USER MOD reduce.3.24.130724 H: found=0, std=0, add=771, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 774 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 70 ASN : amide:sc= -0.248 K(o=-0.25,f=-5.4!) USER MOD Set 1.2: A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -35:sc= 0.349 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -2.67! C(o=-2.7!,f=-5.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 MET CE :methyl -159:sc= -0.762 (180deg=-0.996) USER MOD Single : A 41 THR OG1 : rot -34:sc= 1.11 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 48 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 59 TYR OH : rot -166:sc= 1.21 USER MOD Single : A 61 CYS SG : rot -76:sc= -0.301 USER MOD Single : A 65 TYR OH : rot 120:sc= -0.955 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -96:sc= 0.657 USER MOD Single : A 76 SER OG : rot -156:sc= 0.24 USER MOD Single : A 80 CYS SG : rot -82:sc= 0.572 USER MOD Single : A 81 GLN : amide:sc= -0.127 X(o=-0.13,f=0) USER MOD Single : A 82 THR OG1 : rot 170:sc= 0.138 USER MOD Single : A 84 GLN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 91 CYS SG : rot 180:sc= -0.831 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 99 ASN : amide:sc= -3.5! K(o=-3.5!,f=-2.8) USER MOD Single : A 102 GLN : amide:sc= -0.23 K(o=-0.23,f=-2.3!) USER MOD Single : A 105 MET CE :methyl -179:sc= -0.936 (180deg=-0.936) USER MOD Single : A 106 GLN : amide:sc= -1.47 K(o=-1.5,f=-0.25!) USER MOD Single : A 140 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 CYS SG : rot -70:sc= -1.21 USER MOD Single : A 145 ASN : amide:sc= -0.682 K(o=-0.68,f=-0.014) USER MOD Single : A 147 ASN : amide:sc= -1.49 K(o=-1.5,f=-2.1!) USER MOD Single : A 148 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 19 11.292 -6.501 -2.931 1.00 0.00 N ATOM 235 CA THR A 19 10.262 -6.465 -3.961 1.00 0.00 C ATOM 236 C THR A 19 8.929 -6.971 -3.423 1.00 0.00 C ATOM 237 O THR A 19 7.994 -6.196 -3.221 1.00 0.00 O ATOM 238 CB THR A 19 10.662 -7.309 -5.186 1.00 0.00 C ATOM 239 OG1 THR A 19 11.007 -8.636 -4.775 1.00 0.00 O ATOM 240 CG2 THR A 19 11.837 -6.678 -5.917 1.00 0.00 C ATOM 0 HA THR A 19 10.156 -5.424 -4.266 1.00 0.00 H new ATOM 0 HB THR A 19 9.811 -7.349 -5.865 1.00 0.00 H new ATOM 0 HG1 THR A 19 11.450 -8.603 -3.902 1.00 0.00 H new ATOM 0 HG21 THR A 19 12.102 -7.292 -6.778 1.00 0.00 H new ATOM 0 HG22 THR A 19 11.562 -5.679 -6.254 1.00 0.00 H new ATOM 0 HG23 THR A 19 12.691 -6.611 -5.243 1.00 0.00 H new ATOM 248 N LYS A 20 8.847 -8.277 -3.191 1.00 0.00 N ATOM 249 CA LYS A 20 7.629 -8.888 -2.673 1.00 0.00 C ATOM 250 C LYS A 20 7.344 -8.415 -1.251 1.00 0.00 C ATOM 251 O LYS A 20 8.251 -7.992 -0.534 1.00 0.00 O ATOM 252 CB LYS A 20 7.748 -10.414 -2.700 1.00 0.00 C ATOM 253 CG LYS A 20 7.473 -11.021 -4.065 1.00 0.00 C ATOM 254 CD LYS A 20 7.622 -12.533 -4.043 1.00 0.00 C ATOM 255 CE LYS A 20 7.969 -13.079 -5.420 1.00 0.00 C ATOM 256 NZ LYS A 20 7.847 -14.562 -5.475 1.00 0.00 N ATOM 0 H LYS A 20 9.611 -8.933 -3.354 1.00 0.00 H new ATOM 0 HA LYS A 20 6.800 -8.583 -3.311 1.00 0.00 H new ATOM 0 HB2 LYS A 20 8.751 -10.698 -2.381 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.051 -10.837 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS A 20 6.464 -10.758 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 20 8.160 -10.597 -4.798 1.00 0.00 H new ATOM 0 HD2 LYS A 20 8.400 -12.813 -3.333 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.694 -12.986 -3.694 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.310 -12.632 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 20 8.987 -12.788 -5.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 8.092 -14.895 -6.429 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 8.494 -14.990 -4.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.870 -14.838 -5.252 1.00 0.00 H new ATOM 270 N PHE A 21 6.080 -8.491 -0.849 1.00 0.00 N ATOM 271 CA PHE A 21 5.677 -8.072 0.488 1.00 0.00 C ATOM 272 C PHE A 21 4.397 -8.783 0.918 1.00 0.00 C ATOM 273 O PHE A 21 3.319 -8.525 0.382 1.00 0.00 O ATOM 274 CB PHE A 21 5.470 -6.556 0.529 1.00 0.00 C ATOM 275 CG PHE A 21 6.746 -5.773 0.413 1.00 0.00 C ATOM 276 CD1 PHE A 21 7.629 -5.701 1.478 1.00 0.00 C ATOM 277 CD2 PHE A 21 7.063 -5.110 -0.762 1.00 0.00 C ATOM 278 CE1 PHE A 21 8.805 -4.982 1.374 1.00 0.00 C ATOM 279 CE2 PHE A 21 8.238 -4.390 -0.871 1.00 0.00 C ATOM 280 CZ PHE A 21 9.109 -4.325 0.198 1.00 0.00 C ATOM 0 H PHE A 21 5.317 -8.839 -1.430 1.00 0.00 H new ATOM 0 HA PHE A 21 6.473 -8.343 1.182 1.00 0.00 H new ATOM 0 HB2 PHE A 21 4.801 -6.267 -0.281 1.00 0.00 H new ATOM 0 HB3 PHE A 21 4.974 -6.290 1.462 1.00 0.00 H new ATOM 0 HD1 PHE A 21 7.396 -6.213 2.400 1.00 0.00 H new ATOM 0 HD2 PHE A 21 6.385 -5.156 -1.601 1.00 0.00 H new ATOM 0 HE1 PHE A 21 9.485 -4.934 2.211 1.00 0.00 H new ATOM 0 HE2 PHE A 21 8.475 -3.878 -1.792 1.00 0.00 H new ATOM 0 HZ PHE A 21 10.026 -3.761 0.115 1.00 0.00 H new ATOM 290 N LYS A 22 4.524 -9.680 1.890 1.00 0.00 N ATOM 291 CA LYS A 22 3.379 -10.429 2.395 1.00 0.00 C ATOM 292 C LYS A 22 2.371 -9.499 3.062 1.00 0.00 C ATOM 293 O LYS A 22 2.614 -8.986 4.155 1.00 0.00 O ATOM 294 CB LYS A 22 3.841 -11.496 3.390 1.00 0.00 C ATOM 295 CG LYS A 22 4.254 -12.802 2.733 1.00 0.00 C ATOM 296 CD LYS A 22 5.196 -12.565 1.564 1.00 0.00 C ATOM 297 CE LYS A 22 6.030 -13.800 1.262 1.00 0.00 C ATOM 298 NZ LYS A 22 7.058 -13.533 0.218 1.00 0.00 N ATOM 0 H LYS A 22 5.409 -9.906 2.344 1.00 0.00 H new ATOM 0 HA LYS A 22 2.893 -10.915 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.682 -11.106 3.964 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.036 -11.694 4.098 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.740 -13.443 3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 22 3.367 -13.332 2.385 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.620 -12.289 0.681 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.854 -11.726 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.519 -14.140 2.175 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.377 -14.607 0.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.606 -14.399 0.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.590 -13.233 -0.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.697 -12.780 0.545 1.00 0.00 H new ATOM 312 N VAL A 23 1.239 -9.287 2.399 1.00 0.00 N ATOM 313 CA VAL A 23 0.193 -8.420 2.929 1.00 0.00 C ATOM 314 C VAL A 23 -1.040 -9.225 3.323 1.00 0.00 C ATOM 315 O VAL A 23 -1.152 -10.409 3.001 1.00 0.00 O ATOM 316 CB VAL A 23 -0.215 -7.343 1.907 1.00 0.00 C ATOM 317 CG1 VAL A 23 1.001 -6.551 1.451 1.00 0.00 C ATOM 318 CG2 VAL A 23 -0.924 -7.977 0.720 1.00 0.00 C ATOM 0 H VAL A 23 1.023 -9.704 1.494 1.00 0.00 H new ATOM 0 HA VAL A 23 0.603 -7.933 3.814 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.908 -6.653 2.389 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.693 -5.795 0.729 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.462 -6.065 2.311 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.721 -7.225 0.986 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.205 -7.201 0.008 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.256 -8.690 0.236 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.819 -8.495 1.065 1.00 0.00 H new ATOM 328 N THR A 24 -1.966 -8.576 4.021 1.00 0.00 N ATOM 329 CA THR A 24 -3.192 -9.231 4.460 1.00 0.00 C ATOM 330 C THR A 24 -4.395 -8.309 4.299 1.00 0.00 C ATOM 331 O THR A 24 -4.537 -7.326 5.025 1.00 0.00 O ATOM 332 CB THR A 24 -3.094 -9.678 5.931 1.00 0.00 C ATOM 333 OG1 THR A 24 -1.815 -10.271 6.179 1.00 0.00 O ATOM 334 CG2 THR A 24 -4.195 -10.672 6.268 1.00 0.00 C ATOM 0 H THR A 24 -1.890 -7.596 4.295 1.00 0.00 H new ATOM 0 HA THR A 24 -3.325 -10.110 3.829 1.00 0.00 H new ATOM 0 HB THR A 24 -3.214 -8.799 6.564 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.760 -10.551 7.117 1.00 0.00 H new ATOM 0 HG21 THR A 24 -4.106 -10.974 7.312 1.00 0.00 H new ATOM 0 HG22 THR A 24 -5.167 -10.207 6.107 1.00 0.00 H new ATOM 0 HG23 THR A 24 -4.102 -11.549 5.628 1.00 0.00 H new ATOM 342 N ASN A 25 -5.260 -8.634 3.344 1.00 0.00 N ATOM 343 CA ASN A 25 -6.453 -7.834 3.088 1.00 0.00 C ATOM 344 C ASN A 25 -7.332 -7.755 4.333 1.00 0.00 C ATOM 345 O ASN A 25 -7.613 -8.769 4.972 1.00 0.00 O ATOM 346 CB ASN A 25 -7.249 -8.426 1.924 1.00 0.00 C ATOM 347 CG ASN A 25 -8.614 -7.783 1.770 1.00 0.00 C ATOM 348 OD1 ASN A 25 -9.640 -8.402 2.053 1.00 0.00 O ATOM 349 ND2 ASN A 25 -8.631 -6.534 1.320 1.00 0.00 N ATOM 0 H ASN A 25 -5.158 -9.445 2.735 1.00 0.00 H new ATOM 0 HA ASN A 25 -6.135 -6.825 2.825 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -6.685 -8.300 1.000 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -7.371 -9.498 2.079 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -9.519 -6.049 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -7.756 -6.060 1.098 1.00 0.00 H new ATOM 356 N VAL A 26 -7.763 -6.544 4.670 1.00 0.00 N ATOM 357 CA VAL A 26 -8.612 -6.332 5.836 1.00 0.00 C ATOM 358 C VAL A 26 -9.760 -5.383 5.515 1.00 0.00 C ATOM 359 O VAL A 26 -9.743 -4.694 4.495 1.00 0.00 O ATOM 360 CB VAL A 26 -7.807 -5.764 7.020 1.00 0.00 C ATOM 361 CG1 VAL A 26 -6.726 -6.744 7.450 1.00 0.00 C ATOM 362 CG2 VAL A 26 -7.202 -4.417 6.656 1.00 0.00 C ATOM 0 H VAL A 26 -7.538 -5.695 4.152 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.016 -7.305 6.114 1.00 0.00 H new ATOM 0 HB VAL A 26 -8.486 -5.617 7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.168 -6.326 8.287 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.187 -7.684 7.755 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.048 -6.926 6.617 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -6.637 -4.031 7.504 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.537 -4.536 5.801 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -7.998 -3.717 6.402 1.00 0.00 H new ATOM 372 N ASP A 27 -10.757 -5.351 6.392 1.00 0.00 N ATOM 373 CA ASP A 27 -11.915 -4.485 6.204 1.00 0.00 C ATOM 374 C ASP A 27 -11.688 -3.125 6.855 1.00 0.00 C ATOM 375 O ASP A 27 -10.632 -2.872 7.435 1.00 0.00 O ATOM 376 CB ASP A 27 -13.169 -5.140 6.785 1.00 0.00 C ATOM 377 CG ASP A 27 -13.376 -4.798 8.247 1.00 0.00 C ATOM 378 OD1 ASP A 27 -12.541 -5.214 9.077 1.00 0.00 O ATOM 379 OD2 ASP A 27 -14.373 -4.115 8.562 1.00 0.00 O ATOM 0 H ASP A 27 -10.787 -5.915 7.241 1.00 0.00 H new ATOM 0 HA ASP A 27 -12.056 -4.336 5.133 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.040 -4.821 6.213 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -13.095 -6.222 6.675 1.00 0.00 H new ATOM 384 N ASP A 28 -12.685 -2.252 6.755 1.00 0.00 N ATOM 385 CA ASP A 28 -12.594 -0.917 7.334 1.00 0.00 C ATOM 386 C ASP A 28 -12.097 -0.983 8.775 1.00 0.00 C ATOM 387 O ASP A 28 -11.377 -0.097 9.234 1.00 0.00 O ATOM 388 CB ASP A 28 -13.955 -0.222 7.282 1.00 0.00 C ATOM 389 CG ASP A 28 -13.865 1.254 7.620 1.00 0.00 C ATOM 390 OD1 ASP A 28 -12.851 1.663 8.225 1.00 0.00 O ATOM 391 OD2 ASP A 28 -14.806 1.999 7.279 1.00 0.00 O ATOM 0 H ASP A 28 -13.566 -2.445 6.278 1.00 0.00 H new ATOM 0 HA ASP A 28 -11.878 -0.341 6.748 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -14.381 -0.338 6.286 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -14.636 -0.710 7.979 1.00 0.00 H new ATOM 396 N GLU A 29 -12.488 -2.038 9.483 1.00 0.00 N ATOM 397 CA GLU A 29 -12.084 -2.218 10.873 1.00 0.00 C ATOM 398 C GLU A 29 -10.657 -2.751 10.959 1.00 0.00 C ATOM 399 O GLU A 29 -9.909 -2.410 11.875 1.00 0.00 O ATOM 400 CB GLU A 29 -13.042 -3.174 11.587 1.00 0.00 C ATOM 401 CG GLU A 29 -14.453 -2.629 11.726 1.00 0.00 C ATOM 402 CD GLU A 29 -15.343 -3.522 12.569 1.00 0.00 C ATOM 403 OE1 GLU A 29 -15.173 -3.528 13.806 1.00 0.00 O ATOM 404 OE2 GLU A 29 -16.207 -4.214 11.992 1.00 0.00 O