USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 605 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 54 SER OG : rot -160:sc= 0.0893 USER MOD Set 1.2: A 57 GLN : amide:sc= -0.441 K(o=-0.35,f=0.19) USER MOD Set 2.1: A 19 ASN : amide:sc= 0.525 X(o=-0.18,f=0.12) USER MOD Set 2.2: A 31 GLN : amide:sc= -0.709 X(o=-0.18,f=0.12) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 176:sc= 1.26 (180deg=1.17) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 1.26 (180deg=1.08) USER MOD Single : A 37 HIS : no HD1:sc= -0.111 X(o=-0.11,f=-0.11) USER MOD Single : A 38 THR OG1 : rot -160:sc= 0.00797 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 MET CE :methyl 179:sc= 0 (180deg=-0.00179) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 130:sc= 0 USER MOD Single : A 48 CYS SG : rot 75:sc= 0.386 USER MOD Single : A 51 GLN : amide:sc= 0.314 X(o=0.31,f=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN : amide:sc= 0.303 X(o=0.3,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.215 USER MOD Single : A 75 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 78 MET CE :methyl 154:sc= -0.113 (180deg=-1.58) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.222 X(o=0.22,f=0) USER MOD Single : A 89 GLN : amide:sc= 0.132 X(o=0.13,f=-0.0036) USER MOD ----------------------------------------------------------------- ATOM 244 N HIS A 17 65.076 22.562 46.935 1.00 1.00 N ATOM 245 CA HIS A 17 65.606 23.400 45.902 1.00 1.00 C ATOM 246 C HIS A 17 67.041 23.041 45.673 1.00 1.00 C ATOM 247 O HIS A 17 67.824 22.862 46.605 1.00 1.00 O ATOM 248 CB HIS A 17 65.469 24.896 46.235 1.00 1.00 C ATOM 249 CG HIS A 17 65.987 25.329 47.576 1.00 1.00 C ATOM 250 ND1 HIS A 17 65.226 25.435 48.710 1.00 1.00 N ATOM 251 CD2 HIS A 17 67.227 25.782 47.897 1.00 1.00 C ATOM 252 CE1 HIS A 17 65.962 25.949 49.679 1.00 1.00 C ATOM 253 NE2 HIS A 17 67.177 26.167 49.211 1.00 1.00 N ATOM 0 HA HIS A 17 65.028 23.230 44.994 1.00 1.00 H new ATOM 0 HB2 HIS A 17 65.990 25.467 45.466 1.00 1.00 H new ATOM 0 HB3 HIS A 17 64.415 25.165 46.172 1.00 1.00 H new ATOM 0 HD2 HIS A 17 68.085 25.829 47.243 1.00 1.00 H new ATOM 0 HE1 HIS A 17 65.626 26.156 50.684 1.00 1.00 H new ATOM 0 HE2 HIS A 17 67.954 26.559 49.743 1.00 1.00 H new ATOM 262 N ILE A 18 67.402 22.905 44.387 1.00 1.00 N ATOM 263 CA ILE A 18 68.624 22.418 43.821 1.00 1.00 C ATOM 264 C ILE A 18 68.947 23.329 42.678 1.00 1.00 C ATOM 265 O ILE A 18 68.102 24.085 42.203 1.00 1.00 O ATOM 266 CB ILE A 18 68.517 20.992 43.339 1.00 1.00 C ATOM 267 CG1 ILE A 18 67.304 20.737 42.424 1.00 1.00 C ATOM 268 CG2 ILE A 18 68.469 20.067 44.569 1.00 1.00 C ATOM 269 CD1 ILE A 18 67.396 19.406 41.678 1.00 1.00 C ATOM 0 H ILE A 18 66.750 23.172 43.649 1.00 1.00 H new ATOM 0 HA ILE A 18 69.406 22.414 44.580 1.00 1.00 H new ATOM 0 HB ILE A 18 69.393 20.783 42.725 1.00 1.00 H new ATOM 0 HG12 ILE A 18 66.393 20.751 43.023 1.00 1.00 H new ATOM 0 HG13 ILE A 18 67.222 21.549 41.701 1.00 1.00 H new ATOM 0 HG21 ILE A 18 68.391 19.030 44.242 1.00 1.00 H new ATOM 0 HG22 ILE A 18 69.378 20.195 45.156 1.00 1.00 H new ATOM 0 HG23 ILE A 18 67.603 20.320 45.181 1.00 1.00 H new ATOM 0 HD11 ILE A 18 66.515 19.280 41.049 1.00 1.00 H new ATOM 0 HD12 ILE A 18 68.290 19.399 41.055 1.00 1.00 H new ATOM 0 HD13 ILE A 18 67.448 18.589 42.397 1.00 1.00 H new ATOM 281 N ASN A 19 70.205 23.368 42.207 1.00 1.00 N ATOM 282 CA ASN A 19 70.593 24.117 41.047 1.00 1.00 C ATOM 283 C ASN A 19 71.118 23.206 39.979 1.00 1.00 C ATOM 284 O ASN A 19 71.703 22.151 40.221 1.00 1.00 O ATOM 285 CB ASN A 19 71.550 25.293 41.322 1.00 1.00 C ATOM 286 CG ASN A 19 70.932 26.423 42.137 1.00 1.00 C ATOM 287 OD1 ASN A 19 70.659 27.492 41.591 1.00 1.00 O ATOM 288 ND2 ASN A 19 70.750 26.258 43.472 1.00 1.00 N ATOM 0 H ASN A 19 70.977 22.865 42.644 1.00 1.00 H new ATOM 0 HA ASN A 19 69.681 24.595 40.690 1.00 1.00 H new ATOM 0 HB2 ASN A 19 72.427 24.918 41.849 1.00 1.00 H new ATOM 0 HB3 ASN A 19 71.898 25.694 40.370 1.00 1.00 H new ATOM 0 HD21 ASN A 19 70.383 27.025 44.035 1.00 1.00 H new ATOM 0 HD22 ASN A 19 70.980 25.367 43.912 1.00 1.00 H new ATOM 295 N LEU A 20 70.860 23.523 38.700 1.00 1.00 N ATOM 296 CA LEU A 20 71.460 22.772 37.634 1.00 1.00 C ATOM 297 C LEU A 20 71.993 23.736 36.621 1.00 1.00 C ATOM 298 O LEU A 20 71.592 24.896 36.610 1.00 1.00 O ATOM 299 CB LEU A 20 70.497 21.733 37.028 1.00 1.00 C ATOM 300 CG LEU A 20 69.601 22.188 35.862 1.00 1.00 C ATOM 301 CD1 LEU A 20 68.915 20.971 35.223 1.00 1.00 C ATOM 302 CD2 LEU A 20 68.527 23.220 36.239 1.00 1.00 C ATOM 0 H LEU A 20 70.249 24.283 38.403 1.00 1.00 H new ATOM 0 HA LEU A 20 72.286 22.179 38.028 1.00 1.00 H new ATOM 0 HB2 LEU A 20 71.090 20.885 36.685 1.00 1.00 H new ATOM 0 HB3 LEU A 20 69.851 21.368 37.826 1.00 1.00 H new ATOM 0 HG LEU A 20 70.273 22.684 35.162 1.00 1.00 H new ATOM 0 HD11 LEU A 20 68.283 21.301 34.399 1.00 1.00 H new ATOM 0 HD12 LEU A 20 69.672 20.283 34.847 1.00 1.00 H new ATOM 0 HD13 LEU A 20 68.303 20.465 35.970 1.00 1.00 H new ATOM 0 HD21 LEU A 20 67.946 23.480 35.354 1.00 1.00 H new ATOM 0 HD22 LEU A 20 67.866 22.798 36.996 1.00 1.00 H new ATOM 0 HD23 LEU A 20 69.006 24.116 36.635 1.00 1.00 H new ATOM 314 N LYS A 21 72.922 23.338 35.735 1.00 1.00 N ATOM 315 CA LYS A 21 73.485 24.143 34.693 1.00 1.00 C ATOM 316 C LYS A 21 73.492 23.454 33.363 1.00 1.00 C ATOM 317 O LYS A 21 73.558 22.229 33.265 1.00 1.00 O ATOM 318 CB LYS A 21 74.900 24.600 35.096 1.00 1.00 C ATOM 319 CG LYS A 21 76.002 23.548 34.933 1.00 1.00 C ATOM 320 CD LYS A 21 77.354 23.962 35.524 1.00 1.00 C ATOM 321 CE LYS A 21 77.442 23.766 37.039 1.00 1.00 C ATOM 322 NZ LYS A 21 78.801 24.103 37.513 1.00 1.00 N ATOM 0 H LYS A 21 73.305 22.393 35.746 1.00 1.00 H new ATOM 0 HA LYS A 21 72.846 25.018 34.571 1.00 1.00 H new ATOM 0 HB2 LYS A 21 75.164 25.474 34.501 1.00 1.00 H new ATOM 0 HB3 LYS A 21 74.877 24.919 36.138 1.00 1.00 H new ATOM 0 HG2 LYS A 21 75.678 22.622 35.408 1.00 1.00 H new ATOM 0 HG3 LYS A 21 76.131 23.334 33.872 1.00 1.00 H new ATOM 0 HD2 LYS A 21 78.144 23.384 35.044 1.00 1.00 H new ATOM 0 HD3 LYS A 21 77.539 25.010 35.290 1.00 1.00 H new ATOM 0 HE2 LYS A 21 76.707 24.396 37.539 1.00 1.00 H new ATOM 0 HE3 LYS A 21 77.204 22.734 37.295 1.00 1.00 H new ATOM 0 HZ1 LYS A 21 78.853 23.967 38.543 1.00 1.00 H new ATOM 0 HZ2 LYS A 21 79.495 23.484 37.047 1.00 1.00 H new ATOM 0 HZ3 LYS A 21 79.013 25.095 37.283 1.00 1.00 H new ATOM 336 N VAL A 22 73.407 24.234 32.270 1.00 1.00 N ATOM 337 CA VAL A 22 73.462 23.756 30.915 1.00 1.00 C ATOM 338 C VAL A 22 74.646 24.395 30.263 1.00 1.00 C ATOM 339 O VAL A 22 74.734 25.619 30.174 1.00 1.00 O ATOM 340 CB VAL A 22 72.229 24.072 30.107 1.00 1.00 C ATOM 341 CG1 VAL A 22 72.429 23.814 28.602 1.00 1.00 C ATOM 342 CG2 VAL A 22 71.060 23.190 30.577 1.00 1.00 C ATOM 0 H VAL A 22 73.295 25.246 32.330 1.00 1.00 H new ATOM 0 HA VAL A 22 73.534 22.669 30.948 1.00 1.00 H new ATOM 0 HB VAL A 22 72.020 25.131 30.258 1.00 1.00 H new ATOM 0 HG11 VAL A 22 71.512 24.057 28.066 1.00 1.00 H new ATOM 0 HG12 VAL A 22 73.242 24.438 28.231 1.00 1.00 H new ATOM 0 HG13 VAL A 22 72.675 22.764 28.442 1.00 1.00 H new ATOM 0 HG21 VAL A 22 70.171 23.422 29.991 1.00 1.00 H new ATOM 0 HG22 VAL A 22 71.320 22.140 30.443 1.00 1.00 H new ATOM 0 HG23 VAL A 22 70.860 23.383 31.631 1.00 1.00 H new ATOM 352 N ALA A 23 75.613 23.582 29.801 1.00 1.00 N ATOM 353 CA ALA A 23 76.888 24.048 29.338 1.00 1.00 C ATOM 354 C ALA A 23 77.067 23.819 27.870 1.00 1.00 C ATOM 355 O ALA A 23 76.857 22.722 27.355 1.00 1.00 O ATOM 356 CB ALA A 23 78.000 23.315 30.109 1.00 1.00 C ATOM 0 H ALA A 23 75.507 22.569 29.747 1.00 1.00 H new ATOM 0 HA ALA A 23 76.941 25.122 29.515 1.00 1.00 H new ATOM 0 HB1 ALA A 23 78.973 23.663 29.763 1.00 1.00 H new ATOM 0 HB2 ALA A 23 77.899 23.519 31.175 1.00 1.00 H new ATOM 0 HB3 ALA A 23 77.916 22.242 29.936 1.00 1.00 H new ATOM 362 N GLY A 24 77.480 24.869 27.136 1.00 1.00 N ATOM 363 CA GLY A 24 77.602 24.841 25.708 1.00 1.00 C ATOM 364 C GLY A 24 78.908 24.341 25.189 1.00 1.00 C ATOM 365 O GLY A 24 79.852 24.050 25.922 1.00 1.00 O ATOM 0 H GLY A 24 77.737 25.766 27.548 1.00 1.00 H new ATOM 0 HA2 GLY A 24 76.806 24.216 25.304 1.00 1.00 H new ATOM 0 HA3 GLY A 24 77.440 25.849 25.326 1.00 1.00 H new ATOM 416 N VAL A 29 78.344 28.460 30.146 1.00 1.00 N ATOM 417 CA VAL A 29 77.329 27.698 30.814 1.00 1.00 C ATOM 418 C VAL A 29 76.419 28.609 31.580 1.00 1.00 C ATOM 419 O VAL A 29 76.874 29.586 32.171 1.00 1.00 O ATOM 420 CB VAL A 29 78.014 26.700 31.711 1.00 1.00 C ATOM 421 CG1 VAL A 29 79.043 27.334 32.664 1.00 1.00 C