USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=13 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 46 LYS NZ :NH3+ -150:sc= -0.598 (180deg=0) USER MOD Set 1.2: A 67 ASN : amide:sc= -13.2! C(o=-14!,f=-18!) USER MOD Set 2.1: A 27 THR OG1 : rot -171:sc= 0.286 USER MOD Set 2.2: A 31 THR OG1 : rot -179:sc= -0.294! USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.0943 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 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= -0.251 K(o=-0.25,f=-1.8!) USER MOD Single : A 29 HIS : no HD1:sc= -0.245 X(o=-0.25,f=-0.44) USER MOD Single : A 37 GLN :FLIP amide:sc= -1.39 F(o=-2.3!,f=-1.4) USER MOD Single : A 38 TYR OH : rot 175:sc= -0.167 USER MOD Single : A 43 SER OG : rot 180:sc= -3.61! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 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= -0.477 X(o=-0.48,f=-0.29) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN :FLIP amide:sc= -5.42! C(o=-6.3!,f=-5.4!) USER MOD Single : A 100 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00894) USER MOD Single : A 102 ASN : amide:sc= -1.18 X(o=-1.2,f=-1) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.034 -0.214 2.951 1.00 0.00 N ATOM 216 CA CYS A 14 11.726 0.985 3.777 1.00 0.00 C ATOM 217 C CYS A 14 10.895 0.563 4.992 1.00 0.00 C ATOM 218 O CYS A 14 9.699 0.372 4.903 1.00 0.00 O ATOM 219 CB CYS A 14 10.939 1.918 2.846 1.00 0.00 C ATOM 220 SG CYS A 14 12.076 2.748 1.699 1.00 0.00 S ATOM 0 HA CYS A 14 12.616 1.482 4.163 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.197 1.347 2.287 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.396 2.659 3.433 1.00 0.00 H new ATOM 225 N THR A 15 11.527 0.384 6.123 1.00 0.00 N ATOM 226 CA THR A 15 10.780 -0.064 7.335 1.00 0.00 C ATOM 227 C THR A 15 10.365 1.114 8.224 1.00 0.00 C ATOM 228 O THR A 15 9.715 0.929 9.233 1.00 0.00 O ATOM 229 CB THR A 15 11.760 -0.970 8.082 1.00 0.00 C ATOM 230 OG1 THR A 15 13.060 -0.401 8.032 1.00 0.00 O ATOM 231 CG2 THR A 15 11.781 -2.353 7.426 1.00 0.00 C ATOM 0 H THR A 15 12.527 0.529 6.259 1.00 0.00 H new ATOM 0 HA THR A 15 9.854 -0.570 7.062 1.00 0.00 H new ATOM 0 HB THR A 15 11.445 -1.068 9.121 1.00 0.00 H new ATOM 0 HG1 THR A 15 13.689 -0.979 8.512 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.480 -2.998 7.959 1.00 0.00 H new ATOM 0 HG22 THR A 15 10.783 -2.789 7.465 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.096 -2.258 6.387 1.00 0.00 H new ATOM 239 N GLY A 16 10.719 2.319 7.878 1.00 0.00 N ATOM 240 CA GLY A 16 10.310 3.464 8.740 1.00 0.00 C ATOM 241 C GLY A 16 8.785 3.616 8.680 1.00 0.00 C ATOM 242 O GLY A 16 8.054 2.788 9.186 1.00 0.00 O ATOM 0 H GLY A 16 11.264 2.560 7.050 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.631 3.295 9.768 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.793 4.381 8.402 1.00 0.00 H new ATOM 246 N LYS A 17 8.295 4.662 8.068 1.00 0.00 N ATOM 247 CA LYS A 17 6.817 4.853 7.984 1.00 0.00 C ATOM 248 C LYS A 17 6.441 5.466 6.630 1.00 0.00 C ATOM 249 O LYS A 17 7.296 5.828 5.847 1.00 0.00 O ATOM 250 CB LYS A 17 6.487 5.822 9.116 1.00 0.00 C ATOM 251 CG LYS A 17 5.433 5.201 10.031 1.00 0.00 C ATOM 252 CD LYS A 17 4.321 6.218 10.297 1.00 0.00 C ATOM 253 CE LYS A 17 3.589 6.528 8.990 1.00 0.00 C ATOM 254 NZ LYS A 17 2.315 7.176 9.407 1.00 0.00 N ATOM 0 H LYS A 17 8.853 5.391 7.624 1.00 0.00 H new ATOM 0 HA LYS A 17 6.270 3.914 8.072 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.387 6.052 9.685 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.119 6.763 8.707 1.00 0.00 H new ATOM 0 HG2 LYS A 17 5.018 4.305 9.569 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.890 4.892 10.971 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.621 5.823 11.033 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.742 7.132 10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.179 7.189 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.401 5.620 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.757 7.419 8.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.772 6.521 10.005 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.525 8.042 9.944 1.00 0.00 H new ATOM 268 N PHE A 18 5.170 5.582 6.341 1.00 0.00 N ATOM 269 CA PHE A 18 4.765 6.168 5.030 1.00 0.00 C ATOM 270 C PHE A 18 3.657 7.209 5.196 1.00 0.00 C ATOM 271 O PHE A 18 2.847 7.138 6.098 1.00 0.00 O ATOM 272 CB PHE A 18 4.256 4.990 4.219 1.00 0.00 C ATOM 273 CG PHE A 18 5.428 4.274 3.612 1.00 0.00 C ATOM 274 CD1 PHE A 18 6.151 3.363 4.385 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.803 4.531 2.289 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.254 2.701 3.838 1.00 0.00 C ATOM 277 CE2 PHE A 18 6.906 3.868 1.740 1.00 0.00 C ATOM 278 CZ PHE A 18 7.633 2.953 2.515 1.00 0.00 C ATOM 0 H PHE A 18 4.402 5.299 6.950 1.00 0.00 H new ATOM 0 HA PHE A 18 5.598 6.684 4.552 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.688 4.311 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.579 5.335 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.858 3.170 5.406 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.244 5.238 1.694 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.813 1.996 4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.198 4.061 0.718 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.485 2.443 2.091 1.00 0.00 H new ATOM 288 N LYS A 19 3.614 8.168 4.312 1.00 0.00 N ATOM 289 CA LYS A 19 2.561 9.214 4.384 1.00 0.00 C ATOM 290 C LYS A 19 1.700 9.149 3.124 1.00 0.00 C ATOM 291 O LYS A 19 2.173 9.382 2.033 1.00 0.00 O ATOM 292 CB LYS A 19 3.328 10.532 4.427 1.00 0.00 C ATOM 293 CG LYS A 19 2.340 11.693 4.565 1.00 0.00 C ATOM 294 CD LYS A 19 3.055 13.011 4.262 1.00 0.00 C ATOM 295 CE LYS A 19 3.165 13.195 2.747 1.00 0.00 C ATOM 296 NZ LYS A 19 2.477 14.485 2.466 1.00 0.00 N ATOM 0 H LYS A 19 4.270 8.270 3.538 1.00 0.00 H new ATOM 0 HA LYS A 19 1.902 9.094 5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 19 4.025 10.532 5.265 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.920 10.650 3.520 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.503 11.555 3.880 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.927 11.715 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.506 13.844 4.701 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.048 13.010 4.712 1.00 0.00 H new ATOM 0 HE2 LYS A 19 4.207 13.225 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.692 12.371 2.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.510 14.681 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.486 14.424 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.954 15.252 2.982 1.00 0.00 H new ATOM 310 N VAL A 20 0.445 8.837 3.249 1.00 0.00 N ATOM 311 CA VAL A 20 -0.400 8.770 2.027 1.00 0.00 C ATOM 312 C VAL A 20 -0.395 10.135 1.339 1.00 0.00 C ATOM 313 O VAL A 20 -0.720 11.147 1.928 1.00 0.00 O ATOM 314 CB VAL A 20 -1.804 8.409 2.514 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.727 8.200 1.310 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.745 7.117 3.332 1.00 0.00 C ATOM 0 H VAL A 20 -0.028 8.628 4.128 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.038 8.037 1.306 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.189 9.219 3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.727 7.943 1.659 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.772 9.117 0.723 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.340 7.391 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.746 6.860 3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.358 6.310 2.710 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.089 7.260 4.191 1.00 0.00 H new ATOM 326 N VAL A 21 -0.030 10.159 0.094 1.00 0.00 N ATOM 327 CA VAL A 21 0.006 11.430 -0.667 1.00 0.00 C ATOM 328 C VAL A 21 -1.281 11.519 -1.476 1.00 0.00 C ATOM 329 O VAL A 21 -1.782 12.584 -1.780 1.00 0.00 O ATOM 330 CB VAL A 21 1.241 11.292 -1.563 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.295 12.434 -2.575 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.499 11.329 -0.694 1.00 0.00 C ATOM 0 H VAL A 21 0.250 9.335 -0.438 1.00 0.00 H new ATOM 0 HA VAL A 21 0.070 12.331 -0.057 1.00 0.00 H new ATOM 0 HB VAL A 21 1.184 10.346 -2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.178 12.321 -3.204 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.401 12.411 -3.198 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.345 13.386 -2.047 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.381 11.231 -1.327 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.542 12.276 -0.156 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.472 10.506 0.021 1.00 0.00 H new ATOM 342 N LYS A 22 -1.836 10.380 -1.785 1.00 0.00 N ATOM 343 CA LYS A 22 -3.119 10.333 -2.532 1.00 0.00 C ATOM 344 C LYS A 22 -3.788 8.982 -2.279 1.00 0.00 C ATOM 345 O LYS A 22 -3.156 7.935 -2.335 1.00 0.00 O ATOM 346 CB LYS A 22 -2.769 10.506 -4.004 1.00 0.00 C ATOM 347 CG LYS A 22 -4.016 10.237 -4.848 1.00 0.00 C ATOM 348 CD LYS A 22 -3.606 9.552 -6.152 1.00 0.00 C ATOM 349 CE LYS A 22 -4.584 9.939 -7.264 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.794 9.831 -8.523 1.00 0.00 N ATOM 0 H LYS A 22 -1.447 9.468 -1.547 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.812 11.113 -2.217 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.401 11.516 -4.187 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.970 9.820 -4.284 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.713 9.607 -4.296 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.533 11.172 -5.062 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.593 9.846 -6.426 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -3.599 8.470 -6.020 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.447 9.273 -7.281 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.964 10.951 -7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.396 10.081 -9.