USER MOD reduce.3.24.130724 H: found=0, std=0, add=451, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 367 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 23 LYS NZ :NH3+ -160:sc= -0.324 (180deg=-1.1) 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= -0.195 K(o=-0.19,f=-2.3!) USER MOD Single : A 30 LYS NZ :NH3+ -163:sc= -0.138 (180deg=-0.523) 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= -1.41 K(o=-1.4,f=-5.1!) USER MOD Single : A 57 HIS : no HD1:sc= -0.0387 X(o=-0.039,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -148:sc= -0.0619 (180deg=-0.882) USER MOD Single : A 66 ASN :FLIP amide:sc= -0.355 F(o=-2.7!,f=-0.35) USER MOD Single : A 77 GLN : amide:sc= 0 X(o=0,f=0.041) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 MET CE :methyl -134:sc= 0 (180deg=-0.0819) USER MOD Single : A 86 LYS NZ :NH3+ 156:sc= -0.0893 (180deg=-0.402) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 160:sc= -0.0027 (180deg=-0.425) USER MOD Single : A 90 ASN : amide:sc= -1.36 X(o=-1.4,f=-1.6) 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= -0.208 X(o=-0.21,f=-0.1) USER MOD ----------------------------------------------------------------- ATOM 280 N LYS A 23 -5.709 32.178 16.832 1.00 32.34 N ATOM 281 CA LYS A 23 -6.856 31.465 16.281 1.00 61.44 C ATOM 282 C LYS A 23 -6.522 30.869 14.918 1.00 13.44 C ATOM 283 O LYS A 23 -6.373 29.655 14.780 1.00 54.41 O ATOM 284 CB LYS A 23 -8.058 32.405 16.159 1.00 42.35 C ATOM 285 CG LYS A 23 -7.684 33.816 15.742 1.00 11.43 C ATOM 286 CD LYS A 23 -8.199 34.846 16.735 1.00 14.20 C ATOM 287 CE LYS A 23 -7.291 34.950 17.950 1.00 21.44 C ATOM 288 NZ LYS A 23 -7.540 33.850 18.923 1.00 61.00 N ATOM 0 HA LYS A 23 -7.108 30.652 16.962 1.00 61.44 H new ATOM 0 HB2 LYS A 23 -8.758 31.994 15.432 1.00 42.35 H new ATOM 0 HB3 LYS A 23 -8.578 32.443 17.116 1.00 42.35 H new ATOM 0 HG2 LYS A 23 -6.600 33.897 15.661 1.00 11.43 H new ATOM 0 HG3 LYS A 23 -8.094 34.025 14.754 1.00 11.43 H new ATOM 0 HD2 LYS A 23 -8.270 35.819 16.248 1.00 14.20 H new ATOM 0 HD3 LYS A 23 -9.205 34.575 17.054 1.00 14.20 H new ATOM 0 HE2 LYS A 23 -6.250 34.922 17.629 1.00 21.44 H new ATOM 0 HE3 LYS A 23 -7.448 35.911 18.440 1.00 21.44 H new ATOM 0 HZ1 LYS A 23 -7.173 34.123 19.857 1.00 61.00 H new ATOM 0 HZ2 LYS A 23 -8.562 33.672 18.991 1.00 61.00 H new ATOM 0 HZ3 LYS A 23 -7.059 32.986 18.601 1.00 61.00 H new ATOM 298 N SER A 24 -6.405 31.731 13.913 1.00 74.20 N ATOM 299 CA SER A 24 -6.091 31.289 12.559 1.00 21.31 C ATOM 300 C SER A 24 -5.087 30.141 12.582 1.00 74.23 C ATOM 301 O SER A 24 -5.100 29.273 11.709 1.00 75.41 O ATOM 302 CB SER A 24 -5.534 32.453 11.737 1.00 13.21 C ATOM 303 OG SER A 24 -6.331 32.695 10.591 1.00 4.34 O ATOM 0 H SER A 24 -6.523 32.739 14.011 1.00 74.20 H new ATOM 0 HA SER A 24 -7.012 30.934 12.096 1.00 21.31 H new ATOM 0 HB2 SER A 24 -5.495 33.351 12.353 1.00 13.21 H new ATOM 0 HB3 SER A 24 -4.511 32.231 11.432 1.00 13.21 H new ATOM 0 HG SER A 24 -5.955 33.444 10.083 1.00 4.34 H new ATOM 308 N TYR A 25 -4.217 30.143 13.585 1.00 2.13 N ATOM 309 CA TYR A 25 -3.205 29.104 13.721 1.00 43.55 C ATOM 310 C TYR A 25 -3.772 27.879 14.432 1.00 44.21 C ATOM 311 O TYR A 25 -3.743 26.771 13.901 1.00 53.14 O ATOM 312 CB TYR A 25 -1.994 29.639 14.491 1.00 15.31 C ATOM 313 CG TYR A 25 -1.352 30.847 13.845 1.00 70.41 C ATOM 314 CD1 TYR A 25 -2.043 32.047 13.731 1.00 42.31 C ATOM 315 CD2 TYR A 25 -0.055 30.787 13.352 1.00 11.02 C ATOM 316 CE1 TYR A 25 -1.460 33.152 13.142 1.00 43.04 C ATOM 317 CE2 TYR A 25 0.535 31.888 12.762 1.00 44.54 C ATOM 318 CZ TYR A 25 -0.171 33.068 12.660 1.00 13.32 C ATOM 319 OH TYR A 25 0.414 34.167 12.073 1.00 20.34 O ATOM 0 H TYR A 25 -4.193 30.854 14.316 1.00 2.13 H new ATOM 0 HA TYR A 25 -2.890 28.807 12.721 1.00 43.55 H new ATOM 0 HB2 TYR A 25 -2.304 29.900 15.503 1.00 15.31 H new ATOM 0 HB3 TYR A 25 -1.251 28.846 14.579 1.00 15.31 H new ATOM 0 HD1 TYR A 25 -3.052 32.117 14.109 1.00 42.31 H new ATOM 0 HD2 TYR A 25 0.501 29.865 13.431 1.00 11.02 H new ATOM 0 HE1 TYR A 25 -2.011 34.077 13.059 1.00 43.04 H new ATOM 0 HE2 TYR A 25 1.544 31.825 12.383 1.00 44.54 H new ATOM 0 HH TYR A 25 1.324 33.940 11.788 1.00 20.34 H new ATOM 328 N ALA A 26 -4.288 28.090 15.638 1.00 63.12 N ATOM 329 CA ALA A 26 -4.866 27.006 16.423 1.00 41.02 C ATOM 330 C ALA A 26 -6.182 26.531 15.817 1.00 13.23 C ATOM 331 O ALA A 26 -6.388 25.334 15.619 1.00 1.23 O ATOM 332 CB ALA A 26 -5.075 27.449 17.863 1.00 65.22 C ATOM 0 H ALA A 26 -4.318 29.002 16.093 1.00 63.12 H new ATOM 0 HA ALA A 26 -4.167 26.169 16.410 1.00 41.02 H new ATOM 0 HB1 ALA A 26 -5.507 26.629 18.437 1.00 65.22 H new ATOM 0 HB2 ALA A 26 -4.117 27.732 18.299 1.00 65.22 H new ATOM 0 HB3 ALA A 26 -5.751 28.304 17.886 1.00 65.22 H new ATOM 338 N GLU A 27 -7.069 27.477 15.527 1.00 33.12 N ATOM 339 CA GLU A 27 -8.367 27.153 14.944 1.00 44.10 C ATOM 340 C GLU A 27 -8.211 26.204 13.760 1.00 54.21 C ATOM 341 O GLU A 27 -8.794 25.121 13.739 1.00 43.10 O ATOM 342 CB GLU A 27 -9.084 28.430 14.498 1.00 42.05 C ATOM 343 CG GLU A 27 -10.513 28.197 14.040 1.00 31.53 C ATOM 344 CD GLU A 27 -11.534 28.792 14.989 1.00 11.11 C ATOM 345 OE1 GLU A 27 -11.539 30.030 15.154 1.00 2.02 O ATOM 346 OE2 GLU A 27 -12.328 28.022 15.568 1.00 74.34 O ATOM 0 H GLU A 27 -6.914 28.473 15.686 1.00 33.12 H new ATOM 0 HA GLU A 27 -8.965 26.657 15.708 1.00 44.10 H new ATOM 0 HB2 GLU A 27 -9.087 29.142 15.323 1.00 42.05 H new ATOM 0 HB3 GLU A 27 -8.521 28.888 13.685 1.00 42.05 H new ATOM 0 HG2 GLU A 27 -10.648 28.630 13.049 1.00 31.53 H new ATOM 0 HG3 GLU A 27 -10.690 27.126 13.947 1.00 31.53 H new ATOM 351 N GLN A 28 -7.420 26.620 12.776 1.00 51.12 N ATOM 352 CA GLN A 28 -7.188 25.808 11.588 1.00 30.02 C ATOM 353 C GLN A 28 -6.826 24.376 11.969 1.00 73.23 C ATOM 354 O GLN A 28 -7.188 23.428 11.274 1.00 51.13 O ATOM 355 CB GLN A 28 -6.073 26.419 10.737 1.00 54.14 C ATOM 356 CG GLN A 28 -6.581 27.165 9.514 1.00 62.30 C ATOM 357 CD GLN A 28 -5.578 27.176 8.378 1.00 42.33 C ATOM 358 OE1 GLN A 28 -4.630 26.389 8.363 1.00 22.24 O ATOM 359 NE2 GLN A 28 -5.780 28.070 7.417 1.00 43.13 N ATOM 0 H GLN A 28 -6.929 27.514 12.778 1.00 51.12 H new ATOM 0 HA GLN A 28 -8.110 25.788 11.007 1.00 30.02 H new ATOM 0 HB2 GLN A 28 -5.490 27.103 11.354 1.00 54.14 H new ATOM 0 HB3 GLN A 28 -5.398 25.627 10.414 1.00 54.14 H new ATOM 0 HG2 GLN A 28 -7.507 26.704 9.171 1.00 62.30 H new ATOM 0 HG3 GLN A 28 -6.820 28.191 9.793 1.00 62.30 H new ATOM 0 HE21 GLN A 28 -6.578 28.703 7.469 1.00 43.13 H new ATOM 0 HE22 GLN A 28 -5.137 28.124 6.627 1.00 43.13 H new ATOM 366 N GLY A 29 -6.110 24.227 13.080 1.00 53.00 N ATOM 367 CA GLY A 29 -5.711 22.908 13.534 1.00 71.22 C ATOM 368 C GLY A 29 -6.849 22.153 14.191 1.00 60.52 C ATOM 369 O GLY A 29 -6.980 