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 98 GLN :FLIP amide:sc= -6.71! C(o=-7.5!,f=-6.7!) USER MOD Set 1.2: A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 27 THR OG1 : rot -29:sc= 0.68 USER MOD Set 2.2: A 31 THR OG1 : rot 84:sc= 0.624 USER MOD Set 3.1: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 37 GLN : amide:sc= -2.42 X(o=-2.4,f=-2.2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.12 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= 0 X(o=0,f=-0.0019) USER MOD Single : A 38 TYR OH : rot 163:sc= 0.236! USER MOD Single : A 43 SER OG : rot 180:sc= -3.43! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot -150:sc= -0.185 USER MOD Single : A 67 ASN :FLIP amide:sc= -9.36! C(o=-11!,f=-9.4!) 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= -5.76! C(o=-5.8!,f=-24!) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -1.41 F(o=-2.3!,f=-1.4) USER MOD ----------------------------------------------------------------- ATOM 215 N CYS A 14 12.265 -0.273 3.420 1.00 0.00 N ATOM 216 CA CYS A 14 12.025 1.001 4.144 1.00 0.00 C ATOM 217 C CYS A 14 11.212 0.725 5.413 1.00 0.00 C ATOM 218 O CYS A 14 10.018 0.503 5.363 1.00 0.00 O ATOM 219 CB CYS A 14 11.256 1.888 3.157 1.00 0.00 C ATOM 220 SG CYS A 14 12.408 2.604 1.949 1.00 0.00 S ATOM 0 HA CYS A 14 12.946 1.488 4.465 1.00 0.00 H new ATOM 0 HB2 CYS A 14 10.494 1.301 2.644 1.00 0.00 H new ATOM 0 HB3 CYS A 14 10.738 2.682 3.695 1.00 0.00 H new ATOM 225 N THR A 15 11.860 0.710 6.548 1.00 0.00 N ATOM 226 CA THR A 15 11.137 0.416 7.821 1.00 0.00 C ATOM 227 C THR A 15 10.551 1.687 8.447 1.00 0.00 C ATOM 228 O THR A 15 9.813 1.619 9.409 1.00 0.00 O ATOM 229 CB THR A 15 12.197 -0.189 8.742 1.00 0.00 C ATOM 230 OG1 THR A 15 13.417 0.521 8.586 1.00 0.00 O ATOM 231 CG2 THR A 15 12.410 -1.660 8.379 1.00 0.00 C ATOM 0 H THR A 15 12.859 0.889 6.649 1.00 0.00 H new ATOM 0 HA THR A 15 10.293 -0.253 7.653 1.00 0.00 H new ATOM 0 HB THR A 15 11.864 -0.117 9.778 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.097 0.136 9.177 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.166 -2.091 9.036 1.00 0.00 H new ATOM 0 HG22 THR A 15 11.473 -2.204 8.498 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.743 -1.735 7.344 1.00 0.00 H new ATOM 239 N GLY A 16 10.869 2.842 7.926 1.00 0.00 N ATOM 240 CA GLY A 16 10.317 4.090 8.517 1.00 0.00 C ATOM 241 C GLY A 16 8.787 4.065 8.444 1.00 0.00 C ATOM 242 O GLY A 16 8.150 3.098 8.809 1.00 0.00 O ATOM 0 H GLY A 16 11.483 2.973 7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.639 4.186 9.554 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.702 4.958 7.982 1.00 0.00 H new ATOM 246 N LYS A 17 8.190 5.125 7.976 1.00 0.00 N ATOM 247 CA LYS A 17 6.702 5.165 7.884 1.00 0.00 C ATOM 248 C LYS A 17 6.281 5.717 6.520 1.00 0.00 C ATOM 249 O LYS A 17 7.111 6.018 5.689 1.00 0.00 O ATOM 250 CB LYS A 17 6.280 6.113 9.004 1.00 0.00 C ATOM 251 CG LYS A 17 5.196 5.454 9.854 1.00 0.00 C ATOM 252 CD LYS A 17 4.045 6.440 10.069 1.00 0.00 C ATOM 253 CE LYS A 17 3.405 6.782 8.721 1.00 0.00 C ATOM 254 NZ LYS A 17 2.272 7.690 9.052 1.00 0.00 N ATOM 0 H LYS A 17 8.667 5.966 7.653 1.00 0.00 H new ATOM 0 HA LYS A 17 6.242 4.182 7.983 1.00 0.00 H new ATOM 0 HB2 LYS A 17 7.140 6.364 9.625 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.908 7.047 8.582 1.00 0.00 H new ATOM 0 HG2 LYS A 17 4.830 4.553 9.361 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.609 5.146 10.814 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.301 6.006 10.737 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.414 7.347 10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.120 7.268 8.057 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.055 5.884 8.211 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.783 7.968 8.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.605 7.198 9.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.636 8.539 9.530 1.00 0.00 H new ATOM 268 N PHE A 18 5.004 5.844 6.270 1.00 0.00 N ATOM 269 CA PHE A 18 4.572 6.368 4.945 1.00 0.00 C ATOM 270 C PHE A 18 3.420 7.362 5.075 1.00 0.00 C ATOM 271 O PHE A 18 2.524 7.199 5.880 1.00 0.00 O ATOM 272 CB PHE A 18 4.124 5.140 4.178 1.00 0.00 C ATOM 273 CG PHE A 18 5.339 4.440 3.638 1.00 0.00 C ATOM 274 CD1 PHE A 18 5.858 4.793 2.388 1.00 0.00 C ATOM 275 CD2 PHE A 18 5.958 3.449 4.402 1.00 0.00 C ATOM 276 CE1 PHE A 18 7.003 4.150 1.906 1.00 0.00 C ATOM 277 CE2 PHE A 18 7.100 2.805 3.921 1.00 0.00 C ATOM 278 CZ PHE A 18 7.625 3.155 2.672 1.00 0.00 C ATOM 0 H PHE A 18 4.252 5.610 6.918 1.00 0.00 H new ATOM 0 HA PHE A 18 5.377 6.910 4.448 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.561 4.472 4.830 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.459 5.425 3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 18 5.377 5.559 1.798 1.00 0.00 H new ATOM 0 HD2 PHE A 18 5.553 3.180 5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 18 7.408 4.421 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 18 7.577 2.038 4.512 1.00 0.00 H new ATOM 0 HZ PHE A 18 8.509 2.659 2.299 1.00 0.00 H new ATOM 288 N LYS A 19 3.433 8.383 4.264 1.00 0.00 N ATOM 289 CA LYS A 19 2.342 9.392 4.300 1.00 0.00 C ATOM 290 C LYS A 19 1.508 9.267 3.026 1.00 0.00 C ATOM 291 O LYS A 19 2.002 9.457 1.937 1.00 0.00 O ATOM 292 CB LYS A 19 3.053 10.744 4.336 1.00 0.00 C ATOM 293 CG LYS A 19 2.014 11.865 4.415 1.00 0.00 C ATOM 294 CD LYS A 19 2.713 13.218 4.266 1.00 0.00 C ATOM 295 CE LYS A 19 2.960 13.506 2.783 1.00 0.00 C ATOM 296 NZ LYS A 19 3.242 14.968 2.717 1.00 0.00 N ATOM 0 H LYS A 19 4.161 8.562 3.572 1.00 0.00 H new ATOM 0 HA LYS A 19 1.675 9.265 5.152 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.722 10.792 5.195 1.00 0.00 H new ATOM 0 HB3 LYS A 19 3.669 10.867 3.445 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.268 11.740 3.630 1.00 0.00 H new ATOM 0 HG3 LYS A 19 1.485 11.819 5.367 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.100 14.006 4.703 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.658 13.212 4.808 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.800 12.924 2.402 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.091 13.244 2.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 3.422 15.243 1.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.423 15.496 3.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 4.078 15.187 3.295 1.00 0.00 H new ATOM 310 N VAL A 20 0.254 8.948 3.138 1.00 0.00 N ATOM 311 CA VAL A 20 -0.566 8.818 1.903 1.00 0.00 C ATOM 312 C VAL A 20 -0.563 10.146 1.148 1.00 0.00 C ATOM 313 O VAL A 20 -0.926 11.180 1.675 1.00 0.00 O ATOM 314 CB VAL A 20 -1.974 8.470 2.387 1.00 0.00 C ATOM 315 CG1 VAL A 20 -2.897 8.273 1.181 1.00 0.00 C ATOM 316 CG2 VAL A 20 -1.927 7.177 3.205 1.00 0.00 C ATOM 0 H VAL A 20 -0.235 8.773 4.016 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.182 8.058 1.223 1.00 0.00 H new ATOM 0 HB VAL A 20 -2.354 9.282 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.900 8.025 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.932 9.192 0.596 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -2.517 7.462 0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.930 6.928 3.550 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -1.546 6.367 2.583 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -1.271 7.314 4.065 1.00 0.00 H new ATOM 326 N VAL A 21 -0.166 10.116 -0.089 1.00 0.00 N ATOM 327 CA VAL A 21 -0.139 11.349 -0.909 1.00 0.00 C ATOM 328 C VAL A 21 -1.435 11.381 -1.710 1.00 0.00 C ATOM 329 O VAL A 21 -1.964 12.424 -2.040 1.00 0.00 O ATOM 330 CB VAL A 21 1.096 11.175 -1.798 1.00 0.00 C ATOM 331 CG1 VAL A 21 1.194 12.318 -2.805 1.00 0.00 C ATOM 332 CG2 VAL A 21 2.348 11.173 -0.919 1.00 0.00 C ATOM 0 H VAL A 21 0.146 9.274 -0.573 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.076 12.283 -0.351 1.00 0.00 H new ATOM 0 HB VAL A 21 1.013 10.233 -2.340 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.077 12.179 -3.429 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.304 12.326 -3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.271 13.266 -2.273 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.232 11.049 -1.545 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.415 12.117 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.291 10.351 -0.206 1.00 0.00 H new ATOM 342 N LYS A 22 -1.971 10.220 -1.967 1.00 0.00 N ATOM 343 CA LYS A 22 -3.267 10.117 -2.684 1.00 0.00 C ATOM 344 C LYS A 22 -3.950 8.811 -2.305 1.00 0.00 C ATOM 345 O LYS A 22 -3.319 7.766 -2.215 1.00 0.00 O ATOM 346 CB LYS A 22 -2.964 10.135 -4.170 1.00 0.00 C ATOM 347 CG LYS A 22 -4.169 10.725 -4.885 1.00 0.00 C ATOM 348 CD LYS A 22 -3.758 12.029 -5.562 1.00 0.00 C ATOM 349 CE LYS A 22 -4.650 12.279 -6.780 1.00 0.00 C ATOM 350 NZ LYS A 22 -3.755 12.917 -7.786 1.00 0.00 N ATOM 0 H LYS A 22 -1.557 9.326 -1.705 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.929 10.942 -2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -2.073 10.729 -4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.762 9.126 -4.531 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.549 10.021 -5.625 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.975 10.908 -4.175 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.844 12.858 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.713 11.978 -5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.071 11.348 -7.160 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.489 12.928 -6.