USER MOD reduce.3.24.130724 H: found=0, std=0, add=624, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 625 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 61 SER OG : rot -79:sc= 0.476 USER MOD Set 1.2: A 92 SER OG : rot -111:sc= 0.91 USER MOD Set 2.1: A 24 CYS SG : rot 115:sc= -2.06! USER MOD Set 2.2: A 91 TYR OH : rot 180:sc= -1.44 USER MOD Set 3.1: A 79 LYS NZ :NH3+ -153:sc= 1.24 (180deg=0.746) USER MOD Set 3.2: A 80 TYR OH : rot -150:sc= -1.34 USER MOD Set 4.1: A 45 ASN : amide:sc= 0.0187 X(o=0.62,f=0.53) USER MOD Set 4.2: A 76 LYS NZ :NH3+ -147:sc= 0.597 (180deg=-0.000735) USER MOD Set 5.1: A 29 THR OG1 : rot 67:sc= 1.18 USER MOD Set 5.2: A 43 TYR OH : rot 180:sc= -1.27! USER MOD Single : A 20 MET CE :methyl -146:sc= -0.646 (180deg=-3.5!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 84:sc= 0.0329 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 THR OG1 : rot -32:sc= 0.117 USER MOD Single : A 51 THR OG1 : rot -56:sc= 1.17 USER MOD Single : A 53 LYS NZ :NH3+ 151:sc=-0.00147 (180deg=-0.0394) USER MOD Single : A 54 LYS NZ :NH3+ -135:sc= -0.0502 (180deg=-2.34!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 68 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 THR OG1 : rot 150:sc= -0.167 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= -0.174 X(o=-0.17,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 260 N ARG A 17 -13.476 -1.821 -0.032 1.00 0.00 N ATOM 261 CA ARG A 17 -12.302 -0.970 0.126 1.00 0.00 C ATOM 262 C ARG A 17 -11.945 -0.802 1.601 1.00 0.00 C ATOM 263 O ARG A 17 -10.779 -0.607 1.948 1.00 0.00 O ATOM 264 CB ARG A 17 -12.550 0.399 -0.509 1.00 0.00 C ATOM 265 CG ARG A 17 -11.307 1.274 -0.575 1.00 0.00 C ATOM 266 CD ARG A 17 -11.206 2.009 -1.904 1.00 0.00 C ATOM 267 NE ARG A 17 -11.167 3.458 -1.725 1.00 0.00 N ATOM 268 CZ ARG A 17 -10.734 4.308 -2.653 1.00 0.00 C ATOM 269 NH1 ARG A 17 -10.303 3.859 -3.826 1.00 0.00 N ATOM 270 NH2 ARG A 17 -10.734 5.611 -2.410 1.00 0.00 N ATOM 0 HA ARG A 17 -11.465 -1.452 -0.379 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -12.938 0.257 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -13.321 0.920 0.059 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.327 1.997 0.240 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -10.420 0.657 -0.432 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.309 1.684 -2.431 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -12.057 1.744 -2.531 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.491 3.841 -0.837 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.303 2.858 -4.020 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.972 4.516 -4.533 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.066 5.962 -1.512 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -10.402 6.262 -3.121 1.00 0.00 H new ATOM 284 N GLU A 18 -12.952 -0.877 2.464 1.00 0.00 N ATOM 285 CA GLU A 18 -12.741 -0.733 3.899 1.00 0.00 C ATOM 286 C GLU A 18 -11.876 -1.867 4.441 1.00 0.00 C ATOM 287 O GLU A 18 -10.954 -1.638 5.223 1.00 0.00 O ATOM 288 CB GLU A 18 -14.083 -0.703 4.634 1.00 0.00 C ATOM 289 CG GLU A 18 -14.005 -0.085 6.021 1.00 0.00 C ATOM 290 CD GLU A 18 -14.313 -1.081 7.122 1.00 0.00 C ATOM 291 OE1 GLU A 18 -14.081 -2.289 6.913 1.00 0.00 O ATOM 292 OE2 GLU A 18 -14.789 -0.652 8.195 1.00 0.00 O ATOM 0 H GLU A 18 -13.923 -1.037 2.194 1.00 0.00 H new ATOM 0 HA GLU A 18 -12.220 0.209 4.070 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -14.802 -0.143 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -14.463 -1.721 4.720 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -13.007 0.325 6.176 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -14.705 0.748 6.083 1.00 0.00 H new ATOM 299 N GLU A 19 -12.181 -3.090 4.021 1.00 0.00 N ATOM 300 CA GLU A 19 -11.430 -4.258 4.466 1.00 0.00 C ATOM 301 C GLU A 19 -10.087 -4.352 3.747 1.00 0.00 C ATOM 302 O GLU A 19 -9.139 -4.949 4.256 1.00 0.00 O ATOM 303 CB GLU A 19 -12.240 -5.533 4.223 1.00 0.00 C ATOM 304 CG GLU A 19 -13.252 -5.829 5.318 1.00 0.00 C ATOM 305 CD GLU A 19 -13.849 -7.217 5.200 1.00 0.00 C ATOM 306 OE1 GLU A 19 -14.770 -7.400 4.376 1.00 0.00 O ATOM 307 OE2 GLU A 19 -13.396 -8.122 5.933 1.00 0.00 O ATOM 0 H GLU A 19 -12.942 -3.298 3.374 1.00 0.00 H new ATOM 0 HA GLU A 19 -11.242 -4.151 5.534 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -12.763 -5.445 3.271 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.556 -6.377 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -12.770 -5.726 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -14.051 -5.089 5.279 1.00 0.00 H new ATOM 314 N MET A 20 -10.014 -3.759 2.559 1.00 0.00 N ATOM 315 CA MET A 20 -8.790 -3.777 1.768 1.00 0.00 C ATOM 316 C MET A 20 -7.713 -2.897 2.398 1.00 0.00 C ATOM 317 O MET A 20 -6.551 -3.291 2.489 1.00 0.00 O ATOM 318 CB MET A 20 -9.079 -3.309 0.340 1.00 0.00 C ATOM 319 CG MET A 20 -9.833 -4.331 -0.495 1.00 0.00 C ATOM 320 SD MET A 20 -8.900 -5.856 -0.732 1.00 0.00 S ATOM 321 CE MET A 20 -7.372 -5.215 -1.414 1.00 0.00 C ATOM 0 H MET A 20 -10.790 -3.260 2.123 1.00 0.00 H new ATOM 0 HA MET A 20 -8.420 -4.802 1.743 1.00 0.00 H new ATOM 0 HB2 MET A 20 -9.658 -2.386 0.379 1.00 0.00 H new ATOM 0 HB3 MET A 20 -8.136 -3.073 -0.154 1.00 0.00 H new ATOM 0 HG2 MET A 20 -10.782 -4.561 -0.011 1.00 0.00 H new ATOM 0 HG3 MET A 20 -10.068 -3.898 -1.467 1.00 0.00 H new ATOM 0 HE1 MET A 20 -6.968 -5.926 -2.134 1.00 0.00 H new ATOM 0 HE2 MET A 20 -7.566 -4.265 -1.912 1.00 0.00 H new ATOM 0 HE3 MET A 20 -6.651 -5.063 -0.611 1.00 0.00 H new ATOM 331 N VAL A 21 -8.106 -1.702 2.829 1.00 0.00 N ATOM 332 CA VAL A 21 -7.169 -0.769 3.445 1.00 0.00 C ATOM 333 C VAL A 21 -6.675 -1.285 4.793 1.00 0.00 C ATOM 334 O VAL A 21 -5.505 -1.121 5.140 1.00 0.00 O ATOM 335 CB VAL A 21 -7.793 0.629 3.628 1.00 0.00 C ATOM 336 CG1 VAL A 21 -8.399 1.114 2.322 1.00 0.00 C ATOM 337 CG2 VAL A 21 -8.839 0.625 4.735 1.00 0.00 C ATOM 0 H VAL A 21 -9.064 -1.358 2.763 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.321 -0.686 2.765 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.000 1.317 3.921 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -8.835 2.102 2.468 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.623 1.169 1.559 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -9.175 0.419 2.000 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -9.261 1.624 4.840 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.632 -0.079 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.373 0.327 5.674 1.00 0.00 H new ATOM 347 N LYS A 22 -7.573 -1.903 5.551 1.00 0.00 N ATOM 348 CA LYS A 22 -7.223 -2.435 6.860 1.00 0.00 C ATOM 349 C LYS A 22 -6.172 -3.535 6.740 1.00 0.00 C ATOM 350 O LYS A 22 -5.144 -3.505 7.418 1.00 0.00 O ATOM 351 CB LYS A 22 -8.468 -2.982 7.566 1.00 0.00 C ATOM 352 CG LYS A 22 -9.629 -2.000 7.606 1.00 0.00 C ATOM 353 CD LYS A 22 -9.909 -1.518 9.021 1.00 0.00 C ATOM 354 CE LYS A 22 -9.213 -0.197 9.310 1.00 0.00 C ATOM 355 NZ LYS A 22 -8.012 -0.377 10.171 1.00 0.00 N ATOM 0 H LYS A 22 -8.546 -2.047 5.282 1.00 0.00 H new ATOM 0 HA LYS A 22 -6.806 -1.620 7.452 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -8.791 -3.892 7.061 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -8.204 -3.260 8.586 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -9.405 -1.145 6.968 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -10.522 -2.475 7.200 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -10.984 -1.402 9.161 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -9.574 -2.270 9.735 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.919 0.271 8.371 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.912 0.482 9.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -7.567 0.547 10.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.295 -0.800 11.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -7.333 -1.004 9.694 1.00 0.00 H new ATOM 369 N LYS A 23 -6.439 -4.504 5.871 1.00 0.00 N ATOM 370 CA LYS A 23 -5.522 -5.620 5.655 1.00 0.00 C ATOM 371 C LYS A 23 -4.120 -5.123 5.310 1.00 0.00 C ATOM 372 O LYS A 23 -3.128 -5.802 5.578 1.00 0.00 O ATOM 373 CB LYS A 23 -6.044 -6.522 4.535 1.00 0.00 C ATOM 374 CG LYS A 23 -6.793 -7.745 5.039 1.00 0.00 C ATOM 375 CD LYS A 23 -6.541 -8.956 4.154 1.00 0.00 C ATOM 376 CE LYS A 23 -7.318 -8.866 2.850 1.00 0.00 C ATOM 377 NZ LYS A 23 -8.550 -9.702 2.880 1.00 0.00 N ATOM 0 H LYS A 23 -7.285 -4.540 5.303 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.464 -6.192 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.704 -5.942 3.890 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.204 -6.848 3.921 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.483 -7.968 6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.861 -7.532 5.070 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.475 -9.035 3.939 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.827 -9.863 4.687 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.588 -7.827 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.682 -9.186 2.