USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 614 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 27 THR OG1 : rot -65:sc= 0.747 USER MOD Set 1.2: A 31 THR OG1 : rot 89:sc= 0.866 USER MOD Set 2.1: A 19 LYS NZ :NH3+ -123:sc= 0.816 (180deg=0) USER MOD Set 2.2: A 37 GLN : amide:sc= 0.705 K(o=1.5,f=-0.8) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= -0.113 X(o=-0.11,f=-0.54) USER MOD Single : A 29 HIS : no HD1:sc= -0.59 X(o=-0.59,f=-0.27) USER MOD Single : A 38 TYR OH : rot -41:sc= -4.14! USER MOD Single : A 43 SER OG : rot 180:sc= -3.38! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -150:sc= -1.58! USER MOD Single : A 67 ASN :FLIP amide:sc= -15.3! C(o=-16!,f=-15!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 165:sc= 0.679 (180deg=0.42!) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -5.79! C(o=-5.8!,f=-16!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -5.95! C(o=-5.9!,f=-5.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -1.31 K(o=-1.3,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.325 0.307 2.610 1.00 0.00 N ATOM 216 CA CYS A 14 11.969 1.513 3.410 1.00 0.00 C ATOM 217 C CYS A 14 11.183 1.074 4.653 1.00 0.00 C ATOM 218 O CYS A 14 9.983 0.890 4.607 1.00 0.00 O ATOM 219 CB CYS A 14 11.091 2.363 2.484 1.00 0.00 C ATOM 220 SG CYS A 14 11.862 2.526 0.846 1.00 0.00 S ATOM 0 HA CYS A 14 12.841 2.071 3.751 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.107 1.905 2.385 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.941 3.350 2.921 1.00 0.00 H new ATOM 225 N THR A 15 11.856 0.877 5.758 1.00 0.00 N ATOM 226 CA THR A 15 11.153 0.418 6.993 1.00 0.00 C ATOM 227 C THR A 15 10.637 1.598 7.825 1.00 0.00 C ATOM 228 O THR A 15 9.937 1.411 8.800 1.00 0.00 O ATOM 229 CB THR A 15 12.205 -0.367 7.772 1.00 0.00 C ATOM 230 OG1 THR A 15 11.567 -1.155 8.766 1.00 0.00 O ATOM 231 CG2 THR A 15 13.176 0.605 8.434 1.00 0.00 C ATOM 0 H THR A 15 12.862 1.014 5.858 1.00 0.00 H new ATOM 0 HA THR A 15 10.275 -0.182 6.752 1.00 0.00 H new ATOM 0 HB THR A 15 12.753 -1.018 7.091 1.00 0.00 H new ATOM 0 HG1 THR A 15 12.242 -1.661 9.266 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.928 0.046 8.991 1.00 0.00 H new ATOM 0 HG22 THR A 15 13.665 1.208 7.669 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.630 1.257 9.116 1.00 0.00 H new ATOM 239 N GLY A 16 10.970 2.807 7.463 1.00 0.00 N ATOM 240 CA GLY A 16 10.484 3.971 8.251 1.00 0.00 C ATOM 241 C GLY A 16 8.957 4.004 8.222 1.00 0.00 C ATOM 242 O GLY A 16 8.297 3.020 8.492 1.00 0.00 O ATOM 0 H GLY A 16 11.555 3.037 6.659 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.837 3.900 9.280 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.886 4.896 7.839 1.00 0.00 H new ATOM 246 N LYS A 17 8.389 5.130 7.900 1.00 0.00 N ATOM 247 CA LYS A 17 6.901 5.230 7.856 1.00 0.00 C ATOM 248 C LYS A 17 6.451 5.741 6.486 1.00 0.00 C ATOM 249 O LYS A 17 7.264 6.027 5.632 1.00 0.00 O ATOM 250 CB LYS A 17 6.561 6.240 8.946 1.00 0.00 C ATOM 251 CG LYS A 17 5.479 5.665 9.859 1.00 0.00 C ATOM 252 CD LYS A 17 4.361 6.694 10.039 1.00 0.00 C ATOM 253 CE LYS A 17 3.700 6.977 8.687 1.00 0.00 C ATOM 254 NZ LYS A 17 2.612 7.948 8.987 1.00 0.00 N ATOM 0 H LYS A 17 8.889 5.987 7.665 1.00 0.00 H new ATOM 0 HA LYS A 17 6.406 4.271 8.012 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.452 6.477 9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.215 7.171 8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.077 4.747 9.430 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.906 5.404 10.827 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.620 6.321 10.746 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.765 7.616 10.457 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.415 7.392 7.977 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.303 6.064 8.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.112 8.191 8.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.943 7.523 9.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.020 8.809 9.403 1.00 0.00 H new ATOM 268 N PHE A 18 5.169 5.852 6.257 1.00 0.00 N ATOM 269 CA PHE A 18 4.706 6.343 4.928 1.00 0.00 C ATOM 270 C PHE A 18 3.592 7.378 5.067 1.00 0.00 C ATOM 271 O PHE A 18 2.729 7.276 5.917 1.00 0.00 O ATOM 272 CB PHE A 18 4.190 5.107 4.213 1.00 0.00 C ATOM 273 CG PHE A 18 5.357 4.371 3.619 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.144 3.560 4.436 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.662 4.509 2.260 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.240 2.881 3.902 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.762 3.831 1.722 1.00 0.00 C ATOM 278 CZ PHE A 18 7.550 3.016 2.545 1.00 0.00 C ATOM 0 H PHE A 18 4.431 5.627 6.924 1.00 0.00 H new ATOM 0 HA PHE A 18 5.511 6.837 4.385 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.653 4.464 4.910 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.484 5.389 3.432 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.905 3.457 5.484 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.051 5.137 1.629 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.848 2.252 4.536 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.003 3.936 0.674 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.398 2.491 2.131 1.00 0.00 H new ATOM 288 N LYS A 19 3.602 8.369 4.219 1.00 0.00 N ATOM 289 CA LYS A 19 2.546 9.412 4.264 1.00 0.00 C ATOM 290 C LYS A 19 1.702 9.317 2.995 1.00 0.00 C ATOM 291 O LYS A 19 2.197 9.494 1.903 1.00 0.00 O ATOM 292 CB LYS A 19 3.306 10.737 4.300 1.00 0.00 C ATOM 293 CG LYS A 19 2.310 11.895 4.387 1.00 0.00 C ATOM 294 CD LYS A 19 3.062 13.224 4.286 1.00 0.00 C ATOM 295 CE LYS A 19 3.555 13.424 2.851 1.00 0.00 C ATOM 296 NZ LYS A 19 4.338 14.690 2.887 1.00 0.00 N ATOM 0 H LYS A 19 4.304 8.500 3.491 1.00 0.00 H new ATOM 0 HA LYS A 19 1.877 9.307 5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.980 10.758 5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.922 10.839 3.407 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.576 11.818 3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.761 11.846 5.327 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.408 14.047 4.575 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.906 13.230 4.976 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.172 12.587 2.525 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.721 13.495 2.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.943 15.362 2.199 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.289 15.101 3.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.330 14.492 2.646 1.00 0.00 H new ATOM 310 N VAL A 20 0.440 9.034 3.112 1.00 0.00 N ATOM 311 CA VAL A 20 -0.390 8.929 1.883 1.00 0.00 C ATOM 312 C VAL A 20 -0.349 10.255 1.125 1.00 0.00 C ATOM 313 O VAL A 20 -0.666 11.302 1.653 1.00 0.00 O ATOM 314 CB VAL A 20 -1.806 8.622 2.372 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.735 8.443 1.169 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.792 7.334 3.198 1.00 0.00 C ATOM 0 H VAL A 20 -0.050 8.872 3.992 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.033 8.156 1.202 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.163 9.447 2.988 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.744 8.224 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.746 9.359 0.578 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.377 7.618 0.553 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.801 7.115 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.434 6.510 2.581 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.131 7.459 4.055 1.00 0.00 H new ATOM 326 N VAL A 21 0.034 10.204 -0.115 1.00 0.00 N ATOM 327 CA VAL A 21 0.102 11.432 -0.942 1.00 0.00 C ATOM 328 C VAL A 21 -1.174 11.500 -1.769 1.00 0.00 C ATOM 329 O VAL A 21 -1.681 12.559 -2.082 1.00 0.00 O ATOM 330 CB VAL A 21 1.344 11.227 -1.816 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.434 12.326 -2.873 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.592 11.275 -0.931 1.00 0.00 C ATOM 0 H VAL A 21 0.307 9.348 -0.598 1.00 0.00 H new ATOM 0 HA VAL A 21 0.177 12.362 -0.379 1.00 0.00 H new ATOM 0 HB VAL A 21 1.274 10.260 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.321 12.169 -3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.546 12.297 -3.504 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.500 13.297 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.480 11.130 -1.546 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.649 12.244 -0.434 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.537 10.486 -0.181 1.00 0.00 H new ATOM 342 N LYS A 22 -1.716 10.355 -2.083 1.00 0.00 N ATOM 343 CA LYS A 22 -2.992 10.310 -2.843 1.00 0.00 C ATOM 344 C LYS A 22 -3.770 9.054 -2.475 1.00 0.00 C ATOM 345 O LYS A 22 -3.212 7.972 -2.351 1.00 0.00 O ATOM 346 CB LYS A 22 -2.634 10.282 -4.318 1.00 0.00 C ATOM 347 CG LYS A 22 -3.760 10.954 -5.088 1.00 0.00 C ATOM 348 CD LYS A 22 -3.212 12.181 -5.811 1.00 0.00 C ATOM 349 CE LYS A 22 -4.059 12.466 -7.054 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.125 13.118 -8.015 1.00 0.00 N ATOM 0 H LYS A 22 -1.325 9.444 -1.843 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.613 11.175 -2.611 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.691 10.801 -4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.500 9.255 -4.658 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.192 10.257 -5.806 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.559 11.246 -4.406 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.224 13.044 -5.145 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.174 12.014 -6.097 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.474 11.547 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.900 13.117 -6.