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.295 13.120 -8.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -3.375 13.804 -7.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -2.970 12.273 -8.010 1.00 0.00 H new ATOM 364 N GLU A 23 -5.232 8.867 -2.087 1.00 0.00 N ATOM 365 CA GLU A 23 -5.989 7.644 -1.700 1.00 0.00 C ATOM 366 C GLU A 23 -5.800 6.552 -2.743 1.00 0.00 C ATOM 367 O GLU A 23 -5.452 6.814 -3.878 1.00 0.00 O ATOM 368 CB GLU A 23 -7.452 8.084 -1.639 1.00 0.00 C ATOM 369 CG GLU A 23 -8.137 7.412 -0.449 1.00 0.00 C ATOM 370 CD GLU A 23 -8.634 8.481 0.526 1.00 0.00 C ATOM 371 OE1 GLU A 23 -7.824 8.982 1.288 1.00 0.00 O ATOM 372 OE2 GLU A 23 -9.816 8.781 0.493 1.00 0.00 O ATOM 0 H GLU A 23 -5.794 9.715 -2.161 1.00 0.00 H new ATOM 0 HA GLU A 23 -5.648 7.233 -0.750 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.513 9.168 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.962 7.817 -2.564 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -8.973 6.803 -0.794 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -7.440 6.742 0.054 1.00 0.00 H new ATOM 379 N ILE A 24 -6.019 5.325 -2.368 1.00 0.00 N ATOM 380 CA ILE A 24 -5.843 4.222 -3.345 1.00 0.00 C ATOM 381 C ILE A 24 -6.701 4.477 -4.583 1.00 0.00 C ATOM 382 O ILE A 24 -7.882 4.747 -4.496 1.00 0.00 O ATOM 383 CB ILE A 24 -6.277 2.943 -2.609 1.00 0.00 C ATOM 384 CG1 ILE A 24 -5.041 2.250 -2.039 1.00 0.00 C ATOM 385 CG2 ILE A 24 -6.972 1.977 -3.575 1.00 0.00 C ATOM 386 CD1 ILE A 24 -4.038 1.992 -3.171 1.00 0.00 C ATOM 0 H ILE A 24 -6.310 5.041 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 24 -4.814 4.138 -3.694 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.968 3.217 -1.812 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -4.585 2.871 -1.268 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -5.323 1.309 -1.566 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -7.272 1.078 -3.037 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -7.854 2.458 -3.999 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.285 1.708 -4.377 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.154 1.497 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -4.498 1.355 -3.926 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -3.748 2.940 -3.624 1.00 0.00 H new ATOM 398 N ALA A 25 -6.111 4.367 -5.734 1.00 0.00 N ATOM 399 CA ALA A 25 -6.875 4.569 -6.988 1.00 0.00 C ATOM 400 C ALA A 25 -7.044 3.215 -7.668 1.00 0.00 C ATOM 401 O ALA A 25 -6.428 2.250 -7.278 1.00 0.00 O ATOM 402 CB ALA A 25 -6.012 5.502 -7.834 1.00 0.00 C ATOM 0 H ALA A 25 -5.124 4.144 -5.861 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.867 4.992 -6.830 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -6.512 5.700 -8.782 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -5.861 6.441 -7.301 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.047 5.033 -8.024 1.00 0.00 H new ATOM 408 N GLU A 26 -7.869 3.118 -8.666 1.00 0.00 N ATOM 409 CA GLU A 26 -8.044 1.799 -9.326 1.00 0.00 C ATOM 410 C GLU A 26 -7.519 1.845 -10.760 1.00 0.00 C ATOM 411 O GLU A 26 -7.775 2.776 -11.499 1.00 0.00 O ATOM 412 CB GLU A 26 -9.548 1.542 -9.305 1.00 0.00 C ATOM 413 CG GLU A 26 -10.261 2.626 -10.112 1.00 0.00 C ATOM 414 CD GLU A 26 -11.763 2.337 -10.141 1.00 0.00 C ATOM 415 OE1 GLU A 26 -12.169 1.490 -10.919 1.00 0.00 O ATOM 416 OE2 GLU A 26 -12.482 2.969 -9.383 1.00 0.00 O ATOM 0 H GLU A 26 -8.424 3.883 -9.050 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.491 1.008 -8.819 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.766 0.559 -9.724 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -9.913 1.539 -8.278 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -10.077 3.605 -9.669 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -9.866 2.657 -11.128 1.00 0.00 H new ATOM 423 N THR A 27 -6.781 0.846 -11.154 1.00 0.00 N ATOM 424 CA THR A 27 -6.230 0.829 -12.538 1.00 0.00 C ATOM 425 C THR A 27 -7.204 0.124 -13.489 1.00 0.00 C ATOM 426 O THR A 27 -8.314 -0.207 -13.122 1.00 0.00 O ATOM 427 CB THR A 27 -4.918 0.051 -12.430 1.00 0.00 C ATOM 428 OG1 THR A 27 -5.201 -1.336 -12.297 1.00 0.00 O ATOM 429 CG2 THR A 27 -4.136 0.535 -11.208 1.00 0.00 C ATOM 0 H THR A 27 -6.535 0.041 -10.578 1.00 0.00 H new ATOM 0 HA THR A 27 -6.076 1.832 -12.935 1.00 0.00 H new ATOM 0 HB THR A 27 -4.322 0.215 -13.328 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.067 -1.452 -11.854 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.201 -0.020 -11.131 1.00 0.00 H new ATOM 0 HG22 THR A 27 -3.920 1.598 -11.312 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.729 0.372 -10.308 1.00 0.00 H new ATOM 437 N GLN A 28 -6.799 -0.101 -14.708 1.00 0.00 N ATOM 438 CA GLN A 28 -7.704 -0.778 -15.683 1.00 0.00 C ATOM 439 C GLN A 28 -7.410 -2.279 -15.731 1.00 0.00 C ATOM 440 O GLN A 28 -7.978 -3.007 -16.520 1.00 0.00 O ATOM 441 CB GLN A 28 -7.392 -0.127 -17.031 1.00 0.00 C ATOM 442 CG GLN A 28 -7.498 1.394 -16.903 1.00 0.00 C ATOM 443 CD GLN A 28 -6.519 2.057 -17.873 1.00 0.00 C ATOM 444 OE1 GLN A 28 -6.590 1.845 -19.067 1.00 0.00 O ATOM 445 NE2 GLN A 28 -5.600 2.858 -17.407 1.00 0.00 N ATOM 0 H GLN A 28 -5.881 0.154 -15.073 1.00 0.00 H new ATOM 0 HA GLN A 28 -8.754 -0.672 -15.411 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -6.390 -0.406 -17.358 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -8.086 -0.488 -17.790 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -8.516 1.718 -17.119 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -7.277 1.700 -15.880 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -5.540 3.037 -16.405 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -4.942 3.305 -18.045 1.00 0.00 H new ATOM 454 N HIS A 29 -6.525 -2.748 -14.895 1.00 0.00 N ATOM 455 CA HIS A 29 -6.196 -4.203 -14.896 1.00 0.00 C ATOM 456 C HIS A 29 -6.802 -4.883 -13.667 1.00 0.00 C ATOM 457 O HIS A 29 -6.551 -6.042 -13.400 1.00 0.00 O ATOM 458 CB HIS A 29 -4.669 -4.263 -14.844 1.00 0.00 C ATOM 459 CG HIS A 29 -4.133 -4.616 -16.204 1.00 0.00 C ATOM 460 ND1 HIS A 29 -3.640 -5.877 -16.499 1.00 0.00 N ATOM 461 CD2 HIS A 29 -4.007 -3.883 -17.358 1.00 0.00 C ATOM 462 CE1 HIS A 29 -3.243 -5.866 -17.785 1.00 0.00 C ATOM 463 NE2 HIS A 29 -3.443 -4.675 -18.356 1.00 0.00 N ATOM 0 H HIS A 29 -6.015 -2.188 -14.212 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.595 -4.716 -15.771 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.268 -3.302 -14.522 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -4.349 -5.004 -14.112 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -4.300 -2.850 -17.474 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -2.815 -6.717 -18.294 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -3.229 -4.404 -19.316 1.00 0.00 H new ATOM 471 N GLY A 30 -7.593 -4.171 -12.913 1.00 0.00 N ATOM 472 CA GLY A 30 -8.207 -4.774 -11.697 1.00 0.00 C ATOM 473 C GLY A 30 -7.325 -4.474 -10.485 1.00 0.00 C ATOM 474 O GLY A 30 -7.545 -4.979 -9.403 1.00 0.00 O ATOM 0 H GLY A 30 -7.841 -3.197 -13.087 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.208 -4.370 -11.542 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -8.314 -5.851 -11.826 1.00 0.00 H new ATOM 478 N THR A 31 -6.324 -3.654 -10.661 1.00 0.00 N ATOM 479 CA THR A 31 -5.423 -3.321 -9.521 1.00 0.00 C ATOM 480 C THR A 31 -5.836 -1.999 -8.884 1.00 0.00 C ATOM 481 O THR A 31 -6.849 -1.418 -9.217 1.00 0.00 O ATOM 482 CB THR A 31 -4.028 -3.181 -10.133 1.00 0.00 C ATOM 483 OG1 THR A 31 -4.116 -3.269 -11.549 1.00 0.00 O ATOM 484 CG2 THR A 31 -3.136 -4.297 -9.604 1.00 0.00 C ATOM 0 H THR A 31 -6.092 -3.201 -11.545 1.00 0.00 H new ATOM 0 HA THR A 31 -5.461 -4.085 -8.745 1.00 0.00 H new ATOM 0 HB THR A 31 -3.604 -2.214 -9.861 1.00 0.00 H new ATOM 0 HG1 THR A 31 -4.343 -2.390 -11.918 1.00 0.00 H new ATOM 0 HG21 THR A 31 -2.140 -4.203 -10.037 1.00 0.00 H new ATOM 0 HG22 THR A 31 -3.068 -4.225 -8.518 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.561 -5.263 -9.878 1.00 0.00 H new ATOM 492 N ILE A 32 -5.036 -1.513 -7.983 1.00 0.00 N ATOM 493 CA ILE A 32 -5.341 -0.217 -7.327 1.00 0.00 C ATOM 494 C ILE A 32 -4.033 0.524 -7.117 1.00 0.00 C ATOM 495 O ILE A 32 -2.998 -0.073 -6.922 1.00 0.00 O ATOM 496 CB ILE A 32 -6.021 -0.508 -5.981 1.00 0.00 C ATOM 497 CG1 ILE A 32 -6.153 -2.018 -5.734 1.00 0.00 C ATOM 498 CG2 ILE A 32 -7.411 0.124 -5.998 1.00 0.00 C ATOM 499 CD1 ILE A 32 -6.229 -2.284 -4.230 1.00 0.00 C ATOM 0 H ILE A 32 -4.176 -1.962 -7.670 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.006 0.395 -7.937 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.411 -0.089 -5.180 