USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=13 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 Set 1.1: A 57 HIS : no HD1:sc= -1.13 X(o=-1.6,f=-2) USER MOD Set 1.2: A 64 LYS NZ :NH3+ 178:sc= -0.45 (180deg=-0.249) 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= -0.12 K(o=-0.12,f=-2.2!) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= -0.032 (180deg=-0.249) 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 X(o=0,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= -0.172 X(o=-0.17,f=-0.0073) 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 66 ASN :FLIP amide:sc= -0.378 F(o=-1.9,f=-0.38) USER MOD Single : A 77 GLN : amide:sc= -0.116 X(o=-0.12,f=0.38) 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+ -178:sc= 0 (180deg=-0.00417) USER MOD Single : A 90 ASN : amide:sc= -2.12 K(o=-2.1,f=-2.6) 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 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.854 31.836 17.604 1.00 21.24 N ATOM 281 CA LYS A 23 -6.992 31.148 17.006 1.00 60.13 C ATOM 282 C LYS A 23 -6.686 30.739 15.569 1.00 54.13 C ATOM 283 O LYS A 23 -6.494 29.558 15.277 1.00 44.15 O ATOM 284 CB LYS A 23 -8.232 32.045 17.038 1.00 13.54 C ATOM 285 CG LYS A 23 -7.935 33.504 16.740 1.00 11.11 C ATOM 286 CD LYS A 23 -8.543 34.422 17.787 1.00 63.32 C ATOM 287 CE LYS A 23 -10.056 34.272 17.849 1.00 53.31 C ATOM 288 NZ LYS A 23 -10.638 34.998 19.011 1.00 43.54 N ATOM 0 HA LYS A 23 -7.187 30.248 17.589 1.00 60.13 H new ATOM 0 HB2 LYS A 23 -8.957 31.675 16.313 1.00 13.54 H new ATOM 0 HB3 LYS A 23 -8.698 31.971 18.020 1.00 13.54 H new ATOM 0 HG2 LYS A 23 -6.856 33.657 16.703 1.00 11.11 H new ATOM 0 HG3 LYS A 23 -8.327 33.763 15.756 1.00 11.11 H new ATOM 0 HD2 LYS A 23 -8.114 34.197 18.763 1.00 63.32 H new ATOM 0 HD3 LYS A 23 -8.288 35.457 17.558 1.00 63.32 H new ATOM 0 HE2 LYS A 23 -10.497 34.650 16.927 1.00 53.31 H new ATOM 0 HE3 LYS A 23 -10.314 33.215 17.915 1.00 53.31 H new ATOM 0 HZ1 LYS A 23 -11.670 34.871 19.018 1.00 43.54 H new ATOM 0 HZ2 LYS A 23 -10.237 34.620 19.893 1.00 43.54 H new ATOM 0 HZ3 LYS A 23 -10.414 36.011 18.935 1.00 43.54 H new ATOM 298 N SER A 24 -6.639 31.722 14.676 1.00 70.43 N ATOM 299 CA SER A 24 -6.357 31.463 13.268 1.00 41.45 C ATOM 300 C SER A 24 -5.325 30.350 13.116 1.00 61.31 C ATOM 301 O SER A 24 -5.347 29.597 12.142 1.00 52.42 O ATOM 302 CB SER A 24 -5.857 32.736 12.583 1.00 2.01 C ATOM 303 OG SER A 24 -6.674 33.076 11.476 1.00 13.34 O ATOM 0 H SER A 24 -6.792 32.705 14.902 1.00 70.43 H new ATOM 0 HA SER A 24 -7.283 31.143 12.791 1.00 41.45 H new ATOM 0 HB2 SER A 24 -5.849 33.558 13.299 1.00 2.01 H new ATOM 0 HB3 SER A 24 -4.829 32.593 12.250 1.00 2.01 H new ATOM 0 HG SER A 24 -6.334 33.894 11.057 1.00 13.34 H new ATOM 308 N TYR A 25 -4.421 30.255 14.085 1.00 73.33 N ATOM 309 CA TYR A 25 -3.378 29.236 14.058 1.00 21.24 C ATOM 310 C TYR A 25 -3.885 27.921 14.642 1.00 5.30 C ATOM 311 O TYR A 25 -3.849 26.882 13.985 1.00 33.13 O ATOM 312 CB TYR A 25 -2.151 29.713 14.837 1.00 74.44 C ATOM 313 CG TYR A 25 -1.562 31.002 14.309 1.00 4.10 C ATOM 314 CD1 TYR A 25 -2.298 32.181 14.322 1.00 32.00 C ATOM 315 CD2 TYR A 25 -0.270 31.042 13.800 1.00 54.15 C ATOM 316 CE1 TYR A 25 -1.765 33.361 13.840 1.00 14.40 C ATOM 317 CE2 TYR A 25 0.272 32.217 13.318 1.00 41.04 C ATOM 318 CZ TYR A 25 -0.480 33.374 13.339 1.00 31.31 C ATOM 319 OH TYR A 25 0.056 34.547 12.860 1.00 23.35 O ATOM 0 H TYR A 25 -4.389 30.870 14.898 1.00 73.33 H new ATOM 0 HA TYR A 25 -3.098 29.066 13.018 1.00 21.24 H new ATOM 0 HB2 TYR A 25 -2.426 29.850 15.883 1.00 74.44 H new ATOM 0 HB3 TYR A 25 -1.388 28.936 14.808 1.00 74.44 H new ATOM 0 HD1 TYR A 25 -3.304 32.175 14.716 1.00 32.00 H new ATOM 0 HD2 TYR A 25 0.321 30.138 13.781 1.00 54.15 H new ATOM 0 HE1 TYR A 25 -2.351 34.268 13.855 1.00 14.40 H new ATOM 0 HE2 TYR A 25 1.279 32.230 12.927 1.00 41.04 H new ATOM 0 HH TYR A 25 0.970 34.384 12.545 1.00 23.35 H new ATOM 328 N ALA A 26 -4.360 27.976 15.882 1.00 13.14 N ATOM 329 CA ALA A 26 -4.877 26.792 16.556 1.00 54.41 C ATOM 330 C ALA A 26 -6.206 26.353 15.951 1.00 5.35 C ATOM 331 O ALA A 26 -6.393 25.183 15.624 1.00 73.04 O ATOM 332 CB ALA A 26 -5.035 27.058 18.045 1.00 12.34 C ATOM 0 H ALA A 26 -4.397 28.829 16.440 1.00 13.14 H new ATOM 0 HA ALA A 26 -4.159 25.983 16.418 1.00 54.41 H new ATOM 0 HB1 ALA A 26 -5.422 26.165 18.535 1.00 12.34 H new ATOM 0 HB2 ALA A 26 -4.066 27.316 18.473 1.00 12.34 H new ATOM 0 HB3 ALA A 26 -5.730 27.884 18.195 1.00 12.34 H new ATOM 338 N GLU A 27 -7.127 27.301 15.808 1.00 63.43 N ATOM 339 CA GLU A 27 -8.440 27.011 15.243 1.00 43.03 C ATOM 340 C GLU A 27 -8.311 26.216 13.947 1.00 3.21 C ATOM 341 O GLU A 27 -8.866 25.126 13.819 1.00 53.54 O ATOM 342 CB GLU A 27 -9.207 28.309 14.984 1.00 64.23 C ATOM 343 CG GLU A 27 -10.650 28.091 14.561 1.00 33.12 C ATOM 344 CD GLU A 27 -11.642 28.529 15.621 1.00 32.22 C ATOM 345 OE1 GLU A 27 -11.651 29.731 15.962 1.00 40.11 O ATOM 346 OE2 GLU A 27 -12.407 27.672 16.109 1.00 33.31 O ATOM 0 H GLU A 27 -6.988 28.276 16.075 1.00 63.43 H new ATOM 0 HA GLU A 27 -8.993 26.409 15.965 1.00 43.03 H new ATOM 0 HB2 GLU A 27 -9.191 28.917 15.888 1.00 64.23 H new ATOM 0 HB3 GLU A 27 -8.692 28.877 14.209 1.00 64.23 H new ATOM 0 HG2 GLU A 27 -10.842 28.642 13.640 1.00 33.12 H new ATOM 0 HG3 GLU A 27 -10.804 27.035 14.339 1.00 33.12 H new ATOM 351 N GLN A 28 -7.577 26.771 12.989 1.00 30.21 N ATOM 352 CA GLN A 28 -7.376 26.115 11.703 1.00 71.41 C ATOM 353 C GLN A 28 -6.988 24.652 11.893 1.00 31.31 C ATOM 354 O GLN A 28 -7.410 23.784 11.131 1.00 13.31 O ATOM 355 CB GLN A 28 -6.296 26.842 10.898 1.00 42.54 C ATOM 356 CG GLN A 28 -6.852 27.712 9.783 1.00 4.42 C ATOM 357 CD GLN A 28 -5.881 27.874 8.630 1.00 1.34 C ATOM 358 OE1 GLN A 28 -4.806 27.275 8.621 1.00 32.25 O ATOM 359 NE2 GLN A 28 -6.257 28.686 7.649 1.00 21.12 N ATOM 0 H GLN A 28 -7.111 27.674 13.079 1.00 30.21 H new ATOM 0 HA GLN A 28 -8.316 26.154 11.153 1.00 71.41 H new ATOM 0 HB2 GLN A 28 -5.707 27.463 11.573 1.00 42.54 H new ATOM 0 HB3 GLN A 28 -5.617 26.105 10.469 1.00 42.54 H new ATOM 0 HG2 GLN A 28 -7.779 27.274 9.413 1.00 4.42 H new ATOM 0 HG3 GLN A 28 -7.101 28.694 10.184 1.00 4.42 H new ATOM 0 HE21 GLN A 28 -7.158 29.162 7.698 1.00 21.12 H new ATOM 0 HE22 GLN A 28 -5.645 28.833 6.846 1.00 21.12 H new ATOM 366 N GLY A 29 -6.179 24.387 12.915 1.00 4.20 N ATOM 367 CA GLY A 29 -5.746 23.029 13.186 1.00 1.22 C ATOM 368 C GLY A 29 -6.859 22.168 13.750 1.00 11.21 C ATOM 369 O GLY A 29 -7.051 21.030 13.322 1.00 3.23 O ATOM 0 H GLY A 29 -5.816 25.089 13.560 1.00 4.20 H new ATOM 0 HA2 GLY A 29 -5.373 22.579 12.266 1.00 1.22 H new ATOM 0 HA3 GLY A 29 -4.914 23.050 13.890 1.00 1.22 H new ATOM 372 N LYS A 30 -7.595 22.711 14.714 1.00 34.03 N ATOM 373 CA LYS A 30 -8.695 