20.941 14.023 1.00 51.15 O ATOM 0 H GLY A 29 -5.799 24.996 13.673 1.00 53.00 H new ATOM 0 HA2 GLY A 29 -5.339 22.333 12.686 1.00 71.22 H new ATOM 0 HA3 GLY A 29 -4.887 23.004 14.241 1.00 71.22 H new ATOM 372 N LYS A 30 -7.675 22.870 14.947 1.00 44.43 N ATOM 373 CA LYS A 30 -8.807 22.261 15.634 1.00 1.00 C ATOM 374 C LYS A 30 -9.912 21.898 14.646 1.00 61.10 C ATOM 375 O LYS A 30 -10.424 20.779 14.659 1.00 22.23 O ATOM 376 CB LYS A 30 -9.354 23.212 16.700 1.00 20.52 C ATOM 377 CG LYS A 30 -8.985 22.815 18.118 1.00 73.22 C ATOM 378 CD LYS A 30 -8.685 24.030 18.979 1.00 0.41 C ATOM 379 CE LYS A 30 -7.421 24.740 18.518 1.00 22.44 C ATOM 380 NZ LYS A 30 -6.271 23.802 18.393 1.00 4.42 N ATOM 0 H LYS A 30 -7.581 23.874 15.099 1.00 44.43 H new ATOM 0 HA LYS A 30 -8.459 21.347 16.115 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -8.980 24.217 16.504 1.00 20.52 H new ATOM 0 HB3 LYS A 30 -10.440 23.254 16.615 1.00 20.52 H new ATOM 0 HG2 LYS A 30 -9.803 22.247 18.562 1.00 73.22 H new ATOM 0 HG3 LYS A 30 -8.115 22.159 18.098 1.00 73.22 H new ATOM 0 HD2 LYS A 30 -9.527 24.721 18.941 1.00 0.41 H new ATOM 0 HD3 LYS A 30 -8.572 23.722 20.019 1.00 0.41 H new ATOM 0 HE2 LYS A 30 -7.604 25.220 17.557 1.00 22.44 H new ATOM 0 HE3 LYS A 30 -7.170 25.530 19.226 1.00 22.44 H new ATOM 0 HZ1 LYS A 30 -5.383 24.343 18.362 1.00 4.42 H new ATOM 0 HZ2 LYS A 30 -6.257 23.159 19.211 1.00 4.42 H new ATOM 0 HZ3 LYS A 30 -6.369 23.248 17.519 1.00 4.42 H new ATOM 390 N GLU A 31 -10.271 22.850 13.791 1.00 44.41 N ATOM 391 CA GLU A 31 -11.314 22.629 12.796 1.00 31.20 C ATOM 392 C GLU A 31 -11.121 21.288 12.095 1.00 51.14 C ATOM 393 O GLU A 31 -12.087 20.645 11.684 1.00 32.34 O ATOM 394 CB GLU A 31 -11.315 23.760 11.766 1.00 20.44 C ATOM 395 CG GLU A 31 -10.013 23.882 10.993 1.00 64.30 C ATOM 396 CD GLU A 31 -10.135 24.787 9.782 1.00 60.33 C ATOM 397 OE1 GLU A 31 -11.076 25.607 9.748 1.00 60.31 O ATOM 398 OE2 GLU A 31 -9.291 24.675 8.870 1.00 40.35 O ATOM 0 H GLU A 31 -9.855 23.781 13.767 1.00 44.41 H new ATOM 0 HA GLU A 31 -12.275 22.616 13.311 1.00 31.20 H new ATOM 0 HB2 GLU A 31 -12.131 23.598 11.062 1.00 20.44 H new ATOM 0 HB3 GLU A 31 -11.515 24.703 12.275 1.00 20.44 H new ATOM 0 HG2 GLU A 31 -9.237 24.269 11.654 1.00 64.30 H new ATOM 0 HG3 GLU A 31 -9.692 22.891 10.671 1.00 64.30 H new ATOM 403 N TYR A 32 -9.866 20.872 11.961 1.00 55.14 N ATOM 404 CA TYR A 32 -9.546 19.609 11.307 1.00 44.35 C ATOM 405 C TYR A 32 -9.777 18.432 12.249 1.00 21.32 C ATOM 406 O TYR A 32 -10.208 17.360 11.826 1.00 54.22 O ATOM 407 CB TYR A 32 -8.093 19.613 10.828 1.00 4.45 C ATOM 408 CG TYR A 32 -7.631 18.281 10.283 1.00 64.04 C ATOM 409 CD1 TYR A 32 -7.416 17.200 11.129 1.00 54.44 C ATOM 410 CD2 TYR A 32 -7.406 18.104 8.923 1.00 23.10 C ATOM 411 CE1 TYR A 32 -6.993 15.981 10.635 1.00 64.05 C ATOM 412 CE2 TYR A 32 -6.984 16.889 8.422 1.00 74.22 C ATOM 413 CZ TYR A 32 -6.779 15.830 9.281 1.00 64.54 C ATOM 414 OH TYR A 32 -6.358 14.617 8.785 1.00 65.25 O ATOM 0 H TYR A 32 -9.055 21.391 12.297 1.00 55.14 H new ATOM 0 HA TYR A 32 -10.207 19.498 10.447 1.00 44.35 H new ATOM 0 HB2 TYR A 32 -7.976 20.372 10.055 1.00 4.45 H new ATOM 0 HB3 TYR A 32 -7.447 19.901 11.657 1.00 4.45 H new ATOM 0 HD1 TYR A 32 -7.582 17.314 12.190 1.00 54.44 H new ATOM 0 HD2 TYR A 32 -7.564 18.931 8.247 1.00 23.10 H new ATOM 0 HE1 TYR A 32 -6.831 15.150 11.306 1.00 64.05 H new ATOM 0 HE2 TYR A 32 -6.815 16.768 7.362 1.00 74.22 H new ATOM 0 HH TYR A 32 -6.256 14.679 7.812 1.00 65.25 H new ATOM 423 N ILE A 33 -9.490 18.642 13.530 1.00 4.42 N ATOM 424 CA ILE A 33 -9.669 17.601 14.533 1.00 63.10 C ATOM 425 C ILE A 33 -11.106 17.572 15.046 1.00 50.42 C ATOM 426 O ILE A 33 -11.798 16.561 14.928 1.00 74.12 O ATOM 427 CB ILE A 33 -8.715 17.799 15.726 1.00 41.20 C ATOM 428 CG1 ILE A 33 -7.316 17.284 15.379 1.00 11.34 C ATOM 429 CG2 ILE A 33 -9.254 17.091 16.959 1.00 33.42 C ATOM 430 CD1 ILE A 33 -6.603 18.125 14.344 1.00 44.31 C ATOM 0 H ILE A 33 -9.133 19.524 13.897 1.00 4.42 H new ATOM 0 HA ILE A 33 -9.440 16.653 14.047 1.00 63.10 H new ATOM 0 HB ILE A 33 -8.646 18.865 15.944 1.00 41.20 H new ATOM 0 HG12 ILE A 33 -6.714 17.252 16.287 1.00 11.34 H new ATOM 0 HG13 ILE A 33 -7.395 16.261 15.012 1.00 11.34 H new ATOM 0 HG21 ILE A 33 -8.568 17.240 17.793 1.00 33.42 H new ATOM 0 HG22 ILE A 33 -10.232 17.500 17.215 1.00 33.42 H new ATOM 0 HG23 ILE A 33 -9.349 16.025 16.754 1.00 33.42 H new ATOM 0 HD11 ILE A 33 -5.618 17.702 14.147 1.00 44.31 H new ATOM 0 HD12 ILE A 33 -7.184 18.137 13.422 1.00 44.31 H new ATOM 0 HD13 ILE A 33 -6.492 19.143 14.716 1.00 44.31 H new ATOM 441 N THR A 34 -11.548 18.690 15.613 1.00 10.41 N ATOM 442 CA THR A 34 -12.902 18.793 16.142 1.00 30.45 C ATOM 443 C THR A 34 -13.877 17.949 15.329 1.00 62.11 C ATOM 444 O THR A 34 -14.672 17.193 15.887 1.00 74.41 O ATOM 445 CB THR A 34 -13.391 20.254 16.153 1.00 33.02 C ATOM 446 OG1 THR A 34 -14.799 20.297 16.411 1.00 10.12 O ATOM 447 CG2 THR A 34 -13.094 20.934 14.824 1.00 64.55 C ATOM 0 H THR A 34 -10.988 19.536 15.718 1.00 10.41 H new ATOM 0 HA THR A 34 -12.870 18.420 17.166 1.00 30.45 H new ATOM 0 HB THR A 34 -12.860 20.786 16.943 1.00 33.02 H new ATOM 0 HG1 THR A 34 -15.102 21.229 16.418 1.00 10.12 H new ATOM 0 HG21 THR A 34 -13.448 21.964 14.855 1.00 64.55 H new ATOM 0 HG22 THR A 34 -12.019 20.925 14.643 1.00 64.55 H new ATOM 0 HG23 THR A 34 -13.602 20.400 14.021 1.00 64.55 H new ATOM 604 N PRO A 46 -11.360 -0.029 20.206 1.00 3.30 N ATOM 605 CA PRO A 46 -11.330 -0.212 21.660 1.00 71.24 C ATOM 606 C PRO A 46 -10.372 -1.320 22.084 1.00 41.22 C ATOM 607 O PRO A 46 -9.908 -1.350 23.223 1.00 25.25 O ATOM 608 CB PRO A 46 -12.773 -0.595 21.999 1.00 63.02 C ATOM 609 CG PRO A 46 -13.311 -1.195 20.746 1.00 42.51 C ATOM 610 CD PRO A 46 -12.636 -0.467 19.616 1.00 63.12 C ATOM 0 HA PRO A 46 -10.979 0.681 22.176 1.00 71.24 H new ATOM 0 HB2 PRO A 46 -12.810 -1.305 22.825 1.00 63.02 H new ATOM 0 HB3 PRO A 46 -13.353 0.277 22.301 1.00 63.02 H new ATOM 0 HG2 PRO A 46 -13.100 -2.264 20.703 1.00 42.51 H new ATOM 0 HG3 PRO A 46 -14.394 -1.081 20.692 1.00 42.51 H new ATOM 0 HD2 PRO A 46 -12.479 -1.118 18.756 1.00 63.12 H new ATOM 0 HD3 PRO A 46 -13.231 0.379 19.271 1.00 63.12 H new ATOM 615 N GLU A 47 -10.078 -2.230 21.159 1.00 3.23 N ATOM 616 CA GLU A 47 -9.175 -3.339 21.439 1.00 64.03 C ATOM 617 C GLU A 47 -7.734 -2.965 21.105 1.00 44.32 C ATOM 618 O GLU A 47 -6.809 -3.742 21.340 1.00 72.12 O ATOM 619 CB GLU A 47 -9.591 -4.577 20.642 1.00 44.54 C ATOM 620 CG GLU A 47 -9.795 -4.307 19.161 1.00 61.23 C ATOM 621 CD GLU A 47 -9.565 -5.538 18.306 1.00 33.34 C ATOM 622 OE1 GLU A 47 -8.394 -5.938 18.143 1.00 1.11 O ATOM 623 OE2 GLU A 47 -10.558 -6.102 17.801 1.00 14.44 O ATOM 0 H GLU A 47 -10.452 -2.220 20.210 1.00 