ATOM 422 CG2 VAL A 29 77.034 25.870 32.551 1.00 1.00 C ATOM 0 HA VAL A 29 76.707 27.164 30.096 1.00 1.00 H new ATOM 0 HB VAL A 29 78.534 26.046 31.011 1.00 1.00 H new ATOM 0 HG11 VAL A 29 79.496 26.557 33.279 1.00 1.00 H new ATOM 0 HG12 VAL A 29 79.817 27.834 32.083 1.00 1.00 H new ATOM 0 HG13 VAL A 29 78.545 28.061 33.306 1.00 1.00 H new ATOM 0 HG21 VAL A 29 77.591 25.171 33.175 1.00 1.00 H new ATOM 0 HG22 VAL A 29 76.446 26.533 33.185 1.00 1.00 H new ATOM 0 HG23 VAL A 29 76.368 25.315 31.890 1.00 1.00 H new ATOM 432 N VAL A 30 75.099 28.343 31.599 1.00 1.00 N ATOM 433 CA VAL A 30 74.161 29.081 32.401 1.00 1.00 C ATOM 434 C VAL A 30 73.502 28.145 33.364 1.00 1.00 C ATOM 435 O VAL A 30 73.202 26.999 33.034 1.00 1.00 O ATOM 436 CB VAL A 30 73.181 29.927 31.625 1.00 1.00 C ATOM 437 CG1 VAL A 30 71.902 29.193 31.188 1.00 1.00 C ATOM 438 CG2 VAL A 30 72.687 31.090 32.501 1.00 1.00 C ATOM 0 H VAL A 30 74.671 27.600 31.047 1.00 1.00 H new ATOM 0 HA VAL A 30 74.727 29.830 32.955 1.00 1.00 H new ATOM 0 HB VAL A 30 73.738 30.238 30.741 1.00 1.00 H new ATOM 0 HG11 VAL A 30 71.259 29.879 30.638 1.00 1.00 H new ATOM 0 HG12 VAL A 30 72.166 28.351 30.548 1.00 1.00 H new ATOM 0 HG13 VAL A 30 71.373 28.827 32.068 1.00 1.00 H new ATOM 0 HG21 VAL A 30 71.980 31.697 31.935 1.00 1.00 H new ATOM 0 HG22 VAL A 30 72.195 30.693 33.389 1.00 1.00 H new ATOM 0 HG23 VAL A 30 73.535 31.706 32.801 1.00 1.00 H new ATOM 448 N GLN A 31 73.311 28.582 34.623 1.00 1.00 N ATOM 449 CA GLN A 31 72.696 27.818 35.668 1.00 1.00 C ATOM 450 C GLN A 31 71.370 28.346 36.123 1.00 1.00 C ATOM 451 O GLN A 31 70.892 29.451 35.870 1.00 1.00 O ATOM 452 CB GLN A 31 73.683 27.555 36.821 1.00 1.00 C ATOM 453 CG GLN A 31 74.079 28.709 37.755 1.00 1.00 C ATOM 454 CD GLN A 31 73.072 29.111 38.826 1.00 1.00 C ATOM 455 OE1 GLN A 31 73.010 30.264 39.251 1.00 1.00 O ATOM 456 NE2 GLN A 31 72.292 28.121 39.327 1.00 1.00 N ATOM 0 H GLN A 31 73.599 29.512 34.927 1.00 1.00 H new ATOM 0 HA GLN A 31 72.446 26.851 35.231 1.00 1.00 H new ATOM 0 HB2 GLN A 31 73.259 26.764 37.440 1.00 1.00 H new ATOM 0 HB3 GLN A 31 74.600 27.160 36.383 1.00 1.00 H new ATOM 0 HG2 GLN A 31 75.011 28.438 38.251 1.00 1.00 H new ATOM 0 HG3 GLN A 31 74.288 29.585 37.141 1.00 1.00 H new ATOM 0 HE21 GLN A 31 72.366 27.175 38.954 1.00 1.00 H new ATOM 0 HE22 GLN A 31 71.631 28.323 40.077 1.00 1.00 H new ATOM 465 N PHE A 32 70.616 27.449 36.775 1.00 1.00 N ATOM 466 CA PHE A 32 69.224 27.660 37.014 1.00 1.00 C ATOM 467 C PHE A 32 68.890 27.062 38.348 1.00 1.00 C ATOM 468 O PHE A 32 69.375 25.985 38.688 1.00 1.00 O ATOM 469 CB PHE A 32 68.482 26.912 35.891 1.00 1.00 C ATOM 470 CG PHE A 32 68.984 26.991 34.485 1.00 1.00 C ATOM 471 CD1 PHE A 32 69.843 26.015 34.008 1.00 1.00 C ATOM 472 CD2 PHE A 32 68.493 27.919 33.585 1.00 1.00 C ATOM 473 CE1 PHE A 32 70.201 25.969 32.675 1.00 1.00 C ATOM 474 CE2 PHE A 32 68.826 27.872 32.244 1.00 1.00 C ATOM 475 CZ PHE A 32 69.675 26.884 31.783 1.00 1.00 C ATOM 0 H PHE A 32 70.974 26.567 37.141 1.00 1.00 H new ATOM 0 HA PHE A 32 68.948 28.714 37.021 1.00 1.00 H new ATOM 0 HB2 PHE A 32 68.453 25.858 36.167 1.00 1.00 H new ATOM 0 HB3 PHE A 32 67.452 27.269 35.889 1.00 1.00 H new ATOM 0 HD1 PHE A 32 70.240 25.277 34.690 1.00 1.00 H new ATOM 0 HD2 PHE A 32 67.834 28.699 33.938 1.00 1.00 H new ATOM 0 HE1 PHE A 32 70.894 25.216 32.329 1.00 1.00 H new ATOM 0 HE2 PHE A 32 68.424 28.604 31.560 1.00 1.00 H new ATOM 0 HZ PHE A 32 69.925 26.827 30.734 1.00 1.00 H new ATOM 485 N LYS A 33 68.033 27.720 39.148 1.00 1.00 N ATOM 486 CA LYS A 33 67.596 27.334 40.459 1.00 1.00 C ATOM 487 C LYS A 33 66.201 26.794 40.501 1.00 1.00 C ATOM 488 O LYS A 33 65.228 27.501 40.237 1.00 1.00 O ATOM 489 CB LYS A 33 67.507 28.642 41.260 1.00 1.00 C ATOM 490 CG LYS A 33 67.359 28.499 42.777 1.00 1.00 C ATOM 491 CD LYS A 33 66.999 29.829 43.450 1.00 1.00 C ATOM 492 CE LYS A 33 65.524 30.199 43.273 1.00 1.00 C ATOM 493 NZ LYS A 33 65.251 31.563 43.775 1.00 1.00 N ATOM 0 H LYS A 33 67.608 28.599 38.853 1.00 1.00 H new ATOM 0 HA LYS A 33 68.284 26.572 40.825 1.00 1.00 H new ATOM 0 HB2 LYS A 33 68.403 29.229 41.057 1.00 1.00 H new ATOM 0 HB3 LYS A 33 66.659 29.215 40.886 1.00 1.00 H new ATOM 0 HG2 LYS A 33 66.587 27.761 42.997 1.00 1.00 H new ATOM 0 HG3 LYS A 33 68.291 28.121 43.198 1.00 1.00 H new ATOM 0 HD2 LYS A 33 67.229 29.768 44.514 1.00 1.00 H new ATOM 0 HD3 LYS A 33 67.621 30.622 43.035 1.00 1.00 H new ATOM 0 HE2 LYS A 33 65.254 30.136 42.219 1.00 1.00 H new ATOM 0 HE3 LYS A 33 64.900 29.481 43.805 1.00 1.00 H new ATOM 0 HZ1 LYS A 33 64.260 31.812 43.581 1.00 1.00 H new ATOM 0 HZ2 LYS A 33 65.422 31.596 44.800 1.00 1.00 H new ATOM 0 HZ3 LYS A 33 65.879 32.241 43.297 1.00 1.00 H new ATOM 507 N ILE A 34 66.080 25.508 40.871 1.00 1.00 N ATOM 508 CA ILE A 34 64.991 24.654 40.500 1.00 1.00 C ATOM 509 C ILE A 34 64.629 23.747 41.625 1.00 1.00 C ATOM 510 O ILE A 34 65.378 23.481 42.561 1.00 1.00 O ATOM 511 CB ILE A 34 65.287 23.875 39.247 1.00 1.00 C ATOM 512 CG1 ILE A 34 64.334 22.741 38.821 1.00 1.00 C ATOM 513 CG2 ILE A 34 66.757 23.418 39.264 1.00 1.00 C ATOM 514 CD1 ILE A 34 64.509 22.259 37.380 1.00 1.00 C ATOM 0 H ILE A 34 66.772 25.040 41.456 1.00 1.00 H new ATOM 0 HA ILE A 34 64.134 25.291 40.282 1.00 1.00 H new ATOM 0 HB ILE A 34 65.091 24.596 38.453 1.00 1.00 H new ATOM 0 HG12 ILE A 34 64.478 21.894 39.492 1.00 1.00 H new ATOM 0 HG13 ILE A 34 63.307 23.081 38.953 1.00 1.00 H new ATOM 0 HG21 ILE A 34 66.973 22.853 38.357 1.00 1.00 H new ATOM 0 HG22 ILE A 34 67.409 24.290 39.312 1.00 1.00 H new ATOM 0 HG23 ILE A 34 66.932 22.786 40.135 1.00 1.00 H new ATOM 0 HD11 ILE A 34 63.795 21.461 37.174 1.00 1.00 H new ATOM 0 HD12 ILE A 34 64.334 23.089 36.695 1.00 1.00 H new ATOM 0 HD13 ILE A 34 65.523 21.883 37.243 1.00 1.00 H new ATOM 526 N LYS A 35 63.358 23.322 41.591 1.00 1.00 N ATOM 527 CA LYS A 35 62.785 22.514 42.628 1.00 1.00 C ATOM 528 C LYS A 35 62.571 21.087 42.229 1.00 1.00 C ATOM 529 O LYS A 35 62.720 20.679 41.078 1.00 1.00 O ATOM 530 CB LYS A 35 61.575 23.174 43.315 1.00 1.00 C ATOM 531 CG LYS A 35 61.951 24.417 44.131 1.00 1.00 C ATOM 532 CD LYS A 35 62.021 25.746 43.369 1.00 1.00 C ATOM 533 CE LYS A 35 60.642 26.187 42.872 1.00 1.00 C ATOM 534 NZ LYS A 35 60.627 27.597 42.430 1.00 1.00 N ATOM 0 H LYS A 35 62.712 23.540 40.832 1.00 1.00 H new ATOM 0 HA LYS A 35 63.544 22.458 43.408 1.00 1.00 H new ATOM 0 HB2 LYS A 35 60.842 23.452 42.558 1.00 1.00 H new ATOM 0 HB3 LYS A 35 61.096 22.447 43.971 1.00 1.00 H new ATOM 0 HG2 LYS A 35 61.227 24.526 44.939 1.00 1.00 H new ATOM 0 HG3 LYS A 35 62.921 24.239 44.595 1.00 1.00 H new ATOM 0 HD2 LYS A 35 62.437 26.516 44.018 1.00 1.00 H new ATOM 0 HD3 LYS A 35 62.698 25.644 42.521 1.00 1.00 H new ATOM 0 HE2 LYS A 35 60.335 25.547 42.045 1.00 1.00 H new ATOM 0 HE3 LYS A 35 59.911 26.051 43.669 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 59.643 27.914 42.313 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 61.099 28.189 43.143 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 61.128 27.682 41.523 1.00 1.00 H new ATOM 548 N ARG A 36 62.321 20.228 43.234 1.00 1.00 N ATOM 549 CA ARG A 36 62.476 18.803 43.147 1.00 1.00 C ATOM 550 C ARG A 36 61.597 18.086 42.167 1.00 1.00 C ATOM 551 O ARG A 36 62.049 17.154 41.502 1.00 1.00 O ATOM 552 CB ARG A 36 62.301 18.187 44.550 1.00 1.00 C ATOM 553 CG ARG A 36 62.707 16.714 44.700 1.00 1.00 C ATOM 554 CD ARG A 36 64.210 16.430 44.609 1.00 1.00 C ATOM 555 NE ARG A 36 64.835 16.915 45.873 1.00 1.00 N ATOM 556 CZ ARG A 36 66.152 16.781 46.172 1.00 1.00 C ATOM 557 NH1 ARG A 36 67.078 16.362 45.277 1.00 1.00 N ATOM 558 NH2 ARG A 36 66.525 17.074 47.442 1.00 1.00 N ATOM 0 H ARG A 36 61.996 20.538 44.150 1.00 1.00 H new ATOM 0 HA ARG A 36 63.482 18.660 42.753 1.00 1.00 H new ATOM 0 HB2 ARG A 36 62.884 18.777 45.258 1.00 1.00 H new ATOM 0 HB3 ARG A 36 61.255 18.285 44.839 1.00 1.00 H new ATOM 0 HG2 ARG A 36 62.344 16.352 45.662 1.00 1.00 H new ATOM 0 HG3 ARG A 36 62.198 16.135 43.929 1.00 1.00 H new ATOM 0 HD2 ARG A 36 64.391 15.363 44.476 1.00 1.00 H new ATOM 0 HD3 ARG A 36 64.645 16.937 43.747 1.00 1.00 H new ATOM 0 HE ARG A 36 64.235 17.377 46.556 1.00 1.00 H new ATOM 0 HH11 ARG A 36 66.798 16.129 44.324 1.00 1.00 H new ATOM 0 HH12 ARG A 36 68.056 16.279 45.556 1.00 1.00 H new ATOM 0 HH21 ARG A 36 65.827 17.379 48.121 1.00 1.00 H new ATOM 0 HH22 ARG A 36 67.503 16.990 47.719 1.00 1.00 H new ATOM 572 N HIS A 37 60.322 18.488 42.006 1.00 1.00 N ATOM 573 CA HIS A 37 59.402 17.841 41.113 1.00 1.00 C ATOM 574 C HIS A 37 59.269 18.561 39.807 1.00 