USER MOD reduce.3.24.130724 H: found=0, std=0, add=558, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 34 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00591) USER MOD Single : A 28 HIS :FLIP no HD1:sc= -4.28 F(o=-4.9,f=-4.3) USER MOD Single : A 29 ASN : amide:sc= -0.437 X(o=-0.44,f=-0.045) USER MOD Single : A 30 SER OG : rot -83:sc= 0.295 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl 169:sc= -0.012 (180deg=-0.0703) USER MOD Single : A 46 CYS SG : rot -30:sc= -3.64 USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.606 F(o=-2.3,f=-0.61) USER MOD Single : A 52 HIS :FLIP no HD1:sc= -0.175 F(o=-0.87,f=-0.17) 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 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.207) USER MOD Single : A 78 GLN : amide:sc= -0.205 X(o=-0.21,f=-0.22) USER MOD Single : A 81 HIS : no HD1:sc= -0.0638 K(o=-0.064,f=-0.7) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 190 N ILE A 16 5.486 13.039 5.011 1.00 0.00 N ATOM 191 CA ILE A 16 5.051 11.657 4.847 1.00 0.00 C ATOM 192 C ILE A 16 3.618 11.588 4.329 1.00 0.00 C ATOM 193 O ILE A 16 2.784 12.426 4.669 1.00 0.00 O ATOM 194 CB ILE A 16 5.145 10.877 6.171 1.00 0.00 C ATOM 195 CG1 ILE A 16 6.610 10.665 6.561 1.00 0.00 C ATOM 196 CG2 ILE A 16 4.425 9.542 6.052 1.00 0.00 C ATOM 197 CD1 ILE A 16 7.475 10.179 5.421 1.00 0.00 C ATOM 0 HA ILE A 16 5.720 11.201 4.117 1.00 0.00 H new ATOM 0 HB ILE A 16 4.661 11.460 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.016 11.603 6.940 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.659 9.944 7.377 1.00 0.00 H new ATOM 0 HG21 ILE A 16 4.500 9.002 6.996 1.00 0.00 H new ATOM 0 HG22 ILE A 16 3.375 9.715 5.816 1.00 0.00 H new ATOM 0 HG23 ILE A 16 4.883 8.951 5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 16 8.499 10.051 5.771 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.094 9.225 5.056 1.00 0.00 H new ATOM 0 HD13 ILE A 16 7.456 10.910 4.613 1.00 0.00 H new ATOM 209 N ALA A 17 3.341 10.582 3.506 1.00 0.00 N ATOM 210 CA ALA A 17 2.008 10.401 2.944 1.00 0.00 C ATOM 211 C ALA A 17 1.426 9.048 3.339 1.00 0.00 C ATOM 212 O ALA A 17 1.901 8.005 2.892 1.00 0.00 O ATOM 213 CB ALA A 17 2.050 10.539 1.430 1.00 0.00 C ATOM 0 H ALA A 17 4.021 9.880 3.214 1.00 0.00 H new ATOM 0 HA ALA A 17 1.360 11.178 3.350 1.00 0.00 H new ATOM 0 HB1 ALA A 17 1.048 10.401 1.024 1.00 0.00 H new ATOM 0 HB2 ALA A 17 2.416 11.531 1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 17 2.717 9.784 1.014 1.00 0.00 H new ATOM 219 N GLU A 18 0.395 9.074 4.177 1.00 0.00 N ATOM 220 CA GLU A 18 -0.251 7.848 4.631 1.00 0.00 C ATOM 221 C GLU A 18 -1.456 7.511 3.759 1.00 0.00 C ATOM 222 O GLU A 18 -2.473 8.204 3.791 1.00 0.00 O ATOM 223 CB GLU A 18 -0.687 7.985 6.092 1.00 0.00 C ATOM 224 CG GLU A 18 -0.884 6.655 6.797 1.00 0.00 C ATOM 225 CD GLU A 18 -1.811 6.758 7.992 1.00 0.00 C ATOM 226 OE1 GLU A 18 -3.043 6.758 7.790 1.00 0.00 O ATOM 227 OE2 GLU A 18 -1.303 6.840 9.131 1.00 0.00 O ATOM 0 H GLU A 18 -0.011 9.930 4.555 1.00 0.00 H new ATOM 0 HA GLU A 18 0.472 7.036 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.061 8.565 6.632 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.619 8.549 6.133 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -1.288 5.930 6.090 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.084 6.275 7.125 1.00 0.00 H new ATOM 234 N VAL A 19 -1.334 6.443 2.978 1.00 0.00 N ATOM 235 CA VAL A 19 -2.413 6.014 2.096 1.00 0.00 C ATOM 236 C VAL A 19 -2.825 4.576 2.392 1.00 0.00 C ATOM 237 O VAL A 19 -2.004 3.661 2.343 1.00 0.00 O ATOM 238 CB VAL A 19 -2.005 6.124 0.615 1.00 0.00 C ATOM 239 CG1 VAL A 19 -3.122 5.622 -0.286 1.00 0.00 C ATOM 240 CG2 VAL A 19 -1.635 7.558 0.270 1.00 0.00 C ATOM 0 H VAL A 19 -0.499 5.859 2.938 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.257 6.678 2.283 1.00 0.00 H new ATOM 0 HB VAL A 19 -1.129 5.497 0.450 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.815 5.708 -1.328 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.334 4.578 -0.055 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.019 6.220 -0.122 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.349 7.617 -0.780 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.491 8.208 0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -0.799 7.878 0.892 1.00 0.00 H new ATOM 250 N GLU A 20 -4.105 4.385 2.698 1.00 0.00 N ATOM 251 CA GLU A 20 -4.627 3.058 3.003 1.00 0.00 C ATOM 252 C GLU A 20 -5.397 2.489 1.814 1.00 0.00 C ATOM 253 O GLU A 20 -5.859 3.232 0.948 1.00 0.00 O ATOM 254 CB GLU A 20 -5.535 3.112 4.234 1.00 0.00 C ATOM 255 CG GLU A 20 -4.856 3.685 5.466 1.00 0.00 C ATOM 256 CD GLU A 20 -4.833 5.201 5.469 1.00 0.00 C ATOM 257 OE1 GLU A 20 -5.919 5.811 5.567 1.00 0.00 O ATOM 258 OE2 GLU A 20 -3.730 5.779 5.372 1.00 0.00 O ATOM 0 H GLU A 20 -4.799 5.132 2.741 1.00 0.00 H new ATOM 0 HA GLU A 20 -3.781 2.403 3.213 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.414 3.713 4.001 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -5.888 2.106 4.459 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.373 3.332 6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.834 3.310 5.520 1.00 0.00 H new ATOM 265 N VAL A 21 -5.530 1.167 1.780 1.00 0.00 N ATOM 266 CA VAL A 21 -6.244 0.498 0.699 1.00 0.00 C ATOM 267 C VAL A 21 -7.038 -0.694 1.220 1.00 0.00 C ATOM 268 O VAL A 21 -6.617 -1.371 2.157 1.00 0.00 O ATOM 269 CB VAL A 21 -5.277 0.018 -0.399 1.00 0.00 C ATOM 270 CG1 VAL A 21 -4.351 -1.062 0.140 1.00 0.00 C ATOM 271 CG2 VAL A 21 -6.052 -0.487 -1.607 1.00 0.00 C ATOM 0 H VAL A 21 -5.153 0.538 2.489 1.00 0.00 H new ATOM 0 HA VAL A 21 -6.931 1.229 0.273 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.665 0.863 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.675 -1.389 -0.650 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.771 -0.662 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -4.943 -1.910 0.485 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.353 -0.822 -2.373 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.690 -1.319 -1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.669 0.318 -2.006 1.00 0.00 H new ATOM 281 N SER A 22 -8.188 -0.947 0.605 1.00 0.00 N ATOM 282 CA SER A 22 -9.044 -2.056 1.008 1.00 0.00 C ATOM 283 C SER A 22 -8.515 -3.378 0.458 1.00 0.00 C ATOM 284 O SER A 22 -8.394 -3.554 -0.755 1.00 0.00 O ATOM 285 CB SER A 22 -10.477 -1.826 0.523 1.00 0.00 C ATOM 286 OG SER A 22 -11.342 -2.847 0.988 1.00 0.00 O ATOM 0 H SER A 22 -8.549 -0.398 -0.175 1.00 0.00 H new ATOM 0 HA SER A 22 -9.041 -2.107 2.097 1.00 0.00 H new ATOM 0 HB2 SER A 22 -10.832 -0.857 0.873 1.00 0.00 H new ATOM 0 HB3 SER A 22 -10.495 -1.797 -0.566 1.00 0.00 H new ATOM 0 HG SER A 22 -12.252 -2.677 0.666 1.00 0.00 H new ATOM 292 N ILE A 23 -8.200 -4.302 1.359 1.00 0.00 N ATOM 293 CA ILE A 23 -7.685 -5.608 0.966 1.00 0.00 C ATOM 294 C ILE A 23 -7.925 -6.646 2.056 1.00 0.00 C ATOM 295 O ILE A 23 -7.729 -6.390 3.245 1.00 0.00 O ATOM 296 CB ILE A 23 -6.178 -5.548 0.653 1.00 0.00 C ATOM 297 CG1 ILE A 23 -5.905 -4.525 -0.451 1.00 0.00 C ATOM 298 CG2 ILE A 23 -5.666 -6.922 0.249 1.00 0.00 C ATOM 299 CD1 ILE A 23 -4.463 -4.502 -0.911 1.00 0.00 C ATOM 0 H ILE A 23 -8.292 -4.171 2.366 1.00 0.00 H new ATOM 0 HA ILE A 23 -8.224 -5.901 0.065 1.00 0.00 H new ATOM 0 HB ILE A 23 -5.647 -5.234 1.552 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -6.547 -4.744 -1.305 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -6.179 -3.533 -0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.600 -6.863 0.031 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -5.831 -7.626 1.064 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -6.200 -7.263 -0.638 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -4.343 -3.754 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.817 -4.253 -0.069 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.190 -5.483 -1.301 1.00 0.00 H new ATOM 311 N PRO A 24 -8.360 -7.846 1.646 1.00 0.00 N ATOM 312 CA PRO A 24 -8.634 -8.949 2.573 1.00 0.00 C ATOM 313 C PRO A 24 -7.362 -9.513 3.195 1.00 0.00 C ATOM 314 O PRO A 24 -6.283 -9.432 2.607 1.00 0.00 O ATOM 315 CB PRO A 24 -9.306 -9.999 1.685 1.00 0.00 C ATOM 316 CG PRO A 24 -8.806 -9.711 0.312 1.00 0.00 C ATOM 317 CD PRO A 24 -8.616 -8.221 0.244 1.00 0.00 C ATOM 0 HA PRO A 24 -9.245 -8.630 3.417 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.043 -11.009 1.998 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -10.392 -9.923 1.735 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.868 -10.233 0.121 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.518 -10.048 -0.441 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.781 -7.951 -0.403 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -9.500 -7.721 -0.151 1.00 0.00 H new ATOM 325 N ALA A 25 -7.495 -10.084 4.387 1.00 0.00 N ATOM 326 CA ALA A 25 -6.356 -10.664 5.088 1.00 0.00 C ATOM 327 C ALA A 25 -5.905 -11.960 4.424 1.00 0.00 C ATOM 328 O ALA A 25 -4.738 -12.342 4.513 1.00 0.00 O ATOM 329 CB ALA A 25 -6.706 -10.912 6.549 1.00 0.00 C ATOM 0 H ALA A 25 -8.380 -10.158 4.888 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.530 -9.954 5.038 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.847 -11.345 7.061 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.973 -9.968 7.024 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.549 -11.600 6.609 1.00 0.00 H new ATOM 335 N LYS A 26 -6.836 -12.634 3.757 1.00 0.00 N ATOM 336 CA LYS A 26 -6.534 -13.887 3.077 1.00 0.00 C ATOM 337 C LYS A 26 -5.387 -13.706 2.087 1.00 0.00 C ATOM 338 O LYS A 26 -4.566 -14.606 1.901 1.00 0.00 O ATOM 339 CB LYS A 26 -7.774 -14.406 2.346 1.00 0.00 C ATOM 340 CG LYS A 26 -8.021 -13.729 1.008 1.00 0.00 C ATOM 341 CD LYS A 26 -9.501 -13.685 0.671 1.00 0.00 C ATOM 342 CE LYS A 26 -9.744 -13.046 -0.689 1.00 0.00 C ATOM 343 NZ LYS A 26 -9.367 -13.957 -1.805 1.00 0.00 N ATOM 0 H LYS A 26 -7.807 -12.333 3.673 1.00 0.00 H new ATOM 0 HA LYS A 26 -6.231 -14.616 3.829 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -7.669 -15.479 2.186 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.647 -14.263 2.983 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -7.622 -12.715 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.484 -14.263 0.224 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.907 -14.697 0.677 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.034 -13.123 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.796 -12.776 -0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -9.170 -12.123 -0.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.579 -13.498 -2.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.350 -14.168 -1.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.908 -14.842 -1.729 1.00 0.00 H new ATOM 357 N LEU A 27 -5.335 -12.538 1.457 1.00 0.00 N ATOM 358 CA LEU A 27 -4.286 -12.239 0.487 1.00 0.00 C ATOM 359 C LEU A 27 -3.048 -11.677 1.179 1.00 0.00 C ATOM 360 O LEU A 27 -1.919 -11.953 0.774 1.00 0.00 O ATOM 361 CB LEU A 27 -4.798 -11.243 -0.555 1.00 0.00 C ATOM 362 CG LEU A 27 -5.974 -11.712 -1.412 1.00 0.00 C ATOM 363 CD1 LEU A 27 -6.490 -10.576 -2.280 1.00 0.00 C ATOM 364 CD2 LEU A 27 -5.567 -12.899 -2.272 1.00 0.00 C ATOM 0 H LEU A 27 -6.006 -11.783 1.600 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.010 -13.168 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.092 -10.328 -0.040 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.972 -10.985 -1.218 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.778 -12.028 -0.748 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.327 -10.930 -2.882 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.822 -9.755 -1.645 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -5.692 -10.228 -2.936 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.416 -13.219 -2.875 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.745 -12.609 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.247 -13.720 -1.631 1.00 0.00 H new ATOM 376 N HIS A 28 -3.269 -10.889 2.226 1.00 0.00 N ATOM 377 CA HIS A 28 -2.171 -10.291 2.977 1.00 0.00 C ATOM 378 C HIS A 28 -1.000 -11.262 3.095 1.00 0.00 C ATOM 379 O HIS A 28 0.079 -11.017 2.557 1.00 0.00 O ATOM 380 CB HIS A 28 -2.645 -9.874 4.370 1.00 0.00 C ATOM 381 CG HIS A 28 -3.527 -8.664 4.365 1.00 0.00 C ATOM 382 ND1 HIS A 28 -4.101 -7.990 3.341 1.00 0.00 N flip ATOM 383 CD2 HIS A 28 -3.911 -8.007 5.516 1.00 0.00 C flip ATOM 384 CE1 HIS A 28 -4.814 -6.950 3.885 1.00 0.00 C flip ATOM 385 NE2 HIS A 28 -4.683 -6.983 5.199 1.00 0.00 N flip ATOM 0 H HIS A 28 -4.198 -10.650 2.574 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.834 -9.407 2.436 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -3.184 -10.705 4.825 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.775 -9.677 4.997 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -3.625 -8.286 6.519 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -5.388 -6.224 3.329 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -5.106 -6.329 5.857 1.00 0.00 H new ATOM 393 N ASN A 29 -1.221 -12.365 3.802 1.00 0.00 N ATOM 394 CA ASN A 29 -0.185 -13.373 3.991 1.00 0.00 C ATOM 395 C ASN A 29 0.480 -13.726 2.664 1.00 0.00 C ATOM 396 O ASN A 29 1.683 -13.976 2.608 1.00 0.00 O ATOM 397 CB ASN A 29 -0.777 -14.631 4.629 1.00 0.00 C ATOM 398 CG ASN A 29 -2.111 -15.015 4.017 1.00 0.00 C ATOM 399 OD1 ASN A 29 -2.164 -15.618 2.946 1.00 0.00 O ATOM 400 ND2 ASN A 29 -3.196 -14.667 4.699 1.00 0.00 N ATOM 0 H ASN A 29 -2.109 -12.584 4.254 1.00 0.00 H new ATOM 0 HA ASN A 29 0.572 -12.959 4.657 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -0.076 -15.458 4.514 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -0.905 -14.467 5.699 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -4.121 -14.899 4.338 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -3.104 -14.167 5.584 1.00 0.00 H new ATOM 407 N SER A 30 -0.314 -13.742 1.598 1.00 0.00 N ATOM 408 CA SER A 30 0.196 -14.068 0.270 1.00 0.00 C ATOM 409 C SER A 30 1.134 -12.975 -0.234 1.00 0.00 C ATOM 410 O SER A 30 2.296 -13.235 -0.549 1.00 0.00 O ATOM 411 CB SER A 30 -0.962 -14.256 -0.711 1.00 0.00 C ATOM 412 OG SER A 30 -1.304 -13.031 -1.338 1.00 0.00 O ATOM 0 H SER A 30 -1.312 -13.533 1.627 1.00 0.00 H new ATOM 0 HA SER A 30 0.757 -15.000 0.341 1.00 0.00 H new ATOM 0 HB2 SER A 30 -0.686 -14.991 -1.467 1.00 0.00 H new ATOM 0 HB3 SER A 30 -1.829 -14.652 -0.183 1.00 0.00 H new ATOM 0 HG SER A 30 -1.900 -12.519 -0.752 1.00 0.00 H new ATOM 418 N LEU A 31 0.620 -11.752 -0.308 1.00 0.00 N ATOM 419 CA LEU A 31 1.410 -10.618 -0.774 1.00 0.00 C ATOM 420 C LEU A 31 2.691 -10.474 0.042 1.00 0.00 C ATOM 421 O LEU A 31 3.772 -10.275 -0.511 1.00 0.00 O ATOM 422 CB LEU A 31 0.590 -9.330 -0.688 1.00 0.00 C ATOM 423 CG LEU A 31 -0.318 -9.032 -1.882 1.00 0.00 C ATOM 424 CD1 LEU A 31 -1.516 -8.202 -1.448 1.00 0.00 C ATOM 425 CD2 LEU A 31 0.459 -8.317 -2.977 1.00 0.00 C ATOM 0 H LEU A 31 -0.340 -11.521 -0.051 1.00 0.00 H new ATOM 0 HA LEU A 31 1.682 -10.800 -1.814 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.027 -9.375 0.210 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.277 -8.493 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 31 -0.683 -9.978 -2.281 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.150 -8.000 -2.311 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -2.087 -8.751 -0.699 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.171 -7.260 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -0.203 -8.113 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.853 -7.378 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.284 -8.947 -3.309 1.00 0.00 H new ATOM 437 N ILE A 32 2.561 -10.578 1.361 1.00 0.00 N ATOM 438 CA ILE A 32 3.708 -10.463 2.252 1.00 0.00 C ATOM 439 C ILE A 32 4.747 -11.537 1.953 1.00 0.00 C ATOM 440 O ILE A 32 5.894 -11.233 1.627 1.00 0.00 O ATOM 441 CB ILE A 32 3.285 -10.570 3.730 1.00 0.00 C ATOM 442 CG1 ILE A 32 2.183 -9.556 4.042 1.00 0.00 C ATOM 443 CG2 ILE A 32 4.485 -10.355 4.640 1.00 0.00 C ATOM 444 CD1 ILE A 32 1.320 -9.946 5.223 1.00 0.00 C ATOM 0 H ILE A 32 1.673 -10.742 1.835 1.00 0.00 H new ATOM 0 HA ILE A 32 4.146 -9.480 2.078 1.00 0.00 H new ATOM 0 HB ILE A 