3.23 H new ATOM 0 HA GLU A 47 -9.235 -3.564 22.504 1.00 64.03 H new ATOM 0 HB2 GLU A 47 -8.830 -5.348 20.761 1.00 44.54 H new ATOM 0 HB3 GLU A 47 -10.515 -4.975 21.061 1.00 44.54 H new ATOM 0 HG2 GLU A 47 -10.809 -3.941 18.999 1.00 61.23 H new ATOM 0 HG3 GLU A 47 -9.116 -3.516 18.843 1.00 61.23 H new ATOM 628 N ASP A 48 -7.552 -1.770 20.555 1.00 43.43 N ATOM 629 CA ASP A 48 -6.223 -1.291 20.188 1.00 34.14 C ATOM 630 C ASP A 48 -5.463 -0.803 21.417 1.00 61.03 C ATOM 631 O ASP A 48 -4.310 -0.388 21.320 1.00 44.43 O ATOM 632 CB ASP A 48 -6.330 -0.164 19.159 1.00 55.13 C ATOM 633 CG ASP A 48 -4.975 0.276 18.640 1.00 31.24 C ATOM 634 OD1 ASP A 48 -4.394 -0.450 17.806 1.00 74.21 O ATOM 635 OD2 ASP A 48 -4.497 1.347 19.066 1.00 62.10 O ATOM 0 H ASP A 48 -8.307 -1.115 20.353 1.00 43.43 H new ATOM 0 HA ASP A 48 -5.672 -2.123 19.749 1.00 34.14 H new ATOM 0 HB2 ASP A 48 -6.946 -0.496 18.323 1.00 55.13 H new ATOM 0 HB3 ASP A 48 -6.838 0.689 19.610 1.00 55.13 H new ATOM 639 N ASN A 49 -6.118 -0.855 22.572 1.00 33.04 N ATOM 640 CA ASN A 49 -5.505 -0.417 23.820 1.00 34.11 C ATOM 641 C ASN A 49 -4.216 -1.187 24.093 1.00 34.03 C ATOM 642 O ASN A 49 -3.337 -0.714 24.814 1.00 14.14 O ATOM 643 CB ASN A 49 -6.480 -0.602 24.984 1.00 43.44 C ATOM 644 CG ASN A 49 -6.377 0.513 26.008 1.00 13.10 C ATOM 645 OD1 ASN A 49 -5.433 0.563 26.794 1.00 65.44 O ATOM 646 ND2 ASN A 49 -7.352 1.414 25.999 1.00 31.51 N ATOM 0 H ASN A 49 -7.074 -1.196 22.669 1.00 33.04 H new ATOM 0 HA ASN A 49 -5.261 0.641 23.724 1.00 34.11 H new ATOM 0 HB2 ASN A 49 -7.498 -0.644 24.598 1.00 43.44 H new ATOM 0 HB3 ASN A 49 -6.284 -1.558 25.470 1.00 43.44 H new ATOM 0 HD21 ASN A 49 -7.337 2.188 26.663 1.00 31.51 H new ATOM 0 HD22 ASN A 49 -8.116 1.332 25.328 1.00 31.51 H new ATOM 652 N LYS A 50 -4.111 -2.377 23.510 1.00 25.42 N ATOM 653 CA LYS A 50 -2.930 -3.214 23.687 1.00 64.32 C ATOM 654 C LYS A 50 -1.897 -2.934 22.601 1.00 24.01 C ATOM 655 O LYS A 50 -0.712 -3.220 22.769 1.00 20.22 O ATOM 656 CB LYS A 50 -3.320 -4.694 23.666 1.00 22.33 C ATOM 657 CG LYS A 50 -2.311 -5.599 24.351 1.00 5.32 C ATOM 658 CD LYS A 50 -1.860 -6.724 23.434 1.00 60.34 C ATOM 659 CE LYS A 50 -1.560 -7.993 24.217 1.00 55.14 C ATOM 660 NZ LYS A 50 -1.003 -9.064 23.344 1.00 63.33 N ATOM 0 H LYS A 50 -4.830 -2.783 22.911 1.00 25.42 H new ATOM 0 HA LYS A 50 -2.488 -2.975 24.654 1.00 64.32 H new ATOM 0 HB2 LYS A 50 -4.289 -4.812 24.150 1.00 22.33 H new ATOM 0 HB3 LYS A 50 -3.439 -5.015 22.631 1.00 22.33 H new ATOM 0 HG2 LYS A 50 -1.446 -5.012 24.662 1.00 5.32 H new ATOM 0 HG3 LYS A 50 -2.752 -6.019 25.255 1.00 5.32 H new ATOM 0 HD2 LYS A 50 -2.635 -6.926 22.695 1.00 60.34 H new ATOM 0 HD3 LYS A 50 -0.970 -6.414 22.886 1.00 60.34 H new ATOM 0 HE2 LYS A 50 -0.851 -7.769 25.014 1.00 55.14 H new ATOM 0 HE3 LYS A 50 -2.473 -8.351 24.693 1.00 55.14 H new ATOM 0 HZ1 LYS A 50 -0.812 -9.912 23.914 1.00 63.33 H new ATOM 0 HZ2 LYS A 50 -1.690 -9.296 22.598 1.00 63.33 H new ATOM 0 HZ3 LYS A 50 -0.118 -8.732 22.909 1.00 63.33 H new ATOM 670 N GLY A 51 -2.354 -2.370 21.486 1.00 63.33 N ATOM 671 CA GLY A 51 -1.456 -2.060 20.390 1.00 62.14 C ATOM 672 C GLY A 51 -0.592 -0.846 20.673 1.00 71.21 C ATOM 673 O GLY A 51 0.523 -0.737 20.165 1.00 44.54 O ATOM 0 H GLY A 51 -3.330 -2.123 21.323 1.00 63.33 H new ATOM 0 HA2 GLY A 51 -0.816 -2.920 20.195 1.00 62.14 H new ATOM 0 HA3 GLY A 51 -2.039 -1.885 19.486 1.00 62.14 H new ATOM 676 N VAL A 52 -1.110 0.069 21.487 1.00 52.12 N ATOM 677 CA VAL A 52 -0.380 1.282 21.836 1.00 52.21 C ATOM 678 C VAL A 52 0.893 0.952 22.609 1.00 2.21 C ATOM 679 O VAL A 52 1.926 1.597 22.428 1.00 41.11 O ATOM 680 CB VAL A 52 -1.247 2.236 22.679 1.00 42.24 C ATOM 681 CG1 VAL A 52 -2.516 2.606 21.929 1.00 74.41 C ATOM 682 CG2 VAL A 52 -1.576 1.608 24.025 1.00 12.20 C ATOM 0 H VAL A 52 -2.032 -0.007 21.917 1.00 52.12 H new ATOM 0 HA VAL A 52 -0.117 1.775 20.900 1.00 52.21 H new ATOM 0 HB VAL A 52 -0.681 3.150 22.860 1.00 42.24 H new ATOM 0 HG11 VAL A 52 -3.116 3.280 22.540 1.00 74.41 H new ATOM 0 HG12 VAL A 52 -2.255 3.100 20.993 1.00 74.41 H new ATOM 0 HG13 VAL A 52 -3.089 1.703 21.715 1.00 74.41 H new ATOM 0 HG21 VAL A 52 -2.189 2.296 24.607 1.00 12.20 H new ATOM 0 HG22 VAL A 52 -2.123 0.678 23.869 1.00 12.20 H new ATOM 0 HG23 VAL A 52 -0.652 1.399 24.565 1.00 12.20 H new ATOM 692 N PHE A 53 0.811 -0.055 23.471 1.00 54.32 N ATOM 693 CA PHE A 53 1.957 -0.471 24.273 1.00 14.43 C ATOM 694 C PHE A 53 2.856 -1.419 23.485 1.00 4.54 C ATOM 695 O PHE A 53 3.973 -1.722 23.905 1.00 74.40 O ATOM 696 CB PHE A 53 1.485 -1.149 25.561 1.00 0.43 C ATOM 697 CG PHE A 53 1.056 -0.180 26.625 1.00 42.35 C ATOM 698 CD1 PHE A 53 1.986 0.383 27.485 1.00 73.22 C ATOM 699 CD2 PHE A 53 -0.277 0.169 26.766 1.00 74.43 C ATOM 700 CE1 PHE A 53 1.594 1.274 28.466 1.00 54.10 C ATOM 701 CE2 PHE A 53 -0.677 1.059 27.746 1.00 42.43 C ATOM 702 CZ PHE A 53 0.261 1.613 28.595 1.00 41.20 C ATOM 0 H PHE A 53 -0.037 -0.599 23.633 1.00 54.32 H new ATOM 0 HA PHE A 53 2.533 0.418 24.529 1.00 14.43 H new ATOM 0 HB2 PHE A 53 0.653 -1.813 25.329 1.00 0.43 H new ATOM 0 HB3 PHE A 53 2.290 -1.771 25.951 1.00 0.43 H new ATOM 0 HD1 PHE A 53 3.029 0.122 27.387 1.00 73.22 H new ATOM 0 HD2 PHE A 53 -1.013 -0.259 26.102 1.00 74.43 H new ATOM 0 HE1 PHE A 53 2.328 1.704 29.131 1.00 54.10 H new ATOM 0 HE2 PHE A 53 -1.720 1.320 27.847 1.00 42.43 H new ATOM 0 HZ PHE A 53 -0.047 2.311 29.359 1.00 41.20 H new ATOM 711 N GLN A 54 2.361 -1.882 22.342 1.00 44.25 N ATOM 712 CA GLN A 54 3.119 -2.796 21.496 1.00 43.35 C ATOM 713 C GLN A 54 4.357 -2.111 20.927 1.00 1.43 C ATOM 714 O GLN A 54 5.439 -2.695 20.886 1.00 52.04 O ATOM 715 CB GLN A 54 2.242 -3.319 20.358 1.00 43.11 C ATOM 716 CG GLN A 54 2.109 -4.833 20.339 1.00 54.32 C ATOM 717 CD GLN A 54 0.934 -5.327 21.160 1.00 13.31 C ATOM 718 OE1 GLN A 54 0.956 -5.272 22.390 1.00 13.05 O ATOM 719 NE2 GLN A 54 -0.100 -5.813 20.483 1.00 4.52 N ATOM 0 H GLN A 54 1.439 -1.639 21.980 1.00 44.25 H new ATOM 0 HA GLN A 54 3.441 -3.636 22.111 1.00 43.35 H new ATOM 0 HB2 GLN A 54 1.249 -2.876 20.443 1.00 43.11 H new ATOM 0 HB3 GLN A 54 2.659 -2.987 19.407 1.00 43.11 H new ATOM 0 HG2 GLN A 54 1.995 -5.171 19.309 1.00 54.32 H new ATOM 0 HG3 GLN A 54 3.027 -5.279 20.721 1.00 54.32 H new ATOM 0 HE21 GLN A 54 -0.075 -5.839 19.464 1.00 4.52 H new ATOM 0 HE22 GLN A 54 -0.919 -6.160 20.982 1.00 4.52 H new ATOM 726 N GLY A 55 4.189 -0.867 20.487 1.00 42.24 N ATOM 727 CA GLY A 55 5.301 -0.123 19.925 1.00 54.12 C ATOM 728 C GLY A 55 6.035 0.699 20.966 1.00 54.43 C ATOM 729 O GLY A 55 7.148 1.167 20.726 1.00 4.22 O ATOM 0 H GLY A 55 3.303 -0.362 20.510 1.00 42.24 H new ATOM 0 HA2 GLY A 55 5.999 -0.817 19.457 1.00 54.12 H new ATOM 0 HA3 GLY A 55 4.933 0.537 19.139 1.00 54.12 H new ATOM 732 N