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -7.046 -2.401 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.301 -2.544 -6.164 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.911 -0.072 -5.050 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.320 1.200 -6.145 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.996 -0.305 -6.812 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -6.323 -3.356 -4.054 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -5.323 -1.915 -3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -7.096 -1.771 -3.813 1.00 0.00 H new ATOM 511 N VAL A 33 -4.062 1.813 -7.187 1.00 0.00 N ATOM 512 CA VAL A 33 -2.801 2.585 -7.034 1.00 0.00 C ATOM 513 C VAL A 33 -2.777 3.394 -5.740 1.00 0.00 C ATOM 514 O VAL A 33 -3.730 4.060 -5.394 1.00 0.00 O ATOM 515 CB VAL A 33 -2.801 3.508 -8.241 1.00 0.00 C ATOM 516 CG1 VAL A 33 -1.663 4.515 -8.108 1.00 0.00 C ATOM 517 CG2 VAL A 33 -2.618 2.672 -9.507 1.00 0.00 C ATOM 0 H VAL A 33 -4.901 2.372 -7.343 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.927 1.936 -6.982 1.00 0.00 H new ATOM 0 HB VAL A 33 -3.746 4.048 -8.299 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.661 5.178 -8.973 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.801 5.103 -7.200 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -0.712 3.985 -8.055 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -2.617 3.327 -10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -1.671 2.136 -9.455 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.436 1.956 -9.592 1.00 0.00 H new ATOM 527 N ILE A 34 -1.680 3.355 -5.031 1.00 0.00 N ATOM 528 CA ILE A 34 -1.578 4.131 -3.774 1.00 0.00 C ATOM 529 C ILE A 34 -0.418 5.112 -3.861 1.00 0.00 C ATOM 530 O ILE A 34 0.722 4.729 -3.995 1.00 0.00 O ATOM 531 CB ILE A 34 -1.357 3.090 -2.668 1.00 0.00 C ATOM 532 CG1 ILE A 34 -2.174 3.523 -1.468 1.00 0.00 C ATOM 533 CG2 ILE A 34 0.121 2.988 -2.264 1.00 0.00 C ATOM 534 CD1 ILE A 34 -1.527 4.752 -0.844 1.00 0.00 C ATOM 0 H ILE A 34 -0.850 2.815 -5.275 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.470 4.725 -3.576 1.00 0.00 H new ATOM 0 HB ILE A 34 -1.662 2.109 -3.034 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.197 3.749 -1.771 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.228 2.715 -0.738 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.233 2.240 -1.479 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.716 2.697 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.465 3.955 -1.896 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.109 5.070 0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -0.512 4.509 -0.529 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.496 5.558 -1.577 1.00 0.00 H new ATOM 546 N ARG A 35 -0.693 6.372 -3.765 1.00 0.00 N ATOM 547 CA ARG A 35 0.414 7.357 -3.828 1.00 0.00 C ATOM 548 C ARG A 35 0.753 7.788 -2.408 1.00 0.00 C ATOM 549 O ARG A 35 -0.097 8.252 -1.675 1.00 0.00 O ATOM 550 CB ARG A 35 -0.130 8.514 -4.655 1.00 0.00 C ATOM 551 CG ARG A 35 0.817 9.711 -4.566 1.00 0.00 C ATOM 552 CD ARG A 35 1.149 10.205 -5.973 1.00 0.00 C ATOM 553 NE ARG A 35 2.597 9.910 -6.155 1.00 0.00 N ATOM 554 CZ ARG A 35 3.228 10.350 -7.211 1.00 0.00 C ATOM 555 NH1 ARG A 35 2.594 11.055 -8.109 1.00 0.00 N ATOM 556 NH2 ARG A 35 4.497 10.086 -7.368 1.00 0.00 N ATOM 0 H ARG A 35 -1.627 6.764 -3.647 1.00 0.00 H new ATOM 0 HA ARG A 35 1.327 6.964 -4.276 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -0.244 8.207 -5.695 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -1.120 8.795 -4.295 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.355 10.511 -3.988 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.731 9.427 -4.044 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.545 9.694 -6.723 1.00 0.00 H new ATOM 0 HD3 ARG A 35 0.948 11.272 -6.074 1.00 0.00 H new ATOM 0 HE ARG A 35 3.097 9.363 -5.454 1.00 0.00 H new ATOM 0 HH11 ARG A 35 1.603 11.264 -7.987 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.090 11.397 -8.932 1.00 0.00 H new ATOM 0 HH21 ARG A 35 4.994 9.537 -6.667 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.991 10.429 -8.192 1.00 0.00 H new ATOM 570 N VAL A 36 1.975 7.622 -2.000 1.00 0.00 N ATOM 571 CA VAL A 36 2.339 8.004 -0.626 1.00 0.00 C ATOM 572 C VAL A 36 3.773 8.446 -0.604 1.00 0.00 C ATOM 573 O VAL A 36 4.554 8.123 -1.463 1.00 0.00 O ATOM 574 CB VAL A 36 2.129 6.752 0.235 1.00 0.00 C ATOM 575 CG1 VAL A 36 0.913 5.975 -0.266 1.00 0.00 C ATOM 576 CG2 VAL A 36 3.367 5.848 0.169 1.00 0.00 C ATOM 0 H VAL A 36 2.734 7.238 -2.563 1.00 0.00 H new ATOM 0 HA VAL A 36 1.735 8.829 -0.248 1.00 0.00 H new ATOM 0 HB VAL A 36 1.966 7.064 1.267 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.770 5.087 0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 36 0.027 6.607 -0.204 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.074 5.676 -1.302 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.205 4.963 0.784 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.542 5.545 -0.863 1.00 0.00 H new ATOM 0 HG23 VAL A 36 4.236 6.393 0.539 1.00 0.00 H new ATOM 586 N GLN A 37 4.117 9.187 0.369 1.00 0.00 N ATOM 587 CA GLN A 37 5.489 9.668 0.458 1.00 0.00 C ATOM 588 C GLN A 37 6.185 8.921 1.585 1.00 0.00 C ATOM 589 O GLN A 37 5.693 8.856 2.694 1.00 0.00 O ATOM 590 CB GLN A 37 5.294 11.136 0.777 1.00 0.00 C ATOM 591 CG GLN A 37 6.638 11.866 0.756 1.00 0.00 C ATOM 592 CD GLN A 37 6.745 12.771 1.986 1.00 0.00 C ATOM 593 OE1 GLN A 37 7.222 12.354 3.022 1.00 0.00 O ATOM 594 NE2 GLN A 37 6.318 14.002 1.913 1.00 0.00 N ATOM 0 H GLN A 37 3.499 9.488 1.122 1.00 0.00 H new ATOM 0 HA GLN A 37 6.101 9.521 -0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.616 11.586 0.051 1.00 0.00 H new ATOM 0 HB3 GLN A 37 4.829 11.244 1.757 1.00 0.00 H new ATOM 0 HG2 GLN A 37 7.456 11.145 0.749 1.00 0.00 H new ATOM 0 HG3 GLN A 37 6.728 12.459 -0.154 1.00 0.00 H new ATOM 0 HE21 GLN A 37 5.917 14.352 1.043 1.00 0.00 H new ATOM 0 HE22 GLN A 37 6.385 14.614 2.726 1.00 0.00 H new ATOM 603 N TYR A 38 7.302 8.328 1.311 1.00 0.00 N ATOM 604 CA TYR A 38 7.989 7.555 2.380 1.00 0.00 C ATOM 605 C TYR A 38 8.315 8.468 3.566 1.00 0.00 C ATOM 606 O TYR A 38 8.935 9.498 3.423 1.00 0.00 O ATOM 607 CB TYR A 38 9.271 7.031 1.727 1.00 0.00 C ATOM 608 CG TYR A 38 10.102 6.278 2.743 1.00 0.00 C ATOM 609 CD1 TYR A 38 9.511 5.788 3.915 1.00 0.00 C ATOM 610 CD2 TYR A 38 11.466 6.069 2.509 1.00 0.00 C ATOM 611 CE1 TYR A 38 10.285 5.092 4.852 1.00 0.00 C ATOM 612 CE2 TYR A 38 12.240 5.373 3.446 1.00 0.00 C ATOM 613 CZ TYR A 38 11.649 4.885 4.617 1.00 0.00 C ATOM 614 OH TYR A 38 12.410 4.198 5.541 1.00 0.00 O ATOM 0 H TYR A 38 7.770 8.341 0.405 1.00 0.00 H new ATOM 0 HA TYR A 38 7.373 6.744 2.769 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.022 6.376 0.892 1.00 0.00 H new ATOM 0 HB3 TYR A 38 9.846 7.862 1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 38 8.458 5.947 4.096 1.00 0.00 H new ATOM 0 HD2 TYR A 38 11.922 6.445 1.605 1.00 0.00 H new ATOM 0 HE1 TYR A 38 9.829 4.715 5.756 1.00 0.00 H new ATOM 0 HE2 TYR A 38 13.293 5.213 3.265 1.00 0.00 H new ATOM 0 HH TYR A 38 13.246 3.904 5.123 1.00 0.00 H new ATOM 624 N GLU A 39 7.884 8.097 4.739 1.00 0.00 N ATOM 625 CA GLU A 39 8.158 8.938 5.939 1.00 0.00 C ATOM 626 C GLU A 39 9.129 8.210 6.868 1.00 0.00 C ATOM 627 O GLU A 39 8.726 7.491 7.761 1.00 0.00 O ATOM 628 CB GLU A 39 6.800 9.112 6.618 1.00 0.00 C ATOM 629 CG GLU A 39 6.068 10.304 5.999 1.00 0.00 C ATOM 630 CD GLU A 39 6.813 11.595 6.340 1.00 0.00 C ATOM 631 OE1 GLU A 39 7.814 11.866 5.697 1.00 0.00 O ATOM 632 OE2 GLU A 39 6.372 12.292 7.239 1.00 0.00 O ATOM 0 H GLU A 39 7.352 7.245 4.920 1.00 0.00 H new ATOM 0 HA GLU A 39 8.610 9.896 5.683 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.205 8.206 6.502 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.934 9.270 7.688 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.005 10.183 4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.046 10.352 6.375 1.00 0.00 H new ATOM 639 N GLY A 40 10.403 8.380 6.663 1.00 0.00 N ATOM 640 CA GLY A 40 11.389 7.686 7.533 1.00 0.00 C ATOM 641 C GLY A 40 12.767 7.725 6.886 1.00 0.00 C ATOM 642 O GLY A 40 13.101 8.636 6.155 1.00 0.00 O ATOM 0 H GLY A 40 10.804 8.968 5.932 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.423 8.164 8.512 1.00 0.00 H new ATOM 0 HA3 GLY A 40 11.082 6.653 7.693 1.00 0.00 H new ATOM 646 N ASP A 41 13.569 6.738 7.154 1.00 0.00 N ATOM 647 CA ASP A 41 14.936 6.707 6.560 1.00 0.00 C ATOM 648 C ASP A 41 15.101 5.482 5.660 1.00 0.00 C ATOM 649 O ASP A 41 14.688 4.391 6.002 1.00 0.00 O ATOM 650 CB ASP A 41 15.887 6.630 7.755 1.00 0.00 C ATOM 651 CG ASP A 41 16.842 7.824 7.725 1.00 0.00 C ATOM 652 OD1 ASP A 41 16.463 8.848 7.180 1.00 0.00 O ATOM 653 OD2 ASP A 41 17.938 7.695 8.247 1.00 0.00 O ATOM 0 H ASP A 41 13.340 5.949 7.759 1.00 0.00 H new ATOM 0 HA ASP A 41 15.133 7.580 5.938 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.319 6.628 8.685 1.00 0.00 H new ATOM 0 HB3 ASP A 41 16.452 5.698 7.724 1.00 0.00 