 23.654 -14.121 1.00 0.00 H new ATOM 0 HD2 PRO A 108 2.374 25.471 -15.667 1.00 0.00 H new ATOM 0 HD3 PRO A 108 2.028 24.501 -14.249 1.00 0.00 H new ATOM 1688 N CYS A 109 5.753 28.583 -13.435 1.00 0.00 N ATOM 1689 CA CYS A 109 6.173 29.946 -13.736 1.00 0.00 C ATOM 1690 C CYS A 109 7.325 29.970 -14.731 1.00 0.00 C ATOM 1691 O CYS A 109 7.874 28.928 -15.103 1.00 0.00 O ATOM 1692 CB CYS A 109 6.566 30.708 -12.458 1.00 0.00 C ATOM 1693 SG CYS A 109 5.163 31.148 -11.382 1.00 0.00 S ATOM 0 H CYS A 109 6.140 28.204 -12.570 1.00 0.00 H new ATOM 0 HA CYS A 109 5.318 30.447 -14.189 1.00 0.00 H new ATOM 0 HB2 CYS A 109 7.268 30.099 -11.888 1.00 0.00 H new ATOM 0 HB3 CYS A 109 7.091 31.620 -12.741 1.00 0.00 H new ATOM 1698 N GLY A 110 7.676 31.166 -15.157 1.00 0.00 N ATOM 1699 CA GLY A 110 8.740 31.359 -16.106 1.00 0.00 C ATOM 1700 C GLY A 110 8.721 32.773 -16.616 1.00 0.00 C ATOM 1701 O GLY A 110 8.325 33.687 -15.882 1.00 0.00 O ATOM 0 H GLY A 110 7.227 32.030 -14.851 1.00 0.00 H new ATOM 0 HA2 GLY A 110 9.700 31.145 -15.637 1.00 0.00 H new ATOM 0 HA3 GLY A 110 8.629 30.662 -16.937 1.00 0.00 H new