USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=14 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=-0.00497 X(o=-0.005,f=-0.11) USER MOD Set 1.2: A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ 170:sc= -0.0104 (180deg=-0.146) 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=0.46) USER MOD Single : A 50 LYS NZ :NH3+ -173:sc= 0.459 (180deg=0.434) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -163:sc= -0.0127 (180deg=-0.205) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.482 F(o=-2,f=-0.48) USER MOD Single : A 77 GLN : amide:sc= -1.46 K(o=-1.5,f=-2.2) 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+ -174:sc= -0.0766 (180deg=-0.173) USER MOD Single : A 90 ASN : amide:sc= -3.55 K(o=-3.5,f=-8.8!) 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= -0.017 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.507 31.521 17.804 1.00 53.21 N ATOM 281 CA LYS A 23 -6.728 30.993 17.208 1.00 50.13 C ATOM 282 C LYS A 23 -6.508 30.638 15.741 1.00 33.15 C ATOM 283 O LYS A 23 -6.463 29.463 15.376 1.00 53.25 O ATOM 284 CB LYS A 23 -7.862 32.013 17.331 1.00 43.24 C ATOM 285 CG LYS A 23 -7.414 33.449 17.126 1.00 44.42 C ATOM 286 CD LYS A 23 -8.332 34.188 16.167 1.00 50.03 C ATOM 287 CE LYS A 23 -9.521 34.800 16.892 1.00 51.13 C ATOM 288 NZ LYS A 23 -9.689 36.242 16.563 1.00 45.10 N ATOM 0 HA LYS A 23 -7.002 30.086 17.746 1.00 50.13 H new ATOM 0 HB2 LYS A 23 -8.635 31.775 16.600 1.00 43.24 H new ATOM 0 HB3 LYS A 23 -8.317 31.921 18.317 1.00 43.24 H new ATOM 0 HG2 LYS A 23 -7.396 33.966 18.085 1.00 44.42 H new ATOM 0 HG3 LYS A 23 -6.395 33.461 16.738 1.00 44.42 H new ATOM 0 HD2 LYS A 23 -7.772 34.972 15.658 1.00 50.03 H new ATOM 0 HD3 LYS A 23 -8.687 33.500 15.399 1.00 50.03 H new ATOM 0 HE2 LYS A 23 -10.428 34.258 16.624 1.00 51.13 H new ATOM 0 HE3 LYS A 23 -9.388 34.686 17.968 1.00 51.13 H new ATOM 0 HZ1 LYS A 23 -10.510 36.622 17.077 1.00 45.10 H new ATOM 0 HZ2 LYS A 23 -8.834 36.764 16.842 1.00 45.10 H new ATOM 0 HZ3 LYS A 23 -9.841 36.349 15.540 1.00 45.10 H new ATOM 298 N SER A 24 -6.368 31.660 14.904 1.00 21.31 N ATOM 299 CA SER A 24 -6.153 31.456 13.475 1.00 43.12 C ATOM 300 C SER A 24 -5.150 30.333 13.232 1.00 63.10 C ATOM 301 O SER A 24 -5.203 29.648 12.211 1.00 31.21 O ATOM 302 CB SER A 24 -5.660 32.748 12.822 1.00 11.14 C ATOM 303 OG SER A 24 -6.356 33.008 11.616 1.00 73.23 O ATOM 0 H SER A 24 -6.399 32.639 15.190 1.00 21.31 H new ATOM 0 HA SER A 24 -7.105 31.172 13.026 1.00 43.12 H new ATOM 0 HB2 SER A 24 -5.796 33.582 13.511 1.00 11.14 H new ATOM 0 HB3 SER A 24 -4.592 32.672 12.620 1.00 11.14 H new ATOM 0 HG SER A 24 -6.023 33.840 11.219 1.00 73.23 H new ATOM 308 N TYR A 25 -4.235 30.150 14.179 1.00 61.54 N ATOM 309 CA TYR A 25 -3.217 29.113 14.067 1.00 31.32 C ATOM 310 C TYR A 25 -3.733 27.783 14.608 1.00 54.30 C ATOM 311 O TYR A 25 -3.740 26.774 13.903 1.00 14.30 O ATOM 312 CB TYR A 25 -1.952 29.527 14.821 1.00 63.24 C ATOM 313 CG TYR A 25 -1.323 30.798 14.296 1.00 54.12 C ATOM 314 CD1 TYR A 25 -2.007 32.006 14.344 1.00 51.05 C ATOM 315 CD2 TYR A 25 -0.045 30.789 13.752 1.00 21.11 C ATOM 316 CE1 TYR A 25 -1.436 33.169 13.865 1.00 61.42 C ATOM 317 CE2 TYR A 25 0.535 31.948 13.272 1.00 71.11 C ATOM 318 CZ TYR A 25 -0.165 33.135 13.330 1.00 51.44 C ATOM 319 OH TYR A 25 0.408 34.291 12.852 1.00 65.12 O ATOM 0 H TYR A 25 -4.178 30.707 15.032 1.00 61.54 H new ATOM 0 HA TYR A 25 -2.977 28.987 13.011 1.00 31.32 H new ATOM 0 HB2 TYR A 25 -2.195 29.660 15.875 1.00 63.24 H new ATOM 0 HB3 TYR A 25 -1.223 28.719 14.761 1.00 63.24 H new ATOM 0 HD1 TYR A 25 -3.002 32.036 14.763 1.00 51.05 H new ATOM 0 HD2 TYR A 25 0.505 29.861 13.703 1.00 21.11 H new ATOM 0 HE1 TYR A 25 -1.982 34.100 13.909 1.00 61.42 H new ATOM 0 HE2 TYR A 25 1.531 31.924 12.854 1.00 71.11 H new ATOM 0 HH TYR A 25 1.305 34.094 12.511 1.00 65.12 H new ATOM 328 N ALA A 26 -4.166 27.790 15.865 1.00 64.41 N ATOM 329 CA ALA A 26 -4.687 26.587 16.500 1.00 11.21 C ATOM 330 C ALA A 26 -6.054 26.216 15.938 1.00 62.22 C ATOM 331 O ALA A 26 -6.290 25.069 15.561 1.00 74.21 O ATOM 332 CB ALA A 26 -4.769 26.780 18.007 1.00 44.11 C ATOM 0 H ALA A 26 -4.166 28.616 16.463 1.00 64.41 H new ATOM 0 HA ALA A 26 -4.001 25.767 16.285 1.00 11.21 H new ATOM 0 HB1 ALA A 26 -5.160 25.874 18.469 1.00 44.11 H new ATOM 0 HB2 ALA A 26 -3.775 26.989 18.402 1.00 44.11 H new ATOM 0 HB3 ALA A 26 -5.431 27.616 18.231 1.00 44.11 H new ATOM 338 N GLU A 27 -6.953 27.195 15.884 1.00 32.15 N ATOM 339 CA GLU A 27 -8.298 26.969 15.368 1.00 22.13 C ATOM 340 C GLU A 27 -8.252 26.241 14.028 1.00 1.44 C ATOM 341 O GLU A 27 -8.842 25.173 13.871 1.00 71.10 O ATOM 342 CB GLU A 27 -9.038 28.300 15.213 1.00 14.11 C ATOM 343 CG GLU A 27 -10.507 28.141 14.857 1.00 42.41 C ATOM 344 CD GLU A 27 -11.428 28.555 15.988 1.00 22.11 C ATOM 345 OE1 GLU A 27 -11.153 29.593 16.627 1.00 75.12 O ATOM 346 OE2 GLU A 27 -12.424 27.843 16.233 1.00 0.01 O ATOM 0 H GLU A 27 -6.774 28.151 16.191 1.00 32.15 H new ATOM 0 HA GLU A 27 -8.834 26.344 16.083 1.00 22.13 H new ATOM 0 HB2 GLU A 27 -8.957 28.862 16.144 1.00 14.11 H new ATOM 0 HB3 GLU A 27 -8.547 28.891 14.440 1.00 14.11 H new ATOM 0 HG2 GLU A 27 -10.730 28.740 13.974 1.00 42.41 H new ATOM 0 HG3 GLU A 27 -10.703 27.101 14.595 1.00 42.41 H new ATOM 351 N GLN A 28 -7.545 26.828 13.067 1.00 12.10 N ATOM 352 CA GLN A 28 -7.423 26.235 11.740 1.00 1.43 C ATOM 353 C GLN A 28 -7.064 24.756 11.836 1.00 71.14 C ATOM 354 O GLN A 28 -7.554 23.937 11.059 1.00 41.43 O ATOM 355 CB GLN A 28 -6.364 26.977 10.922 1.00 42.30 C ATOM 356 CG GLN A 28 -6.948 27.893 9.859 1.00 51.21 C ATOM 357 CD GLN A 28 -6.068 27.994 8.629 1.00 52.22 C ATOM 358 OE1 GLN A 28 -4.889 28.336 8.722 1.00 21.35 O ATOM 359 NE2 GLN A 28 -6.637 27.696 7.467 1.00 53.33 N ATOM 0 H GLN A 28 -7.049 27.712 13.182 1.00 12.10 H new ATOM 0 HA GLN A 28 -8.387 26.325 11.239 1.00 1.43 H new ATOM 0 HB2 GLN A 28 -5.743 27.567 11.597 1.00 42.30 H new ATOM 0 HB3 GLN A 28 -5.711 26.248 10.443 1.00 42.30 H new ATOM 0 HG2 GLN A 28 -7.932 27.525 9.568 1.00 51.21 H new ATOM 0 HG3 GLN A 28 -7.092 28.888 10.281 1.00 51.21 H new ATOM 0 HE21 GLN A 28 -7.618 27.417 7.436 1.00 53.33 H new ATOM 0 HE22 GLN A 28 -6.093 27.746 6.605 1.00 53.33 H new ATOM 366 N GLY A 29 -6.205 24.420 12.793 1.00 21.23 N ATOM 367 CA GLY A 29 -5.794 23.041 12.972 1.00 53.44 C ATOM 368 C GLY A 29 -6.899 22.177 13.549 1.00 24.24 C ATOM 369 O GLY A 29 -7.155 21.076 13.062 1.00 65.45 O ATOM 0 H GLY A 29 -5.786 25.080 13.448 1.00 21.23 H new ATOM 0 HA2 GLY A 29 -5.480 22.631 12.012 1.00 53.44 H new ATOM 0 HA3 GLY A 29 -4.927 23.006 13.632 1.00 53.44 H new ATOM 372 N LYS A 30 -7.553 22.676 14.592 1.00 63.12 N ATOM 373 CA LYS A 30 -8.636 21.944 15.237 1.00 3.20 C ATOM 374 C LYS A 30 -9.811 21.757 14.283 1.00 24.10 C ATOM 375 O LYS A 30 -10.344 20.656 14.150 1.00 74.23 O ATOM 376 CB LYS A 30 -9.100 22.682 16.496 1.00 11.11 C ATOM 377 CG LYS A 30 -8.709 21.987 17.788 1.00 12.41 C ATOM 378 CD LYS A 30 -8.248 22.981 18.840 1.00 21.22 C ATOM 379 CE LYS A 30 -6.943 23.651 18.440 1.00 24.50 C ATOM 380 NZ LYS A 30 -5.897 23.502 19.490 1.00 62.22 N ATOM 0 H LYS A 30 -7.352 23.585 15.009 1.00 63.12 H new ATOM 0 HA LYS A 30 -8.259 20.961 15.518 1.00 3.20 H new ATOM 0 HB2 LYS A 30 -8.680 23.688 16.493 1.00 11.11 H new ATOM 0 HB3 LYS A 30 -10.184 22.789 16.465 1.00 11.11 H new ATOM 0 HG2 LYS A 30 -9.559 21.421 18.169 1.00 12.41 H new ATOM 0 HG3 LYS A 30 -7.912 21.270 17.590 1.00 12.41 H new ATOM 0 HD2 LYS A 30 -9.017 23.739 18.987 1.00 21.22 H new ATOM 0 HD3 LYS A 30 -8.118 22.469 19.794 1.00 21.22 H new ATOM 0 HE2 LYS A 30 -6.584 23.218 17.506 1.00 24.50 H new ATOM 0 HE3 LYS A 30 -7.121 24.710 18.253 1.00 24.50 H new ATOM 0 HZ1 LYS A 30 -4.981 23.820 19.115 1.00 62.22 H new ATOM 0 HZ2 LYS A 30 -6.151 24.079 20.317 1.00 62.22 H new ATOM 0 HZ3 LYS A 30 -5.828 22.503 19.772 1.00 62.22 H new ATOM 390 N GLU A 31 -10.209 22.839 13.622 1.00 21.25 N ATOM 391 CA GLU A 31 -11.321 22.793 12.680 1.00 0.31 C ATOM 392 C GLU A 31 -11.226 21.559 11.787 1.00 44.34 C ATOM 393 O GLU A 31 -12.242 20.979 11.402 1.00 34.42 O ATOM 394 CB GLU A 31 -11.342 24.057 11.819 1.00 23.21 C ATOM 395 CG GLU A 31 -11.621 25.326 12.608 1.00 11.34 C ATOM 396 CD GLU A 31 -12.864 26.050 12.128 1.00 30.03 C ATOM 397 OE1 GLU A 31 -12.870 26.511 10.967 1.00 13.30 O ATOM 398 OE2 GLU A 31 -13.829 26.157 12.913 1.00 23.53 O ATOM 0 H GLU A 31 -9.778 23.758 13.721 1.00 21.25 H new ATOM 0 HA GLU A 31 -12.247 22.737 13.253 1.00 0.31 H new ATOM 0 HB2 GLU A 31 -10.382 24.158 11.313 1.00 23.21 H new ATOM 0 HB3 GLU A 31 -12.101 23.946 11.044 1.00 23.21 H new ATOM 0 HG2 GLU A 31 -11.735 25.076 13.663 1.00 11.34 H new ATOM 0 HG3 GLU A 31 -10.763 25.994 12.530 1.00 11.34 H new ATOM 403 N TYR A 32 -10.000 21.163 11.463 1.00 45.43 N ATOM 404 CA TYR A 32 -9.773 20.000 10.614 1.00 33.43 C ATOM 405 C TYR A 32 -9.958 18.706 11.401 1.00 32.00 C ATOM 406 O TYR A 32 -10.513 17.732 10.892 1.00 4.11 O ATOM 407 CB TYR A 32 -8.366 20.048 10.014 1.00 25.24 C ATOM 408 CG TYR A 32 -7.989 18.798 9.252 1.00 45.32 C ATOM 409 CD1 TYR A 32 -7.795 17.591 9.913 1.00 71.43 C ATOM 410 CD2 TYR A 32 -7.826 18.823 7.873 1.00 3.31 C ATOM 411 CE1 TYR A 32 -7.451 16.445 9.221 1.00 12.03 C ATOM 412 CE2 TYR A 32 -7.483 17.683 7.173 1.00 2.24 C ATOM 413 CZ TYR A 32 -7.296 16.496 7.852 1.00 63.21 C ATOM 414 OH TYR A 32 -6.952 15.359 7.158 1.00 2.20 O ATOM 0 H TYR A 32 -9.149 21.630 11.775 1.00 45.43 H new ATOM 0 HA TYR A 32 -10.506 20.022 9.808 1.00 33.43 H new ATOM 0 HB2 TYR A 32 -8.294 20.906 9.346 1.00 25.24 H new ATOM 0 HB3 TYR A 32 -7.644 20.207 10.815 1.00 25.24 H new ATOM 0 HD1 TYR A 32 -7.915 17.548 10.985 1.00 71.43 H new ATOM 0 HD2 TYR A 32 -7.970 19.750 7.339 1.00 3.31 H new ATOM 0 HE1 TYR A 32 -7.304 15.515 9.750 1.00 12.03 H new ATOM 0 HE2 TYR A 32 -7.362 17.720 6.100 1.00 2.24 H new ATOM 0 HH TYR A 32 -6.884 15.567 6.203 1.00 2.20 H new ATOM 423 N ILE A 33 -9.489 18.705 12.644 1.00 24.02 N ATOM 424 CA ILE A 33 -9.604 17.534 13.503 1.00 75.15 C ATOM 425 C ILE A 33 -11.005 17.421 14.095 1.00 3.44 C ATOM 426 O ILE A 33 -11.713 16.441 13.863 1.00 42.02 O ATOM 427 CB ILE A 33 -8.575 17.571 14.648 1.00 3.31 C ATOM 428 CG1 ILE A 33 -7.204 17.110 14.148 1.00 64.31 C ATOM 429 CG2 ILE A 33 -9.041 16.703 15.807 1.00 40.53 C ATOM 430 CD1 ILE A 33 -6.579 18.053 13.143 1.00 43.33 C ATOM 0 H ILE A 33 -9.025 19.503 13.079 1.00 24.02 H new ATOM 0 HA ILE A 33 -9.406 16.664 12.877 1.00 75.15 H new ATOM 0 HB ILE A 33 -8.485 18.598 15.002 1.00 3.31 H new ATOM 0 HG12 ILE A 33 -6.533 17.003 15.000 1.00 64.31 H new ATOM 0 HG13 ILE A 33 -7.304 16.124 13.695 1.00 64.31 H new ATOM 0 HG21 ILE A 33 -8.303 16.739 16.608 1.00 40.53 H new ATOM 0 HG22 ILE A 33 -9.997 17.073 16.177 1.00 40.53 H new ATOM 0 HG23 ILE A 33 -9.157 15.674 15.467 1.00 40.53 H new ATOM 0 HD11 ILE A 33 -5.610 17.663 12.832 1.00 43.33 H new ATOM 0 HD12 ILE A 33 -7.230 18.142 12.273 1.00 43.33 H new ATOM 0 HD13 ILE A 33 -6.447 19.034 13.598 1.00 43.33 H new ATOM 441 N THR A 34 -11.399 18.433 14.861 1.00 64.34 N ATOM 442 CA THR A 34 -12.715 18.450 15.487 1.00 41.14 C ATOM 443 C THR A 34 -13.737 17.699 14.639 1.00 4.54 C ATOM 444 O THR A 34 -14.476 16.855 15.145 1.00 54.04 O ATOM 445 CB THR A 34 -13.212 19.890 15.713 1.00 50.22 C ATOM 446 OG1 THR A 34 -14.605 19.881 16.047 1.00 30.35 O ATOM 447 CG2 THR A 34 -12.988 20.741 14.472 1.00 72.22 C ATOM 0 H THR A 34 -10.825 19.252 15.063 1.00 64.34 H new ATOM 0 HA THR A 34 -12.612 17.954 16.452 1.00 41.14 H new ATOM 0 HB THR A 34 -12.644 20.322 16.537 1.00 50.22 H new ATOM 0 HG1 THR A 34 -14.913 20.800 16.191 1.00 30.35 H new ATOM 0 HG21 THR A 34 -13.347 21.754 14.656 1.00 72.22 H new ATOM 0 HG22 THR A 34 -11.924 20.770 14.238 1.00 72.22 H new ATOM 0 HG23 THR A 34 -13.533 20.310 13.632 1.00 72.22 H new ATOM 604 N PRO A 46 -12.224 -0.083 21.056 1.00 64.52 N ATOM 605 CA PRO A 46 -12.110 -1.450 20.541 1.00 13.11 C ATOM 606 C PRO A 46 -13.233 -2.353 21.038 1.00 64.12 C ATOM 607 O PRO A 46 -13.488 -3.412 20.468 1.00 73.13 O ATOM 608 CB PRO A 46 -10.761 -1.924 21.089 1.00 3.23 C ATOM 609 CG PRO A 46 -10.540 -1.102 22.313 1.00 73.42 C ATOM 610 CD PRO A 46 -11.169 0.235 22.032 1.00 34.12 C ATOM 0 HA PRO A 46 -12.180 -1.483 19.454 1.00 13.11 H new ATOM 0 HB2 PRO A 46 -10.781 -2.988 21.325 1.00 3.23 H new ATOM 0 HB3 PRO A 46 -9.963 -1.774 20.362 1.00 3.23 H new ATOM 0 HG2 PRO A 46 -10.994 -1.571 23.186 1.00 73.42 H new ATOM 0 HG3 PRO A 46 -9.476 -0.996 22.525 1.00 73.42 H new ATOM 0 HD2 PRO A 46 -11.580 0.684 22.936 1.00 34.12 H new ATOM 0 HD3 PRO A 46 -10.446 0.942 21.626 1.00 34.12 H new ATOM 615 N GLU A 47 -13.902 -1.925 22.105 1.00 11.03 N ATOM 616 CA GLU A 47 -14.999 -2.696 22.678 1.00 14.20 C ATOM 617 C GLU A 47 -16.330 -2.301 22.046 1.00 70.41 C ATOM 618 O GLU A 47 -17.381 -2.834 22.404 1.00 24.21 O ATOM 619 CB GLU A 47 -15.060 -2.490 24.192 1.00 3.24 C ATOM 620 CG GLU A 47 -13.702 -2.554 24.871 1.00 53.11 C ATOM 621 CD GLU A 47 -13.800 -2.910 26.342 1.00 73.34 C ATOM 622 OE1 GLU A 47 -14.935 -3.007 26.855 1.00 73.23 O ATOM 623 OE2 GLU A 47 -12.742 -3.092 26.980 1.00 53.32 O ATOM 0 H GLU A 47 -13.703 -1.049 22.589 1.00 11.03 H new ATOM 0 HA GLU A 47 -14.816 -3.750 22.469 1.00 14.20 H new ATOM 0 HB2 GLU A 47 -15.516 -1.522 24.400 1.00 3.24 H new ATOM 0 HB3 GLU A 47 -15.710 -3.249 24.627 1.00 3.24 H new ATOM 0 HG2 GLU A 47 -13.081 -3.292 24.363 1.00 53.11 H new ATOM 0 HG3 GLU A 47 -13.202 -1.591 24.767 1.00 53.11 H new ATOM 628 N ASP A 48 -16.277 -1.366 21.104 1.00 2.03 N ATOM 629 CA ASP A 48 -17.478 -0.899 20.421 1.00 61.11 C ATOM 630 C ASP A 48 -17.841 -1.827 19.267 1.00 63.12 C ATOM 631 O ASP A 48 -18.778 -1.561 18.515 1.00 60.32 O ATOM 632 CB ASP A 48 -17.275 0.525 19.902 1.00 2.12 C ATOM 633 CG ASP A 48 -18.544 1.118 19.324 1.00 41.53 C ATOM 634 OD1 ASP A 48 -19.477 1.397 20.106 1.00 63.10 O ATOM 635 OD2 ASP A 48 -18.606 1.302 18.091 1.00 51.04 O ATOM 0 H ASP A 48 -15.415 -0.916 20.796 1.00 2.03 H new ATOM 0 HA ASP A 48 -18.299 -0.902 21.138 1.00 61.11 H new ATOM 0 HB2 ASP A 48 -16.920 1.158 20.715 1.00 2.12 H new ATOM 0 HB3 ASP A 48 -16.498 0.522 19.138 1.00 2.12 H new ATOM 639 N ASN A 49 -17.092 -2.917 19.132 1.00 62.42 N ATOM 640 CA ASN A 49 -17.335 -3.884 18.067 1.00 50.00 C ATOM 641 C ASN A 49 -18.787 -4.354 18.080 1.00 33.13 C ATOM 642 O ASN A 49 -19.336 -4.736 17.047 1.00 20.12 O ATOM 643 CB ASN A 49 -16.398 -5.084 18.216 1.00 11.02 C ATOM 644 CG ASN A 49 -16.027 -5.698 16.880 1.00 20.13 C ATOM 645 OD1 ASN A 49 -16.882 -5.894 16.016 1.00 45.15 O ATOM 646 ND2 ASN A 49 -14.747 -6.004 16.704 1.00 1.10 N ATOM 0 H ASN A 49 -16.312 -3.153 19.746 1.00 62.42 H new ATOM 0 HA ASN A 49 -17.138 -3.394 17.113 1.00 50.00 H new ATOM 0 HB2 ASN A 49 -15.491 -4.771 18.733 1.00 11.02 H new ATOM 0 HB3 ASN A 49 -16.876 -5.839 18.840 1.00 11.02 H new ATOM 0 HD21 ASN A 49 -14.438 -6.419 15.825 1.00 1.10 H new ATOM 0 HD22 ASN A 49 -14.073 -5.824 17.448 1.00 1.10 H new ATOM 652 N LYS A 50 -19.403 -4.323 19.257 1.00 20.40 N ATOM 653 CA LYS A 50 -20.790 -4.743 19.405 1.00 40.45 C ATOM 654 C LYS A 50 -21.690 -3.551 19.713 1.00 41.44 C ATOM 655 O LYS A 50 -22.899 -3.597 19.483 1.00 20.55 O ATOM 656 CB LYS A 50 -20.913 -5.788 20.518 1.00 32.23 C ATOM 657 CG LYS A 50 -21.035 -5.186 21.907 1.00 63.45 C ATOM 658 CD LYS A 50 -19.755 -4.486 22.327 1.00 1.21 C ATOM 659 CE LYS A 50 -19.493 -4.649 23.817 1.00 33.42 C ATOM 660 NZ LYS A 50 -19.337 -3.336 24.500 1.00 11.34 N ATOM 0 H LYS A 50 -18.962 -4.011 20.122 1.00 20.40 H new ATOM 0 HA LYS A 50 -21.111 -5.185 18.462 1.00 40.45 H new ATOM 0 HB2 LYS A 50 -21.785 -6.412 20.324 1.00 32.23 H new ATOM 0 HB3 LYS A 50 -20.041 -6.441 20.490 1.00 32.23 H new ATOM 0 HG2 LYS A 50 -21.862 -4.476 21.925 1.00 63.45 H new ATOM 0 HG3 LYS A 50 -21.274 -5.971 22.625 1.00 63.45 H new ATOM 0 HD2 LYS A 50 -18.915 -4.891 21.762 1.00 1.21 H new ATOM 0 HD3 LYS A 50 -19.822 -3.426 22.082 1.00 1.21 H new ATOM 0 HE2 LYS A 50 -20.316 -5.199 24.272 1.00 33.42 H new ATOM 0 HE3 LYS A 50 -18.592 -5.244 23.964 1.00 33.42 H new ATOM 0 HZ1 LYS A 50 -19.043 -3.490 25.486 1.00 11.34 H new ATOM 0 HZ2 LYS A 50 -18.615 -2.772 24.008 1.00 11.34 H new ATOM 0 HZ3 LYS A 50 -20.244 -2.827 24.485 1.00 11.34 H new ATOM 670 N GLY A 51 -21.093 -2.483 20.234 1.00 44.24 N ATOM 671 CA GLY A 51 -21.857 -1.293 20.563 1.00 34.25 C ATOM 672 C GLY A 51 -22.706 -0.810 19.405 1.00 31.41 C ATOM 673 O GLY A 51 -23.778 -0.239 19.606 1.00 12.23 O ATOM 0 H GLY A 51 -20.095 -2.420 20.434 1.00 44.24 H new ATOM 0 HA2 GLY A 51 -22.500 -1.503 21.418 1.00 34.25 H new ATOM 0 HA3 GLY A 51 -21.174 -0.499 20.865 1.00 34.25 H new ATOM 676 N VAL A 52 -22.227 -1.039 18.185 1.00 24.04 N ATOM 677 CA VAL A 52 -22.949 -0.623 16.990 1.00 64.04 C ATOM 678 C VAL A 52 -24.296 -1.331 16.887 1.00 34.22 C ATOM 679 O VAL A 52 -25.294 -0.735 16.481 1.00 33.41 O ATOM 680 CB VAL A 52 -22.134 -0.906 15.714 1.00 41.04 C ATOM 681 CG1 VAL A 52 -20.768 -0.244 15.796 1.00 12.54 C ATOM 682 CG2 VAL A 52 -21.998 -2.404 15.491 1.00 53.30 C ATOM 0 H VAL A 52 -21.342 -1.511 18.000 1.00 24.04 H new ATOM 0 HA VAL A 52 -23.112 0.451 17.077 1.00 64.04 H new ATOM 0 HB VAL A 52 -22.665 -0.482 14.862 1.00 41.04 H new ATOM 0 HG11 VAL A 52 -20.206 -0.455 14.886 1.00 12.54 H new ATOM 0 HG12 VAL A 52 -20.892 0.833 15.905 1.00 12.54 H new ATOM 0 HG13 VAL A 52 -20.225 -0.635 16.656 1.00 12.54 H new ATOM 0 HG21 VAL A 52 -21.419 -2.586 14.585 1.00 53.30 H new ATOM 0 HG22 VAL A 52 -21.489 -2.854 16.343 1.00 53.30 H new ATOM 0 HG23 VAL A 52 -22.988 -2.847 15.384 1.00 53.30 H new ATOM 692 N PHE A 53 -24.317 -2.607 17.258 1.00 61.25 N ATOM 693 CA PHE A 53 -25.541 -3.397 17.208 1.00 72.45 C ATOM 694 C PHE A 53 -26.301 -3.310 18.528 1.00 34.13 C ATOM 695 O PHE A 53 -27.448 -3.743 18.625 1.00 51.12 O ATOM 696 CB PHE A 53 -25.216 -4.858 16.889 1.00 51.23 C ATOM 697 CG PHE A 53 -24.881 -5.097 15.445 1.00 11.22 C ATOM 698 CD1 PHE A 53 -25.870 -5.063 14.475 1.00 62.02 C ATOM 699 CD2 PHE A 53 -23.576 -5.355 15.056 1.00 50.53 C ATOM 700 CE1 PHE A 53 -25.564 -5.283 13.146 1.00 62.33 C ATOM 701 CE2 PHE A 53 -23.264 -5.575 13.728 1.00 51.34 C ATOM 702 CZ PHE A 53 -24.260 -5.539 12.772 1.00 33.35 C ATOM 0 H PHE A 53 -23.500 -3.116 17.596 1.00 61.25 H new ATOM 0 HA PHE A 53 -26.174 -2.991 16.419 1.00 72.45 H new ATOM 0 HB2 PHE A 53 -24.376 -5.178 17.506 1.00 51.23 H new ATOM 0 HB3 PHE A 53 -26.068 -5.480 17.163 1.00 51.23 H new ATOM 0 HD1 PHE A 53 -26.892 -4.862 14.761 1.00 62.02 H new ATOM 0 HD2 PHE A 53 -22.794 -5.384 15.800 1.00 50.53 H new ATOM 0 HE1 PHE A 53 -26.344 -5.255 12.400 1.00 62.33 H new ATOM 0 HE2 PHE A 53 -22.243 -5.775 13.438 1.00 51.34 H new ATOM 0 HZ PHE A 53 -24.019 -5.711 11.733 1.00 33.35 H new ATOM 711 N GLN A 54 -25.650 -2.746 19.541 1.00 62.32 N ATOM 712 CA GLN A 54 -26.264 -2.602 20.856 1.00 10.21 C ATOM 713 C GLN A 54 -27.448 -1.642 20.802 1.00 13.10 C ATOM 714 O GLN A 54 -28.498 -1.903 21.390 1.00 61.21 O ATOM 715 CB GLN A 54 -25.233 -2.103 21.871 1.00 73.24 C ATOM 716 CG GLN A 54 -25.842 -1.684 23.200 1.00 34.40 C ATOM 717 CD GLN A 54 -24.950 -2.014 24.380 1.00 73.23 C ATOM 718 OE1 GLN A 54 -24.296 -1.137 24.944 1.00 43.12 O ATOM 719 NE2 GLN A 54 -24.920 -3.287 24.761 1.00 1.11 N ATOM 0 H GLN A 54 -24.699 -2.382 19.476 1.00 62.32 H new ATOM 0 HA GLN A 54 -26.628 -3.581 21.169 1.00 10.21 H new ATOM 0 HB2 GLN A 54 -24.500 -2.890 22.049 1.00 73.24 H new ATOM 0 HB3 GLN A 54 -24.695 -1.256 21.444 1.00 73.24 H new ATOM 0 HG2 GLN A 54 -26.036 -0.611 23.185 1.00 34.40 H new ATOM 0 HG3 GLN A 54 -26.804 -2.180 23.327 1.00 34.40 H new ATOM 0 HE21 GLN A 54 -25.479 -3.981 24.265 1.00 1.11 H new ATOM 0 HE22 GLN A 54 -24.338 -3.570 25.550 1.00 1.11 H new ATOM 726 N GLY A 55 -27.272 -0.531 20.094 1.00 0.12 N ATOM 727 CA GLY A 55 -28.334 0.450 19.977 1.00 2.43 C ATOM 728 C GLY A 55 -29.212 0.214 18.765 1.00 13.02 C ATOM 729 O GLY A 55 -30.298 0.783 18.654 1.00 12.21 O ATOM 0 H GLY A 55 -26.412 -0.293 19.599 1.00 0.12 H new ATOM 0 HA2 GLY A 55 -28.948 0.424 20.877 1.00 2.43 H new ATOM 0 HA3 GLY A 55 -27.898 1.447 19.917 1.00 2.43 H new ATOM 732 N VAL A 56 -28.740 -0.627 17.850 1.00 74.43 N ATOM 733 CA VAL A 56 -29.489 -0.938 16.638 1.00 44.23 C ATOM 734 C VAL A 56 -30.404 -2.139 16.850 1.00 43.40 C