32 2.892 -11.571 3.910 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.639 -8.586 4.240 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.550 -9.438 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.171 -10.433 5.681 1.00 0.00 H new ATOM 0 HG22 ILE A 32 5.241 -11.112 4.431 1.00 0.00 H new ATOM 0 HG23 ILE A 32 4.904 -9.365 4.461 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.560 -9.182 5.387 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.836 -10.901 5.020 1.00 0.00 H new ATOM 0 HD13 ILE A 32 1.942 -10.036 6.114 1.00 0.00 H new ATOM 456 N GLY A 33 4.337 -12.797 2.065 1.00 0.00 N ATOM 457 CA GLY A 33 5.245 -13.899 1.801 1.00 0.00 C ATOM 458 C GLY A 33 5.608 -14.663 3.059 1.00 0.00 C ATOM 459 O GLY A 33 5.424 -14.169 4.172 1.00 0.00 O ATOM 0 H GLY A 33 3.393 -13.074 2.334 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.786 -14.581 1.085 1.00 0.00 H new ATOM 0 HA3 GLY A 33 6.154 -13.514 1.338 1.00 0.00 H new ATOM 463 N THR A 34 6.126 -15.876 2.884 1.00 0.00 N ATOM 464 CA THR A 34 6.515 -16.711 4.013 1.00 0.00 C ATOM 465 C THR A 34 7.278 -15.905 5.056 1.00 0.00 C ATOM 466 O THR A 34 7.019 -16.018 6.255 1.00 0.00 O ATOM 467 CB THR A 34 7.385 -17.898 3.560 1.00 0.00 C ATOM 468 OG1 THR A 34 7.666 -18.754 4.673 1.00 0.00 O ATOM 469 CG2 THR A 34 8.689 -17.410 2.946 1.00 0.00 C ATOM 0 H THR A 34 6.285 -16.301 1.971 1.00 0.00 H new ATOM 0 HA THR A 34 5.595 -17.093 4.455 1.00 0.00 H new ATOM 0 HB THR A 34 6.833 -18.457 2.804 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.218 -19.507 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 34 9.287 -18.266 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 34 8.472 -16.784 2.081 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.244 -16.830 3.683 1.00 0.00 H new ATOM 477 N LYS A 35 8.221 -15.091 4.595 1.00 0.00 N ATOM 478 CA LYS A 35 9.022 -14.262 5.488 1.00 0.00 C ATOM 479 C LYS A 35 9.058 -12.817 5.004 1.00 0.00 C ATOM 480 O LYS A 35 10.094 -12.156 5.068 1.00 0.00 O ATOM 481 CB LYS A 35 10.447 -14.813 5.587 1.00 0.00 C ATOM 482 CG LYS A 35 10.644 -15.784 6.739 1.00 0.00 C ATOM 483 CD LYS A 35 10.271 -17.202 6.344 1.00 0.00 C ATOM 484 CE LYS A 35 11.090 -18.229 7.109 1.00 0.00 C ATOM 485 NZ LYS A 35 10.586 -19.613 6.897 1.00 0.00 N ATOM 0 H LYS A 35 8.450 -14.987 3.606 1.00 0.00 H new ATOM 0 HA LYS A 35 8.560 -14.284 6.475 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.700 -15.314 4.653 1.00 0.00 H new ATOM 0 HB3 LYS A 35 11.142 -13.981 5.701 1.00 0.00 H new ATOM 0 HG2 LYS A 35 11.684 -15.758 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 35 10.037 -15.470 7.588 1.00 0.00 H new ATOM 0 HD2 LYS A 35 9.210 -17.366 6.534 1.00 0.00 H new ATOM 0 HD3 LYS A 35 10.427 -17.335 5.274 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.132 -18.170 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 35 11.065 -17.993 8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.172 -20.282 7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.600 -19.677 7.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.633 -19.848 5.885 1.00 0.00 H new ATOM 499 N GLY A 36 7.918 -12.331 4.522 1.00 0.00 N ATOM 500 CA GLY A 36 7.840 -10.965 4.036 1.00 0.00 C ATOM 501 C GLY A 36 8.925 -10.647 3.026 1.00 0.00 C ATOM 502 O GLY A 36 9.649 -9.662 3.172 1.00 0.00 O ATOM 0 H GLY A 36 7.047 -12.858 4.459 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.864 -10.800 3.580 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.919 -10.278 4.878 1.00 0.00 H new ATOM 506 N ARG A 37 9.039 -11.483 1.999 1.00 0.00 N ATOM 507 CA ARG A 37 10.045 -11.289 0.962 1.00 0.00 C ATOM 508 C ARG A 37 9.422 -10.687 -0.294 1.00 0.00 C ATOM 509 O ARG A 37 10.057 -9.904 -1.002 1.00 0.00 O ATOM 510 CB ARG A 37 10.722 -12.616 0.622 1.00 0.00 C ATOM 511 CG ARG A 37 11.292 -12.667 -0.786 1.00 0.00 C ATOM 512 CD ARG A 37 12.305 -13.792 -0.937 1.00 0.00 C ATOM 513 NE ARG A 37 12.913 -13.804 -2.265 1.00 0.00 N ATOM 514 CZ ARG A 37 12.361 -14.389 -3.321 1.00 0.00 C ATOM 515 NH1 ARG A 37 11.192 -15.006 -3.207 1.00 0.00 N ATOM 516 NH2 ARG A 37 12.976 -14.359 -4.496 1.00 0.00 N ATOM 0 H ARG A 37 8.446 -12.302 1.863 1.00 0.00 H new ATOM 0 HA ARG A 37 10.794 -10.595 1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 37 11.525 -12.798 1.336 1.00 0.00 H new ATOM 0 HB3 ARG A 37 10.000 -13.424 0.742 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.483 -12.806 -1.503 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.766 -11.715 -1.022 1.00 0.00 H new ATOM 0 HD2 ARG A 37 13.084 -13.683 -0.182 1.00 0.00 H new ATOM 0 HD3 ARG A 37 11.815 -14.748 -0.753 1.00 0.00 H new ATOM 0 HE ARG A 37 13.811 -13.337 -2.388 1.00 0.00 H new ATOM 0 HH11 ARG A 37 10.715 -15.032 -2.306 1.00 0.00 H new ATOM 0 HH12 ARG A 37 10.771 -15.454 -4.020 1.00 0.00 H new ATOM 0 HH21 ARG A 37 13.875 -13.886 -4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.550 -14.809 -5.306 1.00 0.00 H new ATOM 530 N LEU A 38 8.175 -11.058 -0.565 1.00 0.00 N ATOM 531 CA LEU A 38 7.465 -10.555 -1.737 1.00 0.00 C ATOM 532 C LEU A 38 7.131 -9.076 -1.578 1.00 0.00 C ATOM 533 O LEU A 38 6.915 -8.369 -2.563 1.00 0.00 O ATOM 534 CB LEU A 38 6.183 -11.358 -1.962 1.00 0.00 C ATOM 535 CG LEU A 38 6.344 -12.683 -2.710 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.648 -13.811 -1.738 1.00 0.00 C ATOM 537 CD2 LEU A 38 5.091 -12.995 -3.516 1.00 0.00 C ATOM 0 H LEU A 38 7.635 -11.705 0.010 1.00 0.00 H new ATOM 0 HA LEU A 38 8.116 -10.670 -2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.732 -11.564 -0.991 1.00 0.00 H new ATOM 0 HB3 LEU A 38 5.480 -10.735 -2.514 1.00 0.00 H new ATOM 0 HG LEU A 38 7.183 -12.589 -3.400 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.759 -14.745 -2.288 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.573 -13.592 -1.204 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.830 -13.906 -1.023 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.223 -13.941 -4.042 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.236 -13.069 -2.845 1.00 0.00 H new ATOM 0 HD23 LEU A 38 4.916 -12.199 -4.240 1.00 0.00 H new ATOM 549 N ILE A 39 7.092 -8.613 -0.333 1.00 0.00 N ATOM 550 CA ILE A 39 6.787 -7.217 -0.046 1.00 0.00 C ATOM 551 C ILE A 39 8.062 -6.402 0.135 1.00 0.00 C ATOM 552 O ILE A 39 8.196 -5.308 -0.414 1.00 0.00 O ATOM 553 CB ILE A 39 5.920 -7.079 1.220 1.00 0.00 C ATOM 554 CG1 ILE A 39 4.464 -7.433 0.907 1.00 0.00 C ATOM 555 CG2 ILE A 39 6.019 -5.667 1.777 1.00 0.00 C ATOM 556 CD1 ILE A 39 3.781 -6.438 -0.005 1.00 0.00 C ATOM 0 H ILE A 39 7.268 -9.185 0.493 1.00 0.00 H new ATOM 0 HA ILE A 39 6.231 -6.833 -0.902 1.00 0.00 H new ATOM 0 HB ILE A 39 6.290 -7.773 1.975 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.430 -8.420 0.445 1.00 0.00 H new ATOM 0 HG13 ILE A 39 3.906 -7.499 1.841 1.00 0.00 H new ATOM 0 HG21 ILE A 39 5.401 -5.584 2.671 1.00 0.00 H new ATOM 0 HG22 ILE A 39 7.056 -5.448 2.031 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.671 -4.955 1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.753 -6.754 -0.183 1.00 0.00 H new ATOM 0 HD12 ILE A 39 3.783 -5.454 0.464 1.00 0.00 H new ATOM 0 HD13 ILE A 39 4.315 -6.389 -0.954 1.00 0.00 H new ATOM 568 N ARG A 40 9.000 -6.943 0.907 1.00 0.00 N ATOM 569 CA ARG A 40 10.267 -6.267 1.159 1.00 0.00 C ATOM 570 C ARG A 40 10.883 -5.765 -0.143 1.00 0.00 C ATOM 571 O ARG A 40 11.671 -4.818 -0.144 1.00 0.00 O ATOM 572 CB ARG A 40 11.241 -7.210 1.867 1.00 0.00 C ATOM 573 CG ARG A 40 11.985 -8.139 0.922 1.00 0.00 C ATOM 574 CD ARG A 40 13.096 -8.889 1.638 1.00 0.00 C ATOM 575 NE ARG A 40 14.050 -9.480 0.702 1.00 0.00 N ATOM 576 CZ ARG A 40 15.282 -9.842 1.040 1.00 0.00 C ATOM 577 NH1 ARG A 40 15.708 -9.676 2.285 1.00 0.00 N ATOM 578 NH2 ARG A 40 16.091 -10.375 0.132 1.00 0.00 N ATOM 0 H ARG A 40 8.906 -7.848 1.369 1.00 0.00 H new ATOM 0 HA ARG A 40 10.071 -5.409 1.802 1.00 0.00 H new ATOM 0 HB2 ARG A 40 11.966 -6.618 2.426 1.00 0.00 H new ATOM 0 HB3 ARG A 40 10.691 -7.809 2.593 1.00 0.00 H new ATOM 0 HG2 ARG A 40 11.286 -8.852 0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 40 12.406 -7.561 0.099 1.00 0.00 H new ATOM 0 HD2 