USER MOD reduce.3.24.130724 H: found=0, std=0, add=667, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 665 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 44 LYS NZ :NH3+ -114:sc= 1.61 (180deg=-0.726) USER MOD Set 1.2: A 45 TYR OH : rot 30:sc= 0.0129 USER MOD Single : A 18 SER OG : rot 180:sc= -0.012 USER MOD Single : A 20 TYR OH : rot 180:sc= 0.0349 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -164:sc= -0.0473 (180deg=-0.382) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.00554 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.659) USER MOD Single : A 37 SER OG : rot 88:sc= 0.0638 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -2.87! C(o=-2.9!,f=-7.6!) USER MOD Single : A 49 LYS NZ :NH3+ -153:sc= 0.913 (180deg=0.45) USER MOD Single : A 50 ASN : amide:sc= 1.71 K(o=1.7,f=-0.048) USER MOD Single : A 53 ASN : amide:sc= -18.7! C(o=-19!,f=-32!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ -130:sc= -0.357 (180deg=-1.7) USER MOD Single : A 64 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -2.41! C(o=-2.4!,f=-3.8!) USER MOD Single : A 71 THR OG1 : rot -93:sc= 1.2 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -138:sc= -4.25! (180deg=-7.47!) USER MOD Single : A 77 ASN : amide:sc= -1.01 K(o=-1,f=-5.1!) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.4 X(o=-1.4,f=-1.5) USER MOD Single : A 97 ASN : amide:sc= -0.687 X(o=-0.69,f=-0.69) USER MOD Single : A 99 ASN : amide:sc= -0.0549 K(o=-0.055,f=-1.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 219 N SER A 18 1.642 -8.516 -4.733 1.00 0.00 N ATOM 220 CA SER A 18 0.934 -8.186 -3.502 1.00 0.00 C ATOM 221 C SER A 18 1.224 -6.750 -3.077 1.00 0.00 C ATOM 222 O SER A 18 1.913 -6.009 -3.779 1.00 0.00 O ATOM 223 CB SER A 18 1.333 -9.152 -2.384 1.00 0.00 C ATOM 224 OG SER A 18 0.286 -9.301 -1.441 1.00 0.00 O ATOM 0 HA SER A 18 -0.135 -8.282 -3.690 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.583 -10.123 -2.811 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.228 -8.784 -1.883 1.00 0.00 H new ATOM 0 HG SER A 18 0.565 -9.924 -0.738 1.00 0.00 H new ATOM 230 N LEU A 19 0.694 -6.363 -1.921 1.00 0.00 N ATOM 231 CA LEU A 19 0.895 -5.016 -1.400 1.00 0.00 C ATOM 232 C LEU A 19 2.345 -4.575 -1.576 1.00 0.00 C ATOM 233 O LEU A 19 2.622 -3.399 -1.816 1.00 0.00 O ATOM 234 CB LEU A 19 0.507 -4.956 0.078 1.00 0.00 C ATOM 235 CG LEU A 19 -0.991 -5.002 0.381 1.00 0.00 C ATOM 236 CD1 LEU A 19 -1.228 -5.295 1.855 1.00 0.00 C ATOM 237 CD2 LEU A 19 -1.656 -3.693 -0.018 1.00 0.00 C ATOM 0 H LEU A 19 0.122 -6.964 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 19 0.257 -4.336 -1.964 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.987 -5.788 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.915 -4.039 0.503 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.437 -5.806 -0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -2.300 -5.324 2.052 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.786 -6.258 2.110 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.769 -4.513 2.460 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.722 -3.744 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.207 -2.872 0.541 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.516 -3.525 -1.086 1.00 0.00 H new ATOM 249 N TYR A 20 3.265 -5.525 -1.456 1.00 0.00 N ATOM 250 CA TYR A 20 4.687 -5.235 -1.601 1.00 0.00 C ATOM 251 C TYR A 20 4.923 -4.206 -2.702 1.00 0.00 C ATOM 252 O TYR A 20 5.715 -3.277 -2.541 1.00 0.00 O ATOM 253 CB TYR A 20 5.461 -6.517 -1.912 1.00 0.00 C ATOM 254 CG TYR A 20 5.053 -7.694 -1.054 1.00 0.00 C ATOM 255 CD1 TYR A 20 5.150 -7.637 0.330 1.00 0.00 C ATOM 256 CD2 TYR A 20 4.568 -8.862 -1.630 1.00 0.00 C ATOM 257 CE1 TYR A 20 4.778 -8.710 1.117 1.00 0.00 C ATOM 258 CE2 TYR A 20 4.193 -9.940 -0.851 1.00 0.00 C ATOM 259 CZ TYR A 20 4.300 -9.859 0.522 1.00 0.00 C ATOM 260 OH TYR A 20 3.928 -10.930 1.302 1.00 0.00 O ATOM 0 H TYR A 20 3.052 -6.503 -1.259 1.00 0.00 H new ATOM 0 HA TYR A 20 5.046 -4.821 -0.658 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.314 -6.775 -2.961 1.00 0.00 H new ATOM 0 HB3 TYR A 20 6.526 -6.331 -1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.523 -6.739 0.799 1.00 0.00 H new ATOM 0 HD2 TYR A 20 4.483 -8.928 -2.705 1.00 0.00 H new ATOM 0 HE1 TYR A 20 4.861 -8.649 2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 20 3.818 -10.841 -1.314 1.00 0.00 H new ATOM 0 HH TYR A 20 3.613 -11.659 0.728 1.00 0.00 H new ATOM 270 N HIS A 21 4.230 -4.378 -3.823 1.00 0.00 N ATOM 271 CA HIS A 21 4.362 -3.464 -4.952 1.00 0.00 C ATOM 272 C HIS A 21 3.919 -2.056 -4.566 1.00 0.00 C ATOM 273 O HIS A 21 4.602 -1.076 -4.864 1.00 0.00 O ATOM 274 CB HIS A 21 3.537 -3.963 -6.139 1.00 0.00 C ATOM 275 CG HIS A 21 4.099 -3.565 -7.469 1.00 0.00 C ATOM 276 ND1 HIS A 21 3.555 -2.566 -8.248 1.00 0.00 N ATOM 277 CD2 HIS A 21 5.166 -4.036 -8.156 1.00 0.00 C ATOM 278 CE1 HIS A 21 4.261 -2.441 -9.357 1.00 0.00 C ATOM 279 NE2 HIS A 21 5.245 -3.322 -9.326 1.00 0.00 N ATOM 0 H HIS A 21 3.571 -5.142 -3.974 1.00 0.00 H new ATOM 0 HA HIS A 21 5.413 -3.430 -5.238 1.00 0.00 H new ATOM 0 HB2 HIS A 21 3.470 -5.050 -6.093 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.521 -3.577 -6.053 1.00 0.00 H new ATOM 0 HD2 HIS A 21 5.832 -4.827 -7.842 1.00 0.00 H new ATOM 0 HE1 HIS A 21 4.067 -1.738 -10.154 1.00 0.00 H new ATOM 0 HE2 HIS A 21 5.949 -3.451 -10.053 1.00 0.00 H new ATOM 287 N VAL A 22 2.771 -1.963 -3.902 1.00 0.00 N ATOM 288 CA VAL A 22 2.237 -0.675 -3.475 1.00 0.00 C ATOM 289 C VAL A 22 3.338 0.217 -2.914 1.00 0.00 C ATOM 290 O VAL A 22 3.223 1.444 -2.922 1.00 0.00 O ATOM 291 CB VAL A 22 1.139 -0.849 -2.409 1.00 0.00 C ATOM 292 CG1 VAL A 22 0.790 0.491 -1.779 1.00 0.00 C ATOM 293 CG2 VAL A 22 -0.095 -1.498 -3.018 1.00 0.00 C ATOM 0 H VAL A 22 2.193 -2.764 -3.648 1.00 0.00 H new ATOM 0 HA VAL A 22 1.805 -0.203 -4.357 1.00 0.00 H new ATOM 0 HB VAL A 22 1.518 -1.505 -1.625 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.013 0.349 -1.028 1.00 0.00 H new ATOM 0 HG12 VAL A 22 1.677 0.913 -1.307 1.00 0.00 H new ATOM 0 HG13 VAL A 22 0.430 1.173 -2.550 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.861 -1.614 -2.251 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -0.478 -0.869 -3.822 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.169 -2.477 -3.418 1.00 0.00 H new ATOM 303 N LEU A 23 4.406 -0.405 -2.426 1.00 0.00 N ATOM 304 CA LEU A 23 5.530 0.333 -1.861 1.00 0.00 C ATOM 305 C LEU A 23 6.745 0.261 -2.779 1.00 0.00 C ATOM 306 O LEU A 23 7.323 1.285 -3.142 1.00 0.00 O ATOM 307 CB LEU A 23 5.886 -0.221 -0.480 1.00 0.00 C ATOM 308 CG LEU A 23 4.714 -0.440 0.478 1.00 0.00 C ATOM 309 CD1 LEU A 23 5.132 -1.330 1.638 1.00 0.00 C ATOM 310 CD2 LEU A 23 4.187 0.893 0.989 1.00 0.00 C ATOM 0 H LEU A 23 4.517 -1.419 -2.410 1.00 0.00 H new ATOM 0 HA LEU A 23 5.234 1.377 -1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 23 6.402 -1.172 -0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 23 6.593 0.462 -0.008 1.00 0.00 H new ATOM 0 HG LEU A 23 3.913 -0.940 -0.066 1.00 0.00 H new ATOM 0 HD11 LEU A 23 4.285 -1.475 2.309 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.461 -2.296 1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.950 -0.858 2.182 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.353 0.718 1.669 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.982 1.420 1.517 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.848 1.497 0.147 1.00 0.00 H new ATOM 322 N GLY A 24 7.127 -0.956 -3.153 1.00 0.00 N ATOM 323 CA GLY A 24 8.271 -1.139 -4.028 1.00 0.00 C ATOM 324 C GLY A 24 9.174 -2.267 -3.573 1.00 0.00 C ATOM 325 O GLY A 24 10.392 -2.207 -3.749 1.00 0.00 O ATOM 0 H GLY A 24 6.665 -1.819 -2.866 1.00 0.00 H new ATOM 0 HA2 GLY A 24 7.921 -1.343 -5.040 1.00 0.00 H new ATOM 0 HA3 GLY A 24 8.844 -0.213 -4.070 1.00 0.00 H new ATOM 329 N LEU A 25 8.579 -3.299 -2.986 1.00 0.00 N ATOM 330 CA LEU A 25 9.339 -4.447 -2.502 1.00 0.00 C ATOM 331 C LEU A 25 8.930 -5.720 -3.237 1.00 0.00 C ATOM 332 O LEU A 25 8.015 -5.706 -4.061 1.00 0.00 O ATOM 333 CB LEU A 25 9.129 -4.625 -0.997 1.00 0.00 C ATOM 334 CG LEU A 25 9.517 -3.433 -0.120 1.00 0.00 C ATOM 335 CD1 LEU A 25 9.198 -3.718 1.339 1.00 0.00 C ATOM 336 CD2 LEU A 25 10.993 -3.104 -0.291 1.00 0.00 C ATOM 0 H LEU A 25 7.573 -3.365 -2.833 1.00 0.00 H new ATOM 0 HA LEU A 25 10.395 -4.260 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.078 -4.853 -0.821 1.00 0.00 H new ATOM 0 HB3 LEU A 25 9.702 -5.493 -0.670 1.00 0.00 H new ATOM 0 HG LEU A 25 8.933 -2.568 -0.436 1.00 0.00 H new ATOM 0 HD11 LEU A 25 9.481 -2.859 1.948 1.00 0.00 H new ATOM 0 HD12 LEU A 25 8.130 -3.904 1.448 1.00 0.00 H new ATOM 0 HD13 LEU A 25 9.755 -4.595 1.669 1.00 0.00 H new ATOM 0 HD21 LEU A 25 11.252 -2.254 0.340 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.594 -3.966 -0.002 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.192 -2.856 -1.334 1.00 0.00 H new ATOM 348 N ASP A 26 9.613 -6.818 -2.933 1.00 0.00 N ATOM 349 CA ASP A 26 9.319 -8.100 -3.563 1.00 0.00 C ATOM 350 C ASP A 26 8.533 -9.002 -2.617 1.00 0.00 C ATOM 351 O ASP A 26 8.472 -8.754 -1.412 1.00 0.00 O ATOM 352 CB ASP A 26 10.615 -8.792 -3.988 1.00 0.00 C ATOM 353 CG ASP A 26 11.422 -7.961 -4.965 1.00 0.00 C ATOM 354 OD1 ASP A 26 11.089 -7.970 -6.169 1.00 0.00 O ATOM 355 OD2 ASP A 26 12.386 -7.299 -4.527 1.00 0.00 O ATOM 0 H ASP A 26 10.374 -6.846 -2.254 1.00 0.00 H new ATOM 0 HA ASP A 26 8.710 -7.912 -4.447 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.220 -8.998 -3.105 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.378 -9.754 -4.443 1.00 0.00 H new ATOM 360 N LYS A 27 7.930 -10.049 -3.170 1.00 0.00 N ATOM 361 CA LYS A 27 7.147 -10.989 -2.377 1.00 0.00 C ATOM 362 C LYS A 27 7.981 -11.569 -1.240 1.00 0.00 C ATOM 363 O LYS A 27 7.469 -11.826 -0.151 1.00 0.00 O ATOM 364 CB LYS A 27 6.619 -12.119 -3.264 1.00 0.00 C ATOM 365 CG LYS A 27 5.457 -11.704 -4.151 1.00 0.00 C ATOM 366 CD LYS A 27 4.483 -12.850 -4.366 1.00 0.00 C ATOM 367 CE LYS A 27 3.376 -12.843 -3.323 1.00 0.00 C ATOM 368 NZ LYS A 27 3.784 -13.547 -2.075 1.00 0.00 N ATOM 0 H LYS A 27 7.969 -10.268 -4.165 1.00 0.00 H new ATOM 0 HA LYS A 27 6.304 -10.448 -1.946 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.431 -12.487 -3.892 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.304 -12.949 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 27 4.935 -10.862 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.837 -11.363 -5.114 1.00 0.00 H new ATOM 0 HD2 LYS A 27 4.046 -12.776 -5.362 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.019 -13.798 -4.323 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.106 -11.814 -3.087 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.486 -13.320 -3.