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -3.633 13.344 -8.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.751 13.993 -7.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.338 12.472 -8.227 1.00 0.00 H new ATOM 364 N GLU A 23 -5.054 9.200 -2.309 1.00 0.00 N ATOM 365 CA GLU A 23 -5.909 8.037 -1.940 1.00 0.00 C ATOM 366 C GLU A 23 -5.746 6.917 -2.961 1.00 0.00 C ATOM 367 O GLU A 23 -5.421 7.151 -4.108 1.00 0.00 O ATOM 368 CB GLU A 23 -7.339 8.576 -1.958 1.00 0.00 C ATOM 369 CG GLU A 23 -8.166 7.865 -0.885 1.00 0.00 C ATOM 370 CD GLU A 23 -9.038 8.886 -0.152 1.00 0.00 C ATOM 371 OE1 GLU A 23 -8.625 10.030 -0.059 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.103 8.506 0.306 1.00 0.00 O ATOM 0 H GLU A 23 -5.553 10.083 -2.414 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.643 7.620 -0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.336 9.651 -1.777 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.786 8.419 -2.940 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.792 7.098 -1.342 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.507 7.360 -0.179 1.00 0.00 H new ATOM 379 N ILE A 24 -5.967 5.701 -2.554 1.00 0.00 N ATOM 380 CA ILE A 24 -5.819 4.573 -3.507 1.00 0.00 C ATOM 381 C ILE A 24 -6.580 4.873 -4.799 1.00 0.00 C ATOM 382 O ILE A 24 -7.737 5.243 -4.785 1.00 0.00 O ATOM 383 CB ILE A 24 -6.395 3.345 -2.783 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.248 2.558 -2.154 1.00 0.00 C ATOM 385 CG2 ILE A 24 -7.131 2.432 -3.773 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.237 2.180 -3.240 1.00 0.00 C ATOM 0 H ILE A 24 -6.242 5.441 -1.607 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.781 4.405 -3.793 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.096 3.683 -2.020 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.763 3.155 -1.382 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.631 1.660 -1.669 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.532 1.568 -3.243 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.948 2.983 -4.238 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.436 2.095 -4.542 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.417 1.618 -2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.728 1.567 -3.996 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.846 3.085 -3.704 1.00 0.00 H new ATOM 398 N ALA A 25 -5.938 4.688 -5.911 1.00 0.00 N ATOM 399 CA ALA A 25 -6.608 4.928 -7.211 1.00 0.00 C ATOM 400 C ALA A 25 -6.860 3.579 -7.876 1.00 0.00 C ATOM 401 O ALA A 25 -6.402 2.564 -7.400 1.00 0.00 O ATOM 402 CB ALA A 25 -5.617 5.760 -8.024 1.00 0.00 C ATOM 0 H ALA A 25 -4.968 4.378 -5.976 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.565 5.442 -7.118 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.043 5.979 -9.003 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.411 6.694 -7.501 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.689 5.202 -8.149 1.00 0.00 H new ATOM 408 N GLU A 26 -7.579 3.543 -8.958 1.00 0.00 N ATOM 409 CA GLU A 26 -7.836 2.236 -9.613 1.00 0.00 C ATOM 410 C GLU A 26 -7.140 2.177 -10.971 1.00 0.00 C ATOM 411 O GLU A 26 -7.252 3.077 -11.780 1.00 0.00 O ATOM 412 CB GLU A 26 -9.353 2.165 -9.775 1.00 0.00 C ATOM 413 CG GLU A 26 -9.824 3.297 -10.686 1.00 0.00 C ATOM 414 CD GLU A 26 -11.340 3.209 -10.869 1.00 0.00 C ATOM 415 OE1 GLU A 26 -11.853 2.102 -10.875 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.962 4.250 -11.001 1.00 0.00 O ATOM 0 H GLU A 26 -7.997 4.354 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.452 1.399 -9.030 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.639 1.202 -10.197 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.837 2.243 -8.801 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.555 4.261 -10.254 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.326 3.230 -11.653 1.00 0.00 H new ATOM 423 N THR A 27 -6.418 1.122 -11.223 1.00 0.00 N ATOM 424 CA THR A 27 -5.710 1.004 -12.529 1.00 0.00 C ATOM 425 C THR A 27 -6.703 0.663 -13.642 1.00 0.00 C ATOM 426 O THR A 27 -6.335 0.515 -14.790 1.00 0.00 O ATOM 427 CB THR A 27 -4.708 -0.133 -12.339 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.399 -1.374 -12.349 1.00 0.00 O ATOM 429 CG2 THR A 27 -3.982 0.039 -11.004 1.00 0.00 C ATOM 0 H THR A 27 -6.287 0.338 -10.584 1.00 0.00 H new ATOM 0 HA THR A 27 -5.220 1.934 -12.815 1.00 0.00 H new ATOM 0 HB THR A 27 -3.979 -0.115 -13.149 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.996 -1.422 -11.573 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.268 -0.774 -10.871 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.453 0.992 -10.998 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.707 0.021 -10.191 1.00 0.00 H new ATOM 437 N GLN A 28 -7.961 0.539 -13.311 1.00 0.00 N ATOM 438 CA GLN A 28 -8.982 0.209 -14.350 1.00 0.00 C ATOM 439 C GLN A 28 -8.800 -1.234 -14.828 1.00 0.00 C ATOM 440 O GLN A 28 -9.392 -1.654 -15.803 1.00 0.00 O ATOM 441 CB GLN A 28 -8.732 1.189 -15.502 1.00 0.00 C ATOM 442 CG GLN A 28 -8.362 2.568 -14.946 1.00 0.00 C ATOM 443 CD GLN A 28 -9.230 3.637 -15.611 1.00 0.00 C ATOM 444 OE1 GLN A 28 -9.531 3.550 -16.785 1.00 0.00 O ATOM 445 NE2 GLN A 28 -9.650 4.652 -14.904 1.00 0.00 N ATOM 0 H GLN A 28 -8.327 0.652 -12.365 1.00 0.00 H new ATOM 0 HA GLN A 28 -9.997 0.296 -13.963 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.929 0.817 -16.139 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -9.623 1.266 -16.125 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.507 2.587 -13.866 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.308 2.775 -15.130 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -9.398 4.726 -13.918 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -10.230 5.370 -15.338 1.00 0.00 H new ATOM 454 N HIS A 29 -7.985 -1.996 -14.151 1.00 0.00 N ATOM 455 CA HIS A 29 -7.767 -3.411 -14.569 1.00 0.00 C ATOM 456 C HIS A 29 -7.973 -4.353 -13.381 1.00 0.00 C ATOM 457 O HIS A 29 -7.648 -5.522 -13.439 1.00 0.00 O ATOM 458 CB HIS A 29 -6.316 -3.462 -15.050 1.00 0.00 C ATOM 459 CG HIS A 29 -6.286 -3.490 -16.553 1.00 0.00 C ATOM 460 ND1 HIS A 29 -5.120 -3.282 -17.273 1.00 0.00 N ATOM 461 CD2 HIS A 29 -7.270 -3.701 -17.487 1.00 0.00 C ATOM 462 CE1 HIS A 29 -5.429 -3.371 -18.580 1.00 0.00 C ATOM 463 NE2 HIS A 29 -6.727 -3.626 -18.766 1.00 0.00 N ATOM 0 H HIS A 29 -7.461 -1.701 -13.327 1.00 0.00 H new ATOM 0 HA HIS A 29 -8.465 -3.724 -15.345 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -5.769 -2.595 -14.681 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.820 -4.346 -14.649 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.308 -3.896 -17.263 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.714 -3.251 -19.381 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -7.215 -3.741 -19.654 1.00 0.00 H new ATOM 471 N GLY A 30 -8.512 -3.853 -12.303 1.00 0.00 N ATOM 472 CA GLY A 30 -8.739 -4.720 -11.112 1.00 0.00 C ATOM 473 C GLY A 30 -7.781 -4.311 -9.993 1.00 0.00 C ATOM 474 O GLY A 30 -8.002 -4.603 -8.835 1.00 0.00 O ATOM 0 H GLY A 30 -8.805 -2.882 -12.195 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.771 -4.628 -10.773 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.582 -5.766 -11.375 1.00 0.00 H new ATOM 478 N THR A 31 -6.716 -3.636 -10.329 1.00 0.00 N ATOM 479 CA THR A 31 -5.743 -3.207 -9.283 1.00 0.00 C ATOM 480 C THR A 31 -6.086 -1.809 -8.776 1.00 0.00 C ATOM 481 O THR A 31 -7.081 -1.221 -9.149 1.00 0.00 O ATOM 482 CB THR A 31 -4.380 -3.182 -9.979 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.560 -3.322 -11.382 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.521 -4.333 -9.456 1.00 0.00 C ATOM 0 H THR A 31 -6.477 -3.363 -11.282 1.00 0.00 H new ATOM 0 HA THR A 31 -5.757 -3.879 -8.425 1.00 0.00 H new ATOM 0 HB THR A 31 -3.883 -2.234 -9.771 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.681 -2.437 -11.786 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.550 -4.316 -9.951 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.382 -4.224 -8.380 1.00 0.00 H new ATOM 0 HG23 THR A 31 -4.018 -5.281 -9.663 1.00 0.00 H new ATOM 492 N ILE A 32 -5.247 -1.271 -7.943 1.00 0.00 N ATOM 493 CA ILE A 32 -5.474 0.097 -7.412 1.00 0.00 C ATOM 494 C ILE A 32 -4.119 0.736 -7.169 1.00 0.00 C ATOM 495 O ILE A 32 -3.122 0.057 -7.083 1.00 0.00 O ATOM 496 CB ILE A 32 -6.253 -0.025 -6.091 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.431 -1.490 -5.683 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.628 0.620 -6.267 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.583 -1.583 -4.163 1.00 0.00 C ATOM 0 H ILE A 32 -4.401 -1.727 -7.602 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.044 0.709 -8.111 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.689 0.480 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.309 -1.911 -6.173 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.572 -2.076 -6.010 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -8.190 0.539 -5.336 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.506 1.671 -6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -8.170 0.110 -7.063 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.710 -2.626 -3.873 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.692 -1.179 -3.683 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.456 -1.011 -3.849 1.00 0.00 H new ATOM 511 N VAL A 33 -4.058 2.025 -7.083 1.00 0.00 N ATOM 512 CA VAL A 33 -2.736 2.671 -6.883 1.00 0.00 C ATOM 513 C VAL A 33 -2.719 3.549 -5.637 1.00 0.00 C ATOM 514 O VAL A 33 -3.592 4.365 -5.423 1.00 0.00 O ATOM 515 CB VAL A 33 -2.557 3.508 -8.137 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.239 4.272 -8.056 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.553 2.581 -9.354 1.00 0.00 C ATOM 0 H VAL A 33 -4.855 2.658 -7.141 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.937 1.945 -6.733 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.374 4.224 -8.228 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.111 4.873 -8.956 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.250 4.924 -7.183 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.413 3.565 -7.971 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.425 3.172 -10.261 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.733 1.869 -9.266 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.499 2.041 -9.403 1.00 0.00 H new ATOM 527 N ILE A 34 -1.716 3.394 -4.816 1.00 0.00 N ATOM 528 CA ILE A 34 -1.623 4.218 -3.592 1.00 0.00 C ATOM 529 C ILE A 34 -0.400 5.124 -3.673 1.00 0.00 C ATOM 530 O ILE A 34 0.725 4.673 -3.672 1.00 0.00 O ATOM 531 CB ILE A 34 -1.523 3.201 -2.448 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.303 3.747 -1.268 1.00 0.00 C ATOM 533 CG2 ILE A 34 -0.069 2.954 -2.027 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.540 4.914 -0.654 1.00 0.00 C ATOM 0 H ILE A 34 -0.956 2.726 -4.947 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.476 4.881 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.930 2.248 -2.787 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.291 4.074 -1.591 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.454 2.965 -0.524 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -0.044 2.228 -1.215 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.495 2.568 -2.876 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.376 3.890 -1.691 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.099 5.308 0.195 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.562 4.572 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.413 5.698 -1.400 1.00 0.00 H new ATOM 546 N ARG A 35 -0.608 6.401 -3.736 1.00 0.00 N ATOM 547 CA ARG A 35 0.555 7.321 -3.815 1.00 0.00 C ATOM 548 C ARG A 35 0.886 7.799 -2.413 1.00 0.00 C ATOM 549 O ARG A 35 0.039 8.298 -1.699 1.00 0.00 O ATOM 550 CB ARG A 35 0.096 8.470 -4.705 1.00 0.00 C ATOM 551 CG ARG A 35 1.051 9.656 -4.567 1.00 0.00 C ATOM 552 CD ARG A 35 1.397 10.195 -5.958 1.00 0.00 C ATOM 553 NE ARG A 35 2.830 9.846 -6.165 1.00 0.00 N ATOM 554 CZ ARG A 35 3.424 10.156 -7.287 1.00 0.00 C ATOM 555 NH1 ARG A 35 2.766 10.775 -8.230 1.00 0.00 N ATOM 556 NH2 ARG A 35 4.679 9.847 -7.465 1.00 0.00 N ATOM 0 H ARG A 35 -1.525 6.849 -3.736 1.00 0.00 H new ATOM 0 HA ARG A 35 1.453 6.855 -4.222 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.058 8.143 -5.744 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.914 8.773 -4.429 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.591 10.440 -3.965 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.959 9.348 -4.048 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.767 9.743 -6.724 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.242 11.273 -6.013 1.00 0.00 H new ATOM 0 HE ARG A 35 3.348 9.365 -5.430 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.785 11.018 -8.092 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.233 11.015 -9.104 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.195 9.364 -6.729 1.00 0.00 H new ATOM 0 HH22 ARG A 35 5.144 10.088 -8.340 1.00 0.00 H new ATOM 570 N VAL A 36 2.103 7.632 -1.998 1.00 0.00 N ATOM 571 CA VAL A 36 2.472 8.052 -0.641 1.00 0.00 C ATOM 572 C VAL A 36 3.920 8.447 -0.639 1.00 0.00 C ATOM 573 O VAL A 36 4.683 8.076 -1.499 1.00 0.00 O ATOM 574 CB VAL A 36 2.220 6.835 0.254 1.00 0.00 C ATOM 575 CG1 VAL A 36 0.937 6.129 -0.179 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.395 5.857 0.148 1.00 0.00 C ATOM 0 H VAL A 36 2.857 7.220 -2.548 1.00 0.00 H new ATOM 0 HA VAL A 36 1.898 8.908 -0.286 1.00 0.00 H new ATOM 0 HB VAL A 36 2.120 7.172 1.286 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.764 5.264 0.462 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.096 6.818 -0.094 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.034 5.800 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.209 4.994 0.787 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.502 5.527 -0.885 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.312 6.354 0.467 1.00 0.00 H new ATOM 586 N GLN A 37 4.298 9.204 0.308 1.00 0.00 N ATOM 587 CA GLN A 37 5.687 9.644 0.365 1.00 0.00 C ATOM 588 C GLN A 37 6.397 8.840 1.442 1.00 0.00 C ATOM 589 O GLN A 37 5.959 8.778 2.574 1.00 0.00 O ATOM 590 CB GLN A 37 5.540 11.103 0.735 1.00 0.00 C ATOM 591 CG GLN A 37 6.901 11.797 0.697 1.00 0.00 C ATOM 592 CD GLN A 37 6.710 13.309 0.842 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.959 13.866 1.893 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.273 13.999 -0.175 1.00 0.00 N ATOM 0 H GLN A 37 3.699 9.545 1.060 1.00 0.00 H new ATOM 0 HA GLN A 37 6.268 9.510 -0.547 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.854 11.594 0.044 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.106 11.191 1.731 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.535 11.422 1.500 1.00 0.00 H new ATOM 0 HG3 GLN A 37 7.409 11.573 -0.241 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.064 13.531 -1.057 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.140 15.007 -0.088 1.00 0.00 H new ATOM 603 N TYR A 38 7.464 8.193 1.099 1.00 0.00 N ATOM 604 CA TYR A 38 8.161 7.362 2.115 1.00 0.00 C ATOM 605 C TYR A 38 8.635 8.229 3.283 1.00 0.00 C ATOM 606 O TYR A 38 9.382 9.167 3.117 1.00 0.00 O ATOM 607 CB TYR A 38 9.350 6.736 1.385 1.00 0.00 C ATOM 608 CG TYR A 38 10.287 6.098 2.387 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.817 5.714 3.651 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.630 5.896 2.052 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.692 5.129 4.575 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.505 5.313 2.976 1.00 0.00 C ATOM 613 CZ TYR A 38 12.036 4.929 4.238 1.00 0.00 C ATOM 614 OH TYR A 38 12.898 4.354 5.149 1.00 0.00 O ATOM 0 H TYR A 38 7.884 8.200 0.170 1.00 0.00 H new ATOM 0 HA TYR A 38 7.504 6.601 2.537 1.00 0.00 H new ATOM 0 HB2 TYR A 38 8.999 5.988 0.674 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.879 7.498 0.812 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.781 5.869 3.912 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.993 6.191 1.078 1.00 0.00 H new ATOM 0 HE1 TYR A 38 10.330 4.832 5.548 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.542 5.159 2.715 1.00 0.00 H new ATOM 0 HH TYR A 38 12.718 4.714 6.042 1.00 0.00 H new ATOM 624 N GLU A 39 8.205 7.908 4.466 1.00 0.00 N ATOM 625 CA GLU A 39 8.628 8.690 5.659 1.00 0.00 C ATOM 626 C GLU A 39 9.623 7.860 6.468 1.00 0.00 C ATOM 627 O GLU A 39 9.600 6.646 6.433 1.00 0.00 O ATOM 628 CB GLU A 39 7.347 8.931 6.458 1.00 0.00 C ATOM 629 CG GLU A 39 6.654 10.194 5.943 1.00 0.00 C ATOM 630 CD GLU A 39 7.519 11.416 6.260 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.552 11.809 7.415 1.00 0.00 O ATOM 632 OE2 GLU A 39 8.132 11.937 5.344 1.00 0.00 O ATOM 0 H GLU A 39 7.573 7.131 4.661 1.00 0.00 H new ATOM 0 HA GLU A 39 9.114 9.631 5.401 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.680 8.074 6.364 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.581 9.038 7.517 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.491 10.120 4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.674 10.299 6.407 1.00 0.00 H new ATOM 639 N GLY A 40 10.507 8.492 7.186 1.00 0.00 N ATOM 640 CA GLY A 40 11.499 7.711 7.972 1.00 0.00 C ATOM 641 C GLY A 40 12.858 7.791 7.291 1.00 0.00 C ATOM 642 O GLY A 40 13.215 8.791 6.701 1.00 0.00 O ATOM 0 H GLY A 40 10.586 9.506 7.262 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.565 8.102 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.180 6.672 8.051 1.00 0.00 H new ATOM 646 N ASP A 41 13.615 6.742 7.366 1.00 0.00 N ATOM 647 CA ASP A 41 14.959 6.738 6.720 1.00 0.00 C ATOM 648 C ASP A 41 15.125 5.478 5.869 1.00 0.00 C ATOM 649 O ASP A 41 14.911 4.376 6.333 1.00 0.00 O ATOM 650 CB ASP A 41 15.957 6.740 7.879 1.00 0.00 C ATOM 651 CG ASP A 41 17.000 7.836 7.652 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.709 8.760 6.910 1.00 0.00 O ATOM 653 OD2 ASP A 41 18.073 7.732 8.222 1.00 0.00 O ATOM 0 H ASP A 41 13.365 5.879 7.849 1.00 0.00 H new ATOM 0 HA ASP A 41 15.105 7.592 6.059 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.436 6.909 8.821 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.445 5.768 7.954 1.00 0.00 H new ATOM 658 N GLY A 42 15.500 5.624 4.626 1.00 0.00 N ATOM 659 CA GLY A 42 15.667 4.417 3.767 1.00 0.00 C ATOM 660 C GLY A 42 16.318 4.785 2.430 1.00 0.00 C ATOM 661 O GLY A 42 17.003 3.977 1.833 1.00 0.00 O ATOM 0 H GLY A 42 15.696 6.516 4.173 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.281 3.679 4.284 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.696 3.955 3.589 1.00 0.00 H new ATOM 665 N SER A 43 16.118 5.981 1.939 1.00 0.00 N ATOM 666 CA SER A 43 16.742 6.339 0.637 1.00 0.00 C ATOM 667 C SER A 43 16.285 5.311 -0.415 1.00 0.00 C ATOM 668 O SER A 43 15.239 4.727 -0.259 1.00 0.00 O ATOM 669 CB SER A 43 18.234 6.245 0.930 1.00 0.00 C ATOM 670 OG SER A 43 18.934 7.231 0.182 1.00 0.00 O ATOM 0 H SER A 43 15.558 6.713 2.377 1.00 0.00 H new ATOM 0 HA SER A 43 16.475 7.321 0.247 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.415 6.387 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.602 5.252 0.674 1.00 0.00 H new ATOM 0 HG SER A 43 19.893 7.168 0.375 1.00 0.00 H new ATOM 676 N PRO A 44 17.059 5.100 -1.449 1.00 0.00 N ATOM 677 CA PRO A 44 16.658 4.105 -2.469 1.00 0.00 C ATOM 678 C PRO A 44 16.331 2.766 -1.790 1.00 0.00 C ATOM 679 O PRO A 44 17.184 1.917 -1.630 1.00 0.00 O ATOM 680 CB PRO A 44 17.885 3.986 -3.369 1.00 0.00 C ATOM 681 CG PRO A 44 18.641 5.259 -3.168 1.00 0.00 C ATOM 682 CD PRO A 44 18.333 5.741 -1.776 1.00 0.00 C ATOM 0 HA PRO A 44 15.767 4.391 -3.028 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.490 3.121 -3.098 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.597 3.859 -4.413 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.712 5.095 -3.291 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.346 6.003 -3.908 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.115 5.455 -1.073 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.253 6.827 -1.739 1.00 0.00 H new ATOM 690 N CYS A 45 15.097 2.572 -1.394 1.00 0.00 N ATOM 691 CA CYS A 45 14.712 1.294 -0.731 1.00 0.00 C ATOM 692 C CYS A 45 13.313 0.857 -1.173 1.00 0.00 C ATOM 693 O CYS A 45 12.635 1.552 -1.901 1.00 0.00 O ATOM 694 CB CYS A 45 14.749 1.564 0.778 1.00 0.00 C ATOM 695 SG CYS A 45 13.780 3.036 1.208 1.00 0.00 S ATOM 0 H CYS A 45 14.340 3.247 -1.503 1.00 0.00 H new ATOM 0 HA CYS A 45 15.393 0.487 -1.001 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.358 0.699 1.314 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.782 1.699 1.100 1.00 0.00 H new ATOM 700 N LYS A 46 12.889 -0.305 -0.754 1.00 0.00 N ATOM 701 CA LYS A 46 11.549 -0.808 -1.175 1.00 0.00 C ATOM 702 C LYS A 46 10.443 -0.333 -0.239 1.00 0.00 C ATOM 703 O LYS A 46 10.680 0.112 0.861 1.00 0.00 O ATOM 704 CB LYS A 46 11.674 -2.329 -1.122 1.00 0.00 C ATOM 705 CG LYS A 46 11.866 -2.886 -2.530 1.00 0.00 C ATOM 706 CD LYS A 46 12.427 -4.309 -2.450 1.00 0.00 C ATOM 707 CE LYS A 46 11.497 -5.188 -1.610 1.00 0.00 C ATOM 708 NZ LYS A 46 12.406 -6.024 -0.778 1.00 0.00 N ATOM 0 H LYS A 46 13.412 -0.928 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 46 11.278 -0.439 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.518 -2.611 -0.492 1.00 0.00 H new ATOM 0 HB3 LYS A 46 10.781 -2.760 -0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.915 -2.889 -3.063 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.546 -2.248 -3.094 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.529 -4.726 -3.452 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.423 -4.292 -2.008 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.837 -4.583 -0.988 1.00 0.00 H new ATOM 0 HE3 LYS A 46 10.860 -5.807 -2.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.842 -6.655 -0.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.017 -6.594 -1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.995 -5.408 -0.181 1.00 0.00 H new ATOM 722 N ILE A 47 9.228 -0.411 -0.696 1.00 0.00 N ATOM 723 CA ILE A 47 8.089 0.064 0.127 1.00 0.00 C ATOM 724 C ILE A 47 7.292 -1.106 0.710 1.00 0.00 C ATOM 725 O ILE A 47 6.812 -1.956 -0.012 1.00 0.00 O ATOM 726 CB ILE A 47 7.237 0.850 -0.864 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.145 1.785 -1.666 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.192 1.669 -0.106 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.679 2.871 -0.737 1.00 0.00 C ATOM 0 H ILE A 47 8.975 -0.786 -1.610 1.00 0.00 H new ATOM 0 HA ILE A 47 8.413 0.656 0.983 1.00 0.00 H new ATOM 0 HB ILE A 47 6.727 0.163 -1.540 1.00 0.00 H new ATOM 0 HG12 ILE A 47 8.971 1.224 -2.104 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.591 2.233 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.584 2.230 -0.816 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.553 1.000 0.470 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.693 2.362 0.570 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.328 3.543 -1.298 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.845 3.436 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.246 2.411 0.072 1.00 0.00 H new ATOM 741 N PRO A 48 7.166 -1.094 2.009 1.00 0.00 N ATOM 742 CA PRO A 48 6.404 -2.151 2.721 1.00 0.00 C ATOM 743 C PRO A 48 4.936 -2.146 2.288 1.00 0.00 C ATOM 744 O PRO A 48 4.358 -1.113 2.020 1.00 0.00 O ATOM 745 CB PRO A 48 6.511 -1.743 4.186 1.00 0.00 C ATOM 746 CG PRO A 48 7.695 -0.837 4.249 1.00 0.00 C ATOM 747 CD PRO A 48 7.719 -0.109 2.938 1.00 0.00 C ATOM 0 HA PRO A 48 6.787 -3.151 2.519 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.607 -1.235 4.521 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.645 -2.613 4.829 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.611 -0.140 5.083 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.614 -1.404 4.399 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.118 0.800 2.969 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.730 0.187 2.659 1.00 0.00 H new ATOM 755 N PHE A 49 4.335 -3.296 2.225 1.00 0.00 N ATOM 756 CA PHE A 49 2.912 -3.386 1.822 1.00 0.00 C ATOM 757 C PHE A 49 2.296 -4.644 2.432 1.00 0.00 C ATOM 758 O PHE A 49 2.987 -5.604 2.711 1.00 0.00 O ATOM 759 CB PHE A 49 2.966 -3.508 0.310 1.00 0.00 C ATOM 760 CG PHE A 49 1.674 -2.996 -0.292 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.515 -3.784 -0.243 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.631 -1.732 -0.896 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.680 -3.309 -0.797 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.436 -1.260 -1.450 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.720 -2.047 -1.399 1.00 0.00 C ATOM 0 H PHE A 49 4.777 -4.190 2.439 1.00 0.00 H new ATOM 0 HA PHE A 49 2.314 -2.536 2.150 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.810 -2.939 -0.080 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.124 -4.548 0.025 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.544 -4.758 0.222 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.521 -1.122 -0.934 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.572 -3.917 -0.759 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.406 -0.287 -1.918 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.643 -1.680 -1.824 1.00 0.00 H new ATOM 775 N GLU A 50 1.013 -4.662 2.641 1.00 0.00 N ATOM 776 CA GLU A 50 0.394 -5.879 3.231 1.00 0.00 C ATOM 777 C GLU A 50 -1.097 -5.936 2.890 1.00 0.00 C ATOM 778 O GLU A 50 -1.878 -5.094 3.298 1.00 0.00 O ATOM 779 CB GLU A 50 0.631 -5.747 4.738 1.00 0.00 C ATOM 780 CG GLU A 50 -0.388 -6.592 5.504 1.00 0.00 C ATOM 781 CD GLU A 50 -0.057 -6.564 6.997 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.092 -6.317 7.325 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.959 -6.789 7.788 1.00 0.00 O ATOM 0 H GLU A 50 0.371 -3.897 2.432 1.00 0.00 H new ATOM 0 HA GLU A 50 0.823 -6.802 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.642 -6.070 4.985 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.548 -4.702 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.394 -6.207 5.337 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.374 -7.618 5.137 1.00 0.00 H new ATOM 790 N ILE A 51 -1.485 -6.930 2.132 1.00 0.00 N ATOM 791 CA ILE A 51 -2.916 -7.083 1.737 1.00 0.00 C ATOM 792 C ILE A 51 -3.179 -8.531 1.311 1.00 0.00 C ATOM 793 O ILE A 51 -3.371 -8.819 0.146 1.00 0.00 O ATOM 794 CB ILE A 51 -3.106 -6.141 0.546 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.042 -6.430 -0.516 1.00 0.00 C ATOM 796 CG2 ILE A 51 -2.973 -4.694 1.015 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.458 -5.793 -1.845 1.00 0.00 C ATOM 0 H ILE A 51 -0.862 -7.650 1.766 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.600 -6.849 2.553 1.00 0.00 H new ATOM 0 HB ILE A 51 -4.096 -6.298 0.118 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.078 -6.034 -0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.919 -7.506 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -3.108 -4.023 0.167 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -3.732 -4.484 1.768 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -1.983 -4.540 1.445 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -1.700 -5.999 -2.600 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -3.413 -6.210 -2.165 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.558 -4.715 -1.716 1.00 0.00 H new ATOM 970 N GLY A 61 -5.368 -10.254 -1.155 1.00 0.00 N ATOM 971 CA GLY A 61 -5.090 -9.177 -2.151 1.00 0.00 C ATOM 972 C GLY A 61 -3.738 -9.442 -2.818 1.00 0.00 C ATOM 973 O GLY A 61 -2.980 -10.286 -2.385 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.879 -9.148 -2.902 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.081 -8.204 -1.659 1.00 0.00 H new ATOM 977 N ARG A 62 -3.429 -8.731 -3.868 1.00 0.00 N ATOM 978 CA ARG A 62 -2.124 -8.950 -4.554 1.00 0.00 C ATOM 979 C ARG A 62 -1.420 -7.624 -4.796 1.00 0.00 C ATOM 980 O ARG A 62 -2.001 -6.564 -4.682 1.00 0.00 O ATOM 981 CB ARG A 62 -2.476 -9.595 -5.890 1.00 0.00 C ATOM 982 CG ARG A 62 -1.615 -10.841 -6.094 1.00 0.00 C ATOM 983 CD ARG A 62 -0.488 -10.526 -7.080 1.00 0.00 C ATOM 984 NE ARG A 62 -0.929 -11.121 -8.372 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.075 -11.277 -9.349 1.00 0.00 C ATOM 986 NH1 ARG A 62 1.171 -10.915 -9.196 1.00 0.00 N ATOM 987 NH2 ARG A 62 -0.466 -11.797 -10.480 1.00 0.00 N ATOM 0 H ARG A 62 -4.022 -8.010 -4.279 1.00 0.00 H new ATOM 0 HA ARG A 62 -1.455 -9.569 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -3.533 -9.862 -5.910 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -2.310 -8.888 -6.703 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -1.198 -11.168 -5.141 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -2.226 -11.660 -6.473 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.334 -9.451 -7.173 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.457 -10.956 -6.750 1.00 0.00 H new ATOM 0 HE ARG A 62 -1.900 -11.408 -8.495 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.479 -10.509 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.835 -11.038 -9.960 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -1.438 -12.082 -10.601 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.200 -11.919 -11.243 1.00 0.00 H new ATOM 1001 N LEU A 63 -0.171 -7.682 -5.143 1.00 0.00 N ATOM 1002 CA LEU A 63 0.580 -6.438 -5.411 1.00 0.00 C ATOM 1003 C LEU A 63 1.130 -6.477 -6.837 1.00 0.00 C ATOM 1004 O LEU A 63 1.897 -7.350 -7.191 1.00 0.00 O ATOM 1005 CB LEU A 63 1.711 -6.432 -4.384 1.00 0.00 C ATOM 1006 CG LEU A 63 1.848 -5.032 -3.791 1.00 0.00 C ATOM 1007 CD1 LEU A 63 1.980 -4.020 -4.924 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.606 -4.707 -2.960 1.00 0.00 C ATOM 0 H LEU A 63 0.363 -8.544 -5.253 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.034 -5.541 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.505 -7.155 -3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 63 2.647 -6.733 -4.855 1.00 0.00 H new ATOM 0 HG LEU A 63 2.731 -4.988 -3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.078 -3.018 -4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.863 -4.253 -5.519 1.00 0.00 H new ATOM 0 HD13 LEU A 63 1.094 -4.064 -5.557 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.703 -3.707 -2.536 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.278 -4.747 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.507 -5.435 -2.154 1.00 0.00 H new ATOM 1020 N ILE A 64 0.766 -5.529 -7.653 1.00 0.00 N ATOM 1021 CA ILE A 64 1.297 -5.509 -9.044 1.00 0.00 C ATOM 1022 C ILE A 64 2.625 -4.780 -8.993 1.00 0.00 C ATOM 1023 O ILE A 64 3.530 -5.014 -9.769 1.00 0.00 O ATOM 1024 CB ILE A 64 0.267 -4.731 -9.860 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.922 -5.638 -10.179 1.00 0.00 C ATOM 1026 CG2 ILE A 64 0.905 -4.249 -11.164 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.503 -6.196 -8.879 1.00 0.00 C ATOM 0 H ILE A 64 0.126 -4.770 -7.419 1.00 0.00 H new ATOM 0 HA ILE A 64 1.453 -6.495 -9.481 1.00 0.00 H new ATOM 0 HB ILE A 64 -0.076 -3.871 -9.285 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.685 -5.078 -10.720 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.606 -6.455 -10.828 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.169 -3.694 -11.746 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.752 -3.601 -10.937 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.249 -5.108 -11.740 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -2.350 -6.842 -9.107 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.739 -6.771 -8.356 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.835 -5.373 -8.246 1.00 0.00 H new ATOM 1039 N THR A 65 2.734 -3.912 -8.036 1.00 0.00 N ATOM 1040 CA THR A 65 3.974 -3.144 -7.825 1.00 0.00 C ATOM 1041 C THR A 65 4.603 -3.645 -6.521 1.00 0.00 C ATOM 1042 O THR A 65 5.048 -2.882 -5.690 1.00 0.00 O ATOM 1043 CB THR A 65 3.481 -1.702 -7.704 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.184 -1.195 -8.996 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.544 -0.836 -7.051 1.00 0.00 C ATOM 0 H THR A 65 1.989 -3.699 -7.373 1.00 0.00 H new ATOM 0 HA THR A 65 4.725 -3.239 -8.610 1.00 0.00 H new ATOM 0 HB THR A 65 2.583 -1.685 -7.086 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.334 -0.227 -9.010 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.180 0.188 -6.971 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.766 -1.221 -6.056 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.450 -0.853 -7.657 1.00 0.00 H new ATOM 1053 N VAL A 66 4.600 -4.944 -6.340 1.00 0.00 N ATOM 1054 CA VAL A 66 5.155 -5.555 -5.093 1.00 0.00 C ATOM 1055 C VAL A 66 6.294 -4.713 -4.532 1.00 0.00 C ATOM 1056 O VAL A 66 7.185 -4.303 -5.246 1.00 0.00 O ATOM 1057 CB VAL A 66 5.660 -6.939 -5.507 1.00 0.00 C ATOM 1058 CG1 VAL A 66 6.687 -7.447 -4.488 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.482 -7.914 -5.559 1.00 0.00 C ATOM 0 H VAL A 66 4.231 -5.615 -7.014 1.00 0.00 H new ATOM 0 HA VAL A 66 4.401 -5.616 -4.308 1.00 0.00 H new ATOM 0 HB VAL A 66 6.129 -6.869 -6.489 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.042 -8.433 -4.789 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.529 -6.756 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.221 -7.514 -3.505 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.839 -8.901 -5.854 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.017 -7.975 -4.575 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.750 -7.561 -6.285 1.00 0.00 H new ATOM 1069 N ASN A 67 6.251 -4.469 -3.250 1.00 0.00 N ATOM 1070 CA ASN A 67 7.304 -3.661 -2.577 1.00 0.00 C ATOM 1071 C ASN A 67 7.952 -2.665 -3.542 1.00 0.00 C ATOM 1072 O ASN A 67 9.068 -2.860 -3.977 1.00 0.00 O ATOM 1073 CB ASN A 67 8.327 -4.683 -2.071 1.00 0.00 C ATOM 1074 CG ASN A 67 8.772 -5.608 -3.206 1.00 0.00 C ATOM 1075 OD1 ASN A 67 8.815 -6.895 -2.999 1.00 0.00 O flip ATOM 1076 ND2 ASN A 67 9.098 -5.157 -4.285 1.00 0.00 N flip ATOM 0 H ASN A 67 5.514 -4.804 -2.630 1.00 0.00 H new ATOM 0 HA ASN A 67 6.891 -3.059 -1.767 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.192 -4.165 -1.657 1.00 0.00 H new ATOM 0 HB3 ASN A 67 7.892 -5.272 -1.264 1.00 0.00 H new ATOM 0 HD21 ASN A 67 9.065 -4.151 -4.448 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.405 -5.784 -5.028 1.00 0.00 H new ATOM 1083 N PRO A 68 7.230 -1.618 -3.841 1.00 0.00 N ATOM 1084 CA PRO A 68 7.763 -0.586 -4.755 1.00 0.00 C ATOM 1085 C PRO A 68 9.027 0.009 -4.143 1.00 0.00 C ATOM 1086 O PRO A 68 9.527 -0.492 -3.159 1.00 0.00 O ATOM 1087 CB PRO A 68 6.650 0.457 -4.861 1.00 0.00 C ATOM 1088 CG PRO A 68 5.638 0.110 -3.809 1.00 0.00 C ATOM 1089 CD PRO A 68 5.884 -1.309 -3.362 1.00 0.00 C ATOM 0 HA PRO A 68 8.032 -0.973 -5.738 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.044 1.461 -4.704 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.199 0.443 -5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.720 0.793 -2.964 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.628 0.213 -4.206 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.818 -1.400 -2.278 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.146 -1.991 -3.785 1.00 0.00 H new ATOM 1097 N ILE A 69 9.565 1.055 -4.707 1.00 0.00 N ATOM 1098 CA ILE A 69 10.811 1.626 -4.121 1.00 0.00 C ATOM 1099 C ILE A 69 10.837 3.150 -4.193 1.00 0.00 C ATOM 1100 O ILE A 69 10.427 3.751 -5.166 1.00 0.00 O ATOM 1101 CB ILE A 69 11.949 1.080 -4.984 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.047 -0.449 -4.817 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.267 1.754 -4.565 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.503 -0.869 -4.557 1.00 0.00 C ATOM 0 H ILE A 69 9.204 1.532 -5.533 1.00 0.00 H new ATOM 0 HA ILE A 69 10.889 1.355 -3.068 1.00 0.00 H new ATOM 0 HB ILE A 69 11.754 1.299 -6.034 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.416 -0.772 -3.989 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.674 -0.944 -5.714 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.083 1.369 -5.177 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.185 2.832 -4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.468 1.539 -3.515 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.554 -1.952 -4.441 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.125 -0.564 -5.398 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.863 -0.390 -3.647 1.00 0.00 H new ATOM 1116 N VAL A 70 11.398 3.770 -3.191 1.00 0.00 N ATOM 1117 CA VAL A 70 11.548 5.253 -3.222 1.00 0.00 C ATOM 1118 C VAL A 70 12.990 5.546 -3.617 1.00 0.00 C ATOM 1119 O VAL A 70 13.852 4.712 -3.441 1.00 0.00 O ATOM 1120 CB VAL A 70 11.277 5.760 -1.804 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.319 7.289 -1.798 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.896 5.296 -1.348 1.00 0.00 C ATOM 0 H VAL A 70 11.759 3.314 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 70 10.866 5.733 -3.924 1.00 0.00 H new ATOM 0 HB VAL A 70 12.035 5.365 -1.128 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.126 7.654 -0.789 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.302 7.627 -2.125 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.558 7.677 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.706 5.658 -0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.138 5.691 -2.024 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.857 4.207 -1.356 1.00 0.00 H new ATOM 1132 N THR A 71 13.274 6.696 -4.153 1.00 0.00 N ATOM 1133 CA THR A 71 14.683 6.974 -4.551 1.00 0.00 C ATOM 1134 C THR A 71 15.307 8.047 -3.662 1.00 0.00 C ATOM 1135 O THR A 71 16.513 8.160 -3.573 1.00 0.00 O ATOM 1136 CB THR A 71 14.609 7.457 -5.997 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.779 6.581 -6.747 