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -2.983 10.481 -8.481 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -3.451 8.856 -8.635 1.00 0.00 H new ATOM 364 N GLU A 23 -5.059 9.015 -1.987 1.00 0.00 N ATOM 365 CA GLU A 23 -5.814 7.763 -1.693 1.00 0.00 C ATOM 366 C GLU A 23 -5.593 6.710 -2.776 1.00 0.00 C ATOM 367 O GLU A 23 -5.190 7.009 -3.882 1.00 0.00 O ATOM 368 CB GLU A 23 -7.282 8.189 -1.657 1.00 0.00 C ATOM 369 CG GLU A 23 -8.083 7.186 -0.825 1.00 0.00 C ATOM 370 CD GLU A 23 -9.026 7.940 0.116 1.00 0.00 C ATOM 371 OE1 GLU A 23 -8.597 8.277 1.206 1.00 0.00 O ATOM 372 OE2 GLU A 23 -10.161 8.165 -0.271 1.00 0.00 O ATOM 0 H GLU A 23 -5.615 9.869 -1.939 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.487 7.309 -0.758 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.372 9.187 -1.228 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.682 8.240 -2.670 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.655 6.529 -1.480 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.407 6.553 -0.250 1.00 0.00 H new ATOM 379 N ILE A 24 -5.857 5.475 -2.454 1.00 0.00 N ATOM 380 CA ILE A 24 -5.668 4.387 -3.449 1.00 0.00 C ATOM 381 C ILE A 24 -6.461 4.690 -4.724 1.00 0.00 C ATOM 382 O ILE A 24 -7.628 5.027 -4.682 1.00 0.00 O ATOM 383 CB ILE A 24 -6.188 3.111 -2.758 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.011 2.350 -2.148 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.887 2.192 -3.765 1.00 0.00 C ATOM 386 CD1 ILE A 24 -3.972 2.066 -3.238 1.00 0.00 C ATOM 0 H ILE A 24 -6.197 5.173 -1.541 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.626 4.279 -3.752 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.899 3.406 -1.986 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.562 2.935 -1.345 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.357 1.415 -1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.245 1.298 -3.254 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.731 2.717 -4.212 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.183 1.906 -4.546 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.131 1.523 -2.806 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.426 1.465 -4.026 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.619 3.008 -3.658 1.00 0.00 H new ATOM 398 N ALA A 25 -5.834 4.542 -5.852 1.00 0.00 N ATOM 399 CA ALA A 25 -6.535 4.783 -7.135 1.00 0.00 C ATOM 400 C ALA A 25 -6.750 3.438 -7.825 1.00 0.00 C ATOM 401 O ALA A 25 -6.196 2.440 -7.419 1.00 0.00 O ATOM 402 CB ALA A 25 -5.591 5.669 -7.946 1.00 0.00 C ATOM 0 H ALA A 25 -4.857 4.262 -5.940 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.509 5.258 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.042 5.892 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.412 6.599 -7.407 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -4.645 5.149 -8.098 1.00 0.00 H new ATOM 408 N GLU A 26 -7.546 3.382 -8.848 1.00 0.00 N ATOM 409 CA GLU A 26 -7.764 2.071 -9.516 1.00 0.00 C ATOM 410 C GLU A 26 -7.214 2.093 -10.940 1.00 0.00 C ATOM 411 O GLU A 26 -7.423 3.029 -11.686 1.00 0.00 O ATOM 412 CB GLU A 26 -9.279 1.876 -9.521 1.00 0.00 C ATOM 413 CG GLU A 26 -9.953 3.137 -10.058 1.00 0.00 C ATOM 414 CD GLU A 26 -10.607 3.898 -8.904 1.00 0.00 C ATOM 415 OE1 GLU A 26 -9.903 4.226 -7.962 1.00 0.00 O ATOM 416 OE2 GLU A 26 -11.800 4.141 -8.980 1.00 0.00 O ATOM 0 H GLU A 26 -8.050 4.173 -9.249 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.251 1.259 -9.001 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.544 1.018 -10.139 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.632 1.663 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -9.219 3.771 -10.555 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -10.703 2.872 -10.804 1.00 0.00 H new ATOM 423 N THR A 27 -6.508 1.065 -11.318 1.00 0.00 N ATOM 424 CA THR A 27 -5.936 1.022 -12.695 1.00 0.00 C ATOM 425 C THR A 27 -6.910 0.322 -13.646 1.00 0.00 C ATOM 426 O THR A 27 -7.908 -0.231 -13.229 1.00 0.00 O ATOM 427 CB THR A 27 -4.638 0.222 -12.565 1.00 0.00 C ATOM 428 OG1 THR A 27 -4.946 -1.162 -12.487 1.00 0.00 O ATOM 429 CG2 THR A 27 -3.885 0.652 -11.304 1.00 0.00 C ATOM 0 H THR A 27 -6.302 0.253 -10.736 1.00 0.00 H new ATOM 0 HA THR A 27 -5.756 2.018 -13.100 1.00 0.00 H new ATOM 0 HB THR A 27 -4.010 0.409 -13.436 1.00 0.00 H new ATOM 0 HG1 THR A 27 -4.135 -1.666 -12.265 1.00 0.00 H new ATOM 0 HG21 THR A 27 -2.962 0.078 -11.218 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.648 1.714 -11.366 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.508 0.470 -10.428 1.00 0.00 H new ATOM 437 N GLN A 28 -6.630 0.342 -14.920 1.00 0.00 N ATOM 438 CA GLN A 28 -7.543 -0.323 -15.894 1.00 0.00 C ATOM 439 C GLN A 28 -7.164 -1.798 -16.059 1.00 0.00 C ATOM 440 O GLN A 28 -7.338 -2.378 -17.112 1.00 0.00 O ATOM 441 CB GLN A 28 -7.339 0.433 -17.207 1.00 0.00 C ATOM 442 CG GLN A 28 -5.850 0.455 -17.558 1.00 0.00 C ATOM 443 CD GLN A 28 -5.666 0.071 -19.028 1.00 0.00 C ATOM 444 OE1 GLN A 28 -6.583 0.185 -19.817 1.00 0.00 O ATOM 445 NE2 GLN A 28 -4.510 -0.380 -19.431 1.00 0.00 N ATOM 0 H GLN A 28 -5.810 0.789 -15.329 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.582 -0.299 -15.566 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -7.905 -0.046 -18.006 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -7.717 1.451 -17.115 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -5.437 1.447 -17.376 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -5.305 -0.239 -16.919 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -3.741 -0.475 -18.768 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.376 -0.637 -20.409 1.00 0.00 H new ATOM 454 N HIS A 29 -6.646 -2.407 -15.029 1.00 0.00 N ATOM 455 CA HIS A 29 -6.258 -3.844 -15.133 1.00 0.00 C ATOM 456 C HIS A 29 -6.780 -4.623 -13.922 1.00 0.00 C ATOM 457 O HIS A 29 -6.478 -5.787 -13.745 1.00 0.00 O ATOM 458 CB HIS A 29 -4.729 -3.840 -15.149 1.00 0.00 C ATOM 459 CG HIS A 29 -4.241 -4.278 -16.502 1.00 0.00 C ATOM 460 ND1 HIS A 29 -4.791 -5.360 -17.171 1.00 0.00 N ATOM 461 CD2 HIS A 29 -3.256 -3.791 -17.323 1.00 0.00 C ATOM 462 CE1 HIS A 29 -4.139 -5.489 -18.340 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.192 -4.556 -18.484 1.00 0.00 N ATOM 0 H HIS A 29 -6.474 -1.974 -14.121 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.675 -4.321 -16.020 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.355 -2.842 -14.921 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.345 -4.508 -14.378 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -2.626 -2.942 -17.102 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -4.354 -6.253 -19.073 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -2.559 -4.432 -19.274 1.00 0.00 H new ATOM 471 N GLY A 30 -7.558 -3.991 -13.087 1.00 0.00 N ATOM 472 CA GLY A 30 -8.095 -4.698 -11.888 1.00 0.00 C ATOM 473 C GLY A 30 -7.184 -4.425 -10.691 1.00 0.00 C ATOM 474 O GLY A 30 -7.310 -5.037 -9.650 1.00 0.00 O ATOM 0 H GLY A 30 -7.845 -3.017 -13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.108 -4.357 -11.674 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.153 -5.770 -12.079 1.00 0.00 H new ATOM 478 N THR A 31 -6.268 -3.507 -10.833 1.00 0.00 N ATOM 479 CA THR A 31 -5.343 -3.188 -9.709 1.00 0.00 C ATOM 480 C THR A 31 -5.719 -1.849 -9.078 1.00 0.00 C ATOM 481 O THR A 31 -6.659 -1.195 -9.484 1.00 0.00 O ATOM 482 CB THR A 31 -3.954 -3.090 -10.346 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.067 -3.191 -11.759 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.075 -4.224 -9.823 1.00 0.00 C ATOM 0 H THR A 31 -6.120 -2.962 -11.682 1.00 0.00 H new ATOM 0 HA THR A 31 -5.385 -3.942 -8.923 1.00 0.00 H new ATOM 0 HB THR A 31 -3.505 -2.131 -10.088 1.00 0.00 H new ATOM 0 HG1 THR A 31 -3.175 -3.142 -12.163 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.086 -4.156 -10.275 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.985 -4.144 -8.740 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.526 -5.182 -10.080 1.00 0.00 H new ATOM 492 N ILE A 32 -4.968 -1.429 -8.103 1.00 0.00 N ATOM 493 CA ILE A 32 -5.242 -0.118 -7.449 1.00 0.00 C ATOM 494 C ILE A 32 -3.907 0.561 -7.190 1.00 0.00 C ATOM 495 O ILE A 32 -2.899 -0.089 -7.027 1.00 0.00 O ATOM 496 CB ILE A 32 -5.978 -0.385 -6.124 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.209 -1.885 -5.899 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.331 0.324 -6.163 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.381 -2.153 -4.402 1.00 0.00 C ATOM 0 H ILE A 32 -4.169 -1.940 -7.726 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.860 0.524 -8.076 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.362 -0.009 -5.307 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.095 -2.214 -6.443 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.366 -2.456 -6.288 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.864 0.143 -5.229 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.177 1.395 