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -9.052 -9.614 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.291 -10.697 3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.169 -9.380 3.651 1.00 0.00 H new ATOM 391 N CYS A 24 -4.044 -3.938 4.714 1.00 0.00 N ATOM 392 CA CYS A 24 -2.763 -3.359 4.332 1.00 0.00 C ATOM 393 C CYS A 24 -1.973 -2.916 5.559 1.00 0.00 C ATOM 394 O CYS A 24 -0.752 -3.064 5.607 1.00 0.00 O ATOM 395 CB CYS A 24 -2.977 -2.176 3.384 1.00 0.00 C ATOM 396 SG CYS A 24 -1.486 -1.206 3.044 1.00 0.00 S ATOM 0 H CYS A 24 -4.854 -3.361 4.486 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.185 -4.126 3.816 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -3.375 -2.550 2.441 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.734 -1.518 3.810 1.00 0.00 H new ATOM 0 HG CYS A 24 -1.174 -1.316 1.787 1.00 0.00 H new ATOM 402 N LEU A 25 -2.668 -2.371 6.549 1.00 0.00 N ATOM 403 CA LEU A 25 -2.017 -1.912 7.768 1.00 0.00 C ATOM 404 C LEU A 25 -1.332 -3.072 8.484 1.00 0.00 C ATOM 405 O LEU A 25 -0.254 -2.913 9.055 1.00 0.00 O ATOM 406 CB LEU A 25 -3.031 -1.245 8.698 1.00 0.00 C ATOM 407 CG LEU A 25 -2.433 -0.222 9.666 1.00 0.00 C ATOM 408 CD1 LEU A 25 -3.267 1.049 9.686 1.00 0.00 C ATOM 409 CD2 LEU A 25 -2.321 -0.813 11.063 1.00 0.00 C ATOM 0 H LEU A 25 -3.679 -2.236 6.532 1.00 0.00 H new ATOM 0 HA LEU A 25 -1.259 -1.179 7.492 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.790 -0.751 8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -3.538 -2.018 9.275 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.431 0.034 9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.825 1.763 10.380 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -3.293 1.483 8.686 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.282 0.813 10.006 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.894 -0.072 11.738 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.311 -1.099 11.418 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.678 -1.692 11.036 1.00 0.00 H new ATOM 421 N GLY A 26 -1.965 -4.240 8.446 1.00 0.00 N ATOM 422 CA GLY A 26 -1.400 -5.410 9.091 1.00 0.00 C ATOM 423 C GLY A 26 -0.281 -6.041 8.284 1.00 0.00 C ATOM 424 O GLY A 26 0.794 -6.321 8.815 1.00 0.00 O ATOM 0 H GLY A 26 -2.859 -4.397 7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -1.020 -5.130 10.074 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -2.187 -6.147 9.251 1.00 0.00 H new ATOM 428 N GLU A 27 -0.533 -6.267 6.999 1.00 0.00 N ATOM 429 CA GLU A 27 0.461 -6.871 6.118 1.00 0.00 C ATOM 430 C GLU A 27 1.738 -6.037 6.082 1.00 0.00 C ATOM 431 O GLU A 27 2.842 -6.568 6.209 1.00 0.00 O ATOM 432 CB GLU A 27 -0.105 -7.021 4.705 1.00 0.00 C ATOM 433 CG GLU A 27 -0.740 -8.377 4.445 1.00 0.00 C ATOM 434 CD GLU A 27 0.278 -9.501 4.418 1.00 0.00 C ATOM 435 OE1 GLU A 27 1.458 -9.227 4.114 1.00 0.00 O ATOM 436 OE2 GLU A 27 -0.106 -10.656 4.700 1.00 0.00 O ATOM 0 H GLU A 27 -1.417 -6.041 6.544 1.00 0.00 H new ATOM 0 HA GLU A 27 0.706 -7.858 6.511 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -0.849 -6.242 4.536 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.695 -6.859 3.983 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -1.481 -8.581 5.218 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.271 -8.349 3.493 1.00 0.00 H new ATOM 443 N LEU A 28 1.581 -4.729 5.908 1.00 0.00 N ATOM 444 CA LEU A 28 2.722 -3.824 5.855 1.00 0.00 C ATOM 445 C LEU A 28 3.522 -3.874 7.152 1.00 0.00 C ATOM 446 O LEU A 28 4.738 -3.683 7.147 1.00 0.00 O ATOM 447 CB LEU A 28 2.260 -2.394 5.578 1.00 0.00 C ATOM 448 CG LEU A 28 2.083 -2.048 4.099 1.00 0.00 C ATOM 449 CD1 LEU A 28 1.649 -0.600 3.938 1.00 0.00 C ATOM 450 CD2 LEU A 28 3.370 -2.310 3.330 1.00 0.00 C ATOM 0 H LEU A 28 0.675 -4.273 5.801 1.00 0.00 H new ATOM 0 HA LEU A 28 3.369 -4.149 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.312 -2.228 6.090 1.00 0.00 H new ATOM 0 HB3 LEU A 28 2.983 -1.704 6.013 1.00 0.00 H new ATOM 0 HG LEU A 28 1.302 -2.688 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.528 -0.372 2.879 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.701 -0.445 4.453 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.406 0.057 4.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.224 -2.058 2.280 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.171 -1.697 3.742 1.00 0.00 H new ATOM 0 HD23 LEU A 28 3.638 -3.363 3.416 1.00 0.00 H new ATOM 462 N THR A 29 2.837 -4.137 8.261 1.00 0.00 N ATOM 463 CA THR A 29 3.498 -4.215 9.558 1.00 0.00 C ATOM 464 C THR A 29 4.558 -5.312 9.551 1.00 0.00 C ATOM 465 O THR A 29 5.675 -5.113 10.030 1.00 0.00 O ATOM 466 CB THR A 29 2.477 -4.481 10.666 1.00 0.00 C ATOM 467 OG1 THR A 29 1.502 -3.454 10.706 1.00 0.00 O ATOM 468 CG2 THR A 29 3.098 -4.576 12.043 1.00 0.00 C ATOM 0 H THR A 29 1.830 -4.299 8.287 1.00 0.00 H new ATOM 0 HA THR A 29 3.983 -3.258 9.752 1.00 0.00 H new ATOM 0 HB THR A 29 2.029 -5.444 10.420 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.958 -3.488 9.892 1.00 0.00 H new ATOM 0 HG21 THR A 29 2.319 -4.766 12.781 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.821 -5.392 12.061 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.602 -3.639 12.280 1.00 0.00 H new ATOM 476 N GLU A 30 4.201 -6.467 8.998 1.00 0.00 N ATOM 477 CA GLU A 30 5.121 -7.595 8.924 1.00 0.00 C ATOM 478 C GLU A 30 6.371 -7.224 8.132 1.00 0.00 C ATOM 479 O GLU A 30 7.486 -7.286 8.648 1.00 0.00 O ATOM 480 CB GLU A 30 4.434 -8.802 8.282 1.00 0.00 C ATOM 481 CG GLU A 30 3.529 -9.565 9.236 1.00 0.00 C ATOM 482 CD GLU A 30 2.100 -9.659 8.739 1.00 0.00 C ATOM 483 OE1 GLU A 30 1.300 -8.754 9.056 1.00 0.00 O ATOM 484 OE2 GLU A 30 1.780 -10.637 8.031 1.00 0.00 O ATOM 0 H GLU A 30 3.281 -6.646 8.595 1.00 0.00 H new ATOM 0 HA GLU A 30 5.419 -7.856 9.939 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.846 -8.464 7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.195 -9.480 7.896 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.926 -10.570 9.381 1.00 0.00 H new ATOM 0 HG3 GLU A 30 3.539 -9.075 10.210 1.00 0.00 H new ATOM 491 N VAL A 31 6.177 -6.839 6.872 1.00 0.00 N ATOM 492 CA VAL A 31 7.290 -6.454 6.009 1.00 0.00 C ATOM 493 C VAL A 31 8.156 -5.387 6.672 1.00 0.00 C ATOM 494 O VAL A 31 9.381 -5.406 6.553 1.00 0.00 O ATOM 495 CB VAL A 31 6.790 -5.933 4.648 1.00 0.00 C ATOM 496 CG1 VAL A 31 5.784 -4.816 4.849 1.00 0.00 C ATOM 497 CG2 VAL A 31 7.954 -5.464 3.783 1.00 0.00 C ATOM 0 H VAL A 31 5.261 -6.786 6.427 1.00 0.00 H new ATOM 0 HA VAL A 31 7.890 -7.349 5.845 1.00 0.00 H new ATOM 0 HB VAL A 31 6.296 -6.753 4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 31 5.439 -4.458 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 31 4.934 -5.190 5.420 1.00 0.00 H new ATOM 0 HG13 VAL A 31 6.254 -3.996 5.392 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.574 -5.101 2.828 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.484 -4.659 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.637 -6.296 3.610 1.00 0.00 H new ATOM 507 N CYS A 32 7.510 -4.460 7.372 1.00 0.00 N ATOM 508 CA CYS A 32 8.220 -3.388 8.057 1.00 0.00 C ATOM 509 C CYS A 32 9.227 -3.953 9.054 1.00 0.00 C ATOM 510 O CYS A 32 10.411 -3.622 9.014 1.00 0.00 O ATOM 511 CB CYS A 32 7.228 -2.474 8.778 1.00 0.00 C ATOM 512 SG CYS A 32 6.527 -1.177 7.733 1.00 0.00 S ATOM 0 H CYS A 32 6.496 -4.430 7.479 1.00 0.00 H new ATOM 0 HA CYS A 32 8.763 -2.808 7.310 1.00 0.00 H new ATOM 0 HB2 CYS A 32 6.416 -3.081 9.179 1.00 0.00 H new ATOM 0 HB3 CYS A 32 7.729 -2.010 9.628 1.00 0.00 H new ATOM 0 HG CYS A 32 5.519 -1.655 7.066 1.00 0.00 H new ATOM 518 N LYS A 33 8.746 -4.814 9.947 1.00 0.00 N ATOM 519 CA LYS A 33 9.604 -5.430 10.954 1.00 0.00 C ATOM 520 C LYS A 33 10.719 -6.238 10.299 1.00 0.00 C ATOM 521 O LYS A 33 11.885 -6.125 10.676 1.00 0.00 O ATOM 522 CB LYS A 33 8.782 -6.334 11.873 1.00 0.00 C ATOM 523 CG LYS A 33 7.555 -5.654 12.458 1.00 0.00 C ATOM 524 CD LYS A 33 7.264 -6.148 13.867 1.00 0.00 C ATOM 525 CE LYS A 33 6.033 -5.473 14.450 1.00 0.00 C ATOM 526 NZ LYS A 33 6.019 -5.534 15.937 1.00 0.00 N ATOM 0 H LYS A 33 7.768 -5.100 9.994 1.00 0.00 H new ATOM 0 HA LYS A 33 10.054 -4.633 11.545 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.467 -7.215 11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 33 9.417 -6.683 12.688 1.00 0.00 H new ATOM 0 HG2 LYS A 33 7.708 -4.575 12.474 1.00 0.00 H new ATOM 0 HG3 LYS A 33 6.693 -5.844 11.819 1.00 0.00 H new ATOM 0 HD2 LYS A 33 7.116 -7.228 13.852 1.00 0.00 H new ATOM 0 HD3 LYS A 33 8.125 -5.953 14.507 1.00 0.00 H new ATOM 0 HE2 LYS A 33 6.004 -4.432 14.129 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.136 -5.953 14.058 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 5.164 -5.063 16.