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.941 -13.760 -1.505 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.269 -14.434 -2.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.427 -12.940 -1.528 1.00 0.00 H new ATOM 382 N ASN A 28 9.269 -11.770 -1.500 1.00 0.00 N ATOM 383 CA ASN A 28 10.175 -12.318 -0.496 1.00 0.00 C ATOM 384 C ASN A 28 10.791 -11.206 0.346 1.00 0.00 C ATOM 385 O ASN A 28 11.830 -11.395 0.978 1.00 0.00 O ATOM 386 CB ASN A 28 11.279 -13.136 -1.169 1.00 0.00 C ATOM 387 CG ASN A 28 10.729 -14.284 -1.993 1.00 0.00 C ATOM 388 OD1 ASN A 28 10.908 -14.331 -3.210 1.00 0.00 O ATOM 389 ND2 ASN A 28 10.055 -15.217 -1.331 1.00 0.00 N ATOM 0 H ASN A 28 9.709 -11.562 -2.396 1.00 0.00 H new ATOM 0 HA ASN A 28 9.599 -12.969 0.161 1.00 0.00 H new ATOM 0 HB2 ASN A 28 11.871 -12.483 -1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 28 11.952 -13.529 -0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 28 9.661 -16.014 -1.832 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.931 -15.137 -0.322 1.00 0.00 H new ATOM 396 N ALA A 29 10.142 -10.046 0.351 1.00 0.00 N ATOM 397 CA ALA A 29 10.624 -8.904 1.118 1.00 0.00 C ATOM 398 C ALA A 29 10.475 -9.146 2.616 1.00 0.00 C ATOM 399 O ALA A 29 9.480 -9.715 3.068 1.00 0.00 O ATOM 400 CB ALA A 29 9.880 -7.641 0.709 1.00 0.00 C ATOM 0 H ALA A 29 9.281 -9.873 -0.168 1.00 0.00 H new ATOM 0 HA ALA A 29 11.684 -8.774 0.901 1.00 0.00 H new ATOM 0 HB1 ALA A 29 10.250 -6.796 1.290 1.00 0.00 H new ATOM 0 HB2 ALA A 29 10.042 -7.451 -0.352 1.00 0.00 H new ATOM 0 HB3 ALA A 29 8.814 -7.770 0.896 1.00 0.00 H new ATOM 406 N THR A 30 11.469 -8.711 3.384 1.00 0.00 N ATOM 407 CA THR A 30 11.449 -8.882 4.831 1.00 0.00 C ATOM 408 C THR A 30 10.674 -7.757 5.507 1.00 0.00 C ATOM 409 O THR A 30 10.733 -6.605 5.078 1.00 0.00 O ATOM 410 CB THR A 30 12.875 -8.928 5.411 1.00 0.00 C ATOM 411 OG1 THR A 30 13.569 -7.714 5.104 1.00 0.00 O ATOM 412 CG2 THR A 30 13.648 -10.114 4.853 1.00 0.00 C ATOM 0 H THR A 30 12.299 -8.237 3.027 1.00 0.00 H new ATOM 0 HA THR A 30 10.953 -9.832 5.030 1.00 0.00 H new ATOM 0 HB THR A 30 12.800 -9.039 6.493 1.00 0.00 H new ATOM 0 HG1 THR A 30 14.474 -7.751 5.478 1.00 0.00 H new ATOM 0 HG21 THR A 30 14.652 -10.126 5.277 1.00 0.00 H new ATOM 0 HG22 THR A 30 13.133 -11.039 5.113 1.00 0.00 H new ATOM 0 HG23 THR A 30 13.713 -10.028 3.768 1.00 0.00 H new ATOM 420 N SER A 31 9.948 -8.099 6.567 1.00 0.00 N ATOM 421 CA SER A 31 9.158 -7.117 7.301 1.00 0.00 C ATOM 422 C SER A 31 9.957 -5.837 7.528 1.00 0.00 C ATOM 423 O SER A 31 9.400 -4.739 7.545 1.00 0.00 O ATOM 424 CB SER A 31 8.706 -7.695 8.643 1.00 0.00 C ATOM 425 OG SER A 31 7.657 -8.632 8.468 1.00 0.00 O ATOM 0 H SER A 31 9.891 -9.048 6.936 1.00 0.00 H new ATOM 0 HA SER A 31 8.279 -6.875 6.704 1.00 0.00 H new ATOM 0 HB2 SER A 31 9.549 -8.177 9.137 1.00 0.00 H new ATOM 0 HB3 SER A 31 8.372 -6.889 9.296 1.00 0.00 H new ATOM 0 HG SER A 31 7.387 -8.988 9.340 1.00 0.00 H new ATOM 431 N ASP A 32 11.265 -5.988 7.703 1.00 0.00 N ATOM 432 CA ASP A 32 12.143 -4.845 7.929 1.00 0.00 C ATOM 433 C ASP A 32 12.251 -3.986 6.673 1.00 0.00 C ATOM 434 O ASP A 32 12.183 -2.759 6.740 1.00 0.00 O ATOM 435 CB ASP A 32 13.532 -5.319 8.359 1.00 0.00 C ATOM 436 CG ASP A 32 14.452 -4.168 8.715 1.00 0.00 C ATOM 437 OD1 ASP A 32 14.738 -3.340 7.826 1.00 0.00 O ATOM 438 OD2 ASP A 32 14.886 -4.095 9.884 1.00 0.00 O ATOM 0 H ASP A 32 11.741 -6.890 7.693 1.00 0.00 H new ATOM 0 HA ASP A 32 11.712 -4.239 8.726 1.00 0.00 H new ATOM 0 HB2 ASP A 32 13.436 -5.983 9.218 1.00 0.00 H new ATOM 0 HB3 ASP A 32 13.979 -5.902 7.554 1.00 0.00 H new ATOM 443 N ASP A 33 12.421 -4.640 5.528 1.00 0.00 N ATOM 444 CA ASP A 33 12.538 -3.936 4.256 1.00 0.00 C ATOM 445 C ASP A 33 11.298 -3.091 3.986 1.00 0.00 C ATOM 446 O ASP A 33 11.354 -2.106 3.250 1.00 0.00 O ATOM 447 CB ASP A 33 12.750 -4.933 3.116 1.00 0.00 C ATOM 448 CG ASP A 33 14.211 -5.286 2.919 1.00 0.00 C ATOM 449 OD1 ASP A 33 14.924 -5.450 3.932 1.00 0.00 O ATOM 450 OD2 ASP A 33 14.642 -5.399 1.753 1.00 0.00 O ATOM 0 H ASP A 33 12.481 -5.656 5.455 1.00 0.00 H new ATOM 0 HA ASP A 33 13.401 -3.273 4.314 1.00 0.00 H new ATOM 0 HB2 ASP A 33 12.184 -5.842 3.322 1.00 0.00 H new ATOM 0 HB3 ASP A 33 12.353 -4.513 2.192 1.00 0.00 H new ATOM 455 N ILE A 34 10.179 -3.483 4.586 1.00 0.00 N ATOM 456 CA ILE A 34 8.925 -2.761 4.410 1.00 0.00 C ATOM 457 C ILE A 34 8.870 -1.528 5.305 1.00 0.00 C ATOM 458 O ILE A 34 8.369 -0.477 4.903 1.00 0.00 O ATOM 459 CB ILE A 34 7.711 -3.658 4.716 1.00 0.00 C ATOM 460 CG1 ILE A 34 7.718 -4.890 3.809 1.00 0.00 C ATOM 461 CG2 ILE A 34 6.417 -2.875 4.545 1.00 0.00 C ATOM 462 CD1 ILE A 34 6.767 -5.977 4.259 1.00 0.00 C ATOM 0 H ILE A 34 10.115 -4.296 5.198 1.00 0.00 H new ATOM 0 HA ILE A 34 8.884 -2.451 3.366 1.00 0.00 H new ATOM 0 HB ILE A 34 7.777 -3.992 5.751 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.456 -4.586 2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.729 -5.296 3.769 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.568 -3.523 4.765 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.412 -2.026 5.229 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.343 -2.515 3.519 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.825 -6.819 3.570 1.00 0.00 H new ATOM 0 HD12 ILE A 34 7.041 -6.308 5.261 1.00 0.00 H new ATOM 0 HD13 ILE A 34 5.749 -5.588 4.271 1.00 0.00 H new ATOM 474 N LYS A 35 9.391 -1.661 6.520 1.00 0.00 N ATOM 475 CA LYS A 35 9.405 -0.558 7.472 1.00 0.00 C ATOM 476 C LYS A 35 10.307 0.571 6.984 1.00 0.00 C ATOM 477 O LYS A 35 9.918 1.739 6.993 1.00 0.00 O ATOM 478 CB LYS A 35 9.879 -1.046 8.843 1.00 0.00 C ATOM 479 CG LYS A 35 8.796 -1.746 9.647 1.00 0.00 C ATOM 480 CD LYS A 35 9.387 -2.574 10.775 1.00 0.00 C ATOM 481 CE LYS A 35 8.469 -3.723 11.163 1.00 0.00 C ATOM 482 NZ LYS A 35 8.988 -4.476 12.338 1.00 0.00 N ATOM 0 H LYS A 35 9.810 -2.523 6.869 1.00 0.00 H new ATOM 0 HA LYS A 35 8.388 -0.175 7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 35 10.717 -1.729 8.706 1.00 0.00 H new ATOM 0 HB3 LYS A 35 10.251 -0.195 9.414 1.00 0.00 H new ATOM 0 HG2 LYS A 35 8.111 -1.005 10.059 1.00 0.00 H new ATOM 0 HG3 LYS A 35 8.212 -2.390 8.989 1.00 0.00 H new ATOM 0 HD2 LYS A 35 10.356 -2.968 10.469 1.00 0.00 H new ATOM 0 HD3 LYS A 35 9.561 -1.937 11.642 1.00 0.00 H new ATOM 0 HE2 LYS A 35 7.477 -3.334 11.391 1.00 0.00 H new ATOM 0 HE3 LYS A 35 8.359 -4.401 10.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.334 -5.250 12.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 9.924 -4.869 12.112 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 9.069 -3.835 13.153 1.00 0.00 H new ATOM 496 N LYS A 36 11.514 0.215 6.556 1.00 0.00 N ATOM 497 CA LYS A 36 12.471 1.197 6.060 1.00 0.00 C ATOM 498 C LYS A 36 11.949 1.877 4.799 1.00 0.00 C ATOM 499 O LYS A 36 12.206 3.059 4.567 1.00 0.00 O ATOM 500 CB LYS A 36 13.816 0.528 5.772 1.00 0.00 C ATOM 501 CG LYS A 36 13.767 -0.471 4.629 1.00 0.00 C ATOM 502 CD LYS A 36 15.150 -0.735 4.058 1.00 0.00 C ATOM 503 CE LYS A 36 15.920 -1.737 4.905 1.00 0.00 C ATOM 504 NZ LYS A 36 16.637 -1.077 6.031 1.00 0.00 N ATOM 0 H LYS A 36 11.853 -0.747 6.543 1.00 0.00 H new ATOM 0 HA LYS A 36 12.607 1.956 6.831 1.00 0.00 H new ATOM 0 HB2 LYS A 36 14.552 1.297 5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 36 14.160 0.020 6.673 1.00 0.00 H new ATOM 0 HG2 LYS A 36 13.333 -1.407 4.981 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.114 -0.093 3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.058 -1.112 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.707 0.200 4.003 1.00 0.00 H new ATOM 0 HE2 LYS A 36 15.231 -2.483 5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 36 16.638 -2.267 4.278 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 17.497 -1.616 6.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 16.899 -0.109 5.