VAL A 56 5.410 0.875 22.125 1.00 25.31 N ATOM 733 CA VAL A 56 6.010 1.647 23.207 1.00 72.05 C ATOM 734 C VAL A 56 6.839 0.754 24.125 1.00 13.51 C ATOM 735 O VAL A 56 8.017 1.018 24.368 1.00 40.33 O ATOM 736 CB VAL A 56 4.938 2.370 24.045 1.00 55.43 C ATOM 737 CG1 VAL A 56 5.379 2.483 25.495 1.00 43.22 C ATOM 738 CG2 VAL A 56 4.642 3.742 23.460 1.00 54.51 C ATOM 0 H VAL A 56 4.489 0.494 22.339 1.00 25.31 H new ATOM 0 HA VAL A 56 6.659 2.390 22.743 1.00 72.05 H new ATOM 0 HB VAL A 56 4.021 1.782 24.015 1.00 55.43 H new ATOM 0 HG11 VAL A 56 4.609 2.996 26.071 1.00 43.22 H new ATOM 0 HG12 VAL A 56 5.535 1.486 25.907 1.00 43.22 H new ATOM 0 HG13 VAL A 56 6.310 3.048 25.549 1.00 43.22 H new ATOM 0 HG21 VAL A 56 3.883 4.239 24.064 1.00 54.51 H new ATOM 0 HG22 VAL A 56 5.553 4.341 23.457 1.00 54.51 H new ATOM 0 HG23 VAL A 56 4.278 3.631 22.439 1.00 54.51 H new ATOM 748 N HIS A 57 6.216 -0.305 24.631 1.00 24.11 N ATOM 749 CA HIS A 57 6.896 -1.239 25.523 1.00 11.11 C ATOM 750 C HIS A 57 8.143 -1.813 24.858 1.00 13.31 C ATOM 751 O HIS A 57 9.217 -1.853 25.458 1.00 22.42 O ATOM 752 CB HIS A 57 5.951 -2.371 25.927 1.00 43.42 C ATOM 753 CG HIS A 57 6.394 -3.112 27.150 1.00 74.22 C ATOM 754 ND1 HIS A 57 6.387 -4.488 27.240 1.00 33.15 N ATOM 755 CD2 HIS A 57 6.861 -2.661 28.338 1.00 71.13 C ATOM 756 CE1 HIS A 57 6.828 -4.852 28.431 1.00 4.11 C ATOM 757 NE2 HIS A 57 7.123 -3.762 29.116 1.00 41.31 N ATOM 0 H HIS A 57 5.242 -0.538 24.439 1.00 24.11 H new ATOM 0 HA HIS A 57 7.200 -0.695 26.417 1.00 11.11 H new ATOM 0 HB2 HIS A 57 4.957 -1.959 26.102 1.00 43.42 H new ATOM 0 HB3 HIS A 57 5.863 -3.074 25.098 1.00 43.42 H new ATOM 0 HD2 HIS A 57 7.001 -1.628 28.621 1.00 71.13 H new ATOM 0 HE1 HIS A 57 6.930 -5.868 28.784 1.00 4.11 H new ATOM 0 HE2 HIS A 57 7.487 -3.741 30.069 1.00 41.31 H new ATOM 764 N ASP A 58 7.992 -2.259 23.615 1.00 51.13 N ATOM 765 CA ASP A 58 9.106 -2.832 22.868 1.00 22.40 C ATOM 766 C ASP A 58 10.211 -1.799 22.662 1.00 32.13 C ATOM 767 O ASP A 58 11.357 -2.150 22.385 1.00 43.12 O ATOM 768 CB ASP A 58 8.624 -3.357 21.515 1.00 52.32 C ATOM 769 CG ASP A 58 9.445 -4.534 21.025 1.00 60.22 C ATOM 770 OD1 ASP A 58 9.816 -5.387 21.860 1.00 53.42 O ATOM 771 OD2 ASP A 58 9.716 -4.603 19.808 1.00 21.44 O ATOM 0 H ASP A 58 7.110 -2.235 23.104 1.00 51.13 H new ATOM 0 HA ASP A 58 9.512 -3.661 23.448 1.00 22.40 H new ATOM 0 HB2 ASP A 58 7.579 -3.655 21.596 1.00 52.32 H new ATOM 0 HB3 ASP A 58 8.670 -2.554 20.779 1.00 52.32 H new ATOM 775 N SER A 59 9.856 -0.526 22.799 1.00 62.12 N ATOM 776 CA SER A 59 10.816 0.558 22.623 1.00 22.24 C ATOM 777 C SER A 59 11.743 0.664 23.830 1.00 42.13 C ATOM 778 O SER A 59 12.873 1.137 23.719 1.00 54.41 O ATOM 779 CB SER A 59 10.084 1.885 22.410 1.00 44.14 C ATOM 780 OG SER A 59 10.850 2.765 21.603 1.00 34.41 O ATOM 0 H SER A 59 8.911 -0.219 23.031 1.00 62.12 H new ATOM 0 HA SER A 59 11.419 0.337 21.742 1.00 22.24 H new ATOM 0 HB2 SER A 59 9.119 1.700 21.938 1.00 44.14 H new ATOM 0 HB3 SER A 59 9.883 2.352 23.374 1.00 44.14 H new ATOM 0 HG SER A 59 10.361 3.605 21.480 1.00 34.41 H new ATOM 785 N ALA A 60 11.255 0.220 24.984 1.00 71.15 N ATOM 786 CA ALA A 60 12.040 0.261 26.212 1.00 62.11 C ATOM 787 C ALA A 60 13.195 -0.732 26.160 1.00 13.51 C ATOM 788 O ALA A 60 14.090 -0.701 27.003 1.00 4.40 O ATOM 789 CB ALA A 60 11.152 -0.023 27.416 1.00 14.53 C ATOM 0 H ALA A 60 10.320 -0.172 25.094 1.00 71.15 H new ATOM 0 HA ALA A 60 12.460 1.262 26.311 1.00 62.11 H new ATOM 0 HB1 ALA A 60 11.751 0.011 28.326 1.00 14.53 H new ATOM 0 HB2 ALA A 60 10.364 0.728 27.472 1.00 14.53 H new ATOM 0 HB3 ALA A 60 10.704 -1.011 27.313 1.00 14.53 H new ATOM 795 N GLU A 61 13.169 -1.612 25.163 1.00 75.42 N ATOM 796 CA GLU A 61 14.214 -2.615 25.003 1.00 42.33 C ATOM 797 C GLU A 61 15.598 -1.975 25.072 1.00 50.12 C ATOM 798 O GLU A 61 16.556 -2.589 25.542 1.00 22.41 O ATOM 799 CB GLU A 61 14.047 -3.350 23.671 1.00 72.41 C ATOM 800 CG GLU A 61 14.309 -2.477 22.456 1.00 44.34 C ATOM 801 CD GLU A 61 13.722 -3.054 21.183 1.00 61.11 C ATOM 802 OE1 GLU A 61 13.333 -4.241 21.194 1.00 51.34 O ATOM 803 OE2 GLU A 61 13.650 -2.319 20.177 1.00 22.24 O ATOM 0 H GLU A 61 12.436 -1.650 24.455 1.00 75.42 H new ATOM 0 HA GLU A 61 14.122 -3.331 25.820 1.00 42.33 H new ATOM 0 HB2 GLU A 61 14.726 -4.202 23.649 1.00 72.41 H new ATOM 0 HB3 GLU A 61 13.034 -3.748 23.610 1.00 72.41 H new ATOM 0 HG2 GLU A 61 13.889 -1.486 22.628 1.00 44.34 H new ATOM 0 HG3 GLU A 61 15.384 -2.350 22.330 1.00 44.34 H new ATOM 808 N LYS A 62 15.694 -0.738 24.600 1.00 4.34 N ATOM 809 CA LYS A 62 16.959 -0.011 24.608 1.00 50.23 C ATOM 810 C LYS A 62 17.290 0.488 26.010 1.00 42.24 C ATOM 811 O LYS A 62 18.401 0.293 26.502 1.00 62.11 O ATOM 812 CB LYS A 62 16.899 1.169 23.636 1.00 13.43 C ATOM 813 CG LYS A 62 16.328 0.809 22.275 1.00 23.44 C ATOM 814 CD LYS A 62 16.484 1.950 21.284 1.00 24.21 C ATOM 815 CE LYS A 62 15.703 3.180 21.723 1.00 61.13 C ATOM 816 NZ LYS A 62 15.788 4.278 20.720 1.00 42.24 N ATOM 0 H LYS A 62 14.911 -0.216 24.206 1.00 4.34 H new ATOM 0 HA LYS A 62 17.745 -0.696 24.290 1.00 50.23 H new ATOM 0 HB2 LYS A 62 16.293 1.961 24.077 1.00 13.43 H new ATOM 0 HB3 LYS A 62 17.903 1.571 23.504 1.00 13.43 H new ATOM 0 HG2 LYS A 62 16.832 -0.078 21.892 1.00 23.44 H new ATOM 0 HG3 LYS A 62 15.272 0.557 22.378 1.00 23.44 H new ATOM 0 HD2 LYS A 62 17.539 2.204 21.183 1.00 24.21 H new ATOM 0 HD3 LYS A 62 16.138 1.630 20.301 1.00 24.21 H new ATOM 0 HE2 LYS A 62 14.658 2.910 21.879 1.00 61.13 H new ATOM 0 HE3 LYS A 62 16.088 3.532 22.680 1.00 61.13 H new ATOM 0 HZ1 LYS A 62 15.243 5.098 21.056 1.00 42.24 H new ATOM 0 HZ2 LYS A 62 16.782 4.553 20.590 1.00 42.24 H new ATOM 0 HZ3 LYS A 62 15.398 3.951 19.813 1.00 42.24 H new ATOM 826 N GLY A 63 16.320 1.132 26.650 1.00 31.44 N ATOM 827 CA GLY A 63 16.529 1.648 27.990 1.00 35.45 C ATOM 828 C GLY A 63 16.638 0.545 29.025 1.00 13.32 C ATOM 829 O GLY A 63 16.999 0.796 30.175 1.00 44.53 O ATOM 0 H GLY A 63 15.392 1.306 26.264 1.00 31.44 H new ATOM 0 HA2 GLY A 63 17.438 2.249 28.007 1.00 35.45 H new ATOM 0 HA3 GLY A 63 15.704 2.310 28.254 1.00 35.45 H new ATOM 832 N LYS A 64 16.325 -0.680 28.617 1.00 31.22 N ATOM 833 CA LYS A 64 16.390 -1.826 29.517 1.00 14.24 C ATOM 834 C LYS A 64 17.732 -2.539 29.393 1.00 10.12 C ATOM 835 O LYS A 64 17.824 -3.749 29.603 1.00 4.52 O ATOM 836 CB LYS A 64 15.251 -2.802 29.213 1.00 74.32 C ATOM 837 CG LYS A 64 14.490 -3.252 30.449 1.00 33.43 C ATOM 838 CD LYS A 64 13.061 -3.645 30.111 1.00 1.11 C ATOM 839 CE LYS A 64 12.996 -5.039 29.506 1.00 34.51 C ATOM 840 NZ LYS A 64 13.303 -5.026 28.048 1.00 61.13 N ATOM 0 H LYS A 64 16.024 -0.905 27.669 1.00 31.22 H new ATOM 0 HA LYS A 64 16.286 -1.462 30.539 1.00 14.24 H new ATOM 0 HB2 LYS A 64 14.555 -2.330 