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.021 -6.528 16.244 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 6.862 -5.054 16.312 1.00 0.00 H new ATOM 540 N SER A 34 10.352 -7.052 9.313 1.00 0.00 N ATOM 541 CA SER A 34 11.322 -7.881 8.601 1.00 0.00 C ATOM 542 C SER A 34 12.456 -7.031 8.038 1.00 0.00 C ATOM 543 O SER A 34 13.587 -7.498 7.901 1.00 0.00 O ATOM 544 CB SER A 34 10.635 -8.649 7.471 1.00 0.00 C ATOM 545 OG SER A 34 9.843 -9.707 7.981 1.00 0.00 O ATOM 0 H SER A 34 9.391 -7.156 8.988 1.00 0.00 H new ATOM 0 HA SER A 34 11.744 -8.593 9.311 1.00 0.00 H new ATOM 0 HB2 SER A 34 10.010 -7.969 6.893 1.00 0.00 H new ATOM 0 HB3 SER A 34 11.386 -9.049 6.790 1.00 0.00 H new ATOM 0 HG SER A 34 9.413 -10.181 7.239 1.00 0.00 H new ATOM 551 N LEU A 35 12.145 -5.781 7.714 1.00 0.00 N ATOM 552 CA LEU A 35 13.138 -4.864 7.167 1.00 0.00 C ATOM 553 C LEU A 35 13.994 -4.255 8.278 1.00 0.00 C ATOM 554 O LEU A 35 15.100 -3.777 8.027 1.00 0.00 O ATOM 555 CB LEU A 35 12.450 -3.751 6.371 1.00 0.00 C ATOM 556 CG LEU A 35 11.862 -4.185 5.026 1.00 0.00 C ATOM 557 CD1 LEU A 35 11.238 -2.997 4.306 1.00 0.00 C ATOM 558 CD2 LEU A 35 12.934 -4.838 4.162 1.00 0.00 C ATOM 0 H LEU A 35 11.213 -5.379 7.821 1.00 0.00 H new ATOM 0 HA LEU A 35 13.790 -5.431 6.502 1.00 0.00 H new ATOM 0 HB2 LEU A 35 11.651 -3.330 6.981 1.00 0.00 H new ATOM 0 HB3 LEU A 35 13.171 -2.953 6.195 1.00 0.00 H new ATOM 0 HG LEU A 35 11.078 -4.919 5.212 1.00 0.00 H new ATOM 0 HD11 LEU A 35 10.825 -3.325 3.352 1.00 0.00 H new ATOM 0 HD12 LEU A 35 10.442 -2.577 4.920 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.000 -2.237 4.130 1.00 0.00 H new ATOM 0 HD21 LEU A 35 12.499 -5.141 3.209 1.00 0.00 H new ATOM 0 HD22 LEU A 35 13.740 -4.127 3.983 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.330 -5.714 4.675 1.00 0.00 H new ATOM 570 N GLY A 36 13.476 -4.275 9.503 1.00 0.00 N ATOM 571 CA GLY A 36 14.208 -3.721 10.625 1.00 0.00 C ATOM 572 C GLY A 36 15.204 -4.699 11.216 1.00 0.00 C ATOM 573 O GLY A 36 16.301 -4.313 11.618 1.00 0.00 O ATOM 0 H GLY A 36 12.563 -4.665 9.737 1.00 0.00 H new ATOM 0 HA2 GLY A 36 14.735 -2.823 10.302 1.00 0.00 H new ATOM 0 HA3 GLY A 36 13.503 -3.416 11.398 1.00 0.00 H new ATOM 577 N LYS A 37 14.822 -5.971 11.273 1.00 0.00 N ATOM 578 CA LYS A 37 15.691 -7.005 11.823 1.00 0.00 C ATOM 579 C LYS A 37 16.845 -7.318 10.874 1.00 0.00 C ATOM 580 O LYS A 37 17.882 -7.834 11.293 1.00 0.00 O ATOM 581 CB LYS A 37 14.890 -8.277 12.108 1.00 0.00 C ATOM 582 CG LYS A 37 14.242 -8.881 10.872 1.00 0.00 C ATOM 583 CD LYS A 37 13.246 -9.973 11.240 1.00 0.00 C ATOM 584 CE LYS A 37 13.672 -11.326 10.695 1.00 0.00 C ATOM 585 NZ LYS A 37 13.494 -12.409 11.700 1.00 0.00 N ATOM 0 H LYS A 37 13.917 -6.310 10.945 1.00 0.00 H new ATOM 0 HA LYS A 37 16.109 -6.629 12.757 1.00 0.00 H new ATOM 0 HB2 LYS A 37 15.550 -9.018 12.560 1.00 0.00 H new ATOM 0 HB3 LYS A 37 14.115 -8.051 12.840 1.00 0.00 H new ATOM 0 HG2 LYS A 37 13.734 -8.099 10.308 1.00 0.00 H new ATOM 0 HG3 LYS A 37 15.013 -9.294 10.221 1.00 0.00 H new ATOM 0 HD2 LYS A 37 13.152 -10.030 12.324 1.00 0.00 H new ATOM 0 HD3 LYS A 37 12.262 -9.716 10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 37 13.089 -11.558 9.804 1.00 0.00 H new ATOM 0 HE3 LYS A 37 14.717 -11.282 10.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 13.796 -13.316 11.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 14.070 -12.200 12.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.492 -12.468 11.973 1.00 0.00 H new ATOM 599 N VAL A 38 16.662 -7.004 9.595 1.00 0.00 N ATOM 600 CA VAL A 38 17.692 -7.256 8.592 1.00 0.00 C ATOM 601 C VAL A 38 18.625 -6.059 8.438 1.00 0.00 C ATOM 602 O VAL A 38 19.812 -6.220 8.150 1.00 0.00 O ATOM 603 CB VAL A 38 17.072 -7.593 7.224 1.00 0.00 C ATOM 604 CG1 VAL A 38 16.255 -8.873 7.306 1.00 0.00 C ATOM 605 CG2 VAL A 38 16.221 -6.436 6.728 1.00 0.00 C ATOM 0 H VAL A 38 15.812 -6.575 9.229 1.00 0.00 H new ATOM 0 HA VAL A 38 18.268 -8.112 8.943 1.00 0.00 H new ATOM 0 HB VAL A 38 17.878 -7.754 6.509 1.00 0.00 H new ATOM 0 HG11 VAL A 38 15.825 -9.094 6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 38 16.899 -9.697 7.613 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.454 -8.747 8.035 1.00 0.00 H new ATOM 0 HG21 VAL A 38 15.790 -6.690 5.760 1.00 0.00 H new ATOM 0 HG22 VAL A 38 15.421 -6.241 7.442 1.00 0.00 H new ATOM 0 HG23 VAL A 38 16.841 -5.545 6.626 1.00 0.00 H new ATOM 615 N PHE A 39 18.085 -4.860 8.633 1.00 0.00 N ATOM 616 CA PHE A 39 18.874 -3.639 8.513 1.00 0.00 C ATOM 617 C PHE A 39 19.372 -3.168 9.877 1.00 0.00 C ATOM 618 O PHE A 39 20.355 -2.430 9.968 1.00 0.00 O ATOM 619 CB PHE A 39 18.050 -2.535 7.850 1.00 0.00 C ATOM 620 CG PHE A 39 18.084 -2.582 6.349 1.00 0.00 C ATOM 621 CD1 PHE A 39 19.274 -2.389 5.664 1.00 0.00 C ATOM 622 CD2 PHE A 39 16.929 -2.820 5.623 1.00 0.00 C ATOM 623 CE1 PHE A 39 19.309 -2.432 4.283 1.00 0.00 C ATOM 624 CE2 PHE A 39 16.957 -2.864 4.241 1.00 0.00 C ATOM 625 CZ PHE A 39 18.149 -2.670 3.570 1.00 0.00 C ATOM 0 H PHE A 39 17.106 -4.708 8.874 1.00 0.00 H new ATOM 0 HA PHE A 39 19.740 -3.862 7.890 1.00 0.00 H new ATOM 0 HB2 PHE A 39 17.016 -2.614 8.185 1.00 0.00 H new ATOM 0 HB3 PHE A 39 18.420 -1.566 8.184 1.00 0.00 H new ATOM 0 HD1 PHE A 39 20.184 -2.203 6.216 1.00 0.00 H new ATOM 0 HD2 PHE A 39 15.995 -2.973 6.143 1.00 0.00 H new ATOM 0 HE1 PHE A 39 20.242 -2.280 3.761 1.00 0.00 H new ATOM 0 HE2 PHE A 39 16.049 -3.050 3.687 1.00 0.00 H new ATOM 0 HZ PHE A 39 18.174 -2.704 2.491 1.00 0.00 H new ATOM 635 N GLY A 40 18.694 -3.599 10.937 1.00 0.00 N ATOM 636 CA GLY A 40 19.090 -3.210 12.277 1.00 0.00 C ATOM 637 C GLY A 40 18.337 -1.993 12.782 1.00 0.00 C ATOM 638 O GLY A 40 18.813 -1.288 13.671 1.00 0.00 O ATOM 0 H GLY A 40 17.879 -4.210 10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 40 18.921 -4.044 12.958 1.00 0.00 H new ATOM 0 HA3 GLY A 40 20.160 -3.001 12.289 1.00 0.00 H new ATOM 642 N VAL A 41 17.158 -1.748 12.219 1.00 0.00 N ATOM 643 CA VAL A 41 16.341 -0.610 12.625 1.00 0.00 C ATOM 644 C VAL A 41 15.037 -1.077 13.265 1.00 0.00 C ATOM 645 O VAL A 41 14.513 -2.138 12.924 1.00 0.00 O ATOM 646 CB VAL A 41 16.019 0.313 11.434 1.00 0.00 C ATOM 647 CG1 VAL A 41 17.294 0.919 10.868 1.00 0.00 C ATOM 648 CG2 VAL A 41 15.259 -0.447 10.357 1.00 0.00 C ATOM 0 H VAL A 41 16.748 -2.321 11.482 1.00 0.00 H new ATOM 0 HA VAL A 41 16.923 -0.047 13.355 1.00 0.00 H new ATOM 0 HB VAL A 41 15.384 1.124 11.790 1.00 0.00 H new ATOM 0 HG11 VAL A 41 17.047 1.568 10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 41 17.794 1.502 11.641 1.00 0.00 H new ATOM 0 HG13 VAL A 41 17.956 0.122 10.529 1.00 0.00 H new ATOM 0 HG21 VAL A 41 15.041 0.222 9.525 1.00 0.00 H new ATOM 0 HG22 VAL A 41 15.866 -1.281 10.003 1.00 0.00 H new ATOM 0 HG23 VAL A 41 14.325 -0.828 10.771 1.00 0.00 H new ATOM 658 N HIS A 42 14.522 -0.283 14.195 1.00 0.00 N ATOM 659 CA HIS A 42 13.281 -0.617 14.886 1.00 0.00 C ATOM 660 C HIS A 42 12.096 -0.609 13.926 1.00 0.00 C ATOM 661 O HIS A 42 12.166 -0.037 12.839 1.00 0.00 O ATOM 662 CB HIS A 42 13.035 0.363 16.035 1.00 0.00 C ATOM 663 CG HIS A 42 13.221 -0.246 17.389 1.00 0.00 C ATOM 664 ND1 HIS A 42 14.457 -0.593 17.895 1.00 0.00 N ATOM 665 CD2 HIS A 42 12.322 -0.571 18.348 1.00 0.00 C ATOM 666 CE1 HIS A 42 14.309 -1.106 19.103 1.00 0.00 C ATOM 667 NE2 HIS A 42 13.023 -1.103 19.401 1.00 0.00 N ATOM 0 H HIS A 42 14.944 0.598 14.489 1.00 0.00 H new ATOM 0 HA HIS A 42 13.381 -1.624 15.291 1.00 0.00 H new ATOM 0 HB2 HIS A 42 13.712 1.211 15.930 1.00 0.00 H new ATOM 0 HB3 HIS A 42 12.021 0.754 15.958 1.00 0.00 H new ATOM 0 HD2 HIS A 42 11.252 -0.436 18.294 1.00 0.00 H new ATOM 0 HE1 HIS A 42 15.104 -1.466 19.739 1.00 0.00 H new ATOM 0 HE2 HIS A 42 12.616 -1.441 20.273 1.00 0.00 H new ATOM 676 N TYR A 43 11.006 -1.249 14.341 1.00 0.00 N ATOM 677 CA TYR A 43 9.796 -1.319 13.527 1.00 0.00 C ATOM 678 C TYR A 43 9.304 0.081 13.164 1.00 0.00 C ATOM 679 O TYR A 43 9.093 0.391 11.992 1.00 0.00 O ATOM 680 CB TYR A 43 8.706 -2.088 14.283 1.00 0.00 C ATOM 681 CG TYR A 43 7.321 -1.956 13.685 1.00 0.00 C ATOM 682 CD1 TYR A 43 7.119 -2.075 12.315 1.00 0.00 C ATOM 683 CD2 TYR A 43 6.218 -1.714 14.492 1.00 0.00 C ATOM 684 CE1 TYR A 43 5.857 -1.954 11.768 1.00 0.00 C ATOM 685 CE2 TYR A 43 4.951 -1.592 13.951 1.00 0.00 C ATOM 686 CZ TYR A 43 4.777 -1.714 12.589 1.00 0.00 C ATOM 687 OH TYR A 43 3.518 -1.593 12.048 1.00 0.00 O ATOM 0 H TYR A 43 10.936 -1.728 15.239 1.00 0.00 H new ATOM 0 HA TYR A 43 10.028 -1.846 12.602 1.00 0.00 H new ATOM 0 HB2 TYR A 43 8.977 -3.143 14.313 1.00 0.00 H new ATOM 0 HB3 TYR A 43 8.679 -1.736 15.314 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.963 -2.265 11.668 1.00 0.00 H new ATOM 0 HD2 TYR A 43 6.351 -1.619 15.560 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.717 -2.047 10.701 1.00 0.00 H new ATOM 0 HE2 TYR A 43 4.103 -1.402 14.592 1.00 0.00 H new ATOM 0 HH TYR A 43 2.869 -1.426 12.763 1.00 0.00 H new ATOM 697 N PHE A 44 9.127 0.921 14.177 1.00 0.00 N ATOM 698 CA PHE A 44 8.662 2.288 13.965 1.00 0.00 C ATOM 699 C PHE A 44 9.625 3.060 13.066 1.00 0.00 C ATOM 700 O PHE A 44 9.231 4.005 12.385 1.00 0.00 O ATOM 701 CB PHE A 44 8.505 3.009 15.307 1.00 0.00 C ATOM 702 CG PHE A 44 7.077 3.140 15.753 1.00 0.00 C ATOM 703 CD1 PHE A 44 6.241 4.082 15.174 1.00 0.00 C ATOM 704 