21.985 15.339 1.00 35.53 C ATOM 374 C LYS A 30 -9.816 21.729 14.337 1.00 32.41 C ATOM 375 O LYS A 30 -10.320 20.611 14.230 1.00 0.02 O ATOM 376 CB LYS A 30 -9.235 22.771 16.536 1.00 41.23 C ATOM 377 CG LYS A 30 -8.913 22.134 17.877 1.00 60.40 C ATOM 378 CD LYS A 30 -8.431 23.167 18.882 1.00 34.20 C ATOM 379 CE LYS A 30 -7.053 23.699 18.517 1.00 0.42 C ATOM 380 NZ LYS A 30 -6.007 22.643 18.614 1.00 40.31 N ATOM 0 H LYS A 30 -7.450 23.652 15.080 1.00 34.03 H new ATOM 0 HA LYS A 30 -8.315 21.024 15.685 1.00 35.53 H new ATOM 0 HB2 LYS A 30 -8.822 23.780 16.514 1.00 41.23 H new ATOM 0 HB3 LYS A 30 -10.316 22.867 16.439 1.00 41.23 H new ATOM 0 HG2 LYS A 30 -9.800 21.633 18.265 1.00 60.40 H new ATOM 0 HG3 LYS A 30 -8.148 21.370 17.744 1.00 60.40 H new ATOM 0 HD2 LYS A 30 -9.141 23.993 18.926 1.00 34.20 H new ATOM 0 HD3 LYS A 30 -8.399 22.721 19.876 1.00 34.20 H new ATOM 0 HE2 LYS A 30 -7.074 24.097 17.502 1.00 0.42 H new ATOM 0 HE3 LYS A 30 -6.796 24.526 19.179 1.00 0.42 H new ATOM 0 HZ1 LYS A 30 -5.066 23.086 18.627 1.00 40.31 H new ATOM 0 HZ2 LYS A 30 -6.145 22.097 19.489 1.00 40.31 H new ATOM 0 HZ3 LYS A 30 -6.079 22.007 17.794 1.00 40.31 H new ATOM 390 N GLU A 31 -10.199 22.770 13.605 1.00 21.21 N ATOM 391 CA GLU A 31 -11.259 22.655 12.611 1.00 54.11 C ATOM 392 C GLU A 31 -11.090 21.388 11.778 1.00 73.31 C ATOM 393 O GLU A 31 -12.070 20.767 11.366 1.00 70.13 O ATOM 394 CB GLU A 31 -11.267 23.882 11.697 1.00 53.31 C ATOM 395 CG GLU A 31 -11.679 25.163 12.402 1.00 41.20 C ATOM 396 CD GLU A 31 -12.615 26.015 11.565 1.00 34.13 C ATOM 397 OE1 GLU A 31 -12.142 26.635 10.590 1.00 75.11 O ATOM 398 OE2 GLU A 31 -13.821 26.060 11.887 1.00 73.31 O ATOM 0 H GLU A 31 -9.791 23.702 13.682 1.00 21.21 H new ATOM 0 HA GLU A 31 -12.211 22.597 13.139 1.00 54.11 H new ATOM 0 HB2 GLU A 31 -10.272 24.015 11.272 1.00 53.31 H new ATOM 0 HB3 GLU A 31 -11.947 23.700 10.865 1.00 53.31 H new ATOM 0 HG2 GLU A 31 -12.166 24.914 13.345 1.00 41.20 H new ATOM 0 HG3 GLU A 31 -10.788 25.741 12.646 1.00 41.20 H new ATOM 403 N TYR A 32 -9.839 21.010 11.534 1.00 41.54 N ATOM 404 CA TYR A 32 -9.541 19.819 10.749 1.00 60.55 C ATOM 405 C TYR A 32 -9.737 18.554 11.580 1.00 61.54 C ATOM 406 O TYR A 32 -10.246 17.548 11.086 1.00 53.20 O ATOM 407 CB TYR A 32 -8.106 19.878 10.220 1.00 52.14 C ATOM 408 CG TYR A 32 -7.661 18.606 9.535 1.00 21.01 C ATOM 409 CD1 TYR A 32 -7.474 17.434 10.257 1.00 70.43 C ATOM 410 CD2 TYR A 32 -7.426 18.577 8.166 1.00 75.15 C ATOM 411 CE1 TYR A 32 -7.066 16.269 9.635 1.00 11.50 C ATOM 412 CE2 TYR A 32 -7.019 17.416 7.536 1.00 22.41 C ATOM 413 CZ TYR A 32 -6.841 16.265 8.275 1.00 13.01 C ATOM 414 OH TYR A 32 -6.434 15.107 7.652 1.00 64.54 O ATOM 0 H TYR A 32 -9.016 21.512 11.869 1.00 41.54 H new ATOM 0 HA TYR A 32 -10.232 19.788 9.906 1.00 60.55 H new ATOM 0 HB2 TYR A 32 -8.020 20.708 9.518 1.00 52.14 H new ATOM 0 HB3 TYR A 32 -7.430 20.090 11.049 1.00 52.14 H new ATOM 0 HD1 TYR A 32 -7.650 17.433 11.322 1.00 70.43 H new ATOM 0 HD2 TYR A 32 -7.564 19.477 7.584 1.00 75.15 H new ATOM 0 HE1 TYR A 32 -6.924 15.367 10.211 1.00 11.50 H new ATOM 0 HE2 TYR A 32 -6.841 17.410 6.471 1.00 22.41 H new ATOM 0 HH TYR A 32 -6.321 15.274 6.693 1.00 64.54 H new ATOM 423 N ILE A 33 -9.329 18.616 12.842 1.00 12.50 N ATOM 424 CA ILE A 33 -9.462 17.477 13.743 1.00 34.41 C ATOM 425 C ILE A 33 -10.889 17.351 14.263 1.00 1.33 C ATOM 426 O ILE A 33 -11.558 16.341 14.037 1.00 23.11 O ATOM 427 CB ILE A 33 -8.498 17.591 14.940 1.00 24.11 C ATOM 428 CG1 ILE A 33 -7.096 17.129 14.540 1.00 62.22 C ATOM 429 CG2 ILE A 33 -9.016 16.776 16.115 1.00 52.31 C ATOM 430 CD1 ILE A 33 -6.434 18.025 13.517 1.00 73.23 C ATOM 0 H ILE A 33 -8.904 19.441 13.264 1.00 12.50 H new ATOM 0 HA ILE A 33 -9.209 16.587 13.167 1.00 34.41 H new ATOM 0 HB ILE A 33 -8.441 18.636 15.244 1.00 24.11 H new ATOM 0 HG12 ILE A 33 -6.469 17.083 15.431 1.00 62.22 H new ATOM 0 HG13 ILE A 33 -7.156 16.117 14.140 1.00 62.22 H new ATOM 0 HG21 ILE A 33 -8.325 16.866 16.953 1.00 52.31 H new ATOM 0 HG22 ILE A 33 -9.997 17.148 16.412 1.00 52.31 H new ATOM 0 HG23 ILE A 33 -9.098 15.729 15.823 1.00 52.31 H new ATOM 0 HD11 ILE A 33 -5.443 17.637 13.280 1.00 73.23 H new ATOM 0 HD12 ILE A 33 -7.039 18.052 12.611 1.00 73.23 H new ATOM 0 HD13 ILE A 33 -6.342 19.033 13.922 1.00 73.23 H new ATOM 441 N THR A 34 -11.352 18.383 14.962 1.00 11.51 N ATOM 442 CA THR A 34 -12.700 18.388 15.514 1.00 4.52 C ATOM 443 C THR A 34 -13.651 17.565 14.653 1.00 41.22 C ATOM 444 O THR A 34 -14.394 16.725 15.162 1.00 65.05 O ATOM 445 CB THR A 34 -13.251 19.822 15.639 1.00 34.02 C ATOM 446 OG1 THR A 34 -14.659 19.786 15.898 1.00 12.25 O ATOM 447 CG2 THR A 34 -12.984 20.617 14.370 1.00 13.12 C ATOM 0 H THR A 34 -10.812 19.226 15.159 1.00 11.51 H new ATOM 0 HA THR A 34 -12.636 17.943 16.507 1.00 4.52 H new ATOM 0 HB THR A 34 -12.742 20.311 16.469 1.00 34.02 H new ATOM 0 HG1 THR A 34 -15.000 20.701 15.977 1.00 12.25 H new ATOM 0 HG21 THR A 34 -13.382 21.626 14.482 1.00 13.12 H new ATOM 0 HG22 THR A 34 -11.910 20.668 14.192 1.00 13.12 H new ATOM 0 HG23 THR A 34 -13.469 20.128 13.525 1.00 13.12 H new ATOM 604 N PRO A 46 -13.668 -0.020 20.559 1.00 54.33 N ATOM 605 CA PRO A 46 -13.664 -1.437 20.180 1.00 1.13 C ATOM 606 C PRO A 46 -14.831 -2.204 20.792 1.00 1.44 C ATOM 607 O PRO A 46 -15.183 -3.288 20.330 1.00 75.42 O ATOM 608 CB PRO A 46 -12.334 -1.950 20.738 1.00 44.13 C ATOM 609 CG PRO A 46 -12.018 -1.031 21.867 1.00 4.44 C ATOM 610 CD PRO A 46 -12.562 0.314 21.472 1.00 2.14 C ATOM 0 HA PRO A 46 -13.770 -1.571 19.104 1.00 1.13 H new ATOM 0 HB2 PRO A 46 -12.419 -2.982 21.079 1.00 44.13 H new ATOM 0 HB3 PRO A 46 -11.552 -1.929 19.979 1.00 44.13 H new ATOM 0 HG2 PRO A 46 -12.475 -1.380 22.793 1.00 4.44 H new ATOM 0 HG3 PRO A 46 -10.943 -0.981 22.040 1.00 4.44 H new ATOM 0 HD2 PRO A 46 -12.912 0.876 22.338 1.00 2.14 H new ATOM 0 HD3 PRO A 46 -11.805 0.925 20.980 1.00 2.14 H new ATOM 615 N GLU A 47 -15.426 -1.633 21.834 1.00 44.53 N ATOM 616 CA GLU A 47 -16.554 -2.265 22.510 1.00 41.11 C ATOM 617 C GLU A 47 -17.877 -1.812 21.899 1.00 4.31 C ATOM 618 O GLU A 47 -18.918 -2.432 22.120 1.00 64.55 O ATOM 619 CB GLU A 47 -16.531 -1.938 24.005 1.00 73.34 C ATOM 620 CG GLU A 47 -15.361 -2.563 24.745 1.00 13.14 C ATOM 621 CD GLU A 47 -15.805 -3.486 25.864 1.00 61.23 C ATOM 622 OE1 GLU A 47 -16.345 -2.982 26.870 1.00 15.33 O ATOM 623 OE2 GLU A 47 -15.612 -4.713 25.732 1.00 55.12 O ATOM 0 H GLU A 47 -15.147 -0.735 22.229 1.00 44.53 H new ATOM 0 HA GLU A 47 -16.464 -3.344 22.381 1.00 41.11 H new ATOM 0 HB2 GLU A 47 -16.494 -0.856 24.131 1.00 73.34 H new ATOM 0 HB3 GLU A 47 -17.461 -2.280 24.458 1.00 73.34 H new ATOM 0 HG2 GLU A 47 -14.747 -3.123 24.040 1.00 13.14 H new ATOM 0 HG3 GLU A 47 -14.733 -1.773 25.158 1.00 13.14 H new ATOM 