USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 367 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 Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 157:sc= -0.208 (180deg=-0.869) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc=-0.00672 X(o=-0.0067,f=-0.38) USER MOD Single : A 50 LYS NZ :NH3+ -157:sc= -0.0353 (180deg=-0.315) USER MOD Single : A 54 GLN : amide:sc= -0.139 K(o=-0.14,f=-0.74) USER MOD Single : A 57 HIS : no HD1:sc= -0.927 X(o=-0.93,f=-0.97) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.473 F(o=-2,f=-0.47) USER MOD Single : A 77 GLN : amide:sc= -0.935 K(o=-0.94,f=-2.8!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -4.07! C(o=-4.1!,f=-5.4!) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 101 HIS : no HD1:sc= -0.285 X(o=-0.29,f=-0.0015) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.885 32.038 16.981 1.00 13.12 N ATOM 281 CA LYS A 23 -7.035 31.381 16.373 1.00 15.33 C ATOM 282 C LYS A 23 -6.686 30.843 14.989 1.00 12.31 C ATOM 283 O LYS A 23 -6.570 29.632 14.794 1.00 24.30 O ATOM 284 CB LYS A 23 -8.211 32.356 16.270 1.00 54.11 C ATOM 285 CG LYS A 23 -7.801 33.763 15.874 1.00 25.12 C ATOM 286 CD LYS A 23 -8.258 34.787 16.900 1.00 73.01 C ATOM 287 CE LYS A 23 -7.348 34.801 18.118 1.00 44.34 C ATOM 288 NZ LYS A 23 -7.734 35.863 19.087 1.00 60.21 N ATOM 0 HA LYS A 23 -7.320 30.543 17.009 1.00 15.33 H new ATOM 0 HB2 LYS A 23 -8.925 31.975 15.539 1.00 54.11 H new ATOM 0 HB3 LYS A 23 -8.726 32.393 17.230 1.00 54.11 H new ATOM 0 HG2 LYS A 23 -6.717 33.811 15.769 1.00 25.12 H new ATOM 0 HG3 LYS A 23 -8.227 34.007 14.901 1.00 25.12 H new ATOM 0 HD2 LYS A 23 -8.274 35.777 16.445 1.00 73.01 H new ATOM 0 HD3 LYS A 23 -9.279 34.562 17.210 1.00 73.01 H new ATOM 0 HE2 LYS A 23 -7.385 33.829 18.610 1.00 44.34 H new ATOM 0 HE3 LYS A 23 -6.317 34.957 17.799 1.00 44.34 H new ATOM 0 HZ1 LYS A 23 -7.090 35.839 19.903 1.00 60.21 H new ATOM 0 HZ2 LYS A 23 -7.674 36.793 18.625 1.00 60.21 H new ATOM 0 HZ3 LYS A 23 -8.709 35.700 19.411 1.00 60.21 H new ATOM 298 N SER A 24 -6.520 31.749 14.032 1.00 43.23 N ATOM 299 CA SER A 24 -6.185 31.364 12.665 1.00 22.24 C ATOM 300 C SER A 24 -5.152 30.241 12.654 1.00 5.55 C ATOM 301 O SER A 24 -5.127 29.415 11.742 1.00 13.51 O ATOM 302 CB SER A 24 -5.652 32.571 11.889 1.00 12.13 C ATOM 303 OG SER A 24 -6.325 32.719 10.651 1.00 45.44 O ATOM 0 H SER A 24 -6.612 32.754 14.177 1.00 43.23 H new ATOM 0 HA SER A 24 -7.093 31.003 12.182 1.00 22.24 H new ATOM 0 HB2 SER A 24 -5.778 33.475 12.485 1.00 12.13 H new ATOM 0 HB3 SER A 24 -4.583 32.451 11.713 1.00 12.13 H new ATOM 0 HG SER A 24 -5.968 33.498 10.175 1.00 45.44 H new ATOM 308 N TYR A 25 -4.302 30.218 13.673 1.00 24.12 N ATOM 309 CA TYR A 25 -3.264 29.200 13.781 1.00 14.11 C ATOM 310 C TYR A 25 -3.802 27.947 14.465 1.00 72.34 C ATOM 311 O TYR A 25 -3.746 26.850 13.910 1.00 22.13 O ATOM 312 CB TYR A 25 -2.064 29.744 14.556 1.00 71.23 C ATOM 313 CG TYR A 25 -1.412 30.940 13.902 1.00 4.23 C ATOM 314 CD1 TYR A 25 -2.114 32.125 13.719 1.00 22.13 C ATOM 315 CD2 TYR A 25 -0.094 30.886 13.464 1.00 75.11 C ATOM 316 CE1 TYR A 25 -1.523 33.221 13.121 1.00 1.21 C ATOM 317 CE2 TYR A 25 0.506 31.977 12.866 1.00 11.22 C ATOM 318 CZ TYR A 25 -0.213 33.142 12.696 1.00 23.44 C ATOM 319 OH TYR A 25 0.381 34.231 12.100 1.00 32.03 O ATOM 0 H TYR A 25 -4.311 30.893 14.437 1.00 24.12 H new ATOM 0 HA TYR A 25 -2.944 28.934 12.773 1.00 14.11 H new ATOM 0 HB2 TYR A 25 -2.386 30.020 15.560 1.00 71.23 H new ATOM 0 HB3 TYR A 25 -1.323 28.952 14.665 1.00 71.23 H new ATOM 0 HD1 TYR A 25 -3.140 32.190 14.050 1.00 22.13 H new ATOM 0 HD2 TYR A 25 0.471 29.975 13.594 1.00 75.11 H new ATOM 0 HE1 TYR A 25 -2.083 34.135 12.987 1.00 1.21 H new ATOM 0 HE2 TYR A 25 1.532 31.918 12.534 1.00 11.22 H new ATOM 0 HH TYR A 25 1.305 34.009 11.861 1.00 32.03 H new ATOM 328 N ALA A 26 -4.321 28.119 15.677 1.00 61.10 N ATOM 329 CA ALA A 26 -4.871 27.004 16.438 1.00 45.05 C ATOM 330 C ALA A 26 -6.184 26.520 15.833 1.00 53.24 C ATOM 331 O ALA A 26 -6.367 25.326 15.601 1.00 12.34 O ATOM 332 CB ALA A 26 -5.073 27.406 17.891 1.00 73.13 C ATOM 0 H ALA A 26 -4.372 29.020 16.152 1.00 61.10 H new ATOM 0 HA ALA A 26 -4.158 26.181 16.396 1.00 45.05 H new ATOM 0 HB1 ALA A 26 -5.484 26.564 18.448 1.00 73.13 H new ATOM 0 HB2 ALA A 26 -4.116 27.695 18.325 1.00 73.13 H new ATOM 0 HB3 ALA A 26 -5.764 28.247 17.943 1.00 73.13 H new ATOM 338 N GLU A 27 -7.094 27.456 15.580 1.00 51.25 N ATOM 339 CA GLU A 27 -8.390 27.123 15.003 1.00 15.34 C ATOM 340 C GLU A 27 -8.229 26.215 13.788 1.00 42.52 C ATOM 341 O GLU A 27 -8.786 25.119 13.741 1.00 43.50 O ATOM 342 CB GLU A 27 -9.139 28.397 14.605 1.00 53.55 C ATOM 343 CG GLU A 27 -10.575 28.149 14.173 1.00 22.21 C ATOM 344 CD GLU A 27 -11.585 28.692 15.167 1.00 43.02 C ATOM 345 OE1 GLU A 27 -11.667 29.930 15.311 1.00 15.03 O ATOM 346 OE2 GLU A 27 -12.290 27.879 15.799 1.00 0.44 O ATOM 0 H GLU A 27 -6.957 28.450 15.766 1.00 51.25 H new ATOM 0 HA GLU A 27 -8.968 26.591 15.758 1.00 15.34 H new ATOM 0 HB2 GLU A 27 -9.136 29.088 15.448 1.00 53.55 H new ATOM 0 HB3 GLU A 27 -8.603 28.885 13.791 1.00 53.55 H new ATOM 0 HG2 GLU A 27 -10.743 28.612 13.200 1.00 22.21 H new ATOM 0 HG3 GLU A 27 -10.733 27.078 14.048 1.00 22.21 H new ATOM 351 N GLN A 28 -7.462 26.681 12.806 1.00 52.15 N ATOM 352 CA GLN A 28 -7.227 25.911 11.590 1.00 31.05 C ATOM 353 C GLN A 28 -6.879 24.464 11.920 1.00 43.51 C ATOM 354 O GLN A 28 -7.324 23.538 11.243 1.00 52.13 O ATOM 355 CB GLN A 28 -6.102 26.545 10.769 1.00 32.10 C ATOM 356 CG GLN A 28 -6.591 27.282 9.533 1.00 22.43 C ATOM 357 CD GLN A 28 -5.556 27.316 8.426 1.00 21.24 C ATOM 358 OE1 GLN A 28 -4.457 27.841 8.605 1.00 44.32 O ATOM 359 NE2 GLN A 28 -5.904 26.756 7.274 1.00 63.02 N ATOM 0 H GLN A 28 -6.994 27.587 12.829 1.00 52.15 H new ATOM 0 HA GLN A 28 -8.145 25.919 11.002 1.00 31.05 H new ATOM 0 HB2 GLN A 28 -5.550 27.240 11.401 1.00 32.10 H new ATOM 0 HB3 GLN A 28 -5.403 25.766 10.464 1.00 32.10 H new ATOM 0 HG2 GLN A 28 -7.497 26.802 9.163 1.00 22.43 H new ATOM 0 HG3 GLN A 28 -6.859 28.303 9.806 1.00 22.43 H new ATOM 0 HE21 GLN A 28 -6.826 26.332 7.171 1.00 63.02 H new ATOM 0 HE22 GLN A 28 -5.249 26.749 6.492 1.00 63.02 H new ATOM 366 N GLY A 29 -6.079 24.276 12.965 1.00 63.24 N ATOM 367 CA GLY A 29 -5.684 22.939 13.366 1.00 71.15 C ATOM 368 C GLY A 29 -6.833 22.148 13.960 1.00 22.23 C ATOM 369 O GLY A 29 -7.085 21.010 13.563 1.00 24.12 O ATOM 0 H GLY A 29 -5.697 25.026 13.541 1.00 63.24 H new ATOM 0 HA2 GLY A 29 -5.289 22.406 12.501 1.00 71.15 H new ATOM 0 HA3 GLY A 29 -4.877 23.005 14.096 1.00 71.15 H new ATOM 372 N LYS A 30 -7.532 22.750 14.915 