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 -58:sc= 0.119 USER MOD Set 1.2: A 31 THR OG1 : rot 76:sc= 0.6! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0049 USER MOD Single : A 17 LYS NZ :NH3+ -146:sc= 0.0676 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0193) USER MOD Single : A 22 LYS NZ :NH3+ -132:sc=-0.00493 (180deg=-0.218) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.55 X(o=-0.55,f=-0.3) USER MOD Single : A 37 GLN : amide:sc= -2.27 X(o=-2.3,f=-2) USER MOD Single : A 38 TYR OH : rot 144:sc= -1.97! USER MOD Single : A 43 SER OG : rot 180:sc= -3.42! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -170:sc= -0.0259 USER MOD Single : A 67 ASN : amide:sc= -9.56! C(o=-9.6!,f=-18!) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -1.6! C(o=-1.6!,f=-4.1!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -5.63! C(o=-5.6!,f=-5.8!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 ASN : amide:sc= -0.522 K(o=-0.52,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.699 0.148 2.932 1.00 0.00 N ATOM 216 CA CYS A 14 12.373 1.231 3.898 1.00 0.00 C ATOM 217 C CYS A 14 11.289 0.758 4.870 1.00 0.00 C ATOM 218 O CYS A 14 10.241 0.296 4.466 1.00 0.00 O ATOM 219 CB CYS A 14 11.877 2.389 3.035 1.00 0.00 C ATOM 220 SG CYS A 14 13.282 3.433 2.586 1.00 0.00 S ATOM 0 HA CYS A 14 13.228 1.524 4.507 1.00 0.00 H new ATOM 0 HB2 CYS A 14 11.389 2.008 2.138 1.00 0.00 H new ATOM 0 HB3 CYS A 14 11.133 2.972 3.579 1.00 0.00 H new ATOM 225 N THR A 15 11.538 0.856 6.148 1.00 0.00 N ATOM 226 CA THR A 15 10.524 0.394 7.136 1.00 0.00 C ATOM 227 C THR A 15 10.204 1.494 8.155 1.00 0.00 C ATOM 228 O THR A 15 9.617 1.237 9.186 1.00 0.00 O ATOM 229 CB THR A 15 11.171 -0.804 7.833 1.00 0.00 C ATOM 230 OG1 THR A 15 12.584 -0.657 7.807 1.00 0.00 O ATOM 231 CG2 THR A 15 10.776 -2.092 7.109 1.00 0.00 C ATOM 0 H THR A 15 12.396 1.235 6.548 1.00 0.00 H new ATOM 0 HA THR A 15 9.581 0.136 6.655 1.00 0.00 H new ATOM 0 HB THR A 15 10.829 -0.853 8.867 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.001 -1.423 8.255 1.00 0.00 H new ATOM 0 HG21 THR A 15 11.237 -2.945 7.606 1.00 0.00 H new ATOM 0 HG22 THR A 15 9.692 -2.203 7.129 1.00 0.00 H new ATOM 0 HG23 THR A 15 11.117 -2.047 6.075 1.00 0.00 H new ATOM 239 N GLY A 16 10.572 2.716 7.885 1.00 0.00 N ATOM 240 CA GLY A 16 10.259 3.799 8.860 1.00 0.00 C ATOM 241 C GLY A 16 8.745 4.045 8.855 1.00 0.00 C ATOM 242 O GLY A 16 7.999 3.358 9.524 1.00 0.00 O ATOM 0 H GLY A 16 11.069 3.009 7.044 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.592 3.516 9.858 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.791 4.712 8.593 1.00 0.00 H new ATOM 246 N LYS A 17 8.282 5.013 8.109 1.00 0.00 N ATOM 247 CA LYS A 17 6.817 5.288 8.069 1.00 0.00 C ATOM 248 C LYS A 17 6.430 5.846 6.695 1.00 0.00 C ATOM 249 O LYS A 17 7.270 6.320 5.957 1.00 0.00 O ATOM 250 CB LYS A 17 6.606 6.350 9.144 1.00 0.00 C ATOM 251 CG LYS A 17 5.545 5.877 10.134 1.00 0.00 C ATOM 252 CD LYS A 17 5.972 6.256 11.553 1.00 0.00 C ATOM 253 CE LYS A 17 7.064 5.296 12.030 1.00 0.00 C ATOM 254 NZ LYS A 17 7.183 5.546 13.493 1.00 0.00 N ATOM 0 H LYS A 17 8.855 5.624 7.527 1.00 0.00 H new ATOM 0 HA LYS A 17 6.214 4.396 8.237 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.543 6.544 9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.296 7.289 8.685 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.583 6.331 9.898 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.415 4.797 10.057 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.341 7.282 11.572 1.00 0.00 H new ATOM 0 HD3 LYS A 17 5.116 6.213 12.226 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.795 4.259 11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.008 5.486 11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 8.173 5.424 13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 6.876 6.517 13.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 6.583 4.872 14.010 1.00 0.00 H new ATOM 268 N PHE A 18 5.173 5.799 6.338 1.00 0.00 N ATOM 269 CA PHE A 18 4.774 6.337 5.002 1.00 0.00 C ATOM 270 C PHE A 18 3.651 7.366 5.123 1.00 0.00 C ATOM 271 O PHE A 18 2.802 7.282 5.988 1.00 0.00 O ATOM 272 CB PHE A 18 4.304 5.126 4.219 1.00 0.00 C ATOM 273 CG PHE A 18 5.510 4.375 3.734 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.139 3.466 4.584 1.00 0.00 C ATOM 275 CD2 PHE A 18 6.015 4.603 2.448 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.278 2.779 4.158 1.00 0.00 C ATOM 277 CE2 PHE A 18 7.153 3.913 2.016 1.00 0.00 C ATOM 278 CZ PHE A 18 7.786 3.001 2.873 1.00 0.00 C ATOM 0 H PHE A 18 4.415 5.417 6.904 1.00 0.00 H new ATOM 0 HA PHE A 18 5.602 6.853 4.516 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.686 4.485 4.848 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.687 5.436 3.376 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.744 3.293 5.574 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.528 5.309 1.792 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.766 2.078 4.819 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.544 4.083 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.666 2.470 2.541 1.00 0.00 H new ATOM 288 N LYS A 19 3.642 8.335 4.247 1.00 0.00 N ATOM 289 CA LYS A 19 2.579 9.373 4.283 1.00 0.00 C ATOM 290 C LYS A 19 1.722 9.256 3.026 1.00 0.00 C ATOM 291 O LYS A 19 2.195 9.458 1.929 1.00 0.00 O ATOM 292 CB LYS A 19 3.332 10.702 4.283 1.00 0.00 C ATOM 293 CG LYS A 19 2.334 11.858 4.379 1.00 0.00 C ATOM 294 CD LYS A 19 3.021 13.162 3.974 1.00 0.00 C ATOM 295 CE LYS A 19 3.079 13.256 2.448 1.00 0.00 C ATOM 296 NZ LYS A 19 1.769 13.844 2.050 1.00 0.00 N ATOM 0 H LYS A 19 4.331 8.450 3.504 1.00 0.00 H new ATOM 0 HA LYS A 19 1.921 9.276 5.146 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.027 10.738 5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.925 10.795 3.373 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.479 11.669 3.730 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.951 11.938 5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.476 14.014 4.381 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.028 13.199 4.390 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.909 13.883 2.122 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.225 12.274 1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.537 13.550 1.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.028 13.512 2.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.827 14.882 2.093 1.00 0.00 H new ATOM 310 N VAL A 20 0.471 8.935 3.156 1.00 0.00 N ATOM 311 CA VAL A 20 -0.361 8.819 1.932 1.00 0.00 C ATOM 312 C VAL A 20 -0.362 10.160 1.201 1.00 0.00 C ATOM 313 O VAL A 20 -0.726 11.184 1.745 1.00 0.00 O ATOM 314 CB VAL A 20 -1.766 8.456 2.418 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.678 8.215 1.211 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.701 7.181 3.262 1.00 0.00 C ATOM 0 H VAL A 20 -0.006 8.751 4.039 1.00 0.00 H new ATOM 0 HA VAL A 20 0.014 8.067 1.238 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.163 9.274 3.020 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.679 7.956 1.557 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.726 9.120 0.605 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.279 7.397 0.611 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.702 6.922 3.608 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.304 6.365 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.051 7.346 4.121 1.00 0.00 H new ATOM 326 N VAL A 21 0.047 10.149 -0.032 1.00 0.00 N ATOM 327 CA VAL A 21 0.087 11.395 -0.833 1.00 0.00 C ATOM 328 C VAL A 21 -1.189 11.449 -1.661 1.00 0.00 C ATOM 329 O VAL A 21 -1.685 12.500 -2.014 1.00 0.00 O ATOM 330 CB VAL A 21 1.329 11.232 -1.712 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.378 12.333 -2.769 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.579 11.315 -0.833 1.00 0.00 C ATOM 0 H VAL A 21 0.361 9.314 -0.526 1.00 0.00 H new ATOM 0 HA VAL A 21 0.141 12.315 -0.250 1.00 0.00 H new ATOM 0 HB VAL A 21 1.288 10.265 -2.213 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.267 12.205 -3.387 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.488 12.275 -3.396 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.414 13.306 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.468 11.200 -1.453 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.608 12.283 -0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.552 10.522 -0.086 1.00 0.00 H new ATOM 342 N LYS A 22 -1.737 10.299 -1.934 1.00 0.00 N ATOM 343 CA LYS A 22 -3.006 10.226 -2.699 1.00 0.00 C ATOM 344 C LYS A 22 -3.677 8.883 -2.421 1.00 0.00 C ATOM 345 O LYS A 22 -3.044 7.835 -2.441 1.00 0.00 O ATOM 346 CB LYS A 22 -2.631 10.356 -4.168 1.00 0.00 C ATOM 347 CG LYS A 22 -3.864 10.070 -5.025 1.00 0.00 C ATOM 348 CD LYS A 22 -3.434 9.359 -6.308 1.00 0.00 C ATOM 349 CE LYS A 22 -4.337 9.795 -7.463 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.840 11.145 -7.851 1.00 0.00 N ATOM 0 H LYS A 22 -1.352 9.396 -1.655 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.705 11.013 -2.416 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.255 11.358 -4.373 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.831 9.658 -4.415 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.570 9.451 -4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.377 11.001 -5.266 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.395 9.596 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.493 8.279 -6.175 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -4.276 9.097 -8.298 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.382 9.832 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.643 11.800 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.181 11.494 -7.