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.919 -0.060 -6.997 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.545 -3.218 -4.240 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.483 -1.839 -3.871 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.238 -1.593 -4.028 1.00 0.00 H new ATOM 511 N VAL A 33 -3.878 1.855 -7.186 1.00 0.00 N ATOM 512 CA VAL A 33 -2.583 2.555 -6.985 1.00 0.00 C ATOM 513 C VAL A 33 -2.578 3.401 -5.715 1.00 0.00 C ATOM 514 O VAL A 33 -3.497 4.143 -5.444 1.00 0.00 O ATOM 515 CB VAL A 33 -2.465 3.446 -8.211 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.298 4.412 -8.028 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.234 2.571 -9.444 1.00 0.00 C ATOM 0 H VAL A 33 -4.689 2.460 -7.312 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.756 1.855 -6.870 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.382 4.021 -8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.213 5.051 -8.907 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.471 5.029 -7.146 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.375 3.847 -7.900 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.148 3.203 -10.328 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.315 1.998 -9.317 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.074 1.887 -9.567 1.00 0.00 H new ATOM 527 N ILE A 34 -1.531 3.308 -4.944 1.00 0.00 N ATOM 528 CA ILE A 34 -1.450 4.118 -3.709 1.00 0.00 C ATOM 529 C ILE A 34 -0.277 5.084 -3.803 1.00 0.00 C ATOM 530 O ILE A 34 0.858 4.686 -3.928 1.00 0.00 O ATOM 531 CB ILE A 34 -1.268 3.104 -2.574 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.074 3.585 -1.386 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.204 2.977 -2.165 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.421 4.836 -0.810 1.00 0.00 C ATOM 0 H ILE A 34 -0.729 2.703 -5.121 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.337 4.729 -3.543 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.606 2.125 -2.914 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.098 3.802 -1.690 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.126 2.805 -0.627 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.296 2.250 -1.358 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.792 2.646 -3.021 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.572 3.945 -1.825 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -1.998 5.186 0.046 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.405 4.602 -0.492 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.393 5.615 -1.572 1.00 0.00 H new ATOM 546 N ARG A 35 -0.541 6.346 -3.729 1.00 0.00 N ATOM 547 CA ARG A 35 0.570 7.324 -3.806 1.00 0.00 C ATOM 548 C ARG A 35 0.887 7.794 -2.390 1.00 0.00 C ATOM 549 O ARG A 35 0.027 8.270 -1.676 1.00 0.00 O ATOM 550 CB ARG A 35 0.036 8.442 -4.708 1.00 0.00 C ATOM 551 CG ARG A 35 0.555 9.807 -4.248 1.00 0.00 C ATOM 552 CD ARG A 35 0.656 10.746 -5.451 1.00 0.00 C ATOM 553 NE ARG A 35 2.069 10.632 -5.909 1.00 0.00 N ATOM 554 CZ ARG A 35 2.428 11.132 -7.062 1.00 0.00 C ATOM 555 NH1 ARG A 35 1.550 11.736 -7.818 1.00 0.00 N ATOM 556 NH2 ARG A 35 3.667 11.027 -7.458 1.00 0.00 N ATOM 0 H ARG A 35 -1.473 6.746 -3.619 1.00 0.00 H new ATOM 0 HA ARG A 35 1.500 6.929 -4.215 1.00 0.00 H new ATOM 0 HB2 ARG A 35 0.341 8.261 -5.739 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.054 8.438 -4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -0.115 10.229 -3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.531 9.697 -3.776 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -0.039 10.455 -6.239 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.412 11.771 -5.173 1.00 0.00 H new ATOM 0 HE ARG A 35 2.758 10.163 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.581 11.818 -7.509 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.833 12.125 -8.717 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.353 10.556 -6.868 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.950 11.416 -8.357 1.00 0.00 H new ATOM 570 N VAL A 36 2.109 7.645 -1.965 1.00 0.00 N ATOM 571 CA VAL A 36 2.463 8.056 -0.597 1.00 0.00 C ATOM 572 C VAL A 36 3.896 8.500 -0.582 1.00 0.00 C ATOM 573 O VAL A 36 4.662 8.203 -1.466 1.00 0.00 O ATOM 574 CB VAL A 36 2.250 6.819 0.286 1.00 0.00 C ATOM 575 CG1 VAL A 36 1.017 6.053 -0.187 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.475 5.900 0.208 1.00 0.00 C ATOM 0 H VAL A 36 2.874 7.254 -2.514 1.00 0.00 H new ATOM 0 HA VAL A 36 1.857 8.887 -0.235 1.00 0.00 H new ATOM 0 HB VAL A 36 2.107 7.144 1.317 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.870 5.176 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.141 6.698 -0.121 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.159 5.738 -1.221 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.314 5.025 0.838 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.626 5.582 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.357 6.439 0.554 1.00 0.00 H new ATOM 586 N GLN A 37 4.261 9.215 0.405 1.00 0.00 N ATOM 587 CA GLN A 37 5.636 9.695 0.478 1.00 0.00 C ATOM 588 C GLN A 37 6.362 8.915 1.564 1.00 0.00 C ATOM 589 O GLN A 37 5.909 8.836 2.689 1.00 0.00 O ATOM 590 CB GLN A 37 5.441 11.150 0.849 1.00 0.00 C ATOM 591 CG GLN A 37 6.780 11.889 0.828 1.00 0.00 C ATOM 592 CD GLN A 37 6.899 12.765 2.077 1.00 0.00 C ATOM 593 OE1 GLN A 37 6.287 13.917 2.112 1.00 0.00 O flip ATOM 594 NE2 GLN A 37 7.557 12.397 3.030 1.00 0.00 N flip ATOM 0 H GLN A 37 3.659 9.494 1.179 1.00 0.00 H new ATOM 0 HA GLN A 37 6.229 9.576 -0.429 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.748 11.620 0.151 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.994 11.222 1.840 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.602 11.174 0.793 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.854 12.504 -0.069 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.035 11.496 3.002 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.631 12.989 3.858 1.00 0.00 H new ATOM 603 N TYR A 38 7.463 8.314 1.242 1.00 0.00 N ATOM 604 CA TYR A 38 8.174 7.516 2.274 1.00 0.00 C ATOM 605 C TYR A 38 8.563 8.408 3.453 1.00 0.00 C ATOM 606 O TYR A 38 9.243 9.400 3.302 1.00 0.00 O ATOM 607 CB TYR A 38 9.415 6.966 1.575 1.00 0.00 C ATOM 608 CG TYR A 38 10.239 6.162 2.554 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.629 5.571 3.666 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.615 6.010 2.347 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.397 4.828 4.571 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.382 5.268 3.251 1.00 0.00 C ATOM 613 CZ TYR A 38 11.773 4.677 4.364 1.00 0.00 C ATOM 614 OH TYR A 38 12.529 3.944 5.256 1.00 0.00 O ATOM 0 H TYR A 38 7.901 8.337 0.321 1.00 0.00 H new ATOM 0 HA TYR A 38 7.554 6.715 2.676 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.122 6.340 0.732 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.010 7.785 1.172 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.567 5.688 3.826 1.00 0.00 H new ATOM 0 HD2 TYR A 38 12.085 6.466 1.488 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.927 4.371 5.429 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.444 5.151 3.090 1.00 0.00 H new ATOM 0 HH TYR A 38 13.448 3.871 4.923 1.00 0.00 H new ATOM 624 N GLU A 39 8.127 8.059 4.629 1.00 0.00 N ATOM 625 CA GLU A 39 8.466 8.879 5.827 1.00 0.00 C ATOM 626 C GLU A 39 9.641 8.238 6.556 1.00 0.00 C ATOM 627 O GLU A 39 10.375 8.885 7.277 1.00 0.00 O ATOM 628 CB GLU A 39 7.210 8.846 6.699 1.00 0.00 C ATOM 629 CG GLU A 39 6.388 10.113 6.463 1.00 0.00 C ATOM 630 CD GLU A 39 6.693 11.131 7.563 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.688 10.956 8.246 1.00 0.00 O ATOM 632 OE2 GLU A 39 5.926 12.069 7.704 1.00 0.00 O ATOM 0 H GLU A 39 7.549 7.239 4.815 1.00 0.00 H new ATOM 0 HA GLU A 39 8.752 9.900 5.575 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.614 7.965 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.487 8.771 7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.624 10.536 5.486 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.325 9.874 6.459 1.00 0.00 H new ATOM 639 N GLY A 40 9.820 6.962 6.366 1.00 0.00 N ATOM 640 CA GLY A 40 10.940 6.253 7.034 1.00 0.00 C ATOM 641 C GLY A 40 12.269 6.774 6.503 1.00 0.00 C ATOM 642 O GLY A 40 12.346 7.836 5.919 1.00 0.00 O ATOM 0 H GLY A 40 9.233 6.377 5.772 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.885 6.402 8.112 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.862 5.181 6.856 1.00 0.00 H new ATOM 646 N ASP A 41 13.318 6.028 6.698 1.00 0.00 N ATOM 647 CA ASP A 41 14.647 6.474 6.200 1.00 0.00 C ATOM 648 C ASP A 41 15.297 5.368 5.368 1.00 0.00 C ATOM 649 O ASP A 41 15.124 4.196 5.635 1.00 0.00 O ATOM 650 CB ASP A 41 15.470 6.757 7.457 1.00 0.00 C ATOM 651 CG ASP A 41 16.679 7.620 7.092 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.926 7.788 5.909 1.00 0.00 O ATOM 653 OD2 ASP A 41 17.336 8.100 8.002 1.00 0.00 O ATOM 0 H ASP A 41 13.313 5.129 7.180 1.00 0.00 H new ATOM 0 HA ASP A 41 14.574 7.352 5.558 1.00 0.00 H new ATOM 0 HB2 ASP A 41 14.856 7.268 8.199 1.00 0.00 H new ATOM 0 HB3 ASP A 41 15.801 5.821 7.906 1.00 0.00 H new ATOM 658 N GLY A 42 16.046 5.728 4.360 1.00 0.00 N ATOM 659 CA GLY A 42 16.702 4.685 3.523 1.00 0.00 C ATOM 660 C GLY A 42 17.025 5.236 2.131 1.00 0.00 C ATOM 661 O GLY A 42 17.780 4.641 1.388 1.00 0.00 O ATOM 0 H GLY A 42 16.230 6.692 4.082 1.00 0.00 H new ATOM 0 HA2 GLY A 42 17.618 4.345 