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 16.017 -1.044 6.866 1.00 0.00 H new ATOM 518 N SER A 37 11.214 1.124 3.987 1.00 0.00 N ATOM 519 CA SER A 37 10.658 1.654 2.747 1.00 0.00 C ATOM 520 C SER A 37 9.608 2.723 3.036 1.00 0.00 C ATOM 521 O SER A 37 9.734 3.867 2.600 1.00 0.00 O ATOM 522 CB SER A 37 10.040 0.527 1.918 1.00 0.00 C ATOM 523 OG SER A 37 11.041 -0.231 1.261 1.00 0.00 O ATOM 0 H SER A 37 10.990 0.145 4.165 1.00 0.00 H new ATOM 0 HA SER A 37 11.469 2.110 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 37 9.452 -0.124 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 37 9.355 0.947 1.181 1.00 0.00 H new ATOM 0 HG SER A 37 11.353 -0.946 1.855 1.00 0.00 H new ATOM 529 N TYR A 38 8.572 2.341 3.775 1.00 0.00 N ATOM 530 CA TYR A 38 7.498 3.265 4.121 1.00 0.00 C ATOM 531 C TYR A 38 8.053 4.650 4.440 1.00 0.00 C ATOM 532 O TYR A 38 7.423 5.666 4.144 1.00 0.00 O ATOM 533 CB TYR A 38 6.706 2.733 5.316 1.00 0.00 C ATOM 534 CG TYR A 38 6.004 3.814 6.107 1.00 0.00 C ATOM 535 CD1 TYR A 38 4.975 4.558 5.543 1.00 0.00 C ATOM 536 CD2 TYR A 38 6.372 4.093 7.418 1.00 0.00 C ATOM 537 CE1 TYR A 38 4.332 5.548 6.261 1.00 0.00 C ATOM 538 CE2 TYR A 38 5.733 5.079 8.144 1.00 0.00 C ATOM 539 CZ TYR A 38 4.714 5.804 7.561 1.00 0.00 C ATOM 540 OH TYR A 38 4.077 6.789 8.281 1.00 0.00 O ATOM 0 H TYR A 38 8.453 1.398 4.146 1.00 0.00 H new ATOM 0 HA TYR A 38 6.833 3.349 3.261 1.00 0.00 H new ATOM 0 HB2 TYR A 38 5.966 2.016 4.961 1.00 0.00 H new ATOM 0 HB3 TYR A 38 7.382 2.192 5.977 1.00 0.00 H new ATOM 0 HD1 TYR A 38 4.672 4.359 4.526 1.00 0.00 H new ATOM 0 HD2 TYR A 38 7.171 3.529 7.877 1.00 0.00 H new ATOM 0 HE1 TYR A 38 3.535 6.118 5.807 1.00 0.00 H new ATOM 0 HE2 TYR A 38 6.029 5.281 9.163 1.00 0.00 H new ATOM 0 HH TYR A 38 4.465 6.841 9.179 1.00 0.00 H new ATOM 550 N ARG A 39 9.236 4.682 5.044 1.00 0.00 N ATOM 551 CA ARG A 39 9.876 5.941 5.404 1.00 0.00 C ATOM 552 C ARG A 39 10.169 6.777 4.162 1.00 0.00 C ATOM 553 O ARG A 39 9.544 7.813 3.936 1.00 0.00 O ATOM 554 CB ARG A 39 11.173 5.677 6.172 1.00 0.00 C ATOM 555 CG ARG A 39 10.967 4.921 7.474 1.00 0.00 C ATOM 556 CD ARG A 39 12.269 4.779 8.247 1.00 0.00 C ATOM 557 NE ARG A 39 12.046 4.726 9.690 1.00 0.00 N ATOM 558 CZ ARG A 39 12.925 4.227 10.552 1.00 0.00 C ATOM 559 NH1 ARG A 39 14.080 3.741 10.119 1.00 0.00 N ATOM 560 NH2 ARG A 39 12.649 4.214 11.849 1.00 0.00 N ATOM 0 H ARG A 39 9.771 3.850 5.294 1.00 0.00 H new ATOM 0 HA ARG A 39 9.191 6.498 6.042 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.853 5.110 5.536 1.00 0.00 H new ATOM 0 HB3 ARG A 39 11.658 6.629 6.387 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.233 5.444 8.088 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.559 3.933 7.262 1.00 0.00 H new ATOM 0 HD2 ARG A 39 12.784 3.873 7.926 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.924 5.618 8.012 1.00 0.00 H new ATOM 0 HE ARG A 39 11.167 5.092 10.056 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.295 3.750 9.122 1.00 0.00 H new ATOM 0 HH12 ARG A 39 14.753 3.358 10.783 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.761 4.587 12.185 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.324 3.831 12.510 1.00 0.00 H new ATOM 574 N LYS A 40 11.123 6.319 3.359 1.00 0.00 N ATOM 575 CA LYS A 40 11.500 7.023 2.138 1.00 0.00 C ATOM 576 C LYS A 40 10.267 7.374 1.311 1.00 0.00 C ATOM 577 O LYS A 40 10.154 8.483 0.787 1.00 0.00 O ATOM 578 CB LYS A 40 12.458 6.167 1.307 1.00 0.00 C ATOM 579 CG LYS A 40 11.996 4.731 1.132 1.00 0.00 C ATOM 580 CD LYS A 40 12.905 3.964 0.187 1.00 0.00 C ATOM 581 CE LYS A 40 14.046 3.291 0.935 1.00 0.00 C ATOM 582 NZ LYS A 40 15.056 2.715 0.004 1.00 0.00 N ATOM 0 H LYS A 40 11.650 5.463 3.531 1.00 0.00 H new ATOM 0 HA LYS A 40 12.002 7.948 2.421 1.00 0.00 H new ATOM 0 HB2 LYS A 40 12.580 6.623 0.324 1.00 0.00 H new ATOM 0 HB3 LYS A 40 13.439 6.169 1.783 1.00 0.00 H new ATOM 0 HG2 LYS A 40 11.975 4.234 2.102 1.00 0.00 H new ATOM 0 HG3 LYS A 40 10.977 4.720 0.746 1.00 0.00 H new ATOM 0 HD2 LYS A 40 12.325 3.212 -0.347 1.00 0.00 H new ATOM 0 HD3 LYS A 40 13.311 4.644 -0.562 1.00 0.00 H new ATOM 0 HE2 LYS A 40 14.528 4.016 1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 40 13.647 2.501 1.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 15.817 2.266 0.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 14.602 2.005 -0.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 15.456 3.472 -0.586 1.00 0.00 H new ATOM 596 N LEU A 41 9.346 6.424 1.198 1.00 0.00 N ATOM 597 CA LEU A 41 8.120 6.634 0.435 1.00 0.00 C ATOM 598 C LEU A 41 7.213 7.646 1.129 1.00 0.00 C ATOM 599 O LEU A 41 6.403 8.311 0.485 1.00 0.00 O ATOM 600 CB LEU A 41 7.378 5.309 0.250 1.00 0.00 C ATOM 601 CG LEU A 41 8.222 4.127 -0.227 1.00 0.00 C ATOM 602 CD1 LEU A 41 7.479 2.818 -0.010 1.00 0.00 C ATOM 603 CD2 LEU A 41 8.595 4.295 -1.693 1.00 0.00 C ATOM 0 H LEU A 41 9.424 5.501 1.625 1.00 0.00 H new ATOM 0 HA LEU A 41 8.393 7.030 -0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.915 5.039 1.199 1.00 0.00 H new ATOM 0 HB3 LEU A 41 6.570 5.465 -0.465 1.00 0.00 H new ATOM 0 HG LEU A 41 9.140 4.101 0.360 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.095 1.988 -0.356 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.264 2.693 1.051 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.544 2.833 -0.570 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.196 3.444 -2.015 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.688 4.348 -2.295 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.169 5.213 -1.820 1.00 0.00 H new ATOM 615 N ALA A 42 7.358 7.757 2.445 1.00 0.00 N ATOM 616 CA ALA A 42 6.556 8.691 3.226 1.00 0.00 C ATOM 617 C ALA A 42 7.229 10.056 3.310 1.00 0.00 C ATOM 618 O ALA A 42 6.581 11.063 3.599 1.00 0.00 O ATOM 619 CB ALA A 42 6.308 8.135 4.620 1.00 0.00 C ATOM 0 H ALA A 42 8.023 7.212 2.993 1.00 0.00 H new ATOM 0 HA ALA A 42 5.598 8.819 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.708 8.842 5.192 1.00 0.00 H new ATOM 0 HB2 ALA A 42 5.776 7.186 4.544 1.00 0.00 H new ATOM 0 HB3 ALA A 42 7.262 7.977 5.124 1.00 0.00 H new ATOM 625 N LEU A 43 8.533 10.084 3.058 1.00 0.00 N ATOM 626 CA LEU A 43 9.295 11.327 3.106 1.00 0.00 C ATOM 627 C LEU A 43 9.235 12.055 1.766 1.00 0.00 C ATOM 628 O LEU A 43 9.457 13.264 1.694 1.00 0.00 O ATOM 629 CB LEU A 43 10.751 11.041 3.479 1.00 0.00 C ATOM 630 CG LEU A 43 11.001 10.608 4.924 1.00 0.00 C ATOM 631 CD1 LEU A 43 12.419 10.958 5.348 1.00 0.00 C ATOM 632 CD2 LEU A 43 9.988 11.255 5.857 1.00 0.00 C ATOM 0 H LEU A 43 9.085 9.260 2.818 1.00 0.00 H new ATOM 0 HA LEU A 43 8.850 11.968 3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.128 10.262 2.817 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.338 11.938 3.283 1.00 0.00 H new ATOM 0 HG LEU A 43 10.882 9.526 4.985 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.579 10.642 6.379 1.00 0.00 H new ATOM 0 HD12 LEU A 43 13.130 10.447 4.698 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.566 12.035 5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.181 10.936 6.881 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.075 12.340 5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.982 10.954 5.567 1.00 0.00 H new ATOM 644 N LYS A 44 8.932 11.311 0.708 1.00 0.00 N ATOM 645 CA LYS A 44 8.838 11.885 -0.629 1.00 0.00 C ATOM 646 C LYS A 44 7.398 12.263 -0.959 1.00 0.00 C ATOM 647 O LYS A 44 7.150 13.213 -1.703 1.00 0.00 O ATOM 648 CB LYS A 44 9.368 10.895 -1.669 1.00 0.00 C ATOM 649 CG LYS A 44 8.581 9.597 -1.730 1.00 0.00 C ATOM 650 CD LYS A 44 9.437 8.450 -2.239 1.00 0.00 C ATOM 651 CE LYS A 44 8.601 7.414 -2.975 1.00 0.00 C ATOM 652 NZ LYS A 44 8.437 7.756 -4.415 1.00 0.00 N ATOM 0 H LYS A 44 8.747 10.309 0.750 1.00 0.00 H new ATOM 0 HA LYS A 44 9.447 12.789 -0.653 1.00 0.00 H new ATOM 0 HB2 LYS A 44 9.349 11.368 -2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 44 10.410 10.668 -1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 44 8.199 9.355 -0.738 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.717 9.725 -2.382 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.207 8.838 -2.906 1.00 0.00 H new ATOM 0 HD3 LYS A 44 9.949 7.977 -1.401 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.073 6.436 -2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 44 7.620 7.339 -2.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 7.438 7.968 -4.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 9.018 8.588 -4.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.741 6.951 -5.000 1.00 0.00 H new ATOM 666 N TYR A 45 6.452 11.516 -0.401 1.00 0.00 N ATOM 667 CA TYR A 45 5.036 11.772 -0.637 1.00 0.00 C ATOM 668 C TYR A 45 4.401 12.466 0.563 1.00 0.00 C ATOM 669 O TYR A 45 3.177 12.546 0.674 1.00 0.00 O ATOM 670 CB TYR A 45 4.301 10.464 -0.932 1.00 0.00 C ATOM 671 CG TYR A 45 4.652 9.861 -2.274 1.00 0.00 C ATOM 672 CD1 TYR A 45 4.420 10.559 -3.453 1.00 0.00 C ATOM 673 CD2 TYR A 45 5.216 8.595 -2.362 1.00 0.00 C ATOM 674 CE1 TYR A 45 4.739 10.012 -4.681 1.00 0.00 C ATOM 675 CE2 TYR A 45 5.539 8.040 -3.586 1.00 0.00 C ATOM 676 CZ TYR A 45 5.298 8.753 -4.742 1.00 0.00 C ATOM 677 OH TYR A 45 5.618 8.205 -5.963 1.00 0.00 O ATOM 0 H TYR A 45 6.640 10.728 0.218 1.00 0.00 H new ATOM 0 HA TYR A 45 4.951 12.430 -1.501 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.531 9.743 -0.148 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.227 10.644 -0.894 1.00 0.00 H new ATOM 0 HD1 TYR A 45 3.983 11.546 -3.409 1.00 0.00 H new ATOM 0 HD2 TYR A 45 5.405 8.034 -1.459 1.00 0.00 H new ATOM 0 HE1 TYR A 45 4.552 10.567 -5.588 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.977 7.054 -3.637 1.00 0.00 H new ATOM 0 HH TYR A 45 5.848 8.920 -6.592 1.00 0.00 H new ATOM 687 N HIS A 46 5.242 12.969 1.462 1.00 0.00 N ATOM 688 CA HIS A 46 4.764 13.658 2.655 1.00 0.00 C ATOM 689 C HIS A 46 3.779 14.763 2.287 1.00 0.00 C ATOM 690 O HIS A 46 3.947 15.472 1.295 1.00 0.00 O ATOM 691 CB HIS A 46 5.940 14.246 3.436 1.00 0.00 C ATOM 692 CG HIS A 46 5.706 14.308 4.914 1.00 0.00 C ATOM 693 ND1 HIS A 46 5.130 15.394 5.540 1.00 0.00 N ATOM 694 CD2 HIS A 46 5.973 13.410 5.891 1.00 0.00 C ATOM 695 CE1 HIS A 46 5.055 15.161 6.838 1.00 0.00 C ATOM 696 NE2 HIS A 46 5.559 13.965 7.077 1.00 0.00 N ATOM 0 H HIS A 46 6.258 12.912 1.386 1.00 0.00 H new ATOM 0 HA HIS A 46 4.249 12.931 3.282 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.830 13.647 3.242 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.145 15.251 3.066 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.427 12.439 5.762 1.00 0.00 H new ATOM 0 HE1 HIS A 46 4.650 15.835 7.578 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.630 13.524 7.994 1.00 0.00 H new ATOM 704 N PRO A 47 2.725 14.913 3.102 1.00 0.00 N ATOM 705 CA PRO A 47 1.692 15.930 2.882 1.00 0.00 C ATOM 706 C PRO A 47 2.208 17.344 3.128 1.00 0.00 C ATOM 707 O PRO A 47 1.546 18.324 2.788 1.00 0.00 O ATOM 708 CB