1.00 34.53 N ATOM 373 CA LYS A 30 -8.662 22.096 15.565 1.00 72.30 C ATOM 374 C LYS A 30 -9.753 21.760 14.554 1.00 62.00 C ATOM 375 O LYS A 30 -10.278 20.648 14.542 1.00 44.52 O ATOM 376 CB LYS A 30 -9.232 22.993 16.667 1.00 54.04 C ATOM 377 CG LYS A 30 -8.948 22.487 18.070 1.00 74.35 C ATOM 378 CD LYS A 30 -8.608 23.626 19.016 1.00 25.40 C ATOM 379 CE LYS A 30 -7.281 24.276 18.652 1.00 75.54 C ATOM 380 NZ LYS A 30 -6.509 24.677 19.861 1.00 32.02 N ATOM 0 H LYS A 30 -7.336 23.691 15.257 1.00 34.53 H new ATOM 0 HA LYS A 30 -8.305 21.167 16.009 1.00 72.30 H new ATOM 0 HB2 LYS A 30 -8.816 23.995 16.560 1.00 54.04 H new ATOM 0 HB3 LYS A 30 -10.310 23.079 16.532 1.00 54.04 H new ATOM 0 HG2 LYS A 30 -9.817 21.948 18.446 1.00 74.35 H new ATOM 0 HG3 LYS A 30 -8.121 21.778 18.041 1.00 74.35 H new ATOM 0 HD2 LYS A 30 -9.401 24.374 18.987 1.00 25.40 H new ATOM 0 HD3 LYS A 30 -8.562 23.250 20.038 1.00 25.40 H new ATOM 0 HE2 LYS A 30 -6.688 23.582 18.056 1.00 75.54 H new ATOM 0 HE3 LYS A 30 -7.464 25.153 18.031 1.00 75.54 H new ATOM 0 HZ1 LYS A 30 -5.499 24.745 19.621 1.00 32.02 H new ATOM 0 HZ2 LYS A 30 -6.848 25.601 20.199 1.00 32.02 H new ATOM 0 HZ3 LYS A 30 -6.640 23.966 20.608 1.00 32.02 H new ATOM 390 N GLU A 31 -10.087 22.729 13.707 1.00 11.11 N ATOM 391 CA GLU A 31 -11.115 22.534 12.692 1.00 24.32 C ATOM 392 C GLU A 31 -10.949 21.183 12.001 1.00 60.51 C ATOM 393 O GLU A 31 -11.928 20.559 11.592 1.00 4.43 O ATOM 394 CB GLU A 31 -11.060 23.659 11.655 1.00 71.24 C ATOM 395 CG GLU A 31 -11.277 25.041 12.245 1.00 32.25 C ATOM 396 CD GLU A 31 -12.583 25.669 11.795 1.00 63.32 C ATOM 397 OE1 GLU A 31 -13.652 25.118 12.131 1.00 61.32 O ATOM 398 OE2 GLU A 31 -12.535 26.710 11.107 1.00 74.34 O ATOM 0 H GLU A 31 -9.661 23.656 13.704 1.00 11.11 H new ATOM 0 HA GLU A 31 -12.086 22.553 13.187 1.00 24.32 H new ATOM 0 HB2 GLU A 31 -10.091 23.634 11.156 1.00 71.24 H new ATOM 0 HB3 GLU A 31 -11.817 23.476 10.892 1.00 71.24 H new ATOM 0 HG2 GLU A 31 -11.267 24.973 13.333 1.00 32.25 H new ATOM 0 HG3 GLU A 31 -10.449 25.689 11.958 1.00 32.25 H new ATOM 403 N TYR A 32 -9.704 20.738 11.878 1.00 42.32 N ATOM 404 CA TYR A 32 -9.409 19.463 11.235 1.00 73.34 C ATOM 405 C TYR A 32 -9.670 18.300 12.187 1.00 22.20 C ATOM 406 O TYR A 32 -10.098 17.224 11.767 1.00 72.42 O ATOM 407 CB TYR A 32 -7.955 19.432 10.761 1.00 41.42 C ATOM 408 CG TYR A 32 -7.509 18.075 10.265 1.00 65.24 C ATOM 409 CD1 TYR A 32 -7.294 17.026 11.150 1.00 64.32 C ATOM 410 CD2 TYR A 32 -7.300 17.842 8.912 1.00 1.52 C ATOM 411 CE1 TYR A 32 -6.885 15.784 10.702 1.00 24.25 C ATOM 412 CE2 TYR A 32 -6.894 16.604 8.453 1.00 70.34 C ATOM 413 CZ TYR A 32 -6.687 15.578 9.352 1.00 33.41 C ATOM 414 OH TYR A 32 -6.280 14.344 8.901 1.00 31.13 O ATOM 0 H TYR A 32 -8.883 21.241 12.215 1.00 42.32 H new ATOM 0 HA TYR A 32 -10.068 19.358 10.373 1.00 73.34 H new ATOM 0 HB2 TYR A 32 -7.826 20.162 9.962 1.00 41.42 H new ATOM 0 HB3 TYR A 32 -7.307 19.741 11.582 1.00 41.42 H new ATOM 0 HD1 TYR A 32 -7.449 17.184 12.207 1.00 64.32 H new ATOM 0 HD2 TYR A 32 -7.458 18.644 8.206 1.00 1.52 H new ATOM 0 HE1 TYR A 32 -6.721 14.980 11.404 1.00 24.25 H new ATOM 0 HE2 TYR A 32 -6.740 16.440 7.397 1.00 70.34 H new ATOM 0 HH TYR A 32 -6.188 14.366 7.926 1.00 31.13 H new ATOM 423 N ILE A 33 -9.409 18.525 13.471 1.00 0.32 N ATOM 424 CA ILE A 33 -9.618 17.497 14.483 1.00 2.14 C ATOM 425 C ILE A 33 -11.053 17.516 14.998 1.00 54.54 C ATOM 426 O ILE A 33 -11.778 16.526 14.886 1.00 64.11 O ATOM 427 CB ILE A 33 -8.655 17.676 15.672 1.00 13.32 C ATOM 428 CG1 ILE A 33 -7.249 17.205 15.293 1.00 30.42 C ATOM 429 CG2 ILE A 33 -9.166 16.912 16.886 1.00 4.11 C ATOM 430 CD1 ILE A 33 -6.521 18.160 14.374 1.00 5.51 C ATOM 0 H ILE A 33 -9.053 19.409 13.834 1.00 0.32 H new ATOM 0 HA ILE A 33 -9.419 16.538 14.005 1.00 2.14 H new ATOM 0 HB ILE A 33 -8.607 18.735 15.926 1.00 13.32 H new ATOM 0 HG12 ILE A 33 -6.662 17.069 16.202 1.00 30.42 H new ATOM 0 HG13 ILE A 33 -7.319 16.230 14.810 1.00 30.42 H new ATOM 0 HG21 ILE A 33 -8.475 17.048 17.718 1.00 4.11 H new ATOM 0 HG22 ILE A 33 -10.150 17.289 17.166 1.00 4.11 H new ATOM 0 HG23 ILE A 33 -9.239 15.852 16.644 1.00 4.11 H new ATOM 0 HD11 ILE A 33 -5.532 17.763 14.147 1.00 5.51 H new ATOM 0 HD12 ILE A 33 -7.086 18.277 13.449 1.00 5.51 H new ATOM 0 HD13 ILE A 33 -6.420 19.129 14.863 1.00 5.51 H new ATOM 441 N THR A 34 -11.459 18.649 15.561 1.00 33.41 N ATOM 442 CA THR A 34 -12.809 18.797 16.094 1.00 45.01 C ATOM 443 C THR A 34 -13.809 17.972 15.293 1.00 50.45 C ATOM 444 O THR A 34 -14.624 17.245 15.861 1.00 43.14 O ATOM 445 CB THR A 34 -13.256 20.271 16.088 1.00 24.31 C ATOM 446 OG1 THR A 34 -14.665 20.357 16.329 1.00 63.34 O ATOM 447 CG2 THR A 34 -12.922 20.933 14.759 1.00 72.01 C ATOM 0 H THR A 34 -10.873 19.478 15.660 1.00 33.41 H new ATOM 0 HA THR A 34 -12.785 18.436 17.122 1.00 45.01 H new ATOM 0 HB THR A 34 -12.720 20.793 16.881 1.00 24.31 H new ATOM 0 HG1 THR A 34 -14.941 21.297 16.325 1.00 63.34 H new ATOM 0 HG21 THR A 34 -13.247 21.973 14.779 1.00 72.01 H new ATOM 0 HG22 THR A 34 -11.846 20.892 14.593 1.00 72.01 H new ATOM 0 HG23 THR A 34 -13.434 20.408 13.952 1.00 72.01 H new ATOM 604 N PRO A 46 -9.807 -0.268 17.932 1.00 24.34 N ATOM 605 CA PRO A 46 -9.427 -1.030 19.125 1.00 24.21 C ATOM 606 C PRO A 46 -8.147 -1.832 18.917 1.00 32.14 C ATOM 607 O PRO A 46 -7.485 -2.220 19.878 1.00 53.34 O ATOM 608 CB PRO A 46 -10.618 -1.967 19.341 1.00 24.21 C ATOM 609 CG PRO A 46 -11.230 -2.118 17.992 1.00 10.13 C ATOM 610 CD PRO A 46 -11.020 -0.805 17.291 1.00 64.25 C ATOM 0 HA PRO A 46 -9.219 -0.380 19.975 1.00 24.21 H new ATOM 0 HB2 PRO A 46 -10.297 -2.929 19.740 1.00 24.21 H new ATOM 0 HB3 PRO A 46 -11.328 -1.547 20.053 1.00 24.21 H new ATOM 0 HG2 PRO A 46 -10.762 -2.934 17.441 1.00 10.13 H new ATOM 0 HG3 PRO A 46 -12.291 -2.353 18.069 1.00 10.13 H new ATOM 0 HD2 PRO A 46 -10.882 -0.939 16.218 1.00 64.25 H new ATOM 0 HD3 PRO A 46 -11.873 -0.139 17.422 1.00 64.25 H new ATOM 615 N GLU A 47 -7.806 -2.077 17.656 1.00 13.45 N ATOM 616 CA GLU A 47 -6.606 -2.834 17.323 1.00 54.22 C ATOM 617 C GLU A 47 -5.407 -1.906 17.151 1.00 51.42 C ATOM 618 O GLU A 47 -4.291 -2.357 16.893 1.00 30.32 O ATOM 619 CB GLU A 47 -6.825 -3.644 16.043 1.00 72.05 C ATOM 620 CG GLU A 47 -7.381 -2.825 14.892 1.00 64.03 C ATOM 621 CD GLU A 47 -6.964 -3.364 13.537 1.00 30.04 C ATOM 622 OE1 GLU A 47 -5.756 -3.611 13.342 1.00 64.44 O ATOM 623 OE2 GLU A 47 -7.847 -3.538 12.671 1.00 32.10 O ATOM 0 H GLU A 47 -8.344 -1.762 16.849 1.00 13.45 H new ATOM 0 HA GLU A 47 -6.399 -3.518 18.146 1.00 54.22 H new ATOM 0 HB2 GLU A 47 -5.877 -4.088 15.737 1.00 72.05 H new ATOM 0 HB3 GLU