ATOM 0 H GLU A 29 -13.084 -2.781 9.117 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.121 -1.246 11.364 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -13.077 -4.116 11.039 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.648 -3.397 12.579 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -14.412 -1.636 12.174 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.893 -2.514 10.736 1.00 0.00 H new ATOM 411 N GLY A 30 -10.286 -3.593 9.998 1.00 0.00 N ATOM 412 CA GLY A 30 -8.951 -4.161 9.984 1.00 0.00 C ATOM 413 C GLY A 30 -8.954 -5.655 10.239 1.00 0.00 C ATOM 414 O GLY A 30 -7.940 -6.226 10.641 1.00 0.00 O ATOM 0 H GLY A 30 -10.887 -3.891 9.229 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.485 -3.961 9.019 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.342 -3.668 10.741 1.00 0.00 H new ATOM 418 N VAL A 31 -10.098 -6.291 10.006 1.00 0.00 N ATOM 419 CA VAL A 31 -10.230 -7.728 10.214 1.00 0.00 C ATOM 420 C VAL A 31 -9.572 -8.509 9.082 1.00 0.00 C ATOM 421 O VAL A 31 -9.863 -8.283 7.908 1.00 0.00 O ATOM 422 CB VAL A 31 -11.708 -8.147 10.319 1.00 0.00 C ATOM 423 CG1 VAL A 31 -11.822 -9.623 10.671 1.00 0.00 C ATOM 424 CG2 VAL A 31 -12.432 -7.289 11.346 1.00 0.00 C ATOM 0 H VAL A 31 -10.947 -5.833 9.673 1.00 0.00 H new ATOM 0 HA VAL A 31 -9.727 -7.959 11.153 1.00 0.00 H new ATOM 0 HB VAL A 31 -12.181 -7.992 9.349 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -12.874 -9.900 10.741 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.340 -10.220 9.897 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -11.334 -9.808 11.628 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -13.475 -7.598 11.408 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.959 -7.411 12.320 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.381 -6.242 11.046 1.00 0.00 H new ATOM 434 N GLU A 32 -8.683 -9.430 9.443 1.00 0.00 N ATOM 435 CA GLU A 32 -7.983 -10.244 8.457 1.00 0.00 C ATOM 436 C GLU A 32 -8.970 -11.057 7.624 1.00 0.00 C ATOM 437 O GLU A 32 -9.918 -11.638 8.155 1.00 0.00 O ATOM 438 CB GLU A 32 -6.990 -11.181 9.148 1.00 0.00 C ATOM 439 CG GLU A 32 -5.911 -10.452 9.932 1.00 0.00 C ATOM 440 CD GLU A 32 -5.282 -11.321 11.004 1.00 0.00 C ATOM 441 OE1 GLU A 32 -4.708 -12.373 10.653 1.00 0.00 O ATOM 442 OE2 GLU A 32 -5.364 -10.949 12.193 1.00 0.00 O ATOM 0 H GLU A 32 -8.431 -9.630 10.411 1.00 0.00 H new ATOM 0 HA GLU A 32 -7.437 -9.574 7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.535 -11.841 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.517 -11.814 8.397 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -5.136 -10.110 9.246 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -6.341 -9.564 10.395 1.00 0.00 H new ATOM 449 N LEU A 33 -8.742 -11.093 6.316 1.00 0.00 N ATOM 450 CA LEU A 33 -9.610 -11.833 5.407 1.00 0.00 C ATOM 451 C LEU A 33 -8.814 -12.864 4.612 1.00 0.00 C ATOM 452 O LEU A 33 -9.064 -14.065 4.709 1.00 0.00 O ATOM 453 CB LEU A 33 -10.320 -10.873 4.451 1.00 0.00 C ATOM 454 CG LEU A 33 -11.237 -9.836 5.100 1.00 0.00 C ATOM 455 CD1 LEU A 33 -11.704 -8.818 4.072 1.00 0.00 C ATOM 456 CD2 LEU A 33 -12.429 -10.516 5.759 1.00 0.00 C ATOM 0 H LEU A 33 -7.963 -10.618 5.861 1.00 0.00 H new ATOM 0 HA LEU A 33 -10.356 -12.358 6.004 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.564 -10.346 3.869 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -10.910 -11.462 3.749 1.00 0.00 H new ATOM 0 HG LEU A 33 -10.672 -9.311 5.870 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -12.356 -8.088 4.553 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -10.840 -8.308 3.646 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -12.252 -9.327 3.279 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -13.071 -9.763 6.216 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.994 -11.067 5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -12.076 -11.206 6.526 1.00 0.00 H new ATOM 468 N GLY A 34 -7.853 -12.386 3.828 1.00 0.00 N ATOM 469 CA GLY A 34 -7.034 -13.279 3.029 1.00 0.00 C ATOM 470 C GLY A 34 -5.606 -12.790 2.894 1.00 0.00 C ATOM 471 O GLY A 34 -5.369 -11.608 2.643 1.00 0.00 O ATOM 0 H GLY A 34 -7.627 -11.396 3.732 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.034 -14.270 3.482 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -7.475 -13.382 2.037 1.00 0.00 H new ATOM 475 N SER A 35 -4.652 -13.700 3.062 1.00 0.00 N ATOM 476 CA SER A 35 -3.239 -13.354 2.962 1.00 0.00 C ATOM 477 C SER A 35 -2.745 -13.495 1.525 1.00 0.00 C ATOM 478 O SER A 35 -3.153 -14.404 0.804 1.00 0.00 O ATOM 479 CB SER A 35 -2.408 -14.242 3.889 1.00 0.00 C ATOM 480 OG SER A 35 -2.583 -15.613 3.574 1.00 0.00 O ATOM 0 H SER A 35 -4.832 -14.683 3.268 1.00 0.00 H new ATOM 0 HA SER A 35 -3.123 -12.314 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.354 -13.977 3.803 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.698 -14.064 4.925 1.00 0.00 H new ATOM 0 HG SER A 35 -2.040 -16.160 4.180 1.00 0.00 H new ATOM 486 N GLY A 36 -1.863 -12.588 1.117 1.00 0.00 N ATOM 487 CA GLY A 36 -1.328 -12.628 -0.231 1.00 0.00 C ATOM 488 C GLY A 36 -0.018 -11.875 -0.357 1.00 0.00 C ATOM 489 O GLY A 36 0.356 -11.111 0.533 1.00 0.00 O ATOM 0 H GLY A 36 -1.509 -11.826 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -1.177 -13.666 -0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -2.057 -12.202 -0.921 1.00 0.00 H new ATOM 493 N VAL A 37 0.682 -12.090 -1.467 1.00 0.00 N ATOM 494 CA VAL A 37 1.958 -11.426 -1.706 1.00 0.00 C ATOM 495 C VAL A 37 1.785 -10.217 -2.619 1.00 0.00 C ATOM 496 O VAL A 37 1.321 -10.343 -3.751 1.00 0.00 O ATOM 497 CB VAL A 37 2.982 -12.389 -2.336 1.00 0.00 C ATOM 498 CG1 VAL A 37 4.328 -11.701 -2.506 1.00 0.00 C ATOM 499 CG2 VAL A 37 3.120 -13.647 -1.491 1.00 0.00 C ATOM 0 H VAL A 37 0.387 -12.718 -2.214 1.00 0.00 H new ATOM 0 HA VAL A 37 2.330 -11.095 -0.736 1.00 0.00 H new ATOM 0 HB VAL A 37 2.622 -12.679 -3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 37 5.038 -12.397 -2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.213 -10.833 -3.155 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.698 -11.380 -1.532 1.00 0.00 H new ATOM 0 HG21 VAL A 37 3.847 -14.316 -1.951 1.00 0.00 H new ATOM 0 HG22 VAL A 37 3.457 -13.378 -0.490 1.00 0.00 H new ATOM 0 HG23 VAL A 37 2.155 -14.149 -1.426 1.00 0.00 H new ATOM 509 N MET A 38 2.163 -9.046 -2.118 1.00 0.00 N ATOM 510 CA MET A 38 2.052 -7.813 -2.889 1.00 0.00 C ATOM 511 C MET A 38 3.369 -7.488 -3.587 1.00 0.00 C ATOM 512 O MET A 38 4.416 -7.405 -2.946 1.00 0.00 O ATOM 513 CB MET A 38 1.642 -6.653 -1.980 1.00 0.00 C ATOM 514 CG MET A 38 1.564 -5.316 -2.699 1.00 0.00 C ATOM 515 SD MET A 38 0.646 -4.077 -1.765 1.00 0.00 S ATOM 516 CE MET A 38 -1.022 -4.715 -1.905 1.00 0.00 C ATOM 0 H MET A 38 2.549 -8.925 -1.182 1.00 0.00 H new ATOM 0 HA MET A 38 1.285 -7.957 -3.650 1.00 0.00 H new ATOM 0 HB2 MET A 38 0.671 -6.875 -1.537 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.356 -6.574 -1.160 1.00 0.00 H new ATOM 0 HG2 MET A 38 2.573 -4.950 -2.887 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.090 -5.457 -3.670 1.00 0.00 H new ATOM 0 HE1 MET A 38 -1.735 -3.912 -1.721 1.00 0.00 H new ATOM 0 HE2 MET A 38 -1.176 -5.114 -2.907 1.00 0.00 H new ATOM 0 HE3 MET A 38 -1.171 -5.508 -1.172 1.00 0.00 H new ATOM 526 N GLU A 39 3.307 -7.304 -4.902 1.00 0.00 N ATOM 527 CA GLU A 39 4.496 -6.989 -5.685 1.00 0.00 C ATOM 528 C GLU A 39 4.353 -5.632 -6.368 1.00 0.00 C ATOM 529 O GLU A 39 3.242 -5.161 -6.613 1.00 0.00 O ATOM 530 CB GLU A 39 4.747 -8.076 -6.732 1.00 0.00 C ATOM 531 CG GLU A 39 5.931 -7.785 -7.639 1.00 0.00 C ATOM 532 CD GLU A 39 6.123 -8.846 -8.706 1.00 0.00 C ATOM 533 OE1 GLU A 39 6.246 -10.035 -8.345 1.00 0.00 O ATOM 534 OE2 GLU A 39 6.151 -8.486 -9.901 1.00 0.00 O ATOM 0 H GLU A 39 2.447 -7.368 -5.447 1.00 0.00 H new ATOM 0 HA GLU A 39 5.347 -6.947 -5.005 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.914 -9.026 -6.224 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.852 -8.194 -7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.788 -6.816 -8.117 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.836 -7.713 -7.036 1.00 0.00 H new ATOM 541 N LEU A 40 5.486 -5.008 -6.674 1.00 0.00 N ATOM 542 CA LEU A 40 5.488 -3.705 -7.329 1.00 0.00 C ATOM 543 C LEU A 40 6.489 -3.676 -8.480 1.00 0.00 C ATOM 544 O LEU A 40 7.635 -4.102 -8.333 1.00 0.00 O ATOM 545 CB LEU A 40 5.824 -2.605 -6.319 1.00 0.00 C ATOM 546 CG LEU A 40 4.634 -1.966 -5.603 1.00 0.00 C ATOM 547 CD1 LEU A 40 4.163 -2.849 -4.458 1.00 0.00 C ATOM 548 CD2 LEU A 40 5.000 -0.580 -5.094 1.00 0.00 C ATOM 0 H LEU A 40 6.414 -5.384 -6.479 1.00 0.00 H new ATOM 0 HA LEU A 40 4.491 -3.527 -7.733 1.00 0.00 H new ATOM 0 HB2 LEU A 40 6.494 -3.022 -5.567 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.375 -1.820 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 40 3.816 -1.865 -6.317 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.315 -2.378 -3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.860 -3.821 -4.849 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.975 -2.982 -3.743 1.00 0.00 H new ATOM 0 HD21 LEU A 40 4.141 -0.140 -4.587 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.833 -0.657 -4.396 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.288 0.052 -5.934 1.00 0.00 H new ATOM 560 N THR A 41 6.048 -3.169 -9.627 1.00 0.00 N ATOM 561 CA THR A 41 6.904 -3.083 -10.804 1.00 0.00 C ATOM 562 C THR A 41 6.849 -1.691 -11.423 1.00 0.00 C ATOM 563 O THR A 41 5.805 -1.039 -11.414 1.00 0.00 O ATOM 564 CB THR A 41 6.503 -4.122 -11.867 1.00 0.00 C ATOM 565 OG1 THR A 41 5.204 -3.816 -12.386 1.00 0.00 O ATOM 566 CG2 THR A 41 6.502 -5.525 -11.280 1.00 0.00 C ATOM 0 H THR A 41 5.103 -2.812 -9.766 1.00 0.00 H new ATOM 0 HA THR A 41 7.921 -3.289 -10.471 1.00 0.00 H new ATOM 0 HB THR A 41 7.235 -4.084 -12.674 1.00 0.00 H new ATOM 0 HG1 THR A 41 4.653 -3.423 -11.677 1.00 0.00 H new ATOM 0 HG21 THR A 41 6.216 -6.241 -12.050 1.00 0.00 H new ATOM 0 HG22 THR A 41 7.499 -5.766 -10.913 1.00 0.00 H new ATOM 0 HG23 THR A 41 5.790 -5.574 -10.456 1.00 0.00 H new ATOM 574 N GLN A 42 7.979 -1.243 -11.962 1.00 0.00 N ATOM 575 CA GLN A 42 8.057 0.072 -12.586 1.00 0.00 C ATOM 576 C GLN A 42 6.863 0.312 -13.503 1.00 0.00 C ATOM 577 O GLN A 42 6.465 1.454 -13.735 1.00 0.00 O ATOM 578 CB GLN A 42 9.359 0.207 -13.379 1.00 0.00 C ATOM 579 CG GLN A 42 9.870 1.635 -13.472 1.00 0.00 C ATOM 580 CD GLN A 42 11.233 1.726 -14.129 1.00 0.00 C ATOM 581 OE1 GLN A 42 11.420 1.281 -15.261 1.00 0.00 O ATOM 582 NE2 GLN A 42 12.195 2.305 -13.419 1.00 0.00 N ATOM 0 H GLN A 42 8.852 -1.771 -11.979 1.00 0.00 H new ATOM 0 HA GLN A 42 8.041 0.822 -11.796 1.00 0.00 H new ATOM 0 HB2 GLN A 42 10.124 -0.414 -12.913 1.00 0.00 H new ATOM 0 HB3 GLN A 42 9.203 -0.180 -14.386 1.00 0.00 H new ATOM 0 HG2 GLN A 42 9.158 2.236 -14.038 1.00 0.00 H new ATOM 0 HG3 GLN A 42 9.924 2.063 -12.471 1.00 0.00 H new ATOM 0 HE21 GLN A 42 11.995 2.660 -12.484 1.00 0.00 H new ATOM 0 HE22 GLN A 42 13.133 2.395 -13.809 1.00 0.00 H new ATOM 591 N SER A 43 6.294 -0.771 -14.022 1.00 0.00 N ATOM 592 CA SER A 43 5.147 -0.678 -14.918 1.00 0.00 C ATOM 593 C SER A 43 3.881 -0.323 -14.144 1.00 0.00 C ATOM 594 O SER A 43 3.406 0.811 -14.199 1.00 0.00 O ATOM 595 CB SER A 43 4.948 -1.999 -15.664 1.00 0.00 C ATOM 596 OG SER A 43 5.897 -2.144 -16.707 1.00 0.00 O ATOM 0 H SER A 43 6.609 -1.724 -13.837 1.00 0.00 H new ATOM 0 HA SER A 43 5.345 0.114 -15.641 1.00 0.00 H new ATOM 0 HB2 SER A 43 5.040 -2.832 -14.966 1.00 0.00 H new ATOM 0 HB3 SER A 43 3.940 -2.039 -16.077 1.00 0.00 H new ATOM 0 HG SER A 43 5.750 -2.997 -17.167 1.00 0.00 H new ATOM 602 N GLU A 44 3.342 -1.301 -13.423 1.00 0.00 N ATOM 603 CA GLU A 44 2.131 -1.091 -12.638 1.00 0.00 C ATOM 604 C