ARG A 40 13.620 -8.207 2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 40 12.662 -9.674 2.258 1.00 0.00 H new ATOM 0 HE ARG A 40 13.753 -9.622 -0.263 1.00 0.00 H new ATOM 0 HH11 ARG A 40 15.089 -9.269 2.986 1.00 0.00 H new ATOM 0 HH12 ARG A 40 16.655 -9.955 2.541 1.00 0.00 H new ATOM 0 HH21 ARG A 40 15.766 -10.507 -0.826 1.00 0.00 H new ATOM 0 HH22 ARG A 40 17.037 -10.653 0.392 1.00 0.00 H new ATOM 592 N SER A 41 10.520 -6.404 -1.249 1.00 0.00 N ATOM 593 CA SER A 41 11.042 -6.026 -2.558 1.00 0.00 C ATOM 594 C SER A 41 10.417 -4.718 -3.033 1.00 0.00 C ATOM 595 O SER A 41 11.122 -3.758 -3.345 1.00 0.00 O ATOM 596 CB SER A 41 10.771 -7.133 -3.579 1.00 0.00 C ATOM 597 OG SER A 41 11.336 -6.816 -4.838 1.00 0.00 O ATOM 0 H SER A 41 9.866 -7.187 -1.266 1.00 0.00 H new ATOM 0 HA SER A 41 12.119 -5.883 -2.465 1.00 0.00 H new ATOM 0 HB2 SER A 41 11.185 -8.074 -3.218 1.00 0.00 H new ATOM 0 HB3 SER A 41 9.696 -7.278 -3.686 1.00 0.00 H new ATOM 0 HG SER A 41 11.150 -7.540 -5.472 1.00 0.00 H new ATOM 603 N ILE A 42 9.090 -4.687 -3.085 1.00 0.00 N ATOM 604 CA ILE A 42 8.369 -3.498 -3.521 1.00 0.00 C ATOM 605 C ILE A 42 8.748 -2.285 -2.678 1.00 0.00 C ATOM 606 O ILE A 42 9.006 -1.204 -3.207 1.00 0.00 O ATOM 607 CB ILE A 42 6.845 -3.704 -3.448 1.00 0.00 C ATOM 608 CG1 ILE A 42 6.395 -4.730 -4.490 1.00 0.00 C ATOM 609 CG2 ILE A 42 6.121 -2.381 -3.652 1.00 0.00 C ATOM 610 CD1 ILE A 42 5.002 -5.266 -4.247 1.00 0.00 C ATOM 0 H ILE A 42 8.492 -5.473 -2.830 1.00 0.00 H new ATOM 0 HA ILE A 42 8.653 -3.320 -4.558 1.00 0.00 H new ATOM 0 HB ILE A 42 6.593 -4.085 -2.459 1.00 0.00 H new ATOM 0 HG12 ILE A 42 6.432 -4.272 -5.479 1.00 0.00 H new ATOM 0 HG13 ILE A 42 7.100 -5.562 -4.497 1.00 0.00 H new ATOM 0 HG21 ILE A 42 5.045 -2.543 -3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 42 6.422 -1.678 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 42 6.378 -1.973 -4.630 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.749 -5.988 -5.024 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.964 -5.753 -3.273 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.287 -4.444 -4.269 1.00 0.00 H new ATOM 622 N MET A 43 8.784 -2.474 -1.363 1.00 0.00 N ATOM 623 CA MET A 43 9.135 -1.396 -0.446 1.00 0.00 C ATOM 624 C MET A 43 10.459 -0.753 -0.845 1.00 0.00 C ATOM 625 O MET A 43 10.604 0.469 -0.804 1.00 0.00 O ATOM 626 CB MET A 43 9.223 -1.925 0.987 1.00 0.00 C ATOM 627 CG MET A 43 7.876 -2.312 1.575 1.00 0.00 C ATOM 628 SD MET A 43 7.831 -2.153 3.371 1.00 0.00 S ATOM 629 CE MET A 43 8.874 -3.525 3.859 1.00 0.00 C ATOM 0 H MET A 43 8.575 -3.363 -0.909 1.00 0.00 H new ATOM 0 HA MET A 43 8.353 -0.639 -0.499 1.00 0.00 H new ATOM 0 HB2 MET A 43 9.881 -2.794 1.005 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.681 -1.164 1.619 1.00 0.00 H new ATOM 0 HG2 MET A 43 7.099 -1.684 1.139 1.00 0.00 H new ATOM 0 HG3 MET A 43 7.646 -3.341 1.299 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.104 -3.447 4.922 1.00 0.00 H new ATOM 0 HE2 MET A 43 8.354 -4.464 3.668 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.800 -3.500 3.284 1.00 0.00 H new ATOM 639 N GLU A 44 11.423 -1.583 -1.231 1.00 0.00 N ATOM 640 CA GLU A 44 12.736 -1.095 -1.636 1.00 0.00 C ATOM 641 C GLU A 44 12.696 -0.546 -3.059 1.00 0.00 C ATOM 642 O GLU A 44 12.960 0.634 -3.288 1.00 0.00 O ATOM 643 CB GLU A 44 13.774 -2.213 -1.537 1.00 0.00 C ATOM 644 CG GLU A 44 15.203 -1.709 -1.423 1.00 0.00 C ATOM 645 CD GLU A 44 16.204 -2.832 -1.227 1.00 0.00 C ATOM 646 OE1 GLU A 44 16.594 -3.461 -2.232 1.00 0.00 O ATOM 647 OE2 GLU A 44 16.597 -3.078 -0.068 1.00 0.00 O ATOM 0 H GLU A 44 11.319 -2.597 -1.272 1.00 0.00 H new ATOM 0 HA GLU A 44 13.019 -0.287 -0.961 1.00 0.00 H new ATOM 0 HB2 GLU A 44 13.546 -2.833 -0.670 1.00 0.00 H new ATOM 0 HB3 GLU A 44 13.692 -2.852 -2.416 1.00 0.00 H new ATOM 0 HG2 GLU A 44 15.460 -1.151 -2.323 1.00 0.00 H new ATOM 0 HG3 GLU A 44 15.274 -1.014 -0.586 1.00 0.00 H new ATOM 654 N GLU A 45 12.366 -1.412 -4.011 1.00 0.00 N ATOM 655 CA GLU A 45 12.294 -1.015 -5.413 1.00 0.00 C ATOM 656 C GLU A 45 11.559 0.313 -5.564 1.00 0.00 C ATOM 657 O GLU A 45 11.998 1.197 -6.301 1.00 0.00 O ATOM 658 CB GLU A 45 11.591 -2.096 -6.237 1.00 0.00 C ATOM 659 CG GLU A 45 12.396 -3.378 -6.371 1.00 0.00 C ATOM 660 CD GLU A 45 13.577 -3.231 -7.311 1.00 0.00 C ATOM 661 OE1 GLU A 45 13.360 -3.238 -8.541 1.00 0.00 O ATOM 662 OE2 GLU A 45 14.716 -3.108 -6.817 1.00 0.00 O ATOM 0 H GLU A 45 12.144 -2.392 -3.838 1.00 0.00 H new ATOM 0 HA GLU A 45 13.312 -0.892 -5.782 1.00 0.00 H new ATOM 0 HB2 GLU A 45 10.631 -2.326 -5.775 1.00 0.00 H new ATOM 0 HB3 GLU A 45 11.380 -1.703 -7.232 1.00 0.00 H new ATOM 0 HG2 GLU A 45 12.755 -3.681 -5.388 1.00 0.00 H new ATOM 0 HG3 GLU A 45 11.746 -4.175 -6.733 1.00 0.00 H new ATOM 669 N CYS A 46 10.439 0.446 -4.863 1.00 0.00 N ATOM 670 CA CYS A 46 9.641 1.666 -4.920 1.00 0.00 C ATOM 671 C CYS A 46 10.469 2.877 -4.502 1.00 0.00 C ATOM 672 O CYS A 46 10.568 3.858 -5.238 1.00 0.00 O ATOM 673 CB CYS A 46 8.411 1.538 -4.020 1.00 0.00 C ATOM 674 SG CYS A 46 7.110 2.745 -4.370 1.00 0.00 S ATOM 0 H CYS A 46 10.063 -0.276 -4.248 1.00 0.00 H new ATOM 0 HA CYS A 46 9.315 1.810 -5.950 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.999 0.535 -4.127 1.00 0.00 H new ATOM 0 HB3 CYS A 46 8.722 1.646 -2.981 1.00 0.00 H new ATOM 0 HG CYS A 46 7.644 3.838 -4.828 1.00 0.00 H new ATOM 680 N GLY A 47 11.060 2.802 -3.313 1.00 0.00 N ATOM 681 CA GLY A 47 11.870 3.899 -2.818 1.00 0.00 C ATOM 682 C GLY A 47 12.242 3.731 -1.358 1.00 0.00 C ATOM 683 O GLY A 47 13.311 4.165 -0.928 1.00 0.00 O ATOM 0 H GLY A 47 10.992 2.001 -2.685 1.00 0.00 H new ATOM 0 HA2 GLY A 47 12.779 3.974 -3.415 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.326 4.835 -2.946 1.00 0.00 H new ATOM 687 N GLY A 48 11.357 3.100 -0.592 1.00 0.00 N ATOM 688 CA GLY A 48 11.616 2.889 0.821 1.00 0.00 C ATOM 689 C GLY A 48 10.397 3.155 1.680 1.00 0.00 C ATOM 690 O GLY A 48 10.494 3.795 2.727 1.00 0.00 O ATOM 0 H GLY A 48 10.466 2.731 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 48 11.949 1.863 0.977 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.430 3.540 1.139 1.00 0.00 H new ATOM 694 N VAL A 49 9.243 2.667 1.236 1.00 0.00 N ATOM 695 CA VAL A 49 7.998 2.857 1.971 1.00 0.00 C ATOM 696 C VAL A 49 7.724 1.680 2.901 1.00 0.00 C ATOM 697 O VAL A 49 8.194 0.565 2.666 1.00 0.00 O ATOM 698 CB VAL A 49 6.803 3.031 1.016 1.00 0.00 C ATOM 699 CG1 VAL A 49 6.975 4.281 0.168 1.00 0.00 C ATOM 700 CG2 VAL A 49 6.639 1.799 0.138 1.00 0.00 C ATOM 0 H VAL A 49 9.144 2.137 0.370 1.00 0.00 H new ATOM 0 HA VAL A 49 8.115 3.765 2.563 1.00 0.00 H new ATOM 0 HB VAL A 49 5.898 3.147 1.612 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.121 4.387 -0.501 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.039 5.155 0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.889 4.198 -0.421 1.00 0.00 H new ATOM 0 HG21 VAL A 49 5.790 1.939 -0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.544 1.649 -0.451 1.00 0.00 H new ATOM 0 HG23 VAL A 49 6.466 0.925 0.766 1.00 0.00 H new ATOM 710 N HIS A 50 6.961 1.934 3.959 1.00 0.00 N ATOM 711 CA HIS A 50 6.623 0.895 4.926 1.00 0.00 C ATOM 712 C HIS A 50 5.132 0.573 4.877 1.00 0.00 C ATOM 713 O HIS A 50 4.291 1.468 4.961 1.00 0.00 O ATOM 714 CB HIS A 50 7.016 1.334 6.337 1.00 0.00 C ATOM 715 CG HIS A 50 8.442 1.777 6.450 1.00 0.00 C ATOM 716 ND1 HIS A 50 9.230 2.458 5.585 1.00 0.00 N flip ATOM 717 CD2 HIS A 50 9.223 1.525 7.558 1.00 0.00 C flip ATOM 718 CE1 HIS A 50 10.458 2.605 6.180 1.00 0.00 C flip ATOM 719 NE2 HIS A 50 10.427 2.034 7.371 1.00 0.00 N flip ATOM 0 H HIS A 50 6.565 2.850 4.169 1.00 0.00 H new ATOM 0 HA HIS A 50 7.180 -0.005 4.666 1.00 0.00 H new ATOM 0 HB2 HIS A 50 6.365 2.150 6.650 1.00 0.00 H new ATOM 0 HB3 HIS A 50 6.845 0.508 7.027 1.00 0.00 H new ATOM 0 HD2 HIS A 50 8.900 0.994 8.441 1.00 0.00 H new ATOM 0 HE1 HIS A 50 11.311 3.106 5.746 1.00 0.00 H new ATOM 0 HE2 HIS A 50 11.201 1.993 8.033 1.00 0.00 H new ATOM 727 N ILE A 51 4.813 -0.710 4.741 1.00 0.00 N ATOM 728 CA ILE A 51 3.425 -1.150 4.682 1.00 0.00 C ATOM 729 C ILE A 51 3.010 -1.834 