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 42 16.048 3.818 3.434 1.00 0.00 H new ATOM 665 N SER A 43 16.466 6.359 1.755 1.00 0.00 N ATOM 666 CA SER A 43 16.768 6.901 0.401 1.00 0.00 C ATOM 667 C SER A 43 16.315 5.864 -0.643 1.00 0.00 C ATOM 668 O SER A 43 15.418 5.100 -0.355 1.00 0.00 O ATOM 669 CB SER A 43 18.280 7.085 0.431 1.00 0.00 C ATOM 670 OG SER A 43 18.643 8.193 -0.382 1.00 0.00 O ATOM 0 H SER A 43 15.823 6.915 2.319 1.00 0.00 H new ATOM 0 HA SER A 43 16.264 7.833 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.616 7.247 1.455 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.773 6.181 0.073 1.00 0.00 H new ATOM 0 HG SER A 43 19.616 8.310 -0.360 1.00 0.00 H new ATOM 676 N PRO A 44 16.923 5.834 -1.814 1.00 0.00 N ATOM 677 CA PRO A 44 16.511 4.835 -2.823 1.00 0.00 C ATOM 678 C PRO A 44 16.294 3.492 -2.127 1.00 0.00 C ATOM 679 O PRO A 44 17.221 2.760 -1.845 1.00 0.00 O ATOM 680 CB PRO A 44 17.683 4.803 -3.794 1.00 0.00 C ATOM 681 CG PRO A 44 18.272 6.175 -3.708 1.00 0.00 C ATOM 682 CD PRO A 44 18.008 6.686 -2.312 1.00 0.00 C ATOM 0 HA PRO A 44 15.578 5.066 -3.338 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.410 4.040 -3.515 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.354 4.574 -4.808 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.342 6.148 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.823 6.834 -4.451 1.00 0.00 H new ATOM 0 HD2 PRO A 44 18.896 6.607 -1.685 1.00 0.00 H new ATOM 0 HD3 PRO A 44 17.717 7.736 -2.321 1.00 0.00 H new ATOM 690 N CYS A 45 15.065 3.195 -1.812 1.00 0.00 N ATOM 691 CA CYS A 45 14.756 1.931 -1.085 1.00 0.00 C ATOM 692 C CYS A 45 13.386 1.391 -1.527 1.00 0.00 C ATOM 693 O CYS A 45 12.659 2.044 -2.240 1.00 0.00 O ATOM 694 CB CYS A 45 14.774 2.358 0.395 1.00 0.00 C ATOM 695 SG CYS A 45 13.568 1.425 1.370 1.00 0.00 S ATOM 0 H CYS A 45 14.255 3.777 -2.028 1.00 0.00 H new ATOM 0 HA CYS A 45 15.459 1.121 -1.279 1.00 0.00 H new ATOM 0 HB2 CYS A 45 15.772 2.206 0.806 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.558 3.424 0.470 1.00 0.00 H new ATOM 700 N LYS A 46 13.042 0.197 -1.114 1.00 0.00 N ATOM 701 CA LYS A 46 11.732 -0.401 -1.526 1.00 0.00 C ATOM 702 C LYS A 46 10.594 0.033 -0.595 1.00 0.00 C ATOM 703 O LYS A 46 10.803 0.725 0.378 1.00 0.00 O ATOM 704 CB LYS A 46 11.958 -1.908 -1.427 1.00 0.00 C ATOM 705 CG LYS A 46 12.341 -2.469 -2.796 1.00 0.00 C ATOM 706 CD LYS A 46 12.012 -3.963 -2.846 1.00 0.00 C ATOM 707 CE LYS A 46 12.556 -4.650 -1.591 1.00 0.00 C ATOM 708 NZ LYS A 46 12.233 -6.092 -1.775 1.00 0.00 N ATOM 0 H LYS A 46 13.613 -0.392 -0.508 1.00 0.00 H new ATOM 0 HA LYS A 46 11.436 -0.080 -2.525 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.746 -2.119 -0.705 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.054 -2.397 -1.064 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.801 -1.940 -3.581 1.00 0.00 H new ATOM 0 HG3 LYS A 46 13.404 -2.314 -2.980 1.00 0.00 H new ATOM 0 HD2 LYS A 46 10.934 -4.106 -2.913 1.00 0.00 H new ATOM 0 HD3 LYS A 46 12.449 -4.412 -3.738 1.00 0.00 H new ATOM 0 HE2 LYS A 46 13.630 -4.495 -1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 46 12.090 -4.252 -0.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 12.088 -6.537 -0.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 11.366 -6.184 -2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 13.019 -6.564 -2.266 1.00 0.00 H new ATOM 722 N ILE A 47 9.381 -0.347 -0.915 1.00 0.00 N ATOM 723 CA ILE A 47 8.216 0.067 -0.080 1.00 0.00 C ATOM 724 C ILE A 47 7.416 -1.134 0.439 1.00 0.00 C ATOM 725 O ILE A 47 6.967 -1.962 -0.329 1.00 0.00 O ATOM 726 CB ILE A 47 7.361 0.880 -1.040 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.251 1.902 -1.739 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.258 1.598 -0.261 1.00 0.00 C ATOM 729 CD1 ILE A 47 8.669 2.963 -0.726 1.00 0.00 C ATOM 0 H ILE A 47 9.149 -0.928 -1.721 1.00 0.00 H new ATOM 0 HA ILE A 47 8.532 0.615 0.808 1.00 0.00 H new ATOM 0 HB ILE A 47 6.901 0.224 -1.779 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.130 1.413 -2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 47 7.716 2.363 -2.570 1.00 0.00 H new ATOM 0 HG21 ILE A 47 5.646 2.180 -0.950 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.634 0.863 0.247 1.00 0.00 H new ATOM 0 HG23 ILE A 47 6.707 2.263 0.476 1.00 0.00 H new ATOM 0 HD11 ILE A 47 9.306 3.701 -1.214 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.782 3.456 -0.329 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.218 2.492 0.089 1.00 0.00 H new ATOM 741 N PRO A 48 7.242 -1.169 1.734 1.00 0.00 N ATOM 742 CA PRO A 48 6.461 -2.256 2.386 1.00 0.00 C ATOM 743 C PRO A 48 4.990 -2.194 1.963 1.00 0.00 C ATOM 744 O PRO A 48 4.445 -1.134 1.729 1.00 0.00 O ATOM 745 CB PRO A 48 6.578 -1.938 3.873 1.00 0.00 C ATOM 746 CG PRO A 48 7.751 -1.022 3.982 1.00 0.00 C ATOM 747 CD PRO A 48 7.754 -0.218 2.718 1.00 0.00 C ATOM 0 HA PRO A 48 6.825 -3.249 2.121 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.671 -1.464 4.248 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.729 -2.844 4.460 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.665 -0.377 4.856 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.678 -1.584 4.091 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.119 0.664 2.797 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.754 0.131 2.462 1.00 0.00 H new ATOM 755 N PHE A 49 4.346 -3.322 1.862 1.00 0.00 N ATOM 756 CA PHE A 49 2.918 -3.334 1.455 1.00 0.00 C ATOM 757 C PHE A 49 2.228 -4.604 1.963 1.00 0.00 C ATOM 758 O PHE A 49 2.871 -5.589 2.269 1.00 0.00 O ATOM 759 CB PHE A 49 2.991 -3.344 -0.058 1.00 0.00 C ATOM 760 CG PHE A 49 1.710 -2.791 -0.637 1.00 0.00 C ATOM 761 CD1 PHE A 49 1.468 -1.411 -0.614 1.00 0.00 C ATOM 762 CD2 PHE A 49 0.764 -3.657 -1.196 1.00 0.00 C ATOM 763 CE1 PHE A 49 0.281 -0.900 -1.150 1.00 0.00 C ATOM 764 CE2 PHE A 49 -0.424 -3.144 -1.732 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.665 -1.765 -1.711 1.00 0.00 C ATOM 0 H PHE A 49 4.751 -4.240 2.045 1.00 0.00 H new ATOM 0 HA PHE A 49 2.350 -2.494 1.854 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.840 -2.748 -0.394 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.154 -4.360 -0.416 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.198 -0.742 -0.183 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.950 -4.721 -1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.095 0.164 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.155 -3.813 -2.162 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.580 -1.369 -2.127 1.00 0.00 H new ATOM 775 N GLU A 50 0.924 -4.596 2.050 1.00 0.00 N ATOM 776 CA GLU A 50 0.207 -5.811 2.531 1.00 0.00 C ATOM 777 C GLU A 50 -1.309 -5.603 2.463 1.00 0.00 C ATOM 778 O GLU A 50 -1.865 -4.780 3.164 1.00 0.00 O ATOM 779 CB GLU A 50 0.661 -5.994 3.980 1.00 0.00 C ATOM 780 CG GLU A 50 -0.198 -7.066 4.654 1.00 0.00 C ATOM 781 CD GLU A 50 -0.281 -8.298 3.749 1.00 0.00 C ATOM 782 OE1 GLU A 50 -1.046 -8.261 2.800 1.00 0.00 O ATOM 783 OE2 GLU A 50 0.422 -9.257 4.021 1.00 0.00 O ATOM 0 H GLU A 50 0.328 -3.804 1.810 1.00 0.00 H new ATOM 0 HA GLU A 50 0.430 -6.686 1.920 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.711 -6.284 4.009 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.575 -5.051 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 50 0.232 -7.338 5.618 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -1.197 -6.677 4.849 1.00 0.00 H new ATOM 790 N ILE A 51 -1.982 -6.346 1.626 1.00 0.00 N ATOM 791 CA ILE A 51 -3.462 -6.195 1.515 1.00 0.00 C ATOM 792 C ILE A 51 -4.163 -7.391 2.165 1.00 0.00 C ATOM 793 O ILE A 51 -4.310 -8.437 1.564 1.00 0.00 O ATOM 794 CB ILE A 51 -3.749 -6.161 0.013 1.00 0.00 C ATOM 795 CG1 ILE A 51 -2.887 -5.082 -0.648 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.228 -5.840 -0.217 1.00 0.00 C ATOM 797 CD1 ILE A 51 -3.089 -5.127 -2.164 1.00 0.00 C ATOM 0 H ILE A 51 -1.571 -7.051 1.014 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.823 -5.298 2.019 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.514 -7.132 -0.422 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -3.158 -4.099 -0.263 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -1.836 -5.241 -0.405 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.433 -5.816 -1.287 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.844 -6.607 0.253 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.462 -4.869 0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.476 -4.359 -2.636 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -2.797 -6.107 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.139 -4.947 -2.397 1.00 0.00 H new ATOM 970 N GLY A 61 -3.572 -10.222 -1.647 1.00 0.00 N ATOM 971 CA GLY A 61 -3.708 -9.556 -2.972 1.00 0.00 C ATOM 972 C GLY A 61 -2.387 -9.657 -3.734 1.00 0.00 C ATOM 973 O GLY A 61 -1.454 -10.300 -3.295 1.00 0.00 O ATOM 0 HA2 GLY A 61 -4.507 -10.025 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.983 -8.510 -2.838 1.00 0.00 H new ATOM 977 N ARG A 62 -2.296 -9.025 -4.873 1.00 0.00 N ATOM 978 CA ARG A 62 -1.033 -9.087 -5.659 1.00 0.00 C ATOM 979 C ARG A 62 -0.473 -7.689 -5.859 1.00 0.00 C ATOM 980 O ARG A 62 -1.205 -6.727 -5.934 1.00 0.00 O ATOM 981 CB ARG A 62 -1.424 -9.675 -7.008 1.00 0.00 C ATOM 982 CG ARG A 62 -0.484 -10.831 -7.340 1.00 0.00 C ATOM 983 CD ARG A 62 0.413 -10.442 -8.517 1.00 0.00 C ATOM 984 NE ARG A 62 0.171 -11.490 -9.547 1.00 0.00 N ATOM 985 CZ ARG A 62 0.591 -12.712 -9.352 1.00 0.00 C ATOM 986 NH1 ARG A 62 1.228 -13.020 -8.254 1.00 0.00 N ATOM 987 NH2 ARG A 62 0.373 -13.626 -10.256 1.00 0.00 N ATOM 0 H ARG A 62 -3.042 -8.469 -5.292 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.272 -9.682 -5.153 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.456 -10.025 -6.981 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.367 -8.910 -7.782 1.00 0.00 H new ATOM 0 HG2 ARG A 62 0.126 -11.078 -6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.061 -11.722 -7.588 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.161 -9.451 -8.895 1.00 0.00 H new ATOM 0 HD3 ARG A 62 1.462 -10.413 -8.222 1.00 0.00 H new ATOM 0 HE ARG A 62 -0.324 -11.253 -10.407 1.00 0.00 H new ATOM 0 HH11 ARG A 62 1.399 -12.306 -7.546 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.555 -13.975 -8.105 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -0.125 -13.387 -11.114 1.00 0.00 H new ATOM 0 HH22 ARG A 62 0.700 -14.580 -10.106 1.00 0.00 H new ATOM 1001 N LEU A 63 0.814 -7.564 -5.962 1.00 0.00 N ATOM 1002 CA LEU A 63 1.391 -6.218 -6.173 1.00 0.00 C ATOM 1003 C LEU A 63 1.959 -6.104 -7.583 1.00 0.00 C ATOM 1004 O LEU A 63 2.885 -6.798 -7.954 1.00 0.00 O ATOM 1005 CB LEU A 63 2.496 -6.070 -5.120 1.00 0.00 C ATOM 1006 CG LEU A 63 1.898 -5.959 -3.706 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.806 -5.087 -2.847 1.00 0.00 C ATOM 1008 CD2 LEU A 63 0.516 -5.309 -3.748 1.00 0.00 C ATOM 0 H LEU A 63 1.486 -8.329 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 63 0.643 -5.432 -6.071 1.00 0.00 H new ATOM 0 HB2 LEU A 63 3.167 -6.927 -5.169 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.094 -5.185 -5.337 1.00 0.00 H new ATOM 0 HG LEU A 63 1.812 -6.963 -3.291 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.388 -5.004 -1.844 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.797 -5.538 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 63 2.883 -4.094 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.115 -5.242 -2.737 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.597 -4.309 -4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.151 -5.912 -4.364 1.00 0.00 H new ATOM 1020 N ILE A 64 1.425 -5.209 -8.362 1.00 0.00 N ATOM 1021 CA ILE A 64 1.941 -5.012 -9.741 1.00 0.00 C ATOM 1022 C ILE A 64 3.228 -4.212 -9.629 1.00 0.00 C ATOM 1023 O ILE A 64 4.091 -4.240 -10.485 1.00 0.00 O ATOM 1024 CB ILE A 64 0.861 -4.201 -10.458 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.309 -5.113 -10.842 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.451 -3.574 -11.723 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.808 -5.866 -9.607 1.00 0.00 C ATOM 0 H ILE A 64 0.648 -4.602 -8.101 1.00 0.00 H new ATOM 0 HA ILE A 64 2.148 -5.939 -10.276 1.00 0.00 H new ATOM 0 HB ILE A 64 0.501 -3.417 -9.792 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.118 -4.521 -11.269 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.007 -5.821 -11.608 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.682 -2.996 -12.235 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.278 -2.918 -11.452 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.813 -4.361 -12.384 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.640 -6.513 -9.887 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.001 -6.472 -9.199 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.141 -5.151 -8.855 1.00 0.00 H new ATOM 1039 N THR A 65 3.345 -3.505 -8.544 1.00 0.00 N ATOM 1040 CA THR A 65 4.544 -2.682 -8.281 1.00 0.00 C ATOM 1041 C THR A 65 5.265 -3.291 -7.073 1.00 0.00 C ATOM 1042 O THR A 65 5.918 -2.621 -6.302 1.00 0.00 O ATOM 1043 CB THR A 65 3.942 -1.303 -7.993 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.841 -0.572 -9.206 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.790 -0.521 -7.003 1.00 0.00 C ATOM 0 H THR A 65 2.637 -3.465 -7.811 1.00 0.00 H new ATOM 0 HA THR A 65 5.281 -2.628 -9.082 1.00 0.00 H new ATOM 0 HB THR A 65 2.955 -1.448 -7.554 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.454 0.310 -9.025 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.333 0.452 -6.822 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.855 -1.072 -6.065 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.791 -0.382 -7.412 1.00 0.00 H new ATOM 1053 N VAL A 66 5.115 -4.586 -6.936 1.00 0.00 N ATOM 1054 CA VAL A 66 5.732 -5.361 -5.808 1.00 0.00 C ATOM 1055 C VAL A 66 6.772 -4.551 -5.043 1.00 0.00 C ATOM 1056 O VAL A 66 7.832 -4.239 -5.550 1.00 0.00 O ATOM 1057 CB VAL A 66 6.395 -6.563 -6.475 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.291 -7.279 -5.460 1.00 0.00 C ATOM 1059 CG2 VAL A 66 5.316 -7.529 -6.974 1.00 0.00 C ATOM 0 H VAL A 66 4.572 -5.159 -7.582 1.00 0.00 H new ATOM 0 HA VAL A 66 4.977 -5.639 -5.073 1.00 0.00 H new ATOM 0 HB VAL A 66 6.998 -6.225 -7.318 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.765 -8.138 -5.935 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.058 -6.592 -5.104 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.688 -7.618 -4.618 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.789 -8.388 -7.451 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.713 -7.868 -6.131 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.677 -7.020 -7.696 1.00 0.00 H new ATOM 1069 N ASN A 67 6.478 -4.223 -3.818 1.00 0.00 N ATOM 1070 CA ASN A 67 7.445 -3.447 -3.001 1.00 0.00 C ATOM 1071 C ASN A 67 8.096 -2.349 -3.845 1.00 0.00 C ATOM 1072 O ASN A 67 9.267 -2.419 -4.160 1.00 0.00 O ATOM 1073 CB ASN A 67 8.480 -4.479 -2.556 1.00 0.00 C ATOM 1074 CG ASN A 67 9.180 -3.987 -1.289 1.00 0.00 C ATOM 1075 OD1 ASN A 67 9.035 -2.844 -0.907 1.00 0.00 O ATOM 1076 ND2 ASN A 67 9.936 -4.809 -0.614 1.00 0.00 N ATOM 0 H ASN A 67 5.605 -4.461 -3.346 1.00 0.00 H new ATOM 0 HA ASN A 67 6.974 -2.946 -2.156 1.00 0.00 H new ATOM 0 HB2 ASN A 67 7.996 -5.437 -2.368 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.211 -4.641 -3.348 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.405 -4.491 0.234 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.058 -5.770 -0.935 1.00 0.00 H new ATOM 1083 N PRO A 68 7.306 -1.364 -4.182 1.00 0.00 N ATOM 1084 CA PRO A 68 7.811 -0.239 -4.999 1.00 0.00 C ATOM 1085 C PRO A 68 9.079 0.329 -4.366 1.00 0.00 C ATOM 1086 O PRO A 68 9.578 -0.196 -3.391 1.00 0.00 O ATOM 1087 CB PRO A 68 6.681 0.791 -4.988 1.00 0.00 C ATOM 1088 CG PRO A 68 5.591 0.231 -4.117 1.00 0.00 C ATOM 1089 CD PRO A 68 5.897 -1.217 -3.837 1.00 0.00 C ATOM 0 HA PRO A 68 8.072 -0.536 -6.015 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.033 1.747 -4.600 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.314 0.973 -5.998 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.526 0.791 -3.184 1.00 0.00 H new ATOM 0 HG3 PRO A 68 4.625 0.325 -4.613 1.00 0.00 H new ATOM 0 HD2 PRO A 68 5.716 -1.466 -2.791 1.00 0.00 H new ATOM 0 HD3 PRO A 68 5.270 -1.878 -4.435 1.00 0.00 H new ATOM 1097 N ILE A 69 9.619 1.385 -4.916 1.00 0.00 N ATOM 1098 CA ILE A 69 10.870 1.948 -4.336 1.00 0.00 C ATOM 1099 C ILE A 69 10.866 3.476 -4.344 1.00 0.00 C ATOM 1100 O ILE A 69 10.437 4.106 -5.290 1.00 0.00 O ATOM 1101 CB ILE A 69 11.982 1.444 -5.257 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.081 -0.093 -5.143 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.309 2.127 -4.885 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.416 -0.530 -4.521 1.00 0.00 C ATOM 0 H ILE A 69 9.252 1.876 -5.732 1.00 0.00 H new ATOM 0 HA ILE A 69 10.990 1.643 -3.296 1.00 0.00 H new ATOM 0 HB ILE A 69 11.756 1.694 -6.294 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.257 -0.467 -4.536 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.977 -0.539 -6.132 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.100 1.767 -5.542 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.207 3.206 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.561 1.893 -3.851 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.449 -1.618 -4.457 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.239 -0.178 -5.142 1.00 0.00 H new ATOM 0 HD13 ILE A 69 13.508 -0.105 -3.522 1.00 0.00 H new ATOM 1116 N VAL A 70 11.395 4.075 -3.311 1.00 0.00 N ATOM 1117 CA VAL A 70 11.482 5.561 -3.274 1.00 0.00 C ATOM 1118 C VAL A 70 12.851 5.960 -3.818 1.00 0.00 C ATOM 1119 O VAL A 70 13.704 5.117 -4.012 1.00 0.00 O ATOM 1120 CB VAL A 70 11.351 5.951 -1.798 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.257 7.473 -1.667 1.00 0.00 C ATOM 1122 CG2 VAL A 70 10.084 5.321 -1.226 1.00 0.00 C ATOM 0 H VAL A 70 11.771 3.598 -2.491 1.00 0.00 H new ATOM 0 HA VAL A 70 10.713 6.053 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 70 12.225 5.596 -1.252 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.164 7.743 -0.615 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.156 7.930 -2.081 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.384 7.832 -2.212 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.984 5.594 -0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.217 5.682 -1.779 1.00 0.00 H new ATOM 0 HG23 VAL A 70 10.145 4.236 -1.314 1.00 0.00 H new ATOM 1132 N THR A 71 13.081 7.215 -4.076 1.00 0.00 N ATOM 1133 CA THR A 71 14.413 7.611 -4.616 1.00 0.00 C ATOM 1134 C THR A 71 15.066 8.675 -3.733 1.00 0.00 C ATOM 1135 O THR A 71 16.266 8.866 -3.769 1.00 0.00 O ATOM 1136 CB THR A 71 14.133 8.172 -6.008 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.179 7.350 -6.666 