A 47 -7.508 -4.466 16.256 1.00 72.05 H new ATOM 0 HG2 GLU A 47 -8.469 -2.810 14.954 1.00 64.03 H new ATOM 0 HG3 GLU A 47 -7.042 -1.793 14.988 1.00 64.03 H new ATOM 628 N ASP A 48 -5.646 -0.608 17.295 1.00 30.23 N ATOM 629 CA ASP A 48 -4.587 0.385 17.157 1.00 1.34 C ATOM 630 C ASP A 48 -3.894 0.630 18.494 1.00 24.04 C ATOM 631 O ASP A 48 -3.146 1.595 18.648 1.00 33.11 O ATOM 632 CB ASP A 48 -5.157 1.698 16.615 1.00 53.35 C ATOM 633 CG ASP A 48 -5.327 1.676 15.108 1.00 62.20 C ATOM 634 OD1 ASP A 48 -4.920 0.678 14.479 1.00 3.10 O ATOM 635 OD2 ASP A 48 -5.867 2.660 14.559 1.00 54.53 O ATOM 0 H ASP A 48 -6.564 -0.218 17.507 1.00 30.23 H new ATOM 0 HA ASP A 48 -3.851 -0.001 16.452 1.00 1.34 H new ATOM 0 HB2 ASP A 48 -6.121 1.893 17.084 1.00 53.35 H new ATOM 0 HB3 ASP A 48 -4.496 2.519 16.891 1.00 53.35 H new ATOM 639 N ASN A 49 -4.150 -0.248 19.456 1.00 61.53 N ATOM 640 CA ASN A 49 -3.552 -0.126 20.781 1.00 63.32 C ATOM 641 C ASN A 49 -2.034 -0.258 20.707 1.00 74.35 C ATOM 642 O ASN A 49 -1.315 0.204 21.593 1.00 54.24 O ATOM 643 CB ASN A 49 -4.122 -1.190 21.721 1.00 71.31 C ATOM 644 CG ASN A 49 -3.534 -2.564 21.464 1.00 32.54 C ATOM 645 OD1 ASN A 49 -3.766 -3.164 20.415 1.00 13.41 O ATOM 646 ND2 ASN A 49 -2.769 -3.068 22.425 1.00 55.23 N ATOM 0 H ASN A 49 -4.767 -1.052 19.344 1.00 61.53 H new ATOM 0 HA ASN A 49 -3.795 0.862 21.172 1.00 63.32 H new ATOM 0 HB2 ASN A 49 -3.926 -0.901 22.754 1.00 71.31 H new ATOM 0 HB3 ASN A 49 -5.205 -1.233 21.602 1.00 71.31 H new ATOM 0 HD21 ASN A 49 -2.346 -3.989 22.310 1.00 55.23 H new ATOM 0 HD22 ASN A 49 -2.604 -2.534 23.278 1.00 55.23 H new ATOM 652 N LYS A 50 -1.552 -0.892 19.643 1.00 60.51 N ATOM 653 CA LYS A 50 -0.120 -1.084 19.450 1.00 42.23 C ATOM 654 C LYS A 50 0.467 0.023 18.581 1.00 32.45 C ATOM 655 O LYS A 50 1.671 0.272 18.603 1.00 34.42 O ATOM 656 CB LYS A 50 0.151 -2.447 18.808 1.00 32.42 C ATOM 657 CG LYS A 50 1.592 -2.636 18.367 1.00 11.52 C ATOM 658 CD LYS A 50 2.543 -2.633 19.552 1.00 13.50 C ATOM 659 CE LYS A 50 3.709 -3.585 19.333 1.00 43.51 C ATOM 660 NZ LYS A 50 3.271 -5.008 19.335 1.00 11.13 N ATOM 0 H LYS A 50 -2.133 -1.282 18.901 1.00 60.51 H new ATOM 0 HA LYS A 50 0.360 -1.047 20.428 1.00 42.23 H new ATOM 0 HB2 LYS A 50 -0.109 -3.232 19.518 1.00 32.42 H new ATOM 0 HB3 LYS A 50 -0.503 -2.569 17.945 1.00 32.42 H new ATOM 0 HG2 LYS A 50 1.687 -3.577 17.825 1.00 11.52 H new ATOM 0 HG3 LYS A 50 1.869 -1.841 17.675 1.00 11.52 H new ATOM 0 HD2 LYS A 50 2.921 -1.624 19.714 1.00 13.50 H new ATOM 0 HD3 LYS A 50 2.003 -2.919 20.454 1.00 13.50 H new ATOM 0 HE2 LYS A 50 4.192 -3.355 18.383 1.00 43.51 H new ATOM 0 HE3 LYS A 50 4.454 -3.433 20.114 1.00 43.51 H new ATOM 0 HZ1 LYS A 50 4.078 -5.619 19.573 1.00 11.13 H new ATOM 0 HZ2 LYS A 50 2.518 -5.138 20.040 1.00 11.13 H new ATOM 0 HZ3 LYS A 50 2.911 -5.262 18.393 1.00 11.13 H new ATOM 670 N GLY A 51 -0.395 0.689 17.817 1.00 73.40 N ATOM 671 CA GLY A 51 0.056 1.763 16.953 1.00 1.01 C ATOM 672 C GLY A 51 0.574 2.955 17.733 1.00 25.32 C ATOM 673 O GLY A 51 1.456 3.676 17.265 1.00 31.51 O ATOM 0 H GLY A 51 -1.397 0.503 17.782 1.00 73.40 H new ATOM 0 HA2 GLY A 51 0.844 1.391 16.297 1.00 1.01 H new ATOM 0 HA3 GLY A 51 -0.767 2.081 16.314 1.00 1.01 H new ATOM 676 N VAL A 52 0.024 3.166 18.925 1.00 12.52 N ATOM 677 CA VAL A 52 0.435 4.280 19.770 1.00 34.21 C ATOM 678 C VAL A 52 1.905 4.162 20.158 1.00 11.41 C ATOM 679 O VAL A 52 2.624 5.160 20.217 1.00 30.21 O ATOM 680 CB VAL A 52 -0.418 4.356 21.051 1.00 62.25 C ATOM 681 CG1 VAL A 52 -1.894 4.473 20.705 1.00 3.12 C ATOM 682 CG2 VAL A 52 -0.164 3.143 21.932 1.00 72.24 C ATOM 0 H VAL A 52 -0.707 2.580 19.327 1.00 12.52 H new ATOM 0 HA VAL A 52 0.288 5.190 19.189 1.00 34.21 H new ATOM 0 HB VAL A 52 -0.128 5.248 21.606 1.00 62.25 H new ATOM 0 HG11 VAL A 52 -2.480 4.525 21.623 1.00 3.12 H new ATOM 0 HG12 VAL A 52 -2.059 5.376 20.117 1.00 3.12 H new ATOM 0 HG13 VAL A 52 -2.202 3.602 20.127 1.00 3.12 H new ATOM 0 HG21 VAL A 52 -0.774 3.213 22.832 1.00 72.24 H new ATOM 0 HG22 VAL A 52 -0.425 2.236 21.386 1.00 72.24 H new ATOM 0 HG23 VAL A 52 0.889 3.109 22.210 1.00 72.24 H new ATOM 692 N PHE A 53 2.346 2.936 20.420 1.00 21.32 N ATOM 693 CA PHE A 53 3.731 2.687 20.802 1.00 31.32 C ATOM 694 C PHE A 53 4.628 2.599 19.570 1.00 14.13 C ATOM 695 O PHE A 53 5.849 2.510 19.685 1.00 75.01 O ATOM 696 CB PHE A 53 3.834 1.396 21.616 1.00 11.22 C ATOM 697 CG PHE A 53 3.384 1.548 23.041 1.00 2.45 C ATOM 698 CD1 PHE A 53 4.278 1.936 24.025 1.00 74.13 C ATOM 699 CD2 PHE A 53 2.066 1.303 23.395 1.00 62.42 C ATOM 700 CE1 PHE A 53 3.866 2.075 25.337 1.00 63.35 C ATOM 701 CE2 PHE A 53 1.650 1.442 24.706 1.00 14.22 C ATOM 702 CZ PHE A 53 2.550 1.829 25.678 1.00 3.42 C ATOM 0 H PHE A 53 1.764 2.099 20.375 1.00 21.32 H new ATOM 0 HA PHE A 53 4.068 3.522 21.416 1.00 31.32 H new ATOM 0 HB2 PHE A 53 3.234 0.624 21.134 1.00 11.22 H new ATOM 0 HB3 PHE A 53 4.868 1.050 21.605 1.00 11.22 H new ATOM 0 HD1 PHE A 53 5.308 2.132 23.765 1.00 74.13 H new ATOM 0 HD2 PHE A 53 1.357 1.000 22.639 1.00 62.42 H new ATOM 0 HE1 PHE A 53 4.573 2.376 26.096 1.00 63.35 H new ATOM 0 HE2 PHE A 53 0.621 1.248 24.970 1.00 14.22 H new ATOM 0 HZ PHE A 53 2.226 1.939 26.702 1.00 3.42 H new ATOM 711 N GLN A 54 4.010 2.623 18.394 1.00 1.31 N ATOM 712 CA GLN A 54 4.751 2.544 17.141 1.00 3.34 C ATOM 713 C GLN A 54 5.738 3.701 17.018 1.00 50.15 C ATOM 714 O GLN A 54 6.728 3.610 16.294 1.00 4.50 O ATOM 715 CB GLN A 54 3.788 2.551 15.952 1.00 62.13 C ATOM 716 CG GLN A 54 4.333 1.840 14.723 1.00 34.35 C ATOM 717 CD GLN A 54 5.078 2.773 13.790 1.00 14.13 C ATOM 718 OE1 GLN A 54 6.309 2.797 13.770 1.00 33.23 O ATOM 719 NE2 GLN A 54 4.333 3.549 13.010 1.00 72.45 N ATOM 0 H GLN A 54 2.999 2.696 18.283 1.00 1.31 H new ATOM 0 HA GLN A 54 5.312 1.610 17.139 1.00 3.34 H new ATOM 0 HB2 GLN A 54 2.852 2.078 16.250 1.00 62.13 H new ATOM 0 HB3 GLN A 54 3.554 3.583 15.691 1.00 62.13 H new ATOM 0 HG2 GLN A 54 5.001 1.039 15.038 1.00 34.35 H new ATOM 0 HG3 GLN A 54 3.509 1.374 14.183 1.00 34.35 H new ATOM 0 HE21 GLN A 54 3.316 3.496 13.060 1.00 72.45 H new ATOM 0 HE22 GLN A 54 4.779 4.198 12.361 1.00 72.45 H new ATOM 726 N GLY A 55 5.460 4.787 17.732 1.00 3.31 N ATOM 727 CA GLY A 55 6.333 5.946 17.689 1.00 3.22 C ATOM 728 C GLY A 55 7.399 5.910 18.765 1.00 10.41 C ATOM 729 O GLY A 55 8.574 6.158 18.494 1.00 73.10 O ATOM 0 H GLY A 55 4.646 4.885 18.339 1.00 3.31 H new ATOM 0 HA2 GLY A 55 6.811 6.001 16.711 1.00 3.22 H new ATOM 0 HA3 GLY A 55 5.736 6.851 17.804 1.00 3.22 H new ATOM 732 N VAL A 56 6.989 5.601 19.991 1.00 23.22 N ATOM 733 CA VAL A 56 7.918 5.535 21.113 1.00 54.42 C ATOM 734 C VAL A 56 8.880 