628 N ASP A 48 -17.828 -0.727 21.134 1.00 14.21 N ATOM 629 CA ASP A 48 -19.023 -0.191 20.491 1.00 31.14 C ATOM 630 C ASP A 48 -19.027 -0.509 18.999 1.00 35.23 C ATOM 631 O ASP A 48 -19.721 0.139 18.219 1.00 61.42 O ATOM 632 CB ASP A 48 -19.105 1.322 20.702 1.00 34.34 C ATOM 633 CG ASP A 48 -20.534 1.820 20.771 1.00 40.42 C ATOM 634 OD1 ASP A 48 -21.376 1.125 21.378 1.00 0.13 O ATOM 635 OD2 ASP A 48 -20.813 2.905 20.218 1.00 73.34 O ATOM 0 H ASP A 48 -16.975 -0.202 20.944 1.00 14.21 H new ATOM 0 HA ASP A 48 -19.894 -0.663 20.947 1.00 31.14 H new ATOM 0 HB2 ASP A 48 -18.586 1.586 21.624 1.00 34.34 H new ATOM 0 HB3 ASP A 48 -18.586 1.828 19.888 1.00 34.34 H new ATOM 639 N ASN A 49 -18.246 -1.513 18.611 1.00 11.23 N ATOM 640 CA ASN A 49 -18.158 -1.916 17.213 1.00 50.45 C ATOM 641 C ASN A 49 -19.543 -2.208 16.644 1.00 71.50 C ATOM 642 O ASN A 49 -19.774 -2.070 15.442 1.00 42.13 O ATOM 643 CB ASN A 49 -17.267 -3.152 17.072 1.00 35.44 C ATOM 644 CG ASN A 49 -16.764 -3.345 15.654 1.00 44.42 C ATOM 645 OD1 ASN A 49 -15.782 -2.728 15.243 1.00 23.13 O ATOM 646 ND2 ASN A 49 -17.439 -4.204 14.899 1.00 20.12 N ATOM 0 H ASN A 49 -17.666 -2.062 19.245 1.00 11.23 H new ATOM 0 HA ASN A 49 -17.718 -1.093 16.650 1.00 50.45 H new ATOM 0 HB2 ASN A 49 -16.416 -3.062 17.747 1.00 35.44 H new ATOM 0 HB3 ASN A 49 -17.826 -4.036 17.380 1.00 35.44 H new ATOM 0 HD21 ASN A 49 -17.149 -4.374 13.936 1.00 20.12 H new ATOM 0 HD22 ASN A 49 -18.248 -4.694 15.282 1.00 20.12 H new ATOM 652 N LYS A 50 -20.462 -2.610 17.514 1.00 52.24 N ATOM 653 CA LYS A 50 -21.826 -2.919 17.100 1.00 21.41 C ATOM 654 C LYS A 50 -22.737 -1.708 17.280 1.00 71.40 C ATOM 655 O LYS A 50 -23.529 -1.380 16.398 1.00 43.33 O ATOM 656 CB LYS A 50 -22.370 -4.103 17.904 1.00 73.42 C ATOM 657 CG LYS A 50 -22.717 -5.309 17.049 1.00 34.14 C ATOM 658 CD LYS A 50 -22.011 -6.563 17.541 1.00 64.42 C ATOM 659 CE LYS A 50 -22.333 -7.763 16.665 1.00 40.42 C ATOM 660 NZ LYS A 50 -21.177 -8.155 15.813 1.00 31.42 N ATOM 0 H LYS A 50 -20.287 -2.730 18.512 1.00 52.24 H new ATOM 0 HA LYS A 50 -21.807 -3.184 16.043 1.00 21.41 H new ATOM 0 HB2 LYS A 50 -21.630 -4.397 18.649 1.00 73.42 H new ATOM 0 HB3 LYS A 50 -23.260 -3.785 18.447 1.00 73.42 H new ATOM 0 HG2 LYS A 50 -23.795 -5.468 17.063 1.00 34.14 H new ATOM 0 HG3 LYS A 50 -22.437 -5.115 16.014 1.00 34.14 H new ATOM 0 HD2 LYS A 50 -20.934 -6.396 17.550 1.00 64.42 H new ATOM 0 HD3 LYS A 50 -22.310 -6.771 18.569 1.00 64.42 H new ATOM 0 HE2 LYS A 50 -22.622 -8.605 17.294 1.00 40.42 H new ATOM 0 HE3 LYS A 50 -23.189 -7.530 16.031 1.00 40.42 H new ATOM 0 HZ1 LYS A 50 -21.437 -8.977 15.231 1.00 31.42 H new ATOM 0 HZ2 LYS A 50 -20.917 -7.361 15.194 1.00 31.42 H new ATOM 0 HZ3 LYS A 50 -20.368 -8.402 16.418 1.00 31.42 H new ATOM 670 N GLY A 51 -22.616 -1.048 18.427 1.00 1.24 N ATOM 671 CA GLY A 51 -23.433 0.120 18.701 1.00 41.14 C ATOM 672 C GLY A 51 -23.410 1.123 17.563 1.00 2.44 C ATOM 673 O GLY A 51 -24.375 1.857 17.354 1.00 1.40 O ATOM 0 H GLY A 51 -21.967 -1.301 19.172 1.00 1.24 H new ATOM 0 HA2 GLY A 51 -24.461 -0.194 18.884 1.00 41.14 H new ATOM 0 HA3 GLY A 51 -23.079 0.601 19.613 1.00 41.14 H new ATOM 676 N VAL A 52 -22.303 1.155 16.828 1.00 4.41 N ATOM 677 CA VAL A 52 -22.158 2.076 15.706 1.00 13.30 C ATOM 678 C VAL A 52 -23.098 1.705 14.565 1.00 3.44 C ATOM 679 O VAL A 52 -23.684 2.575 13.921 1.00 1.22 O ATOM 680 CB VAL A 52 -20.711 2.095 15.179 1.00 13.53 C ATOM 681 CG1 VAL A 52 -19.757 2.589 16.257 1.00 51.01 C ATOM 682 CG2 VAL A 52 -20.305 0.713 14.690 1.00 13.31 C ATOM 0 H VAL A 52 -21.494 0.555 16.989 1.00 4.41 H new ATOM 0 HA VAL A 52 -22.415 3.068 16.076 1.00 13.30 H new ATOM 0 HB VAL A 52 -20.658 2.784 14.336 1.00 13.53 H new ATOM 0 HG11 VAL A 52 -18.739 2.596 15.867 1.00 51.01 H new ATOM 0 HG12 VAL A 52 -20.038 3.599 16.556 1.00 51.01 H new ATOM 0 HG13 VAL A 52 -19.810 1.927 17.121 1.00 51.01 H new ATOM 0 HG21 VAL A 52 -19.280 0.744 14.321 1.00 13.31 H new ATOM 0 HG22 VAL A 52 -20.373 0.001 15.513 1.00 13.31 H new ATOM 0 HG23 VAL A 52 -20.971 0.402 13.885 1.00 13.31 H new ATOM 692 N PHE A 53 -23.238 0.406 14.319 1.00 3.41 N ATOM 693 CA PHE A 53 -24.107 -0.081 13.255 1.00 62.53 C ATOM 694 C PHE A 53 -25.520 -0.327 13.776 1.00 63.05 C ATOM 695 O PHE A 53 -26.445 -0.567 13.000 1.00 24.31 O ATOM 696 CB PHE A 53 -23.541 -1.370 12.656 1.00 40.14 C ATOM 697 CG PHE A 53 -22.379 -1.141 11.732 1.00 73.13 C ATOM 698 CD1 PHE A 53 -22.574 -0.600 10.472 1.00 3.02 C ATOM 699 CD2 PHE A 53 -21.091 -1.470 12.123 1.00 30.14 C ATOM 700 CE1 PHE A 53 -21.507 -0.387 9.620 1.00 32.31 C ATOM 701 CE2 PHE A 53 -20.019 -1.260 11.276 1.00 65.30 C ATOM 702 CZ PHE A 53 -20.228 -0.719 10.021 1.00 33.24 C ATOM 0 H PHE A 53 -22.760 -0.328 14.842 1.00 3.41 H new ATOM 0 HA PHE A 53 -24.153 0.683 12.479 1.00 62.53 H new ATOM 0 HB2 PHE A 53 -23.227 -2.030 13.465 1.00 40.14 H new ATOM 0 HB3 PHE A 53 -24.332 -1.886 12.112 1.00 40.14 H new ATOM 0 HD1 PHE A 53 -23.572 -0.341 10.151 1.00 3.02 H new ATOM 0 HD2 PHE A 53 -20.923 -1.896 13.101 1.00 30.14 H new ATOM 0 HE1 PHE A 53 -21.673 0.039 8.641 1.00 32.31 H new ATOM 0 HE2 PHE A 53 -19.020 -1.518 11.594 1.00 65.30 H new ATOM 0 HZ PHE A 53 -19.393 -0.556 9.356 1.00 33.24 H new ATOM 711 N GLN A 54 -25.678 -0.266 15.094 1.00 34.32 N ATOM 712 CA GLN A 54 -26.976 -0.482 15.719 1.00 54.53 C ATOM 713 C GLN A 54 -27.950 0.632 15.352 1.00 53.30 C ATOM 714 O GLN A 54 -29.115 0.378 15.049 1.00 72.30 O ATOM 715 CB GLN A 54 -26.828 -0.567 17.239 1.00 24.23 C ATOM 716 CG GLN A 54 -27.883 -1.433 17.907 1.00 13.22 C ATOM 717 CD GLN A 54 -28.144 -1.030 19.344 1.00 1.22 C ATOM 718 OE1 GLN A 54 -28.001 -1.838 20.264 1.00 61.34 O ATOM 719 NE2 GLN A 54 -28.530 0.224 19.548 1.00 32.44 N ATOM 0 H GLN A 54 -24.922 -0.069 15.750 1.00 34.32 H new ATOM 0 HA GLN A 54 -27.376 -1.426 15.348 1.00 54.53 H new ATOM 0 HB2 GLN A 54 -25.841 -0.963 17.478 1.00 24.23 H new ATOM 0 HB3 GLN A 54 -26.878 0.438 17.657 1.00 24.23 H new ATOM 0 HG2 GLN A 54 -28.812 -1.368 17.341 1.00 13.22 H new ATOM 0 HG3 GLN A 54 -27.564 -2.475 17.878 1.00 13.22 H new ATOM 0 HE21 GLN A 54 -28.636 0.860 18.758 1.00 32.44 H new ATOM 0 HE22 GLN A 54 -28.721 0.551 20.495 1.00 32.44 H new ATOM 726 N GLY A 55 -27.463 1.869 15.383 1.00 44.23 N ATOM 727 CA GLY A 55 -28.304 3.005 15.052 1.00 42.25 C ATOM 728 C GLY A 55 -28.231 3.373 13.583 1.00 11.12 C ATOM 729 O GLY A 55 -29.063 4.129 13.082 1.00 42.53 O ATOM 0 H GLY A 55 -26.502 2.105 15.631 1.00 44.23 H new ATOM 0 HA2 GLY A 55 -29.337 2.777 15.315 1.00 42.25 H new ATOM 0 HA3 GLY A 55 -28.004 3.863 15.654 1.00 42.25 H new ATOM 732 N VAL A 56 -27.229 2.839 12.891 1.00 40.25 N ATOM 733 CA VAL A 56 -27.049 3.116 11.470 1.00 21.22 C ATOM 734 C VAL A 56 -27.800 2.104 10.613 1.00 51.55 C ATOM 735 O VAL A 56 -28.611 2.474 