CD2 PHE A 44 6.571 2.321 16.748 1.00 0.00 C ATOM 705 CE1 PHE A 44 4.927 4.206 15.583 1.00 0.00 C ATOM 706 CE2 PHE A 44 5.257 2.440 17.161 1.00 0.00 C ATOM 707 CZ PHE A 44 4.433 3.384 16.577 1.00 0.00 C ATOM 0 H PHE A 44 9.298 0.680 15.153 1.00 0.00 H new ATOM 0 HA PHE A 44 7.692 2.243 13.469 1.00 0.00 H new ATOM 0 HB2 PHE A 44 9.067 2.469 16.069 1.00 0.00 H new ATOM 0 HB3 PHE A 44 8.946 4.003 15.230 1.00 0.00 H new ATOM 0 HD1 PHE A 44 6.621 4.726 14.395 1.00 0.00 H new ATOM 0 HD2 PHE A 44 7.210 1.581 17.207 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.286 4.945 15.126 1.00 0.00 H new ATOM 0 HE2 PHE A 44 4.875 1.796 17.939 1.00 0.00 H new ATOM 0 HZ PHE A 44 3.406 3.478 16.897 1.00 0.00 H new ATOM 717 N ASN A 45 10.892 2.651 13.071 1.00 0.00 N ATOM 718 CA ASN A 45 11.910 3.305 12.257 1.00 0.00 C ATOM 719 C ASN A 45 11.530 3.277 10.780 1.00 0.00 C ATOM 720 O ASN A 45 11.793 4.228 10.044 1.00 0.00 O ATOM 721 CB ASN A 45 13.267 2.629 12.461 1.00 0.00 C ATOM 722 CG ASN A 45 14.403 3.628 12.546 1.00 0.00 C ATOM 723 OD1 ASN A 45 15.196 3.606 13.487 1.00 0.00 O ATOM 724 ND2 ASN A 45 14.486 4.515 11.561 1.00 0.00 N ATOM 0 H ASN A 45 11.236 1.870 13.630 1.00 0.00 H new ATOM 0 HA ASN A 45 11.979 4.346 12.574 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.240 2.035 13.374 1.00 0.00 H new ATOM 0 HB3 ASN A 45 13.454 1.940 11.638 1.00 0.00 H new ATOM 0 HD21 ASN A 45 15.229 5.214 11.565 1.00 0.00 H new ATOM 0 HD22 ASN A 45 13.807 4.497 10.800 1.00 0.00 H new ATOM 731 N ILE A 46 10.912 2.182 10.351 1.00 0.00 N ATOM 732 CA ILE A 46 10.497 2.035 8.960 1.00 0.00 C ATOM 733 C ILE A 46 9.405 3.038 8.605 1.00 0.00 C ATOM 734 O ILE A 46 9.623 3.952 7.810 1.00 0.00 O ATOM 735 CB ILE A 46 9.982 0.612 8.673 1.00 0.00 C ATOM 736 CG1 ILE A 46 10.987 -0.428 9.172 1.00 0.00 C ATOM 737 CG2 ILE A 46 9.718 0.433 7.186 1.00 0.00 C ATOM 738 CD1 ILE A 46 12.370 -0.265 8.580 1.00 0.00 C ATOM 0 H ILE A 46 10.687 1.384 10.945 1.00 0.00 H new ATOM 0 HA ILE A 46 11.377 2.225 8.346 1.00 0.00 H new ATOM 0 HB ILE A 46 9.043 0.467 9.207 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.056 -0.363 10.258 1.00 0.00 H new ATOM 0 HG13 ILE A 46 10.614 -1.424 8.935 1.00 0.00 H new ATOM 0 HG21 ILE A 46 9.355 -0.578 7.000 1.00 0.00 H new ATOM 0 HG22 ILE A 46 8.968 1.154 6.860 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.642 0.594 6.630 1.00 0.00 H new ATOM 0 HD11 ILE A 46 13.030 -1.036 8.978 1.00 0.00 H new ATOM 0 HD12 ILE A 46 12.315 -0.360 7.495 1.00 0.00 H new ATOM 0 HD13 ILE A 46 12.763 0.718 8.839 1.00 0.00 H new ATOM 750 N PHE A 47 8.231 2.862 9.203 1.00 0.00 N ATOM 751 CA PHE A 47 7.103 3.752 8.954 1.00 0.00 C ATOM 752 C PHE A 47 6.378 4.084 10.253 1.00 0.00 C ATOM 753 O PHE A 47 6.255 3.239 11.142 1.00 0.00 O ATOM 754 CB PHE A 47 6.125 3.112 7.964 1.00 0.00 C ATOM 755 CG PHE A 47 6.609 3.088 6.537 1.00 0.00 C ATOM 756 CD1 PHE A 47 7.513 4.033 6.069 1.00 0.00 C ATOM 757 CD2 PHE A 47 6.154 2.116 5.661 1.00 0.00 C ATOM 758 CE1 PHE A 47 7.951 4.004 4.758 1.00 0.00 C ATOM 759 CE2 PHE A 47 6.588 2.085 4.350 1.00 0.00 C ATOM 760 CZ PHE A 47 7.487 3.030 3.898 1.00 0.00 C ATOM 0 H PHE A 47 8.036 2.110 9.864 1.00 0.00 H new ATOM 0 HA PHE A 47 7.491 4.676 8.525 1.00 0.00 H new ATOM 0 HB2 PHE A 47 5.921 2.090 8.283 1.00 0.00 H new ATOM 0 HB3 PHE A 47 5.180 3.653 8.005 1.00 0.00 H new ATOM 0 HD1 PHE A 47 7.878 4.799 6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 47 5.451 1.373 6.008 1.00 0.00 H new ATOM 0 HE1 PHE A 47 8.656 4.743 4.407 1.00 0.00 H new ATOM 0 HE2 PHE A 47 6.224 1.321 3.679 1.00 0.00 H new ATOM 0 HZ PHE A 47 7.827 3.007 2.873 1.00 0.00 H new ATOM 770 N ASN A 48 5.896 5.318 10.359 1.00 0.00 N ATOM 771 CA ASN A 48 5.180 5.762 11.549 1.00 0.00 C ATOM 772 C ASN A 48 3.722 5.313 11.502 1.00 0.00 C ATOM 773 O ASN A 48 3.220 4.910 10.453 1.00 0.00 O ATOM 774 CB ASN A 48 5.258 7.284 11.679 1.00 0.00 C ATOM 775 CG ASN A 48 6.162 7.721 12.816 1.00 0.00 C ATOM 776 OD1 ASN A 48 7.322 8.073 12.602 1.00 0.00 O ATOM 777 ND2 ASN A 48 5.632 7.702 14.033 1.00 0.00 N ATOM 0 H ASN A 48 5.989 6.029 9.634 1.00 0.00 H new ATOM 0 HA ASN A 48 5.653 5.309 12.420 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.624 7.708 10.744 1.00 0.00 H new ATOM 0 HB3 ASN A 48 4.257 7.684 11.840 1.00 0.00 H new ATOM 0 HD21 ASN A 48 6.191 7.987 14.837 1.00 0.00 H new ATOM 0 HD22 ASN A 48 4.666 7.403 14.164 1.00 0.00 H new ATOM 784 N THR A 49 3.047 5.388 12.646 1.00 0.00 N ATOM 785 CA THR A 49 1.644 4.991 12.736 1.00 0.00 C ATOM 786 C THR A 49 0.811 5.671 11.653 1.00 0.00 C ATOM 787 O THR A 49 0.021 5.025 10.966 1.00 0.00 O ATOM 788 CB THR A 49 1.083 5.334 14.117 1.00 0.00 C ATOM 789 OG1 THR A 49 2.045 5.080 15.126 1.00 0.00 O ATOM 790 CG2 THR A 49 -0.166 4.555 14.466 1.00 0.00 C ATOM 0 H THR A 49 3.448 5.720 13.523 1.00 0.00 H new ATOM 0 HA THR A 49 1.589 3.913 12.585 1.00 0.00 H new ATOM 0 HB THR A 49 0.829 6.393 14.071 1.00 0.00 H new ATOM 0 HG1 THR A 49 2.604 4.320 14.861 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.511 4.846 15.458 1.00 0.00 H new ATOM 0 HG22 THR A 49 -0.944 4.768 13.734 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.057 3.488 14.458 1.00 0.00 H new ATOM 798 N VAL A 50 0.998 6.979 11.507 1.00 0.00 N ATOM 799 CA VAL A 50 0.266 7.747 10.506 1.00 0.00 C ATOM 800 C VAL A 50 0.738 7.409 9.094 1.00 0.00 C ATOM 801 O VAL A 50 0.016 7.625 8.120 1.00 0.00 O ATOM 802 CB VAL A 50 0.415 9.260 10.742 1.00 0.00 C ATOM 803 CG1 VAL A 50 1.872 9.671 10.637 1.00 0.00 C ATOM 804 CG2 VAL A 50 -0.443 10.045 9.760 1.00 0.00 C ATOM 0 H VAL A 50 1.649 7.528 12.068 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.785 7.474 10.605 1.00 0.00 H new ATOM 0 HB VAL A 50 0.067 9.489 11.749 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.960 10.744 10.806 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.456 9.136 11.386 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.248 9.428 9.643 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.323 11.113 9.944 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.132 9.815 8.741 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.490 9.770 9.891 1.00 0.00 H new ATOM 814 N THR A 51 1.954 6.879 8.988 1.00 0.00 N ATOM 815 CA THR A 51 2.519 6.515 7.694 1.00 0.00 C ATOM 816 C THR A 51 1.853 5.259 7.137 1.00 0.00 C ATOM 817 O THR A 51 1.405 5.240 5.991 1.00 0.00 O ATOM 818 CB THR A 51 4.027 6.291 7.820 1.00 0.00 C ATOM 819 OG1 THR A 51 4.646 7.393 8.459 1.00 0.00 O ATOM 820 CG2 THR A 51 4.714 6.087 6.488 1.00 0.00 C ATOM 0 H THR A 51 2.566 6.693 9.783 1.00 0.00 H new ATOM 0 HA THR A 51 2.334 7.337 7.003 1.00 0.00 H new ATOM 0 HB THR A 51 4.136 5.381 8.410 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.432 8.216 7.972 1.00 0.00 H new ATOM 0 HG21 THR A 51 5.781 5.934 6.649 1.00 0.00 H new ATOM 0 HG22 THR A 51 4.293 5.213 5.991 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.564 6.967 5.863 1.00 0.00 H new ATOM 828 N LEU A 52 1.795 4.212 7.953 1.00 0.00 N ATOM 829 CA LEU A 52 1.188 2.953 7.540 1.00 0.00 C ATOM 830 C LEU A 52 -0.273 3.152 7.148 1.00 0.00 C ATOM 831 O LEU A 52 -0.699 2.733 6.072 1.00 0.00 O ATOM 832 CB LEU A 52 1.290 1.919 8.662 1.00 0.00 C ATOM 833 CG LEU A 52 2.705 1.679 9.193 1.00 0.00 C ATOM 834 CD1 LEU A 52 2.655 1.106 10.601 1.00 0.00 C ATOM 835 CD2 LEU A 52 3.472 0.751 8.264 1.00 0.00 C ATOM 0 H LEU A 52 2.161 4.211 8.905 1.00 0.00 H new ATOM 0 HA LEU A 52 1.732 2.588 6.669 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.657 2.239 9.490 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.888 0.972 8.301 1.00 0.00 H new ATOM 0 HG LEU A 52 3.227 2.635 9.230 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.670 0.941 10.963 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.143 1.807 11.261 1.00 0.00 H new ATOM 0 HD13 LEU A 52 2.116 0.159 10.589 1.00 0.00 H new ATOM 0 HD21 LEU A 52 4.476 0.591 8.657 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.953 -0.205 8.195 1.00 0.00 H new ATOM 0 HD23 LEU A 52 3.537 1.201 7.273 1.00 0.00 H new ATOM 847 N LYS A 53 -1.037 3.797 8.024 1.00 0.00 N ATOM 848 CA LYS A 53 -2.449 4.052 7.762 1.00 0.00 C ATOM 849 C LYS A 53 -2.634 4.769 6.427 1.00 0.00 C ATOM 850 O LYS A 53 -3.668 4.633 5.776 1.00 0.00 O ATOM 851 CB LYS A 53 -3.063 4.880 8.892 1.00 0.00 C ATOM 852 CG LYS A 53 -2.491 6.283 9.000 1.00 0.00 C ATOM 853 CD LYS A 53 -3.178 7.080 10.098 1.00 0.00 C ATOM 854 CE LYS A 53 -2.887 6.498 11.472 1.00 0.00 C ATOM 855 NZ LYS A 53 -2.713 7.561 12.500 1.00 0.00 N ATOM 0 H LYS A 53 -0.703 4.152 8.920 1.00 0.00 H new ATOM 0 HA LYS A 53 -2.961 3.091 7.712 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -4.140 4.947 8.738 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.908 4.360 9.837 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -1.422 6.227 9.204 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -2.607 6.799 8.047 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.842 8.116 10.062 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -4.254 7.088 9.925 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -3.703 5.838 11.767 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -1.985 5.888 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -3.002 7.195 13.