1.00 C ATOM 575 O HIS A 37 58.576 18.094 38.903 1.00 1.00 O ATOM 576 CB HIS A 37 58.011 17.707 41.763 1.00 1.00 C ATOM 577 CG HIS A 37 57.040 16.802 41.058 1.00 1.00 C ATOM 578 ND1 HIS A 37 55.705 17.099 40.983 1.00 1.00 N ATOM 579 CD2 HIS A 37 57.197 15.577 40.491 1.00 1.00 C ATOM 580 CE1 HIS A 37 55.069 16.105 40.389 1.00 1.00 C ATOM 581 NE2 HIS A 37 55.953 15.175 40.081 1.00 1.00 N ATOM 0 H HIS A 37 59.919 19.280 42.507 1.00 1.00 H new ATOM 0 HA HIS A 37 59.813 16.852 40.912 1.00 1.00 H new ATOM 0 HB2 HIS A 37 58.141 17.344 42.782 1.00 1.00 H new ATOM 0 HB3 HIS A 37 57.567 18.700 41.833 1.00 1.00 H new ATOM 0 HD2 HIS A 37 58.121 15.028 40.384 1.00 1.00 H new ATOM 0 HE1 HIS A 37 54.008 16.061 40.190 1.00 1.00 H new ATOM 0 HE2 HIS A 37 55.743 14.294 39.611 1.00 1.00 H new ATOM 590 N THR A 38 59.927 19.725 39.655 1.00 1.00 N ATOM 591 CA THR A 38 59.935 20.550 38.479 1.00 1.00 C ATOM 592 C THR A 38 60.484 19.860 37.266 1.00 1.00 C ATOM 593 O THR A 38 61.532 19.226 37.392 1.00 1.00 O ATOM 594 CB THR A 38 60.788 21.774 38.682 1.00 1.00 C ATOM 595 OG1 THR A 38 60.516 22.399 39.927 1.00 1.00 O ATOM 596 CG2 THR A 38 60.582 22.850 37.605 1.00 1.00 C ATOM 0 H THR A 38 60.494 20.119 40.406 1.00 1.00 H new ATOM 0 HA THR A 38 58.887 20.800 38.316 1.00 1.00 H new ATOM 0 HB THR A 38 61.810 21.398 38.635 1.00 1.00 H new ATOM 0 HG1 THR A 38 60.827 23.328 39.902 1.00 1.00 H new ATOM 0 HG21 THR A 38 61.228 23.703 37.814 1.00 1.00 H new ATOM 0 HG22 THR A 38 60.830 22.438 36.627 1.00 1.00 H new ATOM 0 HG23 THR A 38 59.541 23.174 37.609 1.00 1.00 H new ATOM 604 N PRO A 39 59.910 19.913 36.092 1.00 1.00 N ATOM 605 CA PRO A 39 60.497 19.339 34.908 1.00 1.00 C ATOM 606 C PRO A 39 61.625 20.144 34.345 1.00 1.00 C ATOM 607 O PRO A 39 61.764 21.339 34.601 1.00 1.00 O ATOM 608 CB PRO A 39 59.330 19.285 33.920 1.00 1.00 C ATOM 609 CG PRO A 39 58.466 20.493 34.302 1.00 1.00 C ATOM 610 CD PRO A 39 58.598 20.492 35.830 1.00 1.00 C ATOM 0 HA PRO A 39 60.945 18.369 35.124 1.00 1.00 H new ATOM 0 HB2 PRO A 39 59.676 19.352 32.889 1.00 1.00 H new ATOM 0 HB3 PRO A 39 58.774 18.352 34.009 1.00 1.00 H new ATOM 0 HG2 PRO A 39 58.835 21.418 33.859 1.00 1.00 H new ATOM 0 HG3 PRO A 39 57.431 20.376 33.980 1.00 1.00 H new ATOM 0 HD2 PRO A 39 58.524 21.502 36.234 1.00 1.00 H new ATOM 0 HD3 PRO A 39 57.807 19.904 36.295 1.00 1.00 H new ATOM 618 N LEU A 40 62.464 19.500 33.512 1.00 1.00 N ATOM 619 CA LEU A 40 63.591 20.075 32.837 1.00 1.00 C ATOM 620 C LEU A 40 63.230 21.116 31.825 1.00 1.00 C ATOM 621 O LEU A 40 63.994 22.022 31.495 1.00 1.00 O ATOM 622 CB LEU A 40 64.666 19.057 32.414 1.00 1.00 C ATOM 623 CG LEU A 40 64.428 18.263 31.120 1.00 1.00 C ATOM 624 CD1 LEU A 40 65.275 18.838 29.973 1.00 1.00 C ATOM 625 CD2 LEU A 40 64.797 16.797 31.395 1.00 1.00 C ATOM 0 H LEU A 40 62.347 18.510 33.295 1.00 1.00 H new ATOM 0 HA LEU A 40 64.112 20.655 33.598 1.00 1.00 H new ATOM 0 HB2 LEU A 40 65.611 19.590 32.311 1.00 1.00 H new ATOM 0 HB3 LEU A 40 64.790 18.343 33.228 1.00 1.00 H new ATOM 0 HG LEU A 40 63.383 18.333 30.816 1.00 1.00 H new ATOM 0 HD11 LEU A 40 65.094 18.264 29.064 1.00 1.00 H new ATOM 0 HD12 LEU A 40 65.001 19.879 29.805 1.00 1.00 H new ATOM 0 HD13 LEU A 40 66.331 18.779 30.236 1.00 1.00 H new ATOM 0 HD21 LEU A 40 64.638 16.206 30.493 1.00 1.00 H new ATOM 0 HD22 LEU A 40 65.845 16.735 31.690 1.00 1.00 H new ATOM 0 HD23 LEU A 40 64.170 16.409 32.198 1.00 1.00 H new ATOM 637 N SER A 41 62.005 21.039 31.277 1.00 1.00 N ATOM 638 CA SER A 41 61.434 22.020 30.399 1.00 1.00 C ATOM 639 C SER A 41 61.443 23.431 30.903 1.00 1.00 C ATOM 640 O SER A 41 61.516 24.355 30.094 1.00 1.00 O ATOM 641 CB SER A 41 60.006 21.633 29.966 1.00 1.00 C ATOM 642 OG SER A 41 59.115 21.494 31.064 1.00 1.00 O ATOM 0 H SER A 41 61.379 20.254 31.453 1.00 1.00 H new ATOM 0 HA SER A 41 62.106 22.011 29.541 1.00 1.00 H new ATOM 0 HB2 SER A 41 59.620 22.391 29.285 1.00 1.00 H new ATOM 0 HB3 SER A 41 60.041 20.695 29.412 1.00 1.00 H new ATOM 0 HG SER A 41 58.225 21.250 30.734 1.00 1.00 H new ATOM 648 N LYS A 42 61.394 23.673 32.229 1.00 1.00 N ATOM 649 CA LYS A 42 61.455 24.997 32.785 1.00 1.00 C ATOM 650 C LYS A 42 62.759 25.695 32.558 1.00 1.00 C ATOM 651 O LYS A 42 62.797 26.871 32.194 1.00 1.00 O ATOM 652 CB LYS A 42 61.220 25.022 34.308 1.00 1.00 C ATOM 653 CG LYS A 42 59.785 24.777 34.787 1.00 1.00 C ATOM 654 CD LYS A 42 58.724 25.696 34.170 1.00 1.00 C ATOM 655 CE LYS A 42 58.955 27.198 34.368 1.00 1.00 C ATOM 656 NZ LYS A 42 57.842 27.935 33.736 1.00 1.00 N ATOM 0 H LYS A 42 61.310 22.936 32.929 1.00 1.00 H new ATOM 0 HA LYS A 42 60.656 25.515 32.254 1.00 1.00 H new ATOM 0 HB2 LYS A 42 61.864 24.270 34.764 1.00 1.00 H new ATOM 0 HB3 LYS A 42 61.544 25.991 34.686 1.00 1.00 H new ATOM 0 HG2 LYS A 42 59.518 23.743 34.569 1.00 1.00 H new ATOM 0 HG3 LYS A 42 59.756 24.892 35.871 1.00 1.00 H new ATOM 0 HD2 LYS A 42 58.670 25.493 33.101 1.00 1.00 H new ATOM 0 HD3 LYS A 42 57.754 25.437 34.593 1.00 1.00 H new ATOM 0 HE2 LYS A 42 59.010 27.435 35.430 1.00 1.00 H new ATOM 0 HE3 LYS A 42 59.905 27.496 33.925 1.00 1.00 H new ATOM 0 HZ1 LYS A 42 57.986 28.957 33.863 1.00 1.00 H new ATOM 0 HZ2 LYS A 42 57.811 27.713 32.720 1.00 1.00 H new ATOM 0 HZ3 LYS A 42 56.944 27.654 34.179 1.00 1.00 H new ATOM 670 N LEU A 43 63.902 25.009 32.741 1.00 1.00 N ATOM 671 CA LEU A 43 65.182 25.607 32.492 1.00 1.00 C ATOM 672 C LEU A 43 65.433 25.848 31.038 1.00 1.00 C ATOM 673 O LEU A 43 66.081 26.827 30.677 1.00 1.00 O ATOM 674 CB LEU A 43 66.368 24.865 33.135 1.00 1.00 C ATOM 675 CG LEU A 43 66.567 23.406 32.693 1.00 1.00 C ATOM 676 CD1 LEU A 43 68.041 23.130 32.364 1.00 1.00 C ATOM 677 CD2 LEU A 43 66.019 22.450 33.763 1.00 1.00 C ATOM 0 H LEU A 43 63.942 24.041 33.061 1.00 1.00 H new ATOM 0 HA LEU A 43 65.122 26.574 32.992 1.00 1.00 H new ATOM 0 HB2 LEU A 43 67.281 25.419 32.914 1.00 1.00 H new ATOM 0 HB3 LEU A 43 66.239 24.882 34.217 1.00 1.00 H new ATOM 0 HG LEU A 43 66.003 23.231 31.777 1.00 1.00 H new ATOM 0 HD11 LEU A 43 68.156 22.091 32.054 1.00 1.00 H new ATOM 0 HD12 LEU A 43 68.363 23.788 31.557 1.00 1.00 H new ATOM 0 HD13 LEU A 43 68.652 23.315 33.248 1.00 1.00 H new ATOM 0 HD21 LEU A 43 66.165 21.419 33.439 1.00 1.00 H new ATOM 0 HD22 LEU A 43 66.547 22.614 34.702 1.00 1.00 H new ATOM 0 HD23 LEU A 43 64.955 22.637 33.908 1.00 1.00 H new ATOM 689 N MET A 44 64.887 25.014 30.134 1.00 1.00 N ATOM 690 CA MET A 44 64.909 25.256 28.719 1.00 1.00 C ATOM 691 C MET A 44 64.219 26.522 28.314 1.00 1.00 C ATOM 692 O MET A 44 64.746 27.322 27.543 1.00 1.00 O ATOM 693 CB MET A 44 64.299 24.051 27.975 1.00 1.00 C ATOM 694 CG MET A 44 64.210 24.175 26.447 1.00 1.00 C ATOM 695 SD MET A 44 65.813 24.175 25.590 1.00 1.00 S ATOM 696 CE MET A 44 65.962 22.366 25.526 1.00 1.00 C ATOM 0 H MET A 44 64.416 24.146 30.392 1.00 1.00 H new ATOM 0 HA MET A 44 65.955 25.382 28.440 1.00 1.00 H new ATOM 0 HB2 MET A 44 64.889 23.166 28.214 1.00 1.00 H new ATOM 0 HB3 MET A 44 63.295 23.880 28.364 1.00 1.00 H new ATOM 0 HG2 MET A 44 63.609 23.351 26.064 1.00 1.00 H new ATOM 0 HG3 MET A 44 63.682 25.096 26.201 1.00 1.00 H new ATOM 0 HE1 MET A 44 66.885 22.095 25.014 1.00 1.00 H new ATOM 0 HE2 MET A 44 65.978 21.966 26.540 1.00 1.00 H new ATOM 0 HE3 MET A 44 65.112 21.950 24.985 1.00 1.00 H new ATOM 706 N LYS A 45 63.036 26.801 28.890 1.00 1.00 N ATOM 707 CA LYS A 45 62.342 28.047 28.737 1.00 1.00 C ATOM 708 C LYS A 45 63.111 29.224 29.257 1.00 1.00 C ATOM 709 O LYS A 45 63.220 30.269 28.618 1.00 1.00 O ATOM 710 CB LYS A 45 60.978 27.898 29.440 1.00 1.00 C ATOM 711 CG LYS A 45 60.181 29.187 29.658 1.00 1.00 C ATOM 712 CD LYS A 45 59.867 29.970 28.380 1.00 1.00 C ATOM 713 CE LYS A 45 59.598 31.434 28.733 1.00 1.00 C ATOM 714 NZ LYS A 45 59.277 32.236 27.535 1.00 1.00 N ATOM 0 H LYS A 45 62.542 26.136 29.485 1.00 1.00 H new ATOM 0 HA LYS A 45 62.211 28.257 27.675 1.00 1.00 H new ATOM 0 HB2 LYS A 45 60.365 27.212 28.855 1.00 1.00 H new ATOM 0 HB3 LYS A 45 61.143 27.430 30.410 1.00 1.00 H new ATOM 0 HG2 LYS A 45 59.243 28.938 30.155 1.00 1.00 H new ATOM 0 HG3 LYS A 45 60.739 29.833 30.336 1.00 1.00 H new ATOM 0 HD2 LYS A 45 60.702 29.900 27.683 1.00 1.00 H new ATOM 0 HD3 LYS A 45 58.999 29.540 27.881 1.00 1.00 H new ATOM 0 HE2 LYS A 45 58.771 31.491 29.441 1.00 1.00 H new ATOM 0 HE3 LYS A 45 60.473 31.855 29.229 1.00 1.00 H new ATOM 0 HZ1 LYS A 45 59.101 33.222 27.814 1.00 1.00 H new ATOM 0 HZ2 LYS A 45 60.076 32.202 26.870 1.00 1.00 H new ATOM 0 HZ3 LYS A 45 58.428 31.849 27.076 1.00 1.00 H new ATOM 728 N ALA A 46 63.740 29.096 30.439 1.00 1.00 N ATOM 