9.763 1.00 33.11 O ATOM 736 CB VAL A 56 -25.559 3.098 11.080 1.00 54.21 C ATOM 737 CG1 VAL A 56 -25.388 2.603 9.651 1.00 25.42 C ATOM 738 CG2 VAL A 56 -24.946 4.478 11.254 1.00 64.33 C ATOM 0 H VAL A 56 -26.530 2.213 13.291 1.00 40.25 H new ATOM 0 HA VAL A 56 -27.453 4.112 11.288 1.00 21.22 H new ATOM 0 HB VAL A 56 -25.035 2.409 11.742 1.00 54.21 H new ATOM 0 HG11 VAL A 56 -24.329 2.597 9.392 1.00 25.42 H new ATOM 0 HG12 VAL A 56 -25.788 1.593 9.566 1.00 25.42 H new ATOM 0 HG13 VAL A 56 -25.924 3.264 8.970 1.00 25.42 H new ATOM 0 HG21 VAL A 56 -23.893 4.446 10.974 1.00 64.33 H new ATOM 0 HG22 VAL A 56 -25.470 5.192 10.618 1.00 64.33 H new ATOM 0 HG23 VAL A 56 -25.035 4.787 12.295 1.00 64.33 H new ATOM 748 N HIS A 57 -27.528 0.823 10.843 1.00 2.34 N ATOM 749 CA HIS A 57 -28.180 -0.244 10.093 1.00 53.21 C ATOM 750 C HIS A 57 -29.697 -0.131 10.194 1.00 43.41 C ATOM 751 O HIS A 57 -30.421 -0.510 9.272 1.00 1.54 O ATOM 752 CB HIS A 57 -27.724 -1.610 10.606 1.00 32.25 C ATOM 753 CG HIS A 57 -28.285 -2.761 9.829 1.00 2.21 C ATOM 754 ND1 HIS A 57 -27.516 -3.570 9.022 1.00 75.43 N ATOM 755 CD2 HIS A 57 -29.550 -3.236 9.742 1.00 72.02 C ATOM 756 CE1 HIS A 57 -28.283 -4.493 8.468 1.00 0.23 C ATOM 757 NE2 HIS A 57 -29.521 -4.312 8.890 1.00 15.53 N ATOM 0 H HIS A 57 -26.860 0.499 11.543 1.00 2.34 H new ATOM 0 HA HIS A 57 -27.895 -0.144 9.046 1.00 53.21 H new ATOM 0 HB2 HIS A 57 -26.635 -1.656 10.573 1.00 32.25 H new ATOM 0 HB3 HIS A 57 -28.015 -1.712 11.651 1.00 32.25 H new ATOM 0 HD2 HIS A 57 -30.419 -2.842 10.248 1.00 72.02 H new ATOM 0 HE1 HIS A 57 -27.953 -5.263 7.787 1.00 0.23 H new ATOM 0 HE2 HIS A 57 -30.326 -4.880 8.626 1.00 15.53 H new ATOM 764 N ASP A 58 -30.173 0.393 11.318 1.00 1.24 N ATOM 765 CA ASP A 58 -31.605 0.556 11.540 1.00 42.01 C ATOM 766 C ASP A 58 -32.118 1.827 10.869 1.00 23.34 C ATOM 767 O ASP A 58 -33.305 1.947 10.568 1.00 62.30 O ATOM 768 CB ASP A 58 -31.910 0.598 13.038 1.00 22.20 C ATOM 769 CG ASP A 58 -32.117 -0.784 13.625 1.00 75.21 C ATOM 770 OD1 ASP A 58 -32.608 -1.672 12.896 1.00 25.31 O ATOM 771 OD2 ASP A 58 -31.788 -0.979 14.814 1.00 71.30 O ATOM 0 H ASP A 58 -29.588 0.712 12.090 1.00 1.24 H new ATOM 0 HA ASP A 58 -32.115 -0.299 11.097 1.00 42.01 H new ATOM 0 HB2 ASP A 58 -31.090 1.092 13.559 1.00 22.20 H new ATOM 0 HB3 ASP A 58 -32.803 1.199 13.207 1.00 22.20 H new ATOM 775 N SER A 59 -31.214 2.774 10.639 1.00 60.20 N ATOM 776 CA SER A 59 -31.575 4.038 10.008 1.00 70.52 C ATOM 777 C SER A 59 -31.564 3.909 8.487 1.00 41.41 C ATOM 778 O SER A 59 -32.247 4.655 7.786 1.00 71.52 O ATOM 779 CB SER A 59 -30.610 5.144 10.444 1.00 71.24 C ATOM 780 OG SER A 59 -30.544 6.174 9.472 1.00 32.45 O ATOM 0 H SER A 59 -30.226 2.690 10.880 1.00 60.20 H new ATOM 0 HA SER A 59 -32.584 4.299 10.326 1.00 70.52 H new ATOM 0 HB2 SER A 59 -30.935 5.560 11.398 1.00 71.24 H new ATOM 0 HB3 SER A 59 -29.617 4.724 10.601 1.00 71.24 H new ATOM 0 HG SER A 59 -29.923 6.869 9.774 1.00 32.45 H new ATOM 785 N ALA A 60 -30.785 2.957 7.986 1.00 53.11 N ATOM 786 CA ALA A 60 -30.686 2.728 6.550 1.00 42.23 C ATOM 787 C ALA A 60 -31.725 1.713 6.083 1.00 1.43 C ATOM 788 O ALA A 60 -31.681 1.245 4.947 1.00 61.43 O ATOM 789 CB ALA A 60 -29.286 2.259 6.185 1.00 12.01 C ATOM 0 H ALA A 60 -30.213 2.331 8.553 1.00 53.11 H new ATOM 0 HA ALA A 60 -30.884 3.672 6.042 1.00 42.23 H new ATOM 0 HB1 ALA A 60 -29.227 2.092 5.109 1.00 12.01 H new ATOM 0 HB2 ALA A 60 -28.561 3.019 6.474 1.00 12.01 H new ATOM 0 HB3 ALA A 60 -29.066 1.329 6.709 1.00 12.01 H new ATOM 795 N GLU A 61 -32.658 1.377 6.970 1.00 13.03 N ATOM 796 CA GLU A 61 -33.706 0.416 6.648 1.00 22.11 C ATOM 797 C GLU A 61 -34.416 0.799 5.353 1.00 33.11 C ATOM 798 O GLU A 61 -34.911 -0.062 4.624 1.00 30.04 O ATOM 799 CB GLU A 61 -34.718 0.330 7.791 1.00 42.10 C ATOM 800 CG GLU A 61 -35.787 -0.729 7.580 1.00 12.14 C ATOM 801 CD GLU A 61 -35.390 -2.079 8.146 1.00 41.01 C ATOM 802 OE1 GLU A 61 -35.163 -2.165 9.371 1.00 65.23 O ATOM 803 OE2 GLU A 61 -35.306 -3.049 7.363 1.00 15.13 O ATOM 0 H GLU A 61 -32.709 1.756 7.916 1.00 13.03 H new ATOM 0 HA GLU A 61 -33.239 -0.560 6.511 1.00 22.11 H new ATOM 0 HB2 GLU A 61 -34.187 0.119 8.719 1.00 42.10 H new ATOM 0 HB3 GLU A 61 -35.199 1.300 7.913 1.00 42.10 H new ATOM 0 HG2 GLU A 61 -36.715 -0.401 8.048 1.00 12.14 H new ATOM 0 HG3 GLU A 61 -35.987 -0.831 6.513 1.00 12.14 H new ATOM 808 N LYS A 62 -34.463 2.097 5.072 1.00 52.13 N ATOM 809 CA LYS A 62 -35.111 2.597 3.865 1.00 55.20 C ATOM 810 C LYS A 62 -34.164 2.528 2.672 1.00 64.32 C ATOM 811 O LYS A 62 -34.586 2.264 1.546 1.00 12.33 O ATOM 812 CB LYS A 62 -35.583 4.037 4.075 1.00 63.44 C ATOM 813 CG LYS A 62 -36.957 4.140 4.714 1.00 31.15 C ATOM 814 CD LYS A 62 -37.624 5.467 4.392 1.00 12.12 C ATOM 815 CE LYS A 62 -37.244 6.541 5.399 1.00 14.54 C ATOM 816 NZ LYS A 62 -38.242 6.645 6.501 1.00 21.45 N ATOM 0 H LYS A 62 -34.059 2.823 5.665 1.00 52.13 H new ATOM 0 HA LYS A 62 -35.975 1.966 3.657 1.00 55.20 H new ATOM 0 HB2 LYS A 62 -34.860 4.560 4.702 1.00 63.44 H new ATOM 0 HB3 LYS A 62 -35.600 4.549 3.113 1.00 63.44 H new ATOM 0 HG2 LYS A 62 -37.585 3.321 4.362 1.00 31.15 H new ATOM 0 HG3 LYS A 62 -36.866 4.030 5.795 1.00 31.15 H new ATOM 0 HD2 LYS A 62 -37.335 5.787 3.391 1.00 12.12 H new ATOM 0 HD3 LYS A 62 -38.706 5.339 4.386 1.00 12.12 H new ATOM 0 HE2 LYS A 62 -36.263 6.316 5.817 1.00 14.54 H new ATOM 0 HE3 LYS A 62 -37.161 7.502 4.892 1.00 14.54 H new ATOM 0 HZ1 LYS A 62 -37.948 7.388 7.167 1.00 21.45 H new ATOM 0 HZ2 LYS A 62 -39.173 6.884 6.105 1.00 21.45 H new ATOM 0 HZ3 LYS A 62 -38.302 5.735 7.002 1.00 21.45 H new ATOM 826 N GLY A 63 -32.881 2.768 2.924 1.00 11.04 N ATOM 827 CA GLY A 63 -31.895 2.728 1.861 1.00 33.23 C ATOM 828 C GLY A 63 -31.211 1.379 1.754 1.00 4.13 C ATOM 829 O GLY A 63 -30.147 1.260 1.145 1.00 14.45 O ATOM 0 H GLY A 63 -32.507 2.990 3.847 1.00 11.04 H new ATOM 0 HA2 GLY A 63 -32.378 2.963 0.913 1.00 33.23 H new ATOM 0 HA3 GLY A 63 -31.145 3.499 2.036 1.00 33.23 H new ATOM 832 N LYS A 64 -31.821 0.360 2.349 1.00 25.12 N ATOM 833 CA LYS A 64 -31.265 -0.987 2.320 1.00 52.31 C ATOM 834 C LYS A 64 -31.888 -1.808 1.194 1.00 34.25 C ATOM 835 O LYS A 64 -31.903 -3.038 1.246 1.00 12.25 O ATOM 836 CB LYS A 64 -31.496 -1.685 3.662 1.00 74.22 C ATOM 837 CG LYS A 64 -30.581 -2.876 3.894 1.00 71.51 C ATOM 838 CD LYS A 64 -29.258 -2.451 4.507 1.00 31.13 C ATOM 839 CE LYS A 64 -29.437 -1.971 5.939 1.00 34.34 C ATOM 840 NZ LYS A 64 -28.130 -1.785 6.629 1.00 53.01 N ATOM 0 H LYS A 64 -32.701 0.442 2.858 1.00 25.12 H new ATOM 0 HA LYS A 64 -30.193 -0.907 2.139 1.00 52.31 H new ATOM 0 HB2 LYS A 64 -31.351 -0.964 4.467 1.00 74.22 H new ATOM 0 HB3 LYS A 64 -32.533 -2.018 3.715 1.00 74.22 H new ATOM 0 HG2 LYS A 64 -31.074 -3.592 4.551 1.00 71.51 H new ATOM 0 HG3 LYS A 64 -30.398 -3.385 2.948 1.00 71.51 H new ATOM 0 HD2 LYS A 64 -28.561 -3.289 4.487 1.00 31.13 H new ATOM 0 HD3 LYS A 64 -28.817 -1.655 3.907 1.00 31.13 H new ATOM 0 HE2 LYS A 64 -29.986 -1.029 5.940 1.00 34.34 H new ATOM 0 HE3 LYS A 64 -30.040 -2.692 6.491 1.00 34.34 H new ATOM 0 HZ1 LYS A 64 -28.293 -1.425 7.591 1.00 53.01 H new ATOM 0 HZ2 LYS A 64 -27.632 -2.696 6.680 1.00 53.01 H new ATOM 0 HZ3 LYS A 64 -27.551 -1.103 6.098 1.00 53.01 H new ATOM 850 N ASP A 65 -32.398 -1.120 0.179 1.00 15.33 N ATOM 851 CA ASP A 65 -33.019 -1.786 -0.960 1.00 73.14 C ATOM 852 C ASP A 65 -32.158 -1.639 -2.211 1.00 35.01 C ATOM 853 O ASP A 65 -32.611 -1.906 -3.323 1.00 55.44 O ATOM 854 CB ASP A 65 -34.413 -1.212 -1.215 1.00 24.22 C ATOM 855 CG ASP A 65 -35.271 -2.132 -2.061 1.00 43.22 C ATOM 856 OD1 ASP A 65 -35.203 -3.362 -1.858 1.00 21.13 O ATOM 857 OD2 ASP A 65 -36.013 -1.621 -2.926 1.00 62.52 O ATOM 0 H ASP A 65 -32.394 -0.102 0.121 1.00 15.33 H new ATOM 0 HA ASP A 65 -33.109 -2.847 -0.725 1.00 73.14 H new ATOM 0 HB2 ASP A 65 -34.909 -1.032 -0.261 1.00 24.22 H new ATOM 0 HB3 ASP A 65 -34.320 -0.247 -1.713 1.00 24.22 H new ATOM 861 N ASN A 66 -30.914 -1.212 -2.020 1.00 21.55 N ATOM 862 CA ASN A 66 -29.990 -1.027 -3.133 1.00 31.42 C ATOM 863 C ASN A 66 -29.993 -2.247 -4.049 1.00 32.33 C ATOM 864 O ASN A 66 -29.685 -2.144 -5.237 1.00 30.22 O ATOM 865 CB ASN A 66 -28.575 -0.769 -2.611 1.00 55.32 C ATOM 866 CG ASN A 66 -28.368 -1.312 -1.209 1.00 24.41 C ATOM 867 OD1 ASN A 66 -28.644 -2.597 -1.026 1.00 71.20 O flip ATOM 868 ND2 ASN A 66 -27.966 -0.582 -0.303 1.00 13.24 N flip ATOM 0 H ASN A 66 -30.523 -0.988 -1.105 1.00 21.55 H new ATOM 0 HA ASN A 66 -30.320 -0.162 -3.708 1.00 31.42 H new ATOM 0 HB2 ASN A 66 -27.852 -1.228 -3.286 1.00 55.32 H new ATOM 0 HB3 ASN A 66 -28.379 0.303 -2.615 1.00 55.32 H new ATOM 0 HD21 ASN A 66 -27.766 0.401 -0.490 1.00 13.24 H new ATOM 0 HD22 ASN A 66 -27.832 -0.960 0.635 1.00 13.24 H new ATOM 874 N ALA A 67 -30.342 -3.400 -3.490 1.00 15.21 N ATOM 875 CA ALA A 67 -30.387 -4.638 -4.256 1.00 53.13 C ATOM 876 C ALA A 67 -31.212 -4.468 -5.527 1.00 10.41 C ATOM 877 O ALA A 67 -30.965 -5.134 -6.533 1.00 2.15 O ATOM 878 CB ALA A 67 -30.952 -5.766 -3.405 1.00 52.31 C ATOM 0 H ALA A 67 -30.598 -3.502 -2.508 1.00 15.21 H new ATOM 0 HA ALA A 67 -29.368 -4.893 -4.547 1.00 53.13 H new ATOM 0 HB1 ALA A 67 -30.980 -6.685 -3.991 1.00 52.31 H new ATOM 0 HB2 ALA A 67 -30.320 -5.913 -2.529 1.00 52.31 H new ATOM 0 HB3 ALA A 67 -31.962 -5.509 -3.085 1.00 52.31 H new ATOM 947 N LEU A 74 -24.141 -2.744 -13.458 1.00 25.15 N ATOM 948 CA LEU A 74 -23.898 -1.746 -12.422 1.00 11.24 C ATOM 949 C LEU A 74 -22.806 -0.771 -12.848 1.00 35.52 C ATOM 950 O LEU A 74 -22.764 0.370 -12.390 1.00 73.14 O ATOM 951 CB LEU A 74 -23.505 -2.428 -11.111 1.00 13.04 C ATOM 952 CG LEU A 74 -24.412 -2.153 -9.910 1.00 65.52 C ATOM 953 CD1 LEU A 74 -23.816 -2.745 -8.643 1.00 61.24 C ATOM 954 CD2 LEU A 74 -24.639 -0.656 -9.747 1.00 72.22 C ATOM 0 HA LEU A 74 -24.820 -1.185 -12.271 1.00 11.24 H new ATOM 0 HB2 LEU A 74 -23.476 -3.504 -11.280 1.00 13.04 H new ATOM 0 HB3 LEU A 74 -22.492 -2.119 -10.854 1.00 13.04 H new ATOM 0 HG LEU A 74 -25.376 -2.630 -10.089 1.00 65.52 H new ATOM 0 HD11 LEU A 74 -24.475 -2.539 -7.800 1.00 61.24 H new ATOM 0 HD12 LEU A 74 -23.705 -3.823 -8.762 1.00 61.24 H new ATOM 0 HD13 LEU A 74 -22.839 -2.298 -8.457 1.00 61.24 H new ATOM 0 HD21 LEU A 74 -25.286 -0.478 -8.888 1.00 72.22 H new ATOM 0 HD22 LEU A 74 -23.682 -0.158 -9.590 1.00 72.22 H new ATOM 0 HD23 LEU A 74 -25.111 -0.260 -10.646 1.00 72.22 H new ATOM 965 N ALA A 75 -21.923 -1.229 -13.730 1.00 54.24 N ATOM 966 CA ALA A 75 -20.832 -0.397 -14.223 1.00 60.14 C ATOM 967 C ALA A 75 -21.303 0.513 -15.353 1.00 54.24 C ATOM 968 O ALA A 75 -20.801 1.625 -15.517 1.00 13.30 O ATOM 969 CB ALA A 75 -19.675 -1.268 -14.691 1.00 5.13 C ATOM 0 H ALA A 75 -21.942 -2.172 -14.118 1.00 54.24 H new ATOM 0 HA ALA A 75 -20.489 0.234 -13.403 1.00 60.14 H new ATOM 0 HB1 ALA A 75 -18.867 -0.634 -15.057 1.00 5.13 H new ATOM 0 HB2 ALA A 75 -19.314 -1.872 -13.858 1.00 5.13 H new ATOM 0 HB3 ALA A 75 -20.014 -1.923 -15.494 1.00 5.13 H new ATOM 975 N ASP A 76 -22.269 0.033 -16.128 1.00 51.45 N ATOM 976 CA ASP A 76 -22.808 0.804 -17.243 1.00 21.01 C ATOM 977 C ASP A 76 -23.353 2.145 -16.763 1.00 44.34 C ATOM 978 O ASP A 76 -23.166 3.171 -17.416 1.00 52.32 O ATOM 979 CB ASP A 76 -23.911 0.015 -17.951 1.00 72.32 C ATOM 980 CG ASP A 76 -23.943 0.277 -19.444 1.00 3.24 C ATOM 981 OD1 ASP A 76 -23.037 -0.211 -20.152 1.00 10.40 O ATOM 982 OD2 ASP A 76 -24.873 0.972 -19.904 1.00 54.33 O ATOM 0 H ASP A 76 -22.695 -0.886 -16.005 1.00 51.45 H new ATOM 0 HA ASP A 76 -21.998 0.992 -17.947 1.00 21.01 H new ATOM 0 HB2 ASP A 76 -23.762 -1.050 -17.775 1.00 72.32 H new ATOM 0 HB3 ASP A 76 -24.876 0.277 -17.518 1.00 72.32 H new ATOM 986 N GLN A 77 -24.029 2.127 -15.618 1.00 61.20 N ATOM 987 CA GLN A 77 -24.603 3.343 -15.052 1.00 54.23 C ATOM 988 C GLN A 77 -23.552 4.133 -14.280 1.00 33.32 C ATOM 989 O GLN A 77 -23.522 5.362 -14.332 1.00 42.22 O ATOM 990 CB GLN A 77 -25.775 2.998 -14.133 1.00 40.35 C ATOM 991 CG GLN A 77 -25.356 2.667 -12.710 1.00 53.43 C ATOM 992 CD GLN A 77 -26.525 2.250 -11.838 1.00 61.05 C ATOM 993 OE1 GLN A 77 -26.759 2.828 -10.776 1.00 73.34 O ATOM 994 NE2 GLN A 77 -27.267 1.243 -12.284 1.00 13.53 N ATOM 0 H GLN A 77 -24.192 1.286 -15.065 1.00 61.20 H new ATOM 0 HA GLN A 77 -24.964 3.961 -15.874 1.00 54.23 H new ATOM 0 HB2 GLN A 77 -26.469 3.838 -14.112 1.00 40.35 H new ATOM 0 HB3 GLN A 77 -26.315 2.148 -14.551 1.00 40.35 H new ATOM 0 HG2 GLN A 77 -24.618 1.865 -12.730 1.00 53.43 H new ATOM 0 HG3 GLN A 77 -24.870 3.536 -12.267 1.00 53.43 H new ATOM 0 HE21 GLN A 77 -27.037 0.793 -13.170 1.00 13.53 H new ATOM 0 HE22 GLN A 77 -28.067 0.920 -11.741 1.00 13.53 H new ATOM 1001 N ALA A 78 -22.690 3.418 -13.564 1.00 4.31 N ATOM 1002 CA ALA A 78 -21.636 4.053 -12.781 1.00 74.41 C ATOM 1003 C ALA A 78 -20.978 5.185 -13.563 1.00 65.42 C ATOM 1004 O ALA A 78 -20.559 6.189 -12.987 1.00 30.04 O ATOM 1005 CB ALA A 78 -20.596 3.024 -12.364 1.00 60.43 C ATOM 0 H ALA A 78 -22.701 2.399 -13.510 1.00 4.31 H new ATOM 0 HA ALA A 78 -22.089 4.479 -11.886 1.00 74.41 H new ATOM 0 HB1 ALA A 78 -19.815 3.512 -11.780 1.00 60.43 H new ATOM 0 HB2 ALA A 78 -21.071 2.251 -11.760 1.00 60.43 H new ATOM 0 HB3 ALA A 78 -20.156 2.571 -13.252 1.00 60.43 H new ATOM 1011 N ARG A 79 -20.891 5.016 -14.879 1.00 22.34 N ATOM 1012 CA ARG A 79 -20.283 6.024 -15.739 1.00 22.50 C ATOM 1013 C ARG A 79 -21.234 7.197 -15.960 1.00 74.20 C ATOM 1014 O ARG A 79 -20.924 8.335 -15.607 1.00 0.31 O ATOM 1015 CB ARG A 79 -19.893 5.409 -17.085 1.00 51.35 C ATOM 1016 CG ARG A 79 -18.938 4.232 -16.964 1.00 3.25 C ATOM 1017 CD ARG A 79 -18.647 