ATOM 735 O VAL A 56 -31.608 -2.068 16.600 1.00 23.53 O ATOM 736 CB VAL A 56 -28.547 -1.226 15.454 1.00 40.33 C ATOM 737 CG1 VAL A 56 -29.168 -2.249 14.515 1.00 33.51 C ATOM 738 CG2 VAL A 56 -28.214 0.059 14.713 1.00 74.23 C ATOM 0 H VAL A 56 -27.842 -1.105 17.925 1.00 74.43 H new ATOM 0 HA VAL A 56 -30.094 -0.061 16.406 1.00 44.23 H new ATOM 0 HB VAL A 56 -27.618 -1.643 15.844 1.00 40.33 H new ATOM 0 HG11 VAL A 56 -28.488 -2.440 13.684 1.00 33.51 H new ATOM 0 HG12 VAL A 56 -29.349 -3.177 15.057 1.00 33.51 H new ATOM 0 HG13 VAL A 56 -30.112 -1.864 14.130 1.00 33.51 H new ATOM 0 HG21 VAL A 56 -27.548 -0.164 13.880 1.00 74.23 H new ATOM 0 HG22 VAL A 56 -29.132 0.508 14.334 1.00 74.23 H new ATOM 0 HG23 VAL A 56 -27.724 0.755 15.394 1.00 74.23 H new ATOM 748 N HIS A 57 -29.826 -3.243 17.313 1.00 23.44 N ATOM 749 CA HIS A 57 -30.590 -4.460 17.560 1.00 0.42 C ATOM 750 C HIS A 57 -31.799 -4.172 18.445 1.00 22.42 C ATOM 751 O HIS A 57 -32.917 -4.587 18.138 1.00 3.42 O ATOM 752 CB HIS A 57 -29.704 -5.519 18.217 1.00 1.43 C ATOM 753 CG HIS A 57 -30.228 -6.913 18.070 1.00 34.00 C ATOM 754 ND1 HIS A 57 -29.979 -7.698 16.963 1.00 2.22 N ATOM 755 CD2 HIS A 57 -30.991 -7.665 18.898 1.00 21.35 C ATOM 756 CE1 HIS A 57 -30.567 -8.871 17.116 1.00 50.43 C ATOM 757 NE2 HIS A 57 -31.188 -8.877 18.283 1.00 0.23 N ATOM 0 H HIS A 57 -28.831 -3.319 17.525 1.00 23.44 H new ATOM 0 HA HIS A 57 -30.945 -4.838 16.601 1.00 0.42 H new ATOM 0 HB2 HIS A 57 -28.706 -5.467 17.782 1.00 1.43 H new ATOM 0 HB3 HIS A 57 -29.601 -5.288 19.277 1.00 1.43 H new ATOM 0 HD2 HIS A 57 -31.374 -7.367 19.863 1.00 21.35 H new ATOM 0 HE1 HIS A 57 -30.544 -9.686 16.408 1.00 50.43 H new ATOM 0 HE2 HIS A 57 -31.726 -9.655 18.665 1.00 0.23 H new ATOM 764 N ASP A 58 -31.568 -3.460 19.542 1.00 3.23 N ATOM 765 CA ASP A 58 -32.639 -3.117 20.471 1.00 12.14 C ATOM 766 C ASP A 58 -33.593 -2.103 19.848 1.00 62.24 C ATOM 767 O ASP A 58 -34.755 -2.005 20.245 1.00 25.13 O ATOM 768 CB ASP A 58 -32.056 -2.556 21.769 1.00 54.04 C ATOM 769 CG ASP A 58 -32.966 -2.788 22.959 1.00 40.41 C ATOM 770 OD1 ASP A 58 -33.191 -3.964 23.314 1.00 10.13 O ATOM 771 OD2 ASP A 58 -33.453 -1.793 23.536 1.00 75.31 O ATOM 0 H ASP A 58 -30.649 -3.109 19.810 1.00 3.23 H new ATOM 0 HA ASP A 58 -33.198 -4.026 20.695 1.00 12.14 H new ATOM 0 HB2 ASP A 58 -31.088 -3.020 21.959 1.00 54.04 H new ATOM 0 HB3 ASP A 58 -31.880 -1.487 21.653 1.00 54.04 H new ATOM 775 N SER A 59 -33.096 -1.351 18.871 1.00 52.22 N ATOM 776 CA SER A 59 -33.904 -0.342 18.197 1.00 30.20 C ATOM 777 C SER A 59 -34.782 -0.977 17.123 1.00 42.43 C ATOM 778 O SER A 59 -35.822 -0.431 16.752 1.00 13.23 O ATOM 779 CB SER A 59 -33.005 0.726 17.570 1.00 72.20 C ATOM 780 OG SER A 59 -33.679 1.414 16.531 1.00 60.31 O ATOM 0 H SER A 59 -32.138 -1.422 18.529 1.00 52.22 H new ATOM 0 HA SER A 59 -34.550 0.126 18.940 1.00 30.20 H new ATOM 0 HB2 SER A 59 -32.690 1.435 18.335 1.00 72.20 H new ATOM 0 HB3 SER A 59 -32.102 0.260 17.176 1.00 72.20 H new ATOM 0 HG SER A 59 -33.084 2.092 16.148 1.00 60.31 H new ATOM 785 N ALA A 60 -34.358 -2.135 16.628 1.00 2.12 N ATOM 786 CA ALA A 60 -35.105 -2.846 15.600 1.00 72.44 C ATOM 787 C ALA A 60 -36.142 -3.777 16.219 1.00 70.23 C ATOM 788 O ALA A 60 -36.766 -4.577 15.521 1.00 3.30 O ATOM 789 CB ALA A 60 -34.157 -3.630 14.704 1.00 20.05 C ATOM 0 H ALA A 60 -33.500 -2.601 16.923 1.00 2.12 H new ATOM 0 HA ALA A 60 -35.632 -2.109 14.995 1.00 72.44 H new ATOM 0 HB1 ALA A 60 -34.730 -4.156 13.940 1.00 20.05 H new ATOM 0 HB2 ALA A 60 -33.458 -2.944 14.225 1.00 20.05 H new ATOM 0 HB3 ALA A 60 -33.603 -4.352 15.304 1.00 20.05 H new ATOM 795 N GLU A 61 -36.319 -3.669 17.532 1.00 2.33 N ATOM 796 CA GLU A 61 -37.278 -4.504 18.244 1.00 44.34 C ATOM 797 C GLU A 61 -38.654 -4.433 17.587 1.00 53.12 C ATOM 798 O GLU A 61 -39.429 -5.389 17.637 1.00 74.00 O ATOM 799 CB GLU A 61 -37.379 -4.069 19.709 1.00 34.52 C ATOM 800 CG GLU A 61 -37.980 -2.686 19.892 1.00 52.44 C ATOM 801 CD GLU A 61 -38.174 -2.324 21.352 1.00 51.21 C ATOM 802 OE1 GLU A 61 -37.797 -3.140 22.220 1.00 23.14 O ATOM 803 OE2 GLU A 61 -38.703 -1.227 21.627 1.00 22.13 O ATOM 0 H GLU A 61 -35.811 -3.012 18.124 1.00 2.33 H new ATOM 0 HA GLU A 61 -36.925 -5.534 18.201 1.00 44.34 H new ATOM 0 HB2 GLU A 61 -37.984 -4.794 20.254 1.00 34.52 H new ATOM 0 HB3 GLU A 61 -36.384 -4.086 20.154 1.00 34.52 H new ATOM 0 HG2 GLU A 61 -37.332 -1.947 19.421 1.00 52.44 H new ATOM 0 HG3 GLU A 61 -38.941 -2.640 19.379 1.00 52.44 H new ATOM 808 N LYS A 62 -38.950 -3.295 16.970 1.00 63.44 N ATOM 809 CA LYS A 62 -40.231 -3.098 16.301 1.00 22.04 C ATOM 810 C LYS A 62 -40.213 -3.705 14.902 1.00 61.12 C ATOM 811 O LYS A 62 -41.206 -4.274 14.449 1.00 11.30 O ATOM 812 CB LYS A 62 -40.561 -1.606 16.215 1.00 44.42 C ATOM 813 CG LYS A 62 -39.546 -0.802 15.421 1.00 51.22 C ATOM 814 CD LYS A 62 -39.400 0.608 15.967 1.00 11.53 C ATOM 815 CE LYS A 62 -40.534 1.507 15.499 1.00 2.41 C ATOM 816 NZ LYS A 62 -40.427 1.825 14.049 1.00 21.42 N ATOM 0 H LYS A 62 -38.320 -2.494 16.919 1.00 63.44 H new ATOM 0 HA LYS A 62 -41.000 -3.601 16.888 1.00 22.04 H new ATOM 0 HB2 LYS A 62 -41.544 -1.486 15.759 1.00 44.42 H new ATOM 0 HB3 LYS A 62 -40.626 -1.198 17.224 1.00 44.42 H new ATOM 0 HG2 LYS A 62 -38.580 -1.306 15.449 1.00 51.22 H new ATOM 0 HG3 LYS A 62 -39.853 -0.758 14.376 1.00 51.22 H new ATOM 0 HD2 LYS A 62 -39.384 0.578 17.056 1.00 11.53 H new ATOM 0 HD3 LYS A 62 -38.446 1.027 15.646 1.00 11.53 H new ATOM 0 HE2 LYS A 62 -41.489 1.019 15.694 1.00 2.41 H new ATOM 0 HE3 LYS A 62 -40.525 2.432 16.075 1.00 2.41 H new ATOM 0 HZ1 LYS A 62 -41.025 2.647 13.829 1.00 21.42 H new ATOM 0 HZ2 LYS A 62 -39.438 2.043 13.814 1.00 21.42 H new ATOM 0 HZ3 LYS A 62 -40.744 1.007 13.490 1.00 21.42 H new ATOM 826 N GLY A 63 -39.077 -3.582 14.222 1.00 70.14 N ATOM 827 CA GLY A 63 -38.952 -4.126 12.882 1.00 22.04 C ATOM 828 C GLY A 63 -38.461 -5.560 12.881 1.00 0.52 C ATOM 829 O GLY A 63 -38.095 -6.099 11.838 1.00 34.21 O ATOM 0 H GLY A 63 -38.241 -3.116 14.575 1.00 70.14 H new ATOM 0 HA2 GLY A 63 -39.919 -4.076 12.382 1.00 22.04 H new ATOM 0 HA3 GLY A 63 -38.263 -3.509 12.306 1.00 22.04 H new ATOM 832 N LYS A 64 -38.452 -6.181 14.056 1.00 5.14 N ATOM 833 CA LYS A 64 -38.002 -7.561 14.190 1.00 11.21 C ATOM 834 C LYS A 64 -39.185 -8.524 14.158 1.00 71.33 C ATOM 835 O LYS A 64 -39.136 -9.603 14.749 1.00 25.05 O ATOM 836 CB LYS A 64 -37.220 -7.742 15.493 1.00 30.44 C ATOM 837 CG LYS A 64 -36.316 -8.962 15.496 1.00 73.14 C ATOM 838 CD LYS A 64 -35.108 -8.760 16.394 1.00 3.10 C ATOM 839 CE LYS A 64 -33.884 -9.483 15.854 1.00 43.32 C ATOM 840 NZ LYS A 64 -33.122 -8.640 14.892 1.00 22.24 N ATOM 0 H LYS A 64 -38.752 -5.749 14.930 1.00 5.14 H new ATOM 0 HA LYS A 64 -37.348 -7.786 13.347 1.00 11.21 H new ATOM 0 HB2 LYS A 64 -36.616 -6.852 15.671 1.00 30.44 H new ATOM 0 HB3 LYS A 64 -37.924 -7.820 16.321 1.00 30.44 H new ATOM 0 HG2 LYS A 64 -36.879 -9.832 15.833 1.00 73.14 H new ATOM 0 HG3 LYS A 64 -35.983 -9.172 14.479 1.00 73.14 H new ATOM 0 HD2 LYS A 64 -34.893 -7.695 16.482 1.00 3.10 H new ATOM 0 HD3 LYS A 64 -35.334 -9.124 17.396 1.00 3.10 H new ATOM 0 HE2 LYS A 64 -33.235 -9.766 16.682 1.00 43.32 H new ATOM 0 HE3 LYS A 64 -34.194 -10.405 15.362 1.00 43.32 H new ATOM 0 HZ1 LYS A 64 -32.295 -9.168 14.547 1.00 22.24 H new ATOM 0 HZ2 LYS A 64 -33.734 -8.390 14.089 1.00 22.24 H new ATOM 0 HZ3 LYS A 64 -32.804 -7.772 15.368 1.00 22.24 H new ATOM 850 N ASP A 65 -40.246 -8.128 13.463 1.00 24.34 N ATOM 851 CA ASP A 65 -41.440 -8.957 13.351 1.00 22.23 C ATOM 852 C ASP A 65 -41.593 -9.501 11.935 1.00 74.05 C ATOM 853 O ASP A 65 -42.651 -10.010 11.565 1.00 13.11 O ATOM 854 CB ASP A 65 -42.683 -8.154 13.738 1.00 4.44 C ATOM 855 CG ASP A 65 -43.894 -9.036 13.964 1.00 44.23 C ATOM 856 OD1 ASP A 65 -43.833 -9.913 14.850 1.00 54.22 O ATOM 857 OD2 ASP A 65 -44.906 -8.847 13.256 1.00 33.14 O ATOM 0 H ASP A 65 -40.303 -7.238 12.969 1.00 24.34 H new ATOM 0 HA ASP A 65 -41.333 -9.799 14.035 1.00 22.23 H new ATOM 0 HB2 ASP A 65 -42.477 -7.585 14.645 1.00 4.44 H new ATOM 0 HB3 ASP A 65 -42.905 -7.432 12.952 1.00 4.44 H new ATOM 861 N ASN A 66 -40.530 -9.391 11.145 1.00 41.20 N ATOM 862 CA ASN A 66 -40.546 -9.870 9.768 1.00 51.43 C ATOM 863 C ASN A 66 -41.115 -11.285 9.691 1.00 11.35 C ATOM 864 O ASN A 66 -41.649 -11.695 8.662 1.00 34.23 O ATOM 865 CB ASN A 66 -39.134 -9.844 9.179 1.00 62.14 C ATOM 866 CG ASN A 66 -38.061 -9.892 10.249 1.00 41.52 C ATOM 867 OD1 ASN A 66 -38.126 -10.904 11.107 1.00 45.44 O flip ATOM 868 ND2 ASN A 66 -37.183 -9.031 10.303 1.00 54.43 N flip ATOM 0 H ASN A 66 -39.646 -8.974 11.435 1.00 41.20 H new ATOM 0 HA ASN A 66 -41.187 -9.207 9.187 1.00 51.43 H new ATOM 0 HB2 ASN A 66 -39.009 -10.691 8.504 1.00 62.14 H new ATOM 0 HB3 ASN A 66 -39.009 -8.940 8.583 1.00 62.14 H new ATOM 0 HD21 ASN A 66 -37.172 -8.271 9.623 1.00 54.43 H new ATOM 0 HD22 ASN A 66 -36.467 -9.078 11.028 1.00 54.43 H new ATOM 874 N ALA A 67 -40.996 -12.024 10.789 1.00 14.42 N ATOM 875 CA ALA A 67 -41.499 -13.391 10.848 1.00 62.32 C ATOM 876 C ALA A 67 -42.953 -13.461 10.391 1.00 4.04 C ATOM 877 O ALA A 67 -43.396 -14.475 9.857 1.00 53.10 O ATOM 878 CB ALA A 67 -41.360 -13.945 12.259 1.00 64.22 C ATOM 0 H ALA A 67 -40.556 -11.699 11.650 1.00 14.42 H new ATOM 0 HA ALA A 67 -40.902 -14.001 10.170 1.00 62.32 H new ATOM 0 HB1 ALA A 67 -41.740 -14.966 12.288 1.00 64.22 H new ATOM 0 HB2 ALA A 67 -40.310 -13.940 12.550 1.00 64.22 H new ATOM 0 HB3 ALA A 67 -41.931 -13.326 12.951 1.00 64.22 H new ATOM 947 N LEU A 74 -50.948 -19.325 6.426 1.00 31.24 N ATOM 948 CA LEU A 74 -51.702 -18.127 6.070 1.00 13.23 C ATOM 949 C LEU A 74 -53.052 -18.103 6.778 1.00 53.31 C ATOM 950 O LEU A 74 -53.736 -17.081 6.797 1.00 4.32 O ATOM 951 CB LEU A 74 -51.906 -18.062 4.555 1.00 65.32 C ATOM 952 CG LEU A 74 -50.648 -18.222 3.701 1.00 75.32 C ATOM 953 CD1 LEU A 74 -51.019 -18.437 2.241 1.00 33.03 C ATOM 954 CD2 LEU A 74 -49.744 -17.008 3.850 1.00 32.05 C ATOM 0 HA LEU A 74 -51.129 -17.257 6.392 1.00 13.23 H new ATOM 0 HB2 LEU A 74 -52.615 -18.839 4.270 1.00 65.32 H new ATOM 0 HB3 LEU A 74 -52.367 -17.105 4.311 1.00 65.32 H new ATOM 0 HG LEU A 74 -50.104 -19.100 4.050 1.00 75.32 H new ATOM 0 HD11 LEU A 74 -50.112 -18.549 1.648 1.00 33.03 H new ATOM 0 HD12 LEU A 74 -51.626 -19.337 2.149 1.00 33.03 H new ATOM 0 HD13 LEU A 74 -51.585 -17.579 1.879 1.00 33.03 H new ATOM 0 HD21 LEU A 74 -48.854 -17.140 3.235 1.00 32.05 H new ATOM 0 HD22 LEU A 74 -50.279 -16.114 3.528 1.00 32.05 H new ATOM 0 HD23 LEU A 74 -49.451 -16.899 4.894 1.00 32.05 H new ATOM 965 N ALA A 75 -53.429 -19.237 7.361 1.00 2.41 N ATOM 966 CA ALA A 75 -54.696 -19.344 8.074 1.00 3.22 C ATOM 967 C ALA A 75 -54.573 -18.805 9.496 1.00 24.52 C ATOM 968 O ALA A 75 -55.527 -18.252 10.044 1.00 2.34 O ATOM 969 CB ALA A 75 -55.168 -20.790 8.097 1.00 30.20 C ATOM 0 H ALA A 75 -52.875 -20.094 7.353 1.00 2.41 H new ATOM 0 HA ALA A 75 -55.434 -18.740 7.546 1.00 3.22 H new ATOM 0 HB1 ALA A 75 -56.115 -20.855 8.633 1.00 30.20 H new ATOM 0 HB2 ALA A 75 -55.304 -21.145 7.075 1.00 30.20 H new ATOM 0 HB3 ALA A 75 -54.424 -21.408 8.600 1.00 30.20 H new ATOM 975 N ASP A 76 -53.394 -18.968 10.086 1.00 61.11 N ATOM 976 CA ASP A 76 -53.147 -18.496 11.444 1.00 34.00 C ATOM 977 C ASP A 76 -53.377 -16.991 11.547 1.00 72.34 C ATOM 978 O ASP A 76 -53.943 -16.507 12.526 1.00 43.44 O ATOM 979 CB ASP A 76 -51.719 -18.836 11.872 1.00 33.11 C ATOM 980 CG ASP A 76 -51.565 -18.894 13.380 1.00 34.43 C ATOM 981 OD1 ASP A 76 -52.396 -18.285 14.083 1.00 4.23 O ATOM 982 OD2 ASP A 76 -50.612 -19.548 13.854 1.00 43.05 O ATOM 0 H ASP A 76 -52.594 -19.423 9.646 1.00 61.11 H new ATOM 0 HA ASP A 76 -53.848 -18.999 12.110 1.00 34.00 H new ATOM 0 HB2 ASP A 76 -51.433 -19.796 11.443 1.00 33.11 H new ATOM 0 HB3 ASP A 76 -51.034 -18.090 11.468 1.00 33.11 H new ATOM 986 N GLN A 77 -52.936 -16.259 10.530 1.00 31.25 N ATOM 987 CA GLN A 77 -53.093 -14.810 10.508 1.00 14.14 C ATOM 988 C GLN A 77 -54.487 -14.421 10.029 1.00 21.14 C ATOM 989 O GLN A 77 -55.109 -13.511 10.576 1.00 63.41 O ATOM 990 CB GLN A 77 -52.034 -14.174 9.604 1.00 75.23 C ATOM 991 CG GLN A 77 -50.707 -14.917 9.604 1.00 42.15 C ATOM 992 CD GLN A 77 -50.221 -15.240 11.003 1.00 50.41 C ATOM 993 OE1 GLN A 77 -50.563 -14.553 11.966 1.00 31.43 O ATOM 994 NE2 GLN A 77 -49.418 -16.291 11.123 1.00 14.23 N ATOM 0 H GLN A 77 -52.467 -16.645 9.711 1.00 31.25 H new ATOM 0 HA GLN A 77 -52.962 -14.440 11.525 1.00 14.14 H new ATOM 0 HB2 GLN A 77 -52.417 -14.131 8.584 1.00 75.23 H new ATOM 0 HB3 GLN A 77 -51.865 -13.146 9.924 1.00 75.23 H new ATOM 0 HG2 GLN A 77 -50.813 -15.842 9.037 1.00 42.15 H new ATOM 0 HG3 GLN A 77 -49.957 -14.314 9.093 1.00 42.15 H new ATOM 0 HE21 GLN A 77 -49.160 -16.833 10.298 1.00 14.23 H new ATOM 0 HE22 GLN A 77 -49.059 -16.557 12.040 1.00 14.23 H new ATOM 1001 N ALA A 78 -54.971 -15.116 9.005 1.00 50.21 N ATOM 1002 CA ALA A 78 -56.293 -14.844 8.455 1.00 73.32 C ATOM 1003 C ALA A 78 -57.305 -14.573 9.563 1.00 34.14 C ATOM 1004 O ALA A 78 -58.202 -13.745 9.409 1.00 20.04 O ATOM 1005 CB ALA A 78 -56.754 -16.007 7.589 1.00 0.11 C ATOM 0 H ALA A 78 -54.468 -15.871 8.540 1.00 50.21 H new ATOM 0 HA ALA A 78 -56.224 -13.949 7.836 1.00 73.32 H new ATOM 0 HB1 ALA A 78 -57.743 -15.790 7.185 1.00 0.11 H new ATOM 0 HB2 ALA A 78 -56.050 -16.151 6.769 1.00 0.11 H new ATOM 0 HB3 ALA A 78 -56.799 -16.914 8.192 1.00 0.11 H new ATOM 1011 N ARG A 79 -57.155 -15.278 10.680 1.00 72.41 N ATOM 1012 CA ARG A 79 -58.057 -15.115 11.814 1.00 71.44 C ATOM 