5.979 1.00 0.00 C ATOM 730 O ILE A 51 3.816 -2.504 6.626 1.00 0.00 O ATOM 731 CB ILE A 51 3.190 -2.115 3.506 1.00 0.00 C ATOM 732 CG1 ILE A 51 3.641 -1.474 2.192 1.00 0.00 C ATOM 733 CG2 ILE A 51 1.724 -2.513 3.431 1.00 0.00 C ATOM 734 CD1 ILE A 51 3.927 -2.476 1.097 1.00 0.00 C ATOM 0 H ILE A 51 5.497 -1.463 4.670 1.00 0.00 H new ATOM 0 HA ILE A 51 2.817 -0.258 4.535 1.00 0.00 H new ATOM 0 HB ILE A 51 3.783 -3.015 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 51 2.869 -0.785 1.850 1.00 0.00 H new ATOM 0 HG13 ILE A 51 4.538 -0.882 2.375 1.00 0.00 H new ATOM 0 HG21 ILE A 51 1.575 -3.195 2.594 1.00 0.00 H new ATOM 0 HG22 ILE A 51 1.433 -3.007 4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.112 -1.623 3.287 1.00 0.00 H new ATOM 0 HD11 ILE A 51 4.241 -1.950 0.196 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.720 -3.150 1.419 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.026 -3.051 0.886 1.00 0.00 H new ATOM 746 N HIS A 52 1.746 -1.666 6.353 1.00 0.00 N ATOM 747 CA HIS A 52 1.221 -2.270 7.573 1.00 0.00 C ATOM 748 C HIS A 52 0.233 -3.386 7.245 1.00 0.00 C ATOM 749 O HIS A 52 -0.835 -3.137 6.683 1.00 0.00 O ATOM 750 CB HIS A 52 0.543 -1.211 8.442 1.00 0.00 C ATOM 751 CG HIS A 52 1.491 -0.189 8.990 1.00 0.00 C ATOM 752 ND1 HIS A 52 2.635 0.322 8.478 1.00 0.00 N flip ATOM 753 CD2 HIS A 52 1.311 0.426 10.210 1.00 0.00 C flip ATOM 754 CE1 HIS A 52 3.119 1.230 9.388 1.00 0.00 C flip ATOM 755 NE2 HIS A 52 2.301 1.273 10.425 1.00 0.00 N flip ATOM 0 H HIS A 52 1.065 -1.116 5.829 1.00 0.00 H new ATOM 0 HA HIS A 52 2.057 -2.699 8.125 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -0.223 -0.706 7.853 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.034 -1.704 9.271 1.00 0.00 H new ATOM 0 HD2 HIS A 52 0.488 0.244 10.885 1.00 0.00 H new ATOM 0 HE1 HIS A 52 4.021 1.813 9.275 1.00 0.00 H new ATOM 0 HE2 HIS A 52 2.415 1.861 11.251 1.00 0.00 H new ATOM 763 N PHE A 53 0.595 -4.614 7.599 1.00 0.00 N ATOM 764 CA PHE A 53 -0.259 -5.767 7.340 1.00 0.00 C ATOM 765 C PHE A 53 -0.677 -6.437 8.646 1.00 0.00 C ATOM 766 O PHE A 53 0.126 -7.063 9.338 1.00 0.00 O ATOM 767 CB PHE A 53 0.466 -6.776 6.447 1.00 0.00 C ATOM 768 CG PHE A 53 0.278 -6.520 4.979 1.00 0.00 C ATOM 769 CD1 PHE A 53 -0.941 -6.769 4.370 1.00 0.00 C ATOM 770 CD2 PHE A 53 1.320 -6.031 4.208 1.00 0.00 C ATOM 771 CE1 PHE A 53 -1.117 -6.536 3.019 1.00 0.00 C ATOM 772 CE2 PHE A 53 1.151 -5.795 2.857 1.00 0.00 C ATOM 773 CZ PHE A 53 -0.070 -6.047 2.262 1.00 0.00 C ATOM 0 H PHE A 53 1.474 -4.837 8.066 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.155 -5.416 6.827 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.531 -6.754 6.678 1.00 0.00 H new ATOM 0 HB3 PHE A 53 0.109 -7.779 6.682 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -1.763 -7.150 4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 53 2.276 -5.832 4.669 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -2.072 -6.736 2.556 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.972 -5.414 2.267 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.206 -5.862 1.207 1.00 0.00 H new ATOM 783 N PRO A 54 -1.967 -6.302 8.992 1.00 0.00 N ATOM 784 CA PRO A 54 -2.523 -6.886 10.216 1.00 0.00 C ATOM 785 C PRO A 54 -2.598 -8.408 10.150 1.00 0.00 C ATOM 786 O PRO A 54 -2.836 -8.982 9.087 1.00 0.00 O ATOM 787 CB PRO A 54 -3.928 -6.284 10.290 1.00 0.00 C ATOM 788 CG PRO A 54 -4.274 -5.954 8.879 1.00 0.00 C ATOM 789 CD PRO A 54 -2.980 -5.570 8.215 1.00 0.00 C ATOM 0 HA PRO A 54 -1.905 -6.670 11.088 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.639 -6.991 10.717 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -3.945 -5.395 10.920 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -4.731 -6.808 8.379 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.993 -5.136 8.834 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.966 -5.859 7.164 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.814 -4.493 8.252 1.00 0.00 H new ATOM 797 N VAL A 55 -2.395 -9.056 11.292 1.00 0.00 N ATOM 798 CA VAL A 55 -2.443 -10.512 11.364 1.00 0.00 C ATOM 799 C VAL A 55 -3.834 -11.034 11.027 1.00 0.00 C ATOM 800 O VAL A 55 -4.839 -10.406 11.357 1.00 0.00 O ATOM 801 CB VAL A 55 -2.041 -11.018 12.762 1.00 0.00 C ATOM 802 CG1 VAL A 55 -2.085 -12.537 12.814 1.00 0.00 C ATOM 803 CG2 VAL A 55 -0.659 -10.503 13.138 1.00 0.00 C ATOM 0 H VAL A 55 -2.196 -8.596 12.180 1.00 0.00 H new ATOM 0 HA VAL A 55 -1.730 -10.889 10.630 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.757 -10.633 13.488 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -1.798 -12.875 13.810 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.096 -12.880 12.592 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.393 -12.946 12.078 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.391 -10.870 14.129 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.071 -10.856 12.410 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.666 -9.413 13.145 1.00 0.00 H new ATOM 813 N GLU A 56 -3.884 -12.187 10.367 1.00 0.00 N ATOM 814 CA GLU A 56 -5.154 -12.793 9.984 1.00 0.00 C ATOM 815 C GLU A 56 -6.146 -12.754 11.143 1.00 0.00 C ATOM 816 O GLU A 56 -7.234 -12.192 11.024 1.00 0.00 O ATOM 817 CB GLU A 56 -4.938 -14.239 9.532 1.00 0.00 C ATOM 818 CG GLU A 56 -4.104 -14.363 8.268 1.00 0.00 C ATOM 819 CD GLU A 56 -3.966 -15.798 7.799 1.00 0.00 C ATOM 820 OE1 GLU A 56 -4.980 -16.379 7.358 1.00 0.00 O ATOM 821 OE2 GLU A 56 -2.843 -16.341 7.870 1.00 0.00 O ATOM 0 H GLU A 56 -3.061 -12.720 10.087 1.00 0.00 H new ATOM 0 HA GLU A 56 -5.567 -12.218 9.155 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.451 -14.793 10.335 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.908 -14.707 9.365 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.560 -13.768 7.477 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.113 -13.947 8.449 1.00 0.00 H new ATOM 828 N GLY A 57 -5.762 -13.358 12.264 1.00 0.00 N ATOM 829 CA GLY A 57 -6.629 -13.381 13.428 1.00 0.00 C ATOM 830 C GLY A 57 -7.444 -12.111 13.570 1.00 0.00 C ATOM 831 O GLY A 57 -8.644 -12.161 13.838 1.00 0.00 O ATOM 0 H GLY A 57 -4.867 -13.831 12.387 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.303 -14.235 13.358 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -6.025 -13.523 14.324 1.00 0.00 H new ATOM 835 N SER A 58 -6.789 -10.967 13.392 1.00 0.00 N ATOM 836 CA SER A 58 -7.460 -9.677 13.508 1.00 0.00 C ATOM 837 C SER A 58 -8.588 -9.557 12.488 1.00 0.00 C ATOM 838 O SER A 58 -9.688 -9.116 12.813 1.00 0.00 O ATOM 839 CB SER A 58 -6.456 -8.539 13.312 1.00 0.00 C ATOM 840 OG SER A 58 -7.027 -7.290 13.663 1.00 0.00 O ATOM 0 H SER A 58 -5.796 -10.908 13.167 1.00 0.00 H new ATOM 0 HA SER A 58 -7.890 -9.606 14.507 1.00 0.00 H new ATOM 0 HB2 SER A 58 -5.571 -8.722 13.921 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.128 -8.514 12.273 1.00 0.00 H new ATOM 0 HG SER A 58 -6.366 -6.579 13.531 1.00 0.00 H new ATOM 846 N GLY A 59 -8.303 -9.954 11.251 1.00 0.00 N ATOM 847 CA GLY A 59 -9.302 -9.884 10.201 1.00 0.00 C ATOM 848 C GLY A 59 -9.329 -8.533 9.516 1.00 0.00 C ATOM 849 O GLY A 59 -10.013 -8.353 8.508 1.00 0.00 O ATOM 0 H GLY A 59 -7.398 -10.323 10.958 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.102 -10.659 9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -10.285 -10.093 10.624 1.00 0.00 H new ATOM 853 N SER A 60 -8.584 -7.578 10.064 1.00 0.00 N ATOM 854 CA SER A 60 -8.529 -6.234 9.502 1.00 0.00 C ATOM 855 C SER A 60 -8.117 -6.275 8.033 1.00 0.00 C ATOM 856 O SER A 60 -7.047 -6.778 7.691 1.00 0.00 O ATOM 857 CB SER A 60 -7.549 -5.367 10.294 1.00 0.00 C ATOM 858 OG SER A 60 -7.670 -4.001 9.934 1.00 0.00 O ATOM 0 H SER A 60 -8.010 -7.711 10.897 1.00 0.00 H new ATOM 0 HA SER A 60 -9.526 -5.798 9.570 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.737 -5.483 11.361 1.00 0.00 H new ATOM 0 HB3 SER A 60 -6.529 -5.706 10.111 1.00 0.00 H new ATOM 0 HG SER A 60 -7.034 -3.468 10.455 1.00 0.00 H new ATOM 864 N ASP A 61 -8.975 -5.743 7.170 1.00 0.00 N ATOM 865 CA ASP A 61 -8.702 -5.717 5.738 1.00 0.00 C ATOM 866 C ASP A 61 -8.253 -4.328 5.295 1.00 0.00 C