H new ATOM 658 N GLY A 42 15.702 5.648 4.513 1.00 0.00 N ATOM 659 CA GLY A 42 15.887 4.485 3.604 1.00 0.00 C ATOM 660 C GLY A 42 16.460 4.937 2.260 1.00 0.00 C ATOM 661 O GLY A 42 17.084 4.164 1.560 1.00 0.00 O ATOM 0 H GLY A 42 16.071 6.535 4.169 1.00 0.00 H new ATOM 0 HA2 GLY A 42 16.557 3.759 4.065 1.00 0.00 H new ATOM 0 HA3 GLY A 42 14.932 3.983 3.448 1.00 0.00 H new ATOM 665 N SER A 43 16.257 6.170 1.877 1.00 0.00 N ATOM 666 CA SER A 43 16.803 6.611 0.565 1.00 0.00 C ATOM 667 C SER A 43 16.393 5.571 -0.488 1.00 0.00 C ATOM 668 O SER A 43 15.433 4.862 -0.273 1.00 0.00 O ATOM 669 CB SER A 43 18.310 6.625 0.800 1.00 0.00 C ATOM 670 OG SER A 43 18.903 7.675 0.048 1.00 0.00 O ATOM 0 H SER A 43 15.747 6.877 2.406 1.00 0.00 H new ATOM 0 HA SER A 43 16.447 7.579 0.213 1.00 0.00 H new ATOM 0 HB2 SER A 43 18.521 6.761 1.861 1.00 0.00 H new ATOM 0 HB3 SER A 43 18.742 5.668 0.509 1.00 0.00 H new ATOM 0 HG SER A 43 19.871 7.682 0.203 1.00 0.00 H new ATOM 676 N PRO A 44 17.116 5.478 -1.580 1.00 0.00 N ATOM 677 CA PRO A 44 16.762 4.467 -2.599 1.00 0.00 C ATOM 678 C PRO A 44 16.552 3.132 -1.885 1.00 0.00 C ATOM 679 O PRO A 44 17.483 2.402 -1.606 1.00 0.00 O ATOM 680 CB PRO A 44 17.973 4.440 -3.526 1.00 0.00 C ATOM 681 CG PRO A 44 18.617 5.780 -3.357 1.00 0.00 C ATOM 682 CD PRO A 44 18.286 6.266 -1.966 1.00 0.00 C ATOM 0 HA PRO A 44 15.850 4.678 -3.157 1.00 0.00 H new ATOM 0 HB2 PRO A 44 18.658 3.636 -3.258 1.00 0.00 H new ATOM 0 HB3 PRO A 44 17.675 4.273 -4.561 1.00 0.00 H new ATOM 0 HG2 PRO A 44 19.696 5.707 -3.492 1.00 0.00 H new ATOM 0 HG3 PRO A 44 18.249 6.481 -4.106 1.00 0.00 H new ATOM 0 HD2 PRO A 44 19.118 6.106 -1.280 1.00 0.00 H new ATOM 0 HD3 PRO A 44 18.067 7.334 -1.959 1.00 0.00 H new ATOM 690 N CYS A 45 15.331 2.840 -1.546 1.00 0.00 N ATOM 691 CA CYS A 45 15.026 1.589 -0.799 1.00 0.00 C ATOM 692 C CYS A 45 13.635 1.084 -1.201 1.00 0.00 C ATOM 693 O CYS A 45 12.924 1.737 -1.935 1.00 0.00 O ATOM 694 CB CYS A 45 15.100 2.029 0.678 1.00 0.00 C ATOM 695 SG CYS A 45 13.844 1.202 1.688 1.00 0.00 S ATOM 0 H CYS A 45 14.520 3.421 -1.757 1.00 0.00 H new ATOM 0 HA CYS A 45 15.706 0.761 -1.000 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.090 1.806 1.075 1.00 0.00 H new ATOM 0 HB3 CYS A 45 14.966 3.109 0.743 1.00 0.00 H new ATOM 700 N LYS A 46 13.245 -0.074 -0.743 1.00 0.00 N ATOM 701 CA LYS A 46 11.910 -0.608 -1.137 1.00 0.00 C ATOM 702 C LYS A 46 10.808 -0.141 -0.184 1.00 0.00 C ATOM 703 O LYS A 46 11.061 0.515 0.804 1.00 0.00 O ATOM 704 CB LYS A 46 12.059 -2.127 -1.084 1.00 0.00 C ATOM 705 CG LYS A 46 12.209 -2.679 -2.502 1.00 0.00 C ATOM 706 CD LYS A 46 12.702 -4.126 -2.437 1.00 0.00 C ATOM 707 CE LYS A 46 11.703 -4.971 -1.642 1.00 0.00 C ATOM 708 NZ LYS A 46 12.523 -5.674 -0.617 1.00 0.00 N ATOM 0 H LYS A 46 13.788 -0.670 -0.118 1.00 0.00 H new ATOM 0 HA LYS A 46 11.618 -0.253 -2.125 1.00 0.00 H new ATOM 0 HB2 LYS A 46 12.929 -2.396 -0.485 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.189 -2.571 -0.601 1.00 0.00 H new ATOM 0 HG2 LYS A 46 11.254 -2.632 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 46 12.913 -2.069 -3.069 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.815 -4.528 -3.444 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.684 -4.166 -1.966 1.00 0.00 H new ATOM 0 HE2 LYS A 46 10.940 -4.347 -1.177 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.185 -5.680 -2.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 11.907 -6.274 -0.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.236 -6.266 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 12.999 -4.974 -0.013 1.00 0.00 H new ATOM 722 N ILE A 47 9.578 -0.449 -0.507 1.00 0.00 N ATOM 723 CA ILE A 47 8.437 0.004 0.340 1.00 0.00 C ATOM 724 C ILE A 47 7.566 -1.168 0.806 1.00 0.00 C ATOM 725 O ILE A 47 7.134 -1.980 0.011 1.00 0.00 O ATOM 726 CB ILE A 47 7.640 0.909 -0.593 1.00 0.00 C ATOM 727 CG1 ILE A 47 8.610 1.836 -1.323 1.00 0.00 C ATOM 728 CG2 ILE A 47 6.639 1.736 0.212 1.00 0.00 C ATOM 729 CD1 ILE A 47 9.334 2.713 -0.304 1.00 0.00 C ATOM 0 H ILE A 47 9.315 -0.998 -1.326 1.00 0.00 H new ATOM 0 HA ILE A 47 8.776 0.498 1.251 1.00 0.00 H new ATOM 0 HB ILE A 47 7.091 0.304 -1.314 1.00 0.00 H new ATOM 0 HG12 ILE A 47 9.331 1.250 -1.893 1.00 0.00 H new ATOM 0 HG13 ILE A 47 8.069 2.458 -2.036 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.074 2.380 -0.462 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.954 1.069 0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.174 2.350 0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 47 10.027 3.376 -0.822 1.00 0.00 H new ATOM 0 HD12 ILE A 47 8.605 3.308 0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 47 9.887 2.082 0.392 1.00 0.00 H new ATOM 741 N PRO A 48 7.320 -1.198 2.090 1.00 0.00 N ATOM 742 CA PRO A 48 6.468 -2.257 2.697 1.00 0.00 C ATOM 743 C PRO A 48 5.032 -2.178 2.168 1.00 0.00 C ATOM 744 O PRO A 48 4.526 -1.115 1.867 1.00 0.00 O ATOM 745 CB PRO A 48 6.481 -1.916 4.184 1.00 0.00 C ATOM 746 CG PRO A 48 7.679 -1.048 4.371 1.00 0.00 C ATOM 747 CD PRO A 48 7.815 -0.263 3.102 1.00 0.00 C ATOM 0 HA PRO A 48 6.830 -3.260 2.472 1.00 0.00 H new ATOM 0 HB2 PRO A 48 5.568 -1.398 4.478 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.547 -2.816 4.795 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.553 -0.387 5.228 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.570 -1.647 4.558 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.226 0.654 3.128 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.849 0.027 2.914 1.00 0.00 H new ATOM 755 N PHE A 49 4.372 -3.298 2.060 1.00 0.00 N ATOM 756 CA PHE A 49 2.973 -3.304 1.561 1.00 0.00 C ATOM 757 C PHE A 49 2.226 -4.540 2.070 1.00 0.00 C ATOM 758 O PHE A 49 2.826 -5.539 2.415 1.00 0.00 O ATOM 759 CB PHE A 49 3.129 -3.374 0.056 1.00 0.00 C ATOM 760 CG PHE A 49 1.867 -2.869 -0.606 1.00 0.00 C ATOM 761 CD1 PHE A 49 0.753 -3.712 -0.725 1.00 0.00 C ATOM 762 CD2 PHE A 49 1.803 -1.556 -1.089 1.00 0.00 C ATOM 763 CE1 PHE A 49 -0.420 -3.242 -1.326 1.00 0.00 C ATOM 764 CE2 PHE A 49 0.630 -1.088 -1.693 1.00 0.00 C ATOM 765 CZ PHE A 49 -0.482 -1.930 -1.811 1.00 0.00 C ATOM 0 H PHE A 49 4.748 -4.216 2.299 1.00 0.00 H new ATOM 0 HA PHE A 49 2.404 -2.436 1.893 1.00 0.00 H new ATOM 0 HB2 PHE A 49 3.983 -2.775 -0.260 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.328 -4.400 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 49 0.800 -4.725 -0.353 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.659 -0.904 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.278 -3.892 -1.416 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.583 -0.076 -2.068 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.387 -1.568 -2.276 1.00 0.00 H new ATOM 775 N GLU A 50 0.920 -4.487 2.112 1.00 0.00 N ATOM 776 CA GLU A 50 0.146 -5.668 2.590 1.00 0.00 C ATOM 777 C GLU A 50 -1.359 -5.410 2.450 1.00 0.00 C ATOM 778 O GLU A 50 -1.977 -4.811 3.308 1.00 0.00 O ATOM 779 CB GLU A 50 0.533 -5.829 4.060 1.00 0.00 C ATOM 780 CG GLU A 50 -0.476 -6.741 4.760 1.00 0.00 C ATOM 781 CD GLU A 50 -0.072 -6.921 6.224 1.00 0.00 C ATOM 782 OE1 GLU A 50 1.076 -7.254 6.464 1.00 0.00 O ATOM 783 OE2 GLU A 50 -0.917 -6.724 7.080 1.00 0.00 O ATOM 0 H GLU A 50 0.359 -3.680 1.837 1.00 0.00 H new ATOM 0 HA GLU A 50 0.366 -6.566 2.013 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.535 -6.251 4.138 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.558 -4.855 4.549 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.475 -6.310 4.698 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.514 -7.709 4.261 1.00 0.00 H new ATOM 790 N ILE A 51 -1.952 -5.862 1.376 1.00 0.00 N ATOM 791 CA ILE A 51 -3.416 -5.643 1.188 1.00 0.00 C ATOM 792 C ILE A 51 -4.188 -6.269 2.357 1.00 0.00 C ATOM 793 O ILE A 51 -5.190 -5.745 2.802 1.00 0.00 O ATOM 794 CB ILE A 51 -3.752 -6.321 -0.153 1.00 0.00 C ATOM 795 CG1 ILE A 51 -3.631 -5.288 -1.278 1.00 0.00 C ATOM 796 CG2 ILE A 51 -5.184 -6.868 -0.131 1.00 0.00 C ATOM 797 CD1 ILE A 51 -2.519 -5.700 -2.245 1.00 0.00 C ATOM 0 H ILE A 51 -1.488 -6.371 0.624 1.00 0.00 H new ATOM 0 HA ILE A 51 -3.691 -4.588 1.170 1.00 0.00 H new ATOM 0 HB ILE A 51 -3.059 -7.146 -0.317 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -4.578 -5.206 -1.812 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -3.415 -4.305 -0.859 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -5.406 -7.344 -1.086 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -5.282 -7.600 0.671 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -5.884 -6.049 0.038 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -2.438 -4.961 -3.042 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.573 -5.759 -1.707 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -2.753 -6.674 -2.675 1.00 0.00 H new ATOM 970 N GLY A 61 -4.766 -10.829 -2.219 1.00 0.00 N ATOM 971 CA GLY A 61 -4.384 -9.599 -2.970 1.00 0.00 C ATOM 972 C GLY A 61 -3.048 -9.831 -3.679 1.00 0.00 C ATOM 973 O GLY A 61 -2.414 -10.853 -3.505 1.00 0.00 O ATOM 0 HA2 GLY A 61 -5.156 -9.349 