729 CA ALA A 46 64.531 30.122 31.058 1.00 1.00 C ATOM 730 C ALA A 46 65.819 30.414 30.350 1.00 1.00 C ATOM 731 O ALA A 46 66.280 31.551 30.263 1.00 1.00 O ATOM 732 CB ALA A 46 64.770 29.729 32.525 1.00 1.00 C ATOM 0 H ALA A 46 63.697 28.239 30.991 1.00 1.00 H new ATOM 0 HA ALA A 46 63.972 31.056 30.997 1.00 1.00 H new ATOM 0 HB1 ALA A 46 65.370 30.496 33.014 1.00 1.00 H new ATOM 0 HB2 ALA A 46 63.812 29.636 33.037 1.00 1.00 H new ATOM 0 HB3 ALA A 46 65.297 28.776 32.565 1.00 1.00 H new ATOM 738 N TYR A 47 66.446 29.387 29.751 1.00 1.00 N ATOM 739 CA TYR A 47 67.570 29.456 28.862 1.00 1.00 C ATOM 740 C TYR A 47 67.255 30.259 27.638 1.00 1.00 C ATOM 741 O TYR A 47 68.081 31.003 27.115 1.00 1.00 O ATOM 742 CB TYR A 47 67.987 28.017 28.494 1.00 1.00 C ATOM 743 CG TYR A 47 69.261 27.841 27.735 1.00 1.00 C ATOM 744 CD1 TYR A 47 70.367 28.656 27.908 1.00 1.00 C ATOM 745 CD2 TYR A 47 69.354 26.764 26.872 1.00 1.00 C ATOM 746 CE1 TYR A 47 71.534 28.423 27.201 1.00 1.00 C ATOM 747 CE2 TYR A 47 70.522 26.516 26.174 1.00 1.00 C ATOM 748 CZ TYR A 47 71.605 27.359 26.321 1.00 1.00 C ATOM 749 OH TYR A 47 72.759 27.148 25.538 1.00 1.00 O ATOM 0 H TYR A 47 66.141 28.425 29.901 1.00 1.00 H new ATOM 0 HA TYR A 47 68.396 29.964 29.360 1.00 1.00 H new ATOM 0 HB2 TYR A 47 68.063 27.442 29.417 1.00 1.00 H new ATOM 0 HB3 TYR A 47 67.182 27.573 27.908 1.00 1.00 H new ATOM 0 HD1 TYR A 47 70.319 29.482 28.602 1.00 1.00 H new ATOM 0 HD2 TYR A 47 68.505 26.109 26.742 1.00 1.00 H new ATOM 0 HE1 TYR A 47 72.387 29.071 27.337 1.00 1.00 H new ATOM 0 HE2 TYR A 47 70.587 25.663 25.514 1.00 1.00 H new ATOM 0 HH TYR A 47 73.047 26.215 25.625 1.00 1.00 H new ATOM 759 N CYS A 48 66.018 30.153 27.126 1.00 1.00 N ATOM 760 CA CYS A 48 65.432 30.952 26.092 1.00 1.00 C ATOM 761 C CYS A 48 65.148 32.359 26.509 1.00 1.00 C ATOM 762 O CYS A 48 65.203 33.268 25.684 1.00 1.00 O ATOM 763 CB CYS A 48 64.209 30.296 25.426 1.00 1.00 C ATOM 764 SG CYS A 48 64.634 28.715 24.631 1.00 1.00 S ATOM 0 H CYS A 48 65.369 29.444 27.466 1.00 1.00 H new ATOM 0 HA CYS A 48 66.206 31.010 25.327 1.00 1.00 H new ATOM 0 HB2 CYS A 48 63.434 30.129 26.174 1.00 1.00 H new ATOM 0 HB3 CYS A 48 63.793 30.976 24.682 1.00 1.00 H new ATOM 0 HG CYS A 48 64.804 27.803 25.542 1.00 1.00 H new ATOM 770 N GLU A 49 64.839 32.651 27.785 1.00 1.00 N ATOM 771 CA GLU A 49 64.890 34.017 28.223 1.00 1.00 C ATOM 772 C GLU A 49 66.279 34.585 28.242 1.00 1.00 C ATOM 773 O GLU A 49 66.519 35.652 27.677 1.00 1.00 O ATOM 774 CB GLU A 49 64.264 34.189 29.623 1.00 1.00 C ATOM 775 CG GLU A 49 62.770 33.840 29.704 1.00 1.00 C ATOM 776 CD GLU A 49 62.074 34.456 30.910 1.00 1.00 C ATOM 777 OE1 GLU A 49 62.600 34.374 32.053 1.00 1.00 O ATOM 778 OE2 GLU A 49 60.964 35.026 30.731 1.00 1.00 O ATOM 0 H GLU A 49 64.563 31.971 28.494 1.00 1.00 H new ATOM 0 HA GLU A 49 64.309 34.571 27.486 1.00 1.00 H new ATOM 0 HB2 GLU A 49 64.809 33.562 30.329 1.00 1.00 H new ATOM 0 HB3 GLU A 49 64.400 35.222 29.943 1.00 1.00 H new ATOM 0 HG2 GLU A 49 62.275 34.179 28.794 1.00 1.00 H new ATOM 0 HG3 GLU A 49 62.658 32.756 29.743 1.00 1.00 H new ATOM 785 N ARG A 50 67.248 33.920 28.902 1.00 1.00 N ATOM 786 CA ARG A 50 68.611 34.367 28.982 1.00 1.00 C ATOM 787 C ARG A 50 69.641 34.212 27.900 1.00 1.00 C ATOM 788 O ARG A 50 70.371 35.170 27.652 1.00 1.00 O ATOM 789 CB ARG A 50 69.206 33.871 30.315 1.00 1.00 C ATOM 790 CG ARG A 50 68.703 34.717 31.490 1.00 1.00 C ATOM 791 CD ARG A 50 69.707 34.803 32.642 1.00 1.00 C ATOM 792 NE ARG A 50 69.040 35.577 33.730 1.00 1.00 N ATOM 793 CZ ARG A 50 69.666 36.095 34.817 1.00 1.00 C ATOM 794 NH1 ARG A 50 71.010 36.020 34.978 1.00 1.00 N ATOM 795 NH2 ARG A 50 68.921 36.690 35.780 1.00 1.00 N ATOM 0 H ARG A 50 67.080 33.044 29.396 1.00 1.00 H new ATOM 0 HA ARG A 50 68.433 35.435 28.854 1.00 1.00 H new ATOM 0 HB2 ARG A 50 68.935 32.827 30.472 1.00 1.00 H new ATOM 0 HB3 ARG A 50 70.294 33.915 30.270 1.00 1.00 H new ATOM 0 HG2 ARG A 50 68.479 35.723 31.136 1.00 1.00 H new ATOM 0 HG3 ARG A 50 67.769 34.294 31.861 1.00 1.00 H new ATOM 0 HD2 ARG A 50 69.985 33.808 32.989 1.00 1.00 H new ATOM 0 HD3 ARG A 50 70.624 35.297 32.321 1.00 1.00 H new ATOM 0 HE ARG A 50 68.034 35.729 33.650 1.00 1.00 H new ATOM 0 HH11 ARG A 50 71.584 35.563 34.269 1.00 1.00 H new ATOM 0 HH12 ARG A 50 71.447 36.420 35.808 1.00 1.00 H new ATOM 0 HH21 ARG A 50 67.907 36.743 35.681 1.00 1.00 H new ATOM 0 HH22 ARG A 50 69.374 37.085 36.604 1.00 1.00 H new ATOM 809 N GLN A 51 69.785 33.069 27.201 1.00 1.00 N ATOM 810 CA GLN A 51 71.029 32.774 26.533 1.00 1.00 C ATOM 811 C GLN A 51 71.065 31.755 25.432 1.00 1.00 C ATOM 812 O GLN A 51 72.013 31.746 24.648 1.00 1.00 O ATOM 813 CB GLN A 51 72.018 32.187 27.563 1.00 1.00 C ATOM 814 CG GLN A 51 72.735 33.196 28.470 1.00 1.00 C ATOM 815 CD GLN A 51 73.749 34.044 27.712 1.00 1.00 C ATOM 816 OE1 GLN A 51 74.869 33.616 27.432 1.00 1.00 O ATOM 817 NE2 GLN A 51 73.351 35.297 27.370 1.00 1.00 N ATOM 0 H GLN A 51 69.060 32.359 27.096 1.00 1.00 H new ATOM 0 HA GLN A 51 71.253 33.742 26.084 1.00 1.00 H new ATOM 0 HB2 GLN A 51 71.476 31.484 28.195 1.00 1.00 H new ATOM 0 HB3 GLN A 51 72.773 31.615 27.024 1.00 1.00 H new ATOM 0 HG2 GLN A 51 71.997 33.848 28.937 1.00 1.00 H new ATOM 0 HG3 GLN A 51 73.242 32.661 29.274 1.00 1.00 H new ATOM 0 HE21 GLN A 51 72.416 35.620 27.617 1.00 1.00 H new ATOM 0 HE22 GLN A 51 73.987 35.914 26.866 1.00 1.00 H new ATOM 826 N GLY A 52 70.085 30.849 25.266 1.00 1.00 N ATOM 827 CA GLY A 52 70.067 29.912 24.174 1.00 1.00 C ATOM 828 C GLY A 52 69.181 30.395 23.075 1.00 1.00 C ATOM 829 O GLY A 52 69.451 30.254 21.883 1.00 1.00 O ATOM 0 H GLY A 52 69.289 30.761 25.898 1.00 1.00 H new ATOM 0 HA2 GLY A 52 71.079 29.769 23.795 1.00 1.00 H new ATOM 0 HA3 GLY A 52 69.719 28.941 24.528 1.00 1.00 H new ATOM 833 N LEU A 53 68.079 31.011 23.530 1.00 1.00 N ATOM 834 CA LEU A 53 67.140 31.905 22.915 1.00 1.00 C ATOM 835 C LEU A 53 66.320 31.675 21.694 1.00 1.00 C ATOM 836 O LEU A 53 65.188 32.135 21.555 1.00 1.00 O ATOM 837 CB LEU A 53 67.294 33.401 23.240 1.00 1.00 C ATOM 838 CG LEU A 53 68.558 33.782 24.028 1.00 1.00 C ATOM 839 CD1 LEU A 53 69.824 33.787 23.153 1.00 1.00 C ATOM 840 CD2 LEU A 53 68.411 35.163 24.684 1.00 1.00 C ATOM 0 H LEU A 53 67.802 30.851 24.499 1.00 1.00 H new ATOM 0 HA LEU A 53 66.477 31.270 23.503 1.00 1.00 H new ATOM 0 HB2 LEU A 53 67.288 33.960 22.304 1.00 1.00 H new ATOM 0 HB3 LEU A 53 66.422 33.723 23.809 1.00 1.00 H new ATOM 0 HG LEU A 53 68.670 33.015 24.794 1.00 1.00 H new ATOM 0 HD11 LEU A 53 70.686 34.063 23.761 1.00 1.00 H new ATOM 0 HD12 LEU A 53 69.980 32.793 22.733 1.00 1.00 H new ATOM 0 HD13 LEU A 53 69.705 34.508 22.345 1.00 1.00 H new ATOM 0 HD21 LEU A 53 69.321 35.403 25.234 1.00 1.00 H new ATOM 0 HD22 LEU A 53 68.243 35.916 23.914 1.00 1.00 H new ATOM 0 HD23 LEU A 53 67.565 35.151 25.371 1.00 1.00 H new ATOM 852 N SER A 54 66.866 30.838 20.810 1.00 1.00 N ATOM 853 CA SER A 54 66.112 30.078 19.867 1.00 1.00 C ATOM 854 C SER A 54 66.052 28.691 20.413 1.00 1.00 C ATOM 855 O SER A 54 67.079 28.046 20.614 1.00 1.00 O ATOM 856 CB SER A 54 66.833 30.082 18.514 1.00 1.00 C ATOM 857 OG SER A 54 66.730 31.348 17.874 1.00 1.00 O ATOM 0 H SER A 54 67.872 30.681 20.745 1.00 1.00 H new ATOM 0 HA SER A 54 65.114 30.489 19.717 1.00 1.00 H new ATOM 0 HB2 SER A 54 67.884 29.831 18.659 1.00 1.00 H new ATOM 0 HB3 SER A 54 66.407 29.312 17.871 1.00 1.00 H new ATOM 0 HG SER A 54 66.905 31.245 16.915 1.00 1.00 H new ATOM 863 N MET A 55 64.845 28.136 20.608 1.00 1.00 N ATOM 864 CA MET A 55 64.636 26.751 20.918 1.00 1.00 C ATOM 865 C MET A 55 65.080 25.841 19.813 1.00 1.00 C ATOM 866 O MET A 55 65.350 24.662 20.042 1.00 1.00 O ATOM 867 CB MET A 55 63.193 26.470 21.377 1.00 1.00 C ATOM 868 CG MET A 55 62.077 26.904 20.421 1.00 1.00 C ATOM 869 SD MET A 55 60.432 26.528 21.098 1.00 1.00 S ATOM 870 CE MET A 55 59.512 27.578 19.937 1.00 1.00 C ATOM 0 H MET A 55 63.978 28.670 20.548 1.00 1.00 H new ATOM 0 HA MET A 55 65.278 26.523 21.768 1.00 1.00 H new ATOM 0 HB2 MET A 55 63.093 25.399 21.555 1.00 1.00 H new ATOM 0 HB3 MET A 55 63.036 26.968 22.334 1.00 1.00 H new ATOM 0 HG2 MET A 55 62.157 27.974 20.230 1.00 1.00 H new ATOM 0 HG3 MET A 55 62.201 26.399 19.463 1.00 1.00 H new ATOM 0 HE1 MET A 55 58.446 27.515 20.155 1.00 1.00 H new ATOM 0 HE2 MET A 55 59.843 28.611 20.040 1.00 1.00 H new ATOM 0 HE3 MET A 55 59.694 27.239 18.917 1.00 1.00 H new ATOM 880 N ARG A 56 65.238 26.374 18.585 1.00 1.00 N ATOM 881 CA ARG A 56 65.773 25.632 17.481 1.00 1.00 C ATOM 882 C ARG A 56 67.260 25.750 17.353 1.00 1.00 C