4.361 20.961 1.00 72.52 C ATOM 735 O VAL A 56 10.057 4.461 21.306 1.00 72.45 O ATOM 736 CB VAL A 56 7.171 5.400 22.453 1.00 31.33 C ATOM 737 CG1 VAL A 56 6.316 6.632 22.713 1.00 52.30 C ATOM 738 CG2 VAL A 56 6.321 4.139 22.465 1.00 33.35 C ATOM 0 H VAL A 56 6.020 5.393 20.232 1.00 23.22 H new ATOM 0 HA VAL A 56 8.482 6.468 21.112 1.00 54.42 H new ATOM 0 HB VAL A 56 7.907 5.321 23.253 1.00 31.33 H new ATOM 0 HG11 VAL A 56 5.795 6.519 23.664 1.00 52.30 H new ATOM 0 HG12 VAL A 56 6.953 7.516 22.750 1.00 52.30 H new ATOM 0 HG13 VAL A 56 5.586 6.744 21.911 1.00 52.30 H new ATOM 0 HG21 VAL A 56 5.801 4.060 23.419 1.00 33.35 H new ATOM 0 HG22 VAL A 56 5.591 4.184 21.656 1.00 33.35 H new ATOM 0 HG23 VAL A 56 6.961 3.267 22.328 1.00 33.35 H new ATOM 748 N HIS A 57 8.370 3.249 20.442 1.00 3.51 N ATOM 749 CA HIS A 57 9.184 2.055 20.242 1.00 40.13 C ATOM 750 C HIS A 57 10.482 2.398 19.515 1.00 34.52 C ATOM 751 O HIS A 57 11.574 2.131 20.018 1.00 23.21 O ATOM 752 CB HIS A 57 8.404 1.006 19.449 1.00 2.10 C ATOM 753 CG HIS A 57 7.632 0.056 20.310 1.00 34.33 C ATOM 754 ND1 HIS A 57 7.378 0.287 21.646 1.00 2.44 N ATOM 755 CD2 HIS A 57 7.055 -1.134 20.019 1.00 33.31 C ATOM 756 CE1 HIS A 57 6.680 -0.720 22.140 1.00 42.34 C ATOM 757 NE2 HIS A 57 6.470 -1.596 21.174 1.00 2.23 N ATOM 0 H HIS A 57 7.397 3.150 20.152 1.00 3.51 H new ATOM 0 HA HIS A 57 9.433 1.647 21.222 1.00 40.13 H new ATOM 0 HB2 HIS A 57 7.715 1.512 18.773 1.00 2.10 H new ATOM 0 HB3 HIS A 57 9.100 0.439 18.830 1.00 2.10 H new ATOM 0 HD2 HIS A 57 7.055 -1.628 19.059 1.00 33.31 H new ATOM 0 HE1 HIS A 57 6.339 -0.811 23.161 1.00 42.34 H new ATOM 0 HE2 HIS A 57 5.957 -2.473 21.269 1.00 2.23 H new ATOM 764 N ASP A 58 10.354 2.988 18.333 1.00 23.44 N ATOM 765 CA ASP A 58 11.517 3.368 17.538 1.00 33.42 C ATOM 766 C ASP A 58 12.294 4.491 18.215 1.00 62.43 C ATOM 767 O ASP A 58 13.443 4.763 17.865 1.00 61.04 O ATOM 768 CB ASP A 58 11.083 3.802 16.137 1.00 0.02 C ATOM 769 CG ASP A 58 12.246 3.868 15.167 1.00 2.34 C ATOM 770 OD1 ASP A 58 12.916 2.833 14.973 1.00 63.03 O ATOM 771 OD2 ASP A 58 12.483 4.955 14.598 1.00 73.20 O ATOM 0 H ASP A 58 9.457 3.214 17.903 1.00 23.44 H new ATOM 0 HA ASP A 58 12.170 2.499 17.454 1.00 33.42 H new ATOM 0 HB2 ASP A 58 10.336 3.104 15.758 1.00 0.02 H new ATOM 0 HB3 ASP A 58 10.605 4.780 16.194 1.00 0.02 H new ATOM 775 N SER A 59 11.660 5.142 19.185 1.00 63.45 N ATOM 776 CA SER A 59 12.292 6.240 19.909 1.00 1.21 C ATOM 777 C SER A 59 13.133 5.715 21.067 1.00 72.12 C ATOM 778 O SER A 59 14.079 6.368 21.508 1.00 61.23 O ATOM 779 CB SER A 59 11.230 7.210 20.433 1.00 62.13 C ATOM 780 OG SER A 59 11.829 8.359 21.008 1.00 45.54 O ATOM 0 H SER A 59 10.710 4.929 19.488 1.00 63.45 H new ATOM 0 HA SER A 59 12.948 6.769 19.218 1.00 1.21 H new ATOM 0 HB2 SER A 59 10.572 7.509 19.617 1.00 62.13 H new ATOM 0 HB3 SER A 59 10.610 6.709 21.176 1.00 62.13 H new ATOM 0 HG SER A 59 11.130 8.964 21.334 1.00 45.54 H new ATOM 785 N ALA A 60 12.782 4.530 21.556 1.00 60.32 N ATOM 786 CA ALA A 60 13.506 3.915 22.663 1.00 11.42 C ATOM 787 C ALA A 60 14.730 3.156 22.163 1.00 22.42 C ATOM 788 O ALA A 60 15.433 2.515 22.942 1.00 65.13 O ATOM 789 CB ALA A 60 12.587 2.985 23.442 1.00 10.32 C ATOM 0 H ALA A 60 12.001 3.977 21.203 1.00 60.32 H new ATOM 0 HA ALA A 60 13.849 4.708 23.327 1.00 11.42 H new ATOM 0 HB1 ALA A 60 13.140 2.533 24.265 1.00 10.32 H new ATOM 0 HB2 ALA A 60 11.746 3.553 23.839 1.00 10.32 H new ATOM 0 HB3 ALA A 60 12.216 2.202 22.781 1.00 10.32 H new ATOM 795 N GLU A 61 14.977 3.233 20.859 1.00 42.41 N ATOM 796 CA GLU A 61 16.117 2.551 20.257 1.00 12.13 C ATOM 797 C GLU A 61 17.404 2.872 21.010 1.00 22.34 C ATOM 798 O GLU A 61 18.295 2.032 21.127 1.00 62.21 O ATOM 799 CB GLU A 61 16.260 2.951 18.787 1.00 1.53 C ATOM 800 CG GLU A 61 16.374 4.450 18.573 1.00 5.33 C ATOM 801 CD GLU A 61 16.272 4.840 17.111 1.00 3.24 C ATOM 802 OE1 GLU A 61 16.881 4.149 16.267 1.00 34.03 O ATOM 803 OE2 GLU A 61 15.583 5.838 16.809 1.00 62.52 O ATOM 0 H GLU A 61 14.404 3.760 20.200 1.00 42.41 H new ATOM 0 HA GLU A 61 15.939 1.477 20.319 1.00 12.13 H new ATOM 0 HB2 GLU A 61 17.143 2.465 18.371 1.00 1.53 H new ATOM 0 HB3 GLU A 61 15.399 2.578 18.232 1.00 1.53 H new ATOM 0 HG2 GLU A 61 15.588 4.954 19.135 1.00 5.33 H new ATOM 0 HG3 GLU A 61 17.326 4.799 18.973 1.00 5.33 H new ATOM 808 N LYS A 62 17.493 4.096 21.520 1.00 70.21 N ATOM 809 CA LYS A 62 18.670 4.532 22.264 1.00 12.21 C ATOM 810 C LYS A 62 18.734 3.851 23.627 1.00 63.41 C ATOM 811 O LYS A 62 19.800 3.424 24.068 1.00 75.41 O ATOM 812 CB LYS A 62 18.654 6.052 22.440 1.00 35.22 C ATOM 813 CG LYS A 62 17.401 6.571 23.125 1.00 13.45 C ATOM 814 CD LYS A 62 16.959 7.903 22.543 1.00 10.21 C ATOM 815 CE LYS A 62 15.669 8.390 23.183 1.00 34.33 C ATOM 816 NZ LYS A 62 15.928 9.305 24.329 1.00 12.32 N ATOM 0 H LYS A 62 16.764 4.804 21.432 1.00 70.21 H new ATOM 0 HA LYS A 62 19.555 4.249 21.694 1.00 12.21 H new ATOM 0 HB2 LYS A 62 19.526 6.351 23.021 1.00 35.22 H new ATOM 0 HB3 LYS A 62 18.745 6.524 21.462 1.00 35.22 H new ATOM 0 HG2 LYS A 62 16.598 5.842 23.018 1.00 13.45 H new ATOM 0 HG3 LYS A 62 17.589 6.684 24.193 1.00 13.45 H new ATOM 0 HD2 LYS A 62 17.743 8.645 22.693 1.00 10.21 H new ATOM 0 HD3 LYS A 62 16.817 7.802 21.467 1.00 10.21 H new ATOM 0 HE2 LYS A 62 15.065 8.906 22.436 1.00 34.33 H new ATOM 0 HE3 LYS A 62 15.088 7.534 23.526 1.00 34.33 H new ATOM 0 HZ1 LYS A 62 15.023 9.614 24.738 1.00 12.32 H new ATOM 0 HZ2 LYS A 62 16.482 8.806 25.054 1.00 12.32 H new ATOM 0 HZ3 LYS A 62 16.460 10.135 23.997 1.00 12.32 H new ATOM 826 N GLY A 63 17.586 3.752 24.290 1.00 4.13 N ATOM 827 CA GLY A 63 17.534 3.121 25.595 1.00 54.21 C ATOM 828 C GLY A 63 17.456 1.610 25.506 1.00 53.12 C ATOM 829 O GLY A 63 17.429 0.920 26.526 1.00 62.22 O ATOM 0 H GLY A 63 16.690 4.098 23.946 1.00 4.13 H new ATOM 0 HA2 GLY A 63 18.418 3.403 26.167 1.00 54.21 H new ATOM 0 HA3 GLY A 63 16.668 3.495 26.142 1.00 54.21 H new ATOM 832 N LYS A 64 17.418 1.092 24.283 1.00 42.51 N ATOM 833 CA LYS A 64 17.342 -0.347 24.063 1.00 74.04 C ATOM 834 C LYS A 64 18.617 -0.865 23.405 1.00 14.11 C ATOM 835 O LYS A 64 18.608 -1.903 22.743 1.00 33.01 O ATOM 836 CB LYS A 64 16.131 -0.688 23.191 1.00 60.44 C ATOM 837 CG LYS A 64 15.121 -1.590 23.879 1.00 13.34 C ATOM 838 CD LYS A 64 13.921 -0.803 24.380 1.00 61.24 C ATOM 839 CE LYS A 64 13.149 -1.578 25.437 1.00 23.21 C ATOM 840 NZ LYS A 64 12.381 -0.673 26.337 1.00 11.02 N ATOM 0 H LYS A 64 17.439 1.648 23.428 1.00 42.51 H new ATOM 0 HA LYS A 64 17.231 -0.832 25.033 1.00 74.04 H new ATOM 0 HB2 LYS A 64 15.636 0.237 22.893 1.00 60.44 H new ATOM 0 HB3 LYS A 64 16.476 -1.173 