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.348 11.084 -8.765 1.00 0.00 H new ATOM 364 N GLU A 23 -4.952 8.920 -2.151 1.00 0.00 N ATOM 365 CA GLU A 23 -5.706 7.672 -1.843 1.00 0.00 C ATOM 366 C GLU A 23 -5.488 6.620 -2.923 1.00 0.00 C ATOM 367 O GLU A 23 -5.135 6.925 -4.045 1.00 0.00 O ATOM 368 CB GLU A 23 -7.173 8.100 -1.802 1.00 0.00 C ATOM 369 CG GLU A 23 -7.902 7.323 -0.703 1.00 0.00 C ATOM 370 CD GLU A 23 -9.186 8.062 -0.321 1.00 0.00 C ATOM 371 OE1 GLU A 23 -9.727 8.746 -1.172 1.00 0.00 O ATOM 372 OE2 GLU A 23 -9.604 7.931 0.818 1.00 0.00 O ATOM 0 H GLU A 23 -5.511 9.773 -2.130 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.379 7.222 -0.906 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.245 9.171 -1.613 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.644 7.914 -2.767 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.138 6.317 -1.050 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.258 7.216 0.170 1.00 0.00 H new ATOM 379 N ILE A 24 -5.700 5.380 -2.588 1.00 0.00 N ATOM 380 CA ILE A 24 -5.508 4.299 -3.589 1.00 0.00 C ATOM 381 C ILE A 24 -6.226 4.654 -4.891 1.00 0.00 C ATOM 382 O ILE A 24 -7.380 5.037 -4.897 1.00 0.00 O ATOM 383 CB ILE A 24 -6.115 3.039 -2.943 1.00 0.00 C ATOM 384 CG1 ILE A 24 -4.999 2.214 -2.305 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.823 2.177 -3.996 1.00 0.00 C ATOM 386 CD1 ILE A 24 -3.931 1.908 -3.360 1.00 0.00 C ATOM 0 H ILE A 24 -5.998 5.069 -1.664 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.459 4.149 -3.844 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.840 3.350 -2.191 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.558 2.761 -1.472 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.403 1.286 -1.900 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.244 1.292 -3.519 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.622 2.754 -4.461 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.106 1.871 -4.758 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.132 1.319 -2.909 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.379 1.345 -4.179 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.521 2.842 -3.744 1.00 0.00 H new ATOM 398 N ALA A 25 -5.555 4.501 -5.991 1.00 0.00 N ATOM 399 CA ALA A 25 -6.192 4.790 -7.297 1.00 0.00 C ATOM 400 C ALA A 25 -6.563 3.462 -7.946 1.00 0.00 C ATOM 401 O ALA A 25 -6.171 2.418 -7.475 1.00 0.00 O ATOM 402 CB ALA A 25 -5.126 5.521 -8.114 1.00 0.00 C ATOM 0 H ALA A 25 -4.586 4.186 -6.042 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.097 5.393 -7.216 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -5.527 5.768 -9.097 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -4.838 6.437 -7.599 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.252 4.879 -8.229 1.00 0.00 H new ATOM 408 N GLU A 26 -7.313 3.476 -9.007 1.00 0.00 N ATOM 409 CA GLU A 26 -7.687 2.183 -9.643 1.00 0.00 C ATOM 410 C GLU A 26 -7.049 2.062 -11.025 1.00 0.00 C ATOM 411 O GLU A 26 -7.108 2.969 -11.831 1.00 0.00 O ATOM 412 CB GLU A 26 -9.210 2.217 -9.749 1.00 0.00 C ATOM 413 CG GLU A 26 -9.651 3.564 -10.320 1.00 0.00 C ATOM 414 CD GLU A 26 -10.165 4.456 -9.188 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.590 4.404 -8.113 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.122 5.176 -9.416 1.00 0.00 O ATOM 0 H GLU A 26 -7.681 4.313 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.340 1.326 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.559 1.407 -10.389 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.657 2.062 -8.767 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -8.816 4.047 -10.827 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.433 3.417 -11.065 1.00 0.00 H new ATOM 423 N THR A 27 -6.441 0.942 -11.305 1.00 0.00 N ATOM 424 CA THR A 27 -5.801 0.760 -12.639 1.00 0.00 C ATOM 425 C THR A 27 -6.808 0.155 -13.621 1.00 0.00 C ATOM 426 O THR A 27 -7.937 -0.128 -13.271 1.00 0.00 O ATOM 427 CB THR A 27 -4.640 -0.205 -12.401 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.146 -1.526 -12.279 1.00 0.00 O ATOM 429 CG2 THR A 27 -3.895 0.179 -11.120 1.00 0.00 C ATOM 0 H THR A 27 -6.360 0.148 -10.671 1.00 0.00 H new ATOM 0 HA THR A 27 -5.460 1.703 -13.066 1.00 0.00 H new ATOM 0 HB THR A 27 -3.949 -0.152 -13.243 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.796 -1.561 -11.547 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.069 -0.514 -10.958 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.505 1.192 -11.216 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.580 0.132 -10.273 1.00 0.00 H new ATOM 437 N GLN A 28 -6.411 -0.046 -14.847 1.00 0.00 N ATOM 438 CA GLN A 28 -7.350 -0.634 -15.845 1.00 0.00 C ATOM 439 C GLN A 28 -7.141 -2.148 -15.939 1.00 0.00 C ATOM 440 O GLN A 28 -7.316 -2.744 -16.984 1.00 0.00 O ATOM 441 CB GLN A 28 -6.997 0.042 -17.170 1.00 0.00 C ATOM 442 CG GLN A 28 -5.553 -0.293 -17.548 1.00 0.00 C ATOM 443 CD GLN A 28 -5.304 0.098 -19.006 1.00 0.00 C ATOM 444 OE1 GLN A 28 -5.044 -0.749 -19.838 1.00 0.00 O ATOM 445 NE2 GLN A 28 -5.372 1.354 -19.354 1.00 0.00 N ATOM 0 H GLN A 28 -5.479 0.171 -15.201 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.394 -0.475 -15.574 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.676 -0.294 -17.954 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.120 1.122 -17.083 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -4.862 0.239 -16.894 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.367 -1.358 -17.409 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.590 2.065 -18.656 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -5.207 1.624 -20.324 1.00 0.00 H new ATOM 454 N HIS A 29 -6.765 -2.774 -14.857 1.00 0.00 N ATOM 455 CA HIS A 29 -6.543 -4.249 -14.890 1.00 0.00 C ATOM 456 C HIS A 29 -7.079 -4.896 -13.610 1.00 0.00 C ATOM 457 O HIS A 29 -6.836 -6.056 -13.340 1.00 0.00 O ATOM 458 CB HIS A 29 -5.026 -4.417 -14.979 1.00 0.00 C ATOM 459 CG HIS A 29 -4.642 -4.771 -16.389 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.321 -4.918 -16.780 1.00 0.00 N ATOM 461 CD2 HIS A 29 -5.395 -5.009 -17.512 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.319 -5.231 -18.088 1.00 0.00 C ATOM 463 NE2 HIS A 29 -4.557 -5.301 -18.583 1.00 0.00 N ATOM 0 H HIS A 29 -6.602 -2.330 -13.953 1.00 0.00 H new ATOM 0 HA HIS A 29 -7.058 -4.725 -15.725 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.529 -3.495 -14.676 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.695 -5.198 -14.294 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -6.474 -4.975 -17.557 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.424 -5.405 -18.668 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -4.830 -5.521 -19.541 1.00 0.00 H new ATOM 471 N GLY A 30 -7.805 -4.156 -12.817 1.00 0.00 N ATOM 472 CA GLY A 30 -8.350 -4.730 -11.554 1.00 0.00 C ATOM 473 C GLY A 30 -7.435 -4.352 -10.389 1.00 0.00 C ATOM 474 O GLY A 30 -7.686 -4.697 -9.251 1.00 0.00 O ATOM 0 H GLY A 30 -8.044 -3.179 -12.989 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.358 -4.355 -11.376 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.424 -5.814 -11.636 1.00 0.00 H new ATOM 478 N THR A 31 -6.373 -3.644 -10.664 1.00 0.00 N ATOM 479 CA THR A 31 -5.437 -3.240 -9.577 1.00 0.00 C ATOM 480 C THR A 31 -5.764 -1.830 -9.094 1.00 0.00 C ATOM 481 O THR A 31 -6.687 -1.195 -9.565 1.00 0.00 O ATOM 482 CB THR A 31 -4.046 -3.258 -10.216 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.161 -3.514 -11.610 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.206 -4.354 -9.570 1.00 0.00 C ATOM 0 H THR A 31 -6.113 -3.327 -11.598 1.00 0.00 H new ATOM 0 HA THR A 31 -5.506 -3.905 -8.716 1.00 0.00 H new ATOM 0 HB THR A 31 -3.568 -2.290 -10.064 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.470 -2.704 -12.067 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.215 -4.368 -10.024 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.113 -4.159 -8.502 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.689 -5.319 -9.722 1.00 0.00 H new ATOM 492 N ILE A 32 -4.987 -1.326 -8.182 1.00 0.00 N ATOM 493 CA ILE A 32 -5.208 0.055 -7.684 1.00 0.00 C ATOM 494 C ILE A 32 -3.850 0.700 -7.504 1.00 0.00 C ATOM 495 O ILE A 32 -2.837 0.087 -7.759 1.00 0.00 O ATOM 496 CB ILE A 32 -5.935 -0.034 -6.335 1.00 0.00 C ATOM 497 CG1 ILE A 32 -5.863 -1.452 -5.768 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.396 0.363 -6.523 1.00 0.00 C ATOM 499 CD1 ILE A 32 -5.931 -1.391 -4.241 1.00 0.00 C ATOM 0 H ILE A 32 -4.201 -1.817 -7.756 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.808 0.644 -8.378 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.449 0.644 -5.633 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.685 -2.053 -6.156 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.938 -1.935 -6.083 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.916 0.301 -5.567 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.450 1.384 -6.900 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.868 -0.312 -7.237 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.880 -2.401 -3.834 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.094 -0.804 -3.863 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -6.868 -0.924 -3.937 1.00 0.00 H new ATOM 511 N VAL A 33 -3.807 1.925 -7.093 1.00 0.00 N ATOM 512 CA VAL A 33 -2.489 2.583 -6.940 1.00 0.00 C ATOM 513 C VAL A 33 -2.422 3.431 -5.675 1.00 0.00 C ATOM 514 O VAL A 33 -3.216 4.326 -5.470 1.00 0.00 O ATOM 515 CB VAL A 33 -2.398 3.458 -8.173 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.077 4.217 -8.159 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.491 2.571 -9.415 1.00 0.00 C ATOM 0 H VAL A 33 -4.618 2.498 -6.857 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.673 1.867 -6.849 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.215 4.180 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.010 4.847 -9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.025 4.840 -7.266 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.250 3.507 -8.155 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.427 3.190 -10.310 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.671 1.852 -9.411 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.441 2.037 -9.411 1.00 0.00 H new ATOM 527 N ILE A 34 -1.465 3.171 -4.830 1.00 0.00 N ATOM 528 CA ILE A 34 -1.346 3.978 -3.598 1.00 0.00 C ATOM 529 C ILE A 34 -0.157 4.923 -3.708 1.00 0.00 C ATOM 530 O ILE A 34 0.982 4.514 -3.772 1.00 0.00 O ATOM 531 CB ILE A 34 -1.184 2.963 -2.460 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.036 3.439 -1.303 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.273 2.855 -1.997 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.434 4.723 -0.741 1.00 0.00 C ATOM 0 H ILE A 34 -0.766 2.437 -4.943 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.215 4.612 -3.421 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.491 1.978 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.059 3.616 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.081 2.673 -0.528 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.345 2.126 -1.190 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.897 2.536 -2.832 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.614 3.827 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.041 5.074 0.094 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.419 4.528 -0.395 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.411 5.485 -1.520 1.00 0.00 H new ATOM 546 N ARG A 35 -0.421 6.186 -3.720 1.00 0.00 N ATOM 547 CA ARG A 35 0.687 7.164 -3.819 1.00 0.00 C ATOM 548 C ARG A 35 0.988 7.678 -2.415 1.00 0.00 C ATOM 549 O ARG A 35 0.145 8.257 -1.760 1.00 0.00 O ATOM 550 CB ARG A 35 0.149 8.249 -4.761 1.00 0.00 C ATOM 551 CG ARG A 35 0.610 9.639 -4.315 1.00 0.00 C ATOM 552 CD ARG A 35 0.485 10.617 -5.486 1.00 0.00 C ATOM 553 NE ARG A 35 1.887 10.970 -5.844 1.00 0.00 N ATOM 554 CZ ARG A 35 2.131 12.020 -6.583 1.00 0.00 C ATOM 555 NH1 ARG A 35 1.147 12.766 -7.009 1.00 0.00 N ATOM 556 NH2 ARG A 35 3.361 12.323 -6.895 1.00 0.00 N ATOM 0 H ARG A 35 -1.356 6.589 -3.666 1.00 0.00 H new ATOM 0 HA ARG A 35 1.624 6.765 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.493 8.057 -5.777 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.940 8.212 -4.780 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.006 9.982 -3.475 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.643 9.598 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.034 10.160 -6.328 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.085 11.502 -5.202 1.00 0.00 H new ATOM 0 HE ARG A 35 2.658 10.391 -5.512 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.185 12.530 -6.765 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.340 13.585 -7.586 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.130 11.741 -6.562 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.554 13.142 -7.472 1.00 0.00 H new ATOM 570 N VAL A 36 2.177 7.446 -1.936 1.00 0.00 N ATOM 571 CA VAL A 36 2.517 7.891 -0.576 1.00 0.00 C ATOM 572 C VAL A 36 3.958 8.310 -0.544 1.00 0.00 C ATOM 573 O VAL A 36 4.763 7.884 -1.336 1.00 0.00 O ATOM 574 CB VAL A 36 2.263 6.693 0.341 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.009 5.950 -0.117 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.460 5.734 0.301 1.00 0.00 C ATOM 0 H VAL A 36 2.924 6.965 -2.437 1.00 0.00 H new ATOM 0 HA VAL A 36 1.921 8.745 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 36 2.125 7.055 1.360 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.831 5.097 0.539 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.152 6.623 -0.077 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.147 5.599 -1.140 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.268 4.885 0.957 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.607 5.378 -0.719 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.356 6.256 0.636 1.00 0.00 H new ATOM 586 N GLN A 37 4.283 9.144 0.360 1.00 0.00 N ATOM 587 CA GLN A 37 5.661 9.614 0.449 1.00 0.00 C ATOM 588 C GLN A 37 6.341 8.907 1.605 1.00 0.00 C ATOM 589 O GLN A 37 5.876 8.940 2.727 1.00 0.00 O ATOM 590 CB GLN A 37 5.481 11.093 0.714 1.00 0.00 C ATOM 591 CG GLN A 37 6.841 11.791 0.766 1.00 0.00 C ATOM 592 CD GLN A 37 7.173 12.157 2.213 1.00 0.00 C ATOM 593 OE1 GLN A 37 7.857 11.421 2.897 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.715 13.271 2.713 1.00 0.00 N ATOM 0 H GLN A 37 3.645 9.530 1.056 1.00 0.00 H new ATOM 0 HA GLN A 37 6.278 9.425 -0.430 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.866 11.538 -0.068 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.953 11.239 1.656 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.613 11.137 0.359 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.825 12.688 0.148 1.00 0.00 H new ATOM 0 HE21 GLN A 37 6.141 13.889 2.140 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.931 13.524 3.677 1.00 0.00 H new ATOM 603 N TYR A 38 7.421 8.242 1.346 1.00 0.00 N ATOM 604 CA TYR A 38 8.092 7.510 2.450 1.00 0.00 C ATOM 605 C TYR A 38 8.518 8.479 3.553 1.00 0.00 C ATOM 606 O TYR A 38 9.283 9.394 3.335 1.00 0.00 O ATOM 607 CB TYR A 38 9.315 6.847 1.825 1.00 0.00 C ATOM 608 CG TYR A 38 10.120 6.181 2.914 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.493 5.317 3.819 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.492 6.429 3.020 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.241 4.701 4.829 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.239 5.814 4.029 1.00 0.00 C ATOM 613 CZ TYR A 38 11.615 4.948 4.933 1.00 0.00 C ATOM 614 OH TYR A 38 12.352 4.339 5.928 1.00 0.00 O ATOM 0 H TYR A 38 7.867 8.171 0.431 1.00 0.00 H new ATOM 0 HA TYR A 38 7.427 6.778 2.907 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.007 6.112 1.081 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.923 7.589 1.307 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.433 5.126 3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.975 7.096 2.322 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.758 4.035 5.528 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.298 6.008 4.111 1.00 0.00 H new ATOM 0 HH TYR A 38 13.244 4.119 5.586 1.00 0.00 H new ATOM 624 N GLU A 39 8.023 8.275 4.740 1.00 0.00 N ATOM 625 CA GLU A 39 8.394 9.167 5.873 1.00 0.00 C ATOM 626 C GLU A 39 9.605 8.588 6.595 1.00 0.00 C ATOM 627 O GLU A 39 10.374 9.293 7.219 1.00 0.00 O ATOM 628 CB GLU A 39 7.175 9.154 6.796 1.00 0.00 C ATOM 629 CG GLU A 39 6.341 10.413 6.559 1.00 0.00 C ATOM 630 CD GLU A 39 5.431 10.659 7.764 1.00 0.00 C ATOM 631 OE1 GLU A 39 4.605 9.804 8.041 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.576 11.695 8.389 1.00 0.00 O ATOM 0 H GLU A 39 7.374 7.525 4.976 1.00 0.00 H new ATOM 0 HA GLU A 39 8.651 10.176 5.550 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.573 8.265 6.608 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.495 9.108 7.837 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.995 11.271 6.403 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.742 10.300 5.655 1.00 0.00 H new ATOM 639 N GLY A 40 9.772 7.300 6.511 1.00 0.00 N ATOM 640 CA GLY A 40 10.921 6.645 7.183 1.00 0.00 C ATOM 641 C GLY A 40 12.227 7.141 6.575 1.00 0.00 C ATOM 642 O GLY A 40 12.277 8.166 5.926 1.00 0.00 O ATOM 0 H GLY A 40 9.155 6.669 6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.901 6.862 8.251 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.848 5.563 7.076 1.00 0.00 H new ATOM 646 N ASP A 41 13.286 6.412 6.778 1.00 0.00 N ATOM 647 CA ASP A 41 14.598 6.829 6.208 1.00 0.00 C ATOM 648 C ASP A 41 15.215 5.680 5.410 1.00 0.00 C ATOM 649 O ASP A 41 15.228 4.546 5.848 1.00 0.00 O ATOM 650 CB ASP A 41 15.467 7.172 7.418 1.00 0.00 C ATOM 651 CG ASP A 41 15.755 5.899 8.216 1.00 0.00 C ATOM 652 OD1 ASP A 41 14.831 5.131 8.422 1.00 0.00 O ATOM 653 OD2 ASP A 41 16.896 5.716 8.608 1.00 0.00 O ATOM 0 H ASP A 41 13.302 5.544 7.314 1.00 0.00 H new ATOM 0 HA ASP A 41 14.502 7.674 5.526 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.401 7.628 7.091 1.00 0.00 H new ATOM 0 HB3 ASP A 41 14.960 7.902 8.048 1.00 0.00 H new ATOM 658 N GLY A 42 15.725 5.957 4.238 1.00 0.00 N ATOM 659 CA GLY A 42 16.334 4.866 3.428 1.00 0.00 C ATOM 660 C GLY A 42 16.682 5.369 2.021 1.00 0.00 C ATOM 661 O GLY A 42 17.531 4.809 1.355 1.00 0.00 O ATOM 0 H GLY A 42 15.745 6.883 3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.234 4.498 3.921 1.00 0.00 H new ATOM 0 HA3 GLY A 42 15.642 4.027 3.359 1.00 0.00 H new ATOM 665 N SER A 43 16.040 6.406 1.549 1.00 0.00 N ATOM 666 CA SER A 43 16.361 6.899 0.179 1.00 0.00 C ATOM 667 C SER A 43 16.045 5.772 -0.821 1.00 0.00 C ATOM 