ATOM 883 O ARG A 56 67.874 25.075 16.530 1.00 1.00 O ATOM 884 CB ARG A 56 65.063 25.987 16.160 1.00 1.00 C ATOM 885 CG ARG A 56 65.455 27.314 15.501 1.00 1.00 C ATOM 886 CD ARG A 56 64.505 27.766 14.388 1.00 1.00 C ATOM 887 NE ARG A 56 64.463 26.674 13.372 1.00 1.00 N ATOM 888 CZ ARG A 56 64.358 26.830 12.028 1.00 1.00 C ATOM 889 NH1 ARG A 56 64.272 28.034 11.414 1.00 1.00 N ATOM 890 NH2 ARG A 56 64.360 25.711 11.264 1.00 1.00 N ATOM 0 H ARG A 56 64.990 27.336 18.355 1.00 1.00 H new ATOM 0 HA ARG A 56 65.571 24.584 17.700 1.00 1.00 H new ATOM 0 HB2 ARG A 56 65.251 25.185 15.447 1.00 1.00 H new ATOM 0 HB3 ARG A 56 63.989 26.004 16.345 1.00 1.00 H new ATOM 0 HG2 ARG A 56 65.495 28.089 16.266 1.00 1.00 H new ATOM 0 HG3 ARG A 56 66.460 27.220 15.090 1.00 1.00 H new ATOM 0 HD2 ARG A 56 63.509 27.958 14.787 1.00 1.00 H new ATOM 0 HD3 ARG A 56 64.854 28.696 13.939 1.00 1.00 H new ATOM 0 HE ARG A 56 64.519 25.717 13.722 1.00 1.00 H new ATOM 0 HH11 ARG A 56 64.284 28.891 11.967 1.00 1.00 H new ATOM 0 HH12 ARG A 56 64.195 28.084 10.398 1.00 1.00 H new ATOM 0 HH21 ARG A 56 64.439 24.794 11.703 1.00 1.00 H new ATOM 0 HH22 ARG A 56 64.283 25.786 10.250 1.00 1.00 H new ATOM 904 N GLN A 57 67.931 26.561 18.195 1.00 1.00 N ATOM 905 CA GLN A 57 69.366 26.598 18.236 1.00 1.00 C ATOM 906 C GLN A 57 69.944 25.496 19.065 1.00 1.00 C ATOM 907 O GLN A 57 70.968 24.913 18.707 1.00 1.00 O ATOM 908 CB GLN A 57 69.907 27.957 18.732 1.00 1.00 C ATOM 909 CG GLN A 57 70.195 28.891 17.550 1.00 1.00 C ATOM 910 CD GLN A 57 70.673 30.249 18.044 1.00 1.00 C ATOM 911 OE1 GLN A 57 71.773 30.377 18.583 1.00 1.00 O ATOM 912 NE2 GLN A 57 69.808 31.285 17.894 1.00 1.00 N ATOM 0 H GLN A 57 67.477 27.196 18.852 1.00 1.00 H new ATOM 0 HA GLN A 57 69.686 26.455 17.204 1.00 1.00 H new ATOM 0 HB2 GLN A 57 69.181 28.421 19.400 1.00 1.00 H new ATOM 0 HB3 GLN A 57 70.818 27.802 19.310 1.00 1.00 H new ATOM 0 HG2 GLN A 57 70.952 28.446 16.904 1.00 1.00 H new ATOM 0 HG3 GLN A 57 69.294 29.013 16.948 1.00 1.00 H new ATOM 0 HE21 GLN A 57 68.906 31.135 17.441 1.00 1.00 H new ATOM 0 HE22 GLN A 57 70.060 32.213 18.234 1.00 1.00 H new ATOM 921 N ILE A 58 69.305 25.154 20.199 1.00 1.00 N ATOM 922 CA ILE A 58 69.932 24.334 21.198 1.00 1.00 C ATOM 923 C ILE A 58 69.098 23.156 21.594 1.00 1.00 C ATOM 924 O ILE A 58 67.873 23.227 21.665 1.00 1.00 O ATOM 925 CB ILE A 58 70.385 25.135 22.393 1.00 1.00 C ATOM 926 CG1 ILE A 58 69.490 26.337 22.755 1.00 1.00 C ATOM 927 CG2 ILE A 58 71.806 25.649 22.089 1.00 1.00 C ATOM 928 CD1 ILE A 58 68.103 25.988 23.295 1.00 1.00 C ATOM 0 H ILE A 58 68.354 25.444 20.427 1.00 1.00 H new ATOM 0 HA ILE A 58 70.829 23.927 20.731 1.00 1.00 H new ATOM 0 HB ILE A 58 70.338 24.470 23.255 1.00 1.00 H new ATOM 0 HG12 ILE A 58 70.008 26.942 23.499 1.00 1.00 H new ATOM 0 HG13 ILE A 58 69.369 26.958 21.867 1.00 1.00 H new ATOM 0 HG21 ILE A 58 72.169 26.235 22.933 1.00 1.00 H new ATOM 0 HG22 ILE A 58 72.471 24.802 21.922 1.00 1.00 H new ATOM 0 HG23 ILE A 58 71.784 26.274 21.196 1.00 1.00 H new ATOM 0 HD11 ILE A 58 67.558 26.905 23.517 1.00 1.00 H new ATOM 0 HD12 ILE A 58 67.556 25.413 22.548 1.00 1.00 H new ATOM 0 HD13 ILE A 58 68.205 25.397 24.205 1.00 1.00 H new ATOM 940 N ARG A 59 69.747 22.000 21.832 1.00 1.00 N ATOM 941 CA ARG A 59 69.149 20.795 22.333 1.00 1.00 C ATOM 942 C ARG A 59 70.066 20.190 23.351 1.00 1.00 C ATOM 943 O ARG A 59 71.263 20.472 23.350 1.00 1.00 O ATOM 944 CB ARG A 59 68.883 19.764 21.219 1.00 1.00 C ATOM 945 CG ARG A 59 67.726 20.078 20.261 1.00 1.00 C ATOM 946 CD ARG A 59 66.326 19.959 20.874 1.00 1.00 C ATOM 947 NE ARG A 59 65.975 21.306 21.410 1.00 1.00 N ATOM 948 CZ ARG A 59 64.838 21.629 22.075 1.00 1.00 C ATOM 949 NH1 ARG A 59 64.009 20.706 22.618 1.00 1.00 N ATOM 950 NH2 ARG A 59 64.533 22.942 22.215 1.00 1.00 N ATOM 0 H ARG A 59 70.748 21.899 21.665 1.00 1.00 H new ATOM 0 HA ARG A 59 68.187 21.057 22.774 1.00 1.00 H new ATOM 0 HB2 ARG A 59 69.794 19.654 20.630 1.00 1.00 H new ATOM 0 HB3 ARG A 59 68.687 18.799 21.686 1.00 1.00 H new ATOM 0 HG2 ARG A 59 67.854 21.091 19.880 1.00 1.00 H new ATOM 0 HG3 ARG A 59 67.790 19.405 19.406 1.00 1.00 H new ATOM 0 HD2 ARG A 59 65.602 19.640 20.125 1.00 1.00 H new ATOM 0 HD3 ARG A 59 66.314 19.212 21.667 1.00 1.00 H new ATOM 0 HE ARG A 59 66.653 22.054 21.263 1.00 1.00 H new ATOM 0 HH11 ARG A 59 64.228 19.713 22.537 1.00 1.00 H new ATOM 0 HH12 ARG A 59 63.166 21.004 23.108 1.00 1.00 H new ATOM 0 HH21 ARG A 59 65.151 23.654 21.826 1.00 1.00 H new ATOM 0 HH22 ARG A 59 63.685 23.219 22.710 1.00 1.00 H new ATOM 964 N PHE A 60 69.550 19.386 24.301 1.00 1.00 N ATOM 965 CA PHE A 60 70.284 18.953 25.456 1.00 1.00 C ATOM 966 C PHE A 60 70.698 17.515 25.369 1.00 1.00 C ATOM 967 O PHE A 60 69.980 16.661 24.848 1.00 1.00 O ATOM 968 CB PHE A 60 69.425 19.093 26.730 1.00 1.00 C ATOM 969 CG PHE A 60 69.042 20.465 27.183 1.00 1.00 C ATOM 970 CD1 PHE A 60 69.460 21.647 26.598 1.00 1.00 C ATOM 971 CD2 PHE A 60 68.223 20.538 28.298 1.00 1.00 C ATOM 972 CE1 PHE A 60 69.066 22.872 27.107 1.00 1.00 C ATOM 973 CE2 PHE A 60 67.823 21.755 28.818 1.00 1.00 C ATOM 974 CZ PHE A 60 68.246 22.927 28.219 1.00 1.00 C ATOM 0 H PHE A 60 68.596 19.026 24.266 1.00 1.00 H new ATOM 0 HA PHE A 60 71.170 19.587 25.497 1.00 1.00 H new ATOM 0 HB2 PHE A 60 68.507 18.526 26.575 1.00 1.00 H new ATOM 0 HB3 PHE A 60 69.962 18.612 27.547 1.00 1.00 H new ATOM 0 HD1 PHE A 60 70.103 21.613 25.731 1.00 1.00 H new ATOM 0 HD2 PHE A 60 67.890 19.626 28.771 1.00 1.00 H new ATOM 0 HE1 PHE A 60 69.399 23.785 26.636 1.00 1.00 H new ATOM 0 HE2 PHE A 60 67.183 21.790 29.688 1.00 1.00 H new ATOM 0 HZ PHE A 60 67.937 23.882 28.618 1.00 1.00 H new ATOM 984 N ARG A 61 71.886 17.188 25.909 1.00 1.00 N ATOM 985 CA ARG A 61 72.454 15.871 25.979 1.00 1.00 C ATOM 986 C ARG A 61 72.851 15.485 27.368 1.00 1.00 C ATOM 987 O ARG A 61 73.353 16.280 28.163 1.00 1.00 O ATOM 988 CB ARG A 61 73.723 15.723 25.117 1.00 1.00 C ATOM 989 CG ARG A 61 73.396 15.647 23.623 1.00 1.00 C ATOM 990 CD ARG A 61 74.617 15.440 22.724 1.00 1.00 C ATOM 991 NE ARG A 61 74.105 15.461 21.325 1.00 1.00 N ATOM 992 CZ ARG A 61 74.753 14.956 20.245 1.00 1.00 C ATOM 993 NH1 ARG A 61 75.998 14.427 20.322 1.00 1.00 N ATOM 994 NH2 ARG A 61 74.153 15.002 19.030 1.00 1.00 N ATOM 0 H ARG A 61 72.494 17.892 26.327 1.00 1.00 H new ATOM 0 HA ARG A 61 71.658 15.224 25.610 1.00 1.00 H new ATOM 0 HB2 ARG A 61 74.386 16.568 25.300 1.00 1.00 H new ATOM 0 HB3 ARG A 61 74.262 14.824 25.416 1.00 1.00 H new ATOM 0 HG2 ARG A 61 72.694 14.830 23.457 1.00 1.00 H new ATOM 0 HG3 ARG A 61 72.891 16.566 23.326 1.00 1.00 H new ATOM 0 HD2 ARG A 61 75.355 16.226 22.881 1.00 1.00 H new ATOM 0 HD3 ARG A 61 75.109 14.493 22.945 1.00 1.00 H new ATOM 0 HE ARG A 61 73.193 15.890 21.166 1.00 1.00 H new ATOM 0 HH11 ARG A 61 76.485 14.397 21.218 1.00 1.00 H new ATOM 0 HH12 ARG A 61 76.448 14.058 19.484 1.00 1.00 H new ATOM 0 HH21 ARG A 61 73.224 15.413 18.935 1.00 1.00 H new ATOM 0 HH22 ARG A 61 74.630 14.626 18.211 1.00 1.00 H new ATOM 1008 N PHE A 62 72.685 14.183 27.663 1.00 1.00 N ATOM 1009 CA PHE A 62 73.202 13.541 28.834 1.00 1.00 C ATOM 1010 C PHE A 62 74.192 12.504 28.410 1.00 1.00 C ATOM 1011 O PHE A 62 73.831 11.502 27.796 1.00 1.00 O ATOM 1012 CB PHE A 62 72.072 12.878 29.645 1.00 1.00 C ATOM 1013 CG PHE A 62 72.499 12.198 30.907 1.00 1.00 C ATOM 1014 CD1 PHE A 62 73.457 12.737 31.748 1.00 1.00 C ATOM 1015 CD2 PHE A 62 71.896 11.004 31.264 1.00 1.00 C ATOM 1016 CE1 PHE A 62 73.811 12.095 32.921 1.00 1.00 C ATOM 1017 CE2 PHE A 62 72.237 10.359 32.438 1.00 1.00 C ATOM 1018 CZ PHE A 62 73.193 10.910 33.271 1.00 1.00 C ATOM 0 H PHE A 62 72.166 13.547 27.057 1.00 1.00 H new ATOM 0 HA PHE A 62 73.679 14.287 29.469 1.00 1.00 H new ATOM 0 HB2 PHE A 62 71.333 13.639 29.895 1.00 1.00 H new ATOM 0 HB3 PHE A 62 71.573 12.146 29.009 1.00 1.00 H new ATOM 0 HD1 PHE A 62 73.934 13.670 31.485 1.00 1.00 H new ATOM 0 HD2 PHE A 62 71.149 10.570 30.616 1.00 1.00 H new ATOM 0 HE1 PHE A 62 74.569 12.519 33.562 1.00 1.00 H new ATOM 0 HE2 PHE A 62 71.758 9.428 32.704 1.00 1.00 H new ATOM 0 HZ PHE A 62 73.456 10.415 34.194 1.00 1.00 H new ATOM 1028 N ASP A 63 75.484 12.725 28.714 1.00 1.00 N ATOM 1029 CA ASP A 63 76.586 11.838 28.473 1.00 1.00 C ATOM 1030 C ASP A 63 76.637 11.269 27.086 1.00 1.00 C ATOM 1031 O ASP A 63 76.729 10.062 26.860 1.00 1.00 O ATOM 1032 CB ASP A 63 76.698 10.798 29.606 1.00 1.00 C ATOM 1033 CG ASP A 63 78.127 10.325 29.802 1.00 1.00 C ATOM 1034 OD1 ASP A 63 79.014 11.165 30.111 1.00 1.00 O ATOM 1035 OD2 ASP A 63 78.409 9.101 29.720 1.00 