ATOM 867 O ASP A 61 -8.624 -3.857 4.219 1.00 0.00 O ATOM 868 CB ASP A 61 -9.944 -6.139 4.952 1.00 0.00 C ATOM 869 CG ASP A 61 -11.188 -5.392 5.390 1.00 0.00 C ATOM 870 OD1 ASP A 61 -11.452 -4.303 4.838 1.00 0.00 O ATOM 871 OD2 ASP A 61 -11.898 -5.897 6.285 1.00 0.00 O ATOM 0 H ASP A 61 -9.866 -5.324 7.437 1.00 0.00 H new ATOM 0 HA ASP A 61 -7.896 -6.422 5.535 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.774 -5.965 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -10.104 -7.210 5.078 1.00 0.00 H new ATOM 876 N THR A 62 -7.453 -3.675 6.132 1.00 0.00 N ATOM 877 CA THR A 62 -6.954 -2.340 5.828 1.00 0.00 C ATOM 878 C THR A 62 -5.431 -2.297 5.874 1.00 0.00 C ATOM 879 O THR A 62 -4.822 -2.577 6.907 1.00 0.00 O ATOM 880 CB THR A 62 -7.515 -1.294 6.812 1.00 0.00 C ATOM 881 OG1 THR A 62 -8.941 -1.231 6.698 1.00 0.00 O ATOM 882 CG2 THR A 62 -6.917 0.079 6.541 1.00 0.00 C ATOM 0 H THR A 62 -7.137 -4.050 7.026 1.00 0.00 H new ATOM 0 HA THR A 62 -7.291 -2.099 4.820 1.00 0.00 H new ATOM 0 HB THR A 62 -7.245 -1.596 7.824 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.290 -0.566 7.327 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.328 0.801 7.247 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.834 0.034 6.657 1.00 0.00 H new ATOM 0 HG23 THR A 62 -7.160 0.388 5.524 1.00 0.00 H new ATOM 890 N VAL A 63 -4.820 -1.945 4.747 1.00 0.00 N ATOM 891 CA VAL A 63 -3.367 -1.864 4.659 1.00 0.00 C ATOM 892 C VAL A 63 -2.893 -0.415 4.704 1.00 0.00 C ATOM 893 O VAL A 63 -3.115 0.351 3.766 1.00 0.00 O ATOM 894 CB VAL A 63 -2.845 -2.523 3.368 1.00 0.00 C ATOM 895 CG1 VAL A 63 -1.326 -2.466 3.316 1.00 0.00 C ATOM 896 CG2 VAL A 63 -3.337 -3.958 3.268 1.00 0.00 C ATOM 0 H VAL A 63 -5.309 -1.711 3.883 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.968 -2.401 5.520 1.00 0.00 H new ATOM 0 HB VAL A 63 -3.234 -1.969 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.975 -2.936 2.397 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.000 -1.426 3.339 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.912 -2.995 4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -2.959 -4.409 2.350 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -2.978 -4.526 4.126 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.427 -3.969 3.256 1.00 0.00 H new ATOM 906 N VAL A 64 -2.240 -0.046 5.801 1.00 0.00 N ATOM 907 CA VAL A 64 -1.733 1.311 5.969 1.00 0.00 C ATOM 908 C VAL A 64 -0.294 1.425 5.475 1.00 0.00 C ATOM 909 O VAL A 64 0.603 0.757 5.989 1.00 0.00 O ATOM 910 CB VAL A 64 -1.796 1.755 7.442 1.00 0.00 C ATOM 911 CG1 VAL A 64 -1.034 3.057 7.640 1.00 0.00 C ATOM 912 CG2 VAL A 64 -3.242 1.901 7.893 1.00 0.00 C ATOM 0 H VAL A 64 -2.049 -0.668 6.587 1.00 0.00 H new ATOM 0 HA VAL A 64 -2.371 1.964 5.373 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.323 0.988 8.055 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.089 3.355 8.687 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.009 2.915 7.358 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.475 3.835 7.017 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -3.268 2.215 8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -3.742 2.648 7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -3.754 0.944 7.790 1.00 0.00 H new ATOM 922 N ILE A 65 -0.083 2.275 4.477 1.00 0.00 N ATOM 923 CA ILE A 65 1.247 2.478 3.916 1.00 0.00 C ATOM 924 C ILE A 65 1.791 3.857 4.276 1.00 0.00 C ATOM 925 O ILE A 65 1.059 4.846 4.268 1.00 0.00 O ATOM 926 CB ILE A 65 1.241 2.326 2.384 1.00 0.00 C ATOM 927 CG1 ILE A 65 0.594 0.997 1.984 1.00 0.00 C ATOM 928 CG2 ILE A 65 2.657 2.418 1.836 1.00 0.00 C ATOM 929 CD1 ILE A 65 0.530 0.783 0.488 1.00 0.00 C ATOM 0 H ILE A 65 -0.815 2.834 4.040 1.00 0.00 H new ATOM 0 HA ILE A 65 1.891 1.711 4.347 1.00 0.00 H new ATOM 0 HB ILE A 65 0.654 3.138 1.956 1.00 0.00 H new ATOM 0 HG12 ILE A 65 1.154 0.179 2.436 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.416 0.956 2.392 1.00 0.00 H new ATOM 0 HG21 ILE A 65 2.635 2.309 0.752 1.00 0.00 H new ATOM 0 HG22 ILE A 65 3.085 3.387 2.095 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.267 1.625 2.269 1.00 0.00 H new ATOM 0 HD11 ILE A 65 0.060 -0.178 0.278 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -0.055 1.581 0.031 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.539 0.791 0.076 1.00 0.00 H new ATOM 941 N ARG A 66 3.082 3.914 4.589 1.00 0.00 N ATOM 942 CA ARG A 66 3.725 5.171 4.952 1.00 0.00 C ATOM 943 C ARG A 66 4.910 5.459 4.036 1.00 0.00 C ATOM 944 O ARG A 66 5.570 4.541 3.549 1.00 0.00 O ATOM 945 CB ARG A 66 4.190 5.129 6.408 1.00 0.00 C ATOM 946 CG ARG A 66 3.119 5.545 7.402 1.00 0.00 C ATOM 947 CD ARG A 66 3.356 4.923 8.770 1.00 0.00 C ATOM 948 NE ARG A 66 2.735 5.700 9.839 1.00 0.00 N ATOM 949 CZ ARG A 66 2.795 5.363 11.123 1.00 0.00 C ATOM 950 NH1 ARG A 66 3.446 4.268 11.495 1.00 0.00 N ATOM 951 NH2 ARG A 66 2.204 6.121 12.037 1.00 0.00 N ATOM 0 H ARG A 66 3.703 3.105 4.598 1.00 0.00 H new ATOM 0 HA ARG A 66 2.994 5.971 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.521 4.118 6.646 1.00 0.00 H new ATOM 0 HB3 ARG A 66 5.054 5.783 6.523 1.00 0.00 H new ATOM 0 HG2 ARG A 66 3.107 6.631 7.492 1.00 0.00 H new ATOM 0 HG3 ARG A 66 2.139 5.245 7.030 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.958 3.908 8.781 1.00 0.00 H new ATOM 0 HD3 ARG A 66 4.428 4.847 8.953 1.00 0.00 H new ATOM 0 HE ARG A 66 2.227 6.548 9.586 1.00 0.00 H new ATOM 0 HH11 ARG A 66 3.902 3.683 10.795 1.00 0.00 H new ATOM 0 HH12 ARG A 66 3.491 4.011 12.481 1.00 0.00 H new ATOM 0 HH21 ARG A 66 1.703 6.963 11.755 1.00 0.00 H new ATOM 0 HH22 ARG A 66 2.251 5.862 13.022 1.00 0.00 H new ATOM 965 N GLY A 67 5.176 6.742 3.804 1.00 0.00 N ATOM 966 CA GLY A 67 6.281 7.128 2.946 1.00 0.00 C ATOM 967 C GLY A 67 5.922 8.270 2.016 1.00 0.00 C ATOM 968 O GLY A 67 4.833 8.841 2.090 1.00 0.00 O ATOM 0 H GLY A 67 4.646 7.520 4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.131 7.419 3.563 1.00 0.00 H new ATOM 0 HA3 GLY A 67 6.596 6.268 2.355 1.00 0.00 H new ATOM 972 N PRO A 68 6.852 8.620 1.117 1.00 0.00 N ATOM 973 CA PRO A 68 6.653 9.706 0.152 1.00 0.00 C ATOM 974 C PRO A 68 5.617 9.353 -0.911 1.00 0.00 C ATOM 975 O PRO A 68 5.812 8.427 -1.698 1.00 0.00 O ATOM 976 CB PRO A 68 8.035 9.876 -0.483 1.00 0.00 C ATOM 977 CG PRO A 68 8.691 8.548 -0.323 1.00 0.00 C ATOM 978 CD PRO A 68 8.172 7.983 0.971 1.00 0.00 C ATOM 0 HA PRO A 68 6.275 10.611 0.629 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.956 10.155 -1.534 1.00 0.00 H new ATOM 0 HB3 PRO A 68 8.605 10.662 0.013 1.00 0.00 H new ATOM 0 HG2 PRO A 68 8.452 7.891 -1.159 1.00 0.00 H new ATOM 0 HG3 PRO A 68 9.776 8.649 -0.297 1.00 0.00 H new ATOM 0 HD2 PRO A 68 8.092 6.897 0.931 1.00 0.00 H new ATOM 0 HD3 PRO A 68 8.829 8.224 1.807 1.00 0.00 H new ATOM 986 N SER A 69 4.516 10.097 -0.927 1.00 0.00 N ATOM 987 CA SER A 69 3.448 9.861 -1.892 1.00 0.00 C ATOM 988 C SER A 69 4.019 9.444 -3.243 1.00 0.00 C ATOM 989 O SER A 69 3.677 8.387 -3.775 1.00 0.00 O ATOM 990 CB SER A 69 2.589 11.117 -2.053 1.00 0.00 C ATOM 991 OG SER A 69 2.057 11.206 -3.363 1.00 0.00 O ATOM 0 H SER A 69 4.340 10.868 -0.283 1.00 0.00 H new ATOM 0 HA SER A 69 2.825 9.050 -1.515 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.776 11.101 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.189 12.002 -1.840 1.00 0.00 H new ATOM 0 HG SER A 69 1.511 12.016 -3.440 1.00 0.00 H new ATOM 997 N SER A 70 4.891 10.282 -3.794 1.00 0.00 N ATOM 998 CA SER A 70 5.508 10.004 -5.086 1.00 0.00 C ATOM 999 C SER A 70 5.733 8.506 -5.269 1.00 0.00 C ATOM 1000 O SER A 70 5.472 7.955 -6.339 1.00 0.00 O ATOM 1001 CB SER A 70 6.838 10.750 -5.211 1.00 0.00 C ATOM 1002 OG SER A 70 7.290 10.765 -6.554 1.00 0.00 O ATOM 0 H SER A 70 5.186 11.159 -3.366 1.00 0.00 H new ATOM 0 HA SER A 70 4.831 10.350 -5.867 1.00 0.00 H new ATOM 0 HB2 SER A 70 6.720 11.772 -4.852 1.00 0.00 H new ATOM 0 HB3 SER A 70 7.586 10.274 -4.577 1.00 0.00 H new ATOM 0 HG SER A 70 8.141 11.249 -6.607 1.00 0.00 H new ATOM 1008 N ASP A 71 6.218 7.854 -4.219 1.00 0.00 N ATOM 1009 CA ASP A 71 6.477 6.420 -4.262 1.00 0.00 C ATOM 1010 C ASP