3.609 -18.320 1.00 2.44 C ATOM 1018 NE ARG A 79 -17.848 2.393 -18.203 1.00 11.24 N ATOM 1019 CZ ARG A 79 -17.310 1.764 -19.242 1.00 12.11 C ATOM 1020 NH1 ARG A 79 -17.484 2.234 -20.468 1.00 61.44 N ATOM 1021 NH2 ARG A 79 -16.596 0.661 -19.054 1.00 21.22 N ATOM 0 H ARG A 79 -21.234 4.191 -15.372 1.00 22.34 H new ATOM 0 HA ARG A 79 -19.386 6.395 -15.243 1.00 22.50 H new ATOM 0 HB2 ARG A 79 -20.796 5.082 -17.600 1.00 51.35 H new ATOM 0 HB3 ARG A 79 -19.432 6.177 -17.706 1.00 51.35 H new ATOM 0 HG2 ARG A 79 -18.006 4.564 -16.507 1.00 3.25 H new ATOM 0 HG3 ARG A 79 -19.367 3.480 -16.302 1.00 3.25 H new ATOM 0 HD2 ARG A 79 -19.587 3.378 -18.822 1.00 2.44 H new ATOM 0 HD3 ARG A 79 -18.120 4.330 -18.945 1.00 2.44 H new ATOM 0 HE ARG A 79 -17.694 2.005 -17.272 1.00 11.24 H new ATOM 0 HH11 ARG A 79 -18.032 3.081 -20.616 1.00 61.44 H new ATOM 0 HH12 ARG A 79 -17.070 1.749 -21.264 1.00 61.44 H new ATOM 0 HH21 ARG A 79 -16.460 0.296 -18.111 1.00 21.22 H new ATOM 0 HH22 ARG A 79 -16.183 0.178 -19.852 1.00 21.22 H new ATOM 1032 N ASP A 80 -22.390 6.911 -16.547 1.00 61.53 N ATOM 1033 CA ASP A 80 -23.387 7.942 -16.816 1.00 13.42 C ATOM 1034 C ASP A 80 -24.098 8.356 -15.531 1.00 0.22 C ATOM 1035 O ASP A 80 -24.158 9.540 -15.197 1.00 75.10 O ATOM 1036 CB ASP A 80 -24.407 7.441 -17.839 1.00 64.33 C ATOM 1037 CG ASP A 80 -23.878 7.497 -19.258 1.00 65.42 C ATOM 1038 OD1 ASP A 80 -23.644 8.617 -19.761 1.00 41.33 O ATOM 1039 OD2 ASP A 80 -23.696 6.423 -19.867 1.00 55.21 O ATOM 0 H ASP A 80 -22.661 5.974 -16.846 1.00 61.53 H new ATOM 0 HA ASP A 80 -22.874 8.813 -17.224 1.00 13.42 H new ATOM 0 HB2 ASP A 80 -24.685 6.415 -17.598 1.00 64.33 H new ATOM 0 HB3 ASP A 80 -25.314 8.042 -17.768 1.00 64.33 H new ATOM 1043 N TYR A 81 -24.637 7.375 -14.816 1.00 13.23 N ATOM 1044 CA TYR A 81 -25.348 7.638 -13.570 1.00 31.25 C ATOM 1045 C TYR A 81 -24.600 8.664 -12.723 1.00 5.41 C ATOM 1046 O TYR A 81 -25.096 9.764 -12.482 1.00 30.04 O ATOM 1047 CB TYR A 81 -25.530 6.342 -12.779 1.00 32.42 C ATOM 1048 CG TYR A 81 -26.696 6.378 -11.819 1.00 2.41 C ATOM 1049 CD1 TYR A 81 -27.934 6.868 -12.217 1.00 1.14 C ATOM 1050 CD2 TYR A 81 -26.562 5.922 -10.513 1.00 42.41 C ATOM 1051 CE1 TYR A 81 -29.004 6.903 -11.343 1.00 72.22 C ATOM 1052 CE2 TYR A 81 -27.626 5.952 -9.633 1.00 64.41 C ATOM 1053 CZ TYR A 81 -28.845 6.444 -10.053 1.00 15.13 C ATOM 1054 OH TYR A 81 -29.907 6.477 -9.178 1.00 42.13 O ATOM 0 H TYR A 81 -24.595 6.390 -15.078 1.00 13.23 H new ATOM 0 HA TYR A 81 -26.328 8.044 -13.819 1.00 31.25 H new ATOM 0 HB2 TYR A 81 -25.670 5.517 -13.477 1.00 32.42 H new ATOM 0 HB3 TYR A 81 -24.617 6.136 -12.221 1.00 32.42 H new ATOM 0 HD1 TYR A 81 -28.062 7.228 -13.227 1.00 1.14 H new ATOM 0 HD2 TYR A 81 -25.609 5.537 -10.180 1.00 42.41 H new ATOM 0 HE1 TYR A 81 -29.959 7.288 -11.669 1.00 72.22 H new ATOM 0 HE2 TYR A 81 -27.505 5.592 -8.622 1.00 64.41 H new ATOM 0 HH TYR A 81 -29.628 6.116 -8.311 1.00 42.13 H new ATOM 1063 N MET A 82 -23.405 8.294 -12.276 1.00 61.11 N ATOM 1064 CA MET A 82 -22.587 9.182 -11.457 1.00 51.42 C ATOM 1065 C MET A 82 -22.540 10.584 -12.056 1.00 10.02 C ATOM 1066 O MET A 82 -22.514 11.578 -11.332 1.00 61.10 O ATOM 1067 CB MET A 82 -21.169 8.624 -11.322 1.00 22.33 C ATOM 1068 CG MET A 82 -20.258 8.994 -12.481 1.00 20.33 C ATOM 1069 SD MET A 82 -18.567 8.412 -12.249 1.00 55.31 S ATOM 1070 CE MET A 82 -17.690 9.966 -12.105 1.00 32.12 C ATOM 0 H MET A 82 -22.981 7.386 -12.467 1.00 61.11 H new ATOM 0 HA MET A 82 -23.041 9.244 -10.468 1.00 51.42 H new ATOM 0 HB2 MET A 82 -20.730 8.990 -10.394 1.00 22.33 H new ATOM 0 HB3 MET A 82 -21.221 7.538 -11.243 1.00 22.33 H new ATOM 0 HG2 MET A 82 -20.660 8.573 -13.403 1.00 20.33 H new ATOM 0 HG3 MET A 82 -20.252 10.077 -12.602 1.00 20.33 H new ATOM 0 HE1 MET A 82 -16.628 9.772 -11.957 1.00 32.12 H new ATOM 0 HE2 MET A 82 -17.829 10.548 -13.016 1.00 32.12 H new ATOM 0 HE3 MET A 82 -18.079 10.526 -11.254 1.00 32.12 H new ATOM 1078 N GLY A 83 -22.529 10.656 -13.384 1.00 34.41 N ATOM 1079 CA GLY A 83 -22.484 11.940 -14.057 1.00 24.32 C ATOM 1080 C GLY A 83 -23.803 12.683 -13.977 1.00 24.21 C ATOM 1081 O GLY A 83 -23.868 13.790 -13.443 1.00 12.53 O ATOM 0 H GLY A 83 -22.550 9.847 -14.005 1.00 34.41 H new ATOM 0 HA2 GLY A 83 -21.698 12.552 -13.614 1.00 24.32 H new ATOM 0 HA3 GLY A 83 -22.218 11.789 -15.103 1.00 24.32 H new ATOM 1084 N ALA A 84 -24.857 12.074 -14.510 1.00 31.34 N ATOM 1085 CA ALA A 84 -26.180 12.685 -14.495 1.00 60.15 C ATOM 1086 C ALA A 84 -26.582 13.090 -13.083 1.00 4.52 C ATOM 1087 O ALA A 84 -27.445 13.948 -12.894 1.00 63.01 O ATOM 1088 CB ALA A 84 -27.209 11.730 -15.085 1.00 32.42 C ATOM 0 H ALA A 84 -24.820 11.158 -14.957 1.00 31.34 H new ATOM 0 HA ALA A 84 -26.143 13.587 -15.107 1.00 60.15 H new ATOM 0 HB1 ALA A 84 -28.193 12.199 -15.068 1.00 32.42 H new ATOM 0 HB2 ALA A 84 -26.938 11.493 -16.114 1.00 32.42 H new ATOM 0 HB3 ALA A 84 -27.234 10.813 -14.496 1.00 32.42 H new ATOM 1094 N ALA A 85 -25.952 12.469 -12.091 1.00 50.21 N ATOM 1095 CA ALA A 85 -26.243 12.767 -10.694 1.00 53.44 C ATOM 1096 C ALA A 85 -25.322 13.859 -10.162 1.00 65.03 C ATOM 1097 O ALA A 85 -25.735 15.007 -9.994 1.00 12.01 O ATOM 1098 CB ALA A 85 -26.117 11.509 -9.849 1.00 12.52 C ATOM 0 H ALA A 85 -25.236 11.756 -12.229 1.00 50.21 H new ATOM 0 HA ALA A 85 -27.268 13.132 -10.632 1.00 53.44 H new ATOM 0 HB1 ALA A 85 -26.337 11.746 -8.808 1.00 12.52 H new ATOM 0 HB2 ALA A 85 -26.822 10.758 -10.207 1.00 12.52 H new ATOM 0 HB3 ALA A 85 -25.102 11.119 -9.926 1.00 12.52 H new ATOM 1104 N LYS A 86 -24.072 13.495 -9.897 1.00 52.34 N ATOM 1105 CA LYS A 86 -23.091 14.443 -9.384 1.00 64.11 C ATOM 1106 C LYS A 86 -23.174 15.770 -10.131 1.00 63.44 C ATOM 1107 O LYS A 86 -22.885 16.828 -9.572 1.00 34.42 O ATOM 1108 CB LYS A 86 -21.679 13.865 -9.506 1.00 70.04 C ATOM 1109 CG LYS A 86 -20.625 14.672 -8.769 1.00 61.34 C ATOM 1110 CD LYS A 86 -19.707 15.404 -9.734 1.00 62.02 C ATOM 1111 CE LYS A 86 -18.355 15.700 -9.103 1.00 43.22 C ATOM 1112 NZ LYS A 86 -17.366 16.177 -10.108 1.00 55.52 N ATOM 0 H LYS A 86 -23.714 12.549 -10.029 1.00 52.34 H new ATOM 0 HA LYS A 86 -23.314 14.623 -8.332 1.00 64.11 H new ATOM 0 HB2 LYS A 86 -21.679 12.845 -9.121 1.00 70.04 H new ATOM 0 HB3 LYS A 86 -21.409 13.808 -10.560 1.00 70.04 H new ATOM 0 HG2 LYS A 86 -21.111 15.392 -8.111 1.00 61.34 H new ATOM 0 HG3 LYS A 86 -20.035 14.009 -8.136 1.00 61.34 H new ATOM 0 HD2 LYS A 86 -19.567 14.802 -10.632 1.00 62.02 H new ATOM 0 HD3 LYS A 86 -20.176 16.337 -10.046 1.00 62.02 H new ATOM 0 HE2 LYS A 86 -18.475 16.454 -8.325 1.00 43.22 H new ATOM 0 HE3 LYS A 86 -17.975 14.800 -8.619 1.00 43.22 H new ATOM 0 HZ1 LYS A 86 -16.458 16.368 -9.638 1.00 55.52 H new ATOM 0 HZ2 LYS A 86 -17.232 15.447 -10.837 1.00 55.52 H new ATOM 0 HZ3 LYS A 86 -17.716 