GLU A 44 2.172 -1.903 -11.346 1.00 0.00 C ATOM 605 O GLU A 44 3.126 -2.640 -11.093 1.00 0.00 O ATOM 606 CB GLU A 44 0.895 -1.474 -13.454 1.00 0.00 C ATOM 607 CG GLU A 44 0.782 -2.965 -13.726 1.00 0.00 C ATOM 608 CD GLU A 44 1.687 -3.423 -14.854 1.00 0.00 C ATOM 609 OE1 GLU A 44 2.912 -3.512 -14.631 1.00 0.00 O ATOM 610 OE2 GLU A 44 1.169 -3.691 -15.958 1.00 0.00 O ATOM 0 H GLU A 44 3.724 -2.245 -13.366 1.00 0.00 H new ATOM 0 HA GLU A 44 2.075 -0.033 -12.381 1.00 0.00 H new ATOM 0 HB2 GLU A 44 0.003 -1.142 -12.924 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.918 -0.941 -14.404 1.00 0.00 H new ATOM 0 HG2 GLU A 44 1.031 -3.516 -12.819 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -0.251 -3.208 -13.973 1.00 0.00 H new ATOM 617 N LEU A 45 1.132 -1.762 -10.533 1.00 0.00 N ATOM 618 CA LEU A 45 1.048 -2.481 -9.266 1.00 0.00 C ATOM 619 C LEU A 45 0.426 -3.860 -9.463 1.00 0.00 C ATOM 620 O LEU A 45 -0.523 -4.020 -10.230 1.00 0.00 O ATOM 621 CB LEU A 45 0.228 -1.678 -8.255 1.00 0.00 C ATOM 622 CG LEU A 45 0.613 -1.857 -6.786 1.00 0.00 C ATOM 623 CD1 LEU A 45 -0.300 -1.033 -5.891 1.00 0.00 C ATOM 624 CD2 LEU A 45 0.560 -3.327 -6.395 1.00 0.00 C ATOM 0 H LEU A 45 0.335 -1.156 -10.728 1.00 0.00 H new ATOM 0 HA LEU A 45 2.060 -2.611 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.313 -0.621 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.821 -1.950 -8.371 1.00 0.00 H new ATOM 0 HG LEU A 45 1.635 -1.503 -6.653 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -0.011 -1.173 -4.849 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.212 0.021 -6.154 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.332 -1.356 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.837 -3.435 -5.346 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.451 -3.707 -6.544 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.256 -3.893 -7.014 1.00 0.00 H new ATOM 636 N VAL A 46 0.967 -4.852 -8.763 1.00 0.00 N ATOM 637 CA VAL A 46 0.463 -6.217 -8.858 1.00 0.00 C ATOM 638 C VAL A 46 0.274 -6.831 -7.475 1.00 0.00 C ATOM 639 O VAL A 46 0.955 -6.457 -6.520 1.00 0.00 O ATOM 640 CB VAL A 46 1.413 -7.110 -9.678 1.00 0.00 C ATOM 641 CG1 VAL A 46 0.801 -8.487 -9.891 1.00 0.00 C ATOM 642 CG2 VAL A 46 1.744 -6.453 -11.010 1.00 0.00 C ATOM 0 H VAL A 46 1.754 -4.736 -8.124 1.00 0.00 H new ATOM 0 HA VAL A 46 -0.501 -6.164 -9.364 1.00 0.00 H new ATOM 0 HB VAL A 46 2.341 -7.234 -9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 46 1.486 -9.104 -10.472 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.619 -8.958 -8.925 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.142 -8.387 -10.429 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.416 -7.097 -11.576 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.826 -6.298 -11.577 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.227 -5.492 -10.832 1.00 0.00 H new ATOM 652 N LEU A 47 -0.656 -7.775 -7.375 1.00 0.00 N ATOM 653 CA LEU A 47 -0.935 -8.442 -6.108 1.00 0.00 C ATOM 654 C LEU A 47 -1.244 -9.919 -6.328 1.00 0.00 C ATOM 655 O LEU A 47 -2.232 -10.269 -6.973 1.00 0.00 O ATOM 656 CB LEU A 47 -2.109 -7.763 -5.400 1.00 0.00 C ATOM 657 CG LEU A 47 -2.157 -7.920 -3.880 1.00 0.00 C ATOM 658 CD1 LEU A 47 -3.496 -7.447 -3.336 1.00 0.00 C ATOM 659 CD2 LEU A 47 -1.899 -9.367 -3.484 1.00 0.00 C ATOM 0 H LEU A 47 -1.229 -8.095 -8.156 1.00 0.00 H new ATOM 0 HA LEU A 47 -0.047 -8.365 -5.481 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.083 -6.699 -5.635 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.036 -8.158 -5.816 1.00 0.00 H new ATOM 0 HG LEU A 47 -1.373 -7.300 -3.446 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.511 -7.566 -2.253 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.640 -6.396 -3.587 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.298 -8.039 -3.778 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.937 -9.459 -2.399 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -2.660 -10.007 -3.930 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.915 -9.672 -3.840 1.00 0.00 H new ATOM 671 N HIS A 48 -0.393 -10.784 -5.784 1.00 0.00 N ATOM 672 CA HIS A 48 -0.576 -12.224 -5.918 1.00 0.00 C ATOM 673 C HIS A 48 -1.288 -12.797 -4.696 1.00 0.00 C ATOM 674 O HIS A 48 -0.939 -12.483 -3.557 1.00 0.00 O ATOM 675 CB HIS A 48 0.774 -12.916 -6.107 1.00 0.00 C ATOM 676 CG HIS A 48 1.499 -12.486 -7.345 1.00 0.00 C ATOM 677 ND1 HIS A 48 1.131 -12.889 -8.611 1.00 0.00 N ATOM 678 CD2 HIS A 48 2.576 -11.681 -7.506 1.00 0.00 C ATOM 679 CE1 HIS A 48 1.951 -12.352 -9.497 1.00 0.00 C ATOM 680 NE2 HIS A 48 2.837 -11.614 -8.852 1.00 0.00 N ATOM 0 H HIS A 48 0.430 -10.512 -5.246 1.00 0.00 H new ATOM 0 HA HIS A 48 -1.195 -12.406 -6.796 1.00 0.00 H new ATOM 0 HB2 HIS A 48 1.402 -12.713 -5.239 1.00 0.00 H new ATOM 0 HB3 HIS A 48 0.619 -13.994 -6.143 1.00 0.00 H new ATOM 0 HD2 HIS A 48 3.127 -11.184 -6.721 1.00 0.00 H new ATOM 0 HE1 HIS A 48 1.905 -12.492 -10.567 1.00 0.00 H new ATOM 0 HE2 HIS A 48 3.592 -11.081 -9.284 1.00 0.00 H new ATOM 689 N LEU A 49 -2.287 -13.638 -4.939 1.00 0.00 N ATOM 690 CA LEU A 49 -3.048 -14.255 -3.858 1.00 0.00 C ATOM 691 C LEU A 49 -3.126 -15.767 -4.041 1.00 0.00 C ATOM 692 O LEU A 49 -2.538 -16.528 -3.272 1.00 0.00 O ATOM 693 CB LEU A 49 -4.457 -13.663 -3.799 1.00 0.00 C ATOM 694 CG LEU A 49 -4.552 -12.142 -3.918 1.00 0.00 C ATOM 695 CD1 LEU A 49 -4.592 -11.723 -5.380 1.00 0.00 C ATOM 696 CD2 LEU A 49 -5.778 -11.624 -3.180 1.00 0.00 C ATOM 0 H LEU A 49 -2.589 -13.908 -5.875 1.00 0.00 H new ATOM 0 HA LEU A 49 -2.534 -14.048 -2.920 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -5.050 -14.108 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -4.916 -13.963 -2.857 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.665 -11.705 -3.459 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.660 -10.637 -5.446 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.684 -12.061 -5.880 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.461 -12.170 -5.863 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -5.829 -10.539 -3.276 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.676 -12.069 -3.609 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -5.708 -11.892 -2.126 1.00 0.00 H new ATOM 789 N ALA A 54 -4.229 -12.498 -11.240 1.00 0.00 N ATOM 790 CA ALA A 54 -3.609 -11.454 -10.434 1.00 0.00 C ATOM 791 C ALA A 54 -4.212 -10.089 -10.746 1.00 0.00 C ATOM 792 O ALA A 54 -4.437 -9.749 -11.908 1.00 0.00 O ATOM 793 CB ALA A 54 -2.105 -11.433 -10.665 1.00 0.00 C ATOM 0 HA ALA A 54 -3.802 -11.676 -9.385 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.654 -10.649 -10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.681 -12.397 -10.386 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.901 -11.238 -11.718 1.00 0.00 H new ATOM 799 N VAL A 55 -4.473 -9.309 -9.701 1.00 0.00 N ATOM 800 CA VAL A 55 -5.050 -7.980 -9.864 1.00 0.00 C ATOM 801 C VAL A 55 -3.963 -6.930 -10.062 1.00 0.00 C ATOM 802 O VAL A 55 -3.159 -6.676 -9.165 1.00 0.00 O ATOM 803 CB VAL A 55 -5.911 -7.590 -8.648 1.00 0.00 C ATOM 804 CG1 VAL A 55 -6.610 -6.262 -8.893 1.00 0.00 C ATOM 805 CG2 VAL A 55 -6.921 -8.684 -8.337 1.00 0.00 C ATOM 0 H VAL A 55 -4.294 -9.575 -8.733 1.00 0.00 H new ATOM 0 HA VAL A 55 -5.682 -8.015 -10.751 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.257 -7.475 -7.784 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.214 -6.003 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.865 -5.485 -9.063 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -7.253 -6.346 -9.769 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.521 -8.391 -7.475 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.572 -8.833 -9.198 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.395 -9.612 -8.115 1.00 0.00 H new ATOM 815 N ARG A 56 -3.945 -6.320 -11.243 1.00 0.00 N ATOM 816 CA ARG A 56 -2.957 -5.297 -11.560 1.00 0.00 C ATOM 817 C ARG A 56 -3.584 -3.906 -11.525 1.00 0.00 C ATOM 818 O ARG A 56 -4.561 -3.638 -12.225 1.00 0.00 O ATOM 819 CB ARG A 56 -2.344 -5.558 -12.937 1.00 0.00 C ATOM 820 CG ARG A 56 -1.959 -7.010 -13.167 1.00 0.00 C ATOM 821 CD ARG A 56 -1.794 -7.315 -14.647 1.00 0.00 C ATOM 822 NE ARG A 56 -0.825 -8.382 -14.882 1.00 0.00 N ATOM 823 CZ ARG A 56 -1.128 -9.675 -14.827 1.00 0.00 C ATOM 824 NH1 ARG A 56 -2.366 -10.057 -14.548 1.00 0.00 N ATOM 825 NH2 ARG A 56 -0.191 -10.587 -15.052 1.00 0.00 N ATOM 0 H ARG A 56 -4.604 -6.517 -11.996 1.00 0.00 H new ATOM 0 HA ARG A 56 -2.171 -5.341 -10.806 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.055 -5.253 -13.705 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.459 -4.933 -13.056 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -1.028 -7.228 -12.644 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.723 -7.662 -12.743 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.758 -7.602 -15.067 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.474 -6.413 -15.169 1.00 0.00 H new ATOM 0 HE ARG A 56 0.137 -8.121 -15.100 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -3.089 -9.358 -14.375 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -2.596 -11.050 -14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 56 0.763 -10.296 -15.267 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -0.424 -11.579 -15.010 1.00 0.00 H new ATOM 839 N TRP A 57 -3.016 -3.027 -10.708 1.00 0.00 N ATOM 840 CA TRP A 57 -3.520 -1.664 -10.582 1.00 0.00 C ATOM 841 C TRP A 57 -2.515 -0.659 -11.134 1.00 0.00 C ATOM 842 O TRP A 57 -1.380 -0.560 -10.667 1.00 0.00 O ATOM 843 CB TRP A 57 -3.828 -1.345 -9.119 1.00 0.00 C ATOM 844 CG TRP A 57 -4.975 -2.136 -8.567 1.00 0.00 C ATOM 845 CD1 TRP A 57 -6.291 -2.021 -8.913 1.00 0.00 C ATOM 846 CD2 TRP A 57 -4.908 -3.162 -7.570 1.00 0.00 C ATOM 847 NE1 TRP A 57 -7.047 -2.913 -8.191 1.00 0.00 N ATOM 848 CE2 TRP A 57 -6.222 -3.625 -7.361 1.00 0.00 C ATOM 849 CE3 TRP A 57 -3.867 -3.735 -6.836 1.00 0.00 C ATOM 850 CZ2 TRP A 57 -6.519 -4.634 -6.448 1.00 0.00 C ATOM 851 CZ3 TRP A 57 -4.163 -4.735 -5.930 1.00 0.00 C ATOM 852 CH2 TRP A 57 -5.480 -5.177 -5.742 1.00 0.00 C ATOM 0 H TRP A 57 -2.206 -3.233 -10.123 1.00 0.00 H new ATOM 0 HA TRP A 57 -4.439 -1.588 -11.164 1.00 0.00 H new ATOM 0 HB2 TRP A 57 -2.940 -1.539 -8.518 1.00 0.00 H new ATOM 0 HB3 TRP A 57 -4.051 -0.282 -9.026 1.00 0.00 H new ATOM 0 HD1 TRP A 57 -6.680 -1.330 -9.646 1.00 0.00 H new ATOM 0 HE1 TRP A 57 -8.058 -3.026 -8.262 1.00 0.00 H new ATOM 0 HE3 TRP A 57 -2.849 -3.402 -6.