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.714 7.849 12.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -3.301 8.382 12.253 1.00 0.00 H new ATOM 869 N LYS A 54 -1.618 5.528 6.024 1.00 0.00 N ATOM 870 CA LYS A 54 -1.666 6.259 4.765 1.00 0.00 C ATOM 871 C LYS A 54 -1.679 5.292 3.584 1.00 0.00 C ATOM 872 O LYS A 54 -2.614 5.288 2.784 1.00 0.00 O ATOM 873 CB LYS A 54 -0.472 7.211 4.657 1.00 0.00 C ATOM 874 CG LYS A 54 -0.865 8.679 4.638 1.00 0.00 C ATOM 875 CD LYS A 54 -0.814 9.288 6.028 1.00 0.00 C ATOM 876 CE LYS A 54 -1.069 10.787 5.991 1.00 0.00 C ATOM 877 NZ LYS A 54 -1.904 11.237 7.138 1.00 0.00 N ATOM 0 H LYS A 54 -0.754 5.651 6.551 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.585 6.845 4.742 1.00 0.00 H new ATOM 0 HB2 LYS A 54 0.200 7.034 5.497 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.085 6.981 3.749 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.196 9.227 3.975 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.871 8.782 4.231 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -1.557 8.807 6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 54 0.161 9.095 6.475 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.117 11.318 6.005 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.565 11.048 5.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.641 11.887 6.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.351 10.412 7.587 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -1.305 11.727 7.833 1.00 0.00 H new ATOM 891 N LEU A 55 -0.642 4.464 3.488 1.00 0.00 N ATOM 892 CA LEU A 55 -0.546 3.484 2.412 1.00 0.00 C ATOM 893 C LEU A 55 -1.748 2.544 2.410 1.00 0.00 C ATOM 894 O LEU A 55 -2.066 1.933 1.391 1.00 0.00 O ATOM 895 CB LEU A 55 0.751 2.675 2.532 1.00 0.00 C ATOM 896 CG LEU A 55 1.965 3.293 1.831 1.00 0.00 C ATOM 897 CD1 LEU A 55 2.856 4.037 2.811 1.00 0.00 C ATOM 898 CD2 LEU A 55 2.763 2.221 1.106 1.00 0.00 C ATOM 0 H LEU A 55 0.141 4.453 4.141 1.00 0.00 H new ATOM 0 HA LEU A 55 -0.537 4.030 1.469 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.986 2.548 3.589 1.00 0.00 H new ATOM 0 HB3 LEU A 55 0.580 1.680 2.121 1.00 0.00 H new ATOM 0 HG LEU A 55 1.594 4.013 1.102 1.00 0.00 H new ATOM 0 HD11 LEU A 55 3.707 4.462 2.279 1.00 0.00 H new ATOM 0 HD12 LEU A 55 2.287 4.837 3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 55 3.214 3.346 3.574 1.00 0.00 H new ATOM 0 HD21 LEU A 55 3.622 2.677 0.614 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.109 1.477 1.824 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.131 1.739 0.360 1.00 0.00 H new ATOM 910 N ALA A 56 -2.417 2.436 3.554 1.00 0.00 N ATOM 911 CA ALA A 56 -3.584 1.572 3.673 1.00 0.00 C ATOM 912 C ALA A 56 -4.825 2.242 3.092 1.00 0.00 C ATOM 913 O ALA A 56 -5.544 1.648 2.291 1.00 0.00 O ATOM 914 CB ALA A 56 -3.814 1.196 5.130 1.00 0.00 C ATOM 0 H ALA A 56 -2.171 2.935 4.409 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.395 0.664 3.101 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.689 0.550 5.205 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.940 0.669 5.512 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -3.978 2.099 5.717 1.00 0.00 H new ATOM 920 N GLU A 57 -5.069 3.484 3.502 1.00 0.00 N ATOM 921 CA GLU A 57 -6.225 4.234 3.021 1.00 0.00 C ATOM 922 C GLU A 57 -6.237 4.308 1.496 1.00 0.00 C ATOM 923 O GLU A 57 -7.299 4.307 0.873 1.00 0.00 O ATOM 924 CB GLU A 57 -6.223 5.645 3.610 1.00 0.00 C ATOM 925 CG GLU A 57 -6.160 5.672 5.128 1.00 0.00 C ATOM 926 CD GLU A 57 -7.357 6.363 5.751 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.885 7.309 5.129 1.00 0.00 O ATOM 928 OE2 GLU A 57 -7.767 5.957 6.859 1.00 0.00 O ATOM 0 H GLU A 57 -4.483 3.991 4.165 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.124 3.710 3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.371 6.195 3.210 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.122 6.167 3.283 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.099 4.650 5.503 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -5.248 6.181 5.441 1.00 0.00 H new ATOM 935 N SER A 58 -5.051 4.370 0.902 1.00 0.00 N ATOM 936 CA SER A 58 -4.925 4.443 -0.550 1.00 0.00 C ATOM 937 C SER A 58 -4.999 3.052 -1.172 1.00 0.00 C ATOM 938 O SER A 58 -5.762 2.819 -2.108 1.00 0.00 O ATOM 939 CB SER A 58 -3.609 5.118 -0.935 1.00 0.00 C ATOM 940 OG SER A 58 -3.413 5.091 -2.339 1.00 0.00 O ATOM 0 H SER A 58 -4.162 4.371 1.403 1.00 0.00 H new ATOM 0 HA SER A 58 -5.755 5.037 -0.933 1.00 0.00 H new ATOM 0 HB2 SER A 58 -3.610 6.150 -0.585 1.00 0.00 H new ATOM 0 HB3 SER A 58 -2.779 4.614 -0.439 1.00 0.00 H new ATOM 0 HG SER A 58 -2.565 5.530 -2.559 1.00 0.00 H new ATOM 946 N LEU A 59 -4.199 2.132 -0.642 1.00 0.00 N ATOM 947 CA LEU A 59 -4.171 0.762 -1.141 1.00 0.00 C ATOM 948 C LEU A 59 -3.675 0.718 -2.585 1.00 0.00 C ATOM 949 O LEU A 59 -4.288 0.092 -3.449 1.00 0.00 O ATOM 950 CB LEU A 59 -5.568 0.127 -1.032 1.00 0.00 C ATOM 951 CG LEU A 59 -5.741 -0.962 0.043 1.00 0.00 C ATOM 952 CD1 LEU A 59 -5.856 -2.333 -0.598 1.00 0.00 C ATOM 953 CD2 LEU A 59 -4.597 -0.948 1.051 1.00 0.00 C ATOM 0 H LEU A 59 -3.561 2.311 0.134 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.476 0.188 -0.527 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -6.290 0.920 -0.835 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.824 -0.304 -2.000 1.00 0.00 H new ATOM 0 HG LEU A 59 -6.663 -0.743 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.978 -3.089 0.178 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.720 -2.353 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.953 -2.544 -1.171 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.756 -1.731 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -3.654 -1.125 0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.562 0.021 1.548 1.00 0.00 H new ATOM 965 N SER A 60 -2.555 1.389 -2.839 1.00 0.00 N ATOM 966 CA SER A 60 -1.968 1.426 -4.174 1.00 0.00 C ATOM 967 C SER A 60 -0.450 1.298 -4.100 1.00 0.00 C ATOM 968 O SER A 60 0.214 2.071 -3.409 1.00 0.00 O ATOM 969 CB SER A 60 -2.348 2.728 -4.883 1.00 0.00 C ATOM 970 OG SER A 60 -3.527 2.565 -5.653 1.00 0.00 O ATOM 0 H SER A 60 -2.035 1.915 -2.136 1.00 0.00 H new ATOM 0 HA SER A 60 -2.360 0.583 -4.743 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.498 3.517 -4.146 1.00 0.00 H new ATOM 0 HB3 SER A 60 -1.529 3.046 -5.529 1.00 0.00 H new ATOM 0 HG SER A 60 -3.749 3.411 -6.094 1.00 0.00 H new ATOM 976 N SER A 61 0.095 0.317 -4.811 1.00 0.00 N ATOM 977 CA SER A 61 1.535 0.091 -4.819 1.00 0.00 C ATOM 978 C SER A 61 2.240 1.070 -5.756 1.00 0.00 C ATOM 979 O SER A 61 2.511 0.751 -6.913 1.00 0.00 O ATOM 980 CB SER A 61 1.847 -1.349 -5.235 1.00 0.00 C ATOM 981 OG SER A 61 0.714 -1.970 -5.818 1.00 0.00 O ATOM 0 H SER A 61 -0.438 -0.333 -5.388 1.00 0.00 H new ATOM 0 HA SER A 61 1.906 0.257 -3.808 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.674 -1.354 -5.945 1.00 0.00 H new ATOM 0 HB3 SER A 61 2.171 -1.920 -4.365 1.00 0.00 H new ATOM 0 HG SER A 61 0.097 -2.254 -5.112 1.00 0.00 H new ATOM 987 N ASP A 62 2.537 2.257 -5.241 1.00 0.00 N ATOM 988 CA ASP A 62 3.216 3.285 -6.022 1.00 0.00 C ATOM 989 C ASP A 62 4.476 3.761 -5.303 1.00 0.00 C ATOM 990 O ASP A 62 4.585 3.634 -4.086 1.00 0.00 O ATOM 991 CB ASP A 62 2.277 4.467 -6.274 1.00 0.00 C ATOM 992 CG ASP A 62 2.153 4.802 -7.748 1.00 0.00 C ATOM 993 OD1 ASP A 62 1.569 3.988 -8.495 1.00 0.00 O ATOM 994 OD2 ASP A 62 2.640 5.877 -8.155 1.00 0.00 O ATOM 0 H ASP A 62 2.318 2.532 -4.284 1.00 0.00 H new ATOM 0 HA ASP A 62 3.505 2.853 -6.980 1.00 0.00 H new ATOM 0 HB2 ASP A 62 1.290 4.236 -5.872 1.00 0.00 H new ATOM 0 HB3 ASP A 62 2.644 5.341 -5.735 1.00 0.00 H new ATOM 999 N PRO A 63 5.452 4.308 -6.046 1.00 0.00 N ATOM 1000 CA PRO A 63 6.701 4.794 -5.473 1.00 0.00 C ATOM 1001 C PRO A 63 6.627 6.258 -5.036 1.00 0.00 C ATOM 1002 O PRO A 63 6.997 6.597 -3.912 1.00 0.00 O ATOM 1003 CB PRO A 63 7.681 4.624 -6.627 1.00 0.00 C ATOM 1004 CG PRO A 63 6.859 4.803 -7.866 1.00 0.00 C ATOM 1005 CD PRO A 63 5.423 4.486 -7.507 1.00 0.00 C ATOM 0 HA PRO A 63 6.976 4.257 -4.565 1.00 0.00 H new ATOM 0 HB2 PRO A 63 8.482 5.361 -6.576 1.00 0.00 H new ATOM 0 HB3 PRO A 63 8.151 3.641 -6.604 1.00 0.00 H new ATOM 0 HG2 PRO A 63 6.945 5.823 -8.239 1.00 0.00 H new ATOM 0 HG3 PRO A 63 7.211 4.143 -8.659 1.00 0.00 H new ATOM 0 HD2 PRO A 63 4.751 5.294 -7.797 1.00 0.00 H new ATOM 0 HD3 PRO A 63 5.075 3.585 -8.012 1.00 0.00 H new ATOM 1013 N GLU A 64 6.157 7.123 -5.931 1.00 0.00 N ATOM 1014 CA GLU A 64 6.046 8.548 -5.635 1.00 0.00 C ATOM 1015 C GLU A 64 4.903 8.827 -4.662 1.00 0.00 C ATOM 1016 O GLU A 64 5.027 9.667 -3.770 1.00 0.00 O ATOM 1017 CB GLU A 64 5.839 9.348 -6.923 1.00 0.00 C ATOM 1018 CG GLU A 64 4.719 8.814 -7.802 1.00 0.00 C ATOM 1019 CD GLU A 64 3.552 9.778 -7.913 1.00 0.00 C ATOM 1020 OE1 GLU A 64 3.037 10.209 -6.860 1.00 0.00 O ATOM 1021 OE2 GLU A 64 3.156 10.102 -9.051 1.00 0.00 O ATOM 0 H GLU A 64 5.847 6.862 -6.867 1.00 0.00 H new ATOM 0 HA GLU A 64 6.978 8.861 -5.165 1.00 0.00 H new ATOM 0 HB2 GLU A 64 5.623 10.385 -6.665 1.00 0.00 H new ATOM 0 HB3 GLU A 64 6.768 9.348 -7.493 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.111 8.608 -8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.365 7.866 -7.397 1.00 0.00 H new ATOM 1028 N VAL A 65 3.791 8.119 -4.840 1.00 0.00 N ATOM 1029 CA VAL A 65 2.628 8.295 -3.975 1.00 0.00 C ATOM 1030 C VAL A 65 3.009 8.155 -2.504 1.00 0.00 C ATOM 1031 O VAL A 65 2.338 8.696 -1.625 1.00 0.00 O ATOM 1032 CB VAL A 65 1.521 7.272 -4.304 1.00 0.00 C ATOM 1033 CG1 VAL A 65 0.290 7.518 -3.443 1.00 0.00 C ATOM 1034 CG2 VAL A 65 1.162 7.328 -5.781 1.00 0.00 C ATOM 0 H VAL A 65 3.671 7.420 -5.573 1.00 0.00 H new ATOM 0 HA VAL A 65 2.250 9.301 -4.157 1.00 0.00 H new ATOM 0 HB VAL A 65 1.900 6.274 -4.081 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -0.479 6.786 -3.690 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.557 7.422 -2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.091 8.522 -3.631 1.00 0.00 H new ATOM 0 HG21 VAL A 65 0.380 6.599 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 65 0.805 8.327 -6.031 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.044 7.098 -6.379 1.00 0.00 H new ATOM 1044 N LEU A 66 4.087 7.423 -2.245 1.00 0.00 N ATOM 1045 CA LEU A 66 4.554 7.210 -0.882 1.00 0.00 C ATOM 1046 C LEU A 66 5.456 8.350 -0.426 1.00 0.00 C ATOM 1047 O LEU A 66 5.501 8.683 0.757 1.00 0.00 O ATOM 1048 CB LEU A 66 5.293 5.877 -0.786 1.00 0.00 C ATOM 1049 CG LEU A 66 4.498 4.670 -1.290 1.00 0.00 C ATOM 1050 CD1 LEU A 66 5.198 3.368 -0.931 1.00 0.00 C ATOM 1051 CD2 LEU A 66 3.090 4.690 -0.722 1.00 0.00 C ATOM 0 H LEU A 66 4.653 6.968 -2.961 1.00 0.00 H new ATOM 0 HA LEU A 66 3.686 7.185 -0.223 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.220 5.949 -1.355 1.00 0.00 H new ATOM 0 HB3 LEU A 66 5.570 5.704 0.254 1.00 0.00 H new ATOM 0 HG LEU A 66 4.438 4.733 -2.377 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.612 2.526 -1.301 1.00 0.00 H new ATOM 0 HD12 LEU A 66 6.188 3.349 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 66 5.296 3.294 0.152 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.537 3.826 -1.090 1.00 0.00 H new ATOM 0 HD22 LEU A 66 3.136 4.655 0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 66 2.584 5.604 -1.035 1.00 0.00 H new ATOM 1063 N LEU A 67 6.167 8.953 -1.374 1.00 0.00 N ATOM 1064 CA LEU A 67 7.060 10.064 -1.066 1.00 0.00 C ATOM 1065 C LEU A 67 6.296 11.201 -0.395 1.00 0.00 C ATOM 1066 O LEU A 67 6.812 11.869 0.500 1.00 0.00 O ATOM 1067 CB LEU A 67 7.737 10.568 -2.342 1.00 0.00 C ATOM 1068 CG LEU A 67 9.081 11.267 -2.132 1.00 0.00 C ATOM 1069 CD1 LEU A 67 8.943 12.400 -1.125 1.00 0.00 C ATOM 1070 CD2 LEU A 67 10.134 10.269 -1.673 1.00 0.00 C ATOM 0 H LEU A 67 6.142 8.691 -2.360 1.00 0.00 H new ATOM 0 HA LEU A 67 7.825 9.707 -0.376 1.00 0.00 H new ATOM 0 HB2 LEU A 67 7.886 9.723 -3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 67 7.060 11.259 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 67 9.401 11.692 -3.084 1.00 0.00 H new ATOM 0 HD11 LEU A 67 9.909 12.885 -0.989 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.220 13.128 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.601 11.999 -0.171 1.00 0.00 H new ATOM 0 HD21 LEU A 67 11.084 10.783 -1.528 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.820 9.815 -0.733 1.00 0.00 H new ATOM 0 HD23 LEU A 67 10.253 9.492 -2.429 1.00 0.00 H new ATOM 1082 N GLN A 68 5.060 11.411 -0.836 1.00 0.00 N ATOM 1083 CA GLN A 68 4.217 12.464 -0.280 1.00 0.00 C ATOM 1084 C GLN A 68 3.680 12.071 1.095 1.00 0.00 C ATOM 1085 O GLN A 68 3.289 12.929 1.886 1.00 0.00 O ATOM 1086 CB GLN A 68 3.052 12.766 -1.225 1.00 0.00 C ATOM 1087 CG GLN A 68 3.492 13.262 -2.593 1.00 0.00 C ATOM 1088 CD GLN A 68 2.711 14.478 -3.052 1.00 0.00 C ATOM 1089 OE1 GLN A 68 1.840 14.380 -3.917 1.00 0.00 O ATOM 1090 NE2 GLN A 68 3.018 15.633 -2.473 1.00 0.00 N ATOM 0 H GLN A 68 4.619 10.866 -1.577 1.00 0.00 H new ATOM 0 HA GLN A 68 4.829 13.359 -0.167 1.00 0.00 H new ATOM 0 HB2 GLN A 68 2.453 11.864 -1.350 1.00 0.00 H new ATOM 0 HB3 GLN A 68 2.407 13.516 -0.766 1.00 0.00 H new ATOM 0 HG2 GLN A 68 4.554 13.507 -2.562 1.00 0.00 H new ATOM 0 HG3 GLN A 68 3.371 12.461 -3.322 1.00 0.00 H new ATOM 0 HE21 GLN A 68 3.747 15.668 -1.760 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.525 16.485 -2.741 1.00 0.00 H new ATOM 1099 N ILE A 69 3.662 10.770 1.375 1.00 0.00 N ATOM 1100 CA ILE A 69 3.171 10.270 2.655 1.00 0.00 C ATOM 1101 C ILE A 69 4.047 10.759 3.804 1.00 0.00 C ATOM 1102 O ILE A 69 5.267 10.857 3.671 1.00 0.00 O ATOM 1103 CB ILE A 69 3.126 8.728 2.676 1.00 0.00 C ATOM 1104 CG1 ILE A 69 2.340 8.201 1.473 1.00 0.00 C ATOM 1105 CG2 ILE A 69 2.516 8.227 3.978 1.00 0.00 C ATOM 1106 CD1 ILE A 69 0.853 8.473 1.546 1.00 0.00 C ATOM 0 H ILE A 69 3.981 10.044 0.733 1.00 0.00 H new ATOM 0 HA ILE A 69 2.159 10.656 2.782 1.00 0.00 H new ATOM 0 HB ILE A 69 4.147 8.352 2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 69 2.738 8.653 0.565 1.00 0.00 H new ATOM 0 HG13 ILE A 69 2.499 7.126 1.390 1.00 0.00 H new ATOM 0 HG21 ILE A 69 2.493 7.137 3.973 1.00 0.00 H new ATOM 0 HG22 ILE A 69 3.117 8.574 4.819 1.00 0.00 H new ATOM 0 HG23 ILE A 69 1.500 8.611 4.075 1.00 0.00 H new ATOM 0 HD11 ILE A 69 0.365 8.070 0.658 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.439 7.997 2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.682 9.548 1.597 1.00 0.00 H new ATOM 1118 N ASP A 70 3.416 11.068 4.933 1.00 0.00 N ATOM 1119 CA ASP A 70 4.138 11.546 6.105 1.00 0.00 C ATOM 1120 C ASP A 70 5.033 10.454 6.680 1.00 0.00 C ATOM 1121 O ASP A 70 4.595 9.323 6.888 1.00 0.00 O ATOM 1122 CB ASP A 70 3.155 12.030 7.174 1.00 0.00 C ATOM 1123 CG ASP A 70 3.660 13.253 7.913 1.00 0.00 C ATOM 1124 OD1 ASP A 70 4.804 13.216 8.411 1.00 0.00 O ATOM 1125 OD2 ASP A 70 2.910 14.249 7.996 1.00 0.00 O ATOM 0 H ASP A 70 2.407 10.996 5.060 1.00 0.00 H new ATOM 0 HA ASP A 70 4.768 12.379 5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.198 12.261 6.706 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.974 11.226 7.888 1.00 0.00 H new ATOM 1130 N GLY A 71 6.291 10.800 6.935 1.00 0.00 N ATOM 1131 CA GLY A 71 7.230 9.838 7.483 1.00 0.00 C ATOM 1132 C GLY A 71 8.075 9.175 6.413 1.00 0.00 C ATOM 1133 O GLY A 71 9.247 8.874 6.638 1.00 0.00 O ATOM 0 H GLY A 71 6.677 11.730 6.772 1.00 0.00 H new ATOM 0 HA2 GLY A 71 7.883 10.339 8.198 1.00 0.00 H new ATOM 0 HA3 GLY A 71 6.682 9.074 8.034 1.00 0.00 H new ATOM 1137 N VAL A 72 7.479 8.948 5.248 1.00 0.00 N ATOM 1138 CA VAL A 72 8.185 8.317 4.139 1.00 0.00 C ATOM 1139 C VAL A 72 9.077 9.319 3.414 1.00 0.00 C ATOM 1140 O VAL A 72 8.678 10.458 3.171 1.00 0.00 O ATOM 1141 CB VAL A 72 7.202 7.697 3.127 1.00 0.00 C ATOM 1142 CG1 VAL A 72 7.945 6.825 2.125 1.00 0.00 C ATOM 1143 CG2 VAL A 72 6.127 6.897 3.845 1.00 0.00 C ATOM 0 H VAL A 72 6.509 9.191 5.047 1.00 0.00 H new ATOM 0 HA VAL A 72 8.802 7.527 4.566 1.00 0.00 H new ATOM 0 HB VAL A 72 6.716 8.506 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 72 7.234 6.396 1.419 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.673 7.431 1.585 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.461 6.023 2.653 1.00 0.00 H new ATOM 0 HG21 VAL A 72 5.443 6.468 3.113 1.00 0.00 H new ATOM 0 HG22 VAL A 72 6.592 6.097 4.420 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.574 7.553 4.517 1.00 0.00 H new ATOM 1153 N THR A 73 10.284 8.887 3.069 1.00 0.00 N ATOM 1154 CA THR A 73 11.232 9.747 2.369 1.00 0.00 C ATOM 1155 C THR A 73 11.858 9.016 1.185 1.00 0.00 C ATOM 1156 O THR A 73 11.511 7.872 0.896 1.00 0.00 O ATOM 1157 CB THR A 73 12.325 10.224 3.327 1.00 0.00 C ATOM 1158 OG1 THR A 73 12.890 9.130 4.026 1.00 0.00 O ATOM 1159 CG2 THR A 73 11.828 11.219 4.353 1.00 0.00 C ATOM 0 H THR A 73 10.630 7.947 3.262 1.00 0.00 H new ATOM 0 HA THR A 73 10.688 10.613 1.991 1.00 0.00 H new ATOM 0 HB THR A 73 13.067 10.716 2.698 1.00 0.00 H new ATOM 0 HG1 THR A 73 13.827 9.325 4.236 1.00 0.00 H new ATOM 0 HG21 THR A 73 12.653 11.516 5.001 1.00 0.00 H new ATOM 0 HG22 THR A 73 11.430 12.098 3.845 1.00 0.00 H new ATOM 0 HG23 THR A 73 11.042 10.761 4.954 1.00 0.00 H new ATOM 1167 N GLU A 74 12.778 9.687 0.499 1.00 0.00 N ATOM 1168 CA GLU A 74 13.449 9.102 -0.656 1.00 0.00 C ATOM 1169 C GLU A 74 14.371 7.959 -0.237 1.00 0.00 C ATOM 1170 O GLU A 74 14.555 6.996 -0.982 1.00 0.00 O ATOM 1171 CB GLU A 74 14.247 10.173 -1.404 1.00 0.00 C ATOM 1172 CG GLU A 74 14.078 10.114 -2.914 1.00 0.00 C ATOM 1173 CD GLU A 74 15.275 9.500 -3.611 1.00 0.00 C ATOM 1174 OE1 GLU A 74 15.334 8.256 -3.706 1.00 0.00 O ATOM 1175 OE2 GLU A 74 16.155 10.263 -4.062 1.00 0.00 O ATOM 0 H GLU A 74 13.076 10.636 0.723 1.00 0.00 H new ATOM 0 HA GLU A 74 12.685 8.697 -1.320 1.00 0.00 H new ATOM 0 HB2 GLU A 74 13.939 11.157 -1.050 1.00 0.00 H new ATOM 0 HB3 GLU A 