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.434 8.194 -6.810 1.00 0.00 C ATOM 0 H THR A 71 12.416 7.976 -3.939 1.00 0.00 H new ATOM 0 HA THR A 71 15.101 6.766 -4.646 1.00 0.00 H new ATOM 0 HB THR A 71 13.738 9.185 -5.925 1.00 0.00 H new ATOM 0 HG1 THR A 71 12.997 7.710 -7.559 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.241 8.594 -7.806 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.164 8.823 -6.302 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.826 7.180 -6.896 1.00 0.00 H new ATOM 1146 N GLU A 72 14.298 9.374 -2.946 1.00 0.00 N ATOM 1147 CA GLU A 72 14.906 10.421 -2.078 1.00 0.00 C ATOM 1148 C GLU A 72 14.328 10.356 -0.666 1.00 0.00 C ATOM 1149 O GLU A 72 14.482 11.270 0.120 1.00 0.00 O ATOM 1150 CB GLU A 72 14.544 11.747 -2.749 1.00 0.00 C ATOM 1151 CG GLU A 72 15.101 11.767 -4.172 1.00 0.00 C ATOM 1152 CD GLU A 72 15.487 13.198 -4.550 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.131 13.850 -3.744 1.00 0.00 O ATOM 1154 OE2 GLU A 72 15.132 13.620 -5.638 1.00 0.00 O ATOM 0 H GLU A 72 13.287 9.268 -2.866 1.00 0.00 H new ATOM 0 HA GLU A 72 15.984 10.293 -1.976 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.461 11.873 -2.769 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.951 12.580 -2.176 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.971 11.114 -4.242 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.357 11.383 -4.870 1.00 0.00 H new ATOM 1161 N LYS A 73 13.658 9.283 -0.340 1.00 0.00 N ATOM 1162 CA LYS A 73 13.061 9.146 1.024 1.00 0.00 C ATOM 1163 C LYS A 73 11.829 10.042 1.171 1.00 0.00 C ATOM 1164 O LYS A 73 11.127 9.977 2.157 1.00 0.00 O ATOM 1165 CB LYS A 73 14.158 9.574 2.001 1.00 0.00 C ATOM 1166 CG LYS A 73 13.927 8.905 3.356 1.00 0.00 C ATOM 1167 CD LYS A 73 14.517 9.779 4.465 1.00 0.00 C ATOM 1168 CE LYS A 73 13.664 11.039 4.631 1.00 0.00 C ATOM 1169 NZ LYS A 73 14.532 11.996 5.372 1.00 0.00 N ATOM 0 H LYS A 73 13.497 8.491 -0.962 1.00 0.00 H new ATOM 0 HA LYS A 73 12.729 8.125 1.214 1.00 0.00 H new ATOM 0 HB2 LYS A 73 15.137 9.297 1.609 1.00 0.00 H new ATOM 0 HB3 LYS A 73 14.156 10.658 2.114 1.00 0.00 H new ATOM 0 HG2 LYS A 73 12.860 8.758 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 73 14.391 7.919 3.370 1.00 0.00 H new ATOM 0 HD2 LYS A 73 14.550 9.223 5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 73 15.544 10.052 4.220 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.365 11.444 3.664 1.00 0.00 H new ATOM 0 HE3 LYS A 73 12.749 10.826 5.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.016 12.886 5.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 14.795 11.586 6.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 15.392 12.185 4.819 1.00 0.00 H new ATOM 1183 N ASP A 74 11.559 10.879 0.210 1.00 0.00 N ATOM 1184 CA ASP A 74 10.371 11.765 0.312 1.00 0.00 C ATOM 1185 C ASP A 74 9.630 11.812 -1.025 1.00 0.00 C ATOM 1186 O ASP A 74 8.611 12.458 -1.155 1.00 0.00 O ATOM 1187 CB ASP A 74 10.944 13.136 0.659 1.00 0.00 C ATOM 1188 CG ASP A 74 9.863 13.990 1.326 1.00 0.00 C ATOM 1189 OD1 ASP A 74 9.083 14.591 0.607 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.836 14.028 2.545 1.00 0.00 O ATOM 0 H ASP A 74 12.110 10.987 -0.641 1.00 0.00 H new ATOM 0 HA ASP A 74 9.653 11.419 1.056 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.798 13.026 1.327 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.306 13.629 -0.243 1.00 0.00 H new ATOM 1195 N SER A 75 10.128 11.127 -2.019 1.00 0.00 N ATOM 1196 CA SER A 75 9.441 11.131 -3.339 1.00 0.00 C ATOM 1197 C SER A 75 8.169 10.288 -3.253 1.00 0.00 C ATOM 1198 O SER A 75 8.233 9.085 -3.089 1.00 0.00 O ATOM 1199 CB SER A 75 10.443 10.499 -4.305 1.00 0.00 C ATOM 1200 OG SER A 75 9.900 10.507 -5.618 1.00 0.00 O ATOM 0 H SER A 75 10.979 10.567 -1.973 1.00 0.00 H new ATOM 0 HA SER A 75 9.147 12.130 -3.660 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.383 11.051 -4.285 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.667 9.477 -3.998 1.00 0.00 H new ATOM 0 HG SER A 75 10.541 10.104 -6.240 1.00 0.00 H new ATOM 1206 N PRO A 76 7.048 10.948 -3.357 1.00 0.00 N ATOM 1207 CA PRO A 76 5.750 10.240 -3.279 1.00 0.00 C ATOM 1208 C PRO A 76 5.744 9.054 -4.247 1.00 0.00 C ATOM 1209 O PRO A 76 5.785 9.221 -5.450 1.00 0.00 O ATOM 1210 CB PRO A 76 4.730 11.296 -3.700 1.00 0.00 C ATOM 1211 CG PRO A 76 5.399 12.614 -3.466 1.00 0.00 C ATOM 1212 CD PRO A 76 6.887 12.391 -3.563 1.00 0.00 C ATOM 0 HA PRO A 76 5.539 9.833 -2.290 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.452 11.178 -4.747 1.00 0.00 H new ATOM 0 HB3 PRO A 76 3.814 11.212 -3.115 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.072 13.346 -4.204 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.134 13.010 -2.486 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.274 12.700 -4.534 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.426 12.964 -2.808 1.00 0.00 H new ATOM 1220 N VAL A 77 5.699 7.858 -3.730 1.00 0.00 N ATOM 1221 CA VAL A 77 5.698 6.661 -4.620 1.00 0.00 C ATOM 1222 C VAL A 77 4.276 6.125 -4.805 1.00 0.00 C ATOM 1223 O VAL A 77 3.415 6.322 -3.973 1.00 0.00 O ATOM 1224 CB VAL A 77 6.563 5.634 -3.910 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.602 4.362 -4.751 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.979 6.190 -3.769 1.00 0.00 C ATOM 0 H VAL A 77 5.663 7.656 -2.731 1.00 0.00 H new ATOM 0 HA VAL A 77 6.076 6.897 -5.615 1.00 0.00 H new ATOM 0 HB VAL A 77 6.155 5.414 -2.923 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.220 3.615 -4.253 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.590 3.974 -4.871 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.023 4.586 -5.731 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.608 5.459 -3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.389 6.396 -4.758 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.952 7.112 -3.188 1.00 0.00 H new ATOM 1236 N ASN A 78 4.032 5.440 -5.889 1.00 0.00 N ATOM 1237 CA ASN A 78 2.667 4.878 -6.135 1.00 0.00 C ATOM 1238 C ASN A 78 2.708 3.351 -6.051 1.00 0.00 C ATOM 1239 O ASN A 78 3.591 2.730 -6.608 1.00 0.00 O ATOM 1240 CB ASN A 78 2.276 5.302 -7.559 1.00 0.00 C ATOM 1241 CG ASN A 78 3.512 5.362 -8.463 1.00 0.00 C ATOM 1242 OD1 ASN A 78 3.880 4.379 -9.075 1.00 0.00 O ATOM 1243 ND2 ASN A 78 4.170 6.484 -8.574 1.00 0.00 N ATOM 0 H ASN A 78 4.718 5.243 -6.618 1.00 0.00 H new ATOM 0 HA ASN A 78 1.952 5.240 -5.396 1.00 0.00 H new ATOM 0 HB2 ASN A 78 1.553 4.596 -7.969 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.790 6.277 -7.533 1.00 0.00 H new ATOM 0 HD21 ASN A 78 4.993 6.535 -9.174 1.00 0.00 H new ATOM 0 HD22 ASN A 78 3.861 7.309 -8.060 1.00 0.00 H new ATOM 1250 N ILE A 79 1.774 2.716 -5.378 1.00 0.00 N ATOM 1251 CA ILE A 79 1.844 1.229 -5.330 1.00 0.00 C ATOM 1252 C ILE A 79 0.649 0.596 -6.032 1.00 0.00 C ATOM 1253 O ILE A 79 -0.485 0.706 -5.611 1.00 0.00 O ATOM 1254 CB ILE A 79 1.875 0.844 -3.859 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.968 1.656 -3.146 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.190 -0.650 -3.771 1.00 0.00 C ATOM 1257 CD1 ILE A 79 3.356 0.973 -1.832 1.00 0.00 C ATOM 0 H ILE A 79 0.996 3.148 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 79 2.732 0.868 -5.849 1.00 0.00 H new ATOM 0 HB ILE A 79 0.917 1.053 -3.383 1.00 0.00 H new ATOM 0 HG12 ILE A 79 3.843 1.747 -3.790 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.611 2.667 -2.948 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.219 -0.955 -2.725 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.418 -1.216 -4.293 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.158 -0.846 -4.233 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.131 1.556 -1.334 1.00 0.00 H new ATOM 0 HD12 ILE A 79 2.481 0.905 -1.185 1.00 0.00 H new ATOM 0 HD13 ILE A 79 3.732 -0.029 -2.040 1.00 0.00 H new ATOM 1269 N GLU A 80 0.928 -0.076 -7.105 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.132 -0.759 -7.894 1.00 0.00 C ATOM 1271 C GLU A 80 -0.314 -2.196 -7.393 1.00 0.00 C ATOM 1272 O GLU A 80 0.578 -3.014 -7.499 1.00 0.00 O ATOM 1273 CB GLU A 80 0.400 -0.758 -9.327 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.709 -1.193 -10.282 1.00 0.00 C ATOM 1275 CD GLU A 80 -0.887 -0.136 -11.373 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -0.530 1.005 -11.130 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -1.377 -0.485 -12.435 1.00 0.00 O ATOM 0 H GLU A 80 1.870 -0.185 -7.481 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.101 -0.267 -7.811 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.755 0.238 -9.594 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.252 -1.433 -9.410 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.461 -2.155 -10.730 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.642 -1.327 -9.735 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.455 -2.515 -6.843 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.670 -3.904 -6.336 1.00 0.00 C ATOM 1286 C ALA A 81 -3.008 -4.463 -6.833 1.00 0.00 C ATOM 1287 O ALA A 81 -3.954 -3.735 -7.047 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.665 -3.773 -4.809 1.00 0.00 C ATOM 0 H ALA A 81 -2.244 -1.879 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.902 -4.592 -6.688 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.818 -4.754 -4.359 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.707 -3.369 -4.482 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.467 -3.103 -4.499 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.089 -5.755 -7.028 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.360 -6.362 -7.516 1.00 0.00 C ATOM 1296 C GLU A 82 -5.151 -6.953 -6.346 1.00 0.00 C ATOM 1297 O GLU A 82 -4.808 -7.999 -5.830 1.00 0.00 O ATOM 1298 CB GLU A 82 -3.918 -7.468 -8.474 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.116 -8.359 -8.812 1.00 0.00 C ATOM 1300 CD GLU A 82 -5.124 -8.655 -10.313 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.438 -7.956 -11.040 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -5.818 -9.578 -10.710 1.00 0.00 O ATOM 0 H GLU A 82 -2.327 -6.415 -6.869 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.010 -5.632 -7.999 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.507 -7.032 -9.385 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.126 -8.063 -8.019 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.061 -9.290 -8.247 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -6.043 -7.865 -8.523 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.189 -6.260 -5.969 1.00 0.00 N ATOM 1310 CA PRO A 83 -7.044 -6.720 -4.848 1.00 0.00 C ATOM 1311 C PRO A 83 -7.843 -7.960 -5.263 1.00 0.00 C ATOM 1312 O PRO A 83 -8.448 -7.984 -6.317 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.977 -5.538 -4.589 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.972 -4.742 -5.856 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.656 -4.995 -6.544 1.00 0.00 C ATOM 0 HA PRO A 83 -6.472 -7.003 -3.965 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.983 -5.878 -4.343 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.628 -4.939 -3.748 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.803 -5.037 -6.497 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -8.095 -3.680 -5.642 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.779 -5.070 -7.624 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.948 -4.187 -6.359 1.00 0.00 H new ATOM 1323 N PRO A 84 -7.817 -8.952 -4.415 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.550 -10.212 -4.696 1.00 0.00 C ATOM 1325 C PRO A 84 -10.061 -9.967 -4.672 1.00 0.00 C ATOM 1326 O PRO A 84 -10.721 -10.003 -5.692 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.135 -11.143 -3.557 1.00 0.00 C ATOM 1328 CG PRO A 84 -7.620 -10.247 -2.474 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.112 -8.992 -3.132 1.00 0.00 C ATOM 0 HA PRO A 84 -8.321 -10.625 -5.678 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -8.980 -11.736 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -7.367 -11.845 -3.884 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -8.410 -10.013 -1.761 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -6.822 -10.738 -1.916 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.330 -8.110 -2.530 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.031 -9.024 -3.272 1.00 0.00 H new ATOM 1387 N TYR A 89 -8.867 -2.349 3.850 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.722 -1.631 4.480 1.00 0.00 C ATOM 1389 C TYR A 89 -6.384 -2.152 3.953 1.00 0.00 C ATOM 1390 O TYR A 89 -5.803 -3.064 4.507 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.837 -1.905 5.980 1.00 0.00 C ATOM 1392 CG TYR A 89 -9.280 -1.788 6.412 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.818 -0.534 6.725 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -10.082 -2.934 6.497 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.155 -0.425 7.124 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -11.419 -2.825 6.896 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.956 -1.570 7.210 1.00 0.00 C ATOM 1398 OH TYR A 89 -13.275 -1.462 7.604 1.00 0.00 O ATOM 0 HA TYR A 89 -7.756 -0.566 4.252 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -7.460 -2.902 6.207 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.223 -1.197 6.537 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.201 0.350 6.659 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -9.668 -3.902 6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.569 0.543 7.366 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -12.037 -3.708 6.962 1.00 0.00 H new ATOM 0 HH TYR A 89 -13.689 -2.350 7.610 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.871 -1.561 2.908 1.00 0.00 N ATOM 1409 CA ILE A 90 -4.551 -2.012 2.384 1.00 0.00 C ATOM 1410 C ILE A 90 -3.471 -1.518 3.346 1.00 0.00 C ATOM 1411 O ILE A 90 -3.724 -0.661 4.168 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.414 -1.354 1.010 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -5.261 -2.125 -0.006 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.947 -1.380 0.576 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -5.147 -1.463 -1.381 1.00 0.00 C ATOM 0 H ILE A 90 -6.305 -0.791 2.398 1.00 0.00 H new ATOM 0 HA ILE A 90 -4.459 -3.095 2.299 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.757 -0.321 1.063 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.926 -3.161 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -6.303 -2.144 0.314 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.849 -0.911 -0.403 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.343 -0.835 1.301 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -2.602 -2.413 0.520 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -5.751 -2.014 -2.102 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -5.503 -0.435 -1.320 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -4.105 -1.468 -1.702 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.282 -2.047 3.287 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.246 -1.577 4.248 1.00 0.00 C ATOM 1429 C ILE A 91 0.029 -1.120 3.539 1.00 0.00 C ATOM 1430 O ILE A 91 0.492 -1.732 2.596 1.00 0.00 O ATOM 1431 CB ILE A 91 -0.956 -2.781 5.139 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.237 -3.183 5.875 1.00 0.00 C ATOM 1433 CG2 ILE A 91 0.121 -2.404 6.155 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -1.980 -4.448 6.695 1.00 0.00 C ATOM 0 H ILE A 91 -1.986 -2.769 2.630 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.598 -0.713 4.811 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.608 -3.617 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.563 -2.374 6.528 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.040 -3.358 5.159 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.333 -3.260 6.795 1.00 0.00 H new ATOM 0 HG22 ILE A 91 1.030 -2.110 5.630 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.230 -1.572 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -2.892 -4.734 7.219 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.675 -5.256 6.031 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.190 -4.257 7.421 1.00 0.00 H new ATOM 1446 N ILE A 92 0.600 -0.048 4.012 1.00 0.00 N ATOM 1447 CA ILE A 92 1.857 0.479 3.410 1.00 0.00 C ATOM 1448 C ILE A 92 2.890 0.688 4.522 1.00 0.00 C ATOM 1449 O ILE A 92 2.575 1.201 5.576 1.00 0.00 O ATOM 1450 CB ILE A 92 1.441 1.812 2.770 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.234 1.608 1.271 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.516 2.884 2.989 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.314 2.703 0.739 1.00 0.00 C ATOM 0 H ILE A 92 0.245 0.493 4.801 1.00 0.00 H new ATOM 0 HA ILE A 92 2.309 -0.189 2.677 1.00 0.00 H new ATOM 0 HB ILE A 92 0.515 2.147 3.238 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.192 1.637 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.799 0.627 1.082 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.198 3.818 2.526 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.662 3.040 4.058 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.453 2.557 2.538 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.162 2.563 -0.331 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.647 2.652 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.768 3.678 0.916 1.00 0.00 H new ATOM 1465 N GLY A 93 4.118 0.300 4.312 1.00 0.00 N ATOM 1466 CA GLY A 93 5.123 0.494 5.382 1.00 0.00 C ATOM 1467 C GLY A 93 5.096 -0.719 6.306 1.00 0.00 C ATOM 1468 O GLY A 93 4.610 -1.774 5.950 1.00 0.00 O ATOM 0 H GLY A 93 4.461 -0.137 3.456 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.116 0.617 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.905 1.402 5.944 1.00 0.00 H new ATOM 1472 N VAL A 94 5.614 -0.587 7.484 1.00 0.00 N ATOM 1473 CA VAL A 94 5.617 -1.745 8.418 1.00 0.00 C ATOM 1474 C VAL A 94 4.871 -1.389 9.698 1.00 0.00 C ATOM 1475 O VAL A 94 4.892 -0.255 10.132 1.00 0.00 O ATOM 1476 CB VAL A 94 7.093 -2.039 8.710 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.582 -3.112 7.734 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.938 -0.772 8.527 1.00 0.00 C ATOM 0 H VAL A 94 6.036 0.268 7.846 1.00 0.00 H new ATOM 0 HA VAL A 94 5.117 -2.615 7.991 1.00 0.00 H new ATOM 0 HB VAL A 94 7.193 -2.383 9.739 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.632 -3.331 7.930 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.991 -4.019 7.864 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.472 -2.751 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.983 -0.998 8.738 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.844 -0.417 7.501 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.588 0.001 9.212 1.00 0.00 H new ATOM 1488 N GLU A 95 4.212 -2.363 10.289 1.00 0.00 N ATOM 1489 CA GLU A 95 3.435 -2.139 11.556 1.00 0.00 C ATOM 1490 