28.519 1.00 74.32 H new ATOM 0 HB3 LYS A 64 15.659 -3.678 28.709 1.00 74.32 H new ATOM 0 HG2 LYS A 64 15.003 -4.099 30.905 1.00 33.43 H new ATOM 0 HG3 LYS A 64 14.483 -2.449 31.186 1.00 33.43 H new ATOM 0 HD2 LYS A 64 12.450 -3.609 31.013 1.00 1.11 H new ATOM 0 HD3 LYS A 64 12.640 -2.923 29.411 1.00 1.11 H new ATOM 0 HE2 LYS A 64 13.702 -5.691 30.020 1.00 34.51 H new ATOM 0 HE3 LYS A 64 12.002 -5.458 29.664 1.00 34.51 H new ATOM 0 HZ1 LYS A 64 12.763 -5.778 27.573 1.00 61.13 H new ATOM 0 HZ2 LYS A 64 13.040 -4.104 27.646 1.00 61.13 H new ATOM 0 HZ3 LYS A 64 14.321 -5.188 27.906 1.00 61.13 H new ATOM 850 N ASP A 65 18.769 -1.782 29.053 1.00 51.24 N ATOM 851 CA ASP A 65 20.108 -2.342 28.904 1.00 20.23 C ATOM 852 C ASP A 65 20.977 -1.999 30.110 1.00 43.34 C ATOM 853 O ASP A 65 22.197 -2.157 30.073 1.00 73.41 O ATOM 854 CB ASP A 65 20.762 -1.821 27.624 1.00 53.03 C ATOM 855 CG ASP A 65 21.777 -2.794 27.055 1.00 30.01 C ATOM 856 OD1 ASP A 65 21.582 -4.017 27.218 1.00 41.41 O ATOM 857 OD2 ASP A 65 22.765 -2.332 26.447 1.00 75.11 O ATOM 0 H ASP A 65 18.709 -0.779 28.875 1.00 51.24 H new ATOM 0 HA ASP A 65 20.017 -3.426 28.841 1.00 20.23 H new ATOM 0 HB2 ASP A 65 19.991 -1.627 26.878 1.00 53.03 H new ATOM 0 HB3 ASP A 65 21.252 -0.869 27.831 1.00 53.03 H new ATOM 861 N ASN A 66 20.340 -1.527 31.178 1.00 54.41 N ATOM 862 CA ASN A 66 21.056 -1.161 32.394 1.00 43.10 C ATOM 863 C ASN A 66 21.993 -2.281 32.834 1.00 75.22 C ATOM 864 O ASN A 66 22.963 -2.047 33.552 1.00 43.33 O ATOM 865 CB ASN A 66 20.066 -0.839 33.515 1.00 23.43 C ATOM 866 CG ASN A 66 18.749 -1.573 33.352 1.00 63.24 C ATOM 867 OD1 ASN A 66 18.824 -2.883 33.146 1.00 44.05 O flip ATOM 868 ND2 ASN A 66 17.677 -0.970 33.413 1.00 12.50 N flip ATOM 0 H ASN A 66 19.330 -1.389 31.225 1.00 54.41 H new ATOM 0 HA ASN A 66 21.655 -0.276 32.180 1.00 43.10 H new ATOM 0 HB2 ASN A 66 20.510 -1.103 34.475 1.00 23.43 H new ATOM 0 HB3 ASN A 66 19.880 0.235 33.535 1.00 23.43 H new ATOM 0 HD21 ASN A 66 17.667 0.037 33.573 1.00 12.50 H new ATOM 0 HD22 ASN A 66 16.799 -1.478 33.304 1.00 12.50 H new ATOM 874 N ALA A 67 21.694 -3.500 32.396 1.00 72.55 N ATOM 875 CA ALA A 67 22.510 -4.658 32.742 1.00 34.34 C ATOM 876 C ALA A 67 23.966 -4.441 32.344 1.00 74.55 C ATOM 877 O ALA A 67 24.868 -5.072 32.893 1.00 52.21 O ATOM 878 CB ALA A 67 21.958 -5.911 32.077 1.00 1.33 C ATOM 0 H ALA A 67 20.893 -3.711 31.801 1.00 72.55 H new ATOM 0 HA ALA A 67 22.472 -4.789 33.823 1.00 34.34 H new ATOM 0 HB1 ALA A 67 22.577 -6.767 32.344 1.00 1.33 H new ATOM 0 HB2 ALA A 67 20.936 -6.082 32.415 1.00 1.33 H new ATOM 0 HB3 ALA A 67 21.965 -5.782 30.995 1.00 1.33 H new ATOM 947 N LEU A 74 27.919 0.245 40.215 1.00 74.22 N ATOM 948 CA LEU A 74 28.332 -1.033 40.787 1.00 42.10 C ATOM 949 C LEU A 74 27.550 -1.338 42.060 1.00 21.34 C ATOM 950 O LEU A 74 27.549 -2.469 42.543 1.00 22.21 O ATOM 951 CB LEU A 74 29.832 -1.017 41.088 1.00 35.21 C ATOM 952 CG LEU A 74 30.759 -1.167 39.882 1.00 51.44 C ATOM 953 CD1 LEU A 74 30.427 -2.432 39.105 1.00 22.53 C ATOM 954 CD2 LEU A 74 30.664 0.055 38.979 1.00 64.22 C ATOM 0 HA LEU A 74 28.121 -1.815 40.058 1.00 42.10 H new ATOM 0 HB2 LEU A 74 30.071 -0.080 41.591 1.00 35.21 H new ATOM 0 HB3 LEU A 74 30.050 -1.821 41.791 1.00 35.21 H new ATOM 0 HG LEU A 74 31.783 -1.247 40.246 1.00 51.44 H new ATOM 0 HD11 LEU A 74 31.098 -2.521 38.250 1.00 22.53 H new ATOM 0 HD12 LEU A 74 30.549 -3.300 39.753 1.00 22.53 H new ATOM 0 HD13 LEU A 74 29.396 -2.383 38.754 1.00 22.53 H new ATOM 0 HD21 LEU A 74 31.331 -0.070 38.126 1.00 64.22 H new ATOM 0 HD22 LEU A 74 29.639 0.167 38.625 1.00 64.22 H new ATOM 0 HD23 LEU A 74 30.954 0.944 39.539 1.00 64.22 H new ATOM 965 N ALA A 75 26.883 -0.321 42.596 1.00 61.53 N ATOM 966 CA ALA A 75 26.093 -0.482 43.811 1.00 23.13 C ATOM 967 C ALA A 75 24.723 -1.076 43.500 1.00 51.51 C ATOM 968 O ALA A 75 24.119 -1.740 44.342 1.00 24.44 O ATOM 969 CB ALA A 75 25.941 0.855 44.522 1.00 22.53 C ATOM 0 H ALA A 75 26.874 0.622 42.208 1.00 61.53 H new ATOM 0 HA ALA A 75 26.619 -1.174 44.469 1.00 23.13 H new ATOM 0 HB1 ALA A 75 25.349 0.720 45.427 1.00 22.53 H new ATOM 0 HB2 ALA A 75 26.926 1.241 44.786 1.00 22.53 H new ATOM 0 HB3 ALA A 75 25.439 1.563 43.862 1.00 22.53 H new ATOM 975 N ASP A 76 24.239 -0.832 42.287 1.00 42.24 N ATOM 976 CA ASP A 76 22.940 -1.344 41.865 1.00 13.10 C ATOM 977 C ASP A 76 22.881 -2.862 42.011 1.00 11.41 C ATOM 978 O ASP A 76 21.884 -3.411 42.478 1.00 22.42 O ATOM 979 CB ASP A 76 22.659 -0.947 40.415 1.00 74.12 C ATOM 980 CG ASP A 76 21.372 -1.553 39.889 1.00 52.15 C ATOM 981 OD1 ASP A 76 20.297 -0.969 40.134 1.00 14.23 O ATOM 982 OD2 ASP A 76 21.443 -2.612 39.230 1.00 31.54 O ATOM 0 H ASP A 76 24.726 -0.283 41.579 1.00 42.24 H new ATOM 0 HA ASP A 76 22.177 -0.905 42.508 1.00 13.10 H new ATOM 0 HB2 ASP A 76 22.602 0.139 40.343 1.00 74.12 H new ATOM 0 HB3 ASP A 76 23.491 -1.265 39.786 1.00 74.12 H new ATOM 986 N GLN A 77 23.954 -3.532 41.605 1.00 63.51 N ATOM 987 CA GLN A 77 24.022 -4.986 41.690 1.00 53.35 C ATOM 988 C GLN A 77 24.356 -5.435 43.109 1.00 24.32 C ATOM 989 O GLN A 77 23.812 -6.422 43.602 1.00 70.55 O ATOM 990 CB GLN A 77 25.068 -5.527 40.713 1.00 1.42 C ATOM 991 CG GLN A 77 26.457 -5.657 41.319 1.00 12.45 C ATOM 992 CD GLN A 77 27.508 -6.031 40.293 1.00 13.53 C ATOM 993 OE1 GLN A 77 27.447 -7.101 39.687 1.00 50.14 O ATOM 994 NE2 GLN A 77 28.480 -5.149 40.092 1.00 45.23 N ATOM 0 H GLN A 77 24.787 -3.092 41.214 1.00 63.51 H new ATOM 0 HA GLN A 77 23.044 -5.385 41.423 1.00 53.35 H new ATOM 0 HB2 GLN A 77 24.745 -6.504 40.352 1.00 1.42 H new ATOM 0 HB3 GLN A 77 25.119 -4.868 39.846 1.00 1.42 H new ATOM 0 HG2 GLN A 77 26.734 -4.714 41.790 1.00 12.45 H new ATOM 0 HG3 GLN A 77 26.437 -6.412 42.105 1.00 12.45 H new ATOM 0 HE21 GLN A 77 28.491 -4.274 40.617 1.00 45.23 H new ATOM 0 HE22 GLN A 77 29.215 -5.346 39.413 1.00 45.23 H new ATOM 1001 N ALA A 78 25.253 -4.701 43.760 1.00 71.25 N ATOM 1002 CA ALA A 78 25.658 -5.023 45.124 1.00 50.31 C ATOM 1003 C ALA A 78 24.455 -5.408 45.977 1.00 54.21 C ATOM 1004 O ALA A 78 24.561 -6.243 46.876 1.00 73.40 O ATOM 1005 CB ALA A 78 26.395 -3.847 45.747 1.00 51.51 C ATOM 0 H ALA A 78 25.713 -3.880 43.366 1.00 71.25 H new ATOM 0 HA ALA A 78 26.331 -5.879 45.084 1.00 50.31 H new ATOM 0 HB1 ALA A 78 26.691 -4.101 46.765 1.00 51.51 H new ATOM 0 HB2 ALA A 78 27.283 -3.620 45.157 1.00 51.51 H new ATOM 0 HB3 ALA A 78 25.740 -2.976 45.767 1.00 51.51 H new ATOM 1011 N ARG A 79 23.311 -4.794 45.690 1.00 44.04 N ATOM 1012 CA ARG A 79 22.088 -5.072 46.434 1.00 15.31 C ATOM 1013 C ARG A 79 21.485 -6.407 46.008 1.00 20.43 C ATOM 1014 O ARG A 79 21.350 -7.325 46.817 1.00 21.02 O ATOM 1015 CB ARG A 79 21.071 -3.949 46.221 1.00 30.43 C ATOM 1016 CG ARG A 79 21.611 -2.568 