22.278 1.00 60.44 H new ATOM 0 HG2 LYS A 64 14.787 -2.361 23.184 1.00 13.34 H new ATOM 0 HG3 LYS A 64 15.598 -2.100 24.716 1.00 13.34 H new ATOM 0 HD2 LYS A 64 14.256 0.147 24.796 1.00 61.24 H new ATOM 0 HD3 LYS A 64 13.262 -0.571 23.544 1.00 61.24 H new ATOM 0 HE2 LYS A 64 12.465 -2.273 24.950 1.00 23.21 H new ATOM 0 HE3 LYS A 64 13.843 -2.175 26.028 1.00 23.21 H new ATOM 0 HZ1 LYS A 64 11.869 -1.239 27.043 1.00 11.02 H new ATOM 0 HZ2 LYS A 64 13.036 -0.026 26.821 1.00 11.02 H new ATOM 0 HZ3 LYS A 64 11.701 -0.121 25.776 1.00 11.02 H new ATOM 850 N ASP A 65 19.711 -0.137 23.593 1.00 62.14 N ATOM 851 CA ASP A 65 20.995 -0.525 23.019 1.00 74.44 C ATOM 852 C ASP A 65 21.962 -0.981 24.109 1.00 25.53 C ATOM 853 O ASP A 65 23.162 -1.111 23.873 1.00 23.13 O ATOM 854 CB ASP A 65 21.603 0.641 22.238 1.00 33.34 C ATOM 855 CG ASP A 65 22.679 0.192 21.270 1.00 74.35 C ATOM 856 OD1 ASP A 65 22.684 -1.001 20.899 1.00 31.22 O ATOM 857 OD2 ASP A 65 23.516 1.033 20.883 1.00 43.13 O ATOM 0 H ASP A 65 19.736 0.725 24.138 1.00 62.14 H new ATOM 0 HA ASP A 65 20.823 -1.358 22.338 1.00 74.44 H new ATOM 0 HB2 ASP A 65 20.815 1.156 21.688 1.00 33.34 H new ATOM 0 HB3 ASP A 65 22.026 1.362 22.938 1.00 33.34 H new ATOM 861 N ASN A 66 21.429 -1.220 25.303 1.00 63.12 N ATOM 862 CA ASN A 66 22.245 -1.659 26.429 1.00 35.12 C ATOM 863 C ASN A 66 23.161 -2.808 26.022 1.00 44.24 C ATOM 864 O ASN A 66 24.217 -3.015 26.619 1.00 43.14 O ATOM 865 CB ASN A 66 21.351 -2.093 27.595 1.00 45.31 C ATOM 866 CG ASN A 66 19.962 -2.493 27.139 1.00 22.41 C ATOM 867 OD1 ASN A 66 19.894 -3.430 26.201 1.00 13.23 O flip ATOM 868 ND2 ASN A 66 18.962 -1.966 27.625 1.00 12.42 N flip ATOM 0 H ASN A 66 20.437 -1.117 25.515 1.00 63.12 H new ATOM 0 HA ASN A 66 22.864 -0.820 26.746 1.00 35.12 H new ATOM 0 HB2 ASN A 66 21.816 -2.932 28.113 1.00 45.31 H new ATOM 0 HB3 ASN A 66 21.274 -1.277 28.314 1.00 45.31 H new ATOM 0 HD21 ASN A 66 19.062 -1.250 28.344 1.00 12.42 H new ATOM 0 HD22 ASN A 66 18.033 -2.246 27.309 1.00 12.42 H new ATOM 874 N ALA A 67 22.750 -3.552 25.001 1.00 13.20 N ATOM 875 CA ALA A 67 23.535 -4.679 24.511 1.00 32.43 C ATOM 876 C ALA A 67 24.977 -4.265 24.237 1.00 54.42 C ATOM 877 O ALA A 67 25.896 -5.076 24.349 1.00 73.02 O ATOM 878 CB ALA A 67 22.901 -5.257 23.254 1.00 71.24 C ATOM 0 H ALA A 67 21.878 -3.395 24.497 1.00 13.20 H new ATOM 0 HA ALA A 67 23.546 -5.447 25.285 1.00 32.43 H new ATOM 0 HB1 ALA A 67 23.497 -6.098 22.899 1.00 71.24 H new ATOM 0 HB2 ALA A 67 21.891 -5.599 23.480 1.00 71.24 H new ATOM 0 HB3 ALA A 67 22.860 -4.489 22.481 1.00 71.24 H new ATOM 947 N LEU A 74 37.966 3.331 23.631 1.00 73.30 N ATOM 948 CA LEU A 74 38.917 4.375 23.265 1.00 1.04 C ATOM 949 C LEU A 74 38.679 4.848 21.834 1.00 30.43 C ATOM 950 O LEU A 74 39.072 5.954 21.463 1.00 43.31 O ATOM 951 CB LEU A 74 40.349 3.862 23.413 1.00 64.10 C ATOM 952 CG LEU A 74 40.710 3.261 24.772 1.00 73.14 C ATOM 953 CD1 LEU A 74 40.174 4.130 25.899 1.00 75.22 C ATOM 954 CD2 LEU A 74 40.172 1.842 24.888 1.00 24.32 C ATOM 0 HA LEU A 74 38.770 5.220 23.938 1.00 1.04 H new ATOM 0 HB2 LEU A 74 40.524 3.107 22.646 1.00 64.10 H new ATOM 0 HB3 LEU A 74 41.032 4.687 23.210 1.00 64.10 H new ATOM 0 HG LEU A 74 41.796 3.224 24.854 1.00 73.14 H new ATOM 0 HD11 LEU A 74 40.440 3.687 26.858 1.00 75.22 H new ATOM 0 HD12 LEU A 74 40.608 5.127 25.827 1.00 75.22 H new ATOM 0 HD13 LEU A 74 39.089 4.200 25.820 1.00 75.22 H new ATOM 0 HD21 LEU A 74 40.438 1.430 25.861 1.00 24.32 H new ATOM 0 HD22 LEU A 74 39.087 1.855 24.784 1.00 24.32 H new ATOM 0 HD23 LEU A 74 40.605 1.223 24.102 1.00 24.32 H new ATOM 965 N ALA A 75 38.032 4.005 21.037 1.00 24.33 N ATOM 966 CA ALA A 75 37.739 4.339 19.649 1.00 3.44 C ATOM 967 C ALA A 75 36.548 5.286 19.552 1.00 3.34 C ATOM 968 O ALA A 75 36.389 6.000 18.562 1.00 4.34 O ATOM 969 CB ALA A 75 37.477 3.074 18.845 1.00 42.00 C ATOM 0 H ALA A 75 37.701 3.085 21.329 1.00 24.33 H new ATOM 0 HA ALA A 75 38.609 4.847 19.232 1.00 3.44 H new ATOM 0 HB1 ALA A 75 37.260 3.339 17.810 1.00 42.00 H new ATOM 0 HB2 ALA A 75 38.358 2.433 18.878 1.00 42.00 H new ATOM 0 HB3 ALA A 75 36.625 2.543 19.270 1.00 42.00 H new ATOM 975 N ASP A 76 35.712 5.286 20.585 1.00 62.13 N ATOM 976 CA ASP A 76 34.535 6.145 20.616 1.00 21.45 C ATOM 977 C ASP A 76 34.937 7.614 20.715 1.00 30.24 C ATOM 978 O ASP A 76 34.309 8.480 20.106 1.00 64.21 O ATOM 979 CB ASP A 76 33.635 5.771 21.794 1.00 14.20 C ATOM 980 CG ASP A 76 32.622 6.852 22.117 1.00 54.43 C ATOM 981 OD1 ASP A 76 32.150 7.523 21.175 1.00 54.54 O ATOM 982 OD2 ASP A 76 32.303 7.029 23.312 1.00 15.21 O ATOM 0 H ASP A 76 35.828 4.700 21.412 1.00 62.13 H new ATOM 0 HA ASP A 76 33.984 5.998 19.687 1.00 21.45 H new ATOM 0 HB2 ASP A 76 33.111 4.843 21.566 1.00 14.20 H new ATOM 0 HB3 ASP A 76 34.252 5.581 22.672 1.00 14.20 H new ATOM 986 N GLN A 77 35.985 7.885 21.486 1.00 31.44 N ATOM 987 CA GLN A 77 36.468 9.249 21.665 1.00 44.00 C ATOM 988 C GLN A 77 37.436 9.634 20.551 1.00 72.44 C ATOM 989 O GLN A 77 37.397 10.753 20.041 1.00 43.30 O ATOM 990 CB GLN A 77 37.152 9.397 23.026 1.00 52.44 C ATOM 991 CG GLN A 77 36.545 8.520 24.110 1.00 4.50 C ATOM 992 CD GLN A 77 35.046 8.706 24.239 1.00 32.12 C ATOM 993 OE1 GLN A 77 34.482 9.672 23.724 1.00 0.01 O ATOM 994 NE2 GLN A 77 34.392 7.781 24.932 1.00 4.13 N ATOM 0 H GLN A 77 36.515 7.179 21.996 1.00 31.44 H new ATOM 0 HA GLN A 77 35.610 9.920 21.624 1.00 44.00 H new ATOM 0 HB2 GLN A 77 38.209 9.152 22.921 1.00 52.44 H new ATOM 0 HB3 GLN A 77 37.097 10.439 23.340 1.00 52.44 H new ATOM 0 HG2 GLN A 77 36.760 7.475 23.889 1.00 4.50 H new ATOM 0 HG3 GLN A 77 37.019 8.748 25.065 1.00 4.50 H new ATOM 0 HE21 GLN A 77 34.900 6.997 25.342 1.00 4.13 H new ATOM 0 HE22 GLN A 77 33.382 7.855 25.055 1.00 4.13 H new ATOM 1001 N ALA A 78 38.306 8.700 20.181 1.00 63.11 N ATOM 1002 CA ALA A 78 39.284 8.941 19.127 1.00 73.42 C ATOM 1003 C ALA A 78 38.654 9.682 17.953 1.00 12.01 C ATOM 1004 O ALA A 78 39.303 10.501 17.304 1.00 25.54 O ATOM 1005 CB ALA A 78 39.891 7.626 18.660 1.00 61.22 C ATOM 0 H ALA A 78 38.354 7.769 20.596 1.00 63.11 H new ATOM 0 HA ALA A 78 40.076 9.569 19.536 1.00 73.42 H new ATOM 0 HB1 ALA A 78 40.619 7.821 17.873 1.00 61.22 H new ATOM 0 HB2 ALA A 78 40.385 7.135 19.499 1.00 61.22 H new ATOM 0 HB3 ALA A 78 39.104 6.979 18.274 1.00 61.22 H new ATOM 1011 N ARG A 79 37.385 9.387 17.685 1.00 65.51 N ATOM 1012 CA ARG A 79 36.669 10.024 16.588 1.00 3.41 C ATOM 1013 C ARG A 79 36.271 11.451 16.954 1.00 51.40 C ATOM 1014 O ARG A 79 36.682 12.409 16.297 1.00 54.01 O ATOM 1015 CB ARG A 79 35.424 9.213 16.224 1.00 53.13 C ATOM 1016 CG ARG A 79 35.722 7.764 15.873 1.00 24.32 