PRO A 47 0.614 15.569 3.907 1.00 0.00 C ATOM 709 CG PRO A 47 1.344 14.845 4.985 1.00 0.00 C ATOM 710 CD PRO A 47 2.460 14.103 4.303 1.00 0.00 C ATOM 0 HA PRO A 47 1.336 15.932 1.852 1.00 0.00 H new ATOM 0 HB2 PRO A 47 0.120 16.461 4.293 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -0.160 14.943 3.464 1.00 0.00 H new ATOM 0 HG2 PRO A 47 1.735 15.541 5.727 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.682 14.157 5.511 1.00 0.00 H new ATOM 0 HD2 PRO A 47 3.341 14.029 4.940 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.167 13.085 4.045 1.00 0.00 H new ATOM 718 N ASP A 48 3.394 17.441 3.719 1.00 0.00 N ATOM 719 CA ASP A 48 4.000 18.735 4.009 1.00 0.00 C ATOM 720 C ASP A 48 5.083 19.069 2.987 1.00 0.00 C ATOM 721 O ASP A 48 5.472 20.227 2.835 1.00 0.00 O ATOM 722 CB ASP A 48 4.592 18.741 5.419 1.00 0.00 C ATOM 723 CG ASP A 48 3.537 18.549 6.491 1.00 0.00 C ATOM 724 OD1 ASP A 48 2.692 17.643 6.336 1.00 0.00 O ATOM 725 OD2 ASP A 48 3.558 19.304 7.485 1.00 0.00 O ATOM 0 H ASP A 48 3.955 16.639 4.007 1.00 0.00 H new ATOM 0 HA ASP A 48 3.221 19.495 3.948 1.00 0.00 H new ATOM 0 HB2 ASP A 48 5.337 17.949 5.500 1.00 0.00 H new ATOM 0 HB3 ASP A 48 5.110 19.685 5.588 1.00 0.00 H new ATOM 730 N LYS A 49 5.566 18.047 2.290 1.00 0.00 N ATOM 731 CA LYS A 49 6.604 18.230 1.283 1.00 0.00 C ATOM 732 C LYS A 49 5.991 18.505 -0.087 1.00 0.00 C ATOM 733 O LYS A 49 6.588 19.187 -0.919 1.00 0.00 O ATOM 734 CB LYS A 49 7.500 16.991 1.212 1.00 0.00 C ATOM 735 CG LYS A 49 8.061 16.569 2.559 1.00 0.00 C ATOM 736 CD LYS A 49 9.396 17.238 2.842 1.00 0.00 C ATOM 737 CE LYS A 49 10.505 16.655 1.979 1.00 0.00 C ATOM 738 NZ LYS A 49 11.127 15.457 2.609 1.00 0.00 N ATOM 0 H LYS A 49 5.255 17.082 2.404 1.00 0.00 H new ATOM 0 HA LYS A 49 7.207 19.091 1.572 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.929 16.164 0.790 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.326 17.189 0.529 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.351 16.824 3.346 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.184 15.486 2.580 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.314 18.309 2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.650 17.115 3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 49 10.101 16.384 1.003 1.00 0.00 H new ATOM 0 HE3 LYS A 49 11.269 17.413 1.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.108 15.361 2.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 11.120 15.565 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 10.588 14.607 2.346 1.00 0.00 H new ATOM 752 N ASN A 50 4.795 17.971 -0.312 1.00 0.00 N ATOM 753 CA ASN A 50 4.101 18.161 -1.581 1.00 0.00 C ATOM 754 C ASN A 50 2.939 19.137 -1.425 1.00 0.00 C ATOM 755 O ASN A 50 2.234 19.146 -0.416 1.00 0.00 O ATOM 756 CB ASN A 50 3.587 16.820 -2.110 1.00 0.00 C ATOM 757 CG ASN A 50 4.697 15.801 -2.279 1.00 0.00 C ATOM 758 OD1 ASN A 50 5.141 15.529 -3.395 1.00 0.00 O ATOM 759 ND2 ASN A 50 5.152 15.232 -1.169 1.00 0.00 N ATOM 0 H ASN A 50 4.287 17.404 0.367 1.00 0.00 H new ATOM 0 HA ASN A 50 4.810 18.579 -2.295 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.837 16.426 -1.424 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.092 16.976 -3.068 1.00 0.00 H new ATOM 0 HD21 ASN A 50 5.899 14.539 -1.220 1.00 0.00 H new ATOM 0 HD22 ASN A 50 4.755 15.488 -0.265 1.00 0.00 H new ATOM 766 N PRO A 51 2.734 19.981 -2.447 1.00 0.00 N ATOM 767 CA PRO A 51 1.659 20.977 -2.448 1.00 0.00 C ATOM 768 C PRO A 51 0.279 20.340 -2.569 1.00 0.00 C ATOM 769 O PRO A 51 0.103 19.157 -2.275 1.00 0.00 O ATOM 770 CB PRO A 51 1.964 21.828 -3.683 1.00 0.00 C ATOM 771 CG PRO A 51 2.737 20.927 -4.583 1.00 0.00 C ATOM 772 CD PRO A 51 3.536 20.028 -3.681 1.00 0.00 C ATOM 0 HA PRO A 51 1.630 21.545 -1.518 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.048 22.174 -4.161 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.541 22.715 -3.420 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.070 20.347 -5.221 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.390 21.500 -5.241 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.665 19.036 -4.114 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.533 20.427 -3.497 1.00 0.00 H new ATOM 780 N ASP A 52 -0.697 21.130 -3.004 1.00 0.00 N ATOM 781 CA ASP A 52 -2.061 20.642 -3.166 1.00 0.00 C ATOM 782 C ASP A 52 -2.174 19.737 -4.389 1.00 0.00 C ATOM 783 O ASP A 52 -3.117 19.848 -5.171 1.00 0.00 O ATOM 784 CB ASP A 52 -3.034 21.815 -3.294 1.00 0.00 C ATOM 785 CG ASP A 52 -4.465 21.361 -3.501 1.00 0.00 C ATOM 786 OD1 ASP A 52 -4.995 20.649 -2.623 1.00 0.00 O ATOM 787 OD2 ASP A 52 -5.056 21.719 -4.541 1.00 0.00 O ATOM 0 H ASP A 52 -0.568 22.111 -3.251 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.319 20.061 -2.281 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.977 22.430 -2.396 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.731 22.445 -4.131 1.00 0.00 H new ATOM 792 N ASN A 53 -1.204 18.842 -4.548 1.00 0.00 N ATOM 793 CA ASN A 53 -1.193 17.919 -5.677 1.00 0.00 C ATOM 794 C ASN A 53 -1.953 16.640 -5.341 1.00 0.00 C ATOM 795 O ASN A 53 -1.748 16.022 -4.296 1.00 0.00 O ATOM 796 CB ASN A 53 0.246 17.581 -6.073 1.00 0.00 C ATOM 797 CG ASN A 53 0.390 16.155 -6.568 1.00 0.00 C ATOM 798 OD1 ASN A 53 -0.540 15.588 -7.141 1.00 0.00 O ATOM 799 ND2 ASN A 53 1.561 15.568 -6.348 1.00 0.00 N ATOM 0 H ASN A 53 -0.416 18.737 -3.909 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.689 18.406 -6.517 1.00 0.00 H new ATOM 0 HB2 ASN A 53 0.576 18.268 -6.852 1.00 0.00 H new ATOM 0 HB3 ASN A 53 0.901 17.733 -5.215 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.717 14.609 -6.658 1.00 0.00 H new ATOM 0 HD22 ASN A 53 2.304 16.076 -5.869 1.00 0.00 H new ATOM 806 N PRO A 54 -2.853 16.231 -6.248 1.00 0.00 N ATOM 807 CA PRO A 54 -3.662 15.021 -6.071 1.00 0.00 C ATOM 808 C PRO A 54 -2.830 13.747 -6.177 1.00 0.00 C ATOM 809 O PRO A 54 -2.858 12.901 -5.285 1.00 0.00 O ATOM 810 CB PRO A 54 -4.671 15.098 -7.219 1.00 0.00 C ATOM 811 CG PRO A 54 -3.999 15.924 -8.260 1.00 0.00 C ATOM 812 CD PRO A 54 -3.150 16.918 -7.516 1.00 0.00 C ATOM 0 HA PRO A 54 -4.122 14.979 -5.084 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -4.916 14.106 -7.598 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.606 15.555 -6.894 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.389 15.304 -8.916 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -4.731 16.430 -8.889 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -2.240 17.160 -8.065 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -3.681 17.856 -7.350 1.00 0.00 H new ATOM 820 N GLU A 55 -2.091 13.618 -7.275 1.00 0.00 N ATOM 821 CA GLU A 55 -1.252 12.447 -7.497 1.00 0.00 C ATOM 822 C GLU A 55 -0.395 12.151 -6.269 1.00 0.00 C ATOM 823 O GLU A 55 -0.161 10.992 -5.928 1.00 0.00 O ATOM 824 CB GLU A 55 -0.356 12.658 -8.719 1.00 0.00 C ATOM 825 CG GLU A 55 0.963 13.341 -8.396 1.00 0.00 C ATOM 826 CD GLU A 55 2.020 13.100 -9.457 1.00 0.00 C ATOM 827 OE1 GLU A 55 2.009 13.819 -10.478 1.00 0.00 O ATOM 828 OE2 GLU A 55 2.857 12.193 -9.266 1.00 0.00 O ATOM 0 H GLU A 55 -2.057 14.310 -8.024 1.00 0.00 H new ATOM 0 HA GLU A 55 -1.905 11.593 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -0.152 11.692 -9.180 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.894 13.255 -9.455 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.797 14.413 -8.291 1.00 0.00 H new ATOM 0 HG3 GLU A 55 1.329 12.980 -7.435 1.00 0.00 H new ATOM 835 N ALA A 56 0.069 13.207 -5.611 1.00 0.00 N ATOM 836 CA ALA A 56 0.898 13.061 -4.421 1.00 0.00 C ATOM 837 C ALA A 56 0.124 12.391 -3.291 1.00 0.00 C ATOM 838 O ALA A 56 0.603 11.437 -2.678 1.00 0.00 O ATOM 839 CB ALA A 56 1.421 14.418 -3.972 1.00 0.00 C ATOM 0 H ALA A 56 -0.115 14.173 -5.881 1.00 0.00 H new ATOM 0 HA ALA A 56 1.744 12.423 -4.675 1.00 0.00 H new ATOM 0 HB1 ALA A 56 2.038 14.294 -3.082 1.00 0.00 H new ATOM 0 HB2 ALA A 56 2.018 14.860 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 56 0.581 15.074 -3.742 1.00 0.00 H new ATOM 845 N ALA A 57 -1.075 12.896 -3.020 1.00 0.00 N ATOM 846 CA ALA A 57 -1.916 12.345 -1.965 1.00 0.00 C ATOM 847 C ALA A 57 -2.380 10.935 -2.313 1.00 0.00 C ATOM 848 O ALA A 57 -2.199 10.001 -1.532 1.00 0.00 O ATOM 849 CB ALA A 57 -3.113 13.251 -1.716 1.00 0.00 C ATOM 0 H ALA A 57 -1.486 13.686 -3.517 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.322 12.289 -1.053 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -3.732 12.827 -0.926 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.765 14.239 -1.414 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.700 13.337 -2.630 1.00 0.00 H new ATOM 855 N ASP A 58 -2.980 10.789 -3.489 1.00 0.00 N ATOM 856 CA ASP A 58 -3.471 9.492 -3.941 1.00 0.00 C ATOM 857 C ASP A 58 -2.460 8.392 -3.633 1.00 0.00 C ATOM 858 O ASP A 58 -2.832 7.246 -3.378 1.00 0.00 O ATOM 859 CB ASP A 58 -3.764 9.528 -5.442 1.00 0.00 C ATOM 860 CG ASP A 58 -4.772 8.476 -5.860 1.00 0.00 C ATOM 861 OD1 ASP A 58 -4.434 7.275 -5.803 1.00 0.00 O ATOM 862 OD2 ASP A 58 -5.898 8.853 -6.246 1.00 0.00 O ATOM 0 H ASP A 58 -3.138 11.552 -4.147 1.00 0.00 H new ATOM 0 HA ASP A 58 -4.394 9.273 -3.405 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.140 10.515 -5.712 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -2.836 9.378 -5.994 1.00 0.00 H new ATOM 867 N LYS A 59 -1.180 8.746 -3.661 1.00 0.00 N ATOM 868 CA LYS A 59 -0.114 7.790 -3.386 1.00 0.00 C ATOM 869 C LYS A 59 0.030 7.554 -1.886 1.00 0.00 C ATOM 870 O LYS A 59 -0.205 6.449 -1.396 1.00 0.00 O ATOM 871 CB LYS A 59 1.211 8.292 -3.964 1.00 0.00 C ATOM 872 CG LYS A 59 1.355 8.047 -5.456 1.00 0.00 C ATOM 873 CD LYS A 59 1.794 6.622 -5.747 1.00 0.00 C ATOM 874 CE LYS A 59 2.111 6.427 -7.222 1.00 0.00 C ATOM 875 NZ LYS A 59 2.410 5.003 -7.542 1.00 0.00 N ATOM 0 H LYS A 59 -0.855 9.690 -3.872 1.00 0.00 H new ATOM 0 HA LYS A 59 -0.375 6.845 -3.862 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.301 9.361 -3.769 1.00 0.00 H new ATOM 0 HB3 LYS A 59 2.034 7.803 -3.443 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.404 8.244 -5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.082 8.745 -5.872 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.674 6.382 -5.150 1.00 0.00 H new ATOM 0 HD3 LYS A 59 1.007 5.929 -5.448 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.266 6.765 -7.823 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.965 7.048 -7.