1.00 0.00 O ATOM 1138 CG2 THR A 71 16.018 7.469 -6.592 1.00 0.00 C ATOM 0 H THR A 71 12.606 7.446 -4.332 1.00 0.00 H new ATOM 0 HA THR A 71 15.307 6.086 -4.446 1.00 0.00 H new ATOM 0 HB THR A 71 14.190 8.463 -6.030 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.730 6.892 -7.675 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.974 7.813 -7.625 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.652 8.141 -6.013 1.00 0.00 H new ATOM 0 HG23 THR A 71 16.434 6.462 -6.562 1.00 0.00 H new ATOM 1146 N GLU A 72 14.511 8.847 -3.010 1.00 0.00 N ATOM 1147 CA GLU A 72 15.103 9.908 -2.149 1.00 0.00 C ATOM 1148 C GLU A 72 14.447 9.932 -0.771 1.00 0.00 C ATOM 1149 O GLU A 72 14.577 10.887 -0.033 1.00 0.00 O ATOM 1150 CB GLU A 72 14.830 11.208 -2.894 1.00 0.00 C ATOM 1151 CG GLU A 72 15.381 11.098 -4.314 1.00 0.00 C ATOM 1152 CD GLU A 72 15.864 12.470 -4.786 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.031 13.262 -5.195 1.00 0.00 O ATOM 1154 OE2 GLU A 72 17.060 12.707 -4.729 1.00 0.00 O ATOM 0 H GLU A 72 13.492 8.814 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 72 16.166 9.742 -1.975 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.759 11.407 -2.921 1.00 0.00 H new ATOM 0 HB3 GLU A 72 15.297 12.044 -2.374 1.00 0.00 H new ATOM 0 HG2 GLU A 72 16.203 10.383 -4.341 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.609 10.722 -4.986 1.00 0.00 H new ATOM 1161 N LYS A 73 13.742 8.893 -0.416 1.00 0.00 N ATOM 1162 CA LYS A 73 13.077 8.855 0.921 1.00 0.00 C ATOM 1163 C LYS A 73 11.892 9.818 0.967 1.00 0.00 C ATOM 1164 O LYS A 73 11.181 9.883 1.943 1.00 0.00 O ATOM 1165 CB LYS A 73 14.153 9.286 1.919 1.00 0.00 C ATOM 1166 CG LYS A 73 13.811 8.747 3.307 1.00 0.00 C ATOM 1167 CD LYS A 73 13.887 9.887 4.325 1.00 0.00 C ATOM 1168 CE LYS A 73 12.473 10.288 4.750 1.00 0.00 C ATOM 1169 NZ LYS A 73 12.656 11.080 5.998 1.00 0.00 N ATOM 0 H LYS A 73 13.596 8.066 -0.995 1.00 0.00 H new ATOM 0 HA LYS A 73 12.683 7.864 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.127 8.913 1.603 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.222 10.373 1.947 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.812 8.312 3.305 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.504 7.952 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.464 9.574 5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 73 14.404 10.743 3.891 1.00 0.00 H new ATOM 0 HE2 LYS A 73 11.981 10.878 3.977 1.00 0.00 H new ATOM 0 HE3 LYS A 73 11.850 9.411 4.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 11.780 11.599 6.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 12.879 10.439 6.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.436 11.755 5.869 1.00 0.00 H new ATOM 1183 N ASP A 74 11.673 10.572 -0.070 1.00 0.00 N ATOM 1184 CA ASP A 74 10.530 11.521 -0.064 1.00 0.00 C ATOM 1185 C ASP A 74 9.809 11.490 -1.412 1.00 0.00 C ATOM 1186 O ASP A 74 8.837 12.186 -1.619 1.00 0.00 O ATOM 1187 CB ASP A 74 11.164 12.885 0.179 1.00 0.00 C ATOM 1188 CG ASP A 74 10.121 13.842 0.757 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.412 14.456 -0.023 1.00 0.00 O ATOM 1190 OD2 ASP A 74 10.049 13.945 1.970 1.00 0.00 O ATOM 0 H ASP A 74 12.235 10.572 -0.921 1.00 0.00 H new ATOM 0 HA ASP A 74 9.786 11.275 0.693 1.00 0.00 H new ATOM 0 HB2 ASP A 74 12.004 12.789 0.867 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.560 13.284 -0.755 1.00 0.00 H new ATOM 1195 N SER A 75 10.271 10.682 -2.328 1.00 0.00 N ATOM 1196 CA SER A 75 9.597 10.606 -3.652 1.00 0.00 C ATOM 1197 C SER A 75 8.269 9.861 -3.500 1.00 0.00 C ATOM 1198 O SER A 75 8.252 8.678 -3.222 1.00 0.00 O ATOM 1199 CB SER A 75 10.563 9.818 -4.537 1.00 0.00 C ATOM 1200 OG SER A 75 10.045 9.753 -5.859 1.00 0.00 O ATOM 0 H SER A 75 11.083 10.074 -2.216 1.00 0.00 H new ATOM 0 HA SER A 75 9.373 11.586 -4.075 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.542 10.296 -4.541 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.701 8.813 -4.139 1.00 0.00 H new ATOM 0 HG SER A 75 10.664 9.249 -6.428 1.00 0.00 H new ATOM 1206 N PRO A 76 7.194 10.581 -3.676 1.00 0.00 N ATOM 1207 CA PRO A 76 5.851 9.969 -3.541 1.00 0.00 C ATOM 1208 C PRO A 76 5.770 8.707 -4.400 1.00 0.00 C ATOM 1209 O PRO A 76 5.821 8.765 -5.613 1.00 0.00 O ATOM 1210 CB PRO A 76 4.902 11.048 -4.057 1.00 0.00 C ATOM 1211 CG PRO A 76 5.660 12.335 -3.940 1.00 0.00 C ATOM 1212 CD PRO A 76 7.128 12.004 -4.019 1.00 0.00 C ATOM 0 HA PRO A 76 5.613 9.666 -2.521 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.613 10.855 -5.090 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.984 11.078 -3.469 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.378 13.020 -4.739 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.429 12.832 -2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.526 12.192 -5.016 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.711 12.609 -3.324 1.00 0.00 H new ATOM 1220 N VAL A 77 5.662 7.567 -3.781 1.00 0.00 N ATOM 1221 CA VAL A 77 5.598 6.297 -4.565 1.00 0.00 C ATOM 1222 C VAL A 77 4.163 5.766 -4.659 1.00 0.00 C ATOM 1223 O VAL A 77 3.467 5.641 -3.671 1.00 0.00 O ATOM 1224 CB VAL A 77 6.474 5.319 -3.800 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.505 3.992 -4.553 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.889 5.887 -3.714 1.00 0.00 C ATOM 0 H VAL A 77 5.615 7.456 -2.768 1.00 0.00 H new ATOM 0 HA VAL A 77 5.934 6.445 -5.591 1.00 0.00 H new ATOM 0 HB VAL A 77 6.079 5.163 -2.796 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.131 3.282 -4.013 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.493 3.596 -4.633 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.913 4.150 -5.551 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.527 5.193 -3.167 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.286 6.029 -4.719 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.866 6.845 -3.195 1.00 0.00 H new ATOM 1236 N ASN A 78 3.727 5.432 -5.847 1.00 0.00 N ATOM 1237 CA ASN A 78 2.349 4.884 -6.019 1.00 0.00 C ATOM 1238 C ASN A 78 2.411 3.352 -5.964 1.00 0.00 C ATOM 1239 O ASN A 78 3.279 2.756 -6.569 1.00 0.00 O ATOM 1240 CB ASN A 78 1.909 5.347 -7.409 1.00 0.00 C ATOM 1241 CG ASN A 78 2.285 6.817 -7.604 1.00 0.00 C ATOM 1242 OD1 ASN A 78 1.649 7.697 -7.059 1.00 0.00 O ATOM 1243 ND2 ASN A 78 3.301 7.122 -8.366 1.00 0.00 N ATOM 0 H ASN A 78 4.268 5.516 -6.707 1.00 0.00 H new ATOM 0 HA ASN A 78 1.659 5.220 -5.245 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.385 4.735 -8.175 1.00 0.00 H new ATOM 0 HB3 ASN A 78 0.833 5.219 -7.522 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.560 8.099 -8.503 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.835 6.383 -8.824 1.00 0.00 H new ATOM 1250 N ILE A 79 1.526 2.690 -5.254 1.00 0.00 N ATOM 1251 CA ILE A 79 1.634 1.200 -5.224 1.00 0.00 C ATOM 1252 C ILE A 79 0.437 0.527 -5.890 1.00 0.00 C ATOM 1253 O ILE A 79 -0.693 0.639 -5.457 1.00 0.00 O ATOM 1254 CB ILE A 79 1.724 0.808 -3.754 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.804 1.663 -3.074 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.096 -0.677 -3.685 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.171 1.069 -1.711 1.00 0.00 C ATOM 0 H ILE A 79 0.763 3.099 -4.715 1.00 0.00 H new ATOM 0 HA ILE A 79 2.511 0.871 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 79 0.775 0.974 -3.244 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.690 1.713 -3.707 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.444 2.684 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.168 -0.986 -2.642 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.330 -1.268 -4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.056 -0.835 -4.177 1.00 0.00 H new ATOM 0 HD11 ILE A 79 3.937 1.685 -1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.286 1.042 -1.075 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.551 0.056 -1.846 1.00 0.00 H new ATOM 1269 N GLU A 80 0.710 -0.184 -6.943 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.355 -0.909 -7.687 1.00 0.00 C ATOM 1271 C GLU A 80 -0.601 -2.288 -7.058 1.00 0.00 C ATOM 1272 O GLU A 80 0.255 -3.149 -7.089 1.00 0.00 O ATOM 1273 CB GLU A 80 0.206 -1.061 -9.100 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.796 -0.498 -10.103 1.00 0.00 C ATOM 1275 CD GLU A 80 -0.050 0.037 -11.327 1.00 0.00 C ATOM 1276 OE1 GLU A 80 0.792 0.903 -11.151 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -0.333 -0.427 -12.419 1.00 0.00 O ATOM 0 H GLU A 80 1.647 -0.296 -7.329 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.309 -0.382 -7.671 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.157 -0.535 -9.185 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.402 -2.111 -9.315 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.500 -1.274 -10.404 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.379 0.300 -9.642 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.760 -2.510 -6.495 1.00 0.00 N ATOM 1285 CA ALA A 81 -2.043 -3.841 -5.874 1.00 0.00 C ATOM 1286 C ALA A 81 -3.421 -4.352 -6.305 1.00 0.00 C ATOM 1287 O ALA A 81 -4.303 -3.584 -6.631 1.00 0.00 O ATOM 1288 CB ALA A 81 -2.001 -3.598 -4.360 1.00 0.00 C ATOM 0 H ALA A 81 -2.520 -1.832 -6.438 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.320 -4.597 -6.181 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.200 -4.533 -3.836 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.016 -3.227 -4.078 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.757 -2.861 -4.089 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.611 -5.648 -6.318 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.932 -6.202 -6.738 1.00 0.00 C ATOM 1296 C GLU A 82 -5.752 -6.615 -5.513 1.00 0.00 C ATOM 1297 O GLU A 82 -5.521 -7.656 -4.930 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.591 -7.423 -7.590 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.865 -8.217 -7.888 1.00 0.00 C ATOM 1300 CD GLU A 82 -6.250 -8.034 -9.358 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -5.520 -8.521 -10.205 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -7.267 -7.411 -9.610 1.00 0.00 O ATOM 0 H GLU A 82 -2.911 -6.342 -6.057 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.530 -5.473 -7.285 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -4.121 -7.108 -8.522 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.872 -8.054 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.706 -9.273 -7.672 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.676 -7.878 -7.244 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.690 -5.776 -5.169 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.567 -6.048 -4.003 1.00 0.00 C ATOM 1311 C PRO A 83 -8.524 -7.202 -4.315 1.00 0.00 C ATOM 1312 O PRO A 83 -9.011 -7.325 -5.421 1.00 0.00 O ATOM 1313 CB PRO A 83 -8.339 -4.745 -3.816 1.00 0.00 C ATOM 1314 CG PRO A 83 -8.278 -4.055 -5.142 1.00 0.00 C ATOM 1315 CD PRO A 83 -7.014 -4.509 -5.826 1.00 0.00 C ATOM 0 HA PRO A 83 -7.012 -6.340 -3.112 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -9.370 -4.938 -3.520 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.892 -4.132 -3.033 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -9.152 -4.303 -5.745 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.277 -2.973 -5.012 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -7.166 -4.642 -6.897 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -6.212 -3.781 -5.706 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.759 -8.010 -3.319 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.669 -9.170 -3.479 1.00 0.00 C ATOM 1325 C PRO A 84 -11.122 -8.697 -3.580 1.00 0.00 C ATOM 1326 O PRO A 84 -11.710 -8.688 -4.644 1.00 0.00 O ATOM 1327 CB PRO A 84 -9.450 -9.984 -2.207 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.889 -9.022 -1.205 1.00 0.00 C ATOM 1329 CD PRO A 84 -8.204 -7.918 -1.967 1.00 0.00 C ATOM 0 HA PRO A 84 -9.471 -9.746 -4.383 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.385 -10.418 -1.853 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.762 -10.811 -2.384 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.682 -8.618 -0.576 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.184 -9.526 -0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.404 -6.944 -1.521 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.122 -8.050 -1.972 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.515 -2.995 3.307 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.590 -1.986 3.900 1.00 0.00 C ATOM 1389 C TYR A 89 -6.151 -2.282 3.473 1.00 0.00 C ATOM 1390 O TYR A 89 -5.501 -3.152 4.018 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.732 -2.138 5.415 1.00 0.00 C ATOM 1392 CG TYR A 89 -9.193 -2.214 5.786 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.913 -1.040 6.037 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -9.826 -3.459 5.885 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.268 -1.112 6.385 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -11.180 -3.530 6.233 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.901 -2.356 6.483 1.00 0.00 C ATOM 1398 OH TYR A 89 -13.236 -2.426 6.828 1.00 0.00 O ATOM 0 HA TYR A 89 -7.828 -0.974 3.572 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.215 -3.037 5.750 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.262 -1.294 5.920 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.424 -0.080 5.962 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.270 -4.364 5.693 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.824 -0.207 6.578 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.669 -4.490 6.309 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.519 -3.364 6.850 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.646 -1.566 2.507 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.247 -1.814 2.061 1.00 0.00 C ATOM 1410 C ILE A 90 -3.273 -1.266 3.104 1.00 0.00 C ATOM 1411 O ILE A 90 -3.430 -0.161 3.585 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.108 -1.060 0.738 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.796 -1.855 -0.375 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.627 -0.887 0.399 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.843 -0.975 -1.060 1.00 0.00 C ATOM 0 H ILE A 90 -6.138 -0.824 2.010 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.027 -2.875 1.940 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.575 -0.079 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.059 -2.194 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -5.269 -2.746 0.039 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.530 -0.349 -0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.136 -0.322 1.191 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.158 -1.867 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.332 -1.542 -1.852 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.586 -0.658 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -5.357 -0.098 -1.488 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.272 -2.021 3.470 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.316 -1.512 4.492 1.00 0.00 C ATOM 1429 C ILE A 91 0.012 -1.124 3.840 1.00 0.00 C ATOM 1430 O ILE A 91 0.553 -1.844 3.024 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.122 -2.664 5.472 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.412 -2.875 6.269 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.018 -2.320 6.432 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.342 -4.210 7.011 1.00 0.00 C ATOM 0 H ILE A 91 -2.077 -2.956 3.111 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.691 -0.618 4.990 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.879 -3.575 4.925 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.551 -2.059 6.979 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.272 -2.864 5.599 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.161 -3.140 7.135 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.936 -2.163 5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.230 -1.411 6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.261 -4.360 7.578 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.224 -5.020 6.292 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.492 -4.203 7.693 1.00 0.00 H new ATOM 1446 N ILE A 92 0.537 0.014 4.198 1.00 0.00 N ATOM 1447 CA ILE A 92 1.828 0.468 3.611 1.00 0.00 C ATOM 1448 C ILE A 92 2.830 0.751 4.733 1.00 0.00 C ATOM 1449 O ILE A 92 2.468 1.219 5.792 1.00 0.00 O ATOM 1450 CB ILE A 92 1.470 1.753 2.849 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.254 1.420 1.375 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.595 2.790 2.970 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.985 2.710 0.603 1.00 0.00 C ATOM 0 H ILE A 92 0.124 0.654 4.877 1.00 0.00 H new ATOM 0 HA ILE A 92 2.289 -0.273 2.958 1.00 0.00 H new ATOM 0 HB ILE A 92 0.560 2.171 3.280 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.132 0.917 0.971 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.414 0.734 1.264 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.319 3.691 2.423 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.751 3.037 4.020 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.515 2.379 2.553 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.830 2.478 -0.451 1.00 0.00 H new ATOM 0 HD12 ILE A 92 0.094 3.194 1.003 1.00 0.00 H new ATOM 0 HD13 ILE A 92 1.839 3.380 0.705 1.00 0.00 H new ATOM 1465 N GLY A 93 4.085 0.479 4.515 1.00 0.00 N ATOM 1466 CA GLY A 93 5.077 0.749 5.582 1.00 0.00 C ATOM 1467 C GLY A 93 5.077 -0.416 6.561 1.00 0.00 C ATOM 1468 O GLY A 93 4.594 -1.492 6.264 1.00 0.00 O ATOM 0 H GLY A 93 4.461 0.085 3.652 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.069 0.878 5.150 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.831 1.676 6.099 1.00 0.00 H new ATOM 1472 N VAL A 94 5.610 -0.218 7.720 1.00 0.00 N ATOM 1473 CA VAL A 94 5.641 -1.320 8.713 1.00 0.00 C ATOM 1474 C VAL A 94 4.880 -0.910 9.968 1.00 0.00 C ATOM 1475 O VAL A 94 4.866 0.248 10.332 1.00 0.00 O ATOM 1476 CB VAL A 94 7.127 -1.564 9.019 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.633 -2.693 8.118 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.949 -0.297 8.741 1.00 0.00 C ATOM 0 H VAL A 94 6.028 0.660 8.029 1.00 0.00 H new ATOM 0 HA VAL A 94 5.166 -2.226 8.337 1.00 0.00 H new ATOM 0 HB VAL A 94 7.237 -1.831 10.070 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.687 -2.878 8.324 1.00 0.00 H new ATOM 0 HG12 VAL A 94 7.061 -3.600 8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.512 -2.407 7.073 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.999 -0.488 8.963 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.845 -0.019 7.692 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.587 0.517 9.370 1.00 0.00 H new ATOM 1488 N GLU A 95 4.244 -1.862 10.613 1.00 0.00 N ATOM 1489 CA GLU A 95 3.455 -1.583 11.861 1.00 0.00 C ATOM 1490 C GLU A 95 3.844 -0.242 12.487 1.00 0.00 C ATOM 1491 O GLU A 95 3.009 0.625 12.650 1.00 0.00 O ATOM 1492 