A 71 5.236 5.630 -3.858 1.00 0.00 C ATOM 1011 O ASP A 71 4.893 4.627 -4.484 1.00 0.00 O ATOM 1012 CB ASP A 71 7.646 6.063 -3.341 1.00 0.00 C ATOM 1013 CG ASP A 71 8.984 6.483 -3.916 1.00 0.00 C ATOM 1014 OD1 ASP A 71 9.319 6.034 -5.032 1.00 0.00 O ATOM 1015 OD2 ASP A 71 9.696 7.263 -3.249 1.00 0.00 O ATOM 0 H ASP A 71 6.440 8.296 -3.327 1.00 0.00 H new ATOM 0 HA ASP A 71 6.737 6.154 -5.287 1.00 0.00 H new ATOM 0 HB2 ASP A 71 7.502 6.544 -2.373 1.00 0.00 H new ATOM 0 HB3 ASP A 71 7.651 4.987 -3.165 1.00 0.00 H new ATOM 1020 N VAL A 72 4.565 6.090 -2.805 1.00 0.00 N ATOM 1021 CA VAL A 72 3.362 5.428 -2.317 1.00 0.00 C ATOM 1022 C VAL A 72 2.416 5.089 -3.464 1.00 0.00 C ATOM 1023 O VAL A 72 1.898 3.977 -3.547 1.00 0.00 O ATOM 1024 CB VAL A 72 2.615 6.303 -1.292 1.00 0.00 C ATOM 1025 CG1 VAL A 72 1.422 5.555 -0.720 1.00 0.00 C ATOM 1026 CG2 VAL A 72 3.559 6.745 -0.185 1.00 0.00 C ATOM 0 H VAL A 72 4.835 6.918 -2.275 1.00 0.00 H new ATOM 0 HA VAL A 72 3.684 4.507 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 72 2.244 7.193 -1.800 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.907 6.189 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.737 5.292 -1.526 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.765 4.647 -0.225 1.00 0.00 H new ATOM 0 HG21 VAL A 72 3.016 7.362 0.531 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.960 5.868 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 72 4.378 7.322 -0.614 1.00 0.00 H new ATOM 1036 N GLU A 73 2.196 6.058 -4.348 1.00 0.00 N ATOM 1037 CA GLU A 73 1.313 5.862 -5.492 1.00 0.00 C ATOM 1038 C GLU A 73 1.755 4.661 -6.322 1.00 0.00 C ATOM 1039 O GLU A 73 0.930 3.953 -6.898 1.00 0.00 O ATOM 1040 CB GLU A 73 1.287 7.118 -6.365 1.00 0.00 C ATOM 1041 CG GLU A 73 2.461 7.216 -7.325 1.00 0.00 C ATOM 1042 CD GLU A 73 2.228 6.447 -8.612 1.00 0.00 C ATOM 1043 OE1 GLU A 73 1.505 6.962 -9.488 1.00 0.00 O ATOM 1044 OE2 GLU A 73 2.771 5.329 -8.740 1.00 0.00 O ATOM 0 H GLU A 73 2.617 6.986 -4.294 1.00 0.00 H new ATOM 0 HA GLU A 73 0.309 5.670 -5.114 1.00 0.00 H new ATOM 0 HB2 GLU A 73 0.359 7.134 -6.936 1.00 0.00 H new ATOM 0 HB3 GLU A 73 1.280 7.998 -5.721 1.00 0.00 H new ATOM 0 HG2 GLU A 73 2.646 8.264 -7.561 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.358 6.836 -6.836 1.00 0.00 H new ATOM 1051 N LYS A 74 3.064 4.439 -6.378 1.00 0.00 N ATOM 1052 CA LYS A 74 3.618 3.323 -7.137 1.00 0.00 C ATOM 1053 C LYS A 74 3.448 2.011 -6.379 1.00 0.00 C ATOM 1054 O LYS A 74 3.008 1.010 -6.943 1.00 0.00 O ATOM 1055 CB LYS A 74 5.100 3.565 -7.431 1.00 0.00 C ATOM 1056 CG LYS A 74 5.376 4.897 -8.107 1.00 0.00 C ATOM 1057 CD LYS A 74 5.194 4.806 -9.612 1.00 0.00 C ATOM 1058 CE LYS A 74 6.459 4.311 -10.298 1.00 0.00 C ATOM 1059 NZ LYS A 74 6.240 4.055 -11.748 1.00 0.00 N ATOM 0 H LYS A 74 3.761 5.016 -5.907 1.00 0.00 H new ATOM 0 HA LYS A 74 3.073 3.252 -8.079 1.00 0.00 H new ATOM 0 HB2 LYS A 74 5.660 3.518 -6.497 1.00 0.00 H new ATOM 0 HB3 LYS A 74 5.472 2.761 -8.066 1.00 0.00 H new ATOM 0 HG2 LYS A 74 4.706 5.656 -7.704 1.00 0.00 H new ATOM 0 HG3 LYS A 74 6.393 5.217 -7.881 1.00 0.00 H new ATOM 0 HD2 LYS A 74 4.368 4.132 -9.840 1.00 0.00 H new ATOM 0 HD3 LYS A 74 4.924 5.786 -10.007 1.00 0.00 H new ATOM 0 HE2 LYS A 74 7.251 5.049 -10.175 1.00 0.00 H new ATOM 0 HE3 LYS A 74 6.799 3.395 -9.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 7.125 3.719 -12.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 5.502 3.332 -11.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 5.940 4.935 -12.214 1.00 0.00 H new ATOM 1073 N ALA A 75 3.798 2.024 -5.097 1.00 0.00 N ATOM 1074 CA ALA A 75 3.680 0.836 -4.260 1.00 0.00 C ATOM 1075 C ALA A 75 2.238 0.342 -4.208 1.00 0.00 C ATOM 1076 O ALA A 75 1.985 -0.862 -4.171 1.00 0.00 O ATOM 1077 CB ALA A 75 4.191 1.126 -2.857 1.00 0.00 C ATOM 0 H ALA A 75 4.166 2.844 -4.615 1.00 0.00 H new ATOM 0 HA ALA A 75 4.291 0.049 -4.702 1.00 0.00 H new ATOM 0 HB1 ALA A 75 4.097 0.230 -2.243 1.00 0.00 H new ATOM 0 HB2 ALA A 75 5.238 1.424 -2.906 1.00 0.00 H new ATOM 0 HB3 ALA A 75 3.605 1.932 -2.415 1.00 0.00 H new ATOM 1083 N LYS A 76 1.296 1.278 -4.205 1.00 0.00 N ATOM 1084 CA LYS A 76 -0.121 0.940 -4.159 1.00 0.00 C ATOM 1085 C LYS A 76 -0.552 0.226 -5.436 1.00 0.00 C ATOM 1086 O LYS A 76 -1.134 -0.858 -5.388 1.00 0.00 O ATOM 1087 CB LYS A 76 -0.962 2.202 -3.959 1.00 0.00 C ATOM 1088 CG LYS A 76 -2.422 1.918 -3.645 1.00 0.00 C ATOM 1089 CD LYS A 76 -3.329 3.018 -4.170 1.00 0.00 C ATOM 1090 CE LYS A 76 -4.797 2.658 -4.000 1.00 0.00 C ATOM 1091 NZ LYS A 76 -5.684 3.554 -4.792 1.00 0.00 N ATOM 0 H LYS A 76 1.489 2.279 -4.234 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.281 0.268 -3.316 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -0.532 2.790 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.905 2.813 -4.860 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.711 0.965 -4.087 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.551 1.822 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -3.118 3.948 -3.642 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -3.116 3.194 -5.224 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -4.955 1.625 -4.309 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -5.066 2.720 -2.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -6.676 3.276 -4.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -5.552 4.537 -4.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -5.445 3.476 -5.801 1.00 0.00 H new ATOM 1105 N LYS A 77 -0.262 0.840 -6.578 1.00 0.00 N ATOM 1106 CA LYS A 77 -0.616 0.263 -7.869 1.00 0.00 C ATOM 1107 C LYS A 77 0.009 -1.119 -8.038 1.00 0.00 C ATOM 1108 O LYS A 77 -0.546 -1.981 -8.717 1.00 0.00 O ATOM 1109 CB LYS A 77 -0.160 1.183 -9.005 1.00 0.00 C ATOM 1110 CG LYS A 77 1.331 1.110 -9.284 1.00 0.00 C ATOM 1111 CD LYS A 77 1.647 1.481 -10.724 1.00 0.00 C ATOM 1112 CE LYS A 77 3.116 1.831 -10.899 1.00 0.00 C ATOM 1113 NZ LYS A 77 3.948 0.622 -11.155 1.00 0.00 N ATOM 0 H LYS A 77 0.218 1.738 -6.635 1.00 0.00 H new ATOM 0 HA LYS A 77 -1.700 0.159 -7.907 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -0.704 0.923 -9.913 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -0.425 2.211 -8.758 1.00 0.00 H new ATOM 0 HG2 LYS A 77 1.862 1.782 -8.609 1.00 0.00 H new ATOM 0 HG3 LYS A 77 1.692 0.102 -9.079 1.00 0.00 H new ATOM 0 HD2 LYS A 77 1.389 0.650 -11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.031 2.328 -11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.226 2.530 -11.728 1.00 0.00 H new ATOM 0 HE3 LYS A 77 3.478 2.338 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 4.931 0.811 -10.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 3.576 -0.178 -10.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.919 0.388 -12.168 1.00 0.00 H new ATOM 1127 N GLN A 78 1.165 -1.321 -7.413 1.00 0.00 N ATOM 1128 CA GLN A 78 1.863 -2.597 -7.494 1.00 0.00 C ATOM 1129 C GLN A 78 1.227 -3.626 -6.565 1.00 0.00 C ATOM 1130 O GLN A 78 1.078 -4.795 -6.924 1.00 0.00 O ATOM 1131 CB GLN A 78 3.341 -2.418 -7.141 1.00 0.00 C ATOM 1132 CG GLN A 78 4.125 -1.635 -8.182 1.00 0.00 C ATOM 1133 CD GLN A 78 5.445 -1.114 -7.649 1.00 0.00 C ATOM 1134 OE1 GLN A 78 5.690 0.092 -7.635 1.00 0.00 O ATOM 1135 NE2 GLN A 78 6.305 -2.024 -7.206 1.00 0.00 N ATOM 0 H GLN A 78 1.637 -0.617 -6.845 1.00 0.00 H new ATOM 0 HA GLN A 78 1.783 -2.961 -8.518 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.417 -1.907 -6.181 1.00 0.00 H new ATOM 0 HB3 GLN A 78 3.798 -3.400 -7.017 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.313 -2.273 -9.045 1.00 0.00 H new ATOM 0 HG3 GLN A 78 3.522 -0.797 -8.530 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.061 -3.014 -7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 78 7.210 -1.733 -6.836 1.00 0.00 H new ATOM 1144 N LEU A 79 0.854 -3.184 -5.369 1.00 0.00 N ATOM 1145 CA LEU A 79 0.234 -4.067 -4.387 1.00 0.00 C ATOM 1146 C LEU A 79 -1.086 -4.623 -4.911 1.00 0.00 C ATOM 1147 O LEU A 79 -1.372 -5.812 -4.769 1.00 0.00 O ATOM 1148 CB LEU A 79 -0.001 -3.316 -3.075 1.00 0.00 C ATOM 1149 CG LEU A 79 0.053 -4.160 -1.800 1.00 0.00 C ATOM 1150 