668 O SER A 43 15.220 4.938 -0.521 1.00 0.00 O ATOM 669 CB SER A 43 17.850 7.210 0.257 1.00 0.00 C ATOM 670 OG SER A 43 18.154 8.311 -0.589 1.00 0.00 O ATOM 0 H SER A 43 15.317 6.926 2.046 1.00 0.00 H new ATOM 0 HA SER A 43 15.795 7.772 -0.147 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.130 7.441 1.285 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.430 6.337 -0.043 1.00 0.00 H new ATOM 0 HG SER A 43 19.112 8.510 -0.535 1.00 0.00 H new ATOM 676 N PRO A 44 16.689 5.749 -1.972 1.00 0.00 N ATOM 677 CA PRO A 44 16.408 4.668 -2.942 1.00 0.00 C ATOM 678 C PRO A 44 16.297 3.340 -2.191 1.00 0.00 C ATOM 679 O PRO A 44 17.279 2.708 -1.860 1.00 0.00 O ATOM 680 CB PRO A 44 17.608 4.711 -3.879 1.00 0.00 C ATOM 681 CG PRO A 44 18.059 6.136 -3.841 1.00 0.00 C ATOM 682 CD PRO A 44 17.702 6.680 -2.477 1.00 0.00 C ATOM 0 HA PRO A 44 15.473 4.781 -3.491 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.396 4.036 -3.546 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.334 4.408 -4.890 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.133 6.205 -4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.572 6.715 -4.626 1.00 0.00 H new ATOM 0 HD2 PRO A 44 18.573 6.715 -1.822 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.312 7.696 -2.543 1.00 0.00 H new ATOM 690 N CYS A 45 15.091 2.948 -1.889 1.00 0.00 N ATOM 691 CA CYS A 45 14.865 1.700 -1.121 1.00 0.00 C ATOM 692 C CYS A 45 13.510 1.103 -1.489 1.00 0.00 C ATOM 693 O CYS A 45 12.798 1.632 -2.307 1.00 0.00 O ATOM 694 CB CYS A 45 14.846 2.160 0.328 1.00 0.00 C ATOM 695 SG CYS A 45 13.414 3.240 0.584 1.00 0.00 S ATOM 0 H CYS A 45 14.242 3.450 -2.148 1.00 0.00 H new ATOM 0 HA CYS A 45 15.621 0.939 -1.317 1.00 0.00 H new ATOM 0 HB2 CYS A 45 14.793 1.300 0.996 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.767 2.692 0.566 1.00 0.00 H new ATOM 700 N LYS A 46 13.140 0.010 -0.885 1.00 0.00 N ATOM 701 CA LYS A 46 11.827 -0.609 -1.222 1.00 0.00 C ATOM 702 C LYS A 46 10.732 -0.150 -0.257 1.00 0.00 C ATOM 703 O LYS A 46 10.994 0.519 0.722 1.00 0.00 O ATOM 704 CB LYS A 46 12.081 -2.106 -1.108 1.00 0.00 C ATOM 705 CG LYS A 46 12.422 -2.663 -2.489 1.00 0.00 C ATOM 706 CD LYS A 46 13.604 -3.636 -2.384 1.00 0.00 C ATOM 707 CE LYS A 46 13.382 -4.619 -1.230 1.00 0.00 C ATOM 708 NZ LYS A 46 14.687 -5.319 -1.068 1.00 0.00 N ATOM 0 H LYS A 46 13.686 -0.480 -0.176 1.00 0.00 H new ATOM 0 HA LYS A 46 11.474 -0.324 -2.213 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.899 -2.297 -0.413 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.200 -2.607 -0.708 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.555 -3.174 -2.908 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.671 -1.847 -3.168 1.00 0.00 H new ATOM 0 HD2 LYS A 46 13.718 -4.183 -3.320 1.00 0.00 H new ATOM 0 HD3 LYS A 46 14.528 -3.080 -2.225 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.097 -4.098 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.582 -5.323 -1.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 14.616 -6.011 -0.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.929 -5.811 -1.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.428 -4.624 -0.845 1.00 0.00 H new ATOM 722 N ILE A 47 9.497 -0.463 -0.560 1.00 0.00 N ATOM 723 CA ILE A 47 8.377 0.005 0.306 1.00 0.00 C ATOM 724 C ILE A 47 7.524 -1.156 0.837 1.00 0.00 C ATOM 725 O ILE A 47 7.077 -1.997 0.082 1.00 0.00 O ATOM 726 CB ILE A 47 7.539 0.876 -0.628 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.475 1.731 -1.483 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.619 1.779 0.193 1.00 0.00 C ATOM 729 CD1 ILE A 47 9.323 2.610 -0.567 1.00 0.00 C ATOM 0 H ILE A 47 9.219 -1.021 -1.367 1.00 0.00 H new ATOM 0 HA ILE A 47 8.745 0.527 1.189 1.00 0.00 H new ATOM 0 HB ILE A 47 6.929 0.243 -1.272 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.116 1.093 -2.092 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.897 2.350 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.024 2.398 -0.478 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.957 1.165 0.804 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.220 2.419 0.840 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.993 3.223 -1.169 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.672 3.256 0.022 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.910 1.980 0.101 1.00 0.00 H new ATOM 741 N PRO A 48 7.304 -1.134 2.126 1.00 0.00 N ATOM 742 CA PRO A 48 6.463 -2.168 2.792 1.00 0.00 C ATOM 743 C PRO A 48 5.015 -2.096 2.293 1.00 0.00 C ATOM 744 O PRO A 48 4.484 -1.031 2.048 1.00 0.00 O ATOM 745 CB PRO A 48 6.518 -1.776 4.268 1.00 0.00 C ATOM 746 CG PRO A 48 7.723 -0.906 4.390 1.00 0.00 C ATOM 747 CD PRO A 48 7.819 -0.164 3.091 1.00 0.00 C ATOM 0 HA PRO A 48 6.813 -3.182 2.595 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.615 -1.245 4.569 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.599 -2.655 4.907 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.625 -0.217 5.229 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.619 -1.500 4.569 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.225 0.750 3.102 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.845 0.126 2.865 1.00 0.00 H new ATOM 755 N PHE A 49 4.374 -3.222 2.146 1.00 0.00 N ATOM 756 CA PHE A 49 2.964 -3.228 1.669 1.00 0.00 C ATOM 757 C PHE A 49 2.228 -4.468 2.186 1.00 0.00 C ATOM 758 O PHE A 49 2.837 -5.439 2.590 1.00 0.00 O ATOM 759 CB PHE A 49 3.087 -3.296 0.158 1.00 0.00 C ATOM 760 CG PHE A 49 1.811 -2.784 -0.478 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.599 -1.407 -0.614 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.837 -3.688 -0.927 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.419 -0.932 -1.197 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.344 -3.210 -1.509 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.553 -1.833 -1.644 1.00 0.00 C ATOM 0 H PHE A 49 4.769 -4.143 2.337 1.00 0.00 H new ATOM 0 HA PHE A 49 2.404 -2.359 2.014 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.936 -2.700 -0.175 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.276 -4.323 -0.156 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.348 -0.710 -0.268 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.997 -4.751 -0.824 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.259 0.131 -1.302 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.095 -3.906 -1.854 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.464 -1.466 -2.093 1.00 0.00 H new ATOM 775 N GLU A 50 0.922 -4.451 2.164 1.00 0.00 N ATOM 776 CA GLU A 50 0.157 -5.640 2.640 1.00 0.00 C ATOM 777 C GLU A 50 -1.351 -5.377 2.553 1.00 0.00 C ATOM 778 O GLU A 50 -1.965 -4.904 3.487 1.00 0.00 O ATOM 779 CB GLU A 50 0.593 -5.840 4.093 1.00 0.00 C ATOM 780 CG GLU A 50 -0.330 -6.854 4.769 1.00 0.00 C ATOM 781 CD GLU A 50 0.058 -6.997 6.243 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.240 -6.917 6.534 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.833 -7.182 7.055 1.00 0.00 O ATOM 0 H GLU A 50 0.354 -3.669 1.839 1.00 0.00 H new ATOM 0 HA GLU A 50 0.353 -6.525 2.034 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.624 -6.191 4.129 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.561 -4.890 4.627 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.367 -6.530 4.685 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.256 -7.819 4.268 1.00 0.00 H new ATOM 790 N ILE A 51 -1.952 -5.683 1.434 1.00 0.00 N ATOM 791 CA ILE A 51 -3.420 -5.452 1.289 1.00 0.00 C ATOM 792 C ILE A 51 -4.184 -6.281 2.324 1.00 0.00 C ATOM 793 O ILE A 51 -5.012 -5.771 3.053 1.00 0.00 O ATOM 794 CB ILE A 51 -3.761 -5.916 -0.131 1.00 0.00 C ATOM 795 CG1 ILE A 51 -3.294 -4.859 -1.134 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.274 -6.101 -0.257 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.780 -5.544 -2.401 1.00 0.00 C ATOM 0 H ILE A 51 -1.492 -6.082 0.616 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.693 -4.409 1.449 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.260 -6.862 -0.336 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.117 -4.188 -1.380 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -2.506 -4.249 -0.693 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.517 -6.431 -1.267 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.610 -6.850 0.460 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.774 -5.154 -0.054 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.448 -4.789 -3.114 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.944 -6.197 -2.148 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -3.581 -6.135 -2.845 1.00 0.00 H new ATOM 970 N GLY A 61 -5.369 -10.404 -2.269 1.00 0.00 N ATOM 971 CA GLY A 61 -4.826 -9.169 -2.902 1.00 0.00 C ATOM 972 C GLY A 61 -3.415 -9.436 -3.424 1.00 0.00 C ATOM 973 O GLY A 61 -2.732 -10.335 -2.975 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.473 -8.853 -3.720 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.808 -8.355 -2.177 1.00 0.00 H new ATOM 977 N ARG A 62 -2.975 -8.657 -4.372 1.00 0.00 N ATOM 978 CA ARG A 62 -1.609 -8.853 -4.934 1.00 0.00 C ATOM 979 C ARG A 62 -0.952 -7.502 -5.189 1.00 0.00 C ATOM 980 O ARG A 62 -1.594 -6.472 -5.165 1.00 0.00 O ATOM 981 CB ARG A 62 -1.826 -9.589 -6.255 1.00 0.00 C ATOM 982 CG ARG A 62 -0.998 -10.874 -6.263 1.00 0.00 C ATOM 983 CD ARG A 62 -0.283 -11.015 -7.608 1.00 0.00 C ATOM 984 NE ARG A 62 -1.234 -11.768 -8.473 1.00 0.00 N ATOM 985 CZ ARG A 62 -0.810 -12.345 -9.566 1.00 0.00 C ATOM 986 NH1 ARG A 62 0.448 -12.264 -9.906 1.00 0.00 N ATOM 987 NH2 ARG A 62 -1.648 -13.002 -10.321 1.00 0.00 N ATOM 0 H ARG A 62 -3.505 -7.889 -4.784 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.960 -9.408 -4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.883 -9.824 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.537 -8.952 -7.091 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.269 -10.854 -5.453 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.643 -11.735 -6.091 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -0.049 -10.040 -8.035 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.660 -11.550 -7.499 1.00 0.00 H new ATOM 0 HE ARG A 62 -2.218 -11.833 -8.212 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.103 -11.749 -9.318 1.00 0.00 H new ATOM 0 HH12 ARG A 62 0.776 -12.716 -10.760 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -2.631 -13.064 -10.057 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -1.319 -13.453 -11.175 1.00 0.00 H new ATOM 1001 N LEU A 63 0.322 -7.499 -5.440 1.00 0.00 N ATOM 1002 CA LEU A 63 1.017 -6.222 -5.709 1.00 0.00 C ATOM 1003 C LEU A 63 1.575 -6.251 -7.134 1.00 0.00 C ATOM 1004 O LEU A 63 2.376 -7.097 -7.474 1.00 0.00 O ATOM 1005 CB LEU A 63 2.137 -6.160 -4.666 1.00 0.00 C ATOM 1006 CG LEU A 63 2.377 -4.709 -4.258 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.873 -3.924 -5.465 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.073 -4.089 -3.766 1.00 0.00 C ATOM 0 H LEU A 63 0.912 -8.330 -5.470 1.00 0.00 H new ATOM 0 HA LEU A 63 0.368 -5.349 -5.638 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.868 -6.754 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.052 -6.590 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 63 3.119 -4.678 -3.460 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.046 -2.887 -5.178 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.804 -4.361 -5.825 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.124 -3.962 -6.256 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.249 -3.053 -3.476 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.331 -4.121 -4.564 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.705 -4.649 -2.906 1.00 0.00 H new ATOM 1020 N ILE A 64 1.170 -5.332 -7.968 1.00 0.00 N ATOM 1021 CA ILE A 64 1.698 -5.317 -9.362 1.00 0.00 C ATOM 1022 C ILE A 64 3.048 -4.632 -9.321 1.00 0.00 C ATOM 1023 O ILE A 64 3.956 -4.929 -10.072 1.00 0.00 O ATOM 1024 CB ILE A 64 0.690 -4.504 -10.174 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.506 -5.390 -10.530 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.350 -4.003 -11.460 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -1.022 -6.090 -9.272 1.00 0.00 C ATOM 0 H ILE A 64 0.500 -4.595 -7.746 1.00 0.00 H new ATOM 0 HA ILE A 64 1.822 -6.307 -9.800 1.00 0.00 H new ATOM 0 HB ILE A 64 0.353 -3.651 -9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.298 -4.787 -10.973 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.214 -6.130 -11.275 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.629 -3.424 -12.037 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.204 -3.374 -11.209 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.688 -4.854 -12.051 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.874 -6.720 -9.529 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.230 -6.707 -8.848 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.331 -5.343 -8.541 1.00 0.00 H new ATOM 1039 N THR A 65 3.177 -3.738 -8.394 1.00 0.00 N ATOM 1040 CA THR A 65 4.446 -3.016 -8.192 1.00 0.00 C ATOM 1041 C THR A 65 5.180 -3.729 -7.051 1.00 0.00 C ATOM 1042 O THR A 65 5.814 -3.128 -6.209 1.00 0.00 O ATOM 1043 CB THR A 65 3.982 -1.605 -7.818 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.688 -0.879 -9.003 1.00 0.00 O ATOM 1045 CG2 THR A 65 5.060 -0.874 -7.038 1.00 0.00 C ATOM 0 H THR A 65 2.432 -3.472 -7.750 1.00 0.00 H new ATOM 0 HA THR A 65 5.129 -2.982 -9.041 1.00 0.00 H new ATOM 0 HB THR A 65 3.092 -1.684 -7.194 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.544 0.065 -8.781 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.709 0.126 -6.783 1.00 0.00 H new ATOM 0 HG22 THR A 65 5.284 -1.424 -6.124 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.961 -0.798 -7.646 1.00 0.00 H new ATOM 1053 N VAL A 66 5.047 -5.034 -7.031 1.00 0.00 N ATOM 1054 CA VAL A 66 5.668 -5.879 -5.967 1.00 0.00 C ATOM 1055 C VAL A 66 6.939 -5.241 -5.427 1.00 0.00 C ATOM 1056 O VAL A 66 7.892 -5.018 -6.146 1.00 0.00 O ATOM 1057 CB VAL A 66 5.991 -7.212 -6.650 1.00 0.00 C ATOM 1058 CG1 VAL A 66 6.983 -8.003 -5.794 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.706 -8.032 -6.819 1.00 0.00 C ATOM 0 H VAL A 66 4.519 -5.560 -7.728 1.00 0.00 H new ATOM 0 HA VAL A 66 4.999 -6.001 -5.115 1.00 0.00 H new ATOM 0 HB VAL A 66 6.429 -7.014 -7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.211 -8.950 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.901 -7.427 -5.674 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.545 -8.196 -4.815 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.940 -8.979 -7.305 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.266 -8.225 -5.840 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.997 -7.475 -7.432 1.00 0.00 H new ATOM 1069 N ASN A 67 6.964 -4.958 -4.160 1.00 0.00 N ATOM 1070 CA ASN A 67 8.180 -4.351 -3.575 1.00 0.00 C ATOM 1071 C ASN A 67 8.483 -3.019 -4.265 1.00 0.00 C ATOM 1072 O ASN A 67 9.451 -2.902 -4.991 1.00 0.00 O ATOM 1073 CB ASN A 67 9.276 -5.378 -3.856 1.00 0.00 C ATOM 1074 CG ASN A 67 10.427 -5.192 -2.872 1.00 0.00 C ATOM 1075 OD1 ASN A 67 11.578 -5.228 -3.259 1.00 0.00 O ATOM 1076 ND2 ASN A 67 10.166 -4.997 -1.608 1.00 0.00 N ATOM 0 H ASN A 67 6.197 -5.121 -3.507 1.00 0.00 H new ATOM 0 HA ASN A 67 8.084 -4.132 -2.512 1.00 0.00 H new ATOM 0 HB2 ASN A 67 8.872 -6.387 -3.770 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.638 -5.266 -4.878 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.929 -4.874 -0.943 1.00 0.00 H new ATOM 0 HD22 ASN A 67 9.199 -4.967 -1.286 1.00 0.00 H new ATOM 1083 N PRO A 68 7.634 -2.058 -4.018 1.00 0.00 N ATOM 1084 CA PRO A 68 7.810 -0.721 -4.628 1.00 0.00 C ATOM 1085 C PRO A 68 9.085 -0.078 -4.091 1.00 0.00 C ATOM 1086 O PRO A 68 9.703 -0.594 -3.182 1.00 0.00 O ATOM 1087 CB PRO A 68 6.577 0.073 -4.195 1.00 0.00 C ATOM 1088 CG PRO A 68 5.662 -0.899 -3.506 1.00 0.00 C ATOM 1089 CD PRO A 68 6.457 -2.129 -3.156 1.00 0.00 C ATOM 0 HA PRO A 68 7.903 -0.760 -5.713 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.855 0.886 -3.524 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.085 0.525 -5.056 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.240 -0.451 -2.606 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.826 -1.159 -4.155 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.736 -2.135 -2.102 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.884 -3.038 -3.340 1.00 0.00 H new ATOM 1097 N ILE A 69 9.499 1.033 -4.645 1.00 0.00 N ATOM 1098 CA ILE A 69 10.755 1.663 -4.149 1.00 0.00 C ATOM 1099 C ILE A 69 10.698 3.192 -4.204 1.00 0.00 C ATOM 1100 O ILE A 69 10.228 3.775 -5.161 1.00 0.00 O ATOM 1101 CB ILE A 69 11.840 1.172 -5.111 1.00 0.00 C ATOM 1102 CG1 ILE A 69 11.989 -0.357 -4.985 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.168 1.883 -4.795 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.470 -0.761 -5.014 1.00 0.00 C ATOM 0 H ILE A 69 9.030 1.523 -5.407 1.00 0.00 H new ATOM 0 HA ILE A 69 10.934 1.396 -3.107 1.00 0.00 H new ATOM 0 HB ILE A 69 11.559 1.407 -6.138 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.532 -0.697 -4.055 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.457 -0.848 -5.800 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.940 1.533 -5.480 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.041 2.959 -4.911 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.465 1.661 -3.770 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.554 -1.844 -4.924 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.916 -0.440 -5.955 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.993 -0.286 -4.184 1.00 0.00 H new ATOM 1116 N VAL A 70 11.243 3.841 -3.209 1.00 0.00 N ATOM 1117 CA VAL A 70 11.299 5.334 -3.234 1.00 0.00 C ATOM 1118 C VAL A 70 12.644 5.724 -3.841 1.00 0.00 C ATOM 1119 O VAL A 70 13.526 4.899 -3.953 1.00 0.00 O ATOM 1120 CB VAL A 70 11.222 5.805 -1.778 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.187 7.334 -1.735 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.953 5.264 -1.121 1.00 0.00 C ATOM 0 H VAL A 70 11.651 3.404 -2.382 1.00 0.00 H new ATOM 0 HA VAL A 70 10.490 5.779 -3.814 1.00 0.00 H new ATOM 0 HB VAL A 70 12.097 5.437 -1.242 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.132 7.668 -0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.091 7.732 -2.197 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.313 7.693 -2.279 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.906 5.603 -0.086 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.080 5.628 -1.662 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.967 4.174 -1.145 1.00 0.00 H new ATOM 1132 N THR A 71 12.826 6.952 -4.235 1.00 0.00 N ATOM 1133 CA THR A 71 14.141 7.329 -4.827 1.00 0.00 C ATOM 1134 C THR A 71 14.832 8.407 -3.992 1.00 0.00 C ATOM 1135 O THR A 71 16.039 8.544 -4.024 1.00 0.00 O ATOM 1136 CB THR A 71 13.823 7.859 -6.223 1.00 0.00 C ATOM 1137 OG1 THR A 71 12.776 7.089 -6.796 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.076 7.755 -7.093 1.00 0.00 C ATOM 0 H THR A 71 12.136 7.700 -4.175 1.00 0.00 H new ATOM 0 HA THR A 71 14.821 6.478 -4.858 1.00 0.00 H new ATOM 0 HB THR A 71 13.507 8.900 -6.160 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.571 7.431 -7.691 1.00 0.00 H new ATOM 0 HG21 THR A 71 14.857 8.132 -8.092 1.00 0.00 H new ATOM 0 HG22 THR A 71 15.877 8.346 -6.649 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.388 6.713 -7.158 1.00 0.00 H new ATOM 1146 N GLU A 72 14.090 9.177 -3.248 1.00 0.00 N ATOM 1147 CA GLU A 72 14.735 10.240 -2.427 1.00 0.00 C ATOM 1148 C GLU A 72 14.223 10.197 -0.989 1.00 0.00 C ATOM 1149 O GLU A 72 14.425 11.117 -0.223 1.00 0.00 O ATOM 1150 CB GLU A 72 14.340 11.552 -3.102 1.00 0.00 C ATOM 1151 CG GLU A 72 14.961 11.613 -4.498 1.00 0.00 C ATOM 1152 CD GLU A 72 15.759 12.910 -4.646 1.00 0.00 C ATOM 1153 OE1 GLU A 72 15.199 13.961 -4.378 1.00 0.00 O ATOM 1154 OE2 GLU A 72 16.915 12.830 -5.026 1.00 0.00 O ATOM 0 H GLU A 72 13.075 9.119 -3.172 1.00 0.00 H new ATOM 0 HA GLU A 72 15.817 10.116 -2.373 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.255 11.626 -3.171 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.679 12.398 -2.504 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.612 10.753 -4.656 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.180 11.565 -5.257 1.00 0.00 H new ATOM 1161 N LYS A 73 13.562 9.132 -0.622 1.00 0.00 N ATOM 1162 CA LYS A 73 13.023 9.000 0.767 1.00 0.00 C ATOM 1163 C LYS A 73 11.786 9.882 0.964 1.00 0.00 C ATOM 1164 O LYS A 73 11.096 9.772 1.955 1.00 0.00 O ATOM 1165 CB LYS A 73 14.153 9.444 1.700 1.00 0.00 C ATOM 1166 CG LYS A 73 13.892 8.907 3.109 1.00 0.00 C ATOM 1167 CD LYS A 73 14.537 9.839 4.139 1.00 0.00 C ATOM 1168 CE LYS A 73 14.011 11.263 3.943 1.00 0.00 C ATOM 1169 NZ LYS A 73 14.321 11.966 5.219 1.00 0.00 N ATOM 0 H LYS A 73 13.369 8.337 -1.232 1.00 0.00 H new ATOM 0 HA LYS A 73 12.711 7.976 0.972 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.110 9.076 1.330 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.216 10.532 1.720 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.819 8.835 3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.300 7.901 3.208 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.313 9.493 5.148 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.621 9.823 4.030 1.00 0.00 H new ATOM 0 HE2 LYS A 73 14.495 11.750 3.096 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.940 11.264 3.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 13.990 12.950 5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.841 11.484 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.348 11.955 5.381 1.00 0.00 H new ATOM 1183 N ASP A 74 11.498 10.754 0.040 1.00 0.00 N ATOM 1184 CA ASP A 74 10.306 11.629 0.196 1.00 0.00 C ATOM 1185 C ASP A 74 9.504 11.673 -1.106 1.00 0.00 C ATOM 1186 O ASP A 74 8.455 12.279 -1.176 1.00 0.00 O ATOM 1187 CB ASP A 74 10.875 13.008 0.523 1.00 0.00 C ATOM 1188 CG ASP A 74 9.810 13.848 1.229 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.686 13.865 0.753 1.00 0.00 O ATOM 1190 OD2 ASP A 74 10.133 14.461 2.233 1.00 0.00 O ATOM 0 H ASP A 74 12.036 10.898 -0.815 1.00 0.00 H new ATOM 0 HA ASP A 74 9.628 11.271 0.970 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.755 12.908 1.159 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.198 13.506 -0.392 1.00 0.00 H new ATOM 1195 N SER A 75 9.983 11.030 -2.136 1.00 0.00 N ATOM 1196 CA SER A 75 9.235 11.034 -3.422 1.00 0.00 C ATOM 1197 C SER A 75 7.999 10.144 -3.290 1.00 0.00 C ATOM 1198 O SER A 75 8.114 8.943 -3.149 1.00 0.00 O ATOM 1199 CB SER A 75 10.210 10.456 -4.447 1.00 0.00 C ATOM 1200 OG SER A 75 9.686 10.647 -5.755 1.00 0.00 O ATOM 0 H SER A 75 10.857 10.504 -2.141 1.00 0.00 H new ATOM 0 HA SER A 75 8.892 12.028 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.181 10.943 -4.357 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.367 9.394 -4.258 1.00 0.00 H new ATOM 0 HG SER A 75 10.310 10.279 -6.415 1.00 0.00 H new ATOM 1206 N PRO A 76 6.852 10.765 -3.328 1.00 0.00 N ATOM 1207 CA PRO A 76 5.586 10.012 -3.196 1.00 0.00 C ATOM 1208 C PRO A 76 5.571 8.841 -4.182 1.00 0.00 C ATOM 1209 O PRO A 76 5.508 9.025 -5.381 1.00 0.00 O ATOM 1210 CB PRO A 76 4.508 11.036 -3.542 1.00 0.00 C ATOM 1211 CG PRO A 76 5.144 12.373 -3.319 1.00 0.00 C ATOM 1212 CD PRO A 76 6.631 12.204 -3.502 1.00 0.00 C ATOM 0 HA PRO A 76 5.441 9.583 -2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.178 10.925 -4.575 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.628 10.909 -2.911 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.752 13.106 -4.024 1.00 0.00 H new ATOM 0 HG3 PRO A 76 4.920 12.742 -2.318 1.00 0.00 H new ATOM 0 HD2 PRO A 76 6.952 12.540 -4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.191 12.785 -2.769 1.00 0.00 H new ATOM 1220 N VAL A 77 5.636 7.639 -3.683 1.00 0.00 N ATOM 1221 CA VAL A 77 5.635 6.453 -4.589 1.00 0.00 C ATOM 1222 C VAL A 77 4.226 5.874 -4.740 1.00 0.00 C ATOM 1223 O VAL A 77 3.444 5.859 -3.810 1.00 0.00 O ATOM 1224 CB VAL A 77 6.553 5.441 -3.922 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.581 4.175 -4.770 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.961 6.023 -3.836 1.00 0.00 C ATOM 0 H VAL A 77 5.690 7.424 -2.687 1.00 0.00 H new ATOM 0 HA VAL A 77 5.970 6.717 -5.592 1.00 0.00 H new ATOM 0 HB VAL A 77 6.193 5.210 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.236 3.439 -4.304 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.573 3.767 -4.847 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.954 4.413 -5.766 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.624 5.302 -3.358 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.326 6.243 -4.839 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.940 6.941 -3.249 1.00 0.00 H new ATOM 1236 N ASN A 78 3.906 5.389 -5.909 1.00 0.00 N ATOM 1237 CA ASN A 78 2.557 4.795 -6.138 1.00 0.00 C ATOM 1238 C ASN A 78 2.651 3.269 -6.062 1.00 0.00 C ATOM 1239 O ASN A 78 3.499 2.677 -6.699 1.00 0.00 O ATOM 1240 CB ASN A 78 2.179 5.218 -7.558 1.00 0.00 C ATOM 1241 CG ASN A 78 2.530 6.692 -7.771 1.00 0.00 C ATOM 1242 OD1 ASN A 78 3.691 7.051 -7.817 1.00 0.00 O ATOM 1243 ND2 ASN A 78 1.571 7.566 -7.905 1.00 0.00 N ATOM 0 H ASN A 78 4.524 5.379 -6.720 1.00 0.00 H new ATOM 0 HA ASN A 78 1.825 5.123 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.708 4.600 -8.284 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.113 5.061 -7.722 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.795 8.551 -8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 78 0.597 7.265 -7.866 1.00 0.00 H new ATOM 1250 N ILE A 79 1.805 2.606 -5.312 1.00 0.00 N ATOM 1251 CA ILE A 79 1.923 1.121 -5.273 1.00 0.00 C ATOM 1252 C ILE A 79 0.751 0.463 -5.992 1.00 0.00 C ATOM 1253 O ILE A 79 -0.391 0.570 -5.592 1.00 0.00 O ATOM 1254 CB ILE A 79 1.949 0.720 -3.804 1.00 0.00 C ATOM 1255 CG1 ILE A 79 3.067 1.493 -3.084 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.215 -0.785 -3.735 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.402 0.820 -1.750 1.00 0.00 C ATOM 0 H ILE A 79 1.063 3.014 -4.744 1.00 0.00 H new ATOM 0 HA ILE A 79 2.829 0.792 -5.782 1.00 0.00 H new ATOM 0 HB ILE A 79 1.001 0.954 -3.320 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.956 1.531 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.754 2.523 -2.911 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.239 -1.103 -2.693 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.422 -1.319 -4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.173 -1.007 -4.204 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.195 1.377 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.515 0.805 -1.117 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.735 -0.202 -1.932 1.00 0.00 H new ATOM 1269 N GLU A 80 1.048 -0.228 -7.050 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.007 -0.925 -7.828 1.00 0.00 C ATOM 1271 C GLU A 80 -0.305 -2.284 -7.195 1.00 0.00 C ATOM 1272 O GLU A 80 0.552 -3.141 -7.123 1.00 0.00 O ATOM 1273 CB GLU A 80 0.595 -1.103 -9.222 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.503 -1.517 -10.198 1.00 0.00 C ATOM 1275 CD GLU A 80 -0.868 -0.330 -11.091 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -0.874 0.783 -10.591 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -1.134 -0.554 -12.260 1.00 0.00 O ATOM 0 H GLU A 80 1.993 -0.342 -7.416 1.00 0.00 H new ATOM 0 HA GLU A 80 -0.946 -0.372 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.059 -0.173 -9.552 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.380 -1.859 -9.198 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.165 -2.354 -10.809 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.382 -1.857 -9.650 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.505 -2.493 -6.725 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.815 -3.809 -6.092 1.00 0.00 C ATOM 1286 C ALA A 81 -3.171 -4.342 -6.557 1.00 0.00 C ATOM 1287 O ALA A 81 -4.087 -3.598 -6.831 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.814 -3.541 -4.583 1.00 0.00 C ATOM 0 H ALA A 81 -2.273 -1.823 -6.750 1.00 0.00 H new ATOM 0 HA ALA A 81 -1.085 -4.570 -6.368 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.035 -4.465 -4.049 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.834 -3.172 -4.280 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.572 -2.795 -4.346 