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 57 -7.533 -4.976 -6.302 1.00 0.00 H new ATOM 0 HZ3 TRP A 57 -3.366 -5.184 -5.356 1.00 0.00 H new ATOM 0 HH2 TRP A 57 -5.678 -5.961 -5.026 1.00 0.00 H new ATOM 863 N PRO A 58 -2.938 0.106 -12.151 1.00 0.00 N ATOM 864 CA PRO A 58 -2.090 1.118 -12.788 1.00 0.00 C ATOM 865 C PRO A 58 -1.824 2.309 -11.874 1.00 0.00 C ATOM 866 O PRO A 58 -2.725 2.789 -11.186 1.00 0.00 O ATOM 867 CB PRO A 58 -2.908 1.551 -14.007 1.00 0.00 C ATOM 868 CG PRO A 58 -4.321 1.262 -13.637 1.00 0.00 C ATOM 869 CD PRO A 58 -4.278 0.042 -12.759 1.00 0.00 C ATOM 0 HA PRO A 58 -1.104 0.725 -13.038 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -2.764 2.609 -14.225 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -2.612 0.999 -14.899 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -4.767 2.106 -13.111 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -4.928 1.083 -14.524 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -5.063 0.063 -12.004 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -4.414 -0.873 -13.335 1.00 0.00 H new ATOM 877 N TYR A 59 -0.583 2.782 -11.872 1.00 0.00 N ATOM 878 CA TYR A 59 -0.199 3.917 -11.041 1.00 0.00 C ATOM 879 C TYR A 59 -0.866 5.200 -11.528 1.00 0.00 C ATOM 880 O TYR A 59 -1.386 5.984 -10.733 1.00 0.00 O ATOM 881 CB TYR A 59 1.322 4.087 -11.045 1.00 0.00 C ATOM 882 CG TYR A 59 2.071 2.843 -10.622 1.00 0.00 C ATOM 883 CD1 TYR A 59 1.672 2.113 -9.510 1.00 0.00 C ATOM 884 CD2 TYR A 59 3.178 2.400 -11.335 1.00 0.00 C ATOM 885 CE1 TYR A 59 2.353 0.976 -9.120 1.00 0.00 C ATOM 886 CE2 TYR A 59 3.865 1.264 -10.953 1.00 0.00 C ATOM 887 CZ TYR A 59 3.449 0.556 -9.845 1.00 0.00 C ATOM 888 OH TYR A 59 4.131 -0.576 -9.460 1.00 0.00 O ATOM 0 H TYR A 59 0.174 2.397 -12.436 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.534 3.719 -10.023 1.00 0.00 H new ATOM 0 HB2 TYR A 59 1.645 4.373 -12.046 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.589 4.907 -10.378 1.00 0.00 H new ATOM 0 HD1 TYR A 59 0.815 2.440 -8.940 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.507 2.953 -12.202 1.00 0.00 H new ATOM 0 HE1 TYR A 59 2.029 0.419 -8.253 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.723 0.932 -11.519 1.00 0.00 H new ATOM 0 HH TYR A 59 4.992 -0.613 -9.926 1.00 0.00 H new ATOM 898 N LEU A 60 -0.848 5.407 -12.840 1.00 0.00 N ATOM 899 CA LEU A 60 -1.452 6.594 -13.436 1.00 0.00 C ATOM 900 C LEU A 60 -2.853 6.828 -12.882 1.00 0.00 C ATOM 901 O LEU A 60 -3.268 7.969 -12.678 1.00 0.00 O ATOM 902 CB LEU A 60 -1.509 6.452 -14.958 1.00 0.00 C ATOM 903 CG LEU A 60 -1.663 5.028 -15.494 1.00 0.00 C ATOM 904 CD1 LEU A 60 -2.440 5.031 -16.801 1.00 0.00 C ATOM 905 CD2 LEU A 60 -0.299 4.379 -15.683 1.00 0.00 C ATOM 0 H LEU A 60 -0.422 4.768 -13.512 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.833 7.454 -13.181 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -2.342 7.050 -15.328 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.598 6.880 -15.377 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.223 4.444 -14.764 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.540 4.009 -17.167 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.430 5.455 -16.635 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.908 5.631 -17.539 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.428 3.366 -16.065 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.287 4.963 -16.393 1.00 0.00 H new ATOM 0 HD23 LEU A 60 0.222 4.342 -14.726 1.00 0.00 H new ATOM 917 N CYS A 61 -3.577 5.741 -12.640 1.00 0.00 N ATOM 918 CA CYS A 61 -4.933 5.827 -12.108 1.00 0.00 C ATOM 919 C CYS A 61 -4.914 6.204 -10.630 1.00 0.00 C ATOM 920 O CYS A 61 -5.791 6.923 -10.151 1.00 0.00 O ATOM 921 CB CYS A 61 -5.664 4.497 -12.299 1.00 0.00 C ATOM 922 SG CYS A 61 -5.457 3.338 -10.927 1.00 0.00 S ATOM 0 H CYS A 61 -3.248 4.789 -12.804 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.463 6.606 -12.656 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -6.727 4.695 -12.436 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -5.307 4.027 -13.215 1.00 0.00 H new ATOM 0 HG CYS A 61 -4.273 2.804 -10.985 1.00 0.00 H new ATOM 928 N LEU A 62 -3.910 5.711 -9.913 1.00 0.00 N ATOM 929 CA LEU A 62 -3.777 5.994 -8.488 1.00 0.00 C ATOM 930 C LEU A 62 -3.813 7.496 -8.225 1.00 0.00 C ATOM 931 O LEU A 62 -2.805 8.187 -8.374 1.00 0.00 O ATOM 932 CB LEU A 62 -2.474 5.402 -7.949 1.00 0.00 C ATOM 933 CG LEU A 62 -2.391 3.875 -7.923 1.00 0.00 C ATOM 934 CD1 LEU A 62 -1.264 3.417 -7.011 1.00 0.00 C ATOM 935 CD2 LEU A 62 -3.717 3.276 -7.477 1.00 0.00 C ATOM 0 H LEU A 62 -3.177 5.114 -10.295 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.619 5.533 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.649 5.781 -8.553 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.323 5.772 -6.935 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.178 3.525 -8.933 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.220 2.328 -7.005 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.317 3.816 -7.374 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.446 3.778 -5.999 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -3.639 2.189 -7.464 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.960 3.634 -6.476 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.503 3.576 -8.170 1.00 0.00 H new ATOM 947 N ARG A 63 -4.980 7.996 -7.832 1.00 0.00 N ATOM 948 CA ARG A 63 -5.147 9.416 -7.548 1.00 0.00 C ATOM 949 C ARG A 63 -4.418 9.803 -6.265 1.00 0.00 C ATOM 950 O ARG A 63 -3.848 10.889 -6.167 1.00 0.00 O ATOM 951 CB ARG A 63 -6.632 9.763 -7.428 1.00 0.00 C ATOM 952 CG ARG A 63 -6.913 11.256 -7.450 1.00 0.00 C ATOM 953 CD ARG A 63 -6.864 11.811 -8.866 1.00 0.00 C ATOM 954 NE ARG A 63 -7.893 11.224 -9.719 1.00 0.00 N ATOM 955 CZ ARG A 63 -9.171 11.587 -9.685 1.00 0.00 C ATOM 956 NH1 ARG A 63 -9.573 12.530 -8.844 1.00 0.00 N ATOM 957 NH2 ARG A 63 -10.048 11.006 -10.493 1.00 0.00 N ATOM 0 H ARG A 63 -5.824 7.438 -7.703 1.00 0.00 H new ATOM 0 HA ARG A 63 -4.715 9.979 -8.375 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.174 9.288 -8.245 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.021 9.343 -6.501 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.894 11.449 -7.016 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -6.182 11.774 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -6.992 12.893 -8.836 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.882 11.618 -9.297 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.616 10.496 -10.377 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -8.901 12.978 -8.221 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -10.554 12.807 -8.820 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -9.742 10.280 -11.141 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -11.029 11.285 -10.466 1.00 0.00 H new ATOM 971 N ARG A 64 -4.441 8.906 -5.284 1.00 0.00 N ATOM 972 CA ARG A 64 -3.783 9.154 -4.007 1.00 0.00 C ATOM 973 C ARG A 64 -3.464 7.843 -3.295 1.00 0.00 C ATOM 974 O ARG A 64 -4.133 6.831 -3.508 1.00 0.00 O ATOM 975 CB ARG A 64 -4.667 10.028 -3.115 1.00 0.00 C ATOM 976 CG ARG A 64 -6.030 9.421 -2.825 1.00 0.00 C ATOM 977 CD ARG A 64 -7.026 10.477 -2.374 1.00 0.00 C ATOM 978 NE ARG A 64 -8.406 10.013 -2.490 1.00 0.00 N ATOM 979 CZ ARG A 64 -9.459 10.739 -2.131 1.00 0.00 C ATOM 980 NH1 ARG A 64 -9.290 11.957 -1.636 1.00 0.00 N ATOM 981 NH2 ARG A 64 -10.684 10.247 -2.267 1.00 0.00 N ATOM 0 H ARG A 64 -4.908 8.002 -5.349 1.00 0.00 H new ATOM 0 HA ARG A 64 -2.847 9.677 -4.205 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -4.151 10.208 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -4.805 10.998 -3.593 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.406 8.924 -3.719 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -5.933 8.658 -2.053 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -6.821 10.750 -1.339 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -6.895 11.378 -2.973 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.570 9.080 -2.868 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -8.350 12.339 -1.530 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -10.100 12.513 -1.361 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.818 9.310 -2.648 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.492 10.806 -1.991 1.00 0.00 H new ATOM 995 N TYR A 65 -2.439 7.867 -2.452 1.00 0.00 N ATOM 996 CA TYR A 65 -2.029 6.680 -1.712 1.00 0.00 C ATOM 997 C TYR A 65 -1.307 7.063 -0.423 1.00 0.00 C ATOM 998 O TYR A 65 -0.500 7.991 -0.403 1.00 0.00 O ATOM 999 CB TYR A 65 -1.122 5.802 -2.576 1.00 0.00 C ATOM 1000 CG TYR A 65 0.103 6.522 -3.093 1.00 0.00 C ATOM 1001 CD1 TYR A 65 0.067 7.218 -4.295 1.00 0.00 C ATOM 1002 CD2 TYR A 65 1.296 6.504 -2.381 1.00 0.00 C ATOM 1003 CE1 TYR A 65 1.184 7.877 -4.773 1.00 0.00 C ATOM 1004 CE2 TYR A 65 2.417 7.161 -2.850 1.00 0.00 C ATOM 1005 CZ TYR A 65 2.356 7.846 -4.046 1.00 0.00 C ATOM 1006 OH TYR A 65 3.471 8.500 -4.517 1.00 0.00 O ATOM 0 H TYR A 65 -1.876 8.696 -2.264 1.00 0.00 H new ATOM 0 HA TYR A 65 -2.926 6.118 -1.451 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.806 4.937 -1.993 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.695 5.424 -3.422 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -0.850 7.245 -4.866 1.00 0.00 H new ATOM 0 HD2 TYR A 65 1.348 5.967 -1.445 1.00 0.00 H new ATOM 0 HE1 TYR A 65 1.140 8.413 -5.710 1.00 0.00 H new ATOM 0 HE2 TYR A 65 3.336 7.139 -2.283 1.00 0.00 H new ATOM 0 HH TYR A 65 3.749 9.180 -3.869 1.00 0.00 H new ATOM 1016 N GLY A 66 -1.604 6.339 0.652 1.00 0.00 N ATOM 1017 CA GLY A 66 -0.976 6.617 1.930 1.00 0.00 C ATOM 1018 C GLY A 66 -0.551 5.355 2.654 1.00 0.00 C ATOM 1019 O GLY A 66 -0.769 4.246 2.163 1.00 0.00 O ATOM 0 H GLY A 66 -2.268 5.565 0.660 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -0.105 7.253 1.772 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -1.669 7.176 2.558 1.00 0.00 H new ATOM 1023 N TYR A 67 0.058 5.521 3.823 1.00 0.00 N ATOM 1024 CA TYR A 67 0.518 4.386 4.613 1.00 0.00 C ATOM 1025 C TYR A 67 0.656 4.766 6.084 1.00 0.00 C ATOM 1026 O TYR A 67 0.871 5.932 6.418 1.00 0.00 O ATOM 1027 CB TYR A 67 1.857 3.875 4.079 1.00 0.00 C ATOM 1028 CG TYR A 67 3.050 4.643 4.602 1.00 0.00 C ATOM 1029 CD1 TYR A 67 3.184 6.005 4.361 1.00 0.00 C ATOM 1030 CD2 TYR A 67 4.044 4.007 5.335 1.00 0.00 C ATOM 1031 CE1 TYR A 67 4.272 6.711 4.836 1.00 0.00 C ATOM 1032 CE2 TYR A 67 5.135 4.705 5.815 1.00 0.00 C ATOM 1033 CZ TYR A 67 5.245 6.056 5.563 1.00 0.00 C ATOM 1034 OH TYR A 67 6.331 6.755 6.038 1.00 0.00 O ATOM 0 H TYR A 67 0.244 6.431 4.244 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.225 3.593 4.530 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.967 2.824 4.345 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.849 3.929 2.990 1.00 0.00 H new ATOM 0 HD1 TYR A 67 2.424 6.520 3.792 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.962 2.948 5.533 1.00 0.00 H new ATOM 0 HE1 TYR A 67 4.361 7.769 4.640 1.00 0.00 H new ATOM 0 HE2 TYR A 67 5.898 4.195 6.385 1.00 0.00 H new ATOM 0 HH TYR A 67 6.922 6.147 6.530 1.00 0.00 H new ATOM 1044 N ASP A 68 0.531 3.775 6.959 1.00 0.00 N ATOM 1045 CA ASP A 68 0.643 4.003 8.395 1.00 0.00 C ATOM 1046 C ASP A 68 1.695 3.086 9.011 1.00 0.00 C ATOM 1047 O ASP A 68 2.296 2.263 8.320 1.00 0.00 O ATOM 1048 CB ASP A 68 -0.708 3.780 9.076 1.00 0.00 C ATOM 1049 CG ASP A 68 -0.785 4.439 10.439 1.00 0.00 C ATOM 1050 OD1 ASP A 68 -0.285 5.575 10.578 1.00 0.00 O ATOM 1051 OD2 ASP A 68 -1.346 3.819 11.367 1.00 0.00 O ATOM 0 H ASP A 68 0.352 2.805 6.699 1.00 0.00 H new ATOM 0 HA ASP A 68 0.953 5.037 8.550 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.501 4.173 8.440 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.886 2.710 9.182 1.00 0.00 H new ATOM 1056 N SER A 69 1.913 3.235 10.313 1.00 0.00 N ATOM 1057 CA SER A 69 2.896 2.423 11.021 1.00 0.00 C ATOM 1058 C SER A 69 2.881 0.985 10.513 1.00 0.00 C ATOM 1059 O SER A 69 3.864 0.502 9.953 1.00 0.00 O ATOM 1060 CB SER A 69 2.620 2.446 12.526 1.00 0.00 C ATOM 1061 OG SER A 69 3.102 3.642 13.114 1.00 0.00 O ATOM 0 H SER A 69 1.423 3.910 10.899 1.00 0.00 H new ATOM 0 HA SER A 69 3.883 2.847 10.833 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.548 2.356 12.704 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.095 1.587 12.999 1.00 0.00 H new ATOM 0 HG SER A 69 2.912 3.633 14.075 1.00 0.00 H new ATOM 1067 N ASN A 70 1.756 0.305 10.712 1.00 0.00 N ATOM 1068 CA ASN A 70 1.611 -1.079 10.274 1.00 0.00 C ATOM 1069 C ASN A 70 0.349 -1.254 9.435 1.00 0.00 C ATOM 1070 O ASN A 70 -0.460 -2.147 9.691 1.00 0.00 O ATOM 1071 CB ASN A 70 1.568 -2.016 11.483 1.00 0.00 C ATOM 1072 CG ASN A 70 0.369 -1.755 12.374 1.00 0.00 C ATOM 1073 OD1 ASN A 70 -0.222 -0.676 12.338 1.00 0.00 O ATOM 1074 ND2 ASN A 70 0.005 -2.745 13.180 1.00 0.00 N ATOM 0 H ASN A 70 0.932 0.690 11.174 1.00 0.00 H new ATOM 0 HA ASN A 70 2.474 -1.332 9.657 1.00 0.00 H new ATOM 0 HB2 ASN A 70 1.542 -3.050 