C ATOM 1017 CD ARG A 79 34.443 6.968 15.663 1.00 63.34 C ATOM 1018 NE ARG A 79 34.610 5.919 14.661 1.00 54.05 N ATOM 1019 CZ ARG A 79 33.792 4.880 14.541 1.00 55.11 C ATOM 1020 NH1 ARG A 79 32.753 4.752 15.356 1.00 71.23 N ATOM 1021 NH2 ARG A 79 34.010 3.965 13.604 1.00 22.43 N ATOM 0 H ARG A 79 36.833 8.711 18.213 1.00 65.51 H new ATOM 0 HA ARG A 79 37.335 10.061 15.726 1.00 3.41 H new ATOM 0 HB2 ARG A 79 34.726 9.239 17.061 1.00 53.13 H new ATOM 0 HB3 ARG A 79 34.926 9.688 15.379 1.00 53.13 H new ATOM 0 HG2 ARG A 79 36.329 7.725 14.969 1.00 24.32 H new ATOM 0 HG3 ARG A 79 36.309 7.308 16.671 1.00 24.32 H new ATOM 0 HD2 ARG A 79 34.135 6.521 16.608 1.00 63.34 H new ATOM 0 HD3 ARG A 79 33.644 7.641 15.353 1.00 63.34 H new ATOM 0 HE ARG A 79 35.399 5.988 14.018 1.00 54.05 H new ATOM 0 HH11 ARG A 79 32.581 5.453 16.077 1.00 71.23 H new ATOM 0 HH12 ARG A 79 32.126 3.953 15.262 1.00 71.23 H new ATOM 0 HH21 ARG A 79 34.807 4.059 12.975 1.00 22.43 H new ATOM 0 HH22 ARG A 79 33.380 3.168 13.514 1.00 22.43 H new ATOM 1032 N ASP A 80 35.469 11.585 18.004 1.00 50.21 N ATOM 1033 CA ASP A 80 35.016 12.895 18.458 1.00 12.43 C ATOM 1034 C ASP A 80 36.136 13.637 19.179 1.00 2.45 C ATOM 1035 O ASP A 80 36.467 14.771 18.830 1.00 23.12 O ATOM 1036 CB ASP A 80 33.806 12.746 19.383 1.00 64.50 C ATOM 1037 CG ASP A 80 33.289 14.083 19.878 1.00 64.31 C ATOM 1038 OD1 ASP A 80 33.912 14.658 20.795 1.00 41.11 O ATOM 1039 OD2 ASP A 80 32.262 14.554 19.348 1.00 21.03 O ATOM 0 H ASP A 80 35.119 10.803 18.557 1.00 50.21 H new ATOM 0 HA ASP A 80 34.725 13.476 17.583 1.00 12.43 H new ATOM 0 HB2 ASP A 80 33.009 12.225 18.853 1.00 64.50 H new ATOM 0 HB3 ASP A 80 34.079 12.126 20.237 1.00 64.50 H new ATOM 1043 N TYR A 81 36.714 12.993 20.185 1.00 54.13 N ATOM 1044 CA TYR A 81 37.794 13.594 20.958 1.00 34.40 C ATOM 1045 C TYR A 81 38.779 14.318 20.045 1.00 71.21 C ATOM 1046 O TYR A 81 38.924 15.538 20.113 1.00 51.43 O ATOM 1047 CB TYR A 81 38.526 12.523 21.770 1.00 3.44 C ATOM 1048 CG TYR A 81 39.248 13.070 22.981 1.00 2.31 C ATOM 1049 CD1 TYR A 81 38.625 13.970 23.837 1.00 44.35 C ATOM 1050 CD2 TYR A 81 40.552 12.686 23.269 1.00 2.12 C ATOM 1051 CE1 TYR A 81 39.281 14.473 24.944 1.00 74.14 C ATOM 1052 CE2 TYR A 81 41.215 13.183 24.375 1.00 0.53 C ATOM 1053 CZ TYR A 81 40.576 14.075 25.209 1.00 21.34 C ATOM 1054 OH TYR A 81 41.233 14.573 26.311 1.00 40.43 O ATOM 0 H TYR A 81 36.453 12.054 20.485 1.00 54.13 H new ATOM 0 HA TYR A 81 37.357 14.322 21.641 1.00 34.40 H new ATOM 0 HB2 TYR A 81 37.807 11.771 22.095 1.00 3.44 H new ATOM 0 HB3 TYR A 81 39.246 12.019 21.125 1.00 3.44 H new ATOM 0 HD1 TYR A 81 37.611 14.281 23.634 1.00 44.35 H new ATOM 0 HD2 TYR A 81 41.056 11.987 22.618 1.00 2.12 H new ATOM 0 HE1 TYR A 81 38.783 15.174 25.598 1.00 74.14 H new ATOM 0 HE2 TYR A 81 42.228 12.874 24.585 1.00 0.53 H new ATOM 0 HH TYR A 81 42.135 14.192 26.354 1.00 40.43 H new ATOM 1063 N MET A 82 39.454 13.556 19.191 1.00 13.30 N ATOM 1064 CA MET A 82 40.425 14.123 18.262 1.00 33.23 C ATOM 1065 C MET A 82 39.855 15.356 17.567 1.00 73.20 C ATOM 1066 O MET A 82 40.571 16.324 17.314 1.00 20.31 O ATOM 1067 CB MET A 82 40.837 13.081 17.221 1.00 13.14 C ATOM 1068 CG MET A 82 39.887 12.995 16.038 1.00 32.31 C ATOM 1069 SD MET A 82 40.447 11.832 14.780 1.00 44.00 S ATOM 1070 CE MET A 82 40.200 12.799 13.292 1.00 54.21 C ATOM 0 H MET A 82 39.347 12.544 19.123 1.00 13.30 H new ATOM 0 HA MET A 82 41.304 14.422 18.832 1.00 33.23 H new ATOM 0 HB2 MET A 82 41.837 13.319 16.857 1.00 13.14 H new ATOM 0 HB3 MET A 82 40.896 12.104 17.701 1.00 13.14 H new ATOM 0 HG2 MET A 82 38.900 12.695 16.391 1.00 32.31 H new ATOM 0 HG3 MET A 82 39.779 13.983 15.591 1.00 32.31 H new ATOM 0 HE1 MET A 82 40.502 12.214 12.423 1.00 54.21 H new ATOM 0 HE2 MET A 82 39.147 13.065 13.202 1.00 54.21 H new ATOM 0 HE3 MET A 82 40.801 13.707 13.344 1.00 54.21 H new ATOM 1078 N GLY A 83 38.562 15.313 17.260 1.00 72.32 N ATOM 1079 CA GLY A 83 37.919 16.432 16.597 1.00 61.43 C ATOM 1080 C GLY A 83 37.745 17.627 17.514 1.00 44.35 C ATOM 1081 O GLY A 83 38.243 18.715 17.226 1.00 2.23 O ATOM 0 H GLY A 83 37.948 14.523 17.459 1.00 72.32 H new ATOM 0 HA2 GLY A 83 38.511 16.726 15.730 1.00 61.43 H new ATOM 0 HA3 GLY A 83 36.944 16.118 16.225 1.00 61.43 H new ATOM 1084 N ALA A 84 37.037 17.425 18.619 1.00 10.04 N ATOM 1085 CA ALA A 84 36.799 18.495 19.580 1.00 72.24 C ATOM 1086 C ALA A 84 38.113 19.111 20.052 1.00 50.21 C ATOM 1087 O ALA A 84 38.135 20.228 20.568 1.00 31.25 O ATOM 1088 CB ALA A 84 36.004 17.971 20.767 1.00 71.32 C ATOM 0 H ALA A 84 36.618 16.530 18.872 1.00 10.04 H new ATOM 0 HA ALA A 84 36.220 19.274 19.084 1.00 72.24 H new ATOM 0 HB1 ALA A 84 35.834 18.781 21.477 1.00 71.32 H new ATOM 0 HB2 ALA A 84 35.046 17.584 20.421 1.00 71.32 H new ATOM 0 HB3 ALA A 84 36.563 17.172 21.255 1.00 71.32 H new ATOM 1094 N ALA A 85 39.205 18.375 19.871 1.00 20.34 N ATOM 1095 CA ALA A 85 40.522 18.851 20.276 1.00 31.31 C ATOM 1096 C ALA A 85 41.224 19.569 19.128 1.00 32.21 C ATOM 1097 O ALA A 85 41.328 20.796 19.122 1.00 44.21 O ATOM 1098 CB ALA A 85 41.371 17.690 20.774 1.00 24.13 C ATOM 0 H ALA A 85 39.204 17.447 19.447 1.00 20.34 H new ATOM 0 HA ALA A 85 40.390 19.566 21.088 1.00 31.31 H new ATOM 0 HB1 ALA A 85 42.352 18.059 21.073 1.00 24.13 H new ATOM 0 HB2 ALA A 85 40.883 17.223 21.629 1.00 24.13 H new ATOM 0 HB3 ALA A 85 41.487 16.956 19.977 1.00 24.13 H new ATOM 1104 N LYS A 86 41.704 18.798 18.160 1.00 11.21 N ATOM 1105 CA LYS A 86 42.396 19.360 17.006 1.00 12.54 C ATOM 1106 C LYS A 86 41.645 20.569 16.457 1.00 71.50 C ATOM 1107 O LYS A 86 42.253 21.501 15.932 1.00 3.35 O ATOM 1108 CB LYS A 86 42.547 18.301 15.910 1.00 21.30 C ATOM 1109 CG LYS A 86 41.274 18.059 15.119 1.00 52.42 C ATOM 1110 CD LYS A 86 41.211 18.936 13.880 1.00 74.43 C ATOM 1111 CE LYS A 86 40.596 18.195 12.703 1.00 63.40 C ATOM 1112 NZ LYS A 86 39.843 19.113 11.803 1.00 12.44 N ATOM 0 H LYS A 86 41.627 17.781 18.151 1.00 11.21 H new ATOM 0 HA LYS A 86 43.385 19.684 17.330 1.00 12.54 H new ATOM 0 HB2 LYS A 86 43.337 18.609 15.225 1.00 21.30 H new ATOM 0 HB3 LYS A 86 42.866 17.363 16.364 1.00 21.30 H new ATOM 0 HG2 LYS A 86 41.220 17.010 14.826 1.00 52.42 H new ATOM 0 HG3 LYS A 86 40.409 18.258 15.751 1.00 52.42 H new ATOM 0 HD2 LYS A 86 40.625 19.830 14.095 1.00 74.43 H new ATOM 0 HD3 LYS A 86 42.215 19.269 13.617 1.00 74.43 H new ATOM 0 HE2 LYS A 86 41.382 17.695 12.137 1.00 63.40 H new ATOM 0 HE3 LYS A 86 39.927 17.418 13.072 1.00 63.40 H new ATOM 0 HZ1 LYS A 86 39.439 18.570 11.013 1.00 12.44 H new ATOM 0 HZ2 LYS A 86 39.077 19.571 12.337 1.00 12.44 H new ATOM 0 HZ3 LYS A 86 40.487 