CD1 LEU A 79 1.468 -4.198 -1.245 1.00 0.00 C ATOM 1151 CD2 LEU A 79 -0.916 -3.618 -0.760 1.00 0.00 C ATOM 0 H LEU A 79 0.970 -2.220 -5.056 1.00 0.00 H new ATOM 0 HA LEU A 79 0.912 -4.901 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.743 -2.524 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.977 -2.833 -3.126 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.245 -5.179 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.487 -4.803 -0.338 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.138 -4.634 -1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.795 -3.185 -1.012 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.864 -4.231 0.140 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.649 -2.590 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.930 -3.645 -1.159 1.00 0.00 H new ATOM 1163 N LEU A 80 -1.886 -3.755 -5.521 1.00 0.00 N ATOM 1164 CA LEU A 80 -3.177 -4.159 -6.070 1.00 0.00 C ATOM 1165 C LEU A 80 -3.002 -5.235 -7.137 1.00 0.00 C ATOM 1166 O LEU A 80 -3.409 -6.381 -6.951 1.00 0.00 O ATOM 1167 CB LEU A 80 -3.903 -2.950 -6.661 1.00 0.00 C ATOM 1168 CG LEU A 80 -4.817 -2.182 -5.705 1.00 0.00 C ATOM 1169 CD1 LEU A 80 -3.994 -1.365 -4.721 1.00 0.00 C ATOM 1170 CD2 LEU A 80 -5.768 -1.284 -6.484 1.00 0.00 C ATOM 0 H LEU A 80 -1.664 -2.768 -5.648 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.776 -4.573 -5.259 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.156 -2.259 -7.052 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -4.499 -3.288 -7.509 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.409 -2.902 -5.141 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.661 -0.825 -4.049 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.355 -2.030 -4.141 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.375 -0.653 -5.267 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.411 -0.745 -5.788 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -5.193 -0.570 -7.074 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.382 -1.893 -7.148 1.00 0.00 H new ATOM 1182 N HIS A 81 -2.391 -4.856 -8.256 1.00 0.00 N ATOM 1183 CA HIS A 81 -2.158 -5.789 -9.353 1.00 0.00 C ATOM 1184 C HIS A 81 -1.838 -7.183 -8.823 1.00 0.00 C ATOM 1185 O HIS A 81 -2.259 -8.189 -9.395 1.00 0.00 O ATOM 1186 CB HIS A 81 -1.015 -5.292 -10.239 1.00 0.00 C ATOM 1187 CG HIS A 81 -1.034 -5.871 -11.621 1.00 0.00 C ATOM 1188 ND1 HIS A 81 -2.107 -5.740 -12.476 1.00 0.00 N ATOM 1189 CD2 HIS A 81 -0.101 -6.583 -12.294 1.00 0.00 C ATOM 1190 CE1 HIS A 81 -1.835 -6.349 -13.617 1.00 0.00 C ATOM 1191 NE2 HIS A 81 -0.623 -6.869 -13.532 1.00 0.00 N ATOM 0 H HIS A 81 -2.049 -3.910 -8.426 1.00 0.00 H new ATOM 0 HA HIS A 81 -3.070 -5.847 -9.948 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -1.066 -4.205 -10.308 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -0.065 -5.537 -9.764 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.872 -6.872 -11.927 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -2.491 -6.411 -14.473 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -0.152 -7.397 -14.266 1.00 0.00 H new ATOM 1199 N LEU A 82 -1.091 -7.236 -7.725 1.00 0.00 N ATOM 1200 CA LEU A 82 -0.714 -8.507 -7.117 1.00 0.00 C ATOM 1201 C LEU A 82 -1.893 -9.127 -6.375 1.00 0.00 C ATOM 1202 O LEU A 82 -2.295 -10.255 -6.659 1.00 0.00 O ATOM 1203 CB LEU A 82 0.459 -8.307 -6.157 1.00 0.00 C ATOM 1204 CG LEU A 82 1.718 -7.678 -6.756 1.00 0.00 C ATOM 1205 CD1 LEU A 82 2.574 -7.055 -5.664 1.00 0.00 C ATOM 1206 CD2 LEU A 82 2.513 -8.716 -7.533 1.00 0.00 C ATOM 0 H LEU A 82 -0.735 -6.414 -7.238 1.00 0.00 H new ATOM 0 HA LEU A 82 -0.412 -9.187 -7.914 1.00 0.00 H new ATOM 0 HB2 LEU A 82 0.123 -7.681 -5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.727 -9.276 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 82 1.416 -6.890 -7.446 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.465 -6.612 -6.109 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.003 -6.282 -5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.868 -7.824 -4.949 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.405 -8.252 -7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.805 -9.526 -6.864 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.899 -9.116 -8.340 1.00 0.00 H new ATOM 1218 N ALA A 83 -2.446 -8.381 -5.424 1.00 0.00 N ATOM 1219 CA ALA A 83 -3.582 -8.856 -4.643 1.00 0.00 C ATOM 1220 C ALA A 83 -4.691 -9.379 -5.551 1.00 0.00 C ATOM 1221 O ALA A 83 -5.293 -10.415 -5.274 1.00 0.00 O ATOM 1222 CB ALA A 83 -4.110 -7.744 -3.749 1.00 0.00 C ATOM 0 H ALA A 83 -2.126 -7.445 -5.176 1.00 0.00 H new ATOM 0 HA ALA A 83 -3.242 -9.680 -4.016 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -4.958 -8.113 -3.172 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -3.322 -7.419 -3.069 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -4.429 -6.903 -4.364 1.00 0.00 H new ATOM 1228 N GLU A 84 -4.954 -8.654 -6.634 1.00 0.00 N ATOM 1229 CA GLU A 84 -5.992 -9.046 -7.580 1.00 0.00 C ATOM 1230 C GLU A 84 -5.580 -10.295 -8.354 1.00 0.00 C ATOM 1231 O GLU A 84 -6.380 -11.208 -8.550 1.00 0.00 O ATOM 1232 CB GLU A 84 -6.283 -7.903 -8.555 1.00 0.00 C ATOM 1233 CG GLU A 84 -5.050 -7.394 -9.281 1.00 0.00 C ATOM 1234 CD GLU A 84 -4.805 -8.115 -10.592 1.00 0.00 C ATOM 1235 OE1 GLU A 84 -5.362 -9.217 -10.776 1.00 0.00 O ATOM 1236 OE2 GLU A 84 -4.055 -7.577 -11.433 1.00 0.00 O ATOM 0 H GLU A 84 -4.463 -7.794 -6.878 1.00 0.00 H new ATOM 0 HA GLU A 84 -6.896 -9.271 -7.014 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.014 -8.241 -9.290 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.739 -7.078 -8.008 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.161 -6.327 -9.473 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -4.179 -7.513 -8.637 1.00 0.00 H new ATOM 1243 N GLU A 85 -4.323 -10.326 -8.790 1.00 0.00 N ATOM 1244 CA GLU A 85 -3.805 -11.462 -9.543 1.00 0.00 C ATOM 1245 C GLU A 85 -3.875 -12.742 -8.715 1.00 0.00 C ATOM 1246 O GLU A 85 -4.552 -13.700 -9.087 1.00 0.00 O ATOM 1247 CB GLU A 85 -2.362 -11.199 -9.976 1.00 0.00 C ATOM 1248 CG GLU A 85 -2.247 -10.466 -11.302 1.00 0.00 C ATOM 1249 CD GLU A 85 -3.007 -11.156 -12.418 1.00 0.00 C ATOM 1250 OE1 GLU A 85 -3.199 -12.388 -12.332 1.00 0.00 O ATOM 1251 OE2 GLU A 85 -3.411 -10.466 -13.377 1.00 0.00 O ATOM 0 H GLU A 85 -3.647 -9.578 -8.635 1.00 0.00 H new ATOM 0 HA GLU A 85 -4.425 -11.590 -10.430 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.861 -10.616 -9.204 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.835 -12.150 -10.050 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -2.624 -9.450 -11.185 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -1.196 -10.386 -11.579 1.00 0.00 H new ATOM 1258 N LYS A 86 -3.168 -12.750 -7.590 1.00 0.00 N ATOM 1259 CA LYS A 86 -3.148 -13.910 -6.706 1.00 0.00 C ATOM 1260 C LYS A 86 -4.499 -14.618 -6.708 1.00 0.00 C ATOM 1261 O LYS A 86 -4.570 -15.838 -6.853 1.00 0.00 O ATOM 1262 CB LYS A 86 -2.784 -13.485 -5.282 1.00 0.00 C ATOM 1263 CG LYS A 86 -1.291 -13.508 -5.003 1.00 0.00 C ATOM 1264 CD LYS A 86 -0.642 -12.174 -5.331 1.00 0.00 C ATOM 1265 CE LYS A 86 0.700 -12.020 -4.631 1.00 0.00 C ATOM 1266 NZ LYS A 86 1.775 -12.787 -5.319 1.00 0.00 N ATOM 0 H LYS A 86 -2.601 -11.966 -7.268 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.393 -14.605 -7.075 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.163 -12.479 -5.104 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -3.287 -14.145 -4.575 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.120 -13.749 -3.954 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -0.822 -14.296 -5.592 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -0.503 -12.091 -6.409 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.305 -11.362 -5.032 1.00 0.00 H new ATOM 0 HE2 LYS A 86 0.972 -10.965 -4.595 1.00 0.00 H new ATOM 0 HE3 LYS A 86 0.613 -12.362 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 2.674 -12.656 -4.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 1.528 -13.797 -5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 1.876 -12.444 -6.296 1.00 0.00 H new