46.554 1.00 14.54 C ATOM 1017 CD ARG A 79 20.496 -1.535 46.619 1.00 30.23 C ATOM 1018 NE ARG A 79 20.504 -0.647 45.460 1.00 61.21 N ATOM 1019 CZ ARG A 79 19.925 -0.945 44.302 1.00 3.32 C ATOM 1020 NH1 ARG A 79 19.296 -2.101 44.150 1.00 31.43 N ATOM 1021 NH2 ARG A 79 19.975 -0.083 43.294 1.00 53.30 N ATOM 0 H ARG A 79 23.206 -4.102 44.948 1.00 44.04 H new ATOM 0 HA ARG A 79 22.340 -5.128 47.493 1.00 15.31 H new ATOM 0 HB2 ARG A 79 20.742 -3.960 45.182 1.00 30.43 H new ATOM 0 HB3 ARG A 79 20.192 -4.144 46.836 1.00 30.43 H new ATOM 0 HG2 ARG A 79 22.134 -2.601 47.510 1.00 14.54 H new ATOM 0 HG3 ARG A 79 22.341 -2.270 45.801 1.00 14.54 H new ATOM 0 HD2 ARG A 79 19.534 -2.044 46.679 1.00 30.23 H new ATOM 0 HD3 ARG A 79 20.602 -0.944 47.529 1.00 30.23 H new ATOM 0 HE ARG A 79 20.980 0.251 45.544 1.00 61.21 H new ATOM 0 HH11 ARG A 79 19.255 -2.765 44.923 1.00 31.43 H new ATOM 0 HH12 ARG A 79 18.852 -2.327 43.260 1.00 31.43 H new ATOM 0 HH21 ARG A 79 20.458 0.808 43.408 1.00 53.30 H new ATOM 0 HH22 ARG A 79 19.531 -0.312 42.405 1.00 53.30 H new ATOM 1032 N ASP A 80 21.122 -6.507 44.734 1.00 30.10 N ATOM 1033 CA ASP A 80 20.533 -7.730 44.200 1.00 25.53 C ATOM 1034 C ASP A 80 21.599 -8.800 43.990 1.00 63.50 C ATOM 1035 O ASP A 80 21.466 -9.926 44.472 1.00 53.42 O ATOM 1036 CB ASP A 80 19.815 -7.441 42.881 1.00 50.54 C ATOM 1037 CG ASP A 80 18.473 -6.769 43.086 1.00 73.51 C ATOM 1038 OD1 ASP A 80 18.045 -6.642 44.253 1.00 31.24 O ATOM 1039 OD2 ASP A 80 17.849 -6.370 42.081 1.00 0.42 O ATOM 0 H ASP A 80 21.225 -5.756 44.052 1.00 30.10 H new ATOM 0 HA ASP A 80 19.809 -8.102 44.925 1.00 25.53 H new ATOM 0 HB2 ASP A 80 20.445 -6.805 42.260 1.00 50.54 H new ATOM 0 HB3 ASP A 80 19.671 -8.375 42.337 1.00 50.54 H new ATOM 1043 N TYR A 81 22.656 -8.442 43.270 1.00 32.31 N ATOM 1044 CA TYR A 81 23.743 -9.373 42.993 1.00 62.13 C ATOM 1045 C TYR A 81 24.099 -10.181 44.237 1.00 24.50 C ATOM 1046 O TYR A 81 23.949 -11.402 44.262 1.00 40.32 O ATOM 1047 CB TYR A 81 24.976 -8.616 42.494 1.00 35.03 C ATOM 1048 CG TYR A 81 25.911 -9.464 41.663 1.00 44.05 C ATOM 1049 CD1 TYR A 81 25.425 -10.278 40.646 1.00 43.33 C ATOM 1050 CD2 TYR A 81 27.282 -9.454 41.895 1.00 21.22 C ATOM 1051 CE1 TYR A 81 26.277 -11.055 39.885 1.00 13.03 C ATOM 1052 CE2 TYR A 81 28.140 -10.227 41.138 1.00 64.42 C ATOM 1053 CZ TYR A 81 27.634 -11.026 40.135 1.00 33.04 C ATOM 1054 OH TYR A 81 28.485 -11.798 39.379 1.00 40.23 O ATOM 0 H TYR A 81 22.783 -7.513 42.867 1.00 32.31 H new ATOM 0 HA TYR A 81 23.408 -10.062 42.218 1.00 62.13 H new ATOM 0 HB2 TYR A 81 24.652 -7.760 41.902 1.00 35.03 H new ATOM 0 HB3 TYR A 81 25.522 -8.222 43.351 1.00 35.03 H new ATOM 0 HD1 TYR A 81 24.364 -10.303 40.448 1.00 43.33 H new ATOM 0 HD2 TYR A 81 27.683 -8.831 42.681 1.00 21.22 H new ATOM 0 HE1 TYR A 81 25.883 -11.682 39.099 1.00 13.03 H new ATOM 0 HE2 TYR A 81 29.202 -10.206 41.331 1.00 64.42 H new ATOM 0 HH TYR A 81 29.407 -11.661 39.682 1.00 40.23 H new ATOM 1063 N MET A 82 24.570 -9.488 45.270 1.00 63.41 N ATOM 1064 CA MET A 82 24.945 -10.140 46.519 1.00 73.40 C ATOM 1065 C MET A 82 23.859 -11.110 46.975 1.00 15.42 C ATOM 1066 O MET A 82 24.152 -12.180 47.506 1.00 31.01 O ATOM 1067 CB MET A 82 25.200 -9.096 47.608 1.00 13.01 C ATOM 1068 CG MET A 82 23.937 -8.641 48.322 1.00 62.22 C ATOM 1069 SD MET A 82 24.277 -7.493 49.671 1.00 13.35 S ATOM 1070 CE MET A 82 22.617 -6.983 50.107 1.00 2.44 C ATOM 0 H MET A 82 24.701 -8.476 45.266 1.00 63.41 H new ATOM 0 HA MET A 82 25.861 -10.704 46.343 1.00 73.40 H new ATOM 0 HB2 MET A 82 25.893 -9.509 48.341 1.00 13.01 H new ATOM 0 HB3 MET A 82 25.688 -8.229 47.162 1.00 13.01 H new ATOM 0 HG2 MET A 82 23.270 -8.164 47.604 1.00 62.22 H new ATOM 0 HG3 MET A 82 23.412 -9.512 48.715 1.00 62.22 H new ATOM 0 HE1 MET A 82 22.587 -5.899 50.221 1.00 2.44 H new ATOM 0 HE2 MET A 82 21.925 -7.284 49.320 1.00 2.44 H new ATOM 0 HE3 MET A 82 22.326 -7.455 51.046 1.00 2.44 H new ATOM 1078 N GLY A 83 22.603 -10.728 46.760 1.00 61.21 N ATOM 1079 CA GLY A 83 21.493 -11.576 47.155 1.00 2.31 C ATOM 1080 C GLY A 83 21.362 -12.805 46.278 1.00 34.44 C ATOM 1081 O GLY A 83 21.415 -13.933 46.767 1.00 14.34 O ATOM 0 H GLY A 83 22.335 -9.848 46.320 1.00 61.21 H new ATOM 0 HA2 GLY A 83 21.627 -11.886 48.191 1.00 2.31 H new ATOM 0 HA3 GLY A 83 20.568 -11.002 47.111 1.00 2.31 H new ATOM 1084 N ALA A 84 21.188 -12.587 44.978 1.00 72.51 N ATOM 1085 CA ALA A 84 21.049 -13.686 44.031 1.00 32.03 C ATOM 1086 C ALA A 84 22.232 -14.643 44.123 1.00 55.24 C ATOM 1087 O ALA A 84 22.150 -15.791 43.686 1.00 20.34 O ATOM 1088 CB ALA A 84 20.912 -13.148 42.614 1.00 41.32 C ATOM 0 H ALA A 84 21.140 -11.659 44.557 1.00 72.51 H new ATOM 0 HA ALA A 84 20.146 -14.241 44.286 1.00 32.03 H new ATOM 0 HB1 ALA A 84 20.809 -13.980 41.917 1.00 41.32 H new ATOM 0 HB2 ALA A 84 20.030 -12.510 42.551 1.00 41.32 H new ATOM 0 HB3 ALA A 84 21.799 -12.568 42.358 1.00 41.32 H new ATOM 1094 N ALA A 85 23.332 -14.164 44.695 1.00 0.34 N ATOM 1095 CA ALA A 85 24.532 -14.978 44.845 1.00 12.31 C ATOM 1096 C ALA A 85 24.537 -15.705 46.184 1.00 65.52 C ATOM 1097 O ALA A 85 24.300 -16.911 46.250 1.00 34.12 O ATOM 1098 CB ALA A 85 25.777 -14.114 44.705 1.00 3.15 C ATOM 0 H ALA A 85 23.417 -13.216 45.062 1.00 0.34 H new ATOM 0 HA ALA A 85 24.534 -15.728 44.054 1.00 12.31 H new ATOM 0 HB1 ALA A 85 26.666 -14.735 44.819 1.00 3.15 H new ATOM 0 HB2 ALA A 85 25.786 -13.645 43.721 1.00 3.15 H new ATOM 0 HB3 ALA A 85 25.773 -13.342 45.474 1.00 3.15 H new ATOM 1104 N LYS A 86 24.810 -14.964 47.254 1.00 50.44 N ATOM 1105 CA LYS A 86 24.847 -15.537 48.594 1.00 52.34 C ATOM 1106 C LYS A 86 23.647 -16.448 48.829 1.00 21.45 C ATOM 1107 O LYS A 86 23.748 -17.457 49.526 1.00 11.14 O ATOM 1108 CB LYS A 86 24.871 -14.426 49.646 1.00 40.11 C ATOM 1109 CG LYS A 86 23.525 -13.753 49.851 1.00 12.10 C ATOM 1110 CD LYS A 86 22.731 -14.424 50.960 1.00 23.35 C ATOM 1111 CE LYS A 86 22.861 -13.668 52.273 1.00 22.22 C ATOM 1112 NZ LYS A 86 22.209 -12.330 52.211 1.00 44.43 N ATOM 0 H LYS A 86 25.009 -13.964 47.218 1.00 50.44 H new ATOM 0 HA LYS A 86 25.756 -16.132 48.683 1.00 52.34 H new ATOM 0 HB2 LYS A 86 25.207 -14.843 50.595 1.00 40.11 H new ATOM 0 HB3 LYS A 86 25.603 -13.674 49.351 1.00 40.11 H new ATOM 0 HG2 LYS A 86 23.676 -12.701 50.095 1.00 12.10 H new ATOM 0 HG3 LYS A 86 22.955 -13.786 48.922 1.00 12.10 H new ATOM 0 HD2 LYS A 86 21.681 -14.481 50.674 1.00 23.35 H new ATOM 0 HD3 LYS A 86 23.081 -15.448 51.092 1.00 23.35 H new ATOM 0 HE2 LYS A 86 22.412 -14.254 53.075 1.00 22.22 H new ATOM 0 HE3 LYS A 86 23.916 -13.547 52.519 1.00 22.22 H new ATOM 0 HZ1 LYS A 86 21.955 -12.023 53.172 1.00 44.43 H new ATOM 0 HZ2 LYS A 86 22.866 -11.643 51.790 1.00 44.43 H new ATOM 0 HZ3 LYS A 86 21.350 -12.389 51.628 