74 15.304 10.063 -1.160 1.00 0.00 H new ATOM 0 HG2 GLU A 74 13.186 9.535 -3.154 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.916 11.121 -3.297 1.00 0.00 H new ATOM 1182 N ASP A 75 14.950 8.075 0.953 1.00 0.00 N ATOM 1183 CA ASP A 75 15.853 7.050 1.463 1.00 0.00 C ATOM 1184 C ASP A 75 15.079 5.842 1.982 1.00 0.00 C ATOM 1185 O ASP A 75 15.572 4.713 1.946 1.00 0.00 O ATOM 1186 CB ASP A 75 16.734 7.622 2.576 1.00 0.00 C ATOM 1187 CG ASP A 75 15.930 8.073 3.780 1.00 0.00 C ATOM 1188 OD1 ASP A 75 15.491 9.241 3.796 1.00 0.00 O ATOM 1189 OD2 ASP A 75 15.740 7.256 4.705 1.00 0.00 O ATOM 0 H ASP A 75 14.811 8.866 1.581 1.00 0.00 H new ATOM 0 HA ASP A 75 16.486 6.723 0.638 1.00 0.00 H new ATOM 0 HB2 ASP A 75 17.456 6.867 2.887 1.00 0.00 H new ATOM 0 HB3 ASP A 75 17.303 8.466 2.187 1.00 0.00 H new ATOM 1194 N LYS A 76 13.864 6.082 2.464 1.00 0.00 N ATOM 1195 CA LYS A 76 13.024 5.011 2.989 1.00 0.00 C ATOM 1196 C LYS A 76 12.230 4.344 1.871 1.00 0.00 C ATOM 1197 O LYS A 76 11.939 3.149 1.931 1.00 0.00 O ATOM 1198 CB LYS A 76 12.068 5.559 4.051 1.00 0.00 C ATOM 1199 CG LYS A 76 12.740 6.472 5.064 1.00 0.00 C ATOM 1200 CD LYS A 76 13.379 5.679 6.194 1.00 0.00 C ATOM 1201 CE LYS A 76 12.518 5.698 7.448 1.00 0.00 C ATOM 1202 NZ LYS A 76 13.265 6.215 8.627 1.00 0.00 N ATOM 0 H LYS A 76 13.439 7.008 2.502 1.00 0.00 H new ATOM 0 HA LYS A 76 13.674 4.264 3.444 1.00 0.00 H new ATOM 0 HB2 LYS A 76 11.266 6.107 3.557 1.00 0.00 H new ATOM 0 HB3 LYS A 76 11.606 4.724 4.578 1.00 0.00 H new ATOM 0 HG2 LYS A 76 13.500 7.073 4.565 1.00 0.00 H new ATOM 0 HG3 LYS A 76 12.005 7.164 5.475 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.534 4.649 5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 76 14.361 6.094 6.420 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.639 6.318 7.275 1.00 0.00 H new ATOM 0 HE3 LYS A 76 12.161 4.690 7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 12.931 5.736 9.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 14.281 6.032 8.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 13.106 7.239 8.717 1.00 0.00 H new ATOM 1216 N LEU A 77 11.886 5.122 0.851 1.00 0.00 N ATOM 1217 CA LEU A 77 11.126 4.610 -0.284 1.00 0.00 C ATOM 1218 C LEU A 77 12.044 3.899 -1.276 1.00 0.00 C ATOM 1219 O LEU A 77 11.614 3.008 -2.004 1.00 0.00 O ATOM 1220 CB LEU A 77 10.382 5.754 -0.977 1.00 0.00 C ATOM 1221 CG LEU A 77 9.174 5.339 -1.822 1.00 0.00 C ATOM 1222 CD1 LEU A 77 9.613 4.499 -3.012 1.00 0.00 C ATOM 1223 CD2 LEU A 77 8.158 4.583 -0.978 1.00 0.00 C ATOM 0 H LEU A 77 12.122 6.112 0.787 1.00 0.00 H new ATOM 0 HA LEU A 77 10.399 3.887 0.087 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.046 6.459 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 77 11.085 6.286 -1.617 1.00 0.00 H new ATOM 0 HG LEU A 77 8.697 6.244 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.739 4.215 -3.599 1.00 0.00 H new ATOM 0 HD12 LEU A 77 10.295 5.078 -3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.119 3.601 -2.657 1.00 0.00 H new ATOM 0 HD21 LEU A 77 7.309 4.298 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.622 3.687 -0.565 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.814 5.221 -0.164 1.00 0.00 H new ATOM 1235 N GLU A 78 13.311 4.301 -1.301 1.00 0.00 N ATOM 1236 CA GLU A 78 14.281 3.696 -2.207 1.00 0.00 C ATOM 1237 C GLU A 78 14.907 2.448 -1.589 1.00 0.00 C ATOM 1238 O GLU A 78 15.395 1.572 -2.302 1.00 0.00 O ATOM 1239 CB GLU A 78 15.373 4.705 -2.564 1.00 0.00 C ATOM 1240 CG GLU A 78 16.167 4.327 -3.805 1.00 0.00 C ATOM 1241 CD GLU A 78 17.624 4.732 -3.711 1.00 0.00 C ATOM 1242 OE1 GLU A 78 17.894 5.940 -3.534 1.00 0.00 O ATOM 1243 OE2 GLU A 78 18.496 3.844 -3.817 1.00 0.00 O ATOM 0 H GLU A 78 13.689 5.039 -0.707 1.00 0.00 H new ATOM 0 HA GLU A 78 13.755 3.401 -3.115 1.00 0.00 H new ATOM 0 HB2 GLU A 78 14.917 5.683 -2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 78 16.057 4.802 -1.721 1.00 0.00 H new ATOM 0 HG2 GLU A 78 16.102 3.250 -3.959 1.00 0.00 H new ATOM 0 HG3 GLU A 78 15.718 4.801 -4.678 1.00 0.00 H new ATOM 1250 N LYS A 79 14.894 2.373 -0.261 1.00 0.00 N ATOM 1251 CA LYS A 79 15.465 1.232 0.447 1.00 0.00 C ATOM 1252 C LYS A 79 14.391 0.205 0.797 1.00 0.00 C ATOM 1253 O LYS A 79 14.512 -0.971 0.458 1.00 0.00 O ATOM 1254 CB LYS A 79 16.173 1.700 1.720 1.00 0.00 C ATOM 1255 CG LYS A 79 16.995 0.612 2.395 1.00 0.00 C ATOM 1256 CD LYS A 79 16.837 0.647 3.908 1.00 0.00 C ATOM 1257 CE LYS A 79 18.177 0.818 4.606 1.00 0.00 C ATOM 1258 NZ LYS A 79 18.062 0.643 6.080 1.00 0.00 N ATOM 0 H LYS A 79 14.494 3.089 0.346 1.00 0.00 H new ATOM 0 HA LYS A 79 16.190 0.756 -0.214 1.00 0.00 H new ATOM 0 HB2 LYS A 79 16.826 2.538 1.475 1.00 0.00 H new ATOM 0 HB3 LYS A 79 15.428 2.071 2.424 1.00 0.00 H new ATOM 0 HG2 LYS A 79 16.687 -0.364 2.019 1.00 0.00 H new ATOM 0 HG3 LYS A 79 18.046 0.736 2.136 1.00 0.00 H new ATOM 0 HD2 LYS A 79 16.174 1.466 4.186 1.00 0.00 H new ATOM 0 HD3 LYS A 79 16.365 -0.275 4.247 1.00 0.00 H new ATOM 0 HE2 LYS A 79 18.888 0.094 4.209 1.00 0.00 H new ATOM 0 HE3 LYS A 79 18.576 1.809 4.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 18.813 1.185 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 17.133 0.986 6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 18.159 -0.365 6.319 1.00 0.00 H new ATOM 1272 N TYR A 80 13.346 0.656 1.483 1.00 0.00 N ATOM 1273 CA TYR A 80 12.257 -0.227 1.887 1.00 0.00 C ATOM 1274 C TYR A 80 11.257 -0.435 0.751 1.00 0.00 C ATOM 1275 O TYR A 80 10.540 -1.435 0.723 1.00 0.00 O ATOM 1276 CB TYR A 80 11.539 0.342 3.111 1.00 0.00 C ATOM 1277 CG TYR A 80 12.447 0.559 4.299 1.00 0.00 C ATOM 1278 CD1 TYR A 80 13.356 -0.417 4.690 1.00 0.00 C ATOM 1279 CD2 TYR A 80 12.399 1.740 5.029 1.00 0.00 C ATOM 1280 CE1 TYR A 80 14.189 -0.223 5.775 1.00 0.00 C ATOM 1281 CE2 TYR A 80 13.229 1.942 6.115 1.00 0.00 C ATOM 1282 CZ TYR A 80 14.123 0.958 6.484 1.00 0.00 C ATOM 1283 OH TYR A 80 14.951 1.157 7.564 1.00 0.00 O ATOM 0 H TYR A 80 13.230 1.628 1.771 1.00 0.00 H new ATOM 0 HA TYR A 80 12.691 -1.194 2.140 1.00 0.00 H new ATOM 0 HB2 TYR A 80 11.075 1.291 2.841 1.00 0.00 H new ATOM 0 HB3 TYR A 80 10.735 -0.336 3.398 1.00 0.00 H new ATOM 0 HD1 TYR A 80 13.412 -1.343 4.136 1.00 0.00 H new ATOM 0 HD2 TYR A 80 11.701 2.513 4.743 1.00 0.00 H new ATOM 0 HE1 TYR A 80 14.888 -0.993 6.067 1.00 0.00 H new ATOM 0 HE2 TYR A 80 13.178 2.866 6.672 1.00 0.00 H new ATOM 0 HH TYR A 80 14.508 1.744 8.212 1.00 0.00 H new ATOM 1293 N GLY A 81 11.210 0.515 -0.180 1.00 0.00 N ATOM 1294 CA GLY A 81 10.287 0.415 -1.301 1.00 0.00 C ATOM 1295 C GLY A 81 10.302 -0.952 -1.961 1.00 0.00 C ATOM 1296 O GLY A 81 9.298 -1.389 -2.524 1.00 0.00 O ATOM 0 H GLY A 81 11.793 1.352 -0.179 1.00 0.00 H new ATOM 0 HA2 GLY A 81 9.277 0.634 -0.954 1.00 0.00 H new ATOM 0 HA3 GLY A 81 10.540 1.173 -2.042 1.00 0.00 H new ATOM 1300 N ALA A 82 11.444 -1.626 -1.897 1.00 0.00 N ATOM 1301 CA ALA A 82 11.589 -2.948 -2.495 1.00 0.00 C ATOM 1302 C ALA A 82 10.798 -3.998 -1.720 1.00 0.00 C ATOM 1303 O ALA A 82 10.374 -5.008 -2.282 1.00 0.00 O ATOM 1304 CB ALA A 82 13.057 -3.336 -2.566 1.00 0.00 C ATOM 0 H ALA A 82 12.285 -1.278 -1.436 1.00 0.00 H new ATOM 0 HA ALA A 82 11.185 -2.905 -3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.151 -4.325 -3.014 1.00 0.00 H new ATOM 0 HB2 ALA A 82 13.596 -2.609 -3.174 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.478 -3.352 -1.561 1.00 0.00 H new ATOM 1310 N GLU A 83 10.608 -3.758 -0.427 1.00 0.00 N ATOM 1311 CA GLU A 83 9.873 -4.688 0.422 1.00 0.00 C ATOM 1312 C GLU A 83 8.410 -4.274 0.557 1.00 0.00 C ATOM 1313 O GLU A 83 7.505 -5.029 0.198 1.00 0.00 O ATOM 1314 CB GLU A 83 10.525 -4.771 1.804 1.00 0.00 C ATOM 1315 CG GLU A 83 10.744 -6.196 2.286 1.00 0.00 C ATOM 1316 CD GLU A 83 11.898 -6.880 1.580 1.00 0.00 C ATOM 1317 OE1 GLU A 83 13.056 -6.673 1.999 1.00 0.00 O ATOM 1318 OE2 GLU A 83 11.643 -7.623 0.609 1.00 0.00 O ATOM 0 H GLU A 83 10.953 -2.928 0.056 1.00 0.00 H new ATOM 0 HA GLU A 83 9.906 -5.671 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 83 11.484 -4.254 1.776 1.00 0.00 H new ATOM 0 HB3 GLU A 83 9.899 -4.244 2.525 1.00 0.00 H new ATOM 0 HG2 GLU A 83 10.934 -6.187 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 83 9.833 -6.773 2.128 1.00 0.00 H new ATOM 1325 N VAL A 84 8.182 -3.073 1.082 1.00 0.00 N ATOM 1326 CA VAL A 84 6.827 -2.562 1.270 1.00 0.00 C ATOM 1327 C VAL A 84 5.984 -2.739 0.009 1.00 0.00 C ATOM 1328 O VAL A 84 4.901 -3.325 0.053 1.00 0.00 O ATOM 1329 CB VAL A 84 6.821 -1.071 1.669 1.00 0.00 C ATOM 1330 CG1 VAL A 84 7.100 -0.918 3.155 1.00 0.00 C ATOM 1331 CG2 VAL A 84 7.826 -0.280 0.845 1.00 0.00 C ATOM 0 H VAL A 84 8.918 -2.435 1.385 1.00 0.00 H new ATOM 0 HA VAL A 84 6.393 -3.146 2.082 1.00 0.00 H new ATOM 0 HB VAL A 84 5.830 -0.667 1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.092 0.139 3.420 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.332 -1.440 3.725 1.00 0.00 H new ATOM 0 HG13 VAL A 84 8.076 -1.343 3.388 1.00 0.00 H new ATOM 0 HG21 VAL A 84 7.800 0.767 1.147 1.00 0.00 H