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.304 -8.753 -2.287 1.00 0.00 H new ATOM 977 N ARG A 62 -2.613 -8.891 -4.472 1.00 0.00 N ATOM 978 CA ARG A 62 -1.317 -9.059 -5.184 1.00 0.00 C ATOM 979 C ARG A 62 -0.684 -7.698 -5.412 1.00 0.00 C ATOM 980 O ARG A 62 -1.339 -6.679 -5.324 1.00 0.00 O ATOM 981 CB ARG A 62 -1.668 -9.691 -6.529 1.00 0.00 C ATOM 982 CG ARG A 62 -0.735 -10.873 -6.791 1.00 0.00 C ATOM 983 CD ARG A 62 0.489 -10.393 -7.575 1.00 0.00 C ATOM 984 NE ARG A 62 1.659 -10.944 -6.836 1.00 0.00 N ATOM 985 CZ ARG A 62 1.925 -12.221 -6.888 1.00 0.00 C ATOM 986 NH1 ARG A 62 1.172 -13.022 -7.592 1.00 0.00 N ATOM 987 NH2 ARG A 62 2.950 -12.699 -6.235 1.00 0.00 N ATOM 0 H ARG A 62 -3.100 -8.014 -4.657 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.615 -9.670 -4.617 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -2.705 -10.025 -6.527 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -1.572 -8.954 -7.326 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -0.423 -11.320 -5.847 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -1.259 -11.646 -7.352 1.00 0.00 H new ATOM 0 HD2 ARG A 62 0.466 -10.754 -8.603 1.00 0.00 H new ATOM 0 HD3 ARG A 62 0.527 -9.305 -7.620 1.00 0.00 H new ATOM 0 HE ARG A 62 2.254 -10.322 -6.288 1.00 0.00 H new ATOM 0 HH11 ARG A 62 0.372 -12.651 -8.104 1.00 0.00 H new ATOM 0 HH12 ARG A 62 1.384 -14.019 -7.630 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.541 -12.075 -5.686 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.160 -13.696 -6.274 1.00 0.00 H new ATOM 1001 N LEU A 63 0.575 -7.660 -5.716 1.00 0.00 N ATOM 1002 CA LEU A 63 1.205 -6.347 -5.959 1.00 0.00 C ATOM 1003 C LEU A 63 1.846 -6.313 -7.340 1.00 0.00 C ATOM 1004 O LEU A 63 2.733 -7.083 -7.651 1.00 0.00 O ATOM 1005 CB LEU A 63 2.254 -6.181 -4.867 1.00 0.00 C ATOM 1006 CG LEU A 63 1.642 -5.444 -3.676 1.00 0.00 C ATOM 1007 CD1 LEU A 63 2.686 -5.319 -2.575 1.00 0.00 C ATOM 1008 CD2 LEU A 63 1.199 -4.042 -4.096 1.00 0.00 C ATOM 0 H LEU A 63 1.188 -8.471 -5.806 1.00 0.00 H new ATOM 0 HA LEU A 63 0.476 -5.537 -5.932 1.00 0.00 H new ATOM 0 HB2 LEU A 63 2.624 -7.157 -4.553 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.109 -5.625 -5.251 1.00 0.00 H new ATOM 0 HG LEU A 63 0.778 -6.004 -3.317 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.255 -4.794 -1.723 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.008 -6.313 -2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.544 -4.760 -2.949 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.764 -3.526 -3.240 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.061 -3.481 -4.459 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.456 -4.118 -4.890 1.00 0.00 H new ATOM 1020 N ILE A 64 1.422 -5.399 -8.159 1.00 0.00 N ATOM 1021 CA ILE A 64 2.018 -5.271 -9.511 1.00 0.00 C ATOM 1022 C ILE A 64 3.279 -4.442 -9.364 1.00 0.00 C ATOM 1023 O ILE A 64 4.245 -4.585 -10.087 1.00 0.00 O ATOM 1024 CB ILE A 64 0.967 -4.518 -10.319 1.00 0.00 C ATOM 1025 CG1 ILE A 64 -0.380 -5.259 -10.261 1.00 0.00 C ATOM 1026 CG2 ILE A 64 1.426 -4.385 -11.768 1.00 0.00 C ATOM 1027 CD1 ILE A 64 -0.168 -6.776 -10.187 1.00 0.00 C ATOM 0 H ILE A 64 0.682 -4.730 -7.948 1.00 0.00 H new ATOM 0 HA ILE A 64 2.275 -6.218 -9.986 1.00 0.00 H new ATOM 0 HB ILE A 64 0.839 -3.524 -9.891 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -0.946 -4.924 -9.392 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.973 -5.013 -11.142 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.671 -3.846 -12.341 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.368 -3.837 -11.803 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.568 -5.377 -12.197 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -1.135 -7.277 -10.147 1.00 0.00 H new ATOM 0 HD12 ILE A 64 0.378 -7.111 -11.069 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.404 -7.020 -9.292 1.00 0.00 H new ATOM 1039 N THR A 65 3.253 -3.587 -8.392 1.00 0.00 N ATOM 1040 CA THR A 65 4.407 -2.719 -8.095 1.00 0.00 C ATOM 1041 C THR A 65 5.175 -3.345 -6.928 1.00 0.00 C ATOM 1042 O THR A 65 5.702 -2.676 -6.062 1.00 0.00 O ATOM 1043 CB THR A 65 3.743 -1.395 -7.716 1.00 0.00 C ATOM 1044 OG1 THR A 65 3.383 -0.695 -8.897 1.00 0.00 O ATOM 1045 CG2 THR A 65 4.691 -0.541 -6.891 1.00 0.00 C ATOM 0 H THR A 65 2.453 -3.452 -7.773 1.00 0.00 H new ATOM 0 HA THR A 65 5.124 -2.587 -8.905 1.00 0.00 H new ATOM 0 HB THR A 65 2.853 -1.604 -7.122 1.00 0.00 H new ATOM 0 HG1 THR A 65 3.414 0.270 -8.728 1.00 0.00 H new ATOM 0 HG21 THR A 65 4.202 0.397 -6.630 1.00 0.00 H new ATOM 0 HG22 THR A 65 4.962 -1.074 -5.980 1.00 0.00 H new ATOM 0 HG23 THR A 65 5.590 -0.333 -7.470 1.00 0.00 H new ATOM 1053 N VAL A 66 5.215 -4.647 -6.908 1.00 0.00 N ATOM 1054 CA VAL A 66 5.916 -5.374 -5.811 1.00 0.00 C ATOM 1055 C VAL A 66 7.188 -4.643 -5.397 1.00 0.00 C ATOM 1056 O VAL A 66 7.775 -3.908 -6.164 1.00 0.00 O ATOM 1057 CB VAL A 66 6.261 -6.744 -6.394 1.00 0.00 C ATOM 1058 CG1 VAL A 66 7.245 -7.462 -5.467 1.00 0.00 C ATOM 1059 CG2 VAL A 66 4.986 -7.578 -6.522 1.00 0.00 C ATOM 0 H VAL A 66 4.787 -5.247 -7.613 1.00 0.00 H new ATOM 0 HA VAL A 66 5.294 -5.449 -4.919 1.00 0.00 H new ATOM 0 HB VAL A 66 6.715 -6.615 -7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.490 -8.439 -5.883 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.155 -6.869 -5.372 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.792 -7.590 -4.484 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.231 -8.555 -6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.534 -7.705 -5.538 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.283 -7.069 -7.181 1.00 0.00 H new ATOM 1069 N ASN A 67 7.615 -4.862 -4.185 1.00 0.00 N ATOM 1070 CA ASN A 67 8.857 -4.210 -3.685 1.00 0.00 C ATOM 1071 C ASN A 67 8.998 -2.785 -4.230 1.00 0.00 C ATOM 1072 O ASN A 67 10.016 -2.439 -4.796 1.00 0.00 O ATOM 1073 CB ASN A 67 9.994 -5.102 -4.192 1.00 0.00 C ATOM 1074 CG ASN A 67 9.981 -5.148 -5.723 1.00 0.00 C ATOM 1075 OD1 ASN A 67 9.870 -6.299 -6.328 1.00 0.00 O flip ATOM 1076 ND2 ASN A 67 10.081 -4.129 -6.377 1.00 0.00 N flip ATOM 0 H ASN A 67 7.151 -5.472 -3.512 1.00 0.00 H new ATOM 0 HA ASN A 67 8.857 -4.114 -2.599 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.952 -4.720 -3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 67 9.885 -6.109 -3.789 1.00 0.00 H new ATOM 0 HD21 ASN A 67 10.168 -3.228 -5.907 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.078 -4.175 -7.396 1.00 0.00 H new ATOM 1083 N PRO A 68 7.978 -1.995 -4.027 1.00 0.00 N ATOM 1084 CA PRO A 68 8.020 -0.593 -4.496 1.00 0.00 C ATOM 1085 C PRO A 68 9.259 0.074 -3.913 1.00 0.00 C ATOM 1086 O PRO A 68 9.834 -0.429 -2.972 1.00 0.00 O ATOM 1087 CB PRO A 68 6.741 0.039 -3.949 1.00 0.00 C ATOM 1088 CG PRO A 68 5.874 -1.093 -3.477 1.00 0.00 C ATOM 1089 CD PRO A 68 6.727 -2.331 -3.347 1.00 0.00 C ATOM 0 HA PRO A 68 8.073 -0.494 -5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 68 6.966 0.723 -3.131 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.235 0.620 -4.720 1.00 0.00 H new ATOM 0 HG2 PRO A 68 5.418 -0.846 -2.519 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.061 -1.266 -4.182 1.00 0.00 H new ATOM 0 HD2 PRO A 68 6.901 -2.584 -2.301 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.245 -3.194 -3.808 1.00 0.00 H new ATOM 1097 N ILE A 69 9.700 1.174 -4.464 1.00 0.00 N ATOM 1098 CA ILE A 69 10.934 1.809 -3.916 1.00 0.00 C ATOM 1099 C ILE A 69 10.870 3.338 -3.928 1.00 0.00 C ATOM 1100 O ILE A 69 10.351 3.948 -4.842 1.00 0.00 O ATOM 1101 CB ILE A 69 12.049 1.354 -4.859 1.00 0.00 C ATOM 1102 CG1 ILE A 69 12.168 -0.185 -4.811 1.00 0.00 C ATOM 1103 CG2 ILE A 69 13.369 2.034 -4.452 1.00 0.00 C ATOM 1104 CD1 ILE A 69 13.636 -0.622 -4.711 1.00 0.00 C ATOM 0 H ILE A 69 9.269 1.653 -5.255 1.00 0.00 H new ATOM 0 HA ILE A 69 11.081 1.519 -2.875 1.00 0.00 H new ATOM 0 HB ILE A 69 11.818 1.643 -5.884 1.00 0.00 H new ATOM 0 HG12 ILE A 69 11.612 -0.570 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 69 11.717 -0.616 -5.705 1.00 0.00 H new ATOM 0 HG21 ILE A 69 14.166 1.712 -5.122 1.00 0.00 H new ATOM 0 HG22 ILE A 69 13.256 3.116 -4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.621 1.756 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 69 13.690 -1.710 -4.679 1.00 0.00 H new ATOM 0 HD12 ILE A 69 14.184 -0.257 -5.579 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.077 -0.210 -3.804 1.00 0.00 H new ATOM 1116 N VAL A 70 11.467 3.955 -2.941 1.00 0.00 N ATOM 1117 CA VAL A 70 11.526 5.449 -2.910 1.00 0.00 C ATOM 1118 C VAL A 70 12.922 5.858 -3.377 1.00 0.00 C ATOM 1119 O VAL A 70 13.836 5.056 -3.360 1.00 0.00 O ATOM 1120 CB VAL A 70 11.308 5.869 -1.453 1.00 0.00 C ATOM 1121 CG1 VAL A 70 11.306 7.395 -1.349 1.00 0.00 C ATOM 1122 CG2 VAL A 70 9.963 5.339 -0.960 1.00 0.00 C ATOM 0 H VAL A 70 11.917 3.489 -2.153 1.00 0.00 H new ATOM 0 HA VAL A 70 10.777 5.917 -3.549 1.00 0.00 H new ATOM 0 HB VAL A 70 12.113 5.459 -0.843 1.00 0.00 H new ATOM 0 HG11 VAL A 70 11.151 7.689 -0.311 1.00 0.00 H new ATOM 0 HG12 VAL A 70 12.263 7.785 -1.697 1.00 