1013 C ARG A 79 -57.787 -13.800 12.538 1.00 62.11 C ATOM 1014 O ARG A 79 -58.668 -12.947 12.645 1.00 10.02 O ATOM 1015 CB ARG A 79 -57.906 -16.287 12.785 1.00 4.23 C ATOM 1016 CG ARG A 79 -58.126 -17.646 12.142 1.00 71.42 C ATOM 1017 CD ARG A 79 -57.921 -18.775 13.139 1.00 71.43 C ATOM 1018 NE ARG A 79 -58.713 -19.954 12.801 1.00 75.25 N ATOM 1019 CZ ARG A 79 -58.358 -20.838 11.874 1.00 10.24 C ATOM 1020 NH1 ARG A 79 -57.229 -20.676 11.198 1.00 1.42 N ATOM 1021 NH2 ARG A 79 -59.131 -21.886 11.624 1.00 11.41 N ATOM 0 H ARG A 79 -56.417 -15.968 10.824 1.00 72.41 H new ATOM 0 HA ARG A 79 -59.079 -15.097 11.435 1.00 71.44 H new ATOM 0 HB2 ARG A 79 -56.908 -16.259 13.222 1.00 4.23 H new ATOM 0 HB3 ARG A 79 -58.615 -16.163 13.603 1.00 4.23 H new ATOM 0 HG2 ARG A 79 -59.136 -17.698 11.735 1.00 71.42 H new ATOM 0 HG3 ARG A 79 -57.438 -17.769 11.305 1.00 71.42 H new ATOM 0 HD2 ARG A 79 -56.865 -19.044 13.170 1.00 71.43 H new ATOM 0 HD3 ARG A 79 -58.191 -18.431 14.137 1.00 71.43 H new ATOM 0 HE ARG A 79 -59.587 -20.108 13.304 1.00 75.25 H new ATOM 0 HH11 ARG A 79 -56.631 -19.872 11.389 1.00 1.42 H new ATOM 0 HH12 ARG A 79 -56.958 -21.355 10.487 1.00 1.42 H new ATOM 0 HH21 ARG A 79 -59.999 -22.015 12.143 1.00 11.41 H new ATOM 0 HH22 ARG A 79 -58.857 -22.563 10.912 1.00 11.41 H new ATOM 1032 N ASP A 80 -56.564 -13.645 13.035 1.00 45.41 N ATOM 1033 CA ASP A 80 -56.178 -12.434 13.750 1.00 33.21 C ATOM 1034 C ASP A 80 -55.931 -11.285 12.777 1.00 44.44 C ATOM 1035 O ASP A 80 -56.533 -10.217 12.897 1.00 3.30 O ATOM 1036 CB ASP A 80 -54.924 -12.689 14.586 1.00 25.15 C ATOM 1037 CG ASP A 80 -54.674 -11.593 15.604 1.00 20.11 C ATOM 1038 OD1 ASP A 80 -55.521 -11.417 16.505 1.00 3.32 O ATOM 1039 OD2 ASP A 80 -53.633 -10.912 15.499 1.00 4.04 O ATOM 0 H ASP A 80 -55.824 -14.342 12.956 1.00 45.41 H new ATOM 0 HA ASP A 80 -56.997 -12.155 14.413 1.00 33.21 H new ATOM 0 HB2 ASP A 80 -55.023 -13.644 15.102 1.00 25.15 H new ATOM 0 HB3 ASP A 80 -54.061 -12.771 13.925 1.00 25.15 H new ATOM 1043 N TYR A 81 -55.043 -11.510 11.816 1.00 1.31 N ATOM 1044 CA TYR A 81 -54.714 -10.492 10.826 1.00 74.15 C ATOM 1045 C TYR A 81 -55.963 -9.732 10.390 1.00 41.40 C ATOM 1046 O TYR A 81 -56.111 -8.544 10.676 1.00 71.21 O ATOM 1047 CB TYR A 81 -54.043 -11.133 9.610 1.00 64.51 C ATOM 1048 CG TYR A 81 -53.177 -10.176 8.822 1.00 11.43 C ATOM 1049 CD1 TYR A 81 -52.293 -9.317 9.466 1.00 13.32 C ATOM 1050 CD2 TYR A 81 -53.242 -10.129 7.435 1.00 12.14 C ATOM 1051 CE1 TYR A 81 -51.500 -8.442 8.751 1.00 21.24 C ATOM 1052 CE2 TYR A 81 -52.451 -9.257 6.712 1.00 33.34 C ATOM 1053 CZ TYR A 81 -51.581 -8.415 7.374 1.00 42.14 C ATOM 1054 OH TYR A 81 -50.794 -7.544 6.658 1.00 33.24 O ATOM 0 H TYR A 81 -54.538 -12.389 11.701 1.00 1.31 H new ATOM 0 HA TYR A 81 -54.023 -9.785 11.284 1.00 74.15 H new ATOM 0 HB2 TYR A 81 -53.432 -11.972 9.943 1.00 64.51 H new ATOM 0 HB3 TYR A 81 -54.812 -11.539 8.953 1.00 64.51 H new ATOM 0 HD1 TYR A 81 -52.226 -9.335 10.544 1.00 13.32 H new ATOM 0 HD2 TYR A 81 -53.923 -10.785 6.913 1.00 12.14 H new ATOM 0 HE1 TYR A 81 -50.819 -7.781 9.267 1.00 21.24 H new ATOM 0 HE2 TYR A 81 -52.513 -9.234 5.634 1.00 33.34 H new ATOM 0 HH TYR A 81 -50.973 -7.653 5.701 1.00 33.24 H new ATOM 1063 N MET A 82 -56.859 -10.427 9.697 1.00 62.10 N ATOM 1064 CA MET A 82 -58.097 -9.819 9.223 1.00 13.43 C ATOM 1065 C MET A 82 -58.847 -9.150 10.370 1.00 5.14 C ATOM 1066 O MET A 82 -59.163 -7.962 10.308 1.00 41.33 O ATOM 1067 CB MET A 82 -58.988 -10.873 8.562 1.00 13.23 C ATOM 1068 CG MET A 82 -58.277 -11.682 7.490 1.00 54.02 C ATOM 1069 SD MET A 82 -58.556 -11.035 5.831 1.00 32.40 S ATOM 1070 CE MET A 82 -60.152 -11.754 5.451 1.00 35.25 C ATOM 0 H MET A 82 -56.751 -11.411 9.451 1.00 62.10 H new ATOM 0 HA MET A 82 -57.840 -9.058 8.487 1.00 13.43 H new ATOM 0 HB2 MET A 82 -59.364 -11.551 9.328 1.00 13.23 H new ATOM 0 HB3 MET A 82 -59.854 -10.380 8.120 1.00 13.23 H new ATOM 0 HG2 MET A 82 -57.207 -11.691 7.697 1.00 54.02 H new ATOM 0 HG3 MET A 82 -58.619 -12.716 7.535 1.00 54.02 H new ATOM 0 HE1 MET A 82 -60.462 -11.445 4.453 1.00 35.25 H new ATOM 0 HE2 MET A 82 -60.080 -12.841 5.488 1.00 35.25 H new ATOM 0 HE3 MET A 82 -60.887 -11.414 6.180 1.00 35.25 H new ATOM 1078 N GLY A 83 -59.130 -9.919 11.416 1.00 4.32 N ATOM 1079 CA GLY A 83 -59.841 -9.382 12.562 1.00 42.22 C ATOM 1080 C GLY A 83 -59.228 -8.095 13.075 1.00 34.54 C ATOM 1081 O GLY A 83 -59.898 -7.297 13.729 1.00 21.24 O ATOM 0 H GLY A 83 -58.880 -10.905 11.491 1.00 4.32 H new ATOM 0 HA2 GLY A 83 -60.881 -9.202 12.288 1.00 42.22 H new ATOM 0 HA3 GLY A 83 -59.846 -10.122 13.362 1.00 42.22 H new ATOM 1084 N ALA A 84 -57.948 -7.892 12.778 1.00 62.40 N ATOM 1085 CA ALA A 84 -57.243 -6.692 13.212 1.00 44.34 C ATOM 1086 C ALA A 84 -57.273 -5.616 12.131 1.00 3.44 C ATOM 1087 O ALA A 84 -57.464 -4.436 12.422 1.00 71.11 O ATOM 1088 CB ALA A 84 -55.808 -7.028 13.587 1.00 71.43 C ATOM 0 H ALA A 84 -57.378 -8.544 12.238 1.00 62.40 H new ATOM 0 HA ALA A 84 -57.753 -6.300 14.092 1.00 44.34 H new ATOM 0 HB1 ALA A 84 -55.294 -6.122 13.909 1.00 71.43 H new ATOM 0 HB2 ALA A 84 -55.805 -7.755 14.399 1.00 71.43 H new ATOM 0 HB3 ALA A 84 -55.295 -7.448 12.722 1.00 71.43 H new ATOM 1094 N ALA A 85 -57.079 -6.032 10.884 1.00 63.44 N ATOM 1095 CA ALA A 85 -57.085 -5.104 9.760 1.00 51.51 C ATOM 1096 C ALA A 85 -58.474 -4.999 9.142 1.00 62.50 C ATOM 1097 O ALA A 85 -59.195 -4.027 9.370 1.00 25.43 O ATOM 1098 CB ALA A 85 -56.070 -5.539 8.712 1.00 42.01 C ATOM 0 H ALA A 85 -56.916 -7.005 10.627 1.00 63.44 H new ATOM 0 HA ALA A 85 -56.807 -4.118 10.133 1.00 51.51 H new ATOM 0 HB1 ALA A 85 -56.085 -4.837 7.878 1.00 42.01 H new ATOM 0 HB2 ALA A 85 -55.074 -5.555 9.155 1.00 42.01 H new ATOM 0 HB3 ALA A 85 -56.323 -6.536 8.352 1.00 42.01 H new ATOM 1104 N LYS A 86 -58.846 -6.005 8.358 1.00 71.43 N ATOM 1105 CA LYS A 86 -60.150 -6.027 7.706 1.00 22.11 C ATOM 1106 C LYS A 86 -61.246 -5.575 8.667 1.00 73.30 C ATOM 1107 O LYS A 86 -62.219 -4.942 8.259 1.00 65.42 O ATOM 1108 CB LYS A 86 -60.461 -7.432 7.185 1.00 34.25 C ATOM 1109 CG LYS A 86 -61.692 -7.494 6.298 1.00 13.13 C ATOM 1110 CD LYS A 86 -62.881 -8.085 7.036 1.00 14.34 C ATOM 1111 CE LYS A 86 -63.932 -8.611 6.069 1.00 4.42 C ATOM 1112 NZ LYS A 86 -64.796 -7.517 5.542 1.00 14.41 N ATOM 0 H LYS A 86 -58.262 -6.817 8.158 1.00 71.43 H new ATOM 0 HA LYS A 86 -60.119 -5.334 6.865 1.00 22.11 H new ATOM 0 HB2 LYS A 86 -59.602 -7.801 6.625 1.00 34.25 H new ATOM 0 HB3 LYS A 86 -60.601 -8.102 8.033 1.00 34.25 H new ATOM 0 HG2 LYS A 86 -61.941 -6.492 5.949 1.00 13.13 H new ATOM 0 HG3 LYS A 86 -61.475 -8.095 5.415 1.00 13.13 H new ATOM 0 HD2 LYS A 86 -62.543 -8.894 7.683 1.00 14.34 H new ATOM 0 HD3 LYS A 86 -63.325 -7.326 7.680 1.00 14.34 H new ATOM 0 HE2 