1.00 O ATOM 0 H ASP A 63 75.782 13.591 29.163 1.00 1.00 H new ATOM 0 HA ASP A 63 77.496 12.437 28.503 1.00 1.00 H new ATOM 0 HB2 ASP A 63 76.329 11.232 30.535 1.00 1.00 H new ATOM 0 HB3 ASP A 63 76.061 9.943 29.378 1.00 1.00 H new ATOM 1040 N GLY A 64 76.537 12.169 26.091 1.00 1.00 N ATOM 1041 CA GLY A 64 76.520 11.868 24.688 1.00 1.00 C ATOM 1042 C GLY A 64 75.221 11.434 24.090 1.00 1.00 C ATOM 1043 O GLY A 64 75.178 11.190 22.886 1.00 1.00 O ATOM 0 H GLY A 64 76.463 13.169 26.276 1.00 1.00 H new ATOM 0 HA2 GLY A 64 76.858 12.754 24.150 1.00 1.00 H new ATOM 0 HA3 GLY A 64 77.254 11.083 24.504 1.00 1.00 H new ATOM 1047 N GLN A 65 74.112 11.351 24.849 1.00 1.00 N ATOM 1048 CA GLN A 65 72.845 10.923 24.329 1.00 1.00 C ATOM 1049 C GLN A 65 71.827 12.016 24.459 1.00 1.00 C ATOM 1050 O GLN A 65 71.756 12.618 25.529 1.00 1.00 O ATOM 1051 CB GLN A 65 72.307 9.673 25.054 1.00 1.00 C ATOM 1052 CG GLN A 65 73.216 8.450 24.871 1.00 1.00 C ATOM 1053 CD GLN A 65 72.550 7.151 25.310 1.00 1.00 C ATOM 1054 OE1 GLN A 65 72.283 6.251 24.512 1.00 1.00 O ATOM 1055 NE2 GLN A 65 72.262 7.026 26.630 1.00 1.00 N ATOM 0 H GLN A 65 74.093 11.585 25.842 1.00 1.00 H new ATOM 0 HA GLN A 65 73.010 10.676 23.280 1.00 1.00 H new ATOM 0 HB2 GLN A 65 72.205 9.890 26.117 1.00 1.00 H new ATOM 0 HB3 GLN A 65 71.310 9.440 24.679 1.00 1.00 H new ATOM 0 HG2 GLN A 65 73.504 8.370 23.823 1.00 1.00 H new ATOM 0 HG3 GLN A 65 74.133 8.595 25.443 1.00 1.00 H new ATOM 0 HE21 GLN A 65 72.491 7.782 27.276 1.00 1.00 H new ATOM 0 HE22 GLN A 65 71.817 6.176 26.977 1.00 1.00 H new ATOM 1064 N PRO A 66 71.031 12.355 23.477 1.00 1.00 N ATOM 1065 CA PRO A 66 69.884 13.218 23.618 1.00 1.00 C ATOM 1066 C PRO A 66 68.937 12.933 24.742 1.00 1.00 C ATOM 1067 O PRO A 66 68.545 11.781 24.926 1.00 1.00 O ATOM 1068 CB PRO A 66 69.174 13.112 22.268 1.00 1.00 C ATOM 1069 CG PRO A 66 70.330 12.910 21.280 1.00 1.00 C ATOM 1070 CD PRO A 66 71.257 11.989 22.084 1.00 1.00 C ATOM 0 HA PRO A 66 70.234 14.215 23.885 1.00 1.00 H new ATOM 0 HB2 PRO A 66 68.474 12.277 22.245 1.00 1.00 H new ATOM 0 HB3 PRO A 66 68.603 14.012 22.041 1.00 1.00 H new ATOM 0 HG2 PRO A 66 69.999 12.449 20.349 1.00 1.00 H new ATOM 0 HG3 PRO A 66 70.814 13.850 21.016 1.00 1.00 H new ATOM 0 HD2 PRO A 66 71.021 10.939 21.908 1.00 1.00 H new ATOM 0 HD3 PRO A 66 72.300 12.133 21.801 1.00 1.00 H new ATOM 1078 N ILE A 67 68.497 13.966 25.483 1.00 1.00 N ATOM 1079 CA ILE A 67 67.485 13.875 26.498 1.00 1.00 C ATOM 1080 C ILE A 67 66.325 14.713 26.065 1.00 1.00 C ATOM 1081 O ILE A 67 66.475 15.645 25.276 1.00 1.00 O ATOM 1082 CB ILE A 67 67.939 14.335 27.859 1.00 1.00 C ATOM 1083 CG1 ILE A 67 68.676 15.685 27.780 1.00 1.00 C ATOM 1084 CG2 ILE A 67 68.819 13.240 28.489 1.00 1.00 C ATOM 1085 CD1 ILE A 67 68.921 16.331 29.142 1.00 1.00 C ATOM 0 H ILE A 67 68.863 14.912 25.371 1.00 1.00 H new ATOM 0 HA ILE A 67 67.224 12.822 26.603 1.00 1.00 H new ATOM 0 HB ILE A 67 67.068 14.498 28.494 1.00 1.00 H new ATOM 0 HG12 ILE A 67 69.633 15.538 27.280 1.00 1.00 H new ATOM 0 HG13 ILE A 67 68.096 16.370 27.162 1.00 1.00 H new ATOM 0 HG21 ILE A 67 69.153 13.564 29.475 1.00 1.00 H new ATOM 0 HG22 ILE A 67 68.242 12.320 28.585 1.00 1.00 H new ATOM 0 HG23 ILE A 67 69.686 13.060 27.854 1.00 1.00 H new ATOM 0 HD11 ILE A 67 69.444 17.278 29.007 1.00 1.00 H new ATOM 0 HD12 ILE A 67 67.966 16.511 29.636 1.00 1.00 H new ATOM 0 HD13 ILE A 67 69.528 15.666 29.756 1.00 1.00 H new ATOM 1097 N ASN A 68 65.107 14.404 26.547 1.00 1.00 N ATOM 1098 CA ASN A 68 63.929 15.098 26.111 1.00 1.00 C ATOM 1099 C ASN A 68 63.492 16.076 27.156 1.00 1.00 C ATOM 1100 O ASN A 68 63.824 15.938 28.330 1.00 1.00 O ATOM 1101 CB ASN A 68 62.756 14.133 25.857 1.00 1.00 C ATOM 1102 CG ASN A 68 63.147 13.047 24.865 1.00 1.00 C ATOM 1103 OD1 ASN A 68 63.328 13.289 23.672 1.00 1.00 O ATOM 1104 ND2 ASN A 68 63.249 11.789 25.364 1.00 1.00 N ATOM 0 H ASN A 68 64.936 13.674 27.239 1.00 1.00 H new ATOM 0 HA ASN A 68 64.188 15.605 25.181 1.00 1.00 H new ATOM 0 HB2 ASN A 68 62.446 13.677 26.797 1.00 1.00 H new ATOM 0 HB3 ASN A 68 61.900 14.689 25.474 1.00 1.00 H new ATOM 0 HD21 ASN A 68 63.482 11.012 24.745 1.00 1.00 H new ATOM 0 HD22 ASN A 68 63.093 11.620 26.358 1.00 1.00 H new ATOM 1111 N GLU A 69 62.675 17.088 26.812 1.00 1.00 N ATOM 1112 CA GLU A 69 62.111 18.003 27.766 1.00 1.00 C ATOM 1113 C GLU A 69 61.196 17.360 28.760 1.00 1.00 C ATOM 1114 O GLU A 69 61.078 17.808 29.900 1.00 1.00 O ATOM 1115 CB GLU A 69 61.391 19.161 27.051 1.00 1.00 C ATOM 1116 CG GLU A 69 62.367 20.272 26.648 1.00 1.00 C ATOM 1117 CD GLU A 69 61.719 21.251 25.683 1.00 1.00 C ATOM 1118 OE1 GLU A 69 60.752 21.956 26.081 1.00 1.00 O ATOM 1119 OE2 GLU A 69 62.150 21.308 24.502 1.00 1.00 O ATOM 0 H GLU A 69 62.398 17.278 25.849 1.00 1.00 H new ATOM 0 HA GLU A 69 62.956 18.390 28.336 1.00 1.00 H new ATOM 0 HB2 GLU A 69 60.884 18.782 26.163 1.00 1.00 H new ATOM 0 HB3 GLU A 69 60.622 19.572 27.706 1.00 1.00 H new ATOM 0 HG2 GLU A 69 62.704 20.804 27.538 1.00 1.00 H new ATOM 0 HG3 GLU A 69 63.251 19.833 26.185 1.00 1.00 H new ATOM 1126 N THR A 70 60.541 16.248 28.382 1.00 1.00 N ATOM 1127 CA THR A 70 59.630 15.527 29.228 1.00 1.00 C ATOM 1128 C THR A 70 60.315 14.431 29.986 1.00 1.00 C ATOM 1129 O THR A 70 59.707 13.763 30.823 1.00 1.00 O ATOM 1130 CB THR A 70 58.472 14.983 28.431 1.00 1.00 C ATOM 1131 OG1 THR A 70 57.960 16.007 27.590 1.00 1.00 O ATOM 1132 CG2 THR A 70 57.279 14.569 29.307 1.00 1.00 C ATOM 0 H THR A 70 60.646 15.833 27.456 1.00 1.00 H new ATOM 0 HA THR A 70 59.243 16.235 29.961 1.00 1.00 H new ATOM 0 HB THR A 70 58.863 14.120 27.893 1.00 1.00 H new ATOM 0 HG1 THR A 70 57.208 15.657 27.069 1.00 1.00 H new ATOM 0 HG21 THR A 70 56.479 14.186 28.674 1.00 1.00 H new ATOM 0 HG22 THR A 70 57.592 13.793 30.005 1.00 1.00 H new ATOM 0 HG23 THR A 70 56.919 15.434 29.864 1.00 1.00 H new ATOM 1140 N ASP A 71 61.637 14.232 29.811 1.00 1.00 N ATOM 1141 CA ASP A 71 62.415 13.263 30.530 1.00 1.00 C ATOM 1142 C ASP A 71 62.565 13.578 31.987 1.00 1.00 C ATOM 1143 O ASP A 71 62.099 14.600 32.489 1.00 1.00 O ATOM 1144 CB ASP A 71 63.802 13.051 29.892 1.00 1.00 C ATOM 1145 CG ASP A 71 63.781 12.158 28.664 1.00 1.00 C ATOM 1146 OD1 ASP A 71 62.736 11.553 28.306 1.00 1.00 O ATOM 1147 OD2 ASP A 71 64.872 12.015 28.052 1.00 1.00 O ATOM 0 H ASP A 71 62.188 14.768 29.141 1.00 1.00 H new ATOM 0 HA ASP A 71 61.847 12.336 30.458 1.00 1.00 H new ATOM 0 HB2 ASP A 71 64.218 14.021 29.618 1.00 1.00 H new ATOM 0 HB3 ASP A 71 64.471 12.616 30.635 1.00 1.00 H new ATOM 1152 N THR A 72 63.184 12.666 32.757 1.00 1.00 N ATOM 1153 CA THR A 72 62.968 12.605 34.177 1.00 1.00 C ATOM 1154 C THR A 72 64.179 13.020 34.955 1.00 1.00 C ATOM 1155 O THR A 72 65.299 12.808 34.490 1.00 1.00 O ATOM 1156 CB THR A 72 62.468 11.278 34.691 1.00 1.00 C ATOM 1157 OG1 THR A 72 63.455 10.258 34.718 1.00 1.00 O ATOM 1158 CG2 THR A 72 61.336 10.765 33.787 1.00 1.00 C ATOM 0 H THR A 72 63.836 11.968 32.400 1.00 1.00 H new ATOM 0 HA THR A 72 62.164 13.323 34.341 1.00 1.00 H new ATOM 0 HB THR A 72 62.142 11.472 35.713 1.00 1.00 H new ATOM 0 HG1 THR A 72 63.060 9.430 35.063 1.00 1.00 H new ATOM 0 HG21 THR A 72 60.977 9.806 34.162 1.00 1.00 H new ATOM 0 HG22 THR A 72 60.517 11.484 33.787 1.00 1.00 H new ATOM 0 HG23 THR A 72 61.710 10.641 32.771 1.00 1.00 H new ATOM 1166 N PRO A 73 64.058 13.574 36.136 1.00 1.00 N ATOM 1167 CA PRO A 73 65.179 13.811 37.009 1.00 1.00 C ATOM 1168 C PRO A 73 65.974 12.600 37.383 1.00 1.00 C ATOM 1169 O PRO A 73 67.183 12.724 37.567 1.00 1.00 O ATOM 1170 CB PRO A 73 64.569 14.480 38.242 1.00 1.00 C ATOM 1171 CG PRO A 73 63.376 15.256 37.669 1.00 1.00 C ATOM 1172 CD PRO A 73 62.875 14.304 36.576 1.00 1.00 C ATOM 0 HA PRO A 73 65.918 14.425 36.494 1.00 1.00 H new ATOM 0 HB2 PRO A 73 64.253 13.746 38.983 1.00 1.00 H new ATOM 0 HB3 PRO A 73 65.281 15.143 38.734 1.00 1.00 H new ATOM 0 HG2 PRO A 73 62.614 15.449 38.424 1.00 1.00 H new ATOM 0 HG3 PRO A 73 63.674 16.223 37.263 1.00 1.00 H new ATOM 0 HD2 PRO A 73 62.114 13.626 36.962 1.00 1.00 H new ATOM 0 HD3 PRO A 73 62.422 14.854 35.751 1.00 1.00 H new ATOM 1180 N ALA A 74 65.344 11.417 37.511 1.00 1.00 N ATOM 1181 CA ALA A 74 66.001 10.177 37.806 1.00 1.00 C ATOM 1182 C ALA A 74 66.922 9.706 36.725 1.00 1.00 C ATOM 1183 O ALA A 74 68.056 9.294 36.965 1.00 1.00 O ATOM 1184 CB ALA A 74 64.940 9.075 37.977 1.00 1.00 C ATOM 0 H ALA A 74 64.334 11.319 37.405 1.00 1.00 H new ATOM 0 HA ALA A 74 66.587 10.360 38.707 1.00 1.00 H new ATOM 0 HB1 ALA A 74 65.432 8.128 38.202 1.00 1.00 H new ATOM 0 HB2 ALA A 74 64.270 9.339 