0.00 H new ATOM 0 HG13 VAL A 70 10.503 7.801 -1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 70 9.811 5.640 0.077 1.00 0.00 H new ATOM 0 HG22 VAL A 70 9.163 5.747 -1.577 1.00 0.00 H new ATOM 0 HG23 VAL A 70 9.954 4.251 -1.027 1.00 0.00 H new ATOM 1132 N THR A 71 13.113 7.071 -3.801 1.00 0.00 N ATOM 1133 CA THR A 71 14.474 7.461 -4.266 1.00 0.00 C ATOM 1134 C THR A 71 15.073 8.550 -3.379 1.00 0.00 C ATOM 1135 O THR A 71 16.270 8.758 -3.371 1.00 0.00 O ATOM 1136 CB THR A 71 14.283 7.980 -5.689 1.00 0.00 C ATOM 1137 OG1 THR A 71 13.331 7.171 -6.365 1.00 0.00 O ATOM 1138 CG2 THR A 71 15.623 7.925 -6.423 1.00 0.00 C ATOM 0 H THR A 71 12.402 7.801 -3.847 1.00 0.00 H new ATOM 0 HA THR A 71 15.163 6.617 -4.224 1.00 0.00 H new ATOM 0 HB THR A 71 13.923 9.008 -5.663 1.00 0.00 H new ATOM 0 HG1 THR A 71 13.207 7.505 -7.278 1.00 0.00 H new ATOM 0 HG21 THR A 71 15.496 8.294 -7.441 1.00 0.00 H new ATOM 0 HG22 THR A 71 16.350 8.546 -5.900 1.00 0.00 H new ATOM 0 HG23 THR A 71 15.980 6.895 -6.452 1.00 0.00 H new ATOM 1146 N GLU A 72 14.268 9.256 -2.638 1.00 0.00 N ATOM 1147 CA GLU A 72 14.834 10.329 -1.776 1.00 0.00 C ATOM 1148 C GLU A 72 14.185 10.329 -0.393 1.00 0.00 C ATOM 1149 O GLU A 72 14.311 11.278 0.354 1.00 0.00 O ATOM 1150 CB GLU A 72 14.525 11.630 -2.515 1.00 0.00 C ATOM 1151 CG GLU A 72 15.182 11.602 -3.895 1.00 0.00 C ATOM 1152 CD GLU A 72 16.094 12.821 -4.052 1.00 0.00 C ATOM 1153 OE1 GLU A 72 16.469 13.391 -3.041 1.00 0.00 O ATOM 1154 OE2 GLU A 72 16.401 13.163 -5.182 1.00 0.00 O ATOM 0 H GLU A 72 13.256 9.140 -2.591 1.00 0.00 H new ATOM 0 HA GLU A 72 15.902 10.191 -1.609 1.00 0.00 H new ATOM 0 HB2 GLU A 72 13.447 11.756 -2.616 1.00 0.00 H new ATOM 0 HB3 GLU A 72 14.893 12.482 -1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 72 15.759 10.685 -4.016 1.00 0.00 H new ATOM 0 HG3 GLU A 72 14.418 11.603 -4.673 1.00 0.00 H new ATOM 1161 N LYS A 73 13.491 9.276 -0.049 1.00 0.00 N ATOM 1162 CA LYS A 73 12.827 9.198 1.293 1.00 0.00 C ATOM 1163 C LYS A 73 11.578 10.078 1.339 1.00 0.00 C ATOM 1164 O LYS A 73 10.800 10.002 2.261 1.00 0.00 O ATOM 1165 CB LYS A 73 13.856 9.701 2.307 1.00 0.00 C ATOM 1166 CG LYS A 73 15.243 9.171 1.942 1.00 0.00 C ATOM 1167 CD LYS A 73 16.067 8.975 3.217 1.00 0.00 C ATOM 1168 CE LYS A 73 16.414 10.340 3.816 1.00 0.00 C ATOM 1169 NZ LYS A 73 17.898 10.336 3.949 1.00 0.00 N ATOM 0 H LYS A 73 13.353 8.458 -0.643 1.00 0.00 H new ATOM 0 HA LYS A 73 12.509 8.178 1.509 1.00 0.00 H new ATOM 0 HB2 LYS A 73 13.865 10.791 2.320 1.00 0.00 H new ATOM 0 HB3 LYS A 73 13.583 9.372 3.310 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.153 8.226 1.406 1.00 0.00 H new ATOM 0 HG3 LYS A 73 15.747 9.870 1.275 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.505 8.382 3.938 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.979 8.422 2.992 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.078 11.151 3.171 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.931 10.481 4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 18.213 11.241 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 18.188 9.557 4.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 18.330 10.207 3.012 1.00 0.00 H new ATOM 1183 N ASP A 74 11.381 10.915 0.365 1.00 0.00 N ATOM 1184 CA ASP A 74 10.179 11.792 0.376 1.00 0.00 C ATOM 1185 C ASP A 74 9.504 11.779 -0.994 1.00 0.00 C ATOM 1186 O ASP A 74 8.507 12.436 -1.211 1.00 0.00 O ATOM 1187 CB ASP A 74 10.715 13.185 0.701 1.00 0.00 C ATOM 1188 CG ASP A 74 9.586 14.048 1.267 1.00 0.00 C ATOM 1189 OD1 ASP A 74 8.583 14.196 0.590 1.00 0.00 O ATOM 1190 OD2 ASP A 74 9.745 14.548 2.369 1.00 0.00 O ATOM 0 H ASP A 74 11.998 11.031 -0.439 1.00 0.00 H new ATOM 0 HA ASP A 74 9.431 11.464 1.098 1.00 0.00 H new ATOM 0 HB2 ASP A 74 11.529 13.114 1.422 1.00 0.00 H new ATOM 0 HB3 ASP A 74 11.125 13.647 -0.197 1.00 0.00 H new ATOM 1195 N SER A 75 10.034 11.030 -1.920 1.00 0.00 N ATOM 1196 CA SER A 75 9.411 10.973 -3.270 1.00 0.00 C ATOM 1197 C SER A 75 8.111 10.168 -3.200 1.00 0.00 C ATOM 1198 O SER A 75 8.137 8.965 -3.033 1.00 0.00 O ATOM 1199 CB SER A 75 10.440 10.262 -4.149 1.00 0.00 C ATOM 1200 OG SER A 75 9.994 10.280 -5.500 1.00 0.00 O ATOM 0 H SER A 75 10.869 10.457 -1.800 1.00 0.00 H new ATOM 0 HA SER A 75 9.160 11.959 -3.661 1.00 0.00 H new ATOM 0 HB2 SER A 75 11.409 10.755 -4.067 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.576 9.234 -3.812 1.00 0.00 H new ATOM 0 HG SER A 75 10.652 9.826 -6.068 1.00 0.00 H new ATOM 1206 N PRO A 76 7.009 10.861 -3.323 1.00 0.00 N ATOM 1207 CA PRO A 76 5.688 10.194 -3.263 1.00 0.00 C ATOM 1208 C PRO A 76 5.649 9.024 -4.250 1.00 0.00 C ATOM 1209 O PRO A 76 5.705 9.207 -5.450 1.00 0.00 O ATOM 1210 CB PRO A 76 4.689 11.283 -3.667 1.00 0.00 C ATOM 1211 CG PRO A 76 5.506 12.464 -4.103 1.00 0.00 C ATOM 1212 CD PRO A 76 6.888 12.302 -3.533 1.00 0.00 C ATOM 0 HA PRO A 76 5.466 9.782 -2.279 1.00 0.00 H new ATOM 0 HB2 PRO A 76 4.043 10.938 -4.474 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.041 11.546 -2.831 1.00 0.00 H new ATOM 0 HG2 PRO A 76 5.546 12.521 -5.191 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.054 13.392 -3.752 1.00 0.00 H new ATOM 0 HD2 PRO A 76 7.650 12.672 -4.219 1.00 0.00 H new ATOM 0 HD3 PRO A 76 7.004 12.854 -2.600 1.00 0.00 H new ATOM 1220 N VAL A 77 5.561 7.822 -3.752 1.00 0.00 N ATOM 1221 CA VAL A 77 5.526 6.637 -4.660 1.00 0.00 C ATOM 1222 C VAL A 77 4.092 6.143 -4.861 1.00 0.00 C ATOM 1223 O VAL A 77 3.237 6.323 -4.018 1.00 0.00 O ATOM 1224 CB VAL A 77 6.362 5.577 -3.961 1.00 0.00 C ATOM 1225 CG1 VAL A 77 6.382 4.321 -4.827 1.00 0.00 C ATOM 1226 CG2 VAL A 77 7.787 6.098 -3.793 1.00 0.00 C ATOM 0 H VAL A 77 5.512 7.607 -2.756 1.00 0.00 H new ATOM 0 HA VAL A 77 5.911 6.877 -5.651 1.00 0.00 H new ATOM 0 HB VAL A 77 5.939 5.347 -2.983 1.00 0.00 H new ATOM 0 HG11 VAL A 77 6.979 3.551 -4.338 1.00 0.00 H new ATOM 0 HG12 VAL A 77 5.364 3.958 -4.965 1.00 0.00 H new ATOM 0 HG13 VAL A 77 6.818 4.555 -5.798 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.394 5.343 -3.292 1.00 0.00 H new ATOM 0 HG22 VAL A 77 8.213 6.315 -4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 77 7.773 7.009 -3.194 1.00 0.00 H new ATOM 1236 N ASN A 78 3.831 5.507 -5.972 1.00 0.00 N ATOM 1237 CA ASN A 78 2.466 4.981 -6.250 1.00 0.00 C ATOM 1238 C ASN A 78 2.514 3.453 -6.241 1.00 0.00 C ATOM 1239 O ASN A 78 3.400 2.865 -6.830 1.00 0.00 O ATOM 1240 CB ASN A 78 2.129 5.494 -7.649 1.00 0.00 C ATOM 1241 CG ASN A 78 2.323 7.010 -7.699 1.00 0.00 C ATOM 1242 OD1 ASN A 78 2.905 7.590 -6.804 1.00 0.00 O ATOM 1243 ND2 ASN A 78 1.857 7.682 -8.715 1.00 0.00 N ATOM 0 H ASN A 78 4.515 5.328 -6.707 1.00 0.00 H new ATOM 0 HA ASN A 78 1.726 5.297 -5.515 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.768 5.011 -8.388 1.00 0.00 H new ATOM 0 HB3 ASN A 78 1.100 5.240 -7.902 1.00 0.00 H new ATOM 0 HD21 ASN A 78 1.981 8.693 -8.758 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.368 7.196 -9.467 1.00 0.00 H new ATOM 1250 N ILE A 79 1.607 2.780 -5.578 1.00 0.00 N ATOM 1251 CA ILE A 79 1.706 1.294 -5.578 1.00 0.00 C ATOM 1252 C ILE A 79 0.511 0.651 -6.280 1.00 0.00 C ATOM 1253 O ILE A 79 -0.628 0.840 -5.904 1.00 0.00 O ATOM 1254 CB ILE A 79 1.755 0.900 -4.109 1.00 0.00 C ATOM 1255 CG1 ILE A 79 2.809 1.760 -3.392 1.00 0.00 C ATOM 1256 CG2 ILE A 79 2.127 -0.580 -4.007 1.00 0.00 C ATOM 1257 CD1 ILE A 79 4.214 1.243 -3.711 1.00 0.00 C ATOM 0 H ILE A 79 0.829 3.180 -5.054 1.00 0.00 H new ATOM 0 HA ILE A 79 2.586 0.951 -6.123 1.00 0.00 H new ATOM 0 HB ILE A 79 0.784 1.062 -3.641 1.00 0.00 H new ATOM 0 HG12 ILE A 79 2.716 2.800 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.639 1.735 -2.316 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.165 -0.874 -2.958 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.379 -1.180 -4.525 1.00 0.00 H new ATOM 0 HG23 ILE A 79 3.103 -0.742 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 79 4.953 1.859 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 79 4.307 0.210 -3.375 1.00 0.00 H new ATOM 0 HD13 ILE A 79 4.384 1.292 -4.787 1.00 0.00 H new ATOM 1269 N GLU A 80 0.778 -0.122 -7.300 1.00 0.00 N ATOM 1270 CA GLU A 80 -0.317 -0.800 -8.044 1.00 0.00 C ATOM 1271 C GLU A 80 -0.446 -2.251 -7.570 1.00 0.00 C ATOM 1272 O GLU A 80 0.383 -3.084 -7.877 1.00 0.00 O ATOM 1273 CB GLU A 80 0.121 -0.749 -9.507 1.00 0.00 C ATOM 1274 CG GLU A 80 -0.797 -1.640 -10.341 1.00 0.00 C ATOM 1275 CD GLU A 80 -1.549 -0.792 -11.368 1.00 0.00 C ATOM 1276 OE1 GLU A 80 -1.161 0.347 -11.566 1.00 0.00 O ATOM 1277 OE2 GLU A 80 -2.499 -1.298 -11.942 1.00 0.00 O ATOM 0 H GLU A 80 1.717 -0.312 -7.650 1.00 0.00 H new ATOM 0 HA GLU A 80 -1.287 -0.327 -7.891 1.00 0.00 H new ATOM 0 HB2 GLU A 80 0.083 0.277 -9.874 1.00 0.00 H new ATOM 0 HB3 GLU A 80 1.154 -1.083 -9.601 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.212 -2.407 -10.848 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -1.506 -2.156 -9.693 1.00 0.00 H new ATOM 1284 N ALA A 81 -1.468 -2.564 -6.817 1.00 0.00 N ATOM 1285 CA ALA A 81 -1.618 -3.968 -6.330 1.00 