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.291 -5.637 -6.662 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.575 -6.242 -7.120 1.00 0.00 C ATOM 1296 C GLU A 82 -5.318 -6.890 -5.947 1.00 0.00 C ATOM 1297 O GLU A 82 -5.171 -8.071 -5.699 1.00 0.00 O ATOM 1298 CB GLU A 82 -4.156 -7.309 -8.129 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.382 -8.115 -8.564 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.049 -8.910 -9.827 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.084 -9.656 -9.798 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.765 -8.760 -10.804 1.00 0.00 O ATOM 0 H GLU A 82 -2.551 -6.306 -6.449 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.249 -5.500 -7.547 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.690 -6.841 -8.996 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.412 -7.971 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.687 -8.792 -7.766 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.221 -7.446 -8.753 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.098 -6.097 -5.266 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.880 -6.605 -4.111 1.00 0.00 C ATOM 1311 C PRO A 83 -8.073 -7.431 -4.598 1.00 0.00 C ATOM 1312 O PRO A 83 -8.490 -7.309 -5.733 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.358 -5.334 -3.420 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.397 -4.303 -4.501 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.326 -4.666 -5.499 1.00 0.00 C ATOM 0 HA PRO A 83 -6.302 -7.255 -3.455 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.341 -5.474 -2.971 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -6.680 -5.041 -2.618 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.377 -4.282 -4.978 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.221 -3.308 -4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.651 -4.474 -6.522 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.417 -4.085 -5.339 1.00 0.00 H new ATOM 1323 N PRO A 84 -8.590 -8.239 -3.715 1.00 0.00 N ATOM 1324 CA PRO A 84 -9.760 -9.086 -4.053 1.00 0.00 C ATOM 1325 C PRO A 84 -10.955 -8.204 -4.425 1.00 0.00 C ATOM 1326 O PRO A 84 -10.799 -7.062 -4.810 1.00 0.00 O ATOM 1327 CB PRO A 84 -10.039 -9.870 -2.769 1.00 0.00 C ATOM 1328 CG PRO A 84 -9.285 -9.162 -1.686 1.00 0.00 C ATOM 1329 CD PRO A 84 -8.140 -8.435 -2.337 1.00 0.00 C ATOM 0 HA PRO A 84 -9.580 -9.742 -4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.107 -9.895 -2.550 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -9.709 -10.905 -2.863 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.935 -8.462 -1.160 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -8.917 -9.873 -0.946 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.937 -7.485 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -7.220 -9.018 -2.296 1.00 0.00 H new ATOM 1387 N TYR A 89 -7.826 -3.702 2.247 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.100 -2.615 2.965 1.00 0.00 C ATOM 1389 C TYR A 89 -5.633 -2.600 2.531 1.00 0.00 C ATOM 1390 O TYR A 89 -4.848 -3.437 2.933 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.211 -2.955 4.453 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.622 -3.394 4.769 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.634 -2.439 4.924 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -8.918 -4.755 4.906 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -10.942 -2.845 5.217 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.225 -5.162 5.199 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.237 -4.207 5.355 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.526 -4.608 5.644 1.00 0.00 O ATOM 0 HA TYR A 89 -7.517 -1.632 2.749 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.507 -3.747 4.709 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.946 -2.086 5.056 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.406 -1.389 4.818 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -8.138 -5.492 4.786 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.723 -2.108 5.336 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.453 -6.212 5.305 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.559 -5.586 5.705 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.256 -1.658 1.712 1.00 0.00 N ATOM 1409 CA ILE A 90 -3.841 -1.595 1.252 1.00 0.00 C ATOM 1410 C ILE A 90 -2.948 -1.082 2.383 1.00 0.00 C ATOM 1411 O ILE A 90 -2.981 0.081 2.734 1.00 0.00 O ATOM 1412 CB ILE A 90 -3.851 -0.610 0.082 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.423 -1.300 -1.159 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.423 -0.141 -0.209 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.924 -1.022 -1.249 1.00 0.00 C ATOM 0 H ILE A 90 -5.866 -0.929 1.342 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.453 -2.570 0.957 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.468 0.251 0.339 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.920 -0.936 -2.055 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.243 -2.374 -1.107 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.433 0.561 -1.043 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.015 0.351 0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.803 -1.000 -0.465 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.333 -1.513 -2.132 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.419 -1.407 -0.358 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.091 0.053 -1.321 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.149 -1.939 2.955 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.258 -1.497 4.063 1.00 0.00 C ATOM 1429 C ILE A 91 0.073 -1.002 3.499 1.00 0.00 C ATOM 1430 O ILE A 91 0.592 -1.543 2.541 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.042 -2.739 4.920 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.379 -3.189 5.514 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.067 -2.413 6.049 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.226 -4.588 6.114 1.00 0.00 C ATOM 0 H ILE A 91 -2.075 -2.925 2.704 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.689 -0.677 4.637 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.632 -3.539 4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.703 -2.486 6.281 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.148 -3.195 4.742 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.089 -3.300 6.663 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.885 -2.093 5.626 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.478 -1.613 6.665 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.178 -4.909 6.537 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.921 -5.287 5.335 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.469 -4.567 6.898 1.00 0.00 H new ATOM 1446 N ILE A 92 0.626 0.026 4.081 1.00 0.00 N ATOM 1447 CA ILE A 92 1.921 0.563 3.574 1.00 0.00 C ATOM 1448 C ILE A 92 2.885 0.801 4.740 1.00 0.00 C ATOM 1449 O ILE A 92 2.492 1.253 5.795 1.00 0.00 O ATOM 1450 CB ILE A 92 1.538 1.884 2.896 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.264 1.629 1.416 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.668 2.910 3.031 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.245 2.648 0.915 1.00 0.00 C ATOM 0 H ILE A 92 0.238 0.518 4.886 1.00 0.00 H new ATOM 0 HA ILE A 92 2.428 -0.118 2.890 1.00 0.00 H new ATOM 0 HB ILE A 92 0.646 2.280 3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.188 1.708 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.886 0.617 1.272 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.375 3.840 2.543 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.863 3.100 4.086 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.571 2.521 2.560 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.044 2.472 -0.142 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.680 2.546 1.482 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.642 3.655 1.046 1.00 0.00 H new ATOM 1465 N GLY A 93 4.143 0.513 4.561 1.00 0.00 N ATOM 1466 CA GLY A 93 5.103 0.744 5.668 1.00 0.00 C ATOM 1467 C GLY A 93 5.016 -0.415 6.651 1.00 0.00 C ATOM 1468 O GLY A 93 4.616 -1.509 6.306 1.00 0.00 O ATOM 0 H GLY A 93 4.543 0.131 3.704 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.116 0.829 5.276 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.876 1.683 6.173 1.00 0.00 H new ATOM 1472 N VAL A 94 5.391 -0.194 7.874 1.00 0.00 N ATOM 1473 CA VAL A 94 5.335 -1.304 8.865 1.00 0.00 C ATOM 1474 C VAL A 94 4.625 -0.866 10.148 1.00 0.00 C ATOM 1475 O VAL A 94 4.581 0.303 10.479 1.00 0.00 O ATOM 1476 CB VAL A 94 6.797 -1.665 9.139 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.234 -2.725 8.127 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.683 -0.423 8.983 1.00 0.00 C ATOM 0 H VAL A 94 5.732 0.698 8.232 1.00 0.00 H new ATOM 0 HA VAL A 94 4.769 -2.156 8.488 1.00 0.00 H new ATOM 0 HB VAL A 94 6.896 -2.045 10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.275 -2.994 8.308 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.607 -3.610 8.233 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.133 -2.328 7.117 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.721 -0.690 9.180 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.594 -0.038 7.967 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.365 0.342 9.691 1.00 0.00 H new ATOM 1488 N GLU A 95 4.064 -1.816 10.859 1.00 0.00 N ATOM 1489 CA GLU A 95 3.333 -1.519 12.134 1.00 0.00 C ATOM 1490 C GLU A 95 3.886 -0.267 12.824 1.00 0.00 C ATOM 1491 O GLU A 95 3.145 0.654 13.104 1.00 0.00 O ATOM 1492 CB GLU A 95 3.562 -2.751 13.009 1.00 0.00 C ATOM 1493 CG GLU A 95 2.413 -3.741 12.807 1.00 0.00 C ATOM 1494 CD GLU A 95 1.447 -3.652 13.990 1.00 0.00 C ATOM 1495 OE1 GLU A 95 1.333 -2.577 14.557 1.00 0.00 O ATOM 1496 OE2 GLU A 95 0.839 -4.660 14.309 1.00 0.00 O ATOM 0 H GLU A 95 4.082 -2.804 10.604 1.00 0.00 H new ATOM 0 HA GLU A 95 2.277 -1.321 11.952 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.511 -3.222 12.752 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.625 -2.459 14.057 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.888 -3.520 11.878 1.00 0.00 H new ATOM 0 HG3 GLU A 95 2.804 -4.755 12.719 1.00 0.00 H new ATOM 1503 N PRO A 96 5.172 -0.274 13.073 1.00 0.00 N ATOM 1504 CA PRO A 96 5.828 0.878 13.729 1.00 0.00 C ATOM 1505 C PRO A 96 5.169 2.199 13.309 1.00 0.00 C ATOM 1506 O PRO A 96 5.121 3.147 14.065 1.00 0.00 O ATOM 1507 CB PRO A 96 7.260 0.778 13.215 1.00 0.00 C ATOM 1508 CG PRO A 96 7.486 -0.682 12.953 1.00 0.00 C ATOM 1509 CD PRO A 96 6.136 -1.340 12.778 1.00 0.00 C ATOM 0 HA PRO A 96 5.760 0.861 14.817 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.394 1.366 12.307 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.969 1.160 13.949 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.095 -0.819 12.060 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.028 -1.138 13.781 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.008 -1.723 11.765 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.014 -2.185 13.456 1.00 0.00 H new ATOM 1517 N GLY A 97 4.656 2.259 12.113 1.00 0.00 N ATOM 1518 CA GLY A 97 3.990 3.506 11.639 1.00 0.00 C ATOM 1519 C GLY A 97 3.508 3.280 10.208 1.00 0.00 C ATOM 1520 O GLY A 97 3.575 4.150 9.363 1.00 0.00 O ATOM 0 H GLY A 97 4.669 1.494 11.438 1.00 0.00 H new ATOM 0 HA2 GLY A 97 3.150 3.757 12.287 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.685 4.345 11.677 1.00 0.00 H new ATOM 1524 N GLN A 98 3.037 2.098 9.939 1.00 0.00 N ATOM 1525 CA GLN A 98 2.556 1.753 8.570 1.00 0.00 C ATOM 1526 C GLN A 98 1.225 2.456 8.264 1.00 0.00 C ATOM 1527 O GLN A 98 0.512 2.877 9.153 1.00 0.00 O ATOM 1528 CB GLN A 98 2.410 0.217 8.631 1.00 0.00 C ATOM 1529 CG GLN A 98 1.054 -0.261 8.087 1.00 0.00 C ATOM 1530 CD GLN A 98 0.785 -1.677 8.598 1.00 0.00 C ATOM 1531 OE1 GLN A 98 -0.312 -1.985 9.019 1.00 0.00 O ATOM 1532 NE2 GLN A 98 1.747 -2.559 8.577 1.00 0.00 N ATOM 0 H GLN A 98 2.963 1.342 10.619 1.00 0.00 H new ATOM 0 HA GLN A 98 3.227 2.074 7.773 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.213 -0.245 8.057 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.523 -0.116 9.663 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.260 0.413 8.409 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.060 -0.249 6.997 1.00 0.00 H new ATOM 0 HE21 GLN A 98 2.668 -2.301 8.223 1.00 0.00 H new ATOM 0 HE22 GLN A 98 1.577 -3.507 8.914 1.00 0.00 H new ATOM 1541 N LEU A 99 0.887 2.574 7.006 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.394 3.234 6.629 1.00 0.00 C ATOM 1543 C LEU A 99 -1.450 2.179 6.287 1.00 0.00 C ATOM 1544 O LEU A 99 -1.190 0.992 6.323 1.00 0.00 O ATOM 1545 CB LEU A 99 -0.062 4.066 5.392 1.00 0.00 C ATOM 1546 CG LEU A 99 0.309 5.485 5.813 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.898 6.225 4.615 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.944 6.220 6.298 1.00 0.00 C ATOM 0 H LEU A 99 1.447 2.239 6.222 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.796 3.843 7.438 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.764 3.610 4.846 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.917 4.088 4.716 1.00 0.00 H new ATOM 0 HG LEU A 99 1.041 5.447 6.620 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.165 7.240 4.910 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.789 5.702 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.162 6.262 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.678 7.233 6.598 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.677 6.261 5.492 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.370 5.689 7.149 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.637 2.604 5.949 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.711 1.627 5.600 1.00 0.00 C ATOM 1562 C LYS A 100 -4.771 2.290 4.718 1.00 0.00 C ATOM 1563 O LYS A 100 -5.208 3.394 4.974 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.316 1.209 6.936 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.260 -0.315 7.063 1.00 0.00 C ATOM 1566 CD LYS A 100 -5.156 -0.765 8.218 1.00 0.00 C ATOM 1567 CE LYS A 100 -4.307 -0.959 9.477 1.00 0.00 C ATOM 1568 NZ LYS A 100 -5.247 -0.733 10.611 1.00 0.00 N ATOM 0 H LYS A 100 -2.911 3.585 5.899 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.323 0.775 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.770 1.674 7.757 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.348 1.553 7.004 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.587 -0.780 6.133 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.234 -0.638 7.238 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -5.932 -0.022 8.401 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -5.660 -1.696 7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -3.877 -1.960 9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -3.476 -0.254 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -4.739 -0.848 11.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -5.635 0.230 10.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -6.024 -1.423 10.561 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.190 1.617 3.681 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.227 2.196 2.779 1.00 0.00 C ATOM 1584 C LEU A 101 -7.254 1.121 2.415 1.00 0.00 C ATOM 1585 O LEU A 101 -6.923 0.109 1.830 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.463 2.654 1.536 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.606 3.872 1.884 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.243 3.407 2.401 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.408 4.727 0.630 1.00 0.00 C ATOM 0 H LEU A 101 -4.858 0.689 3.419 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.772 3.018 3.243 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.832 1.846 1.166 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.162 2.904 0.738 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.105 4.460 2.654 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.632 4.275 2.649 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.381 2.794 3.292 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.743 2.820 1.631 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.797 5.596 0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.908 4.137 -0.138 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.378 5.058 0.258 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.493 1.324 2.766 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.532 0.302 2.450 1.00 0.00 C ATOM 1603 C ASN A 102 -10.131 0.545 1.063 1.00 0.00 C ATOM 1604 O ASN A 102 -10.512 1.651 0.728 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.599 0.475 3.531 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.377 1.767 3.279 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -10.926 2.840 3.629 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.535 1.712 2.681 1.00 0.00 N ATOM 0 H ASN A 102 -8.832 2.151 3.257 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.118 -0.706 2.437 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.278 -0.378 3.526 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.132 0.505 4.516 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.061 2.569 2.508 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.915 0.812 2.387 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.228 -0.478 0.252 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.815 -0.289 -1.108 1.00 0.00 C ATOM 1617 C TRP A 103 -12.172 -0.991 -1.202 1.00 0.00 C ATOM 1618 O TRP A 103 -12.295 -2.167 -0.920 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.813 -0.925 -2.072 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.963 -0.301 -3.422 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.046 -0.981 -4.590 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.050 1.113 -3.766 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.178 -0.074 -5.627 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.185 1.228 -5.170 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.024 2.294 -3.003 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.292 2.471 -5.795 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.131 3.547 -3.630 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.264 3.635 -5.022 1.00 0.00 C ATOM 0 H TRP A 103 -9.929 -1.428 0.471 1.00 0.00 H new ATOM 0 HA TRP A 103 -10.985 0.763 -1.338 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.797 -0.784 -1.704 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.983 -2.000 -2.134 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.014 -2.055 -4.695 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.260 -0.336 -6.609 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.921 2.238 -1.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.396 2.533 -6.868 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.111 4.448 -3.035 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.345 4.601 -5.497 1.00 0.00 H new