38.795 1.00 1.00 H new ATOM 0 HB3 ALA A 74 64.366 8.976 37.055 1.00 1.00 H new ATOM 1190 N GLN A 75 66.441 9.775 35.472 1.00 1.00 N ATOM 1191 CA GLN A 75 67.122 9.339 34.288 1.00 1.00 C ATOM 1192 C GLN A 75 68.336 10.148 33.964 1.00 1.00 C ATOM 1193 O GLN A 75 69.315 9.632 33.428 1.00 1.00 O ATOM 1194 CB GLN A 75 66.157 9.394 33.090 1.00 1.00 C ATOM 1195 CG GLN A 75 65.267 8.152 32.960 1.00 1.00 C ATOM 1196 CD GLN A 75 64.348 8.258 31.748 1.00 1.00 C ATOM 1197 OE1 GLN A 75 64.213 9.298 31.103 1.00 1.00 O ATOM 1198 NE2 GLN A 75 63.686 7.120 31.415 1.00 1.00 N ATOM 0 H GLN A 75 65.518 10.159 35.271 1.00 1.00 H new ATOM 0 HA GLN A 75 67.457 8.320 34.484 1.00 1.00 H new ATOM 0 HB2 GLN A 75 65.524 10.276 33.185 1.00 1.00 H new ATOM 0 HB3 GLN A 75 66.735 9.514 32.174 1.00 1.00 H new ATOM 0 HG2 GLN A 75 65.890 7.262 32.871 1.00 1.00 H new ATOM 0 HG3 GLN A 75 64.669 8.033 33.864 1.00 1.00 H new ATOM 0 HE21 GLN A 75 63.818 6.273 31.968 1.00 1.00 H new ATOM 0 HE22 GLN A 75 63.057 7.112 30.612 1.00 1.00 H new ATOM 1207 N LEU A 76 68.277 11.458 34.263 1.00 1.00 N ATOM 1208 CA LEU A 76 69.318 12.419 34.044 1.00 1.00 C ATOM 1209 C LEU A 76 70.161 12.624 35.268 1.00 1.00 C ATOM 1210 O LEU A 76 71.195 13.291 35.253 1.00 1.00 O ATOM 1211 CB LEU A 76 68.570 13.695 33.609 1.00 1.00 C ATOM 1212 CG LEU A 76 69.381 14.983 33.388 1.00 1.00 C ATOM 1213 CD1 LEU A 76 70.516 14.792 32.372 1.00 1.00 C ATOM 1214 CD2 LEU A 76 68.430 16.093 32.915 1.00 1.00 C ATOM 0 H LEU A 76 67.447 11.875 34.686 1.00 1.00 H new ATOM 0 HA LEU A 76 70.033 12.095 33.288 1.00 1.00 H new ATOM 0 HB2 LEU A 76 68.045 13.471 32.681 1.00 1.00 H new ATOM 0 HB3 LEU A 76 67.811 13.907 34.362 1.00 1.00 H new ATOM 0 HG LEU A 76 69.847 15.257 34.334 1.00 1.00 H new ATOM 0 HD11 LEU A 76 71.058 15.730 32.252 1.00 1.00 H new ATOM 0 HD12 LEU A 76 71.199 14.022 32.730 1.00 1.00 H new ATOM 0 HD13 LEU A 76 70.098 14.489 31.412 1.00 1.00 H new ATOM 0 HD21 LEU A 76 68.994 17.012 32.755 1.00 1.00 H new ATOM 0 HD22 LEU A 76 67.955 15.792 31.981 1.00 1.00 H new ATOM 0 HD23 LEU A 76 67.665 16.264 33.673 1.00 1.00 H new ATOM 1226 N GLU A 77 69.775 11.989 36.390 1.00 1.00 N ATOM 1227 CA GLU A 77 70.453 11.962 37.656 1.00 1.00 C ATOM 1228 C GLU A 77 70.659 13.307 38.289 1.00 1.00 C ATOM 1229 O GLU A 77 71.740 13.642 38.774 1.00 1.00 O ATOM 1230 CB GLU A 77 71.748 11.122 37.605 1.00 1.00 C ATOM 1231 CG GLU A 77 71.575 9.706 37.033 1.00 1.00 C ATOM 1232 CD GLU A 77 72.867 8.902 37.058 1.00 1.00 C ATOM 1233 OE1 GLU A 77 73.338 8.521 38.163 1.00 1.00 O ATOM 1234 OE2 GLU A 77 73.450 8.636 35.974 1.00 1.00 O ATOM 0 H GLU A 77 68.912 11.446 36.414 1.00 1.00 H new ATOM 0 HA GLU A 77 69.763 11.454 38.330 1.00 1.00 H new ATOM 0 HB2 GLU A 77 72.486 11.654 37.004 1.00 1.00 H new ATOM 0 HB3 GLU A 77 72.154 11.044 38.614 1.00 1.00 H new ATOM 0 HG2 GLU A 77 70.812 9.178 37.605 1.00 1.00 H new ATOM 0 HG3 GLU A 77 71.214 9.774 36.007 1.00 1.00 H new ATOM 1241 N MET A 78 69.607 14.148 38.292 1.00 1.00 N ATOM 1242 CA MET A 78 69.588 15.490 38.801 1.00 1.00 C ATOM 1243 C MET A 78 69.775 15.647 40.278 1.00 1.00 C ATOM 1244 O MET A 78 69.156 14.948 41.081 1.00 1.00 O ATOM 1245 CB MET A 78 68.298 16.221 38.385 1.00 1.00 C ATOM 1246 CG MET A 78 68.239 16.542 36.886 1.00 1.00 C ATOM 1247 SD MET A 78 66.678 17.276 36.312 1.00 1.00 S ATOM 1248 CE MET A 78 66.565 18.676 37.465 1.00 1.00 C ATOM 0 H MET A 78 68.703 13.870 37.911 1.00 1.00 H new ATOM 0 HA MET A 78 70.470 15.938 38.344 1.00 1.00 H new ATOM 0 HB2 MET A 78 67.438 15.607 38.652 1.00 1.00 H new ATOM 0 HB3 MET A 78 68.215 17.148 38.952 1.00 1.00 H new ATOM 0 HG2 MET A 78 69.053 17.225 36.645 1.00 1.00 H new ATOM 0 HG3 MET A 78 68.417 15.623 36.327 1.00 1.00 H new ATOM 0 HE1 MET A 78 65.976 19.474 37.012 1.00 1.00 H new ATOM 0 HE2 MET A 78 66.085 18.350 38.388 1.00 1.00 H new ATOM 0 HE3 MET A 78 67.566 19.046 37.688 1.00 1.00 H new ATOM 1258 N GLU A 79 70.611 16.622 40.681 1.00 1.00 N ATOM 1259 CA GLU A 79 71.020 16.867 42.035 1.00 1.00 C ATOM 1260 C GLU A 79 71.303 18.329 42.189 1.00 1.00 C ATOM 1261 O GLU A 79 71.044 19.113 41.278 1.00 1.00 O ATOM 1262 CB GLU A 79 72.259 16.055 42.467 1.00 1.00 C ATOM 1263 CG GLU A 79 72.036 14.537 42.515 1.00 1.00 C ATOM 1264 CD GLU A 79 73.117 13.805 43.293 1.00 1.00 C ATOM 1265 OE1 GLU A 79 74.318 13.874 42.917 1.00 1.00 O ATOM 1266 OE2 GLU A 79 72.770 13.099 44.276 1.00 1.00 O ATOM 0 H GLU A 79 71.028 17.280 40.023 1.00 1.00 H new ATOM 0 HA GLU A 79 70.204 16.544 42.682 1.00 1.00 H new ATOM 0 HB2 GLU A 79 73.077 16.268 41.778 1.00 1.00 H new ATOM 0 HB3 GLU A 79 72.576 16.395 43.453 1.00 1.00 H new ATOM 0 HG2 GLU A 79 71.066 14.331 42.969 1.00 1.00 H new ATOM 0 HG3 GLU A 79 72.001 14.148 41.498 1.00 1.00 H new ATOM 1273 N ASP A 80 71.826 18.755 43.355 1.00 1.00 N ATOM 1274 CA ASP A 80 72.047 20.106 43.788 1.00 1.00 C ATOM 1275 C ASP A 80 72.878 21.000 42.919 1.00 1.00 C ATOM 1276 O ASP A 80 72.716 22.219 42.956 1.00 1.00 O ATOM 1277 CB ASP A 80 72.492 20.145 45.262 1.00 1.00 C ATOM 1278 CG ASP A 80 73.858 19.515 45.469 1.00 1.00 C ATOM 1279 OD1 ASP A 80 74.019 18.298 45.188 1.00 1.00 O ATOM 1280 OD2 ASP A 80 74.802 20.236 45.890 1.00 1.00 O ATOM 0 H ASP A 80 72.124 18.086 44.065 1.00 1.00 H new ATOM 0 HA ASP A 80 71.063 20.561 43.680 1.00 1.00 H new ATOM 0 HB2 ASP A 80 72.516 21.179 45.605 1.00 1.00 H new ATOM 0 HB3 ASP A 80 71.757 19.623 45.875 1.00 1.00 H new ATOM 1285 N GLU A 81 73.794 20.421 42.125 1.00 1.00 N ATOM 1286 CA GLU A 81 74.486 21.083 41.058 1.00 1.00 C ATOM 1287 C GLU A 81 74.624 20.123 39.921 1.00 1.00 C ATOM 1288 O GLU A 81 75.666 19.484 39.778 1.00 1.00 O ATOM 1289 CB GLU A 81 75.907 21.546 41.430 1.00 1.00 C ATOM 1290 CG GLU A 81 75.946 22.701 42.437 1.00 1.00 C ATOM 1291 CD GLU A 81 77.391 23.021 42.768 1.00 1.00 C ATOM 1292 OE1 GLU A 81 78.083 22.130 43.329 1.00 1.00 O ATOM 1293 OE2 GLU A 81 77.884 24.130 42.436 1.00 1.00 O ATOM 0 H GLU A 81 74.067 19.444 42.230 1.00 1.00 H new ATOM 0 HA GLU A 81 73.900 21.968 40.810 1.00 1.00 H new ATOM 0 HB2 GLU A 81 76.457 20.700 41.842 1.00 1.00 H new ATOM 0 HB3 GLU A 81 76.427 21.852 40.522 1.00 1.00 H new ATOM 0 HG2 GLU A 81 75.452 23.579 42.021 1.00 1.00 H new ATOM 0 HG3 GLU A 81 75.404 22.429 43.343 1.00 1.00 H new ATOM 1300 N ASP A 82 73.600 19.968 39.061 1.00 1.00 N ATOM 1301 CA ASP A 82 73.746 19.122 37.906 1.00 1.00 C ATOM 1302 C ASP A 82 74.356 19.840 36.742 1.00 1.00 C ATOM 1303 O ASP A 82 74.325 21.067 36.659 1.00 1.00 O ATOM 1304 CB ASP A 82 72.437 18.446 37.448 1.00 1.00 C ATOM 1305 CG ASP A 82 72.656 17.042 36.903 1.00 1.00 C ATOM 1306 OD1 ASP A 82 73.784 16.486 36.983 1.00 1.00 O ATOM 1307 OD2 ASP A 82 71.691 16.434 36.375 1.00 1.00 O ATOM 0 H ASP A 82 72.688 20.415 39.157 1.00 1.00 H new ATOM 0 HA ASP A 82 74.423 18.337 38.245 1.00 1.00 H new ATOM 0 HB2 ASP A 82 71.744 18.400 38.288 1.00 1.00 H new ATOM 0 HB3 ASP A 82 71.966 19.059 36.680 1.00 1.00 H new ATOM 1312 N THR A 83 74.920 19.085 35.782 1.00 1.00 N ATOM 1313 CA THR A 83 75.441 19.598 34.544 1.00 1.00 C ATOM 1314 C THR A 83 74.850 18.846 33.394 1.00 1.00 C ATOM 1315 O THR A 83 74.865 17.618 33.343 1.00 1.00 O ATOM 1316 CB THR A 83 76.941 19.562 34.405 1.00 1.00 C ATOM 1317 OG1 THR A 83 77.551 20.418 35.360 1.00 1.00 O ATOM 1318 CG2 THR A 83 77.399 20.125 33.049 1.00 1.00 C ATOM 0 H THR A 83 75.019 18.074 35.868 1.00 1.00 H new ATOM 0 HA THR A 83 75.157 20.650 34.544 1.00 1.00 H new ATOM 0 HB THR A 83 77.223 18.516 34.528 1.00 1.00 H new ATOM 0 HG1 THR A 83 78.525 20.381 35.257 1.00 1.00 H new ATOM 0 HG21 THR A 83 78.486 20.082 32.986 1.00 1.00 H new ATOM 0 HG22 THR A 83 76.965 19.532 32.244 1.00 1.00 H new ATOM 0 HG23 THR A 83 77.070 21.160 32.955 1.00 1.00 H new ATOM 1326 N ILE A 84 74.297 19.587 32.421 1.00 1.00 N ATOM 1327 CA ILE A 84 73.683 19.164 31.196 1.00 1.00 C ATOM 1328 C ILE A 84 74.493 19.754 30.086 1.00 1.00 C ATOM 1329 O ILE A 84 74.971 20.881 30.203 1.00 1.00 O ATOM 1330 CB ILE A 84 72.236 19.571 31.084 1.00 1.00 C ATOM 1331 CG1 ILE A 84 71.403 18.998 32.246 1.00 1.00 C ATOM 1332 CG2 ILE A 84 71.650 19.142 29.725 1.00 1.00 C ATOM 1333 CD1 ILE A 84 69.957 19.499 32.245 1.00 1.00 C ATOM 0 H ILE A 84 74.278 20.604 32.503 1.00 1.00 H new ATOM 0 HA ILE A 84 73.672 18.075 31.153 1.00 1.00 H new ATOM 0 HB ILE A 84 72.190 20.658 31.147 1.00 1.00 H new ATOM 0 HG12 ILE A 84 71.405 17.910 32.186 1.00 1.00 H new ATOM 0 HG13 ILE A 84 71.875 19.266 33.191 1.00 1.00 H new ATOM 0 HG21 ILE A 84 70.605 19.446 29.667 1.00 1.00 H new ATOM 0 HG22 ILE A 84 72.211 19.617 28.920 1.00 1.00 H new ATOM 0 HG23 ILE A 84 71.719 