11.138 1.00 0.00 H new ATOM 0 HB3 ASN A 70 2.482 -1.897 12.064 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -0.794 -2.628 13.803 1.00 0.00 H new ATOM 0 HD22 ASN A 70 0.524 -3.623 13.176 1.00 0.00 H new ATOM 1081 N LEU A 71 0.189 -0.399 8.432 1.00 0.00 N ATOM 1082 CA LEU A 71 -0.974 -0.459 7.553 1.00 0.00 C ATOM 1083 C LEU A 71 -0.661 0.155 6.192 1.00 0.00 C ATOM 1084 O LEU A 71 0.149 1.076 6.086 1.00 0.00 O ATOM 1085 CB LEU A 71 -2.159 0.267 8.192 1.00 0.00 C ATOM 1086 CG LEU A 71 -3.513 0.075 7.508 1.00 0.00 C ATOM 1087 CD1 LEU A 71 -4.206 -1.171 8.037 1.00 0.00 C ATOM 1088 CD2 LEU A 71 -4.391 1.302 7.707 1.00 0.00 C ATOM 0 H LEU A 71 0.850 0.345 8.207 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.234 -1.507 7.407 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.247 -0.064 9.227 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.935 1.333 8.217 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.343 -0.055 6.439 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.168 -1.292 7.539 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.584 -2.044 7.841 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -4.363 -1.072 9.111 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.350 1.147 7.213 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.553 1.464 8.773 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.899 2.175 7.278 1.00 0.00 H new ATOM 1100 N PHE A 72 -1.309 -0.361 5.153 1.00 0.00 N ATOM 1101 CA PHE A 72 -1.101 0.137 3.798 1.00 0.00 C ATOM 1102 C PHE A 72 -2.423 0.218 3.040 1.00 0.00 C ATOM 1103 O PHE A 72 -3.066 -0.799 2.780 1.00 0.00 O ATOM 1104 CB PHE A 72 -0.122 -0.766 3.045 1.00 0.00 C ATOM 1105 CG PHE A 72 0.019 -0.416 1.592 1.00 0.00 C ATOM 1106 CD1 PHE A 72 0.490 0.830 1.209 1.00 0.00 C ATOM 1107 CD2 PHE A 72 -0.317 -1.332 0.608 1.00 0.00 C ATOM 1108 CE1 PHE A 72 0.621 1.155 -0.128 1.00 0.00 C ATOM 1109 CE2 PHE A 72 -0.188 -1.012 -0.730 1.00 0.00 C ATOM 1110 CZ PHE A 72 0.283 0.233 -1.099 1.00 0.00 C ATOM 0 H PHE A 72 -1.983 -1.124 5.223 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.680 1.140 3.866 1.00 0.00 H new ATOM 0 HB2 PHE A 72 0.856 -0.705 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -0.455 -1.800 3.131 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.758 1.555 1.964 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.684 -2.308 0.890 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.988 2.130 -0.413 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.455 -1.735 -1.487 1.00 0.00 H new ATOM 0 HZ PHE A 72 0.387 0.485 -2.144 1.00 0.00 H new ATOM 1120 N SER A 73 -2.822 1.436 2.687 1.00 0.00 N ATOM 1121 CA SER A 73 -4.069 1.652 1.962 1.00 0.00 C ATOM 1122 C SER A 73 -3.854 2.594 0.781 1.00 0.00 C ATOM 1123 O SER A 73 -3.030 3.507 0.842 1.00 0.00 O ATOM 1124 CB SER A 73 -5.135 2.224 2.898 1.00 0.00 C ATOM 1125 OG SER A 73 -6.413 2.208 2.286 1.00 0.00 O ATOM 0 H SER A 73 -2.300 2.288 2.891 1.00 0.00 H new ATOM 0 HA SER A 73 -4.410 0.690 1.580 1.00 0.00 H new ATOM 0 HB2 SER A 73 -5.163 1.644 3.820 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.872 3.246 3.172 1.00 0.00 H new ATOM 0 HG SER A 73 -6.596 3.084 1.887 1.00 0.00 H new ATOM 1131 N PHE A 74 -4.602 2.365 -0.293 1.00 0.00 N ATOM 1132 CA PHE A 74 -4.494 3.192 -1.489 1.00 0.00 C ATOM 1133 C PHE A 74 -5.837 3.287 -2.208 1.00 0.00 C ATOM 1134 O PHE A 74 -6.773 2.552 -1.895 1.00 0.00 O ATOM 1135 CB PHE A 74 -3.436 2.621 -2.436 1.00 0.00 C ATOM 1136 CG PHE A 74 -3.604 1.153 -2.706 1.00 0.00 C ATOM 1137 CD1 PHE A 74 -4.432 0.712 -3.725 1.00 0.00 C ATOM 1138 CD2 PHE A 74 -2.931 0.213 -1.941 1.00 0.00 C ATOM 1139 CE1 PHE A 74 -4.589 -0.638 -3.975 1.00 0.00 C ATOM 1140 CE2 PHE A 74 -3.083 -1.139 -2.187 1.00 0.00 C ATOM 1141 CZ PHE A 74 -3.912 -1.564 -3.206 1.00 0.00 C ATOM 0 H PHE A 74 -5.289 1.614 -0.360 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.194 4.194 -1.181 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -3.475 3.163 -3.381 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.448 2.793 -2.010 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.961 1.432 -4.332 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -2.280 0.541 -1.144 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -5.240 -0.968 -4.771 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.554 -1.861 -1.583 1.00 0.00 H new ATOM 0 HZ PHE A 74 -4.031 -2.619 -3.401 1.00 0.00 H new ATOM 1151 N GLU A 75 -5.923 4.198 -3.171 1.00 0.00 N ATOM 1152 CA GLU A 75 -7.152 4.391 -3.933 1.00 0.00 C ATOM 1153 C GLU A 75 -6.908 4.171 -5.423 1.00 0.00 C ATOM 1154 O GLU A 75 -6.055 4.821 -6.026 1.00 0.00 O ATOM 1155 CB GLU A 75 -7.709 5.797 -3.698 1.00 0.00 C ATOM 1156 CG GLU A 75 -9.187 5.928 -4.026 1.00 0.00 C ATOM 1157 CD GLU A 75 -9.431 6.328 -5.468 1.00 0.00 C ATOM 1158 OE1 GLU A 75 -9.191 5.491 -6.363 1.00 0.00 O ATOM 1159 OE2 GLU A 75 -9.862 7.476 -5.701 1.00 0.00 O ATOM 0 H GLU A 75 -5.157 4.814 -3.443 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.881 3.657 -3.590 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.551 6.072 -2.655 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -7.147 6.508 -4.304 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.685 4.979 -3.827 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.638 6.669 -3.366 1.00 0.00 H new ATOM 1166 N SER A 76 -7.665 3.249 -6.010 1.00 0.00 N ATOM 1167 CA SER A 76 -7.529 2.939 -7.429 1.00 0.00 C ATOM 1168 C SER A 76 -8.628 3.617 -8.241 1.00 0.00 C ATOM 1169 O SER A 76 -9.810 3.512 -7.915 1.00 0.00 O ATOM 1170 CB SER A 76 -7.576 1.426 -7.649 1.00 0.00 C ATOM 1171 OG SER A 76 -6.557 0.771 -6.913 1.00 0.00 O ATOM 0 H SER A 76 -8.378 2.704 -5.525 1.00 0.00 H new ATOM 0 HA SER A 76 -6.565 3.318 -7.768 1.00 0.00 H new ATOM 0 HB2 SER A 76 -8.551 1.042 -7.348 1.00 0.00 H new ATOM 0 HB3 SER A 76 -7.461 1.206 -8.710 1.00 0.00 H new ATOM 0 HG SER A 76 -6.348 -0.088 -7.336 1.00 0.00 H new ATOM 1177 N GLY A 77 -8.229 4.313 -9.301 1.00 0.00 N ATOM 1178 CA GLY A 77 -9.191 4.998 -10.144 1.00 0.00 C ATOM 1179 C GLY A 77 -10.238 4.060 -10.711 1.00 0.00 C ATOM 1180 O GLY A 77 -10.418 2.948 -10.214 1.00 0.00 O ATOM 0 H GLY A 77 -7.256 4.415 -9.591 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.683 5.780 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.666 5.489 -10.963 1.00 0.00 H new ATOM 1184 N ARG A 78 -10.930 4.508 -11.753 1.00 0.00 N ATOM 1185 CA ARG A 78 -11.966 3.701 -12.386 1.00 0.00 C ATOM 1186 C ARG A 78 -11.404 2.934 -13.580 1.00 0.00 C ATOM 1187 O ARG A 78 -12.150 2.315 -14.338 1.00 0.00 O ATOM 1188 CB ARG A 78 -13.128 4.588 -12.837 1.00 0.00 C ATOM 1189 CG ARG A 78 -12.729 5.645 -13.854 1.00 0.00 C ATOM 1190 CD ARG A 78 -12.846 5.122 -15.277 1.00 0.00 C ATOM 1191 NE ARG A 78 -14.169 4.569 -15.550 1.00 0.00 N ATOM 1192 CZ ARG A 78 -14.440 3.790 -16.591 1.00 0.00 C ATOM 1193 NH1 ARG A 78 -13.483 3.473 -17.453 1.00 0.00 N ATOM 1194 NH2 ARG A 78 -15.670 3.325 -16.772 1.00 0.00 N ATOM 0 H ARG A 78 -10.792 5.425 -12.177 1.00 0.00 H new ATOM 0 HA ARG A 78 -12.330 2.981 -11.653 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -13.908 3.959 -13.266 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -13.558 5.080 -11.965 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -13.363 6.524 -13.735 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -11.704 5.964 -13.666 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -12.639 5.930 -15.978 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -12.091 4.354 -15.444 1.00 0.00 H new ATOM 0 HE ARG A 78 -14.927 4.793 -14.906 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.536 3.828 -17.317 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -13.694 2.875 -18.252 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -16.409 3.566 -16.111 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -15.877 2.727 -17.572 1.00 0.00 H new ATOM 1208 N ARG A 79 -10.086 2.982 -13.739 1.00 0.00 N ATOM 1209 CA ARG A 79 -9.424 2.293 -14.841 1.00 0.00 C ATOM 1210 C ARG A 79 -8.670 1.065 -14.340 1.00 0.00 C ATOM 1211 O ARG A 79 -7.478 0.904 -14.606 1.00 0.00 O ATOM 1212 CB ARG A 79 -8.459 3.240 -15.557 1.00 0.00 C ATOM 1213 CG ARG A 79 -9.062 4.599 -15.872 1.00 0.00 C ATOM 1214 CD ARG A 79 -8.013 5.564 -16.403 1.00 0.00 C ATOM 1215 NE ARG A 79 -8.464 6.952 -16.338 1.00 0.00 N ATOM 1216 CZ ARG A 79 -7.737 7.981 -16.759 1.00 0.00 C ATOM 1217 NH1 ARG A 79 -6.531 7.779 -17.272 1.00 0.00 N ATOM 1218 NH2 ARG A 79 -8.216 9.215 -16.667 1.00 0.00 N ATOM 0 H ARG A 79 -9.455 3.490 -13.119 1.00 0.00 H new ATOM 0 HA ARG A 79 -10.190 1.966 -15.544 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -7.573 3.380 -14.937 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -8.128 2.775 -16.485 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -9.858 4.484 -16.608 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -9.517 5.014 -14.973 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.094 5.454 -15.827 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -7.774 5.308 -17.435 1.00 0.00 H new ATOM 0 HE ARG A 79 -9.387 7.141 -15.948 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -6.160 6.832 -17.344 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -5.975 8.571 -17.595 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -9.143 9.374 -16.273 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -7.657 10.004 -16.991 1.00 0.00 H new ATOM 1232 N CYS A 80 -9.372 0.202 -13.614 1.00 0.00 N ATOM 1233 CA CYS A 80 -8.768 -1.012 -13.074 1.00 0.00 C ATOM 1234 C CYS A 80 -9.636 -2.230 -13.374 1.00 0.00 C ATOM 1235 O CYS A 80 -10.668 -2.121 -14.036 1.00 0.00 O ATOM 1236 CB CYS A 80 -8.562 -0.876 -11.565 1.00 0.00 C ATOM 1237 SG CYS A 80 -9.797 0.156 -10.741 1.00 0.00 S ATOM 0 H CYS A 80 -10.359 0.320 -13.386 1.00 0.00 H new ATOM 0 HA CYS A 80 -7.799 -1.152 -13.554 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -8.576 -1.869 -11.116 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -7.573 -0.457 -11.381 1.00 0.00 H new ATOM 0 HG CYS A 80 -9.477 1.409 -10.877 1.00 0.00 H new ATOM 1243 N GLN A 81 -9.209 -3.389 -12.883 1.00 0.00 N ATOM 1244 CA GLN A 81 -9.946 -4.628 -13.101 1.00 0.00 C ATOM 1245 C GLN A 81 -11.007 -4.827 -12.024 1.00 0.00 C ATOM 1246 O GLN A 81 -11.970 -5.570 -12.215 1.00 0.00 O ATOM 1247 CB GLN A 81 -8.988 -5.820 -13.116 1.00 0.00 C ATOM 1248 CG GLN A 81 -9.583 -7.071 -13.741 1.00 0.00 C ATOM 1249 CD GLN A 81 -8.723 -8.300 -13.519 1.00 0.00 C ATOM 1250 OE1 GLN A 81 -8.331 -8.978 -14.470 1.00 0.00 O ATOM 1251 NE2 GLN A 81 -8.425 -8.595 -12.259 1.00 0.00 N ATOM 0 H GLN A 81 -8.357 -3.496 -12.332 1.00 0.00 H new ATOM 0 HA GLN A 81 -10.444 -4.559 -14.068 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -8.087 -5.544 -13.663 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -8.684 -6.044 -12.093 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -10.574 -7.245 -13.322 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -9.713 -6.911 -14.811 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -8.771 -8.006 -11.502 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -7.850 -9.411 -12.048 1.00 0.00 H new ATOM 1260 N THR A 82 -10.825 -4.157 -10.890 1.00 0.00 N ATOM 1261 CA THR A 82 -11.766 -4.261 -9.781 1.00 0.00 C ATOM 1262 C THR A 82 -12.802 -3.144 -9.833 1.00 0.00 C ATOM 1263 O THR A 82 -13.991 -3.377 -9.623 1.00 0.00 O ATOM 1264 CB THR A 82 -11.041 -4.211 -8.423 1.00 0.00 C ATOM 1265 OG1 THR A 82 -10.693 -2.859 -8.103 1.00 0.00 O ATOM 1266 CG2 THR A 82 -9.786 -5.071 -8.447 1.00 0.00 C ATOM 0 H THR A 82 -10.034 -3.537 -10.715 1.00 0.00 H new ATOM 0 HA THR A 82 -12.268 -5.223 -9.881 1.00 0.00 H new ATOM 0 HB THR A 82 -11.716 -4.602 -7.661 1.00 0.00 H new ATOM 0 HG1 THR A 82 -10.379 -2.813 -7.176 