17.050 -10.552 1.00 55.52 H new ATOM 1122 N SER A 87 -23.573 15.707 -11.398 1.00 51.01 N ATOM 1123 CA SER A 87 -23.692 16.904 -12.223 1.00 51.32 C ATOM 1124 C SER A 87 -25.039 17.585 -11.999 1.00 62.34 C ATOM 1125 O SER A 87 -25.104 18.712 -11.506 1.00 33.21 O ATOM 1126 CB SER A 87 -23.528 16.548 -13.702 1.00 32.12 C ATOM 1127 OG SER A 87 -22.945 17.621 -14.421 1.00 74.34 O ATOM 0 H SER A 87 -23.819 14.840 -11.875 1.00 51.01 H new ATOM 0 HA SER A 87 -22.901 17.596 -11.933 1.00 51.32 H new ATOM 0 HB2 SER A 87 -22.904 15.659 -13.799 1.00 32.12 H new ATOM 0 HB3 SER A 87 -24.500 16.304 -14.131 1.00 32.12 H new ATOM 0 HG SER A 87 -22.849 17.369 -15.363 1.00 74.34 H new ATOM 1132 N LYS A 88 -26.113 16.894 -12.366 1.00 5.41 N ATOM 1133 CA LYS A 88 -27.460 17.430 -12.205 1.00 31.24 C ATOM 1134 C LYS A 88 -27.885 17.403 -10.741 1.00 12.13 C ATOM 1135 O LYS A 88 -28.257 18.431 -10.173 1.00 14.43 O ATOM 1136 CB LYS A 88 -28.453 16.630 -13.050 1.00 65.24 C ATOM 1137 CG LYS A 88 -29.415 17.498 -13.844 1.00 13.42 C ATOM 1138 CD LYS A 88 -30.772 16.833 -13.993 1.00 51.30 C ATOM 1139 CE LYS A 88 -31.634 17.552 -15.020 1.00 50.15 C ATOM 1140 NZ LYS A 88 -31.987 18.930 -14.582 1.00 25.35 N ATOM 0 H LYS A 88 -26.077 15.961 -12.777 1.00 5.41 H new ATOM 0 HA LYS A 88 -27.455 18.466 -12.544 1.00 31.24 H new ATOM 0 HB2 LYS A 88 -27.899 15.992 -13.739 1.00 65.24 H new ATOM 0 HB3 LYS A 88 -29.026 15.972 -12.396 1.00 65.24 H new ATOM 0 HG2 LYS A 88 -29.533 18.461 -13.347 1.00 13.42 H new ATOM 0 HG3 LYS A 88 -28.997 17.698 -14.830 1.00 13.42 H new ATOM 0 HD2 LYS A 88 -30.638 15.793 -14.292 1.00 51.30 H new ATOM 0 HD3 LYS A 88 -31.282 16.824 -13.030 1.00 51.30 H new ATOM 0 HE2 LYS A 88 -31.103 17.598 -15.971 1.00 50.15 H new ATOM 0 HE3 LYS A 88 -32.546 16.981 -15.192 1.00 50.15 H new ATOM 0 HZ1 LYS A 88 -32.602 19.373 -15.293 1.00 25.35 H new ATOM 0 HZ2 LYS A 88 -32.486 18.887 -13.671 1.00 25.35 H new ATOM 0 HZ3 LYS A 88 -31.119 19.493 -14.475 1.00 25.35 H new ATOM 1150 N LEU A 89 -27.827 16.223 -10.134 1.00 14.22 N ATOM 1151 CA LEU A 89 -28.204 16.062 -8.735 1.00 1.43 C ATOM 1152 C LEU A 89 -27.504 17.096 -7.858 1.00 71.42 C ATOM 1153 O LEU A 89 -28.034 17.514 -6.830 1.00 21.03 O ATOM 1154 CB LEU A 89 -27.861 14.651 -8.251 1.00 21.41 C ATOM 1155 CG LEU A 89 -28.356 14.281 -6.852 1.00 64.24 C ATOM 1156 CD1 LEU A 89 -29.716 14.908 -6.586 1.00 12.33 C ATOM 1157 CD2 LEU A 89 -28.424 12.770 -6.693 1.00 73.23 C ATOM 0 H LEU A 89 -27.522 15.363 -10.590 1.00 14.22 H new ATOM 0 HA LEU A 89 -29.280 16.215 -8.656 1.00 1.43 H new ATOM 0 HB2 LEU A 89 -28.274 13.935 -8.962 1.00 21.41 H new ATOM 0 HB3 LEU A 89 -26.777 14.534 -8.274 1.00 21.41 H new ATOM 0 HG LEU A 89 -27.648 14.672 -6.121 1.00 64.24 H new ATOM 0 HD11 LEU A 89 -30.053 14.635 -5.586 1.00 12.33 H new ATOM 0 HD12 LEU A 89 -29.637 15.993 -6.658 1.00 12.33 H new ATOM 0 HD13 LEU A 89 -30.434 14.547 -7.323 1.00 12.33 H new ATOM 0 HD21 LEU A 89 -28.778 12.525 -5.692 1.00 73.23 H new ATOM 0 HD22 LEU A 89 -29.111 12.357 -7.432 1.00 73.23 H new ATOM 0 HD23 LEU A 89 -27.432 12.344 -6.841 1.00 73.23 H new ATOM 1168 N ASN A 90 -26.311 17.507 -8.277 1.00 12.44 N ATOM 1169 CA ASN A 90 -25.538 18.494 -7.531 1.00 44.44 C ATOM 1170 C ASN A 90 -25.804 19.902 -8.056 1.00 73.14 C ATOM 1171 O ASN A 90 -26.234 20.782 -7.312 1.00 21.42 O ATOM 1172 CB ASN A 90 -24.044 18.177 -7.621 1.00 65.13 C ATOM 1173 CG ASN A 90 -23.278 18.653 -6.403 1.00 33.52 C ATOM 1174 OD1 ASN A 90 -22.892 19.819 -6.315 1.00 34.13 O ATOM 1175 ND2 ASN A 90 -23.053 17.749 -5.455 1.00 64.00 N ATOM 0 H ASN A 90 -25.859 17.172 -9.128 1.00 12.44 H new ATOM 0 HA ASN A 90 -25.849 18.450 -6.487 1.00 44.44 H new ATOM 0 HB2 ASN A 90 -23.910 17.101 -7.734 1.00 65.13 H new ATOM 0 HB3 ASN A 90 -23.629 18.645 -8.514 1.00 65.13 H new ATOM 0 HD21 ASN A 90 -22.542 18.010 -4.612 1.00 64.00 H new ATOM 0 HD22 ASN A 90 -23.392 16.794 -5.570 1.00 64.00 H new ATOM 1181 N ASP A 91 -25.544 20.105 -9.344 1.00 44.30 N ATOM 1182 CA ASP A 91 -25.757 21.405 -9.970 1.00 20.21 C ATOM 1183 C ASP A 91 -27.231 21.796 -9.925 1.00 15.12 C ATOM 1184 O ASP A 91 -27.576 22.970 -10.054 1.00 53.13 O ATOM 1185 CB ASP A 91 -25.267 21.383 -11.419 1.00 2.23 C ATOM 1186 CG ASP A 91 -23.789 21.059 -11.526 1.00 44.42 C ATOM 1187 OD1 ASP A 91 -23.084 21.167 -10.501 1.00 52.10 O ATOM 1188 OD2 ASP A 91 -23.339 20.700 -12.634 1.00 55.44 O ATOM 0 H ASP A 91 -25.186 19.387 -9.974 1.00 44.30 H new ATOM 0 HA ASP A 91 -25.186 22.147 -9.412 1.00 20.21 H new ATOM 0 HB2 ASP A 91 -25.839 20.646 -11.982 1.00 2.23 H new ATOM 0 HB3 ASP A 91 -25.458 22.353 -11.879 1.00 2.23 H new ATOM 1192 N ALA A 92 -28.096 20.804 -9.740 1.00 74.42 N ATOM 1193 CA ALA A 92 -29.532 21.044 -9.676 1.00 60.55 C ATOM 1194 C ALA A 92 -29.998 21.209 -8.234 1.00 52.11 C ATOM 1195 O ALA A 92 -30.945 21.944 -7.957 1.00 5.11 O ATOM 1196 CB ALA A 92 -30.287 19.908 -10.351 1.00 65.43 C ATOM 0 H ALA A 92 -27.827 19.826 -9.632 1.00 74.42 H new ATOM 0 HA ALA A 92 -29.744 21.972 -10.206 1.00 60.55 H new ATOM 0 HB1 ALA A 92 -31.359 20.100 -10.296 1.00 65.43 H new ATOM 0 HB2 ALA A 92 -29.984 19.840 -11.396 1.00 65.43 H new ATOM 0 HB3 ALA A 92 -30.060 18.969 -9.845 1.00 65.43 H new ATOM 1202 N VAL A 93 -29.326 20.519 -7.318 1.00 43.23 N ATOM 1203 CA VAL A 93 -29.671 20.589 -5.903 1.00 42.23 C ATOM 1204 C VAL A 93 -28.636 21.393 -5.124 1.00 63.33 C ATOM 1205 O VAL A 93 -28.947 22.441 -4.560 1.00 34.53 O ATOM 1206 CB VAL A 93 -29.786 19.184 -5.283 1.00 1.24 C ATOM 1207 CG1 VAL A 93 -30.330 19.269 -3.865 1.00 51.42 C ATOM 1208 CG2 VAL A 93 -30.664 18.291 -6.147 1.00 73.12 C ATOM 0 H VAL A 93 -28.540 19.905 -7.530 1.00 43.23 H new ATOM 0 HA VAL A 93 -30.638 21.087 -5.838 1.00 42.23 H new ATOM 0 HB VAL A 93 -28.790 18.743 -5.239 1.00 1.24 H new ATOM 0 HG11 VAL A 93 -30.404 18.267 -3.443 1.00 51.42 H new ATOM 0 HG12 VAL A 93 -29.658 19.871 -3.253 1.00 51.42 H new ATOM 0 HG13 VAL A 93 -31.318 19.730 -3.881 1.00 51.42 H new ATOM 0 HG21 VAL A 93 -30.734 17.302 -5.694 1.00 73.12 H new ATOM 0 HG22 VAL A 93 -31.660 18.726 -6.225 1.00 73.12 H new ATOM 0 HG23 VAL A 93 -30.227 18.204 -7.142 1.00 73.12 H new ATOM 1218 N GLU A 94 -27.404 20.894 -5.099 1.00 41.41 N ATOM 1219 CA GLU A 94 -26.322 21.567 -4.390 1.00 5.54 C ATOM 1220 C GLU A 94 -26.189 23.016 -4.848 1.00 12.55 C ATOM 1221 O GLU A 94 -25.954 23.915 -4.040 1.00 24.15 O ATOM 1222 CB GLU A 94 -25.001 20.828 -4.608 1.00 73.51 C ATOM 1223 CG GLU A 94 -24.198 20.625 -3.335 1.00 24.24 C ATOM 1224 CD GLU A 94 -23.972 19.162 -3.013 1.00 13.22 C ATOM 1225 OE1 GLU A 94 -24.939 18.377 -3.110 1.00 71.13 O ATOM 1226 OE2 GLU A 94 -22.829 18.799 -2.664 1.00 64.41 O ATOM 0 H GLU A 94 -27.131 20.027 -5.561 1.00 41.41 H new ATOM 0 HA GLU A 94 -26.561 21.561 -3.327 1.00 5.54 H new ATOM 0 HB2 