C GLU A 95 3.848 -0.837 12.248 1.00 0.00 C ATOM 1491 O GLU A 95 3.028 0.034 12.452 1.00 0.00 O ATOM 1492 CB GLU A 95 3.775 -3.340 12.439 1.00 0.00 C ATOM 1493 CG GLU A 95 2.601 -4.321 12.443 1.00 0.00 C ATOM 1494 CD GLU A 95 3.125 -5.747 12.268 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.431 -6.371 13.271 1.00 0.00 O ATOM 1496 OE2 GLU A 95 3.212 -6.191 11.136 1.00 0.00 O ATOM 0 H GLU A 95 4.180 -3.321 9.940 1.00 0.00 H new ATOM 0 HA GLU A 95 2.367 -2.050 11.359 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.674 -3.834 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.989 -3.009 13.455 1.00 0.00 H new ATOM 0 HG2 GLU A 95 2.048 -4.238 13.378 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.907 -4.076 11.639 1.00 0.00 H new ATOM 1503 N PRO A 96 5.111 -0.749 12.575 1.00 0.00 N ATOM 1504 CA PRO A 96 5.657 0.464 13.237 1.00 0.00 C ATOM 1505 C PRO A 96 5.281 1.746 12.476 1.00 0.00 C ATOM 1506 O PRO A 96 6.105 2.349 11.816 1.00 0.00 O ATOM 1507 CB PRO A 96 7.178 0.249 13.205 1.00 0.00 C ATOM 1508 CG PRO A 96 7.406 -0.941 12.326 1.00 0.00 C ATOM 1509 CD PRO A 96 6.153 -1.760 12.377 1.00 0.00 C ATOM 0 HA PRO A 96 5.261 0.592 14.244 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.689 1.128 12.812 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.569 0.075 14.207 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.624 -0.631 11.304 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.261 -1.520 12.673 1.00 0.00 H new ATOM 0 HD2 PRO A 96 6.000 -2.323 11.456 1.00 0.00 H new ATOM 0 HD3 PRO A 96 6.175 -2.483 13.193 1.00 0.00 H new ATOM 1517 N GLY A 97 4.052 2.183 12.581 1.00 0.00 N ATOM 1518 CA GLY A 97 3.638 3.439 11.887 1.00 0.00 C ATOM 1519 C GLY A 97 3.186 3.151 10.451 1.00 0.00 C ATOM 1520 O GLY A 97 2.804 4.048 9.725 1.00 0.00 O ATOM 0 H GLY A 97 3.317 1.723 13.118 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.826 3.913 12.439 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.470 4.143 11.876 1.00 0.00 H new ATOM 1524 N GLN A 98 3.219 1.919 10.027 1.00 0.00 N ATOM 1525 CA GLN A 98 2.783 1.600 8.634 1.00 0.00 C ATOM 1526 C GLN A 98 1.476 2.346 8.313 1.00 0.00 C ATOM 1527 O GLN A 98 0.808 2.847 9.194 1.00 0.00 O ATOM 1528 CB GLN A 98 2.614 0.066 8.632 1.00 0.00 C ATOM 1529 CG GLN A 98 1.178 -0.351 8.287 1.00 0.00 C ATOM 1530 CD GLN A 98 0.938 -1.783 8.768 1.00 0.00 C ATOM 1531 OE1 GLN A 98 1.896 -2.663 8.664 1.00 0.00 O flip ATOM 1532 NE2 GLN A 98 -0.132 -2.105 9.244 1.00 0.00 N flip ATOM 0 H GLN A 98 3.527 1.120 10.581 1.00 0.00 H new ATOM 0 HA GLN A 98 3.491 1.914 7.867 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.303 -0.374 7.911 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.882 -0.330 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.467 0.327 8.759 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.016 -0.285 7.211 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.881 -1.418 9.326 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.281 -3.063 9.562 1.00 0.00 H new ATOM 1541 N LEU A 99 1.116 2.435 7.058 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.135 3.165 6.694 1.00 0.00 C ATOM 1543 C LEU A 99 -1.279 2.190 6.388 1.00 0.00 C ATOM 1544 O LEU A 99 -1.086 0.995 6.277 1.00 0.00 O ATOM 1545 CB LEU A 99 0.227 3.959 5.441 1.00 0.00 C ATOM 1546 CG LEU A 99 0.576 5.395 5.829 1.00 0.00 C ATOM 1547 CD1 LEU A 99 1.015 6.163 4.582 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.655 6.071 6.437 1.00 0.00 C ATOM 0 H LEU A 99 1.631 2.036 6.273 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.481 3.800 7.510 1.00 0.00 H new ATOM 0 HB2 LEU A 99 1.072 3.493 4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.608 3.953 4.740 1.00 0.00 H new ATOM 0 HG LEU A 99 1.386 5.390 6.559 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.265 7.188 4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.890 5.680 4.146 1.00 0.00 H new ATOM 0 HD13 LEU A 99 0.204 6.169 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.408 7.096 6.714 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.464 6.078 5.707 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.971 5.521 7.324 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.470 2.708 6.241 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.648 1.844 5.931 1.00 0.00 C ATOM 1562 C LYS A 100 -4.625 2.614 5.034 1.00 0.00 C ATOM 1563 O LYS A 100 -4.942 3.758 5.294 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.286 1.544 7.283 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.341 0.030 7.496 1.00 0.00 C ATOM 1566 CD LYS A 100 -4.205 -0.281 8.988 1.00 0.00 C ATOM 1567 CE LYS A 100 -5.587 -0.253 9.644 1.00 0.00 C ATOM 1568 NZ LYS A 100 -5.665 1.071 10.320 1.00 0.00 N ATOM 0 H LYS A 100 -2.679 3.703 6.323 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.372 0.930 5.404 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.711 2.014 8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.291 1.965 7.324 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -5.282 -0.368 7.115 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.541 -0.456 6.938 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -3.745 -1.260 9.126 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -3.550 0.449 9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -6.378 -0.365 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -5.702 -1.068 10.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -6.565 1.145 10.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -4.874 1.167 10.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -5.611 1.828 9.609 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.099 2.008 3.979 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.046 2.729 3.074 1.00 0.00 C ATOM 1584 C LEU A 101 -7.361 1.956 2.938 1.00 0.00 C ATOM 1585 O LEU A 101 -7.371 0.756 2.761 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.326 2.802 1.728 1.00 0.00 C ATOM 1587 CG LEU A 101 -3.929 3.389 1.930 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -2.877 2.353 1.532 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -3.771 4.636 1.058 1.00 0.00 C ATOM 0 H LEU A 101 -4.875 1.052 3.704 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.304 3.716 3.457 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -5.254 1.808 1.287 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -5.894 3.419 1.032 1.00 0.00 H new ATOM 0 HG LEU A 101 -3.795 3.657 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.881 2.772 1.676 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -2.990 1.463 2.152 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -3.009 2.084 0.484 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -2.775 5.056 1.201 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.904 4.367 0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -4.521 5.375 1.341 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.472 2.642 3.017 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.792 1.952 2.896 1.00 0.00 C ATOM 1603 C ASN A 102 -10.184 1.789 1.423 1.00 0.00 C ATOM 1604 O ASN A 102 -10.138 2.722 0.648 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.782 2.870 3.614 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.036 4.114 2.760 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -10.339 5.101 2.881 1.00 0.00 O ATOM 1608 ND2 ASN A 102 -12.014 4.109 1.896 1.00 0.00 N ATOM 0 H ASN A 102 -8.523 3.651 3.160 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.771 0.951 3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -11.719 2.342 3.794 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.386 3.159 4.588 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -12.192 4.934 1.323 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -12.600 3.280 1.794 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.568 0.602 1.035 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.960 0.359 -0.379 1.00 0.00 C ATOM 1617 C TRP A 103 -11.793 -0.923 -0.478 1.00 0.00 C ATOM 1618 O TRP A 103 -11.262 -2.017 -0.527 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.637 0.193 -1.115 1.00 0.00 C ATOM 1620 CG TRP A 103 -9.827 0.510 -2.564 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -9.858 -0.404 -3.560 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.012 1.810 -3.193 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.051 0.253 -4.763 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.151 1.619 -4.588 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.071 3.123 -2.694 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.342 2.694 -5.457 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.263 4.208 -3.567 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.399 3.992 -4.945 1.00 0.00 C ATOM 0 H TRP A 103 -10.626 -0.214 1.644 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.566 1.165 -0.794 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.884 0.852 -0.684 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.271 -0.827 -1.000 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -9.750 -1.472 -3.437 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.112 -0.214 -5.668 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -9.968 3.299 -1.633 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.445 2.523 -6.518 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.306 5.213 -3.174 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.548 4.829 -5.611 1.00 0.00 H new