18.059 29.625 1.00 1.00 H new ATOM 0 HD11 ILE A 84 69.420 19.061 33.086 1.00 1.00 H new ATOM 0 HD12 ILE A 84 69.948 20.585 32.334 1.00 1.00 H new ATOM 0 HD13 ILE A 84 69.472 19.208 31.313 1.00 1.00 H new ATOM 1345 N ASP A 85 74.740 19.041 28.971 1.00 1.00 N ATOM 1346 CA ASP A 85 75.604 19.536 27.937 1.00 1.00 C ATOM 1347 C ASP A 85 74.717 19.831 26.768 1.00 1.00 C ATOM 1348 O ASP A 85 73.692 19.187 26.552 1.00 1.00 O ATOM 1349 CB ASP A 85 76.606 18.480 27.427 1.00 1.00 C ATOM 1350 CG ASP A 85 77.624 18.026 28.459 1.00 1.00 C ATOM 1351 OD1 ASP A 85 78.389 18.872 28.993 1.00 1.00 O ATOM 1352 OD2 ASP A 85 77.719 16.788 28.681 1.00 1.00 O ATOM 0 H ASP A 85 74.342 18.121 28.783 1.00 1.00 H new ATOM 0 HA ASP A 85 76.160 20.385 28.336 1.00 1.00 H new ATOM 0 HB2 ASP A 85 76.050 17.610 27.076 1.00 1.00 H new ATOM 0 HB3 ASP A 85 77.137 18.887 26.567 1.00 1.00 H new ATOM 1357 N VAL A 86 75.044 20.881 25.995 1.00 1.00 N ATOM 1358 CA VAL A 86 74.221 21.412 24.947 1.00 1.00 C ATOM 1359 C VAL A 86 74.851 21.068 23.640 1.00 1.00 C ATOM 1360 O VAL A 86 76.071 21.087 23.481 1.00 1.00 O ATOM 1361 CB VAL A 86 73.966 22.894 25.064 1.00 1.00 C ATOM 1362 CG1 VAL A 86 74.483 23.774 23.909 1.00 1.00 C ATOM 1363 CG2 VAL A 86 72.454 23.122 25.223 1.00 1.00 C ATOM 0 H VAL A 86 75.924 21.386 26.104 1.00 1.00 H new ATOM 0 HA VAL A 86 73.234 20.957 25.029 1.00 1.00 H new ATOM 0 HB VAL A 86 74.542 23.211 25.934 1.00 1.00 H new ATOM 0 HG11 VAL A 86 74.239 24.817 24.109 1.00 1.00 H new ATOM 0 HG12 VAL A 86 75.564 23.664 23.824 1.00 1.00 H new ATOM 0 HG13 VAL A 86 74.012 23.464 22.976 1.00 1.00 H new ATOM 0 HG21 VAL A 86 72.254 24.190 25.309 1.00 1.00 H new ATOM 0 HG22 VAL A 86 71.933 22.724 24.352 1.00 1.00 H new ATOM 0 HG23 VAL A 86 72.102 22.614 26.121 1.00 1.00 H new ATOM 1373 N PHE A 87 74.014 20.694 22.659 1.00 1.00 N ATOM 1374 CA PHE A 87 74.476 20.477 21.320 1.00 1.00 C ATOM 1375 C PHE A 87 73.769 21.428 20.410 1.00 1.00 C ATOM 1376 O PHE A 87 72.562 21.656 20.484 1.00 1.00 O ATOM 1377 CB PHE A 87 74.268 19.013 20.896 1.00 1.00 C ATOM 1378 CG PHE A 87 75.247 18.580 19.853 1.00 1.00 C ATOM 1379 CD1 PHE A 87 76.458 18.022 20.223 1.00 1.00 C ATOM 1380 CD2 PHE A 87 74.949 18.708 18.508 1.00 1.00 C ATOM 1381 CE1 PHE A 87 77.351 17.576 19.266 1.00 1.00 C ATOM 1382 CE2 PHE A 87 75.840 18.272 17.544 1.00 1.00 C ATOM 1383 CZ PHE A 87 77.040 17.700 17.924 1.00 1.00 C ATOM 0 H PHE A 87 73.014 20.541 22.790 1.00 1.00 H new ATOM 0 HA PHE A 87 75.548 20.666 21.263 1.00 1.00 H new ATOM 0 HB2 PHE A 87 74.361 18.367 21.769 1.00 1.00 H new ATOM 0 HB3 PHE A 87 73.255 18.888 20.514 1.00 1.00 H new ATOM 0 HD1 PHE A 87 76.708 17.934 21.270 1.00 1.00 H new ATOM 0 HD2 PHE A 87 74.012 19.153 18.208 1.00 1.00 H new ATOM 0 HE1 PHE A 87 78.289 17.132 19.566 1.00 1.00 H new ATOM 0 HE2 PHE A 87 75.599 18.378 16.497 1.00 1.00 H new ATOM 0 HZ PHE A 87 77.734 17.350 17.174 1.00 1.00 H new ATOM 1393 N GLN A 88 74.565 22.037 19.514 1.00 1.00 N ATOM 1394 CA GLN A 88 74.155 23.066 18.606 1.00 1.00 C ATOM 1395 C GLN A 88 73.499 22.462 17.405 1.00 1.00 C ATOM 1396 O GLN A 88 74.090 21.661 16.682 1.00 1.00 O ATOM 1397 CB GLN A 88 75.388 23.893 18.192 1.00 1.00 C ATOM 1398 CG GLN A 88 75.178 24.962 17.113 1.00 1.00 C ATOM 1399 CD GLN A 88 74.174 26.023 17.542 1.00 1.00 C ATOM 1400 OE1 GLN A 88 74.355 26.711 18.546 1.00 1.00 O ATOM 1401 NE2 GLN A 88 73.089 26.186 16.742 1.00 1.00 N ATOM 0 H GLN A 88 75.552 21.798 19.417 1.00 1.00 H new ATOM 0 HA GLN A 88 73.432 23.720 19.094 1.00 1.00 H new ATOM 0 HB2 GLN A 88 75.782 24.383 19.082 1.00 1.00 H new ATOM 0 HB3 GLN A 88 76.156 23.204 17.841 1.00 1.00 H new ATOM 0 HG2 GLN A 88 76.132 25.438 16.885 1.00 1.00 H new ATOM 0 HG3 GLN A 88 74.832 24.486 16.195 1.00 1.00 H new ATOM 0 HE21 GLN A 88 72.971 25.598 15.917 1.00 1.00 H new ATOM 0 HE22 GLN A 88 72.392 26.897 16.966 1.00 1.00 H new ATOM 1410 N GLN A 89 72.228 22.824 17.154 1.00 1.00 N ATOM 1411 CA GLN A 89 71.487 22.336 16.029 1.00 1.00 C ATOM 1412 C GLN A 89 71.672 23.229 14.841 1.00 1.00 C ATOM 1413 O GLN A 89 72.708 23.876 14.693 1.00 1.00 O ATOM 1414 CB GLN A 89 70.000 22.183 16.397 1.00 1.00 C ATOM 1415 CG GLN A 89 69.756 21.373 17.676 1.00 1.00 C ATOM 1416 CD GLN A 89 70.283 19.949 17.560 1.00 1.00 C ATOM 1417 OE1 GLN A 89 69.811 19.158 16.743 1.00 1.00 O ATOM 1418 NE2 GLN A 89 71.282 19.579 18.402 1.00 1.00 N ATOM 0 H GLN A 89 71.703 23.469 17.744 1.00 1.00 H new ATOM 0 HA GLN A 89 71.869 21.352 15.758 1.00 1.00 H new ATOM 0 HB2 GLN A 89 69.562 23.174 16.517 1.00 1.00 H new ATOM 0 HB3 GLN A 89 69.479 21.702 15.569 1.00 1.00 H new ATOM 0 HG2 GLN A 89 70.238 21.870 18.517 1.00 1.00 H new ATOM 0 HG3 GLN A 89 68.688 21.348 17.891 1.00 1.00 H new ATOM 0 HE21 GLN A 89 71.659 20.250 19.072 1.00 1.00 H new ATOM 0 HE22 GLN A 89 71.655 18.630 18.365 1.00 1.00 H new ATOM 1481 N VAL B 966 72.285 32.931 38.610 1.00 1.00 N ATOM 1482 CA VAL B 966 71.536 33.177 37.411 1.00 1.00 C ATOM 1483 C VAL B 966 70.058 33.090 37.646 1.00 1.00 C ATOM 1484 O VAL B 966 69.416 34.024 38.124 1.00 1.00 O ATOM 1485 CB VAL B 966 71.865 32.211 36.305 1.00 1.00 C ATOM 1486 CG1 VAL B 966 71.173 32.580 34.982 1.00 1.00 C ATOM 1487 CG2 VAL B 966 73.326 31.933 35.928 1.00 1.00 C ATOM 0 HA VAL B 966 71.820 34.186 37.113 1.00 1.00 H new ATOM 0 HB VAL B 966 71.498 31.304 36.785 1.00 1.00 H new ATOM 0 HG11 VAL B 966 71.442 31.853 34.216 1.00 1.00 H new ATOM 0 HG12 VAL B 966 70.092 32.575 35.123 1.00 1.00 H new ATOM 0 HG13 VAL B 966 71.494 33.573 34.668 1.00 1.00 H new ATOM 0 HG21 VAL B 966 73.360 31.212 35.111 1.00 1.00 H new ATOM 0 HG22 VAL B 966 73.803 32.861 35.613 1.00 1.00 H new ATOM 0 HG23 VAL B 966 73.854 31.529 36.792 1.00 1.00 H new ATOM 1497 N ILE B 967 69.439 31.965 37.237 1.00 1.00 N ATOM 1498 CA ILE B 967 68.034 31.925 36.952 1.00 1.00 C ATOM 1499 C ILE B 967 67.240 31.445 38.126 1.00 1.00 C ATOM 1500 O ILE B 967 67.579 30.443 38.753 1.00 1.00 O ATOM 1501 CB ILE B 967 67.787 31.182 35.664 1.00 1.00 C ATOM 1502 CG1 ILE B 967 67.563 32.159 34.495 1.00 1.00 C ATOM 1503 CG2 ILE B 967 66.633 30.169 35.748 1.00 1.00 C ATOM 1504 CD1 ILE B 967 67.933 31.542 33.146 1.00 1.00 C ATOM 0 H ILE B 967 69.917 31.074 37.102 1.00 1.00 H new ATOM 0 HA ILE B 967 67.667 32.938 36.786 1.00 1.00 H new ATOM 0 HB ILE B 967 68.692 30.603 35.479 1.00 1.00 H new ATOM 0 HG12 ILE B 967 66.518 32.467 34.477 1.00 1.00 H new ATOM 0 HG13 ILE B 967 68.158 33.058 34.656 1.00 1.00 H new ATOM 0 HG21 ILE B 967 66.514 29.673 34.785 1.00 1.00 H new ATOM 0 HG22 ILE B 967 66.856 29.426 36.514 1.00 1.00 H new ATOM 0 HG23 ILE B 967 65.710 30.689 36.005 1.00 1.00 H new ATOM 0 HD11 ILE B 967 67.758 32.269 32.353 1.00 1.00 H new ATOM 0 HD12 ILE B 967 68.985 31.258 33.152 1.00 1.00 H new ATOM 0 HD13 ILE B 967 67.320 30.658 32.970 1.00 1.00 H new ATOM 1516 N ASP B 968 66.154 32.159 38.478 1.00 1.00 N ATOM 1517 CA ASP B 968 65.196 31.781 39.477 1.00 1.00 C ATOM 1518 C ASP B 968 63.979 31.243 38.786 1.00 1.00 C ATOM 1519 O ASP B 968 63.250 32.015 38.163 1.00 1.00 O ATOM 1520 CB ASP B 968 64.753 33.018 40.285 1.00 1.00 C ATOM 1521 CG ASP B 968 65.915 33.736 40.951 1.00 1.00 C ATOM 1522 OD1 ASP B 968 66.318 33.337 42.075 1.00 1.00 O ATOM 1523 OD2 ASP B 968 66.404 34.749 40.385 1.00 1.00 O ATOM 0 H ASP B 968 65.931 33.053 38.040 1.00 1.00 H new ATOM 0 HA ASP B 968 65.647 31.042 40.139 1.00 1.00 H new ATOM 0 HB2 ASP B 968 64.235 33.712 39.623 1.00 1.00 H new ATOM 0 HB3 ASP B 968 64.037 32.711 41.047 1.00 1.00 H new ATOM 1528 N LEU B 969 63.692 29.928 38.812 1.00 1.00 N ATOM 1529 CA LEU B 969 62.557 29.430 38.084 1.00 1.00 C ATOM 1530 C LEU B 969 61.403 29.007 38.933 1.00 1.00 C ATOM 1531 O LEU B 969 61.530 28.597 40.086 1.00 1.00 O ATOM 1532 CB LEU B 969 62.884 28.358 37.027 1.00 1.00 C ATOM 1533 CG LEU B 969 63.794 27.221 37.515 1.00 1.00 C ATOM 1534 CD1 LEU B 969 63.608 25.955 36.674 1.00 1.00 C ATOM 1535 CD2 LEU B 969 65.276 27.574 37.351 1.00 1.00 C ATOM 0 H LEU B 969 64.227 29.224 39.321 1.00 1.00 H new ATOM 0 HA LEU B 969 62.235 30.317 37.539 1.00 1.00 H new ATOM 0 HB2 LEU B 969 61.950 27.927 36.668 1.00 1.00 H new ATOM 0 HB3 LEU B 969 63.359 28.843 36.175 1.00 1.00 H new ATOM 0 HG LEU B 969 63.522 27.067 38.559 1.00 1.00 H new ATOM 0 HD11 LEU B 969 64.267 25.171 37.047 1.00 1.00 H new ATOM 0 HD12 LEU B 969 62.572 25.622 36.742 1.00 1.00 H new ATOM 0 HD13 LEU B 969 63.852 26.170 35.634 1.00 1.00 H new ATOM 0 HD21 LEU B 969 65.889 26.746 37.707 1.00 1.00 H new ATOM 0 HD22 LEU B 969 65.492 27.759 36.299 1.00 1.00 H new ATOM 0 HD23 LEU B 969 65.503 28.469 37.931 1.00 1.00 H new