0.00 C ATOM 1286 C ALA A 81 -2.965 -4.558 -6.751 1.00 0.00 C ATOM 1287 O ALA A 81 -3.917 -3.851 -7.010 1.00 0.00 O ATOM 1288 CB ALA A 81 -1.516 -3.882 -4.802 1.00 0.00 C ATOM 0 H ALA A 81 -2.198 -1.916 -6.521 1.00 0.00 H new ATOM 0 HA ALA A 81 -0.854 -4.621 -6.753 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -1.618 -4.879 -4.374 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -0.548 -3.465 -4.525 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -2.310 -3.240 -4.420 1.00 0.00 H new ATOM 1294 N GLU A 82 -3.039 -5.860 -6.823 1.00 0.00 N ATOM 1295 CA GLU A 82 -4.307 -6.525 -7.228 1.00 0.00 C ATOM 1296 C GLU A 82 -5.036 -7.073 -5.997 1.00 0.00 C ATOM 1297 O GLU A 82 -4.684 -8.114 -5.479 1.00 0.00 O ATOM 1298 CB GLU A 82 -3.862 -7.666 -8.138 1.00 0.00 C ATOM 1299 CG GLU A 82 -5.087 -8.321 -8.780 1.00 0.00 C ATOM 1300 CD GLU A 82 -4.852 -9.825 -8.915 1.00 0.00 C ATOM 1301 OE1 GLU A 82 -4.615 -10.462 -7.901 1.00 0.00 O ATOM 1302 OE2 GLU A 82 -4.912 -10.317 -10.030 1.00 0.00 O ATOM 0 H GLU A 82 -2.268 -6.495 -6.616 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.998 -5.844 -7.724 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.193 -7.288 -8.911 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -3.302 -8.404 -7.564 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.972 -8.134 -8.172 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.275 -7.883 -9.760 1.00 0.00 H new ATOM 1309 N PRO A 83 -6.028 -6.345 -5.570 1.00 0.00 N ATOM 1310 CA PRO A 83 -6.820 -6.754 -4.384 1.00 0.00 C ATOM 1311 C PRO A 83 -7.631 -8.017 -4.691 1.00 0.00 C ATOM 1312 O PRO A 83 -8.003 -8.257 -5.823 1.00 0.00 O ATOM 1313 CB PRO A 83 -7.746 -5.566 -4.129 1.00 0.00 C ATOM 1314 CG PRO A 83 -7.785 -4.804 -5.418 1.00 0.00 C ATOM 1315 CD PRO A 83 -6.499 -5.085 -6.148 1.00 0.00 C ATOM 0 HA PRO A 83 -6.197 -6.991 -3.522 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -8.743 -5.900 -3.841 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.371 -4.944 -3.317 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -8.642 -5.110 -6.019 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -7.893 -3.736 -5.229 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.662 -5.175 -7.222 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -5.774 -4.284 -6.002 1.00 0.00 H new ATOM 1323 N PRO A 84 -7.877 -8.783 -3.663 1.00 0.00 N ATOM 1324 CA PRO A 84 -8.654 -10.038 -3.816 1.00 0.00 C ATOM 1325 C PRO A 84 -10.071 -9.730 -4.309 1.00 0.00 C ATOM 1326 O PRO A 84 -10.400 -9.947 -5.457 1.00 0.00 O ATOM 1327 CB PRO A 84 -8.686 -10.633 -2.407 1.00 0.00 C ATOM 1328 CG PRO A 84 -8.302 -9.515 -1.486 1.00 0.00 C ATOM 1329 CD PRO A 84 -7.459 -8.555 -2.279 1.00 0.00 C ATOM 0 HA PRO A 84 -8.216 -10.720 -4.544 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -9.678 -11.016 -2.166 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -7.992 -11.469 -2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -9.189 -9.016 -1.096 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -7.747 -9.896 -0.629 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -7.633 -7.523 -1.973 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -6.395 -8.752 -2.145 1.00 0.00 H new ATOM 1387 N TYR A 89 -7.972 -3.654 2.501 1.00 0.00 N ATOM 1388 CA TYR A 89 -7.169 -2.601 3.187 1.00 0.00 C ATOM 1389 C TYR A 89 -5.722 -2.636 2.693 1.00 0.00 C ATOM 1390 O TYR A 89 -4.929 -3.449 3.124 1.00 0.00 O ATOM 1391 CB TYR A 89 -7.225 -2.944 4.678 1.00 0.00 C ATOM 1392 CG TYR A 89 -8.621 -3.390 5.051 1.00 0.00 C ATOM 1393 CD1 TYR A 89 -9.707 -2.531 4.850 1.00 0.00 C ATOM 1394 CD2 TYR A 89 -8.826 -4.663 5.598 1.00 0.00 C ATOM 1395 CE1 TYR A 89 -11.000 -2.945 5.195 1.00 0.00 C ATOM 1396 CE2 TYR A 89 -10.119 -5.076 5.943 1.00 0.00 C ATOM 1397 CZ TYR A 89 -11.205 -4.217 5.742 1.00 0.00 C ATOM 1398 OH TYR A 89 -12.478 -4.625 6.082 1.00 0.00 O ATOM 0 HA TYR A 89 -7.558 -1.603 2.987 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -6.509 -3.733 4.906 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -6.941 -2.075 5.271 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -9.548 -1.549 4.429 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.988 -5.326 5.754 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -11.839 -2.283 5.039 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -10.278 -6.058 6.364 1.00 0.00 H new ATOM 0 HH TYR A 89 -12.444 -5.534 6.447 1.00 0.00 H new ATOM 1408 N ILE A 90 -5.367 -1.756 1.799 1.00 0.00 N ATOM 1409 CA ILE A 90 -3.967 -1.739 1.292 1.00 0.00 C ATOM 1410 C ILE A 90 -3.046 -1.154 2.364 1.00 0.00 C ATOM 1411 O ILE A 90 -3.115 0.017 2.681 1.00 0.00 O ATOM 1412 CB ILE A 90 -4.003 -0.843 0.051 1.00 0.00 C ATOM 1413 CG1 ILE A 90 -4.549 -1.642 -1.135 1.00 0.00 C ATOM 1414 CG2 ILE A 90 -2.589 -0.356 -0.276 1.00 0.00 C ATOM 1415 CD1 ILE A 90 -6.054 -1.403 -1.268 1.00 0.00 C ATOM 0 H ILE A 90 -5.984 -1.050 1.398 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.591 -2.734 1.052 1.00 0.00 H new ATOM 0 HB ILE A 90 -4.646 0.016 0.245 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -4.041 -1.343 -2.052 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.351 -2.704 -0.992 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -2.619 0.281 -1.160 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.195 0.211 0.567 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.944 -1.214 -0.469 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -6.440 -1.973 -2.113 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -6.555 -1.724 -0.355 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -6.241 -0.342 -1.431 1.00 0.00 H new ATOM 1427 N ILE A 91 -2.192 -1.960 2.933 1.00 0.00 N ATOM 1428 CA ILE A 91 -1.283 -1.441 3.992 1.00 0.00 C ATOM 1429 C ILE A 91 0.038 -0.978 3.381 1.00 0.00 C ATOM 1430 O ILE A 91 0.515 -1.530 2.408 1.00 0.00 O ATOM 1431 CB ILE A 91 -1.054 -2.618 4.937 1.00 0.00 C ATOM 1432 CG1 ILE A 91 -2.383 -3.020 5.581 1.00 0.00 C ATOM 1433 CG2 ILE A 91 -0.063 -2.207 6.027 1.00 0.00 C ATOM 1434 CD1 ILE A 91 -2.334 -4.496 5.977 1.00 0.00 C ATOM 0 H ILE A 91 -2.085 -2.950 2.712 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.709 -0.582 4.510 1.00 0.00 H new ATOM 0 HB ILE A 91 -0.651 -3.463 4.378 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -2.575 -2.403 6.459 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -3.203 -2.847 4.885 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.102 -3.046 6.703 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.883 -1.918 5.569 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -0.467 -1.364 6.587 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -3.281 -4.781 6.436 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -2.162 -5.105 5.090 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -1.524 -4.655 6.689 1.00 0.00 H new ATOM 1446 N ILE A 92 0.627 0.035 3.948 1.00 0.00 N ATOM 1447 CA ILE A 92 1.917 0.552 3.413 1.00 0.00 C ATOM 1448 C ILE A 92 2.889 0.797 4.569 1.00 0.00 C ATOM 1449 O ILE A 92 2.518 1.324 5.597 1.00 0.00 O ATOM 1450 CB ILE A 92 1.537 1.866 2.714 1.00 0.00 C ATOM 1451 CG1 ILE A 92 1.332 1.602 1.223 1.00 0.00 C ATOM 1452 CG2 ILE A 92 2.638 2.916 2.894 1.00 0.00 C ATOM 1453 CD1 ILE A 92 0.316 2.602 0.672 1.00 0.00 C ATOM 0 H ILE A 92 0.269 0.531 4.764 1.00 0.00 H new ATOM 0 HA ILE A 92 2.412 -0.139 2.731 1.00 0.00 H new ATOM 0 HB ILE A 92 0.617 2.245 3.160 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.279 1.696 0.691 1.00 0.00 H new ATOM 0 HG13 ILE A 92 0.979 0.583 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.347 3.838 2.391 1.00 0.00 H new ATOM 0 HG22 ILE A 92 2.783 3.113 3.956 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.568 2.545 2.463 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.165 2.419 -0.392 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.631 2.485 1.198 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.689 3.616 0.816 1.00 0.00 H new ATOM 1465 N GLY A 93 4.128 0.425 4.418 1.00 0.00 N ATOM 1466 CA GLY A 93 5.091 0.654 5.521 1.00 0.00 C ATOM 1467 C GLY A 93 5.020 -0.516 6.496 1.00 0.00 C ATOM 1468 O GLY A 93 4.514 -1.575 6.180 1.00 0.00 O ATOM 0 H GLY A 93 4.510 -0.023 3.585 1.00 0.00 H new ATOM 0 HA2 GLY A 93 6.101 0.752 5.124 1.00 0.00 H new ATOM 0 HA3 GLY A 93 4.859 1.587 6.035 1.00 0.00 H new ATOM 1472 N VAL A 94 5.520 -0.339 7.676 1.00 0.00 N ATOM 1473 CA VAL A 94 5.484 -1.451 8.663 1.00 0.00 C ATOM 1474 C VAL A 94 4.704 -1.029 9.902 1.00 0.00 C ATOM 1475 O VAL A 94 4.706 0.127 10.271 1.00 0.00 O ATOM 1476 CB VAL A 94 6.949 -1.748 9.011 1.00 0.00 C ATOM 1477 CG1 VAL A 94 7.430 -2.908 8.138 1.00 0.00 C ATOM 1478 CG2 VAL A 94 7.828 -0.518 8.740 1.00 0.00 C ATOM 0 H VAL A 94 5.953 0.524 8.005 1.00 0.00 H new ATOM 0 HA VAL A 94 4.987 -2.335 8.263 1.00 0.00 H new ATOM 0 HB VAL A 94 7.023 -2.004 10.068 1.00 0.00 H new ATOM 0 HG11 VAL A 94 8.471 -3.133 8.372 1.00 0.00 H new ATOM 0 HG12 VAL A 94 6.816 -3.788 8.332 1.00 0.00 H new ATOM 0 HG13 VAL A 94 7.346 -2.631 7.087 1.00 0.00 H new ATOM 0 HG21 VAL A 94 8.863 -0.748 8.993 1.00 