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 2.621 4.912 -8.556 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.232 4.688 -6.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 1.586 4.414 -7.305 1.00 0.00 H new ATOM 889 N PHE A 60 0.416 8.599 -1.161 1.00 0.00 N ATOM 890 CA PHE A 60 0.591 8.504 0.283 1.00 0.00 C ATOM 891 C PHE A 60 -0.505 7.647 0.909 1.00 0.00 C ATOM 892 O PHE A 60 -0.228 6.630 1.545 1.00 0.00 O ATOM 893 CB PHE A 60 0.584 9.899 0.911 1.00 0.00 C ATOM 894 CG PHE A 60 1.178 9.939 2.290 1.00 0.00 C ATOM 895 CD1 PHE A 60 2.380 9.305 2.560 1.00 0.00 C ATOM 896 CD2 PHE A 60 0.535 10.611 3.317 1.00 0.00 C ATOM 897 CE1 PHE A 60 2.928 9.339 3.828 1.00 0.00 C ATOM 898 CE2 PHE A 60 1.078 10.649 4.587 1.00 0.00 C ATOM 899 CZ PHE A 60 2.277 10.013 4.843 1.00 0.00 C ATOM 0 H PHE A 60 0.613 9.521 -1.550 1.00 0.00 H new ATOM 0 HA PHE A 60 1.553 8.030 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.137 10.582 0.266 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.442 10.263 0.955 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.895 8.778 1.770 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.402 11.111 3.122 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.865 8.839 4.025 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.565 11.175 5.379 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.705 10.043 5.834 1.00 0.00 H new ATOM 909 N LYS A 61 -1.753 8.066 0.725 1.00 0.00 N ATOM 910 CA LYS A 61 -2.893 7.338 1.269 1.00 0.00 C ATOM 911 C LYS A 61 -2.751 5.840 1.021 1.00 0.00 C ATOM 912 O LYS A 61 -3.047 5.027 1.896 1.00 0.00 O ATOM 913 CB LYS A 61 -4.194 7.848 0.646 1.00 0.00 C ATOM 914 CG LYS A 61 -4.479 7.268 -0.728 1.00 0.00 C ATOM 915 CD LYS A 61 -5.885 7.603 -1.195 1.00 0.00 C ATOM 916 CE LYS A 61 -6.093 9.106 -1.307 1.00 0.00 C ATOM 917 NZ LYS A 61 -6.560 9.698 -0.023 1.00 0.00 N ATOM 0 H LYS A 61 -2.000 8.907 0.203 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.921 7.509 2.345 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -5.024 7.609 1.311 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -4.149 8.934 0.570 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -3.755 7.656 -1.445 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -4.352 6.186 -0.700 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -6.069 7.136 -2.163 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.610 7.185 -0.497 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -5.159 9.581 -1.607 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -6.822 9.314 -2.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -7.395 10.292 -0.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -6.810 8.937 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -5.802 10.279 0.387 1.00 0.00 H new ATOM 931 N GLU A 62 -2.296 5.483 -0.176 1.00 0.00 N ATOM 932 CA GLU A 62 -2.115 4.082 -0.537 1.00 0.00 C ATOM 933 C GLU A 62 -0.972 3.458 0.260 1.00 0.00 C ATOM 934 O GLU A 62 -1.044 2.296 0.661 1.00 0.00 O ATOM 935 CB GLU A 62 -1.836 3.951 -2.036 1.00 0.00 C ATOM 936 CG GLU A 62 -3.089 3.747 -2.871 1.00 0.00 C ATOM 937 CD GLU A 62 -4.263 4.567 -2.372 1.00 0.00 C ATOM 938 OE1 GLU A 62 -4.892 4.156 -1.375 1.00 0.00 O ATOM 939 OE2 GLU A 62 -4.552 5.619 -2.979 1.00 0.00 O ATOM 0 H GLU A 62 -2.046 6.144 -0.911 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.036 3.550 -0.298 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.321 4.848 -2.381 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -1.160 3.112 -2.200 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.878 4.014 -3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.359 2.691 -2.863 1.00 0.00 H new ATOM 946 N ILE A 63 0.079 4.238 0.485 1.00 0.00 N ATOM 947 CA ILE A 63 1.236 3.763 1.234 1.00 0.00 C ATOM 948 C ILE A 63 0.848 3.378 2.658 1.00 0.00 C ATOM 949 O ILE A 63 0.891 2.205 3.028 1.00 0.00 O ATOM 950 CB ILE A 63 2.348 4.827 1.287 1.00 0.00 C ATOM 951 CG1 ILE A 63 2.560 5.444 -0.097 1.00 0.00 C ATOM 952 CG2 ILE A 63 3.642 4.215 1.804 1.00 0.00 C ATOM 953 CD1 ILE A 63 3.767 6.353 -0.175 1.00 0.00 C ATOM 0 H ILE A 63 0.154 5.202 0.160 1.00 0.00 H new ATOM 0 HA ILE A 63 1.611 2.883 0.711 1.00 0.00 H new ATOM 0 HB ILE A 63 2.043 5.617 1.973 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.670 4.644 -0.829 1.00 0.00 H new ATOM 0 HG13 ILE A 63 1.671 6.010 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 63 4.419 4.979 1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 63 3.482 3.818 2.807 1.00 0.00 H new ATOM 0 HG23 ILE A 63 3.954 3.408 1.140 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.855 6.755 -1.184 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.651 7.174 0.533 1.00 0.00 H new ATOM 0 HD13 ILE A 63 4.665 5.787 0.070 1.00 0.00 H new ATOM 965 N ASN A 64 0.468 4.373 3.452 1.00 0.00 N ATOM 966 CA ASN A 64 0.072 4.139 4.836 1.00 0.00 C ATOM 967 C ASN A 64 -0.795 2.888 4.948 1.00 0.00 C ATOM 968 O ASN A 64 -0.571 2.042 5.813 1.00 0.00 O ATOM 969 CB ASN A 64 -0.687 5.349 5.383 1.00 0.00 C ATOM 970 CG ASN A 64 0.211 6.556 5.575 1.00 0.00 C ATOM 971 OD1 ASN A 64 0.939 6.651 6.563 1.00 0.00 O ATOM 972 ND2 ASN A 64 0.163 7.486 4.628 1.00 0.00 N ATOM 0 H ASN A 64 0.426 5.350 3.161 1.00 0.00 H new ATOM 0 HA ASN A 64 0.976 3.989 5.426 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -1.496 5.606 4.699 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -1.146 5.086 6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 64 0.745 8.321 4.703 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -0.456 7.366 3.826 1.00 0.00 H new ATOM 979 N ASN A 65 -1.784 2.779 4.068 1.00 0.00 N ATOM 980 CA ASN A 65 -2.684 1.631 4.068 1.00 0.00 C ATOM 981 C ASN A 65 -1.907 0.330 3.899 1.00 0.00 C ATOM 982 O ASN A 65 -1.851 -0.494 4.811 1.00 0.00 O ATOM 983 CB ASN A 65 -3.720 1.769 2.950 1.00 0.00 C ATOM 984 CG ASN A 65 -4.799 0.707 3.028 1.00 0.00 C ATOM 985 OD1 ASN A 65 -5.640 0.725 3.927 1.00 0.00 O ATOM 986 ND2 ASN A 65 -4.780 -0.226 2.083 1.00 0.00 N ATOM 0 H ASN A 65 -1.983 3.471 3.346 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.198 1.604 5.029 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -4.180 2.756 3.005 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.219 1.704 1.984 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.481 -0.967 2.083 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -4.064 -0.202 1.357 1.00 0.00 H new ATOM 993 N ALA A 66 -1.308 0.152 2.726 1.00 0.00 N ATOM 994 CA ALA A 66 -0.531 -1.047 2.438 1.00 0.00 C ATOM 995 C ALA A 66 0.434 -1.362 3.576 1.00 0.00 C ATOM 996 O ALA A 66 0.322 -2.399 4.230 1.00 0.00 O ATOM 997 CB ALA A 66 0.227 -0.884 1.129 1.00 0.00 C ATOM 0 H ALA A 66 -1.346 0.824 1.959 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.223 -1.884 2.341 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.803 -1.787 0.927 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -0.481 -0.716 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.903 -0.032 1.204 1.00 0.00 H new ATOM 1003 N HIS A 67 1.384 -0.461 3.805 1.00 0.00 N ATOM 1004 CA HIS A 67 2.371 -0.643 4.864 1.00 0.00 C ATOM 1005 C HIS A 67 1.697 -1.057 6.169 1.00 0.00 C ATOM 1006 O HIS A 67 2.132 -1.998 6.832 1.00 0.00 O ATOM 1007 CB HIS A 67 3.168 0.645 5.075 1.00 0.00 C ATOM 1008 CG HIS A 67 3.821 0.732 6.420 1.00 0.00 C ATOM 1009 ND1 HIS A 67 3.285 1.444 7.472 1.00 0.00 N ATOM 1010 CD2 HIS A 67 4.971 0.189 6.882 1.00 0.00 C ATOM 1011 CE1 HIS A 67 4.079 1.338 8.523 1.00 0.00 C ATOM 1012 NE2 HIS A 67 5.109 0.581 8.191 1.00 0.00 N ATOM 0 H HIS A 67 1.491 0.402 3.272 1.00 0.00 H new ATOM 0 HA HIS A 67 3.052 -1.437 4.559 1.00 0.00 H new ATOM 0 HB2 HIS A 67 3.934 0.719 4.303 1.00 0.00 H new ATOM 0 HB3 HIS A 67 2.503 1.499 4.947 1.00 0.00 H new ATOM 0 HD2 HIS A 67 5.653 -0.436 6.325 1.00 0.00 H new ATOM 0 HE1 HIS A 67 3.914 1.793 9.489 1.00 0.00 H new ATOM 0 HE2 HIS A 67 5.882 0.328 8.807 1.00 0.00 H new ATOM 1020 N ALA A 68 0.633 -0.347 6.532 1.00 0.00 N ATOM 1021 CA ALA A 68 -0.101 -0.642 7.756 1.00 0.00 C ATOM 1022 C ALA A 68 -0.672 -2.055 7.727 1.00 0.00 C ATOM 1023 O ALA A 68 -0.664 -2.759 8.737 1.00 0.00 O ATOM 1024 CB ALA A 68 -1.213 0.376 7.962 1.00 0.00 C ATOM 0 H ALA A 68 0.261 0.436 5.995 1.00 0.00 H new ATOM 0 HA ALA A 68 0.595 -0.578 8.593 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -1.753 0.144 8.880 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -0.783 1.375 8.037 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -1.901 0.340 7.117 1.00 0.00 H new ATOM 1030 N ILE A 69 -1.169 -2.463 6.564 1.00 0.00 N ATOM 1031 CA ILE A 69 -1.744 -3.793 6.404 1.00 0.00 C ATOM 1032 C ILE A 69 -0.670 -4.872 6.500 1.00 0.00 C ATOM 1033 O ILE A 69 -0.879 -5.918 7.116 1.00 0.00 O ATOM 1034 CB ILE A 69 -2.475 -3.932 5.056 1.00 0.00 C ATOM 1035 CG1 ILE A 69 -3.775 -3.125 5.070 1.00 0.00 C ATOM 1036 CG2 ILE A 69 -2.757 -5.396 4.754 1.00 0.00 C ATOM 1037 CD1 ILE A 69 -4.542 -3.191 3.768 1.00 0.00 C ATOM 0 H ILE A 69 -1.185 -1.892 5.719 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.462 -3.925 7.213 1.00 0.00 H new ATOM 0 HB ILE A 69 -1.833 -3.537 4.269 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.411 -3.491 5.876 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.544 -2.084 5.294 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -3.274 -5.477 3.798 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -1.817 -5.945 4.706 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.383 -5.816 5.542 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -5.452 -2.596 3.851 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.924 -2.798 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.804 -4.227 3.552 1.00 0.00 H new ATOM 1049 N LEU A 70 0.480 -4.610 5.890 1.00 0.00 N ATOM 1050 CA LEU A 70 1.589 -5.557 5.909 1.00 0.00 C ATOM 1051 C LEU A 70 2.207 -5.646 7.300 1.00 0.00 C ATOM 1052 O LEU A 70 2.199 -6.704 7.930 1.00 0.00 O ATOM 1053 CB LEU A 70 2.654 -5.146 4.890 1.00 0.00 C ATOM 1054 CG LEU A 70 2.298 -5.369 3.420 1.00 0.00 C ATOM 1055 CD1 LEU A 70 3.313 -4.687 2.516 1.00 0.00 C ATOM 1056 CD2 LEU A 70 2.221 -6.857 3.110 1.00 0.00 C ATOM 0 H LEU A 70 0.669 -3.750 5.376 1.00 0.00 H new ATOM 0 HA LEU A 70 1.199 -6.539 5.642 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.876 -4.088 5.033 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.569 -5.696 5.109 1.00 0.00 H new ATOM 0 HG LEU A 70 1.319 -4.927 3.232 1.00 0.00 H new ATOM 0 HD11 LEU A 70 3.044 -4.856 1.474 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.320 -3.616 2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.304 -5.099 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 70 1.967 -6.997 2.059 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.185 -7.322 3.315 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.456 -7.319 3.733 1.00 0.00 H new ATOM 1068 N THR A 71 2.742 -4.525 7.777 1.00 0.00 N ATOM 1069 CA THR A 71 3.363 -4.475 9.094 1.00 0.00 C ATOM 1070 C THR A 71 2.609 -5.347 10.091 1.00 0.00 C ATOM 1071 O THR A 71 3.202 -6.185 10.771 1.00 0.00 O ATOM 1072 CB THR A 71 3.423 -3.033 9.632 1.00 0.00 C ATOM 1073 OG1 THR A 71 2.202 -2.348 9.333 1.00 0.00 O ATOM 1074 CG2 THR A 71 4.596 -2.278 9.027 1.00 0.00 C ATOM 0 H THR A 71 2.757 -3.640 7.270 1.00 0.00 H new ATOM 0 HA THR A 71 4.378 -4.855 8.979 1.00 0.00 H new ATOM 0 HB THR A 71 3.559 -3.077 10.713 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.298 -1.864 8.486 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.618 -1.262 9.422 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.526 -2.786 9.282 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.486 -2.244 7.943 1.00 0.00 H new ATOM 1082 N ASP A 72 1.298 -5.146 10.173 1.00 0.00 N ATOM 1083 CA ASP A 72 0.462 -5.915 11.087 1.00 0.00 C ATOM 1084 C ASP A 72 0.219 -7.322 10.547 1.00 0.00 C ATOM 1085 O ASP A 72 -0.434 -7.499 9.520 1.00 0.00 O ATOM 1086 CB ASP A 72 -0.874 -5.205 11.311 1.00 0.00 C ATOM 1087 CG ASP A 72 -0.813 -4.204 12.448 1.00 0.00 C ATOM 1088 OD1 ASP A 72 -0.452 -3.036 12.191 1.00 0.00 O ATOM 1089 OD2 ASP A 72 -1.126 -4.588 13.594 1.00 0.00 O ATOM 0 H ASP A 72 0.792 -4.457 9.617 1.00 0.00 H new ATOM 0 HA ASP A 72 0.986 -5.995 12.039 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -1.168 -4.693 10.395 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -1.645 -5.946 11.524 1.00 0.00 H new ATOM 1094 N ALA A 73 0.752 -8.318 11.247 1.00 0.00 N ATOM 1095 CA ALA A 73 0.592 -9.709 10.839 1.00 0.00 C ATOM 1096 C ALA A 73 -0.873 -10.039 10.576 1.00 0.00 C ATOM 1097 O ALA A 73 -1.234 -10.482 9.485 1.00 0.00 O ATOM 1098 CB ALA A 73 1.163 -10.638 11.900 1.00 0.00 C ATOM 0 H ALA A 73 1.298 -8.188 12.099 1.00 0.00 H new ATOM 0 HA ALA A 73 1.142 -9.855 9.909 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.037 -11.673 11.583 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.224 -10.427 12.036 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.638 -10.481 12.842 1.00 0.00 H new ATOM 1104 N THR A 74 -1.714 -9.821 11.582 1.00 0.00 N ATOM 1105 CA THR A 74 -3.140 -10.098 11.460 1.00 0.00 C ATOM 1106 C THR A 74 -3.706 -9.507 10.174 1.00 0.00 C ATOM 1107 O THR A 74 -4.545 -10.120 9.513 1.00 0.00 O ATOM 1108 CB THR A 74 -3.926 -9.536 12.659 1.00 0.00 C ATOM 1109 OG1 THR A 74 -3.362 -10.018 13.884 1.00 0.00 O ATOM 1110 CG2 THR A 74 -5.392 -9.932 12.579 1.00 0.00 C ATOM 0 H THR A 74 -1.432 -9.453 12.491 1.00 0.00 H new ATOM 0 HA THR A 74 -3.251 -11.182 11.439 1.00 0.00 H new ATOM 0 HB THR A 74 -3.858 -8.448 12.632 1.00 0.00 H new ATOM 0 HG1 THR A 74 -3.866 -9.655 14.642 1.00 0.00 H new ATOM 0 HG21 THR A 74 -5.927 -9.524 13.437 1.00 0.00 H new ATOM 0 HG22 THR A 74 -5.826 -9.538 11.660 1.00 0.00 H new ATOM 0 HG23 THR A 74 -5.476 -11.019 12.583 1.00 0.00 H new ATOM 1118 N LYS A 75 -3.241 -8.313 9.822 1.00 0.00 N ATOM 1119 CA LYS A 75 -3.699 -7.639 8.613 1.00 0.00 C ATOM 1120 C LYS A 75 -3.213 -8.369 7.365 1.00 0.00 C ATOM 1121 O LYS A 75 -4.005 -8.714 6.488 1.00 0.00 O ATOM 1122 CB LYS A 75 -3.206 -6.191 8.593 1.00 0.00 C ATOM 1123 CG LYS A 75 -4.075 -5.241 9.399 1.00 0.00 C ATOM 1124 CD LYS A 75 -5.181 -4.639 8.548 1.00 0.00 C ATOM 1125 CE LYS A 75 -6.439 -5.493 8.583 1.00 0.00 C ATOM 1126 NZ LYS A 75 -6.445 -6.517 7.503 1.00 0.00 N ATOM 0 H LYS A 75 -2.547 -7.792 10.357 1.00 0.00 H new ATOM 0 HA LYS A 75 -4.789 -7.645 8.615 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -2.188 -6.157 8.982 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -3.165 -5.844 7.560 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.513 -5.774 10.243 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.458 -4.443 9.812 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.411 -3.635 8.906 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.836 -4.539 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.516 -5.987 9.552 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -7.315 -4.853 8.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -7.394 -6.571 7.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.755 -6.254 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -6.190 -7.443 7.901 1.00 0.00 H new ATOM 1140 N ARG A 76 -1.907 -8.603 7.293 1.00 0.00 N ATOM 1141 CA ARG A 76 -1.316 -9.293 6.153 1.00 0.00 C ATOM 1142 C ARG A 76 -1.990 -10.643 5.925 1.00 0.00 C ATOM 1143 O ARG A 76 -2.181 -11.068 4.786 1.00 0.00 O ATOM 1144 CB ARG A 76 0.185 -9.491 6.371 1.00 0.00 C ATOM 1145 CG ARG A 76 0.831 -10.422 5.357 1.00 0.00 C ATOM 1146 CD ARG A 76 2.345 -10.279 5.355 1.00 0.00 C ATOM 1147 NE ARG A 76 2.979 -11.186 4.402 1.00 0.00 N ATOM 1148 CZ ARG A 76 3.245 -12.460 4.666 1.00 0.00 C ATOM 1149 NH1 ARG A 76 2.934 -12.975 5.848 1.00 0.00 N ATOM 1150 NH2 ARG A 76 3.824 -13.223 3.747 1.00 0.00 N ATOM 0 H ARG A 76 -1.238 -8.325 8.011 1.00 0.00 H new ATOM 0 HA ARG A 76 -1.469 -8.676 5.268 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.681 -8.521 6.328 1.00 0.00 H new ATOM 0 HB3 ARG A 76 0.349 -9.889 7.373 1.00 0.00 H new ATOM 0 HG2 ARG A 76 0.562 -11.453 5.585 1.00 0.00 H new ATOM 0 HG3 ARG A 76 0.443 -10.204 4.362 1.00 0.00 H new ATOM 0 HD2 ARG A 76 2.612 -9.251 5.110 1.00 0.00 H new ATOM 0 HD3 ARG A 76 2.729 -10.478 6.355 1.00 0.00 H new ATOM 0 HE ARG A 76 3.231 -10.821 3.484 1.00 0.00 H new ATOM 0 HH11 ARG A 76 2.489 -12.392 6.557 1.00 0.00 H new ATOM 0 HH12 ARG A 76 3.140 -13.954 6.048 1.00 0.00 H new ATOM 0 HH21 ARG A 76 4.065 -12.831 2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 76 4.028 -14.201 3.951 1.00 0.00 H new ATOM 1164 N ASN A 77 -2.348 -11.312 7.016 1.00 0.00 N ATOM 1165 CA ASN A 77 -3.000 -12.614 6.935 1.00 0.00 C ATOM 1166 C ASN A 77 -4.301 -12.522 6.145 1.00 0.00 C ATOM 1167 O ASN A 77 -4.492 -13.236 5.160 1.00 0.00 O ATOM 1168 CB ASN A 77 -3.279 -13.155 8.339 1.00 0.00 C ATOM 1169 CG ASN A 77 -3.749 -14.597 8.319 1.00 0.00 C ATOM 1170 OD1 ASN A 77 -3.965 -15.177 7.255 1.00 0.00 O ATOM 1171 ND2 ASN A 77 -3.911 -15.182 9.500 1.00 0.00 N ATOM 0 H ASN A 77 -2.198 -10.974 7.967 1.00 0.00 H new ATOM 0 HA ASN A 77 -2.329 -13.298 6.416 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -2.374 -13.079 8.941 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -4.036 -12.536 8.821 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -4.226 -16.151 9.550 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -3.720 -14.663 10.357 1.00 0.00 H new ATOM 1178 N ILE A 78 -5.192 -11.639 6.583 1.00 0.00 N ATOM 1179 CA ILE A 78 -6.475 -11.453 5.915 1.00 0.00 C ATOM 1180 C ILE A 78 -6.286 -11.194 4.424 1.00 0.00 C ATOM 1181 O ILE A 78 -7.118 -11.584 3.605 1.00 0.00 O ATOM 1182 CB ILE A 78 -7.266 -10.285 6.531 1.00 0.00 C ATOM 1183 CG1 ILE A 78 -7.615 -10.589 7.990 1.00 0.00 C ATOM 1184 CG2 ILE A 78 -8.528 -10.016 5.725 1.00 0.00 C ATOM 1185 CD1 ILE A 78 -8.030 -9.368 8.779 1.00 0.00 C ATOM 0 H ILE A 78 -5.050 -11.041 7.397 1.00 0.00 H new ATOM 0 HA ILE A 78 -7.039 -12.376 6.053 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.643 -9.391 6.504 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -8.422 -11.321 8.017 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.753 -11.048 8.473 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -9.076 -9.187 6.173 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -8.258 -9.760 4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -9.155 -10.907 5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -8.263 -9.659 9.804 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -7.216 -8.643 8.783 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -8.911 -8.920 8.320 1.00 0.00 H new ATOM 1197 N TYR A 79 -5.185 -10.536 4.079 1.00 0.00 N ATOM 1198 CA TYR A 79 -4.886 -10.224 2.686 1.00 0.00 C ATOM 1199 C TYR A 79 -4.445 -11.474 1.930 1.00 0.00 C ATOM 1200 O TYR A 79 -5.107 -11.910 0.990 1.00 0.00 O ATOM 1201 CB TYR A 79 -3.797 -9.153 2.604 1.00 0.00 C ATOM 1202 CG TYR A 79 -3.730 -8.460 1.261 1.00 0.00 C ATOM 1203 CD1 TYR A 79 -4.828 -7.777 0.754 1.00 0.00 C ATOM 1204 CD2 TYR A 79 -2.568 -8.489 0.500 1.00 0.00 C ATOM 1205 CE1 TYR A 79 -4.771 -7.143 -0.472 1.00 0.00 C ATOM 1206 CE2 TYR A 79 -2.501 -7.857 -0.726 1.00 0.00 C ATOM 1207 CZ TYR A 79 -3.606 -7.186 -1.208 1.00 0.00 C ATOM 1208 OH