new ATOM 0 HG22 VAL A 84 8.826 -0.681 1.009 1.00 0.00 H new ATOM 0 HG23 VAL A 84 7.572 -0.359 -0.212 1.00 0.00 H new ATOM 1341 N ILE A 85 6.483 -2.231 -1.116 1.00 0.00 N ATOM 1342 CA ILE A 85 5.770 -2.336 -2.383 1.00 0.00 C ATOM 1343 C ILE A 85 5.504 -3.794 -2.744 1.00 0.00 C ATOM 1344 O ILE A 85 4.531 -4.104 -3.426 1.00 0.00 O ATOM 1345 CB ILE A 85 6.547 -1.662 -3.532 1.00 0.00 C ATOM 1346 CG1 ILE A 85 6.788 -0.184 -3.211 1.00 0.00 C ATOM 1347 CG2 ILE A 85 5.789 -1.810 -4.846 1.00 0.00 C ATOM 1348 CD1 ILE A 85 7.369 0.602 -4.368 1.00 0.00 C ATOM 0 H ILE A 85 7.377 -1.744 -1.174 1.00 0.00 H new ATOM 0 HA ILE A 85 4.820 -1.818 -2.252 1.00 0.00 H new ATOM 0 HB ILE A 85 7.513 -2.155 -3.638 1.00 0.00 H new ATOM 0 HG12 ILE A 85 5.845 0.272 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 85 7.463 -0.112 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 85 6.351 -1.329 -5.646 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.663 -2.868 -5.076 1.00 0.00 H new ATOM 0 HG23 ILE A 85 4.810 -1.339 -4.756 1.00 0.00 H new ATOM 0 HD11 ILE A 85 7.512 1.640 -4.067 1.00 0.00 H new ATOM 0 HD12 ILE A 85 8.328 0.171 -4.655 1.00 0.00 H new ATOM 0 HD13 ILE A 85 6.685 0.561 -5.216 1.00 0.00 H new ATOM 1360 N SER A 86 6.372 -4.686 -2.280 1.00 0.00 N ATOM 1361 CA SER A 86 6.215 -6.109 -2.556 1.00 0.00 C ATOM 1362 C SER A 86 4.873 -6.606 -2.026 1.00 0.00 C ATOM 1363 O SER A 86 4.249 -7.492 -2.610 1.00 0.00 O ATOM 1364 CB SER A 86 7.356 -6.906 -1.921 1.00 0.00 C ATOM 1365 OG SER A 86 7.798 -7.941 -2.782 1.00 0.00 O ATOM 0 H SER A 86 7.187 -4.451 -1.714 1.00 0.00 H new ATOM 0 HA SER A 86 6.244 -6.256 -3.636 1.00 0.00 H new ATOM 0 HB2 SER A 86 8.187 -6.238 -1.694 1.00 0.00 H new ATOM 0 HB3 SER A 86 7.023 -7.333 -0.975 1.00 0.00 H new ATOM 0 HG SER A 86 8.528 -8.434 -2.353 1.00 0.00 H new ATOM 1371 N VAL A 87 4.438 -6.023 -0.915 1.00 0.00 N ATOM 1372 CA VAL A 87 3.171 -6.392 -0.296 1.00 0.00 C ATOM 1373 C VAL A 87 2.019 -5.537 -0.825 1.00 0.00 C ATOM 1374 O VAL A 87 0.853 -5.911 -0.702 1.00 0.00 O ATOM 1375 CB VAL A 87 3.235 -6.246 1.236 1.00 0.00 C ATOM 1376 CG1 VAL A 87 2.015 -6.880 1.886 1.00 0.00 C ATOM 1377 CG2 VAL A 87 4.516 -6.860 1.780 1.00 0.00 C ATOM 0 H VAL A 87 4.947 -5.289 -0.423 1.00 0.00 H new ATOM 0 HA VAL A 87 2.990 -7.436 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 87 3.237 -5.184 1.479 1.00 0.00 H new ATOM 0 HG11 VAL A 87 2.079 -6.766 2.968 1.00 0.00 H new ATOM 0 HG12 VAL A 87 1.112 -6.389 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 87 1.978 -7.940 1.634 1.00 0.00 H new ATOM 0 HG21 VAL A 87 4.542 -6.747 2.864 1.00 0.00 H new ATOM 0 HG22 VAL A 87 4.549 -7.919 1.525 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.376 -6.355 1.341 1.00 0.00 H new ATOM 1387 N LEU A 88 2.351 -4.382 -1.399 1.00 0.00 N ATOM 1388 CA LEU A 88 1.337 -3.474 -1.928 1.00 0.00 C ATOM 1389 C LEU A 88 0.933 -3.841 -3.354 1.00 0.00 C ATOM 1390 O LEU A 88 -0.124 -3.426 -3.830 1.00 0.00 O ATOM 1391 CB LEU A 88 1.842 -2.031 -1.885 1.00 0.00 C ATOM 1392 CG LEU A 88 1.786 -1.366 -0.505 1.00 0.00 C ATOM 1393 CD1 LEU A 88 3.159 -0.859 -0.095 1.00 0.00 C ATOM 1394 CD2 LEU A 88 0.772 -0.229 -0.494 1.00 0.00 C ATOM 0 H LEU A 88 3.311 -4.054 -1.509 1.00 0.00 H new ATOM 0 HA LEU A 88 0.454 -3.569 -1.296 1.00 0.00 H new ATOM 0 HB2 LEU A 88 2.873 -2.012 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 88 1.254 -1.435 -2.583 1.00 0.00 H new ATOM 0 HG LEU A 88 1.468 -2.116 0.219 1.00 0.00 H new ATOM 0 HD11 LEU A 88 3.096 -0.391 0.887 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.858 -1.694 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.509 -0.128 -0.823 1.00 0.00 H new ATOM 0 HD21 LEU A 88 0.749 0.228 0.495 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.057 0.520 -1.233 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.216 -0.620 -0.736 1.00 0.00 H new ATOM 1406 N GLN A 89 1.773 -4.611 -4.034 1.00 0.00 N ATOM 1407 CA GLN A 89 1.492 -5.019 -5.406 1.00 0.00 C ATOM 1408 C GLN A 89 0.130 -5.703 -5.507 1.00 0.00 C ATOM 1409 O GLN A 89 -0.527 -5.653 -6.549 1.00 0.00 O ATOM 1410 CB GLN A 89 2.585 -5.961 -5.912 1.00 0.00 C ATOM 1411 CG GLN A 89 2.749 -5.948 -7.423 1.00 0.00 C ATOM 1412 CD GLN A 89 3.062 -7.321 -7.987 1.00 0.00 C ATOM 1413 OE1 GLN A 89 2.528 -7.717 -9.022 1.00 0.00 O ATOM 1414 NE2 GLN A 89 3.933 -8.055 -7.304 1.00 0.00 N ATOM 0 H GLN A 89 2.653 -4.965 -3.659 1.00 0.00 H new ATOM 0 HA GLN A 89 1.474 -4.123 -6.027 1.00 0.00 H new ATOM 0 HB2 GLN A 89 3.533 -5.685 -5.450 1.00 0.00 H new ATOM 0 HB3 GLN A 89 2.356 -6.976 -5.589 1.00 0.00 H new ATOM 0 HG2 GLN A 89 1.835 -5.571 -7.881 1.00 0.00 H new ATOM 0 HG3 GLN A 89 3.548 -5.258 -7.692 1.00 0.00 H new ATOM 0 HE21 GLN A 89 4.352 -7.686 -6.450 1.00 0.00 H new ATOM 0 HE22 GLN A 89 4.183 -8.987 -7.633 1.00 0.00 H new ATOM 1423 N LYS A 90 -0.288 -6.344 -4.420 1.00 0.00 N ATOM 1424 CA LYS A 90 -1.568 -7.042 -4.384 1.00 0.00 C ATOM 1425 C LYS A 90 -2.736 -6.060 -4.403 1.00 0.00 C ATOM 1426 O LYS A 90 -3.813 -6.374 -4.909 1.00 0.00 O ATOM 1427 CB LYS A 90 -1.654 -7.928 -3.139 1.00 0.00 C ATOM 1428 CG LYS A 90 -0.434 -8.810 -2.936 1.00 0.00 C ATOM 1429 CD LYS A 90 -0.763 -10.030 -2.089 1.00 0.00 C ATOM 1430 CE LYS A 90 -0.283 -9.858 -0.656 1.00 0.00 C ATOM 1431 NZ LYS A 90 1.150 -10.229 -0.503 1.00 0.00 N ATOM 0 H LYS A 90 0.243 -6.394 -3.550 1.00 0.00 H new ATOM 0 HA LYS A 90 -1.632 -7.666 -5.276 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -1.785 -7.295 -2.261 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -2.540 -8.559 -3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -0.050 -9.131 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.357 -8.234 -2.455 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -1.840 -10.199 -2.096 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.299 -10.914 -2.526 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.425 -8.822 -0.347 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -0.890 -10.474 0.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 1.439 -10.098 0.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.282 -11.225 -0.773 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 1.733 -9.624 -1.116 1.00 0.00 H new ATOM 1445 N TYR A 91 -2.519 -4.872 -3.847 1.00 0.00 N ATOM 1446 CA TYR A 91 -3.561 -3.850 -3.802 1.00 0.00 C ATOM 1447 C TYR A 91 -3.824 -3.277 -5.190 1.00 0.00 C ATOM 1448 O TYR A 91 -4.964 -3.238 -5.651 1.00 0.00 O ATOM 1449 CB TYR A 91 -3.166 -2.726 -2.843 1.00 0.00 C ATOM 1450 CG TYR A 91 -2.592 -3.211 -1.529 1.00 0.00 C ATOM 1451 CD1 TYR A 91 -2.980 -4.429 -0.982 1.00 0.00 C ATOM 1452 CD2 TYR A 91 -1.657 -2.451 -0.838 1.00 0.00 C ATOM 1453 CE1 TYR A 91 -2.449 -4.874 0.215 1.00 0.00 C ATOM 1454 CE2 TYR A 91 -1.125 -2.888 0.358 1.00 0.00 C ATOM 1455 CZ TYR A 91 -1.524 -4.100 0.880 1.00 0.00 C ATOM 1456 OH TYR A 91 -0.991 -4.542 2.069 1.00 0.00 O ATOM 0 H TYR A 91 -1.634 -4.593 -3.423 1.00 0.00 H new ATOM 0 HA TYR A 91 -4.476 -4.320 -3.442 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -2.433 -2.085 -3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -4.043 -2.111 -2.640 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -3.707 -5.037 -1.500 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -1.341 -1.501 -1.244 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -2.758 -5.824 0.626 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -0.400 -2.284 0.882 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.354 -3.879 2.408 1.00 0.00 H new ATOM 1466 N SER A 92 -2.760 -2.830 -5.851 1.00 0.00 N ATOM 1467 CA SER A 92 -2.876 -2.255 -7.186 1.00 0.00 C ATOM 1468 C SER A 92 -3.569 -3.222 -8.143 1.00 0.00 C ATOM 1469 O SER A 92 -4.177 -2.803 -9.130 1.00 0.00 O ATOM 1470 CB SER A 92 -1.493 -1.888 -7.727 1.00 0.00 C ATOM 1471 OG SER A 92 -0.679 -3.040 -7.875 1.00 0.00 O ATOM 0 H SER A 92 -1.809 -2.855 -5.484 1.00 0.00 H new ATOM 0 HA SER A 92 -3.483 -1.353 -7.112 1.00 0.00 H new ATOM 0 HB2 SER A 92 -1.597 -1.387 -8.689 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.010 -1.183 -7.051 1.00 0.00 H new ATOM 0 HG SER A 92 0.044 -3.017 -7.214 1.00 0.00 H new ATOM 1477 N GLU A 93 -3.472 -4.515 -7.850 1.00 0.00 N ATOM 1478 CA GLU A 93 -4.092 -5.536 -8.687 1.00 0.00 C ATOM 1479 C GLU A 93 -5.503 -5.863 -8.204 1.00 0.00 C ATOM 1480 O GLU A 93 -6.346 -6.312 -8.981 1.00 0.00 O ATOM 1481 CB GLU A 93 -3.237 -6.804 -8.697 1.00 0.00 C ATOM 1482 CG GLU A 93 -3.253 -7.540 -10.028 1.00 0.00 C ATOM 1483 CD GLU A 93 -2.108 -7.131 -10.932 1.00 0.00 C ATOM 1484 OE1 GLU A 93 -1.005 -7.699 -10.787 1.00 0.00 O ATOM 1485 OE2 GLU A 93 -2.313 -6.242 -11.786 1.00 0.00 O ATOM 0 H GLU A 93 -2.971 -4.880 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 93 -4.161 -5.142 -9.701 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.209 -6.540 -8.450 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.591 -7.476 -7.915 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.202 -8.614 -9.846 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.198 -7.347 -10.535 1.00 0.00 H new