0.00 H new ATOM 0 HG22 VAL A 94 7.763 -0.249 7.686 1.00 0.00 H new ATOM 0 HG23 VAL A 94 7.483 0.317 9.349 1.00 0.00 H new ATOM 1488 N GLU A 95 4.037 -1.974 10.529 1.00 0.00 N ATOM 1489 CA GLU A 95 3.225 -1.689 11.760 1.00 0.00 C ATOM 1490 C GLU A 95 3.601 -0.347 12.392 1.00 0.00 C ATOM 1491 O GLU A 95 2.763 0.518 12.534 1.00 0.00 O ATOM 1492 CB GLU A 95 3.551 -2.835 12.717 1.00 0.00 C ATOM 1493 CG GLU A 95 2.361 -3.795 12.788 1.00 0.00 C ATOM 1494 CD GLU A 95 2.835 -5.161 13.288 1.00 0.00 C ATOM 1495 OE1 GLU A 95 3.982 -5.257 13.690 1.00 0.00 O ATOM 1496 OE2 GLU A 95 2.042 -6.088 13.260 1.00 0.00 O ATOM 0 H GLU A 95 4.021 -2.950 10.233 1.00 0.00 H new ATOM 0 HA GLU A 95 2.162 -1.622 11.527 1.00 0.00 H new ATOM 0 HB2 GLU A 95 4.440 -3.366 12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 95 3.775 -2.442 13.709 1.00 0.00 H new ATOM 0 HG2 GLU A 95 1.598 -3.396 13.457 1.00 0.00 H new ATOM 0 HG3 GLU A 95 1.902 -3.895 11.804 1.00 0.00 H new ATOM 1503 N PRO A 96 4.856 -0.220 12.744 1.00 0.00 N ATOM 1504 CA PRO A 96 5.367 1.035 13.360 1.00 0.00 C ATOM 1505 C PRO A 96 4.988 2.279 12.534 1.00 0.00 C ATOM 1506 O PRO A 96 5.828 2.893 11.907 1.00 0.00 O ATOM 1507 CB PRO A 96 6.891 0.845 13.370 1.00 0.00 C ATOM 1508 CG PRO A 96 7.158 -0.383 12.556 1.00 0.00 C ATOM 1509 CD PRO A 96 5.918 -1.221 12.623 1.00 0.00 C ATOM 0 HA PRO A 96 4.944 1.202 14.351 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.395 1.713 12.945 1.00 0.00 H new ATOM 0 HB3 PRO A 96 7.263 0.727 14.388 1.00 0.00 H new ATOM 0 HG2 PRO A 96 7.392 -0.120 11.524 1.00 0.00 H new ATOM 0 HG3 PRO A 96 8.016 -0.929 12.949 1.00 0.00 H new ATOM 0 HD2 PRO A 96 5.796 -1.834 11.730 1.00 0.00 H new ATOM 0 HD3 PRO A 96 5.934 -1.899 13.476 1.00 0.00 H new ATOM 1517 N GLY A 97 3.740 2.669 12.550 1.00 0.00 N ATOM 1518 CA GLY A 97 3.322 3.887 11.792 1.00 0.00 C ATOM 1519 C GLY A 97 2.917 3.524 10.358 1.00 0.00 C ATOM 1520 O GLY A 97 2.515 4.373 9.590 1.00 0.00 O ATOM 0 H GLY A 97 2.991 2.196 13.056 1.00 0.00 H new ATOM 0 HA2 GLY A 97 2.486 4.368 12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 97 4.140 4.607 11.772 1.00 0.00 H new ATOM 1524 N GLN A 98 3.017 2.280 9.989 1.00 0.00 N ATOM 1525 CA GLN A 98 2.633 1.884 8.601 1.00 0.00 C ATOM 1526 C GLN A 98 1.289 2.528 8.222 1.00 0.00 C ATOM 1527 O GLN A 98 0.517 2.923 9.073 1.00 0.00 O ATOM 1528 CB GLN A 98 2.554 0.347 8.656 1.00 0.00 C ATOM 1529 CG GLN A 98 1.194 -0.167 8.164 1.00 0.00 C ATOM 1530 CD GLN A 98 1.041 -1.641 8.546 1.00 0.00 C ATOM 1531 OE1 GLN A 98 2.095 -2.408 8.572 1.00 0.00 O flip ATOM 1532 NE2 GLN A 98 -0.051 -2.099 8.822 1.00 0.00 N flip ATOM 0 H GLN A 98 3.347 1.520 10.584 1.00 0.00 H new ATOM 0 HA GLN A 98 3.340 2.216 7.841 1.00 0.00 H new ATOM 0 HB2 GLN A 98 3.348 -0.081 8.044 1.00 0.00 H new ATOM 0 HB3 GLN A 98 2.723 0.010 9.679 1.00 0.00 H new ATOM 0 HG2 GLN A 98 0.389 0.420 8.606 1.00 0.00 H new ATOM 0 HG3 GLN A 98 1.118 -0.050 7.083 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.876 -1.499 8.802 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -0.142 -3.083 9.074 1.00 0.00 H new ATOM 1541 N LEU A 99 1.008 2.636 6.949 1.00 0.00 N ATOM 1542 CA LEU A 99 -0.280 3.254 6.519 1.00 0.00 C ATOM 1543 C LEU A 99 -1.332 2.174 6.248 1.00 0.00 C ATOM 1544 O LEU A 99 -1.048 0.993 6.265 1.00 0.00 O ATOM 1545 CB LEU A 99 0.056 4.005 5.231 1.00 0.00 C ATOM 1546 CG LEU A 99 0.386 5.460 5.559 1.00 0.00 C ATOM 1547 CD1 LEU A 99 0.782 6.192 4.277 1.00 0.00 C ATOM 1548 CD2 LEU A 99 -0.844 6.135 6.171 1.00 0.00 C ATOM 0 H LEU A 99 1.614 2.323 6.191 1.00 0.00 H new ATOM 0 HA LEU A 99 -0.695 3.911 7.284 1.00 0.00 H new ATOM 0 HB2 LEU A 99 0.903 3.533 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -0.786 3.959 4.541 1.00 0.00 H new ATOM 0 HG LEU A 99 1.212 5.495 6.269 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.018 7.231 4.509 1.00 0.00 H new ATOM 0 HD12 LEU A 99 1.656 5.711 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -0.045 6.158 3.568 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.610 7.173 6.406 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -1.669 6.101 5.460 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -1.130 5.612 7.084 1.00 0.00 H new ATOM 1560 N LYS A 100 -2.549 2.578 5.994 1.00 0.00 N ATOM 1561 CA LYS A 100 -3.633 1.590 5.718 1.00 0.00 C ATOM 1562 C LYS A 100 -4.728 2.238 4.867 1.00 0.00 C ATOM 1563 O LYS A 100 -5.197 3.319 5.164 1.00 0.00 O ATOM 1564 CB LYS A 100 -4.178 1.205 7.089 1.00 0.00 C ATOM 1565 CG LYS A 100 -4.061 -0.309 7.279 1.00 0.00 C ATOM 1566 CD LYS A 100 -3.800 -0.621 8.754 1.00 0.00 C ATOM 1567 CE LYS A 100 -4.461 -1.953 9.118 1.00 0.00 C ATOM 1568 NZ LYS A 100 -3.343 -2.824 9.575 1.00 0.00 N ATOM 0 H LYS A 100 -2.840 3.555 5.966 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.272 0.722 5.167 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -3.624 1.724 7.871 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -5.220 1.514 7.178 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -4.977 -0.799 6.949 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.251 -0.702 6.665 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -2.728 -0.672 8.942 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -4.196 0.177 9.381 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -5.206 -1.823 9.903 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -4.974 -2.387 8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -3.717 -3.757 9.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -2.653 -2.935 8.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -2.878 -2.389 10.397 1.00 0.00 H new ATOM 1582 N LEU A 101 -5.136 1.591 3.810 1.00 0.00 N ATOM 1583 CA LEU A 101 -6.198 2.179 2.943 1.00 0.00 C ATOM 1584 C LEU A 101 -7.249 1.122 2.594 1.00 0.00 C ATOM 1585 O LEU A 101 -6.945 0.097 2.017 1.00 0.00 O ATOM 1586 CB LEU A 101 -5.467 2.644 1.682 1.00 0.00 C ATOM 1587 CG LEU A 101 -4.595 3.856 2.013 1.00 0.00 C ATOM 1588 CD1 LEU A 101 -3.209 3.384 2.455 1.00 0.00 C ATOM 1589 CD2 LEU A 101 -4.461 4.739 0.771 1.00 0.00 C ATOM 0 H LEU A 101 -4.782 0.683 3.509 1.00 0.00 H new ATOM 0 HA LEU A 101 -6.725 2.996 3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.850 1.836 1.288 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -6.188 2.903 0.906 1.00 0.00 H new ATOM 0 HG LEU A 101 -5.057 4.427 2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -2.588 4.248 2.691 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.304 2.754 3.339 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.745 2.813 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -3.840 5.604 1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -3.999 4.167 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -5.449 5.076 0.456 1.00 0.00 H new ATOM 1601 N ASN A 102 -8.485 1.366 2.937 1.00 0.00 N ATOM 1602 CA ASN A 102 -9.557 0.376 2.623 1.00 0.00 C ATOM 1603 C ASN A 102 -10.156 0.667 1.244 1.00 0.00 C ATOM 1604 O ASN A 102 -10.511 1.787 0.935 1.00 0.00 O ATOM 1605 CB ASN A 102 -10.607 0.574 3.716 1.00 0.00 C ATOM 1606 CG ASN A 102 -11.895 -0.154 3.325 1.00 0.00 C ATOM 1607 OD1 ASN A 102 -11.842 -1.415 2.992 1.00 0.00 O flip ATOM 1608 ND2 ASN A 102 -12.960 0.431 3.323 1.00 0.00 N flip ATOM 0 H ASN A 102 -8.799 2.207 3.421 1.00 0.00 H new ATOM 0 HA ASN A 102 -9.182 -0.647 2.597 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -10.235 0.191 4.666 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -10.806 1.637 3.856 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -13.001 1.416 3.583 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -13.813 -0.063 3.061 1.00 0.00 H new ATOM 1615 N TRP A 103 -10.270 -0.333 0.412 1.00 0.00 N ATOM 1616 CA TRP A 103 -10.846 -0.109 -0.946 1.00 0.00 C ATOM 1617 C TRP A 103 -12.183 -0.843 -1.081 1.00 0.00 C ATOM 1618 O TRP A 103 -12.315 -1.987 -0.693 1.00 0.00 O ATOM 1619 CB TRP A 103 -9.815 -0.687 -1.915 1.00 0.00 C ATOM 1620 CG TRP A 103 -10.061 -0.146 -3.286 1.00 0.00 C ATOM 1621 CD1 TRP A 103 -10.164 -0.894 -4.409 1.00 0.00 C ATOM 1622 CD2 TRP A 103 -10.235 1.240 -3.699 1.00 0.00 C ATOM 1623 NE1 TRP A 103 -10.391 -0.055 -5.485 1.00 0.00 N ATOM 1624 CE2 TRP A 103 -10.444 1.269 -5.099 1.00 0.00 C ATOM 1625 CE3 TRP A 103 -10.234 2.462 -3.003 1.00 0.00 C ATOM 1626 CZ2 TRP A 103 -10.643 2.469 -5.783 1.00 0.00 C ATOM 1627 CZ3 TRP A 103 -10.435 3.672 -3.689 1.00 0.00 C ATOM 1628 CH2 TRP A 103 -10.639 3.675 -5.076 1.00 0.00 C ATOM 0 H TRP A 103 -9.990 -1.293 0.613 1.00 0.00 H new ATOM 0 HA TRP A 103 -11.042 0.945 -1.143 1.00 0.00 H new ATOM 0 HB2 TRP A 103 -8.808 -0.430 -1.587 1.00 0.00 H new ATOM 0 HB3 TRP A 103 -9.880 -1.775 -1.925 1.00 0.00 H new ATOM 0 HD1 TRP A 103 -10.082 -1.970 -4.457 1.00 0.00 H new ATOM 0 HE1 TRP A 103 -10.505 -0.376 -6.447 1.00 0.00 H new ATOM 0 HE3 TRP A 103 -10.078 2.471 -1.934 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 -10.799 2.466 -6.852 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -10.432 4.605 -3.145 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -10.793 4.608 -5.598 1.00 0.00 H new