1.00 44.43 H new ATOM 1122 N SER A 87 22.510 -16.086 48.242 1.00 1.22 N ATOM 1123 CA SER A 87 21.290 -16.869 48.389 1.00 60.52 C ATOM 1124 C SER A 87 21.316 -18.093 47.478 1.00 21.52 C ATOM 1125 O SER A 87 21.380 -19.229 47.946 1.00 24.50 O ATOM 1126 CB SER A 87 20.065 -16.009 48.072 1.00 54.22 C ATOM 1127 OG SER A 87 18.957 -16.385 48.870 1.00 33.22 O ATOM 0 H SER A 87 22.409 -15.255 47.660 1.00 1.22 H new ATOM 0 HA SER A 87 21.229 -17.209 49.423 1.00 60.52 H new ATOM 0 HB2 SER A 87 20.300 -14.959 48.243 1.00 54.22 H new ATOM 0 HB3 SER A 87 19.809 -16.111 47.017 1.00 54.22 H new ATOM 0 HG SER A 87 18.188 -15.819 48.649 1.00 33.22 H new ATOM 1132 N LYS A 88 21.266 -17.851 46.172 1.00 62.31 N ATOM 1133 CA LYS A 88 21.285 -18.932 45.193 1.00 2.40 C ATOM 1134 C LYS A 88 22.596 -19.709 45.266 1.00 72.53 C ATOM 1135 O LYS A 88 22.601 -20.914 45.522 1.00 61.21 O ATOM 1136 CB LYS A 88 21.091 -18.371 43.782 1.00 61.42 C ATOM 1137 CG LYS A 88 20.280 -19.279 42.874 1.00 33.51 C ATOM 1138 CD LYS A 88 21.160 -19.974 41.848 1.00 4.23 C ATOM 1139 CE LYS A 88 21.417 -19.084 40.642 1.00 33.22 C ATOM 1140 NZ LYS A 88 22.744 -18.414 40.719 1.00 44.31 N ATOM 0 H LYS A 88 21.212 -16.916 45.767 1.00 62.31 H new ATOM 0 HA LYS A 88 20.466 -19.613 45.424 1.00 2.40 H new ATOM 0 HB2 LYS A 88 20.596 -17.402 43.850 1.00 61.42 H new ATOM 0 HB3 LYS A 88 22.068 -18.198 43.331 1.00 61.42 H new ATOM 0 HG2 LYS A 88 19.761 -20.026 43.475 1.00 33.51 H new ATOM 0 HG3 LYS A 88 19.516 -18.694 42.362 1.00 33.51 H new ATOM 0 HD2 LYS A 88 22.109 -20.249 42.308 1.00 4.23 H new ATOM 0 HD3 LYS A 88 20.683 -20.899 41.524 1.00 4.23 H new ATOM 0 HE2 LYS A 88 21.364 -19.682 39.732 1.00 33.22 H new ATOM 0 HE3 LYS A 88 20.633 -18.330 40.574 1.00 33.22 H new ATOM 0 HZ1 LYS A 88 23.031 -18.102 39.769 1.00 44.31 H new ATOM 0 HZ2 LYS A 88 22.681 -17.590 41.350 1.00 44.31 H new ATOM 0 HZ3 LYS A 88 23.449 -19.082 41.092 1.00 44.31 H new ATOM 1150 N LEU A 89 23.705 -19.013 45.042 1.00 50.04 N ATOM 1151 CA LEU A 89 25.022 -19.638 45.085 1.00 13.24 C ATOM 1152 C LEU A 89 25.151 -20.555 46.297 1.00 73.01 C ATOM 1153 O LEU A 89 25.475 -21.735 46.163 1.00 44.21 O ATOM 1154 CB LEU A 89 26.116 -18.569 45.122 1.00 33.24 C ATOM 1155 CG LEU A 89 27.541 -19.056 44.861 1.00 60.34 C ATOM 1156 CD1 LEU A 89 28.317 -18.028 44.052 1.00 72.54 C ATOM 1157 CD2 LEU A 89 28.252 -19.352 46.174 1.00 61.10 C ATOM 0 H LEU A 89 23.718 -18.016 44.829 1.00 50.04 H new ATOM 0 HA LEU A 89 25.140 -20.239 44.183 1.00 13.24 H new ATOM 0 HB2 LEU A 89 25.874 -17.805 44.383 1.00 33.24 H new ATOM 0 HB3 LEU A 89 26.092 -18.087 46.099 1.00 33.24 H new ATOM 0 HG LEU A 89 27.489 -19.979 44.283 1.00 60.34 H new ATOM 0 HD11 LEU A 89 29.329 -18.392 43.876 1.00 72.54 H new ATOM 0 HD12 LEU A 89 27.819 -17.865 43.096 1.00 72.54 H new ATOM 0 HD13 LEU A 89 28.360 -17.089 44.603 1.00 72.54 H new ATOM 0 HD21 LEU A 89 29.265 -19.698 45.969 1.00 61.10 H new ATOM 0 HD22 LEU A 89 28.293 -18.446 46.778 1.00 61.10 H new ATOM 0 HD23 LEU A 89 27.708 -20.125 46.716 1.00 61.10 H new ATOM 1168 N ASN A 90 24.892 -20.005 47.478 1.00 43.03 N ATOM 1169 CA ASN A 90 24.978 -20.774 48.715 1.00 72.04 C ATOM 1170 C ASN A 90 23.862 -21.812 48.788 1.00 14.22 C ATOM 1171 O ASN A 90 24.119 -23.005 48.952 1.00 41.15 O ATOM 1172 CB ASN A 90 24.903 -19.843 49.926 1.00 54.00 C ATOM 1173 CG ASN A 90 25.649 -20.394 51.126 1.00 10.12 C ATOM 1174 OD1 ASN A 90 26.863 -20.227 51.247 1.00 70.30 O ATOM 1175 ND2 ASN A 90 24.923 -21.056 52.020 1.00 2.34 N ATOM 0 H ASN A 90 24.621 -19.030 47.605 1.00 43.03 H new ATOM 0 HA ASN A 90 25.936 -21.294 48.724 1.00 72.04 H new ATOM 0 HB2 ASN A 90 25.317 -18.871 49.659 1.00 54.00 H new ATOM 0 HB3 ASN A 90 23.859 -19.682 50.193 1.00 54.00 H new ATOM 0 HD21 ASN A 90 25.369 -21.450 52.848 1.00 2.34 H new ATOM 0 HD22 ASN A 90 23.919 -21.170 51.878 1.00 2.34 H new ATOM 1181 N ASP A 91 22.622 -21.350 48.664 1.00 2.52 N ATOM 1182 CA ASP A 91 21.467 -22.238 48.713 1.00 64.41 C ATOM 1183 C ASP A 91 21.500 -23.239 47.563 1.00 70.24 C ATOM 1184 O ASP A 91 20.759 -24.221 47.560 1.00 32.43 O ATOM 1185 CB ASP A 91 20.171 -21.426 48.662 1.00 61.23 C ATOM 1186 CG ASP A 91 18.960 -22.245 49.060 1.00 34.34 C ATOM 1187 OD1 ASP A 91 18.488 -23.050 48.229 1.00 61.44 O ATOM 1188 OD2 ASP A 91 18.482 -22.083 50.203 1.00 11.32 O ATOM 0 H ASP A 91 22.392 -20.366 48.529 1.00 2.52 H new ATOM 0 HA ASP A 91 21.505 -22.791 49.652 1.00 64.41 H new ATOM 0 HB2 ASP A 91 20.258 -20.566 49.325 1.00 61.23 H new ATOM 0 HB3 ASP A 91 20.028 -21.038 47.654 1.00 61.23 H new ATOM 1192 N ALA A 92 22.366 -22.983 46.587 1.00 25.34 N ATOM 1193 CA ALA A 92 22.496 -23.862 45.433 1.00 2.22 C ATOM 1194 C ALA A 92 23.784 -24.676 45.505 1.00 11.44 C ATOM 1195 O ALA A 92 23.877 -25.763 44.934 1.00 23.22 O ATOM 1196 CB ALA A 92 22.453 -23.051 44.145 1.00 71.12 C ATOM 0 H ALA A 92 22.987 -22.174 46.574 1.00 25.34 H new ATOM 0 HA ALA A 92 21.657 -24.558 45.440 1.00 2.22 H new ATOM 0 HB1 ALA A 92 22.551 -23.720 43.290 1.00 71.12 H new ATOM 0 HB2 ALA A 92 21.504 -22.519 44.082 1.00 71.12 H new ATOM 0 HB3 ALA A 92 23.273 -22.333 44.140 1.00 71.12 H new ATOM 1202 N VAL A 93 24.777 -24.141 46.209 1.00 75.13 N ATOM 1203 CA VAL A 93 26.060 -24.818 46.356 1.00 43.44 C ATOM 1204 C VAL A 93 26.222 -25.392 47.759 1.00 32.45 C ATOM 1205 O VAL A 93 26.750 -26.490 47.934 1.00 20.42 O ATOM 1206 CB VAL A 93 27.234 -23.865 46.065 1.00 23.13 C ATOM 1207 CG1 VAL A 93 27.641 -23.118 47.326 1.00 71.24 C ATOM 1208 CG2 VAL A 93 28.413 -24.634 45.487 1.00 4.30 C ATOM 0 H VAL A 93 24.717 -23.241 46.686 1.00 75.13 H new ATOM 0 HA VAL A 93 26.073 -25.631 45.630 1.00 43.44 H new ATOM 0 HB VAL A 93 26.910 -23.132 45.326 1.00 23.13 H new ATOM 0 HG11 VAL A 93 28.472 -22.449 47.101 1.00 71.24 H new ATOM 0 HG12 VAL A 93 26.796 -22.536 47.693 1.00 71.24 H new ATOM 0 HG13 VAL A 93 27.947 -23.833 48.090 1.00 71.24 H new ATOM 0 HG21 VAL A 93 29.234 -23.945 45.287 1.00 4.30 H new ATOM 0 HG22 VAL A 93 28.739 -25.390 46.201 1.00 4.30 H new ATOM 0 HG23 VAL A 93 28.111 -25.118 44.558 1.00 4.30 H new ATOM 1218 N GLU A 94 25.762 -24.641 48.756 1.00 0.00 N ATOM 1219 CA GLU A 94 25.856 -25.076 50.144 1.00 64.32 C ATOM 1220 C GLU A 94 24.631 -25.893 50.543 1.00 72.35 C ATOM 1221 O GLU A 94 24.726 -26.824 51.344 1.00 30.33 O ATOM 1222 CB GLU A 94 26.000 -23.867 51.072 1.00 34.31 C ATOM 1223 CG GLU A 94 27.421 -23.341 51.171 1.00 45.25 C ATOM 1224 CD GLU A 94 27.883 -23.173 52.605 1.00 71.33 C ATOM 1225 OE1 GLU A 94 27.280 -22.354 53.330 1.00 35.33 O ATOM 1226 OE2 GLU A 94 28.848 -23.859 53.003 1.00 31.41 O ATOM 0 H GLU A 94 25.321 -23.730 48.628 1.00 0.00 H new ATOM 0 HA GLU A 94 26.739 -25.707 50.241 1.00 64.32 H new ATOM 0 HB2 GLU A 94 25.350 -23.068 50.717 1.00 34.31 