CB GLU A 95 3.802 -2.732 12.807 1.00 0.00 C ATOM 1493 CG GLU A 95 2.621 -3.700 12.889 1.00 0.00 C ATOM 1494 CD GLU A 95 2.816 -4.644 14.077 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.330 -4.193 15.087 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.448 -5.801 13.956 1.00 0.00 O ATOM 0 H GLU A 95 4.238 -2.840 10.322 1.00 0.00 H new ATOM 0 HA GLU A 95 2.387 -1.518 11.651 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.690 -3.254 12.451 1.00 0.00 H new ATOM 0 HB3 GLU A 95 4.037 -2.343 13.798 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.689 -3.145 13.001 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.542 -4.273 11.965 1.00 0.00 H new ATOM 1503 N PRO A 96 5.106 -0.116 12.811 1.00 0.00 N ATOM 1504 CA PRO A 96 5.629 1.139 13.417 1.00 0.00 C ATOM 1505 C PRO A 96 5.275 2.377 12.573 1.00 0.00 C ATOM 1506 O PRO A 96 6.131 2.982 11.961 1.00 0.00 O ATOM 1507 CB PRO A 96 7.150 0.929 13.442 1.00 0.00 C ATOM 1508 CG PRO A 96 7.408 -0.285 12.606 1.00 0.00 C ATOM 1509 CD PRO A 96 6.164 -1.118 12.666 1.00 0.00 C ATOM 0 HA PRO A 96 5.200 1.323 14.402 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.671 1.798 13.041 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.508 0.785 14.461 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.638 -0.006 11.578 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.265 -0.841 12.985 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.034 -1.715 11.764 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.182 -1.811 13.507 1.00 0.00 H new ATOM 1517 N GLY A 97 4.028 2.774 12.557 1.00 0.00 N ATOM 1518 CA GLY A 97 3.637 3.990 11.780 1.00 0.00 C ATOM 1519 C GLY A 97 3.184 3.616 10.363 1.00 0.00 C ATOM 1520 O GLY A 97 2.854 4.473 9.568 1.00 0.00 O ATOM 0 H GLY A 97 3.264 2.309 13.048 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.832 4.513 12.297 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.481 4.678 11.726 1.00 0.00 H new ATOM 1524 N GLN A 98 3.163 2.356 10.035 1.00 0.00 N ATOM 1525 CA GLN A 98 2.727 1.952 8.664 1.00 0.00 C ATOM 1526 C GLN A 98 1.387 2.629 8.321 1.00 0.00 C ATOM 1527 O GLN A 98 0.674 3.087 9.191 1.00 0.00 O ATOM 1528 CB GLN A 98 2.621 0.414 8.745 1.00 0.00 C ATOM 1529 CG GLN A 98 1.224 -0.089 8.353 1.00 0.00 C ATOM 1530 CD GLN A 98 1.021 -1.498 8.914 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.050 -1.829 9.385 1.00 0.00 O ATOM 1532 NE2 GLN A 98 2.011 -2.349 8.884 1.00 0.00 N ATOM 0 H GLN A 98 3.427 1.588 10.652 1.00 0.00 H new ATOM 0 HA GLN A 98 3.412 2.255 7.873 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.366 -0.036 8.088 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.852 0.088 9.759 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.460 0.584 8.742 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.119 -0.098 7.268 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.910 -2.072 8.489 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.886 -3.291 9.255 1.00 0.00 H new ATOM 1541 N LEU A 99 1.048 2.706 7.058 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.235 3.365 6.670 1.00 0.00 C ATOM 1543 C LEU A 99 -1.334 2.325 6.416 1.00 0.00 C ATOM 1544 O LEU A 99 -1.100 1.133 6.455 1.00 0.00 O ATOM 1545 CB LEU A 99 0.086 4.119 5.379 1.00 0.00 C ATOM 1546 CG LEU A 99 0.429 5.574 5.704 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.886 6.286 4.431 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.810 6.276 6.261 1.00 0.00 C ATOM 0 H LEU A 99 1.602 2.342 6.283 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.605 4.022 7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.923 3.644 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.767 4.079 4.701 1.00 0.00 H new ATOM 0 HG LEU A 99 1.229 5.602 6.444 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.131 7.323 4.662 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.768 5.786 4.031 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.086 6.258 3.691 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.567 7.313 6.493 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.608 6.248 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.139 5.769 7.168 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.531 2.779 6.151 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.660 1.838 5.886 1.00 0.00 C ATOM 1562 C LYS A 100 -4.720 2.529 5.024 1.00 0.00 C ATOM 1563 O LYS A 100 -5.050 3.679 5.235 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.225 1.498 7.261 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.078 -0.003 7.511 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.299 -0.300 8.995 1.00 0.00 C ATOM 1567 CE LYS A 100 -5.769 -0.067 9.350 1.00 0.00 C ATOM 1568 NZ LYS A 100 -5.757 0.351 10.780 1.00 0.00 N ATOM 0 H LYS A 100 -2.777 3.768 6.106 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.341 0.945 5.349 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.698 2.060 8.032 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.275 1.787 7.317 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.799 -0.555 6.908 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.086 -0.337 7.207 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -4.020 -1.330 9.216 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.661 0.341 9.604 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.211 0.703 8.717 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -6.358 -0.973 9.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.731 0.530 11.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.337 -0.404 11.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.195 1.220 10.883 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.252 1.843 4.049 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.284 2.474 3.173 1.00 0.00 C ATOM 1584 C LEU A 101 -7.356 1.451 2.783 1.00 0.00 C ATOM 1585 O LEU A 101 -7.059 0.396 2.260 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.515 2.943 1.936 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.256 3.695 2.371 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.138 2.693 2.669 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -3.809 4.633 1.248 1.00 0.00 C ATOM 0 H LEU A 101 -5.019 0.877 3.821 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.801 3.294 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.245 2.087 1.317 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.146 3.590 1.327 1.00 0.00 H new ATOM 0 HG LEU A 101 -4.473 4.275 3.268 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.241 3.230 2.979 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.454 2.022 3.468 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.921 2.112 1.772 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.912 5.169 1.557 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.593 4.051 0.352 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.603 5.348 1.033 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.601 1.757 3.034 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.693 0.805 2.679 1.00 0.00 C ATOM 1603 C ASN A 102 -10.201 1.080 1.260 1.00 0.00 C ATOM 1604 O ASN A 102 -10.444 2.210 0.886 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.797 1.072 3.703 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.988 0.155 3.421 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -11.914 -1.039 3.630 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -13.093 0.668 2.952 1.00 0.00 N ATOM 0 H ASN A 102 -8.909 2.626 3.470 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.357 -0.232 2.698 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.422 0.898 4.712 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -11.108 2.115 3.654 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.894 0.066 2.761 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.155 1.671 2.776 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.362 0.054 0.470 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.853 0.254 -0.924 1.00 0.00 C ATOM 1617 C TRP A 103 -11.731 -0.926 -1.353 1.00 0.00 C ATOM 1618 O TRP A 103 -11.845 -1.913 -0.654 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.587 0.318 -1.777 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.947 0.669 -3.185 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.195 -0.224 -4.170 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.102 1.990 -3.781 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.492 0.464 -5.333 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.448 1.831 -5.145 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -9.978 3.298 -3.278 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.663 2.928 -5.979 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.194 4.405 -4.115 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.536 4.220 -5.463 1.00 0.00 C ATOM 0 H TRP A 103 -10.175 -0.915 0.729 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.462 1.152 -1.024 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.900 1.061 -1.371 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.071 -0.642 -1.752 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.166 -1.299 -4.066 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.716 0.016 -6.221 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.715 3.452 -2.242 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.926 2.780 -7.016 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.096 5.405 -3.718 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.701 5.076 -6.101 1.00 0.00 H new