TYR A 79 -3.544 -6.556 -2.430 1.00 0.00 O ATOM 0 H TYR A 79 -4.485 -10.208 4.744 1.00 0.00 H new ATOM 0 HA TYR A 79 -5.796 -9.843 2.222 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -3.973 -8.408 3.380 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -2.831 -9.612 2.816 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -5.742 -7.741 1.328 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -1.702 -9.015 0.874 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -5.634 -6.617 -0.852 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -1.589 -7.888 -1.304 1.00 0.00 H new ATOM 0 HH TYR A 79 -2.653 -6.681 -2.818 1.00 0.00 H new ATOM 1218 N ASP A 80 -3.321 -12.044 2.350 1.00 0.00 N ATOM 1219 CA ASP A 80 -2.790 -13.245 1.716 1.00 0.00 C ATOM 1220 C ASP A 80 -3.872 -14.311 1.580 1.00 0.00 C ATOM 1221 O ASP A 80 -4.040 -14.908 0.516 1.00 0.00 O ATOM 1222 CB ASP A 80 -1.612 -13.795 2.522 1.00 0.00 C ATOM 1223 CG ASP A 80 -1.030 -15.055 1.911 1.00 0.00 C ATOM 1224 OD1 ASP A 80 -1.026 -15.162 0.667 1.00 0.00 O ATOM 1225 OD2 ASP A 80 -0.580 -15.933 2.677 1.00 0.00 O ATOM 0 H ASP A 80 -2.760 -11.694 3.127 1.00 0.00 H new ATOM 0 HA ASP A 80 -2.443 -12.976 0.718 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -0.834 -13.034 2.588 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -1.939 -14.006 3.540 1.00 0.00 H new ATOM 1230 N LYS A 81 -4.602 -14.547 2.664 1.00 0.00 N ATOM 1231 CA LYS A 81 -5.669 -15.542 2.667 1.00 0.00 C ATOM 1232 C LYS A 81 -6.817 -15.112 1.759 1.00 0.00 C ATOM 1233 O LYS A 81 -7.162 -15.810 0.806 1.00 0.00 O ATOM 1234 CB LYS A 81 -6.185 -15.762 4.091 1.00 0.00 C ATOM 1235 CG LYS A 81 -5.451 -16.859 4.841 1.00 0.00 C ATOM 1236 CD LYS A 81 -6.134 -17.186 6.159 1.00 0.00 C ATOM 1237 CE LYS A 81 -5.927 -18.642 6.547 1.00 0.00 C ATOM 1238 NZ LYS A 81 -5.971 -18.834 8.024 1.00 0.00 N ATOM 0 H LYS A 81 -4.475 -14.063 3.553 1.00 0.00 H new ATOM 0 HA LYS A 81 -5.260 -16.478 2.287 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -6.096 -14.830 4.649 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -7.246 -16.009 4.050 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -5.404 -17.755 4.222 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -4.424 -16.547 5.030 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -5.741 -16.540 6.944 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -7.201 -16.978 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -6.696 -19.256 6.078 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -4.966 -18.987 6.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -5.826 -19.839 8.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -5.221 -18.268 8.470 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -6.897 -18.529 8.386 1.00 0.00 H new ATOM 1252 N TYR A 82 -7.402 -13.958 2.061 1.00 0.00 N ATOM 1253 CA TYR A 82 -8.512 -13.436 1.272 1.00 0.00 C ATOM 1254 C TYR A 82 -8.025 -12.395 0.269 1.00 0.00 C ATOM 1255 O TYR A 82 -8.090 -12.604 -0.942 1.00 0.00 O ATOM 1256 CB TYR A 82 -9.571 -12.820 2.188 1.00 0.00 C ATOM 1257 CG TYR A 82 -9.896 -13.671 3.395 1.00 0.00 C ATOM 1258 CD1 TYR A 82 -9.621 -15.033 3.404 1.00 0.00 C ATOM 1259 CD2 TYR A 82 -10.477 -13.113 4.527 1.00 0.00 C ATOM 1260 CE1 TYR A 82 -9.917 -15.815 4.504 1.00 0.00 C ATOM 1261 CE2 TYR A 82 -10.775 -13.887 5.632 1.00 0.00 C ATOM 1262 CZ TYR A 82 -10.493 -15.237 5.616 1.00 0.00 C ATOM 1263 OH TYR A 82 -10.789 -16.011 6.714 1.00 0.00 O ATOM 0 H TYR A 82 -7.127 -13.367 2.845 1.00 0.00 H new ATOM 0 HA TYR A 82 -8.955 -14.266 0.722 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -9.224 -11.843 2.525 1.00 0.00 H new ATOM 0 HB3 TYR A 82 -10.483 -12.654 1.615 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -9.168 -15.488 2.536 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -10.699 -12.056 4.543 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -9.699 -16.873 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -11.226 -13.437 6.504 1.00 0.00 H new ATOM 0 HH TYR A 82 -11.190 -15.450 7.411 1.00 0.00 H new ATOM 1273 N GLY A 83 -7.535 -11.270 0.783 1.00 0.00 N ATOM 1274 CA GLY A 83 -7.043 -10.213 -0.080 1.00 0.00 C ATOM 1275 C GLY A 83 -7.827 -8.925 0.076 1.00 0.00 C ATOM 1276 O GLY A 83 -8.429 -8.679 1.121 1.00 0.00 O ATOM 0 H GLY A 83 -7.470 -11.073 1.782 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -5.993 -10.025 0.144 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -7.094 -10.542 -1.118 1.00 0.00 H new ATOM 1280 N SER A 84 -7.820 -8.100 -0.966 1.00 0.00 N ATOM 1281 CA SER A 84 -8.531 -6.827 -0.939 1.00 0.00 C ATOM 1282 C SER A 84 -9.932 -7.001 -0.359 1.00 0.00 C ATOM 1283 O SER A 84 -10.397 -6.177 0.430 1.00 0.00 O ATOM 1284 CB SER A 84 -8.619 -6.237 -2.347 1.00 0.00 C ATOM 1285 OG SER A 84 -9.521 -5.145 -2.387 1.00 0.00 O ATOM 0 H SER A 84 -7.330 -8.290 -1.840 1.00 0.00 H new ATOM 0 HA SER A 84 -7.974 -6.141 -0.301 1.00 0.00 H new ATOM 0 HB2 SER A 84 -7.631 -5.909 -2.669 1.00 0.00 H new ATOM 0 HB3 SER A 84 -8.943 -7.007 -3.048 1.00 0.00 H new ATOM 0 HG SER A 84 -9.558 -4.785 -3.298 1.00 0.00 H new ATOM 1291 N LEU A 85 -10.600 -8.078 -0.756 1.00 0.00 N ATOM 1292 CA LEU A 85 -11.949 -8.362 -0.278 1.00 0.00 C ATOM 1293 C LEU A 85 -11.966 -8.517 1.240 1.00 0.00 C ATOM 1294 O LEU A 85 -12.643 -7.767 1.943 1.00 0.00 O ATOM 1295 CB LEU A 85 -12.489 -9.631 -0.938 1.00 0.00 C ATOM 1296 CG LEU A 85 -13.968 -9.936 -0.696 1.00 0.00 C ATOM 1297 CD1 LEU A 85 -14.844 -9.057 -1.575 1.00 0.00 C ATOM 1298 CD2 LEU A 85 -14.258 -11.408 -0.953 1.00 0.00 C ATOM 0 H LEU A 85 -10.230 -8.770 -1.408 1.00 0.00 H new ATOM 0 HA LEU A 85 -12.588 -7.521 -0.547 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.325 -9.555 -2.013 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -11.901 -10.478 -0.585 1.00 0.00 H new ATOM 0 HG LEU A 85 -14.199 -9.718 0.347 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -15.893 -9.288 -1.390 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -14.656 -8.009 -1.343 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -14.611 -9.244 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -15.315 -11.607 -0.776 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -14.011 -11.653 -1.986 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -13.656 -12.020 -0.281 1.00 0.00 H new ATOM 1310 N GLY A 86 -11.216 -9.494 1.739 1.00 0.00 N ATOM 1311 CA GLY A 86 -11.158 -9.728 3.170 1.00 0.00 C ATOM 1312 C GLY A 86 -10.847 -8.467 3.951 1.00 0.00 C ATOM 1313 O GLY A 86 -11.033 -8.420 5.168 1.00 0.00 O ATOM 0 H GLY A 86 -10.647 -10.128 1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -12.111 -10.135 3.507 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -10.398 -10.480 3.382 1.00 0.00 H new ATOM 1317 N LEU A 87 -10.371 -7.443 3.253 1.00 0.00 N ATOM 1318 CA LEU A 87 -10.031 -6.175 3.890 1.00 0.00 C ATOM 1319 C LEU A 87 -11.249 -5.259 3.963 1.00 0.00 C ATOM 1320 O LEU A 87 -11.352 -4.416 4.855 1.00 0.00 O ATOM 1321 CB LEU A 87 -8.904 -5.482 3.122 1.00 0.00 C ATOM 1322 CG LEU A 87 -7.564 -6.217 3.089 1.00 0.00 C ATOM 1323 CD1 LEU A 87 -6.548 -5.439 2.267 1.00 0.00 C ATOM 1324 CD2 LEU A 87 -7.046 -6.446 4.502 1.00 0.00 C ATOM 0 H LEU A 87 -10.211 -7.465 2.246 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.695 -6.385 4.905 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.234 -5.324 2.095 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.745 -4.497 3.561 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.716 -7.188 2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -5.601 -5.978 2.255 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.915 -5.327 1.247 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.400 -4.454 2.709 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -6.091 -6.970 4.459 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.911 -5.486 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -7.765 -7.046 5.060 1.00 0.00 H new ATOM 1336 N TYR A 88 -12.171 -5.432 3.022 1.00 0.00 N ATOM 1337 CA TYR A 88 -13.382 -4.622 2.980 1.00 0.00 C ATOM 1338 C TYR A 88 -14.241 -4.861 4.218 1.00 0.00 C ATOM 1339 O TYR A 88 -14.815 -3.929 4.779 1.00 0.00 O ATOM 1340 CB TYR A 88 -14.187 -4.936 1.718 1.00 0.00 C ATOM 1341 CG TYR A 88 -15.238 -6.003 1.920 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -16.315 -5.794 2.773 1.00 0.00 C ATOM 1343 CD2 TYR A 88 -15.155 -7.222 1.257 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -17.277 -6.767 2.962 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -16.113 -8.200 1.439 1.00 0.00 C ATOM 1346 CZ TYR A 88 -17.172 -7.969 2.292 1.00 0.00 C ATOM 1347 OH TYR A 88 -18.129 -8.940 2.476 1.00 0.00 O ATOM 0 H TYR A 88 -12.102 -6.126 2.278 1.00 0.00 H new ATOM 0 HA TYR A 88 -13.086 -3.573 2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -14.670 -4.023 1.369 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -13.503 -5.256 0.931 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -16.401 -4.854 3.298 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -14.327 -7.407 0.588 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -18.106 -6.588 3.630 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -16.033 -9.141 0.916 1.00 0.00 H new ATOM 0 HH TYR A 88 -17.908 -9.724 1.931 1.00 0.00 H new ATOM 1357 N VAL A 89 -14.324 -6.120 4.638 1.00 0.00 N ATOM 1358 CA VAL A 89 -15.110 -6.484 5.810 1.00 0.00 C ATOM 1359 C VAL A 89 -14.490 -5.923 7.085 1.00 0.00 C ATOM 1360 O VAL A 89 -15.198 -5.530 8.011 1.00 0.00 O ATOM 1361 CB VAL A 89 -15.241 -8.013 5.945 1.00 0.00 C ATOM 1362 CG1 VAL A 89 -16.136 -8.370 7.123 1.00 0.00 C ATOM 1363 CG2 VAL A 89 -15.775 -8.618 4.656 1.00 0.00 C ATOM 0 H VAL A 89 -13.856 -6.904 4.184 1.00 0.00 H new ATOM 0 HA VAL A 89 -16.101 -6.052 5.672 1.00 0.00 H new ATOM 0 HB VAL A 89 -14.251 -8.430 6.132 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -16.217 -9.454 7.203 