19.839 11.430 1.00 12.44 H new ATOM 1122 N SER A 87 40.322 20.547 16.585 1.00 62.41 N ATOM 1123 CA SER A 87 39.489 21.642 16.101 1.00 64.12 C ATOM 1124 C SER A 87 39.444 22.781 17.114 1.00 72.43 C ATOM 1125 O SER A 87 39.940 23.878 16.857 1.00 72.23 O ATOM 1126 CB SER A 87 38.072 21.143 15.813 1.00 45.23 C ATOM 1127 OG SER A 87 37.508 21.821 14.703 1.00 70.05 O ATOM 0 H SER A 87 39.804 19.783 17.020 1.00 62.41 H new ATOM 0 HA SER A 87 39.929 22.019 15.178 1.00 64.12 H new ATOM 0 HB2 SER A 87 38.094 20.071 15.616 1.00 45.23 H new ATOM 0 HB3 SER A 87 37.445 21.293 16.692 1.00 45.23 H new ATOM 0 HG SER A 87 36.603 21.483 14.538 1.00 70.05 H new ATOM 1132 N LYS A 88 38.845 22.512 18.270 1.00 44.14 N ATOM 1133 CA LYS A 88 38.734 23.512 19.325 1.00 75.24 C ATOM 1134 C LYS A 88 40.107 23.856 19.895 1.00 13.50 C ATOM 1135 O LYS A 88 40.545 25.005 19.836 1.00 20.23 O ATOM 1136 CB LYS A 88 37.819 23.004 20.443 1.00 61.24 C ATOM 1137 CG LYS A 88 36.929 24.082 21.036 1.00 72.30 C ATOM 1138 CD LYS A 88 36.990 24.082 22.554 1.00 61.51 C ATOM 1139 CE LYS A 88 38.235 24.794 23.062 1.00 73.32 C ATOM 1140 NZ LYS A 88 38.821 24.109 24.248 1.00 33.34 N ATOM 0 H LYS A 88 38.429 21.609 18.499 1.00 44.14 H new ATOM 0 HA LYS A 88 38.303 24.415 18.892 1.00 75.24 H new ATOM 0 HB2 LYS A 88 37.193 22.202 20.053 1.00 61.24 H new ATOM 0 HB3 LYS A 88 38.432 22.574 21.235 1.00 61.24 H new ATOM 0 HG2 LYS A 88 37.236 25.057 20.659 1.00 72.30 H new ATOM 0 HG3 LYS A 88 35.900 23.925 20.712 1.00 72.30 H new ATOM 0 HD2 LYS A 88 36.102 24.570 22.955 1.00 61.51 H new ATOM 0 HD3 LYS A 88 36.982 23.055 22.920 1.00 61.51 H new ATOM 0 HE2 LYS A 88 38.978 24.840 22.265 1.00 73.32 H new ATOM 0 HE3 LYS A 88 37.984 25.822 23.324 1.00 73.32 H new ATOM 0 HZ1 LYS A 88 39.667 24.625 24.564 1.00 33.34 H new ATOM 0 HZ2 LYS A 88 38.121 24.087 25.017 1.00 33.34 H new ATOM 0 HZ3 LYS A 88 39.084 23.136 23.992 1.00 33.34 H new ATOM 1150 N LEU A 89 40.783 22.853 20.445 1.00 13.41 N ATOM 1151 CA LEU A 89 42.108 23.048 21.024 1.00 23.24 C ATOM 1152 C LEU A 89 42.984 23.893 20.104 1.00 52.52 C ATOM 1153 O LEU A 89 43.594 24.869 20.536 1.00 45.40 O ATOM 1154 CB LEU A 89 42.776 21.699 21.287 1.00 14.23 C ATOM 1155 CG LEU A 89 44.053 21.734 22.128 1.00 20.04 C ATOM 1156 CD1 LEU A 89 44.178 20.468 22.962 1.00 12.33 C ATOM 1157 CD2 LEU A 89 45.273 21.911 21.237 1.00 52.43 C ATOM 0 H LEU A 89 40.435 21.896 20.502 1.00 13.41 H new ATOM 0 HA LEU A 89 41.990 23.577 21.970 1.00 23.24 H new ATOM 0 HB2 LEU A 89 42.055 21.050 21.784 1.00 14.23 H new ATOM 0 HB3 LEU A 89 43.010 21.239 20.327 1.00 14.23 H new ATOM 0 HG LEU A 89 43.996 22.586 22.805 1.00 20.04 H new ATOM 0 HD11 LEU A 89 45.092 20.511 23.554 1.00 12.33 H new ATOM 0 HD12 LEU A 89 43.319 20.384 23.627 1.00 12.33 H new ATOM 0 HD13 LEU A 89 44.212 19.600 22.303 1.00 12.33 H new ATOM 0 HD21 LEU A 89 46.173 21.934 21.852 1.00 52.43 H new ATOM 0 HD22 LEU A 89 45.334 21.080 20.535 1.00 52.43 H new ATOM 0 HD23 LEU A 89 45.187 22.847 20.685 1.00 52.43 H new ATOM 1168 N ASN A 90 43.040 23.508 18.833 1.00 5.53 N ATOM 1169 CA ASN A 90 43.841 24.231 17.850 1.00 54.13 C ATOM 1170 C ASN A 90 43.195 25.568 17.499 1.00 71.14 C ATOM 1171 O ASN A 90 43.766 26.629 17.749 1.00 23.13 O ATOM 1172 CB ASN A 90 44.016 23.388 16.586 1.00 54.41 C ATOM 1173 CG ASN A 90 45.321 23.684 15.870 1.00 55.03 C ATOM 1174 OD1 ASN A 90 46.386 23.228 16.286 1.00 72.34 O ATOM 1175 ND2 ASN A 90 45.242 24.448 14.788 1.00 22.43 N ATOM 0 H ASN A 90 42.541 22.701 18.459 1.00 5.53 H new ATOM 0 HA ASN A 90 44.820 24.425 18.287 1.00 54.13 H new ATOM 0 HB2 ASN A 90 43.981 22.331 16.850 1.00 54.41 H new ATOM 0 HB3 ASN A 90 43.183 23.576 15.909 1.00 54.41 H new ATOM 0 HD21 ASN A 90 46.086 24.679 14.264 1.00 22.43 H new ATOM 0 HD22 ASN A 90 44.337 24.804 14.480 1.00 22.43 H new ATOM 1181 N ASP A 91 42.002 25.507 16.918 1.00 60.32 N ATOM 1182 CA ASP A 91 41.277 26.713 16.533 1.00 75.40 C ATOM 1183 C ASP A 91 41.122 27.656 17.723 1.00 42.30 C ATOM 1184 O ASP A 91 40.906 28.855 17.552 1.00 5.25 O ATOM 1185 CB ASP A 91 39.901 26.349 15.972 1.00 54.21 C ATOM 1186 CG ASP A 91 39.257 27.500 15.226 1.00 4.50 C ATOM 1187 OD1 ASP A 91 38.858 28.485 15.883 1.00 43.32 O ATOM 1188 OD2 ASP A 91 39.154 27.418 13.984 1.00 51.21 O ATOM 0 H ASP A 91 41.516 24.636 16.703 1.00 60.32 H new ATOM 0 HA ASP A 91 41.852 27.223 15.760 1.00 75.40 H new ATOM 0 HB2 ASP A 91 40.000 25.495 15.302 1.00 54.21 H new ATOM 0 HB3 ASP A 91 39.249 26.039 16.789 1.00 54.21 H new ATOM 1192 N ALA A 92 41.233 27.105 18.927 1.00 21.23 N ATOM 1193 CA ALA A 92 41.105 27.898 20.143 1.00 41.03 C ATOM 1194 C ALA A 92 42.470 28.363 20.641 1.00 1.40 C ATOM 1195 O ALA A 92 42.599 29.451 21.202 1.00 63.12 O ATOM 1196 CB ALA A 92 40.394 27.096 21.223 1.00 31.33 C ATOM 0 H ALA A 92 41.411 26.113 19.086 1.00 21.23 H new ATOM 0 HA ALA A 92 40.511 28.782 19.910 1.00 41.03 H new ATOM 0 HB1 ALA A 92 40.305 27.700 22.126 1.00 31.33 H new ATOM 0 HB2 ALA A 92 39.400 26.817 20.874 1.00 31.33 H new ATOM 0 HB3 ALA A 92 40.967 26.195 21.444 1.00 31.33 H new ATOM 1202 N VAL A 93 43.486 27.532 20.431 1.00 45.30 N ATOM 1203 CA VAL A 93 44.841 27.860 20.857 1.00 61.02 C ATOM 1204 C VAL A 93 45.711 28.257 19.669 1.00 31.11 C ATOM 1205 O VAL A 93 46.177 29.393 19.581 1.00 75.35 O ATOM 1206 CB VAL A 93 45.502 26.674 21.588 1.00 23.25 C ATOM 1207 CG1 VAL A 93 46.920 27.030 22.007 1.00 14.01 C ATOM 1208 CG2 VAL A 93 44.668 26.261 22.791 1.00 2.21 C ATOM 0 H VAL A 93 43.396 26.627 19.969 1.00 45.30 H new ATOM 0 HA VAL A 93 44.761 28.703 21.543 1.00 61.02 H new ATOM 0 HB VAL A 93 45.554 25.828 20.903 1.00 23.25 H new ATOM 0 HG11 VAL A 93 47.371 26.182 22.521 1.00 14.01 H new ATOM 0 HG12 VAL A 93 47.510 27.274 21.124 1.00 14.01 H new ATOM 0 HG13 VAL A 93 46.897 27.890 22.677 1.00 14.01 H new ATOM 0 HG21 VAL A 93 45.148 25.423 23.296 1.00 2.21 H new ATOM 0 HG22 VAL A 93 44.584 27.101 23.481 1.00 2.21 H new ATOM 0 HG23 VAL A 93 43.673 25.963 22.459 1.00 2.21 H new ATOM 1218 N GLU A 94 45.923 27.314 18.756 1.00 12.21 N ATOM 1219 CA GLU A 94 46.737 27.568 17.572 1.00 55.11 C ATOM 1220 C GLU A 94 46.245 28.806 16.829 1.00 52.14 C ATOM 1221 O GLU A 94 47.042 29.615 16.355 1.00 23.31 O ATOM 1222 CB GLU A 94 46.710 26.355 16.640 1.00 1.43 C ATOM 1223 CG GLU A 94 48.077 25.973 16.098 1.00 3.21 C ATOM 1224 CD GLU A 94 48.656 24.751 16.783 1.00 61.40 C ATOM 1225 OE1 GLU A 94 48.606 24.691 18.029 1.00 74.03 O ATOM 1226 OE2 GLU A 94 49.160 23.855 16.074 1.00 15.53 O ATOM 0 H GLU A 94 45.543 26.369 18.813 1.00 12.21 H new ATOM 0 HA GLU A 94 47.762 27.745 17.897 1.00 55.11 H new ATOM 0 HB2 GLU A 94 46.291 25.504 