1.00 0.00 H new ATOM 0 HG21 THR A 82 -9.291 -5.020 -7.477 1.00 0.00 H new ATOM 0 HG22 THR A 82 -10.057 -6.105 -8.662 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.109 -4.706 -9.219 1.00 0.00 H new ATOM 1274 N GLY A 83 -12.342 -1.928 -10.115 1.00 0.00 N ATOM 1275 CA GLY A 83 -13.243 -0.793 -10.189 1.00 0.00 C ATOM 1276 C GLY A 83 -12.949 0.251 -9.130 1.00 0.00 C ATOM 1277 O GLY A 83 -12.265 -0.030 -8.147 1.00 0.00 O ATOM 0 H GLY A 83 -11.362 -1.709 -10.293 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -13.167 -0.336 -11.176 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -14.270 -1.140 -10.077 1.00 0.00 H new ATOM 1281 N GLN A 84 -13.465 1.458 -9.333 1.00 0.00 N ATOM 1282 CA GLN A 84 -13.252 2.548 -8.388 1.00 0.00 C ATOM 1283 C GLN A 84 -13.558 2.100 -6.962 1.00 0.00 C ATOM 1284 O GLN A 84 -14.681 1.707 -6.652 1.00 0.00 O ATOM 1285 CB GLN A 84 -14.125 3.749 -8.756 1.00 0.00 C ATOM 1286 CG GLN A 84 -13.697 5.042 -8.081 1.00 0.00 C ATOM 1287 CD GLN A 84 -14.295 6.270 -8.739 1.00 0.00 C ATOM 1288 OE1 GLN A 84 -15.367 6.205 -9.342 1.00 0.00 O ATOM 1289 NE2 GLN A 84 -13.604 7.398 -8.626 1.00 0.00 N ATOM 0 H GLN A 84 -14.033 1.706 -10.143 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.203 2.841 -8.441 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -14.100 3.888 -9.837 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -15.159 3.533 -8.486 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -13.994 5.015 -7.033 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -12.610 5.116 -8.103 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.720 7.406 -8.117 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -13.957 8.257 -9.048 1.00 0.00 H new ATOM 1298 N GLY A 85 -12.549 2.163 -6.098 1.00 0.00 N ATOM 1299 CA GLY A 85 -12.731 1.760 -4.716 1.00 0.00 C ATOM 1300 C GLY A 85 -11.455 1.875 -3.906 1.00 0.00 C ATOM 1301 O GLY A 85 -10.401 2.222 -4.441 1.00 0.00 O ATOM 0 H GLY A 85 -11.610 2.486 -6.331 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -13.504 2.378 -4.259 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -13.086 0.730 -4.685 1.00 0.00 H new ATOM 1305 N ILE A 86 -11.548 1.584 -2.613 1.00 0.00 N ATOM 1306 CA ILE A 86 -10.392 1.657 -1.729 1.00 0.00 C ATOM 1307 C ILE A 86 -10.076 0.293 -1.124 1.00 0.00 C ATOM 1308 O ILE A 86 -10.976 -0.501 -0.852 1.00 0.00 O ATOM 1309 CB ILE A 86 -10.616 2.671 -0.591 1.00 0.00 C ATOM 1310 CG1 ILE A 86 -10.604 4.098 -1.142 1.00 0.00 C ATOM 1311 CG2 ILE A 86 -9.553 2.503 0.484 1.00 0.00 C ATOM 1312 CD1 ILE A 86 -11.442 5.064 -0.334 1.00 0.00 C ATOM 0 H ILE A 86 -12.412 1.295 -2.154 1.00 0.00 H new ATOM 0 HA ILE A 86 -9.550 1.986 -2.338 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.591 2.483 -0.142 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.576 4.459 -1.172 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -10.968 4.085 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.724 3.226 1.281 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.605 1.494 0.892 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.567 2.669 0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.387 6.056 -0.782 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -12.479 4.727 -0.325 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -11.065 5.106 0.688 1.00 0.00 H new ATOM 1324 N PHE A 87 -8.790 0.028 -0.914 1.00 0.00 N ATOM 1325 CA PHE A 87 -8.355 -1.239 -0.340 1.00 0.00 C ATOM 1326 C PHE A 87 -7.246 -1.020 0.685 1.00 0.00 C ATOM 1327 O PHE A 87 -6.305 -0.264 0.446 1.00 0.00 O ATOM 1328 CB PHE A 87 -7.866 -2.181 -1.442 1.00 0.00 C ATOM 1329 CG PHE A 87 -8.827 -2.311 -2.590 1.00 0.00 C ATOM 1330 CD1 PHE A 87 -10.109 -2.795 -2.385 1.00 0.00 C ATOM 1331 CD2 PHE A 87 -8.448 -1.949 -3.872 1.00 0.00 C ATOM 1332 CE1 PHE A 87 -10.994 -2.916 -3.439 1.00 0.00 C ATOM 1333 CE2 PHE A 87 -9.329 -2.068 -4.930 1.00 0.00 C ATOM 1334 CZ PHE A 87 -10.605 -2.551 -4.713 1.00 0.00 C ATOM 0 H PHE A 87 -8.032 0.674 -1.133 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.208 -1.692 0.165 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -6.909 -1.820 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -7.689 -3.167 -1.014 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.420 -3.081 -1.391 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -7.452 -1.569 -4.047 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.990 -3.296 -3.267 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -9.020 -1.784 -5.925 1.00 0.00 H new ATOM 0 HZ PHE A 87 -11.297 -2.643 -5.537 1.00 0.00 H new ATOM 1344 N ALA A 88 -7.366 -1.686 1.829 1.00 0.00 N ATOM 1345 CA ALA A 88 -6.374 -1.566 2.891 1.00 0.00 C ATOM 1346 C ALA A 88 -5.872 -2.936 3.331 1.00 0.00 C ATOM 1347 O ALA A 88 -6.654 -3.873 3.494 1.00 0.00 O ATOM 1348 CB ALA A 88 -6.959 -0.810 4.075 1.00 0.00 C ATOM 0 H ALA A 88 -8.140 -2.314 2.044 1.00 0.00 H new ATOM 0 HA ALA A 88 -5.524 -1.006 2.500 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -6.208 -0.727 4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -7.262 0.187 3.756 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.827 -1.348 4.457 1.00 0.00 H new ATOM 1354 N PHE A 89 -4.561 -3.048 3.521 1.00 0.00 N ATOM 1355 CA PHE A 89 -3.954 -4.305 3.940 1.00 0.00 C ATOM 1356 C PHE A 89 -3.094 -4.106 5.185 1.00 0.00 C ATOM 1357 O PHE A 89 -2.643 -2.996 5.471 1.00 0.00 O ATOM 1358 CB PHE A 89 -3.105 -4.889 2.809 1.00 0.00 C ATOM 1359 CG PHE A 89 -3.836 -4.986 1.500 1.00 0.00 C ATOM 1360 CD1 PHE A 89 -4.134 -3.846 0.771 1.00 0.00 C ATOM 1361 CD2 PHE A 89 -4.225 -6.218 0.999 1.00 0.00 C ATOM 1362 CE1 PHE A 89 -4.806 -3.933 -0.433 1.00 0.00 C ATOM 1363 CE2 PHE A 89 -4.897 -6.311 -0.205 1.00 0.00 C ATOM 1364 CZ PHE A 89 -5.189 -5.166 -0.922 1.00 0.00 C ATOM 0 H PHE A 89 -3.899 -2.283 3.391 1.00 0.00 H new ATOM 0 HA PHE A 89 -4.756 -5.003 4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -2.217 -4.271 2.675 1.00 0.00 H new ATOM 0 HB3 PHE A 89 -2.761 -5.882 3.099 1.00 0.00 H new ATOM 0 HD1 PHE A 89 -3.838 -2.878 1.148 1.00 0.00 H new ATOM 0 HD2 PHE A 89 -4.000 -7.116 1.556 1.00 0.00 H new ATOM 0 HE1 PHE A 89 -5.032 -3.037 -0.992 1.00 0.00 H new ATOM 0 HE2 PHE A 89 -5.194 -7.277 -0.585 1.00 0.00 H new ATOM 0 HZ PHE A 89 -5.715 -5.236 -1.862 1.00 0.00 H new ATOM 1374 N LYS A 90 -2.872 -5.188 5.923 1.00 0.00 N ATOM 1375 CA LYS A 90 -2.066 -5.134 7.137 1.00 0.00 C ATOM 1376 C LYS A 90 -0.681 -5.726 6.897 1.00 0.00 C ATOM 1377 O LYS A 90 -0.551 -6.885 6.500 1.00 0.00 O ATOM 1378 CB LYS A 90 -2.765 -5.888 8.271 1.00 0.00 C ATOM 1379 CG LYS A 90 -2.311 -5.460 9.656 1.00 0.00 C ATOM 1380 CD LYS A 90 -3.123 -6.142 10.744 1.00 0.00 C ATOM 1381 CE LYS A 90 -3.180 -5.298 12.009 1.00 0.00 C ATOM 1382 NZ LYS A 90 -2.011 -5.550 12.896 1.00 0.00 N ATOM 0 H LYS A 90 -3.239 -6.114 5.702 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.951 -4.088 7.421 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -3.841 -5.737 8.188 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.583 -6.956 8.152 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -1.255 -5.700 9.784 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -2.406 -4.379 9.753 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.135 -6.327 10.383 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -2.684 -7.113 10.973 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -3.211 -4.242 11.740 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -4.101 -5.516 12.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -2.086 -4.957 13.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.995 -6.552 13.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.134 -5.317 12.388 1.00 0.00 H new ATOM 1396 N CYS A 91 0.350 -4.925 7.143 1.00 0.00 N ATOM 1397 CA CYS A 91 1.726 -5.371 6.954 1.00 0.00 C ATOM 1398 C CYS A 91 2.666 -4.656 7.920 1.00 0.00 C ATOM 1399 O CYS A 91 2.242 -3.797 8.693 1.00 0.00 O ATOM 1400 CB CYS A 91 2.171 -5.122 5.512 1.00 0.00 C ATOM 1401 SG CYS A 91 1.626 -3.537 4.834 1.00 0.00 S ATOM 0 H CYS A 91 0.259 -3.964 7.473 1.00 0.00 H new ATOM 0 HA CYS A 91 1.767 -6.441 7.160 1.00 0.00 H new ATOM 0 HB2 CYS A 91 3.259 -5.170 5.466 1.00 0.00 H new ATOM 0 HB3 CYS A 91 1.789 -5.925 4.882 1.00 0.00 H new ATOM 0 HG CYS A 91 2.053 -3.418 3.612 1.00 0.00 H new ATOM 1407 N SER A 92 3.944 -5.018 7.870 1.00 0.00 N ATOM 1408 CA SER A 92 4.944 -4.415 8.744 1.00 0.00 C ATOM 1409 C SER A 92 5.998 -3.671 7.931 1.00 0.00 C ATOM 1410 O SER A 92 6.683 -2.786 8.444 1.00 0.00 O ATOM 1411 CB SER A 92 5.611 -5.488 9.606 1.00 0.00 C ATOM 1412 OG SER A 92 6.368 -6.384 8.810 1.00 0.00 O ATOM 0 H SER A 92 4.311 -5.726 7.234 1.00 0.00 H new ATOM 0 HA SER A 92 4.440 -3.699 9.393 1.00 0.00 H new ATOM 0 HB2 SER A 92 6.259 -5.015 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 92 4.850 -6.040 10.158 1.00 0.00 H new ATOM 0 HG SER A 92 6.786 -7.059 9.385 1.00 0.00 H new ATOM 1418 N ARG A 93 6.123 -4.037 6.659 1.00 0.00 N ATOM 1419 CA ARG A 93 7.095 -3.406 5.775 1.00 0.00 C ATOM 1420 C ARG A 93 6.422 -2.369 4.880 1.00 0.00 C ATOM 1421 O ARG A 93 6.933 -2.030 3.813 1.00 0.00 O ATOM 1422 CB ARG A 93 7.794 -4.460 4.915 1.00 0.00 C ATOM 1423 CG ARG A 93 8.699 -5.389 5.707 1.00 0.00 C ATOM 1424 CD ARG A 93 9.610 -6.193 4.792 1.00 0.00 C ATOM 1425 NE ARG A 93 10.829 -5.462 4.454 1.00 0.00 N ATOM 1426 CZ ARG A 93 11.795 -5.200 5.329 1.00 0.00 C ATOM 1427 NH1 ARG A 93 11.683 -5.607 6.586 1.00 0.00 N ATOM 1428 NH2 ARG A 93 12.874 -4.531 4.946 1.00 0.00 N ATOM 0 H ARG A 93 5.563 -4.767 6.218 1.00 0.00 H new ATOM 0 HA ARG A 93 7.837 -2.901 6.393 1.00 0.00 H new ATOM 0 HB2 ARG A 93 7.040 -5.054 4.399 1.00 0.00 H new ATOM 0 HB3 ARG A 93 8.384 -3.958 4.148 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.303 -4.805 6.402 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.091 -6.068 6.305 1.00 0.00 H new ATOM 0 HD2 ARG A 93 9.874 -7.133 5.277 1.00 0.00 H new ATOM 0 HD3 ARG A 93 9.074 -6.446 3.877 1.00 0.00 H new ATOM 0 HE ARG A 93 10.945 -5.135 3.495 1.00 0.00 H new ATOM 0 HH11 ARG A 93 10.854 -6.122 6.883 1.00 0.00 H new ATOM 0 HH12 ARG A 93 12.425 -5.405 7.256 1.00 0.00 H new ATOM 0 HH21 ARG A 93 12.963 -4.217 3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 93 13.615 -4.330 5.618 1.00 0.00 H new ATOM 1442 N ALA A 94 5.273 -1.869 5.323 1.00 0.00 N ATOM 1443 CA ALA A 94 4.531 -0.870 4.563 1.00 0.00 C ATOM 1444 C ALA A 94 5.432 0.292 4.158 1.00 0.00 C ATOM 1445 O ALA A 94 5.442 0.705 2.999 1.00 0.00 O ATOM 1446 CB ALA A 94 3.346 -0.364 5.373 1.00 0.00 C ATOM 0 H ALA A 94 4.836 -2.139 6.204 1.00 0.00 H new ATOM 0 HA ALA A 94 4.160 -1.342 3.653 1.00 0.00 H new ATOM 0 HB1 ALA A 94 2.801 0.381 4.794 1.00 0.00 H new ATOM 0 HB2 ALA A 94 2.683 -1.197 5.608 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.704 0.087 6.299 1.00 0.00 H new ATOM 1452 N GLU A 95 6.186 0.813 5.120 1.00 0.00 N ATOM 1453 CA GLU A 95 7.089 1.929 4.862 1.00 0.00 C ATOM 1454 C GLU A 95 7.870 1.709 3.569 1.00 0.00 C ATOM 1455 O GLU A 95 8.179 2.658 2.850 1.00 0.00 O ATOM 1456 CB GLU A 95 8.058 2.111 6.032 1.00 0.00 C ATOM 1457 CG GLU A 95 8.915 3.361 5.924 1.00 0.00 C ATOM 1458 CD GLU A 95 9.848 3.533 7.106 1.00 0.00 C ATOM 1459 OE1 GLU A 95 9.349 3.761 8.228 1.00 0.00 O ATOM 1460 OE2 GLU A 95 11.077 3.439 6.910 1.00 0.00 O ATOM 0 H GLU A 95 6.190 0.481 6.084 1.00 0.00 H new ATOM 0 HA GLU A 95 6.488 2.832 4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 95 7.489 2.150 6.961 1.00 0.00 H new ATOM 0 HB3 GLU A 95 8.709 1.239 6.093 1.00 0.00 H new ATOM 0 HG2 GLU A 95 9.502 3.316 5.006 1.00 0.00 H new ATOM 0 HG3 GLU A 95 8.268 4.235 5.847 1.00 0.00 H new ATOM 1467 N GLU A 96 8.186 0.450 3.283 1.00 0.00 N ATOM 1468 CA GLU A 96 8.932 0.106 2.078 1.00 0.00 C ATOM 1469 C GLU A 96 8.039 0.187 0.843 