H new ATOM 0 HB3 GLU A 94 25.653 -24.141 52.068 1.00 34.31 H new ATOM 0 HG2 GLU A 94 28.094 -24.025 50.654 1.00 45.25 H new ATOM 0 HG3 GLU A 94 27.486 -22.382 50.658 1.00 45.25 H new ATOM 1231 N TYR A 95 23.482 -25.540 49.978 1.00 62.33 N ATOM 1232 CA TYR A 95 22.237 -26.238 50.275 1.00 65.23 C ATOM 1233 C TYR A 95 22.003 -27.378 49.288 1.00 70.22 C ATOM 1234 O TYR A 95 21.556 -28.461 49.667 1.00 41.23 O ATOM 1235 CB TYR A 95 21.059 -25.264 50.236 1.00 24.13 C ATOM 1236 CG TYR A 95 19.709 -25.946 50.226 1.00 45.31 C ATOM 1237 CD1 TYR A 95 19.115 -26.331 49.031 1.00 33.15 C ATOM 1238 CD2 TYR A 95 19.030 -26.202 51.410 1.00 14.54 C ATOM 1239 CE1 TYR A 95 17.881 -26.954 49.017 1.00 14.03 C ATOM 1240 CE2 TYR A 95 17.797 -26.825 51.404 1.00 64.13 C ATOM 1241 CZ TYR A 95 17.226 -27.198 50.206 1.00 73.04 C ATOM 1242 OH TYR A 95 15.998 -27.819 50.196 1.00 32.04 O ATOM 0 H TYR A 95 23.387 -24.774 49.311 1.00 62.33 H new ATOM 0 HA TYR A 95 22.317 -26.660 51.277 1.00 65.23 H new ATOM 0 HB2 TYR A 95 21.116 -24.603 51.101 1.00 24.13 H new ATOM 0 HB3 TYR A 95 21.146 -24.637 49.349 1.00 24.13 H new ATOM 0 HD1 TYR A 95 19.625 -26.141 48.098 1.00 33.15 H new ATOM 0 HD2 TYR A 95 19.473 -25.909 52.351 1.00 14.54 H new ATOM 0 HE1 TYR A 95 17.432 -27.248 48.080 1.00 14.03 H new ATOM 0 HE2 TYR A 95 17.283 -27.019 52.334 1.00 64.13 H new ATOM 0 HH TYR A 95 15.674 -27.917 51.116 1.00 32.04 H new ATOM 1251 N VAL A 96 22.307 -27.125 48.020 1.00 50.13 N ATOM 1252 CA VAL A 96 22.131 -28.129 46.977 1.00 45.50 C ATOM 1253 C VAL A 96 23.390 -28.972 46.809 1.00 15.32 C ATOM 1254 O VAL A 96 23.359 -30.192 46.973 1.00 22.30 O ATOM 1255 CB VAL A 96 21.778 -27.478 45.625 1.00 63.32 C ATOM 1256 CG1 VAL A 96 22.437 -28.233 44.482 1.00 13.51 C ATOM 1257 CG2 VAL A 96 20.270 -27.422 45.440 1.00 31.34 C ATOM 0 H VAL A 96 22.676 -26.234 47.689 1.00 50.13 H new ATOM 0 HA VAL A 96 21.307 -28.770 47.290 1.00 45.50 H new ATOM 0 HB VAL A 96 22.159 -26.457 45.621 1.00 63.32 H new ATOM 0 HG11 VAL A 96 22.177 -27.759 43.535 1.00 13.51 H new ATOM 0 HG12 VAL A 96 23.519 -28.216 44.611 1.00 13.51 H new ATOM 0 HG13 VAL A 96 22.088 -29.266 44.479 1.00 13.51 H new ATOM 0 HG21 VAL A 96 20.038 -26.960 44.481 1.00 31.34 H new ATOM 0 HG22 VAL A 96 19.863 -28.433 45.464 1.00 31.34 H new ATOM 0 HG23 VAL A 96 19.827 -26.833 46.243 1.00 31.34 H new ATOM 1267 N SER A 97 24.497 -28.315 46.480 1.00 55.10 N ATOM 1268 CA SER A 97 25.767 -29.005 46.287 1.00 52.35 C ATOM 1269 C SER A 97 26.364 -29.429 47.624 1.00 41.24 C ATOM 1270 O SER A 97 27.255 -30.277 47.679 1.00 5.23 O ATOM 1271 CB SER A 97 26.752 -28.105 45.538 1.00 44.01 C ATOM 1272 OG SER A 97 27.556 -28.859 44.647 1.00 22.41 O ATOM 0 H SER A 97 24.540 -27.305 46.341 1.00 55.10 H new ATOM 0 HA SER A 97 25.579 -29.900 45.693 1.00 52.35 H new ATOM 0 HB2 SER A 97 26.204 -27.344 44.983 1.00 44.01 H new ATOM 0 HB3 SER A 97 27.388 -27.582 46.253 1.00 44.01 H new ATOM 0 HG SER A 97 28.176 -28.261 44.180 1.00 22.41 H new ATOM 1277 N GLY A 98 25.866 -28.833 48.703 1.00 45.33 N ATOM 1278 CA GLY A 98 26.363 -29.161 50.028 1.00 35.24 C ATOM 1279 C GLY A 98 25.616 -30.322 50.655 1.00 21.34 C ATOM 1280 O GLY A 98 26.112 -30.958 51.584 1.00 23.40 O ATOM 0 H GLY A 98 25.128 -28.129 48.684 1.00 45.33 H new ATOM 0 HA2 GLY A 98 27.423 -29.406 49.965 1.00 35.24 H new ATOM 0 HA3 GLY A 98 26.276 -28.286 50.672 1.00 35.24 H new ATOM 1283 N ARG A 99 24.419 -30.598 50.146 1.00 44.11 N ATOM 1284 CA ARG A 99 23.602 -31.688 50.665 1.00 64.12 C ATOM 1285 C ARG A 99 23.933 -32.999 49.958 1.00 70.10 C ATOM 1286 O ARG A 99 24.206 -34.012 50.603 1.00 74.24 O ATOM 1287 CB ARG A 99 22.116 -31.365 50.495 1.00 40.12 C ATOM 1288 CG ARG A 99 21.489 -30.720 51.719 1.00 63.31 C ATOM 1289 CD ARG A 99 20.513 -31.662 52.408 1.00 43.12 C ATOM 1290 NE ARG A 99 20.344 -31.338 53.821 1.00 62.13 N ATOM 1291 CZ ARG A 99 21.296 -31.506 54.733 1.00 61.11 C ATOM 1292 NH1 ARG A 99 22.479 -31.992 54.381 1.00 13.12 N ATOM 1293 NH2 ARG A 99 21.066 -31.187 56.000 1.00 3.14 N ATOM 0 H ARG A 99 23.994 -30.082 49.375 1.00 44.11 H new ATOM 0 HA ARG A 99 23.823 -31.802 51.726 1.00 64.12 H new ATOM 0 HB2 ARG A 99 21.993 -30.699 49.641 1.00 40.12 H new ATOM 0 HB3 ARG A 99 21.577 -32.284 50.263 1.00 40.12 H new ATOM 0 HG2 ARG A 99 22.272 -30.430 52.420 1.00 63.31 H new ATOM 0 HG3 ARG A 99 20.970 -29.808 51.425 1.00 63.31 H new ATOM 0 HD2 ARG A 99 19.546 -31.612 51.907 1.00 43.12 H new ATOM 0 HD3 ARG A 99 20.870 -32.687 52.312 1.00 43.12 H new ATOM 0 HE ARG A 99 19.446 -30.962 54.125 1.00 62.13 H new ATOM 0 HH11 ARG A 99 22.660 -32.238 53.408 1.00 13.12 H new ATOM 0 HH12 ARG A 99 23.207 -32.120 55.083 1.00 13.12 H new ATOM 0 HH21 ARG A 99 20.158 -30.812 56.275 1.00 3.14 H new ATOM 0 HH22 ARG A 99 21.797 -31.316 56.699 1.00 3.14 H new ATOM 1304 N VAL A 100 23.906 -32.973 48.630 1.00 15.41 N ATOM 1305 CA VAL A 100 24.204 -34.159 47.835 1.00 31.44 C ATOM 1306 C VAL A 100 25.630 -34.639 48.077 1.00 72.40 C ATOM 1307 O VAL A 100 25.905 -35.839 48.058 1.00 61.51 O ATOM 1308 CB VAL A 100 24.013 -33.889 46.331 1.00 51.35 C ATOM 1309 CG1 VAL A 100 25.122 -32.990 45.805 1.00 14.51 C ATOM 1310 CG2 VAL A 100 23.965 -35.198 45.557 1.00 31.25 C ATOM 0 H VAL A 100 23.681 -32.143 48.081 1.00 15.41 H new ATOM 0 HA VAL A 100 23.505 -34.934 48.149 1.00 31.44 H new ATOM 0 HB VAL A 100 23.063 -33.374 46.190 1.00 51.35 H new ATOM 0 HG11 VAL A 100 24.971 -32.810 44.741 1.00 14.51 H new ATOM 0 HG12 VAL A 100 25.105 -32.040 46.340 1.00 14.51 H new ATOM 0 HG13 VAL A 100 26.086 -33.475 45.957 1.00 14.51 H new ATOM 0 HG21 VAL A 100 23.830 -34.989 44.496 1.00 31.25 H new ATOM 0 HG22 VAL A 100 24.898 -35.742 45.703 1.00 31.25 H new ATOM 0 HG23 VAL A 100 23.133 -35.803 45.917 1.00 31.25 H new ATOM 1320 N HIS A 101 26.536 -33.693 48.306 1.00 44.05 N ATOM 1321 CA HIS A 101 27.936 -34.019 48.555 1.00 55.04 C ATOM 1322 C HIS A 101 28.226 -34.065 50.051 1.00 64.22 C ATOM 1323 O HIS A 101 29.338 -33.768 50.487 1.00 24.23 O ATOM 1324 CB HIS A 101 28.848 -32.997 47.877 1.00 10.24 C ATOM 1325 CG HIS A 101 30.245 -33.492 47.657 1.00 35.14 C ATOM 1326 ND1 HIS A 101 31.343 -32.659 47.636 1.00 52.22 N ATOM 1327 CD2 HIS A 101 30.718 -34.743 47.449 1.00 63.53 C ATOM 1328 CE1 HIS A 101 32.432 -33.377 47.423 1.00 12.23 C ATOM 1329 NE2 HIS A 101 32.080 -34.644 47.307 1.00 73.44 N ATOM 0 H HIS A 101 26.326 -32.695 48.324 1.00 44.05 H new ATOM 0 HA HIS A 101 28.134 -35.005 48.135 1.00 55.04 H new ATOM 0 HB2 HIS A 101 28.415 -32.717 46.917 1.00 10.24 H new ATOM 0 HB3 HIS A 101 28.883 -32.094 48.486 1.00 10.24 H new ATOM 0 HD2 HIS A 101 30.133 -35.650 47.403 1.00 63.53 H new ATOM 0 HE1 HIS A 101 33.439 -32.992 47.355 1.00 12.23 H new ATOM 0 HE2 HIS A 101 32.717 -35.423 47.139 1.00 73.44 H new