LYS A 86 -63.441 -9.118 5.239 1.00 4.42 H new ATOM 0 HE3 LYS A 86 -64.552 -9.352 6.574 1.00 4.42 H new ATOM 0 HZ1 LYS A 86 -65.499 -7.915 4.887 1.00 14.41 H new ATOM 0 HZ2 LYS A 86 -65.285 -7.049 6.332 1.00 14.41 H new ATOM 0 HZ3 LYS A 86 -64.208 -6.822 5.039 1.00 14.41 H new ATOM 1122 N SER A 87 -61.079 -5.906 9.943 1.00 64.44 N ATOM 1123 CA SER A 87 -62.057 -5.537 10.961 1.00 24.14 C ATOM 1124 C SER A 87 -61.874 -4.082 11.386 1.00 42.21 C ATOM 1125 O SER A 87 -62.701 -3.224 11.075 1.00 22.23 O ATOM 1126 CB SER A 87 -61.929 -6.455 12.178 1.00 71.30 C ATOM 1127 OG SER A 87 -63.201 -6.886 12.628 1.00 65.20 O ATOM 0 H SER A 87 -60.277 -6.428 10.297 1.00 64.44 H new ATOM 0 HA SER A 87 -63.053 -5.651 10.532 1.00 24.14 H new ATOM 0 HB2 SER A 87 -61.318 -7.321 11.922 1.00 71.30 H new ATOM 0 HB3 SER A 87 -61.415 -5.929 12.982 1.00 71.30 H new ATOM 0 HG SER A 87 -63.091 -7.472 13.405 1.00 65.20 H new ATOM 1132 N LYS A 88 -60.787 -3.814 12.101 1.00 24.43 N ATOM 1133 CA LYS A 88 -60.493 -2.464 12.569 1.00 32.42 C ATOM 1134 C LYS A 88 -60.320 -1.506 11.395 1.00 31.11 C ATOM 1135 O LYS A 88 -61.077 -0.545 11.246 1.00 13.20 O ATOM 1136 CB LYS A 88 -59.229 -2.466 13.432 1.00 23.52 C ATOM 1137 CG LYS A 88 -59.325 -1.568 14.653 1.00 14.10 C ATOM 1138 CD LYS A 88 -58.071 -0.729 14.829 1.00 20.03 C ATOM 1139 CE LYS A 88 -58.078 0.483 13.909 1.00 61.31 C ATOM 1140 NZ LYS A 88 -58.918 1.587 14.451 1.00 54.31 N ATOM 0 H LYS A 88 -60.095 -4.513 12.369 1.00 24.43 H new ATOM 0 HA LYS A 88 -61.336 -2.123 13.171 1.00 32.42 H new ATOM 0 HB2 LYS A 88 -59.022 -3.486 13.757 1.00 23.52 H new ATOM 0 HB3 LYS A 88 -58.383 -2.148 12.823 1.00 23.52 H new ATOM 0 HG2 LYS A 88 -60.191 -0.913 14.557 1.00 14.10 H new ATOM 0 HG3 LYS A 88 -59.484 -2.178 15.542 1.00 14.10 H new ATOM 0 HD2 LYS A 88 -57.994 -0.400 15.865 1.00 20.03 H new ATOM 0 HD3 LYS A 88 -57.192 -1.339 14.622 1.00 20.03 H new ATOM 0 HE2 LYS A 88 -57.057 0.839 13.769 1.00 61.31 H new ATOM 0 HE3 LYS A 88 -58.451 0.191 12.927 1.00 61.31 H new ATOM 0 HZ1 LYS A 88 -58.979 2.353 13.750 1.00 54.31 H new ATOM 0 HZ2 LYS A 88 -59.872 1.228 14.656 1.00 54.31 H new ATOM 0 HZ3 LYS A 88 -58.490 1.952 15.326 1.00 54.31 H new ATOM 1150 N LEU A 89 -59.320 -1.773 10.562 1.00 73.24 N ATOM 1151 CA LEU A 89 -59.047 -0.936 9.399 1.00 43.25 C ATOM 1152 C LEU A 89 -60.343 -0.547 8.693 1.00 11.20 C ATOM 1153 O LEU A 89 -60.604 0.633 8.460 1.00 15.33 O ATOM 1154 CB LEU A 89 -58.123 -1.667 8.425 1.00 33.14 C ATOM 1155 CG LEU A 89 -57.526 -0.819 7.301 1.00 25.33 C ATOM 1156 CD1 LEU A 89 -56.121 -1.293 6.962 1.00 63.51 C ATOM 1157 CD2 LEU A 89 -58.417 -0.862 6.068 1.00 44.34 C ATOM 0 H LEU A 89 -58.684 -2.563 10.671 1.00 73.24 H new ATOM 0 HA LEU A 89 -58.554 -0.027 9.744 1.00 43.25 H new ATOM 0 HB2 LEU A 89 -57.305 -2.108 8.994 1.00 33.14 H new ATOM 0 HB3 LEU A 89 -58.679 -2.490 7.976 1.00 33.14 H new ATOM 0 HG LEU A 89 -57.466 0.213 7.645 1.00 25.33 H new ATOM 0 HD11 LEU A 89 -55.713 -0.678 6.160 1.00 63.51 H new ATOM 0 HD12 LEU A 89 -55.486 -1.208 7.844 1.00 63.51 H new ATOM 0 HD13 LEU A 89 -56.156 -2.333 6.639 1.00 63.51 H new ATOM 0 HD21 LEU A 89 -57.976 -0.253 5.279 1.00 44.34 H new ATOM 0 HD22 LEU A 89 -58.510 -1.892 5.722 1.00 44.34 H new ATOM 0 HD23 LEU A 89 -59.404 -0.472 6.318 1.00 44.34 H new ATOM 1168 N ASN A 90 -61.152 -1.547 8.358 1.00 31.32 N ATOM 1169 CA ASN A 90 -62.421 -1.309 7.680 1.00 44.51 C ATOM 1170 C ASN A 90 -63.420 -0.637 8.617 1.00 61.35 C ATOM 1171 O ASN A 90 -63.848 0.493 8.378 1.00 53.32 O ATOM 1172 CB ASN A 90 -63.000 -2.626 7.160 1.00 34.54 C ATOM 1173 CG ASN A 90 -63.848 -2.434 5.918 1.00 74.53 C ATOM 1174 OD1 ASN A 90 -63.325 -2.301 4.810 1.00 42.54 O ATOM 1175 ND2 ASN A 90 -65.163 -2.418 6.096 1.00 42.01 N ATOM 0 H ASN A 90 -60.951 -2.529 8.545 1.00 31.32 H new ATOM 0 HA ASN A 90 -62.235 -0.643 6.837 1.00 44.51 H new ATOM 0 HB2 ASN A 90 -62.185 -3.315 6.937 1.00 34.54 H new ATOM 0 HB3 ASN A 90 -63.604 -3.088 7.941 1.00 34.54 H new ATOM 0 HD21 ASN A 90 -65.784 -2.292 5.297 1.00 42.01 H new ATOM 0 HD22 ASN A 90 -65.552 -2.532 7.032 1.00 42.01 H new ATOM 1181 N ASP A 91 -63.787 -1.338 9.684 1.00 31.23 N ATOM 1182 CA ASP A 91 -64.733 -0.809 10.659 1.00 71.12 C ATOM 1183 C ASP A 91 -64.257 0.532 11.208 1.00 22.43 C ATOM 1184 O ASP A 91 -65.030 1.280 11.806 1.00 72.30 O ATOM 1185 CB ASP A 91 -64.927 -1.803 11.805 1.00 63.23 C ATOM 1186 CG ASP A 91 -65.440 -3.147 11.325 1.00 64.25 C ATOM 1187 OD1 ASP A 91 -66.198 -3.172 10.333 1.00 44.12 O ATOM 1188 OD2 ASP A 91 -65.084 -4.173 11.942 1.00 42.03 O ATOM 0 H ASP A 91 -63.443 -2.275 9.896 1.00 31.23 H new ATOM 0 HA ASP A 91 -65.687 -0.656 10.155 1.00 71.12 H new ATOM 0 HB2 ASP A 91 -63.979 -1.944 12.325 1.00 63.23 H new ATOM 0 HB3 ASP A 91 -65.628 -1.387 12.528 1.00 63.23 H new ATOM 1192 N ALA A 92 -62.978 0.830 11.000 1.00 12.42 N ATOM 1193 CA ALA A 92 -62.399 2.081 11.473 1.00 10.40 C ATOM 1194 C ALA A 92 -62.295 3.099 10.343 1.00 2.23 C ATOM 1195 O ALA A 92 -62.370 4.306 10.574 1.00 63.50 O ATOM 1196 CB ALA A 92 -61.029 1.830 12.086 1.00 53.44 C ATOM 0 H ALA A 92 -62.324 0.222 10.507 1.00 12.42 H new ATOM 0 HA ALA A 92 -63.058 2.491 12.238 1.00 10.40 H new ATOM 0 HB1 ALA A 92 -60.608 2.773 12.435 1.00 53.44 H new ATOM 0 HB2 ALA A 92 -61.127 1.143 12.927 1.00 53.44 H new ATOM 0 HB3 ALA A 92 -60.369 1.394 11.336 1.00 53.44 H new ATOM 1202 N VAL A 93 -62.121 2.606 9.122 1.00 61.35 N ATOM 1203 CA VAL A 93 -62.008 3.473 7.955 1.00 4.14 C ATOM 1204 C VAL A 93 -63.270 3.414 7.101 1.00 1.03 C ATOM 1205 O VAL A 93 -63.802 4.445 6.691 1.00 33.01 O ATOM 1206 CB VAL A 93 -60.795 3.091 7.087 1.00 64.32 C ATOM 1207 CG1 VAL A 93 -61.187 2.047 6.052 1.00 71.52 C ATOM 1208 CG2 VAL A 93 -60.210 4.325 6.416 1.00 11.11 C ATOM 0 H VAL A 93 -62.055 1.610 8.914 1.00 61.35 H new ATOM 0 HA VAL A 93 -61.873 4.488 8.328 1.00 4.14 H new ATOM 0 HB VAL A 93 -60.030 2.659 7.732 1.00 64.32 H new ATOM 0 HG11 VAL A 93 -60.317 1.789 5.448 1.00 71.52 H new ATOM 0 HG12 VAL A 93 -61.555 1.154 6.557 1.00 71.52 H new ATOM 0 HG13 VAL A 93 -61.970 2.449 5.408 1.00 71.52 H new ATOM 0 HG21 VAL A 93 -59.354 4.036 5.807 1.00 11.11 H new ATOM 0 HG22 VAL A 93 -60.967 4.788 5.782 1.00 11.11 H new ATOM 0 HG23 VAL A 93 -59.890 5.036 7.178 1.00 11.11 H new ATOM 1218 N GLU A 94 -63.743 2.200 6.838 1.00 63.42 N ATOM 1219 CA GLU A 94 -64.943 2.007 6.032 1.00 73.24 C ATOM 1220 C GLU A 94 -66.193 2.401 6.814 1.00 24.42 C ATOM 1221 O GLU A 94 -67.125 2.986 6.261 1.00 52.22 O ATOM 1222 CB GLU A 94 -65.050 0.549 5.579 1.00 10.41 C ATOM 1223 CG GLU A 94 -64.409 0.283 4.228 1.00 24.55 C ATOM 1224 CD GLU A 94 -65.170 -0.744 3.412 1.00 4.30 C ATOM 1225 OE1 GLU A 94 -66.225 -1.215 3.886 1.00 1.13 O ATOM 1226 OE2 GLU A 94 -64.712 -1.075 2.299 1.00 