1.00 0.00 C ATOM 1470 O GLU A 96 8.348 0.899 -0.113 1.00 0.00 O ATOM 1471 CB GLU A 96 9.522 -1.301 2.202 1.00 0.00 C ATOM 1472 CG GLU A 96 10.678 -1.391 3.184 1.00 0.00 C ATOM 1473 CD GLU A 96 11.671 -2.476 2.817 1.00 0.00 C ATOM 1474 OE1 GLU A 96 11.231 -3.597 2.487 1.00 0.00 O ATOM 1475 OE2 GLU A 96 12.890 -2.204 2.860 1.00 0.00 O ATOM 0 H GLU A 96 7.938 -0.348 3.868 1.00 0.00 H new ATOM 0 HA GLU A 96 9.743 0.825 1.966 1.00 0.00 H new ATOM 0 HB2 GLU A 96 8.736 -1.989 2.514 1.00 0.00 H new ATOM 0 HB3 GLU A 96 9.863 -1.631 1.221 1.00 0.00 H new ATOM 0 HG2 GLU A 96 11.192 -0.431 3.223 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.287 -1.584 4.183 1.00 0.00 H new ATOM 1482 N ILE A 97 6.931 -0.547 0.871 1.00 0.00 N ATOM 1483 CA ILE A 97 5.994 -0.557 -0.244 1.00 0.00 C ATOM 1484 C ILE A 97 5.575 0.859 -0.624 1.00 0.00 C ATOM 1485 O ILE A 97 5.574 1.224 -1.800 1.00 0.00 O ATOM 1486 CB ILE A 97 4.735 -1.381 0.085 1.00 0.00 C ATOM 1487 CG1 ILE A 97 5.119 -2.820 0.437 1.00 0.00 C ATOM 1488 CG2 ILE A 97 3.764 -1.357 -1.086 1.00 0.00 C ATOM 1489 CD1 ILE A 97 3.975 -3.628 1.009 1.00 0.00 C ATOM 0 H ILE A 97 6.661 -1.142 1.654 1.00 0.00 H new ATOM 0 HA ILE A 97 6.511 -1.019 -1.085 1.00 0.00 H new ATOM 0 HB ILE A 97 4.242 -0.934 0.949 1.00 0.00 H new ATOM 0 HG12 ILE A 97 5.492 -3.317 -0.458 1.00 0.00 H new ATOM 0 HG13 ILE A 97 5.937 -2.803 1.157 1.00 0.00 H new ATOM 0 HG21 ILE A 97 2.880 -1.944 -0.837 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.470 -0.328 -1.294 1.00 0.00 H new ATOM 0 HG23 ILE A 97 4.246 -1.782 -1.967 1.00 0.00 H new ATOM 0 HD11 ILE A 97 4.320 -4.637 1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.616 -3.154 1.922 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.164 -3.676 0.282 1.00 0.00 H new ATOM 1501 N PHE A 98 5.222 1.655 0.380 1.00 0.00 N ATOM 1502 CA PHE A 98 4.802 3.033 0.152 1.00 0.00 C ATOM 1503 C PHE A 98 5.922 3.843 -0.494 1.00 0.00 C ATOM 1504 O PHE A 98 5.730 4.468 -1.536 1.00 0.00 O ATOM 1505 CB PHE A 98 4.381 3.685 1.470 1.00 0.00 C ATOM 1506 CG PHE A 98 4.286 5.182 1.396 1.00 0.00 C ATOM 1507 CD1 PHE A 98 3.158 5.793 0.872 1.00 0.00 C ATOM 1508 CD2 PHE A 98 5.326 5.978 1.848 1.00 0.00 C ATOM 1509 CE1 PHE A 98 3.068 7.170 0.803 1.00 0.00 C ATOM 1510 CE2 PHE A 98 5.241 7.356 1.781 1.00 0.00 C ATOM 1511 CZ PHE A 98 4.111 7.953 1.257 1.00 0.00 C ATOM 0 H PHE A 98 5.218 1.370 1.359 1.00 0.00 H new ATOM 0 HA PHE A 98 3.949 3.019 -0.527 1.00 0.00 H new ATOM 0 HB2 PHE A 98 3.414 3.282 1.773 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.097 3.412 2.246 1.00 0.00 H new ATOM 0 HD1 PHE A 98 2.340 5.186 0.513 1.00 0.00 H new ATOM 0 HD2 PHE A 98 6.213 5.517 2.257 1.00 0.00 H new ATOM 0 HE1 PHE A 98 2.182 7.634 0.394 1.00 0.00 H new ATOM 0 HE2 PHE A 98 6.058 7.966 2.138 1.00 0.00 H new ATOM 0 HZ PHE A 98 4.043 9.029 1.202 1.00 0.00 H new ATOM 1521 N ASN A 99 7.094 3.827 0.134 1.00 0.00 N ATOM 1522 CA ASN A 99 8.246 4.561 -0.378 1.00 0.00 C ATOM 1523 C ASN A 99 8.623 4.076 -1.774 1.00 0.00 C ATOM 1524 O ASN A 99 9.079 4.855 -2.612 1.00 0.00 O ATOM 1525 CB ASN A 99 9.438 4.404 0.568 1.00 0.00 C ATOM 1526 CG ASN A 99 9.221 5.108 1.893 1.00 0.00 C ATOM 1527 OD1 ASN A 99 8.557 6.142 1.958 1.00 0.00 O ATOM 1528 ND2 ASN A 99 9.783 4.549 2.959 1.00 0.00 N ATOM 0 H ASN A 99 7.271 3.314 0.998 1.00 0.00 H new ATOM 0 HA ASN A 99 7.976 5.615 -0.440 1.00 0.00 H new ATOM 0 HB2 ASN A 99 9.618 3.344 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 99 10.333 4.803 0.090 1.00 0.00 H new ATOM 0 HD21 ASN A 99 9.672 4.978 3.878 1.00 0.00 H new ATOM 0 HD22 ASN A 99 10.325 3.691 2.859 1.00 0.00 H new ATOM 1535 N LEU A 100 8.429 2.785 -2.018 1.00 0.00 N ATOM 1536 CA LEU A 100 8.748 2.195 -3.314 1.00 0.00 C ATOM 1537 C LEU A 100 7.730 2.616 -4.369 1.00 0.00 C ATOM 1538 O LEU A 100 8.089 2.919 -5.508 1.00 0.00 O ATOM 1539 CB LEU A 100 8.786 0.669 -3.206 1.00 0.00 C ATOM 1540 CG LEU A 100 8.997 -0.091 -4.516 1.00 0.00 C ATOM 1541 CD1 LEU A 100 10.395 0.162 -5.061 1.00 0.00 C ATOM 1542 CD2 LEU A 100 8.764 -1.581 -4.311 1.00 0.00 C ATOM 0 H LEU A 100 8.053 2.127 -1.336 1.00 0.00 H new ATOM 0 HA LEU A 100 9.730 2.556 -3.619 1.00 0.00 H new ATOM 0 HB2 LEU A 100 9.584 0.393 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 100 7.850 0.333 -2.761 1.00 0.00 H new ATOM 0 HG LEU A 100 8.274 0.273 -5.246 1.00 0.00 H new ATOM 0 HD11 LEU A 100 10.527 -0.387 -5.993 1.00 0.00 H new ATOM 0 HD12 LEU A 100 10.526 1.228 -5.246 1.00 0.00 H new ATOM 0 HD13 LEU A 100 11.135 -0.174 -4.335 1.00 0.00 H new ATOM 0 HD21 LEU A 100 8.918 -2.106 -5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 100 9.463 -1.959 -3.566 1.00 0.00 H new ATOM 0 HD23 LEU A 100 7.743 -1.746 -3.967 1.00 0.00 H new ATOM 1554 N LEU A 101 6.459 2.634 -3.984 1.00 0.00 N ATOM 1555 CA LEU A 101 5.388 3.020 -4.896 1.00 0.00 C ATOM 1556 C LEU A 101 5.582 4.451 -5.389 1.00 0.00 C ATOM 1557 O LEU A 101 5.562 4.710 -6.591 1.00 0.00 O ATOM 1558 CB LEU A 101 4.030 2.886 -4.205 1.00 0.00 C ATOM 1559 CG LEU A 101 2.802 3.096 -5.092 1.00 0.00 C ATOM 1560 CD1 LEU A 101 2.667 1.961 -6.095 1.00 0.00 C ATOM 1561 CD2 LEU A 101 1.544 3.213 -4.243 1.00 0.00 C ATOM 0 H LEU A 101 6.145 2.386 -3.046 1.00 0.00 H new ATOM 0 HA LEU A 101 5.418 2.352 -5.757 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.967 1.892 -3.761 1.00 0.00 H new ATOM 0 HB3 LEU A 101 3.989 3.604 -3.386 1.00 0.00 H new ATOM 0 HG LEU A 101 2.932 4.027 -5.644 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.788 2.128 -6.717 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.556 1.925 -6.725 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.561 1.016 -5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.680 3.362 -4.891 1.00 0.00 H new ATOM 0 HD22 LEU A 101 1.410 2.299 -3.664 1.00 0.00 H new ATOM 0 HD23 LEU A 101 1.640 4.061 -3.565 1.00 0.00 H new ATOM 1573 N GLN A 102 5.771 5.373 -4.451 1.00 0.00 N ATOM 1574 CA GLN A 102 5.971 6.777 -4.791 1.00 0.00 C ATOM 1575 C GLN A 102 7.219 6.958 -5.648 1.00 0.00 C ATOM 1576 O GLN A 102 7.313 7.901 -6.434 1.00 0.00 O ATOM 1577 CB GLN A 102 6.085 7.620 -3.520 1.00 0.00 C ATOM 1578 CG GLN A 102 7.300 7.281 -2.672 1.00 0.00 C ATOM 1579 CD GLN A 102 7.816 8.472 -1.889 1.00 0.00 C ATOM 1580 OE1 GLN A 102 7.321 9.590 -2.038 1.00 0.00 O ATOM 1581 NE2 GLN A 102 8.817 8.239 -1.047 1.00 0.00 N ATOM 0 H GLN A 102 5.790 5.174 -3.451 1.00 0.00 H new ATOM 0 HA GLN A 102 5.107 7.112 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 102 6.127 8.674 -3.796 1.00 0.00 H new ATOM 0 HB3 GLN A 102 5.185 7.483 -2.921 1.00 0.00 H new ATOM 0 HG2 GLN A 102 7.043 6.480 -1.979 1.00 0.00 H new ATOM 0 HG3 GLN A 102 8.094 6.903 -3.316 1.00 0.00 H new ATOM 0 HE21 GLN A 102 9.197 7.297 -0.955 1.00 0.00 H new ATOM 0 HE22 GLN A 102 9.205 9.002 -0.493 1.00 0.00 H new ATOM 1590 N ASP A 103 8.175 6.049 -5.492 1.00 0.00 N ATOM 1591 CA ASP A 103 9.417 6.107 -6.253 1.00 0.00 C ATOM 1592 C ASP A 103 9.208 5.598 -7.675 1.00 0.00 C ATOM 1593 O ASP A 103 9.530 6.285 -8.646 1.00 0.00 O ATOM 1594 CB ASP A 103 10.504 5.285 -5.558 1.00 0.00 C ATOM 1595 CG ASP A 103 11.310 6.107 -4.571 1.00 0.00 C ATOM 1596 OD1 ASP A 103 10.861 6.252 -3.415 1.00 0.00 O ATOM 1597 OD2 ASP A 103 12.389 6.606 -4.955 1.00 0.00 O ATOM 0 H ASP A 103 8.113 5.263 -4.845 1.00 0.00 H new ATOM 0 HA ASP A 103 9.735 7.148 -6.303 1.00 0.00 H new ATOM 0 HB2 ASP A 103 10.043 4.446 -5.037 1.00 0.00 H new ATOM 0 HB3 ASP A 103 11.174 4.865 -6.309 1.00 0.00 H new ATOM 1602 N LEU A 104 8.668 4.390 -7.792 1.00 0.00 N ATOM 1603 CA LEU A 104 8.416 3.788 -9.097 1.00 0.00 C ATOM 1604 C LEU A 104 7.645 4.746 -10.000 1.00 0.00 C ATOM 1605 O LEU A 104 7.714 4.650 -11.225 1.00 0.00 O ATOM 1606 CB LEU A 104 7.636 2.482 -8.936 1.00 0.00 C ATOM 1607 CG LEU A 104 8.383 1.333 -8.258 1.00 0.00 C ATOM 1608 CD1 LEU A 104 7.469 0.130 -8.083 1.00 0.00 C ATOM 1609 CD2 LEU A 104 9.619 0.953 -9.061 1.00 0.00 C ATOM 0 H LEU A 104 8.396 3.808 -7.000 1.00 0.00 H new ATOM 0 HA LEU A 104 9.378 3.575 -9.563 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.733 2.690 -8.362 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.317 2.149 -9.924 1.00 0.00 H new ATOM 0 HG LEU A 104 8.703 1.666 -7.271 1.00 0.00 H new ATOM 0 HD11 LEU A 104 8.019 -0.677 -7.599 1.00 0.00 H new ATOM 0 HD12 LEU A 104 6.615 0.409 -7.466 1.00 0.00 H new ATOM 0 HD13 LEU A 104 7.117 -0.205 -9.059 1.00 0.00 H new ATOM 0 HD21 LEU A 104 10.138 0.134 -8.564 1.00 0.00 H new ATOM 0 HD22 LEU A 104 9.321 0.639 -10.061 1.00 0.00 H new ATOM 0 HD23 LEU A 104 10.284 1.813 -9.134 1.00 0.00 H new ATOM 1621 N MET A 105 6.913 5.670 -9.385 1.00 0.00 N ATOM 1622 CA MET A 105 6.132 6.648 -10.134 1.00 0.00 C ATOM 1623 C MET A 105 6.998 7.835 -10.544 1.00 0.00 C ATOM 1624 O MET A 105 7.222 8.069 -11.732 1.00 0.00 O ATOM 1625 CB MET A 105 4.945 7.131 -9.299 1.00 0.00 C ATOM 1626 CG MET A 105 4.009 6.013 -8.870 1.00 0.00 C ATOM 1627 SD MET A 105 2.952 6.485 -7.487 1.00 0.00 S ATOM 1628 CE MET A 105 1.517 7.113 -8.356 1.00 0.00 C ATOM 0 H MET A 105 6.845 5.762 -8.371 1.00 0.00 H new ATOM 0 HA MET A 105 5.759 6.165 -11.037 1.00 0.00 H new ATOM 0 HB2 MET A 105 5.319 7.641 -8.411 1.00 0.00 H new ATOM 0 HB3 MET A 105 4.381 7.865 -9.875 1.00 0.00 H new ATOM 0 HG2 MET A 105 3.386 5.721 -9.716 1.00 0.00 H new ATOM 0 HG3 MET A 105 4.597 5.139 -8.591 1.00 0.00 H new ATOM 0 HE1 MET A 105 0.778 7.461 -7.634 1.00 0.00 H new ATOM 0 HE2 MET A 105 1.815 7.941 -8.999 1.00 0.00 H new ATOM 0 HE3 MET A 105 1.084 6.319 -8.964 1.00 0.00 H new ATOM 1638 N GLN A 106 7.480 8.580 -9.555 1.00 0.00 N ATOM 1639 CA GLN A 106 8.319 9.744 -9.815 1.00 0.00 C ATOM 1640 C GLN A 106 9.428 9.405 -10.806 1.00 0.00 C ATOM 1641 O GLN A 106 9.700 10.168 -11.733 1.00 0.00 O ATOM 1642 CB GLN A 106 8.926 10.263 -8.511 1.00 0.00 C ATOM 1643 CG GLN A 106 9.493 9.166 -7.624 1.00 0.00 C ATOM 1644 CD GLN A 106 10.975 8.941 -7.850 1.00 0.00 C ATOM 1645 OE1 GLN A 106 11.401 7.842 -8.207 1.00 0.00 O ATOM 1646 NE2 GLN A 106 11.771 9.984 -7.644 1.00 0.00 N ATOM 0 H GLN A 106 7.304 8.399 -8.567 1.00 0.00 H new ATOM 0 HA GLN A 106 7.692 10.522 -10.251 1.00 0.00 H new ATOM 0 HB2 GLN A 106 9.718 10.974 -8.746 1.00 0.00 H new ATOM 0 HB3 GLN A 106 8.162 10.809 -7.957 1.00 0.00 H new ATOM 0 HG2 GLN A 106 9.324 9.425 -6.579 1.00 0.00 H new ATOM 0 HG3 GLN A 106 8.955 8.237 -7.813 1.00 0.00 H new ATOM 0 HE21 GLN A 106 11.376 10.877 -7.349 1.00 0.00 H new ATOM 0 HE22 GLN A 106 12.778 9.892 -7.781 1.00 0.00 H new ATOM 2022 N PHE A 136 -12.599 -6.871 -0.504 1.00 0.00 N ATOM 2023 CA PHE A 136 -13.703 -6.080 0.026 1.00 0.00 C ATOM 2024 C PHE A 136 -13.458 -4.590 -0.192 1.00 0.00 C ATOM 2025 O PHE A 136 -12.473 -4.034 0.294 1.00 0.00 O ATOM 2026 CB PHE A 136 -13.892 -6.364 1.518 1.00 0.00 C ATOM 2027 CG PHE A 136 -14.853 -5.426 2.190 1.00 0.00 C ATOM 2028 CD1 PHE A 136 -14.432 -4.181 2.632 1.00 0.00 C ATOM 2029 CD2 PHE A 136 -16.176 -5.788 2.381 1.00 0.00 C ATOM 2030 CE1 PHE A 136 -15.313 -3.315 3.250 1.00 0.00 C ATOM 2031 CE2 PHE A 136 -17.062 -4.926 2.999 1.00 0.00 C ATOM 2032 CZ PHE A 136 -16.630 -3.688 3.435 1.00 0.00 C ATOM 0 HA PHE A 136 -14.610 -6.364 -0.509 1.00 0.00 H new ATOM 0 HB2 PHE A 136 -14.248 -7.387 1.643 1.00 0.00 H new ATOM 0 HB3 PHE A 136 -12.925 -6.300 2.017 1.00 0.00 H new ATOM 0 HD1 PHE A 136 -13.403 -3.885 2.491 1.00 0.00 H new ATOM 0 HD2 PHE A 136 -16.519 -6.755 2.043 1.00 0.00 H new ATOM 0 HE1 PHE A 136 -14.972 -2.347 3.588 1.00 0.00 H new ATOM 0 HE2 PHE A 136 -18.091 -5.220 3.141 1.00 0.00 H new ATOM 0 HZ PHE A 136 -17.321 -3.014 3.919 1.00 0.00 H new ATOM 2042 N ARG A 137 -14.361 -3.949 -0.926 1.00 0.00 N ATOM 2043 CA ARG A 137 -14.243 -2.524 -1.211 1.00 0.00 C ATOM 2044 C ARG A 137 -14.343 -1.703 0.071 1.00 0.00 C ATOM 2045 O ARG A 137 -15.168 -1.988 0.941 