17.177 1.00 1.43 H new ATOM 0 HB3 GLU A 94 46.043 26.565 15.804 1.00 1.43 H new ATOM 0 HG2 GLU A 94 47.999 25.782 15.028 1.00 3.21 H new ATOM 0 HG3 GLU A 94 48.761 26.813 16.223 1.00 3.21 H new ATOM 1231 N TYR A 95 44.928 28.945 16.731 1.00 13.35 N ATOM 1232 CA TYR A 95 44.329 30.083 16.042 1.00 61.32 C ATOM 1233 C TYR A 95 44.356 31.328 16.923 1.00 15.44 C ATOM 1234 O TYR A 95 44.794 32.396 16.495 1.00 12.11 O ATOM 1235 CB TYR A 95 42.889 29.761 15.638 1.00 51.13 C ATOM 1236 CG TYR A 95 42.082 30.980 15.250 1.00 71.02 C ATOM 1237 CD1 TYR A 95 42.232 31.567 14.000 1.00 62.14 C ATOM 1238 CD2 TYR A 95 41.169 31.543 16.134 1.00 1.30 C ATOM 1239 CE1 TYR A 95 41.498 32.681 13.642 1.00 61.53 C ATOM 1240 CE2 TYR A 95 40.430 32.655 15.783 1.00 22.55 C ATOM 1241 CZ TYR A 95 40.598 33.222 14.537 1.00 54.10 C ATOM 1242 OH TYR A 95 39.863 34.330 14.182 1.00 74.25 O ATOM 0 H TYR A 95 44.255 28.285 17.119 1.00 13.35 H new ATOM 0 HA TYR A 95 44.915 30.282 15.145 1.00 61.32 H new ATOM 0 HB2 TYR A 95 42.903 29.063 14.801 1.00 51.13 H new ATOM 0 HB3 TYR A 95 42.393 29.255 16.466 1.00 51.13 H new ATOM 0 HD1 TYR A 95 42.934 31.145 13.296 1.00 62.14 H new ATOM 0 HD2 TYR A 95 41.036 31.103 17.111 1.00 1.30 H new ATOM 0 HE1 TYR A 95 41.628 33.126 12.667 1.00 61.53 H new ATOM 0 HE2 TYR A 95 39.723 33.079 16.481 1.00 22.55 H new ATOM 0 HH TYR A 95 39.276 34.584 14.924 1.00 74.25 H new ATOM 1251 N VAL A 96 43.885 31.182 18.157 1.00 72.30 N ATOM 1252 CA VAL A 96 43.855 32.293 19.101 1.00 22.20 C ATOM 1253 C VAL A 96 45.220 32.501 19.747 1.00 24.50 C ATOM 1254 O VAL A 96 45.876 33.519 19.523 1.00 10.50 O ATOM 1255 CB VAL A 96 42.806 32.065 20.206 1.00 42.51 C ATOM 1256 CG1 VAL A 96 42.541 33.356 20.965 1.00 53.44 C ATOM 1257 CG2 VAL A 96 41.519 31.511 19.611 1.00 24.42 C ATOM 0 H VAL A 96 43.519 30.305 18.527 1.00 72.30 H new ATOM 0 HA VAL A 96 43.584 33.183 18.533 1.00 22.20 H new ATOM 0 HB VAL A 96 43.198 31.332 20.911 1.00 42.51 H new ATOM 0 HG11 VAL A 96 41.798 33.176 21.741 1.00 53.44 H new ATOM 0 HG12 VAL A 96 43.466 33.705 21.423 1.00 53.44 H new ATOM 0 HG13 VAL A 96 42.169 34.114 20.275 1.00 53.44 H new ATOM 0 HG21 VAL A 96 40.788 31.356 20.405 1.00 24.42 H new ATOM 0 HG22 VAL A 96 41.120 32.219 18.884 1.00 24.42 H new ATOM 0 HG23 VAL A 96 41.726 30.561 19.117 1.00 24.42 H new ATOM 1267 N SER A 97 45.643 31.530 20.551 1.00 22.24 N ATOM 1268 CA SER A 97 46.929 31.608 21.233 1.00 25.11 C ATOM 1269 C SER A 97 48.056 31.873 20.239 1.00 72.32 C ATOM 1270 O SER A 97 49.092 32.435 20.593 1.00 74.33 O ATOM 1271 CB SER A 97 47.203 30.313 22.000 1.00 50.31 C ATOM 1272 OG SER A 97 48.020 30.554 23.132 1.00 51.32 O ATOM 0 H SER A 97 45.113 30.680 20.746 1.00 22.24 H new ATOM 0 HA SER A 97 46.888 32.438 21.939 1.00 25.11 H new ATOM 0 HB2 SER A 97 46.260 29.868 22.317 1.00 50.31 H new ATOM 0 HB3 SER A 97 47.690 29.593 21.342 1.00 50.31 H new ATOM 0 HG SER A 97 48.179 29.711 23.606 1.00 51.32 H new ATOM 1277 N GLY A 98 47.845 31.464 18.992 1.00 34.21 N ATOM 1278 CA GLY A 98 48.851 31.664 17.966 1.00 10.41 C ATOM 1279 C GLY A 98 48.773 33.042 17.338 1.00 13.31 C ATOM 1280 O GLY A 98 49.770 33.560 16.836 1.00 20.14 O ATOM 0 H GLY A 98 46.995 30.998 18.674 1.00 34.21 H new ATOM 0 HA2 GLY A 98 49.841 31.521 18.399 1.00 10.41 H new ATOM 0 HA3 GLY A 98 48.730 30.907 17.191 1.00 10.41 H new ATOM 1283 N ARG A 99 47.584 33.636 17.365 1.00 34.12 N ATOM 1284 CA ARG A 99 47.378 34.961 16.792 1.00 73.45 C ATOM 1285 C ARG A 99 47.914 36.045 17.723 1.00 15.42 C ATOM 1286 O ARG A 99 48.593 36.974 17.285 1.00 12.33 O ATOM 1287 CB ARG A 99 45.891 35.197 16.519 1.00 74.15 C ATOM 1288 CG ARG A 99 45.489 34.942 15.077 1.00 4.12 C ATOM 1289 CD ARG A 99 44.089 35.461 14.789 1.00 2.44 C ATOM 1290 NE ARG A 99 43.831 35.577 13.356 1.00 42.42 N ATOM 1291 CZ ARG A 99 44.343 36.537 12.593 1.00 53.53 C ATOM 1292 NH1 ARG A 99 45.136 37.457 13.123 1.00 2.04 N ATOM 1293 NH2 ARG A 99 44.062 36.575 11.297 1.00 41.22 N ATOM 0 H ARG A 99 46.749 33.221 17.778 1.00 34.12 H new ATOM 0 HA ARG A 99 47.925 35.011 15.851 1.00 73.45 H new ATOM 0 HB2 ARG A 99 45.304 34.550 17.171 1.00 74.15 H new ATOM 0 HB3 ARG A 99 45.641 36.225 16.781 1.00 74.15 H new ATOM 0 HG2 ARG A 99 46.202 35.425 14.409 1.00 4.12 H new ATOM 0 HG3 ARG A 99 45.532 33.873 14.870 1.00 4.12 H new ATOM 0 HD2 ARG A 99 43.355 34.791 15.236 1.00 2.44 H new ATOM 0 HD3 ARG A 99 43.960 36.435 15.260 1.00 2.44 H new ATOM 0 HE ARG A 99 43.225 34.884 12.917 1.00 42.42 H new ATOM 0 HH11 ARG A 99 45.355 37.429 14.119 1.00 2.04 H new ATOM 0 HH12 ARG A 99 45.528 38.193 12.535 1.00 2.04 H new ATOM 0 HH21 ARG A 99 43.453 35.867 10.886 1.00 41.22 H new ATOM 0 HH22 ARG A 99 44.455 37.312 10.711 1.00 41.22 H new ATOM 1304 N VAL A 100 47.603 35.919 19.010 1.00 44.33 N ATOM 1305 CA VAL A 100 48.054 36.887 20.002 1.00 62.03 C ATOM 1306 C VAL A 100 49.562 36.797 20.213 1.00 34.34 C ATOM 1307 O VAL A 100 50.199 37.762 20.637 1.00 55.34 O ATOM 1308 CB VAL A 100 47.344 36.678 21.353 1.00 21.13 C ATOM 1309 CG1 VAL A 100 47.754 37.756 22.344 1.00 31.13 C ATOM 1310 CG2 VAL A 100 45.835 36.661 21.164 1.00 22.35 C ATOM 0 H VAL A 100 47.041 35.157 19.389 1.00 44.33 H new ATOM 0 HA VAL A 100 47.803 37.875 19.617 1.00 62.03 H new ATOM 0 HB VAL A 100 47.647 35.712 21.758 1.00 21.13 H new ATOM 0 HG11 VAL A 100 47.242 37.592 23.292 1.00 31.13 H new ATOM 0 HG12 VAL A 100 48.832 37.715 22.501 1.00 31.13 H new ATOM 0 HG13 VAL A 100 47.482 38.735 21.950 1.00 31.13 H new ATOM 0 HG21 VAL A 100 45.349 36.512 22.128 1.00 22.35 H new ATOM 0 HG22 VAL A 100 45.511 37.610 20.737 1.00 22.35 H new ATOM 0 HG23 VAL A 100 45.562 35.848 20.491 1.00 22.35 H new ATOM 1320 N HIS A 101 50.127 35.631 19.915 1.00 12.22 N ATOM 1321 CA HIS A 101 51.561 35.414 20.071 1.00 25.44 C ATOM 1322 C HIS A 101 52.355 36.508 19.363 1.00 73.11 C ATOM 1323 O HIS A 101 53.442 36.882 19.802 1.00 72.13 O ATOM 1324 CB HIS A 101 51.954 34.043 19.520 1.00 25.33 C ATOM 1325 CG HIS A 101 53.432 33.805 19.506 1.00 74.22 C ATOM 1326 ND1 HIS A 101 54.077 33.128 18.492 1.00 33.25 N ATOM 1327 CD2 HIS A 101 54.394 34.158 20.391 1.00 30.12 C ATOM 1328 CE1 HIS A 101 55.370 33.074 18.754 1.00 11.05 C ATOM 1329 NE2 HIS A 101 55.589 33.693 19.901 1.00 53.12 N ATOM 0 H HIS A 101 49.614 34.822 19.564 1.00 12.22 H new ATOM 0 HA HIS A 101 51.796 35.449 21.135 1.00 25.44 H new ATOM 0 HB2 HIS A 101 51.475 33.269 20.119 1.00 25.33 H new ATOM 0 HB3 HIS A 101 51.569 33.944 18.505 1.00 25.33 H new ATOM 0 HD2 HIS A 101 54.248 34.704 21.311 1.00 30.12 H new ATOM 0 HE1 HIS A 101 56.121 32.604 18.136 1.00 11.05 H new ATOM 0 HE2 HIS A 101 56.498 33.807 20.349 1.00 53.12 H new