GLU A 94 -25.208 19.856 -5.055 1.00 73.51 H new ATOM 0 HB3 GLU A 94 -24.397 21.386 -5.323 1.00 73.51 H new ATOM 0 HG2 GLU A 94 -23.234 21.124 -3.435 1.00 24.24 H new ATOM 0 HG3 GLU A 94 -24.718 21.100 -2.503 1.00 24.24 H new ATOM 1231 N TYR A 95 -26.341 23.236 -6.149 1.00 14.52 N ATOM 1232 CA TYR A 95 -26.235 24.574 -6.716 1.00 11.02 C ATOM 1233 C TYR A 95 -27.529 25.356 -6.513 1.00 71.44 C ATOM 1234 O TYR A 95 -27.514 26.494 -6.044 1.00 52.12 O ATOM 1235 CB TYR A 95 -25.902 24.495 -8.207 1.00 54.41 C ATOM 1236 CG TYR A 95 -26.125 25.793 -8.948 1.00 14.23 C ATOM 1237 CD1 TYR A 95 -25.192 26.821 -8.884 1.00 71.43 C ATOM 1238 CD2 TYR A 95 -27.269 25.993 -9.710 1.00 53.21 C ATOM 1239 CE1 TYR A 95 -25.392 28.010 -9.559 1.00 12.25 C ATOM 1240 CE2 TYR A 95 -27.477 27.178 -10.389 1.00 71.21 C ATOM 1241 CZ TYR A 95 -26.536 28.183 -10.310 1.00 63.22 C ATOM 1242 OH TYR A 95 -26.739 29.366 -10.984 1.00 40.12 O ATOM 0 H TYR A 95 -26.538 22.504 -6.831 1.00 14.52 H new ATOM 0 HA TYR A 95 -25.431 25.097 -6.199 1.00 11.02 H new ATOM 0 HB2 TYR A 95 -24.860 24.195 -8.322 1.00 54.41 H new ATOM 0 HB3 TYR A 95 -26.511 23.716 -8.666 1.00 54.41 H new ATOM 0 HD1 TYR A 95 -24.295 26.688 -8.297 1.00 71.43 H new ATOM 0 HD2 TYR A 95 -28.009 25.209 -9.773 1.00 53.21 H new ATOM 0 HE1 TYR A 95 -24.657 28.799 -9.499 1.00 12.25 H new ATOM 0 HE2 TYR A 95 -28.371 27.317 -10.978 1.00 71.21 H new ATOM 0 HH TYR A 95 -27.591 29.326 -11.466 1.00 40.12 H new ATOM 1251 N VAL A 96 -28.649 24.735 -6.871 1.00 42.51 N ATOM 1252 CA VAL A 96 -29.953 25.370 -6.728 1.00 44.21 C ATOM 1253 C VAL A 96 -30.463 25.264 -5.295 1.00 53.52 C ATOM 1254 O VAL A 96 -30.594 26.267 -4.595 1.00 65.33 O ATOM 1255 CB VAL A 96 -30.990 24.742 -7.678 1.00 44.45 C ATOM 1256 CG1 VAL A 96 -32.215 25.638 -7.800 1.00 54.51 C ATOM 1257 CG2 VAL A 96 -30.374 24.482 -9.043 1.00 33.20 C ATOM 0 H VAL A 96 -28.679 23.793 -7.262 1.00 42.51 H new ATOM 0 HA VAL A 96 -29.823 26.421 -6.987 1.00 44.21 H new ATOM 0 HB VAL A 96 -31.307 23.787 -7.260 1.00 44.45 H new ATOM 0 HG11 VAL A 96 -32.937 25.178 -8.475 1.00 54.51 H new ATOM 0 HG12 VAL A 96 -32.669 25.769 -6.818 1.00 54.51 H new ATOM 0 HG13 VAL A 96 -31.917 26.610 -8.194 1.00 54.51 H new ATOM 0 HG21 VAL A 96 -31.121 24.038 -9.701 1.00 33.20 H new ATOM 0 HG22 VAL A 96 -30.027 25.423 -9.471 1.00 33.20 H new ATOM 0 HG23 VAL A 96 -29.532 23.798 -8.938 1.00 33.20 H new ATOM 1267 N SER A 97 -30.747 24.039 -4.864 1.00 43.53 N ATOM 1268 CA SER A 97 -31.246 23.800 -3.514 1.00 63.31 C ATOM 1269 C SER A 97 -30.302 24.396 -2.474 1.00 45.32 C ATOM 1270 O SER A 97 -30.712 24.714 -1.358 1.00 64.53 O ATOM 1271 CB SER A 97 -31.412 22.299 -3.267 1.00 41.22 C ATOM 1272 OG SER A 97 -32.509 22.042 -2.408 1.00 62.41 O ATOM 0 H SER A 97 -30.640 23.197 -5.430 1.00 43.53 H new ATOM 0 HA SER A 97 -32.217 24.286 -3.420 1.00 63.31 H new ATOM 0 HB2 SER A 97 -31.562 21.785 -4.217 1.00 41.22 H new ATOM 0 HB3 SER A 97 -30.500 21.897 -2.827 1.00 41.22 H new ATOM 0 HG SER A 97 -32.595 21.076 -2.267 1.00 62.41 H new ATOM 1277 N GLY A 98 -29.035 24.545 -2.848 1.00 22.10 N ATOM 1278 CA GLY A 98 -28.053 25.103 -1.938 1.00 23.04 C ATOM 1279 C GLY A 98 -28.062 26.619 -1.932 1.00 70.05 C ATOM 1280 O GLY A 98 -27.638 27.246 -0.960 1.00 75.45 O ATOM 0 H GLY A 98 -28.671 24.289 -3.766 1.00 22.10 H new ATOM 0 HA2 GLY A 98 -28.248 24.738 -0.930 1.00 23.04 H new ATOM 0 HA3 GLY A 98 -27.061 24.750 -2.218 1.00 23.04 H new ATOM 1283 N ARG A 99 -28.544 27.210 -3.020 1.00 43.44 N ATOM 1284 CA ARG A 99 -28.604 28.662 -3.138 1.00 62.01 C ATOM 1285 C ARG A 99 -29.911 29.201 -2.565 1.00 70.22 C ATOM 1286 O ARG A 99 -29.974 30.338 -2.097 1.00 63.45 O ATOM 1287 CB ARG A 99 -28.465 29.082 -4.603 1.00 14.34 C ATOM 1288 CG ARG A 99 -27.026 29.305 -5.038 1.00 63.51 C ATOM 1289 CD ARG A 99 -26.748 30.776 -5.309 1.00 75.53 C ATOM 1290 NE ARG A 99 -25.432 31.183 -4.824 1.00 52.13 N ATOM 1291 CZ ARG A 99 -24.788 32.260 -5.262 1.00 43.31 C ATOM 1292 NH1 ARG A 99 -25.337 33.033 -6.188 1.00 61.12 N ATOM 1293 NH2 ARG A 99 -23.594 32.565 -4.771 1.00 21.10 N ATOM 0 H ARG A 99 -28.899 26.706 -3.833 1.00 43.44 H new ATOM 0 HA ARG A 99 -27.777 29.082 -2.566 1.00 62.01 H new ATOM 0 HB2 ARG A 99 -28.913 28.316 -5.236 1.00 14.34 H new ATOM 0 HB3 ARG A 99 -29.031 29.999 -4.765 1.00 14.34 H new ATOM 0 HG2 ARG A 99 -26.350 28.942 -4.263 1.00 63.51 H new ATOM 0 HG3 ARG A 99 -26.822 28.723 -5.937 1.00 63.51 H new ATOM 0 HD2 ARG A 99 -26.814 30.966 -6.380 1.00 75.53 H new ATOM 0 HD3 ARG A 99 -27.515 31.384 -4.829 1.00 75.53 H new ATOM 0 HE ARG A 99 -24.983 30.609 -4.110 1.00 52.13 H new ATOM 0 HH11 ARG A 99 -26.256 32.802 -6.566 1.00 61.12 H new ATOM 0 HH12 ARG A 99 -24.841 33.859 -6.523 1.00 61.12 H new ATOM 0 HH21 ARG A 99 -23.170 31.973 -4.057 1.00 21.10 H new ATOM 0 HH22 ARG A 99 -23.100 33.392 -5.107 1.00 21.10 H new ATOM 1304 N VAL A 100 -30.953 28.377 -2.606 1.00 0.11 N ATOM 1305 CA VAL A 100 -32.259 28.770 -2.090 1.00 51.13 C ATOM 1306 C VAL A 100 -32.336 28.576 -0.580 1.00 23.52 C ATOM 1307 O VAL A 100 -33.002 29.338 0.122 1.00 32.35 O ATOM 1308 CB VAL A 100 -33.391 27.966 -2.758 1.00 5.34 C ATOM 1309 CG1 VAL A 100 -33.405 26.535 -2.244 1.00 71.13 C ATOM 1310 CG2 VAL A 100 -34.735 28.639 -2.519 1.00 21.55 C ATOM 0 H VAL A 100 -30.918 27.433 -2.991 1.00 0.11 H new ATOM 0 HA VAL A 100 -32.386 29.827 -2.324 1.00 51.13 H new ATOM 0 HB VAL A 100 -33.209 27.939 -3.832 1.00 5.34 H new ATOM 0 HG11 VAL A 100 -34.211 25.983 -2.727 1.00 71.13 H new ATOM 0 HG12 VAL A 100 -32.452 26.058 -2.470 1.00 71.13 H new ATOM 0 HG13 VAL A 100 -33.562 26.537 -1.165 1.00 71.13 H new ATOM 0 HG21 VAL A 100 -35.523 28.058 -2.998 1.00 21.55 H new ATOM 0 HG22 VAL A 100 -34.927 28.698 -1.448 1.00 21.55 H new ATOM 0 HG23 VAL A 100 -34.719 29.644 -2.940 1.00 21.55 H new ATOM 1320 N HIS A 101 -31.649 27.552 -0.086 1.00 52.41 N ATOM 1321 CA HIS A 101 -31.638 27.257 1.343 1.00 22.35 C ATOM 1322 C HIS A 101 -30.426 27.891 2.019 1.00 32.45 C ATOM 1323 O HIS A 101 -30.520 28.402 3.134 1.00 51.35 O ATOM 1324 CB HIS A 101 -31.631 25.745 1.574 1.00 2.34 C ATOM 1325 CG HIS A 101 -31.922 25.355 2.991 1.00 64.22 C ATOM 1326 ND1 HIS A 101 -33.150 25.546 3.587 1.00 43.43 N ATOM 1327 CD2 HIS A 101 -31.135 24.779 3.930 1.00 63.22 C ATOM 1328 CE1 HIS A 101 -33.106 25.106 4.832 1.00 5.31 C ATOM 1329 NE2 HIS A 101 -31.894 24.635 5.064 1.00 2.52 N ATOM 0 H HIS A 101 -31.093 26.912 -0.653 1.00 52.41 H new ATOM 0 HA HIS A 101 -32.541 27.680 1.783 1.00 22.35 H new ATOM 0 HB2 HIS A 101 -32.369 25.282 0.919 1.00 2.34 H new ATOM 0 HB3 HIS A 101 -30.657 25.346 1.289 1.00 2.34 H new ATOM 0 HD2 HIS A 101 -30.102 24.487 3.809 1.00 63.22 H new ATOM 0 HE1 HIS A 101 -33.922 25.128 5.539 1.00 5.31 H new ATOM 0 HE2 HIS A 101 -31.574 24.230 5.944 1.00 2.52 H new