23.04 O ATOM 0 H GLU A 94 -63.314 1.336 7.171 1.00 63.42 H new ATOM 0 HA GLU A 94 -64.868 2.649 5.154 1.00 73.24 H new ATOM 0 HB2 GLU A 94 -64.580 -0.090 6.327 1.00 10.41 H new ATOM 0 HB3 GLU A 94 -66.102 0.268 5.534 1.00 10.41 H new ATOM 0 HG2 GLU A 94 -64.351 1.216 3.668 1.00 24.55 H new ATOM 0 HG3 GLU A 94 -63.386 -0.063 4.377 1.00 24.55 H new ATOM 1231 N TYR A 95 -66.204 2.077 8.102 1.00 64.13 N ATOM 1232 CA TYR A 95 -67.340 2.394 8.960 1.00 25.23 C ATOM 1233 C TYR A 95 -67.270 3.840 9.443 1.00 21.11 C ATOM 1234 O TYR A 95 -68.272 4.555 9.446 1.00 62.11 O ATOM 1235 CB TYR A 95 -67.382 1.445 10.158 1.00 11.03 C ATOM 1236 CG TYR A 95 -68.250 1.940 11.293 1.00 62.23 C ATOM 1237 CD1 TYR A 95 -69.622 1.724 11.287 1.00 41.44 C ATOM 1238 CD2 TYR A 95 -67.699 2.625 12.369 1.00 31.21 C ATOM 1239 CE1 TYR A 95 -70.421 2.174 12.322 1.00 32.42 C ATOM 1240 CE2 TYR A 95 -68.489 3.078 13.408 1.00 53.11 C ATOM 1241 CZ TYR A 95 -69.849 2.850 13.379 1.00 1.31 C ATOM 1242 OH TYR A 95 -70.639 3.301 14.412 1.00 75.11 O ATOM 0 H TYR A 95 -65.440 1.595 8.575 1.00 64.13 H new ATOM 0 HA TYR A 95 -68.251 2.269 8.375 1.00 25.23 H new ATOM 0 HB2 TYR A 95 -67.749 0.473 9.828 1.00 11.03 H new ATOM 0 HB3 TYR A 95 -66.367 1.294 10.527 1.00 11.03 H new ATOM 0 HD1 TYR A 95 -70.073 1.196 10.460 1.00 41.44 H new ATOM 0 HD2 TYR A 95 -66.635 2.806 12.394 1.00 31.21 H new ATOM 0 HE1 TYR A 95 -71.486 1.997 12.303 1.00 32.42 H new ATOM 0 HE2 TYR A 95 -68.044 3.607 14.238 1.00 53.11 H new ATOM 0 HH TYR A 95 -70.080 3.756 15.077 1.00 75.11 H new ATOM 1251 N VAL A 96 -66.079 4.264 9.853 1.00 34.30 N ATOM 1252 CA VAL A 96 -65.875 5.624 10.337 1.00 54.43 C ATOM 1253 C VAL A 96 -65.634 6.588 9.182 1.00 11.35 C ATOM 1254 O VAL A 96 -66.448 7.472 8.916 1.00 41.33 O ATOM 1255 CB VAL A 96 -64.685 5.699 11.313 1.00 65.11 C ATOM 1256 CG1 VAL A 96 -64.735 6.991 12.116 1.00 21.34 C ATOM 1257 CG2 VAL A 96 -64.675 4.490 12.235 1.00 70.11 C ATOM 0 H VAL A 96 -65.240 3.684 9.860 1.00 34.30 H new ATOM 0 HA VAL A 96 -66.785 5.913 10.863 1.00 54.43 H new ATOM 0 HB VAL A 96 -63.761 5.693 10.734 1.00 65.11 H new ATOM 0 HG11 VAL A 96 -63.887 7.027 12.800 1.00 21.34 H new ATOM 0 HG12 VAL A 96 -64.690 7.843 11.438 1.00 21.34 H new ATOM 0 HG13 VAL A 96 -65.663 7.029 12.686 1.00 21.34 H new ATOM 0 HG21 VAL A 96 -63.828 4.560 12.917 1.00 70.11 H new ATOM 0 HG22 VAL A 96 -65.602 4.462 12.808 1.00 70.11 H new ATOM 0 HG23 VAL A 96 -64.588 3.580 11.641 1.00 70.11 H new ATOM 1267 N SER A 97 -64.508 6.412 8.497 1.00 10.15 N ATOM 1268 CA SER A 97 -64.156 7.270 7.372 1.00 53.03 C ATOM 1269 C SER A 97 -65.207 7.177 6.269 1.00 34.22 C ATOM 1270 O SER A 97 -65.300 8.052 5.410 1.00 60.30 O ATOM 1271 CB SER A 97 -62.784 6.883 6.818 1.00 22.44 C ATOM 1272 OG SER A 97 -61.972 8.028 6.620 1.00 65.04 O ATOM 0 H SER A 97 -63.824 5.683 8.702 1.00 10.15 H new ATOM 0 HA SER A 97 -64.118 8.299 7.729 1.00 53.03 H new ATOM 0 HB2 SER A 97 -62.290 6.198 7.507 1.00 22.44 H new ATOM 0 HB3 SER A 97 -62.906 6.352 5.874 1.00 22.44 H new ATOM 0 HG SER A 97 -61.100 7.754 6.267 1.00 65.04 H new ATOM 1277 N GLY A 98 -65.997 6.108 6.301 1.00 12.53 N ATOM 1278 CA GLY A 98 -67.031 5.919 5.301 1.00 34.33 C ATOM 1279 C GLY A 98 -68.349 6.550 5.703 1.00 35.43 C ATOM 1280 O GLY A 98 -69.196 6.825 4.853 1.00 61.35 O ATOM 0 H GLY A 98 -65.939 5.369 7.002 1.00 12.53 H new ATOM 0 HA2 GLY A 98 -66.700 6.348 4.355 1.00 34.33 H new ATOM 0 HA3 GLY A 98 -67.179 4.852 5.133 1.00 34.33 H new ATOM 1283 N ARG A 99 -68.523 6.778 7.000 1.00 23.22 N ATOM 1284 CA ARG A 99 -69.748 7.378 7.512 1.00 63.23 C ATOM 1285 C ARG A 99 -69.699 8.899 7.398 1.00 60.22 C ATOM 1286 O ARG A 99 -70.641 9.527 6.915 1.00 4.12 O ATOM 1287 CB ARG A 99 -69.969 6.973 8.971 1.00 31.22 C ATOM 1288 CG ARG A 99 -70.898 5.782 9.138 1.00 52.44 C ATOM 1289 CD ARG A 99 -71.229 5.535 10.602 1.00 3.12 C ATOM 1290 NE ARG A 99 -72.212 4.468 10.769 1.00 21.52 N ATOM 1291 CZ ARG A 99 -72.861 4.237 11.904 1.00 4.24 C ATOM 1292 NH1 ARG A 99 -72.632 4.995 12.967 1.00 4.33 N ATOM 1293 NH2 ARG A 99 -73.742 3.248 11.977 1.00 1.04 N ATOM 0 H ARG A 99 -67.831 6.556 7.716 1.00 23.22 H new ATOM 0 HA ARG A 99 -70.580 7.012 6.910 1.00 63.23 H new ATOM 0 HB2 ARG A 99 -69.006 6.738 9.424 1.00 31.22 H new ATOM 0 HB3 ARG A 99 -70.379 7.823 9.517 1.00 31.22 H new ATOM 0 HG2 ARG A 99 -71.818 5.956 8.580 1.00 52.44 H new ATOM 0 HG3 ARG A 99 -70.431 4.893 8.714 1.00 52.44 H new ATOM 0 HD2 ARG A 99 -70.318 5.276 11.141 1.00 3.12 H new ATOM 0 HD3 ARG A 99 -71.612 6.453 11.047 1.00 3.12 H new ATOM 0 HE ARG A 99 -72.411 3.867 9.969 1.00 21.52 H new ATOM 0 HH11 ARG A 99 -71.956 5.757 12.914 1.00 4.33 H new ATOM 0 HH12 ARG A 99 -73.132 4.816 13.838 1.00 4.33 H new ATOM 0 HH21 ARG A 99 -73.922 2.664 11.160 1.00 1.04 H new ATOM 0 HH22 ARG A 99 -74.240 3.072 12.850 1.00 1.04 H new ATOM 1304 N VAL A 100 -68.593 9.485 7.845 1.00 23.50 N ATOM 1305 CA VAL A 100 -68.420 10.932 7.793 1.00 35.50 C ATOM 1306 C VAL A 100 -68.386 11.429 6.351 1.00 60.03 C ATOM 1307 O VAL A 100 -68.853 12.529 6.051 1.00 12.15 O ATOM 1308 CB VAL A 100 -67.125 11.368 8.504 1.00 41.10 C ATOM 1309 CG1 VAL A 100 -65.906 10.978 7.683 1.00 4.01 C ATOM 1310 CG2 VAL A 100 -67.143 12.866 8.769 1.00 31.15 C ATOM 0 H VAL A 100 -67.803 8.980 8.247 1.00 23.50 H new ATOM 0 HA VAL A 100 -69.274 11.372 8.307 1.00 35.50 H new ATOM 0 HB VAL A 100 -67.066 10.852 9.462 1.00 41.10 H new ATOM 0 HG11 VAL A 100 -65.001 11.295 8.202 1.00 4.01 H new ATOM 0 HG12 VAL A 100 -65.888 9.896 7.550 1.00 4.01 H new ATOM 0 HG13 VAL A 100 -65.954 11.463 6.708 1.00 4.01 H new ATOM 0 HG21 VAL A 100 -66.221 13.158 9.272 1.00 31.15 H new ATOM 0 HG22 VAL A 100 -67.226 13.402 7.823 1.00 31.15 H new ATOM 0 HG23 VAL A 100 -67.995 13.113 9.402 1.00 31.15 H new ATOM 1320 N HIS A 101 -67.831 10.612 5.462 1.00 12.04 N ATOM 1321 CA HIS A 101 -67.737 10.968 4.050 1.00 65.12 C ATOM 1322 C HIS A 101 -69.110 11.326 3.488 1.00 53.34 C ATOM 1323 O HIS A 101 -69.222 12.116 2.552 1.00 74.42 O ATOM 1324 CB HIS A 101 -67.130 9.816 3.250 1.00 54.54 C ATOM 1325 CG HIS A 101 -66.573 10.234 1.925 1.00 41.23 C ATOM 1326 ND1 HIS A 101 -65.222 10.266 1.652 1.00 55.22 N ATOM 1327 CD2 HIS A 101 -67.194 10.639 0.792 1.00 54.42 C ATOM 1328 CE1 HIS A 101 -65.035 10.673 0.409 1.00 71.02 C ATOM 1329 NE2 HIS A 101 -66.216 10.905 -0.135 1.00 3.31 N ATOM 0 H HIS A 101 -67.439 9.699 5.694 1.00 12.04 H new ATOM 0 HA HIS A 101 -67.089 11.840 3.963 1.00 65.12 H new ATOM 0 HB2 HIS A 101 -66.337 9.354 3.839 1.00 54.54 H new ATOM 0 HB3 HIS A 101 -67.893 9.054 3.090 1.00 54.54 H new ATOM 0 HD2 HIS A 101 -68.260 10.735 0.645 1.00 54.42 H new ATOM 0 HE1 HIS A 101 -64.079 10.795 -0.079 1.00 71.02 H new ATOM 0 HE2 HIS A 101 -66.376 11.229 -1.089 1.00 3.31 H new