1.00 0.00 O ATOM 2046 CB ARG A 137 -15.329 -2.087 -2.195 1.00 0.00 C ATOM 2047 CG ARG A 137 -15.139 -2.640 -3.598 1.00 0.00 C ATOM 2048 CD ARG A 137 -15.922 -3.928 -3.799 1.00 0.00 C ATOM 2049 NE ARG A 137 -15.127 -5.109 -3.471 1.00 0.00 N ATOM 2050 CZ ARG A 137 -15.610 -6.346 -3.483 1.00 0.00 C ATOM 2051 NH1 ARG A 137 -16.877 -6.564 -3.806 1.00 0.00 N ATOM 2052 NH2 ARG A 137 -14.824 -7.369 -3.173 1.00 0.00 N ATOM 0 H ARG A 137 -15.183 -4.394 -1.334 1.00 0.00 H new ATOM 0 HA ARG A 137 -13.265 -2.349 -1.659 1.00 0.00 H new ATOM 0 HB2 ARG A 137 -16.300 -2.406 -1.816 1.00 0.00 H new ATOM 0 HB3 ARG A 137 -15.348 -0.998 -2.242 1.00 0.00 H new ATOM 0 HG2 ARG A 137 -15.461 -1.899 -4.329 1.00 0.00 H new ATOM 0 HG3 ARG A 137 -14.080 -2.825 -3.777 1.00 0.00 H new ATOM 0 HD2 ARG A 137 -16.817 -3.909 -3.177 1.00 0.00 H new ATOM 0 HD3 ARG A 137 -16.255 -3.992 -4.835 1.00 0.00 H new ATOM 0 HE ARG A 137 -14.148 -4.976 -3.219 1.00 0.00 H new ATOM 0 HH11 ARG A 137 -17.484 -5.780 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 137 -17.245 -7.515 -3.814 1.00 0.00 H new ATOM 0 HH21 ARG A 137 -13.848 -7.206 -2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 137 -15.196 -8.319 -3.182 1.00 0.00 H new ATOM 2066 N LEU A 138 -13.498 -0.684 0.183 1.00 0.00 N ATOM 2067 CA LEU A 138 -13.490 0.178 1.359 1.00 0.00 C ATOM 2068 C LEU A 138 -14.226 1.485 1.082 1.00 0.00 C ATOM 2069 O LEU A 138 -14.408 1.873 -0.072 1.00 0.00 O ATOM 2070 CB LEU A 138 -12.052 0.472 1.792 1.00 0.00 C ATOM 2071 CG LEU A 138 -11.324 -0.662 2.515 1.00 0.00 C ATOM 2072 CD1 LEU A 138 -9.914 -0.235 2.893 1.00 0.00 C ATOM 2073 CD2 LEU A 138 -12.102 -1.093 3.750 1.00 0.00 C ATOM 0 H LEU A 138 -12.809 -0.435 -0.527 1.00 0.00 H new ATOM 0 HA LEU A 138 -14.006 -0.345 2.164 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -11.475 0.741 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -12.061 1.345 2.444 1.00 0.00 H new ATOM 0 HG LEU A 138 -11.255 -1.514 1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -9.411 -1.054 3.407 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -9.358 0.024 1.992 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -9.961 0.632 3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -11.569 -1.901 4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -12.203 -0.247 4.430 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -13.092 -1.440 3.454 1.00 0.00 H new ATOM 2085 N ARG A 139 -14.646 2.160 2.147 1.00 0.00 N ATOM 2086 CA ARG A 139 -15.361 3.423 2.018 1.00 0.00 C ATOM 2087 C ARG A 139 -14.534 4.576 2.579 1.00 0.00 C ATOM 2088 O ARG A 139 -14.429 5.637 1.961 1.00 0.00 O ATOM 2089 CB ARG A 139 -16.707 3.348 2.741 1.00 0.00 C ATOM 2090 CG ARG A 139 -17.709 2.424 2.069 1.00 0.00 C ATOM 2091 CD ARG A 139 -19.136 2.764 2.469 1.00 0.00 C ATOM 2092 NE ARG A 139 -20.012 1.596 2.419 1.00 0.00 N ATOM 2093 CZ ARG A 139 -21.337 1.673 2.372 1.00 0.00 C ATOM 2094 NH1 ARG A 139 -21.936 2.856 2.368 1.00 0.00 N ATOM 2095 NH2 ARG A 139 -22.066 0.565 2.329 1.00 0.00 N ATOM 0 H ARG A 139 -14.503 1.853 3.109 1.00 0.00 H new ATOM 0 HA ARG A 139 -15.535 3.606 0.958 1.00 0.00 H new ATOM 0 HB2 ARG A 139 -16.542 3.009 3.764 1.00 0.00 H new ATOM 0 HB3 ARG A 139 -17.133 4.349 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 139 -17.606 2.499 0.987 1.00 0.00 H new ATOM 0 HG3 ARG A 139 -17.491 1.391 2.339 1.00 0.00 H new ATOM 0 HD2 ARG A 139 -19.141 3.178 3.477 1.00 0.00 H new ATOM 0 HD3 ARG A 139 -19.524 3.537 1.805 1.00 0.00 H new ATOM 0 HE ARG A 139 -19.583 0.671 2.420 1.00 0.00 H new ATOM 0 HH11 ARG A 139 -21.379 3.710 2.401 1.00 0.00 H new ATOM 0 HH12 ARG A 139 -22.954 2.912 2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 139 -21.609 -0.347 2.332 1.00 0.00 H new ATOM 0 HH22 ARG A 139 -23.084 0.625 2.293 1.00 0.00 H new ATOM 2109 N HIS A 140 -13.949 4.362 3.753 1.00 0.00 N ATOM 2110 CA HIS A 140 -13.131 5.383 4.397 1.00 0.00 C ATOM 2111 C HIS A 140 -11.649 5.033 4.301 1.00 0.00 C ATOM 2112 O HIS A 140 -11.287 3.878 4.076 1.00 0.00 O ATOM 2113 CB HIS A 140 -13.535 5.540 5.863 1.00 0.00 C ATOM 2114 CG HIS A 140 -14.882 6.167 6.050 1.00 0.00 C ATOM 2115 ND1 HIS A 140 -15.072 7.530 6.138 1.00 0.00 N ATOM 2116 CD2 HIS A 140 -16.110 5.610 6.162 1.00 0.00 C ATOM 2117 CE1 HIS A 140 -16.359 7.784 6.299 1.00 0.00 C ATOM 2118 NE2 HIS A 140 -17.011 6.635 6.316 1.00 0.00 N ATOM 0 H HIS A 140 -14.026 3.491 4.278 1.00 0.00 H new ATOM 0 HA HIS A 140 -13.298 6.327 3.878 1.00 0.00 H new ATOM 0 HB2 HIS A 140 -13.531 4.560 6.339 1.00 0.00 H new ATOM 0 HB3 HIS A 140 -12.787 6.146 6.374 1.00 0.00 H new ATOM 0 HD2 HIS A 140 -16.339 4.555 6.135 1.00 0.00 H new ATOM 0 HE1 HIS A 140 -16.802 8.764 6.400 1.00 0.00 H new ATOM 0 HE2 HIS A 140 -18.019 6.527 6.426 1.00 0.00 H new ATOM 2127 N PHE A 141 -10.796 6.038 4.470 1.00 0.00 N ATOM 2128 CA PHE A 141 -9.354 5.837 4.400 1.00 0.00 C ATOM 2129 C PHE A 141 -8.753 5.717 5.798 1.00 0.00 C ATOM 2130 O PHE A 141 -8.757 6.662 6.586 1.00 0.00 O ATOM 2131 CB PHE A 141 -8.692 6.992 3.646 1.00 0.00 C ATOM 2132 CG PHE A 141 -7.436 6.595 2.924 1.00 0.00 C ATOM 2133 CD1 PHE A 141 -7.476 5.669 1.895 1.00 0.00 C ATOM 2134 CD2 PHE A 141 -6.215 7.149 3.275 1.00 0.00 C ATOM 2135 CE1 PHE A 141 -6.321 5.302 1.230 1.00 0.00 C ATOM 2136 CE2 PHE A 141 -5.057 6.786 2.614 1.00 0.00 C ATOM 2137 CZ PHE A 141 -5.111 5.862 1.589 1.00 0.00 C ATOM 0 H PHE A 141 -11.079 7.000 4.656 1.00 0.00 H new ATOM 0 HA PHE A 141 -9.168 4.907 3.862 1.00 0.00 H new ATOM 0 HB2 PHE A 141 -9.402 7.400 2.926 1.00 0.00 H new ATOM 0 HB3 PHE A 141 -8.459 7.790 4.351 1.00 0.00 H new ATOM 0 HD1 PHE A 141 -8.420 5.229 1.609 1.00 0.00 H new ATOM 0 HD2 PHE A 141 -6.168 7.873 4.075 1.00 0.00 H new ATOM 0 HE1 PHE A 141 -6.365 4.578 0.430 1.00 0.00 H new ATOM 0 HE2 PHE A 141 -4.112 7.224 2.898 1.00 0.00 H new ATOM 0 HZ PHE A 141 -4.208 5.578 1.069 1.00 0.00 H new ATOM 2147 N PRO A 142 -8.223 4.525 6.113 1.00 0.00 N ATOM 2148 CA PRO A 142 -7.609 4.252 7.416 1.00 0.00 C ATOM 2149 C PRO A 142 -6.291 4.997 7.603 1.00 0.00 C ATOM 2150 O PRO A 142 -6.050 5.597 8.651 1.00 0.00 O ATOM 2151 CB PRO A 142 -7.368 2.741 7.385 1.00 0.00 C ATOM 2152 CG PRO A 142 -7.262 2.404 5.937 1.00 0.00 C ATOM 2153 CD PRO A 142 -8.183 3.353 5.222 1.00 0.00 C ATOM 0 HA PRO A 142 -8.241 4.580 8.241 1.00 0.00 H new ATOM 0 HB2 PRO A 142 -6.457 2.474 7.921 1.00 0.00 H new ATOM 0 HB3 PRO A 142 -8.187 2.200 7.859 1.00 0.00 H new ATOM 0 HG2 PRO A 142 -6.237 2.516 5.585 1.00 0.00 H new ATOM 0 HG3 PRO A 142 -7.551 1.369 5.755 1.00 0.00 H new ATOM 0 HD2 PRO A 142 -7.804 3.612 4.233 1.00 0.00 H new ATOM 0 HD3 PRO A 142 -9.174 2.922 5.081 1.00 0.00 H new ATOM 2161 N CYS A 143 -5.443 4.955 6.581 1.00 0.00 N ATOM 2162 CA CYS A 143 -4.150 5.627 6.634 1.00 0.00 C ATOM 2163 C CYS A 143 -4.322 7.120 6.894 1.00 0.00 C ATOM 2164 O CYS A 143 -5.413 7.666 6.735 1.00 0.00 O ATOM 2165 CB CYS A 143 -3.385 5.409 5.328 1.00 0.00 C ATOM 2166 SG CYS A 143 -2.903 3.691 5.032 1.00 0.00 S ATOM 0 H CYS A 143 -5.628 4.463 5.707 1.00 0.00 H new ATOM 0 HA CYS A 143 -3.579 5.198 7.457 1.00 0.00 H new ATOM 0 HB2 CYS A 143 -4.002 5.750 4.497 1.00 0.00 H new ATOM 0 HB3 CYS A 143 -2.489 6.030 5.336 1.00 0.00 H new ATOM 0 HG CYS A 143 -1.972 3.351 5.873 1.00 0.00 H new ATOM 2172 N GLY A 144 -3.237 7.775 7.295 1.00 0.00 N ATOM 2173 CA GLY A 144 -3.289 9.199 7.572 1.00 0.00 C ATOM 2174 C GLY A 144 -2.542 10.018 6.539 1.00 0.00 C ATOM 2175 O GLY A 144 -3.117 10.898 5.900 1.00 0.00 O ATOM 0 H GLY A 144 -2.322 7.345 7.433 1.00 0.00 H new ATOM 0 HA2 GLY A 144 -4.330 9.522 7.604 1.00 0.00 H new ATOM 0 HA3 GLY A 144 -2.865 9.390 8.558 1.00 0.00 H new ATOM 2179 N ASN A 145 -1.254 9.731 6.377 1.00 0.00 N ATOM 2180 CA ASN A 145 -0.426 10.450 5.416 1.00 0.00 C ATOM 2181 C ASN A 145 -0.766 10.036 3.987 1.00 0.00 C ATOM 2182 O ASN A 145 -0.397 8.950 3.540 1.00 0.00 O ATOM 2183 CB ASN A 145 1.056 10.191 5.695 1.00 0.00 C ATOM 2184 CG ASN A 145 1.368 10.154 7.179 1.00 0.00 C ATOM 2185 OD1 ASN A 145 1.659 11.183 7.789 1.00 0.00 O ATOM 2186 ND2 ASN A 145 1.307 8.965 7.766 1.00 0.00 N ATOM 0 H ASN A 145 -0.762 9.006 6.899 1.00 0.00 H new ATOM 0 HA ASN A 145 -0.629 11.515 5.524 1.00 0.00 H new ATOM 0 HB2 ASN A 145 1.348 9.244 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 145 1.654 10.969 5.220 1.00 0.00 H new ATOM 0 HD21 ASN A 145 1.506 8.877 8.763 1.00 0.00 H new ATOM 0 HD22 ASN A 145 1.061 8.139 7.220 1.00 0.00 H new ATOM 2193 N VAL A 146 -1.470 10.910 3.276 1.00 0.00 N ATOM 2194 CA VAL A 146 -1.859 10.636 1.897 1.00 0.00 C ATOM 2195 C VAL A 146 -0.985 11.409 0.916 1.00 0.00 C ATOM 2196 O VAL A 146 -0.742 12.602 1.093 1.00 0.00 O ATOM 2197 CB VAL A 146 -3.335 10.999 1.648 1.00 0.00 C ATOM 2198 CG1 VAL A 146 -3.641 10.996 0.158 1.00 0.00 C ATOM 2199 CG2 VAL A 146 -4.252 10.038 2.390 1.00 0.00 C ATOM 0 H VAL A 146 -1.783 11.814 3.631 1.00 0.00 H new ATOM 0 HA VAL A 146 -1.723 9.567 1.736 1.00 0.00 H new ATOM 0 HB VAL A 146 -3.514 12.004 2.030 1.00 0.00 H new ATOM 0 HG11 VAL A 146 -4.688 11.255 0.001 1.00 0.00 H new ATOM 0 HG12 VAL A 146 -3.008 11.727 -0.345 1.00 0.00 H new ATOM 0 HG13 VAL A 146 -3.447 10.005 -0.251 1.00 0.00 H new ATOM 0 HG21 VAL A 146 -5.291 10.309 2.203 1.00 0.00 H new ATOM 0 HG22 VAL A 146 -4.074 9.021 2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 146 -4.049 10.094 3.459 1.00 0.00 H new ATOM 2209 N ASN A 147 -0.514 10.720 -0.118 1.00 0.00 N ATOM 2210 CA ASN A 147 0.334 11.343 -1.128 1.00 0.00 C ATOM 2211 C ASN A 147 -0.439 11.569 -2.424 1.00 0.00 C ATOM 2212 O ASN A 147 -1.522 11.015 -2.618 1.00 0.00 O ATOM 2213 CB ASN A 147 1.562 10.471 -1.401 1.00 0.00 C ATOM 2214 CG ASN A 147 2.727 10.813 -0.491 1.00 0.00 C ATOM 2215 OD1 ASN A 147 2.599 11.633 0.418 1.00 0.00 O ATOM 2216 ND2 ASN A 147 3.871 10.183 -0.734 1.00 0.00 N ATOM 0 H ASN A 147 -0.705 9.731 -0.279 1.00 0.00 H new ATOM 0 HA ASN A 147 0.660 12.310 -0.746 1.00 0.00 H new ATOM 0 HB2 ASN A 147 1.296 9.422 -1.268 1.00 0.00 H new ATOM 0 HB3 ASN A 147 1.868 10.594 -2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 147 4.690 10.371 -0.156 1.00 0.00 H new ATOM 0 HD22 ASN A 147 3.931 9.511 -1.499 1.00 0.00 H new ATOM 2223 N TYR A 148 0.123 12.387 -3.307 1.00 0.00 N ATOM 2224 CA TYR A 148 -0.514 12.689 -4.583 1.00 0.00 C ATOM 2225 C TYR A 148 0.374 12.266 -5.749 1.00 0.00 C ATOM 2226 O TYR A 148 1.374 12.916 -6.051 1.00 0.00 O ATOM 2227 CB TYR A 148 -0.825 14.183 -4.681 1.00 0.00 C ATOM 2228 CG TYR A 148 -1.634 14.711 -3.517 1.00 0.00 C ATOM 2229 CD1 TYR A 148 -2.804 14.079 -3.115 1.00 0.00 C ATOM 2230 CD2 TYR A 148 -1.227 15.841 -2.819 1.00 0.00 C ATOM 2231 CE1 TYR A 148 -3.546 14.558 -2.053 1.00 0.00 C ATOM 2232 CE2 TYR A 148 -1.962 16.327 -1.755 1.00 0.00 C ATOM 2233 CZ TYR A 148 -3.121 15.682 -1.376 1.00 0.00 C ATOM 2234 OH TYR A 148 -3.856 16.161 -0.316 1.00 0.00 O ATOM 0 H TYR A 148 1.019 12.853 -3.162 1.00 0.00 H new ATOM 0 HA TYR A 148 -1.446 12.126 -4.637 1.00 0.00 H new ATOM 0 HB2 TYR A 148 0.112 14.737 -4.743 1.00 0.00 H new ATOM 0 HB3 TYR A 148 -1.369 14.372 -5.606 1.00 0.00 H new ATOM 0 HD1 TYR A 148 -3.139 13.198 -3.642 1.00 0.00 H new ATOM 0 HD2 TYR A 148 -0.320 16.348 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 148 -4.454 14.055 -1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 148 -1.631 17.207 -1.223 1.00 0.00 H new ATOM 0 HH TYR A 148 -3.419 16.958 0.052 1.00 0.00 H new ATOM 2244 N GLY A 149 0.000 11.169 -6.402 1.00 0.00 N ATOM 2245 CA GLY A 149 0.772 10.677 -7.528 1.00 0.00 C ATOM 2246 C GLY A 149 0.470 11.426 -8.810 1.00 0.00 C ATOM 2247 O GLY A 149 0.779 12.612 -8.932 1.00 0.00 O ATOM 0 H GLY A 149 -0.823 10.613 -6.171 1.00 0.00 H new ATOM 0 HA2 GLY A 149 1.835 10.764 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 149 0.563 9.617 -7.672 1.00 0.00 H new