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -15.706 -7.970 8.041 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -17.127 -7.942 6.970 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -15.861 -9.699 4.770 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -16.756 -8.197 4.436 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -15.091 -8.393 3.838 1.00 0.00 H new ATOM 1373 N ALA A 90 -13.162 -5.889 7.125 1.00 0.00 N ATOM 1374 CA ALA A 90 -12.445 -5.374 8.284 1.00 0.00 C ATOM 1375 C ALA A 90 -12.548 -3.855 8.363 1.00 0.00 C ATOM 1376 O ALA A 90 -12.249 -3.256 9.396 1.00 0.00 O ATOM 1377 CB ALA A 90 -10.987 -5.805 8.238 1.00 0.00 C ATOM 0 H ALA A 90 -12.561 -6.212 6.367 1.00 0.00 H new ATOM 0 HA ALA A 90 -12.907 -5.790 9.180 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -10.464 -5.413 9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -10.929 -6.893 8.239 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -10.522 -5.418 7.332 1.00 0.00 H new ATOM 1383 N GLU A 91 -12.972 -3.237 7.265 1.00 0.00 N ATOM 1384 CA GLU A 91 -13.112 -1.787 7.210 1.00 0.00 C ATOM 1385 C GLU A 91 -14.415 -1.341 7.867 1.00 0.00 C ATOM 1386 O GLU A 91 -14.407 -0.549 8.809 1.00 0.00 O ATOM 1387 CB GLU A 91 -13.068 -1.302 5.760 1.00 0.00 C ATOM 1388 CG GLU A 91 -12.603 0.137 5.613 1.00 0.00 C ATOM 1389 CD GLU A 91 -11.307 0.410 6.352 1.00 0.00 C ATOM 1390 OE1 GLU A 91 -10.420 -0.470 6.338 1.00 0.00 O ATOM 1391 OE2 GLU A 91 -11.179 1.502 6.944 1.00 0.00 O ATOM 0 H GLU A 91 -13.224 -3.718 6.402 1.00 0.00 H new ATOM 0 HA GLU A 91 -12.279 -1.347 7.758 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -12.403 -1.950 5.189 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -14.062 -1.400 5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -12.469 0.365 4.556 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -13.378 0.805 5.988 1.00 0.00 H new ATOM 1398 N GLN A 92 -15.532 -1.855 7.362 1.00 0.00 N ATOM 1399 CA GLN A 92 -16.843 -1.509 7.899 1.00 0.00 C ATOM 1400 C GLN A 92 -17.097 -2.228 9.220 1.00 0.00 C ATOM 1401 O GLN A 92 -17.424 -1.601 10.227 1.00 0.00 O ATOM 1402 CB GLN A 92 -17.939 -1.863 6.893 1.00 0.00 C ATOM 1403 CG GLN A 92 -17.943 -3.328 6.487 1.00 0.00 C ATOM 1404 CD GLN A 92 -18.502 -3.547 5.095 1.00 0.00 C ATOM 1405 OE1 GLN A 92 -17.807 -3.354 4.097 1.00 0.00 O ATOM 1406 NE2 GLN A 92 -19.765 -3.952 5.021 1.00 0.00 N ATOM 0 H GLN A 92 -15.555 -2.512 6.582 1.00 0.00 H new ATOM 0 HA GLN A 92 -16.861 -0.435 8.082 1.00 0.00 H new ATOM 0 HB2 GLN A 92 -18.909 -1.611 7.322 1.00 0.00 H new ATOM 0 HB3 GLN A 92 -17.815 -1.248 6.002 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -16.925 -3.716 6.531 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -18.533 -3.898 7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -20.304 -4.099 5.874 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -20.196 -4.116 4.111 1.00 0.00 H new ATOM 1415 N PHE A 93 -16.945 -3.549 9.208 1.00 0.00 N ATOM 1416 CA PHE A 93 -17.160 -4.354 10.405 1.00 0.00 C ATOM 1417 C PHE A 93 -15.924 -4.340 11.299 1.00 0.00 C ATOM 1418 O PHE A 93 -15.914 -3.706 12.353 1.00 0.00 O ATOM 1419 CB PHE A 93 -17.510 -5.793 10.021 1.00 0.00 C ATOM 1420 CG PHE A 93 -18.644 -5.893 9.041 1.00 0.00 C ATOM 1421 CD1 PHE A 93 -19.953 -5.707 9.455 1.00 0.00 C ATOM 1422 CD2 PHE A 93 -18.401 -6.174 7.706 1.00 0.00 C ATOM 1423 CE1 PHE A 93 -20.998 -5.800 8.556 1.00 0.00 C ATOM 1424 CE2 PHE A 93 -19.442 -6.267 6.802 1.00 0.00 C ATOM 1425 CZ PHE A 93 -20.742 -6.079 7.227 1.00 0.00 C ATOM 0 H PHE A 93 -16.674 -4.084 8.383 1.00 0.00 H new ATOM 0 HA PHE A 93 -17.992 -3.921 10.960 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -16.628 -6.271 9.594 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -17.769 -6.348 10.922 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -20.159 -5.487 10.492 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -17.386 -6.322 7.368 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -22.014 -5.655 8.892 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -19.239 -6.486 5.764 1.00 0.00 H new ATOM 0 HZ PHE A 93 -21.557 -6.150 6.522 1.00 0.00 H new ATOM 1435 N GLY A 94 -14.882 -5.045 10.868 1.00 0.00 N ATOM 1436 CA GLY A 94 -13.654 -5.101 11.641 1.00 0.00 C ATOM 1437 C GLY A 94 -12.904 -6.403 11.443 1.00 0.00 C ATOM 1438 O GLY A 94 -13.444 -7.359 10.887 1.00 0.00 O ATOM 0 H GLY A 94 -14.866 -5.578 9.998 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -13.011 -4.268 11.357 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -13.888 -4.977 12.698 1.00 0.00 H new ATOM 1442 N GLU A 95 -11.655 -6.440 11.897 1.00 0.00 N ATOM 1443 CA GLU A 95 -10.830 -7.635 11.764 1.00 0.00 C ATOM 1444 C GLU A 95 -11.492 -8.832 12.439 1.00 0.00 C ATOM 1445 O GLU A 95 -11.613 -9.903 11.846 1.00 0.00 O ATOM 1446 CB GLU A 95 -9.445 -7.395 12.370 1.00 0.00 C ATOM 1447 CG GLU A 95 -8.681 -6.259 11.711 1.00 0.00 C ATOM 1448 CD GLU A 95 -7.671 -5.617 12.644 1.00 0.00 C ATOM 1449 OE1 GLU A 95 -7.980 -5.478 13.846 1.00 0.00 O ATOM 1450 OE2 GLU A 95 -6.574 -5.254 12.171 1.00 0.00 O ATOM 0 H GLU A 95 -11.193 -5.657 12.360 1.00 0.00 H new ATOM 0 HA GLU A 95 -10.721 -7.854 10.702 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -9.555 -7.179 13.433 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -8.859 -8.311 12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -8.166 -6.637 10.828 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.387 -5.502 11.369 1.00 0.00 H new ATOM 1457 N GLU A 96 -11.918 -8.641 13.684 1.00 0.00 N ATOM 1458 CA GLU A 96 -12.567 -9.706 14.440 1.00 0.00 C ATOM 1459 C GLU A 96 -13.815 -10.204 13.717 1.00 0.00 C ATOM 1460 O GLU A 96 -14.180 -11.374 13.822 1.00 0.00 O ATOM 1461 CB GLU A 96 -12.937 -9.214 15.841 1.00 0.00 C ATOM 1462 CG GLU A 96 -13.723 -10.229 16.654 1.00 0.00 C ATOM 1463 CD GLU A 96 -13.752 -9.894 18.133 1.00 0.00 C ATOM 1464 OE1 GLU A 96 -14.622 -9.099 18.545 1.00 0.00 O ATOM 1465 OE2 GLU A 96 -12.904 -10.429 18.878 1.00 0.00 O ATOM 0 H GLU A 96 -11.826 -7.760 14.190 1.00 0.00 H new ATOM 0 HA GLU A 96 -11.865 -10.535 14.528 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -12.025 -8.957 16.380 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -13.523 -8.299 15.753 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -14.744 -10.279 16.276 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -13.284 -11.217 16.517 1.00 0.00 H new ATOM 1472 N ASN A 97 -14.465 -9.306 12.984 1.00 0.00 N ATOM 1473 CA ASN A 97 -15.673 -9.653 12.245 1.00 0.00 C ATOM 1474 C ASN A 97 -15.335 -10.473 11.004 1.00 0.00 C ATOM 1475 O ASN A 97 -16.082 -11.371 10.616 1.00 0.00 O ATOM 1476 CB ASN A 97 -16.431 -8.387 11.842 1.00 0.00 C ATOM 1477 CG ASN A 97 -17.108 -7.717 13.022 1.00 0.00 C ATOM 1478 OD1 ASN A 97 -18.252 -8.028 13.354 1.00 0.00 O ATOM 1479 ND2 ASN A 97 -16.401 -6.794 13.664 1.00 0.00 N ATOM 0 H ASN A 97 -14.175 -8.333 12.886 1.00 0.00 H new ATOM 0 HA ASN A 97 -16.306 -10.256 12.896 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -15.739 -7.685 11.377 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -17.181 -8.639 11.092 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -16.803 -6.311 14.467 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -15.456 -6.568 13.354 1.00 0.00 H new ATOM 1486 N VAL A 98 -14.201 -10.158 10.384 1.00 0.00 N ATOM 1487 CA VAL A 98 -13.762 -10.866 9.188 1.00 0.00 C ATOM 1488 C VAL A 98 -13.713 -12.371 9.427 1.00 0.00 C ATOM 1489 O VAL A 98 -14.292 -13.149 8.670 1.00 0.00 O ATOM 1490 CB VAL A 98 -12.372 -10.385 8.729 1.00 0.00 C ATOM 1491 CG1 VAL A 98 -11.895 -11.194 7.533 1.00 0.00 C ATOM 1492 CG2 VAL A 98 -12.405 -8.900 8.400 1.00 0.00 C ATOM 0 H VAL A 98 -13.571 -9.417 10.691 1.00 0.00 H new ATOM 0 HA VAL A 98 -14.490 -10.648 8.407 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.666 -10.538 9.545 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -10.912 -10.840 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -11.832 -12.247 7.808 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -12.599 -11.076 6.710 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.415 -8.577 8.078 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -13.124 -8.720 7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -12.700 -8.338 9.286 1.00 0.00 H new ATOM 1502 N ASN A 99 -13.018 -12.774 10.485 1.00 0.00 N ATOM 1503 CA ASN A 99 -12.893 -14.187 10.825 1.00 0.00 C ATOM 1504 C ASN A 99 -14.267 -14.836 10.965 1.00 0.00 C ATOM 1505 O ASN A 99 -14.618 -15.745 10.211 1.00 0.00 O ATOM 1506 CB ASN A 99 -12.103 -14.353 12.124 1.00 0.00 C ATOM 1507 CG ASN A 99 -10.605 -14.276 11.904 1.00 0.00 C ATOM 1508 OD1 ASN A 99 -10.124 -14.410 10.778 1.00 0.00 O ATOM 1509 ND2 ASN A 99 -9.859 -14.059 12.981 1.00 0.00 N ATOM 0 H ASN A 99 -12.533 -12.142 11.122 1.00 0.00 H new ATOM 0 HA ASN A 99 -12.357 -14.684 10.016 1.00 0.00 H new ATOM 0 HB2 ASN A 99 -12.404 -13.579 12.830 1.00 0.00 H new ATOM 0 HB3 ASN A 99 -12.352 -15.313 12.577 1.00 0.00 H new ATOM 0 HD21 ASN A 99 -8.845 -13.997 12.895 1.00 0.00 H new ATOM 0 HD22 ASN A 99 -10.300 -13.954 13.894 1.00 0.00 H new ATOM 1516 N THR A 100 -15.042 -14.364 11.937 1.00 0.00 N ATOM 1517 CA THR A 100 -16.377 -14.897 12.177 1.00 0.00 C ATOM 1518 C THR A 100 -17.201 -14.916 10.895 1.00 0.00 C ATOM 1519 O THR A 100 -18.048 -15.789 10.702 1.00 0.00 O ATOM 1520 CB THR A 100 -17.127 -14.077 13.243 1.00 0.00 C ATOM 1521 OG1 THR A 100 -18.477 -14.540 13.359 1.00 0.00 O ATOM 1522 CG2 THR A 100 -17.121 -12.597 12.890 1.00 0.00 C ATOM 0 H THR A 100 -14.768 -13.613 12.571 1.00 0.00 H new ATOM 0 HA THR A 100 -16.248 -15.917 12.538 1.00 0.00 H new ATOM 0 HB THR A 100 -16.616 -14.209 14.197 1.00 0.00 H new ATOM 0 HG1 THR A 100 -18.946 -14.014 14.040 1.00 0.00 H new ATOM 0 HG21 THR A 100 -17.657 -12.038 13.657 1.00 0.00 H new ATOM 0 HG22 THR A 100 -16.092 -12.241 12.833 1.00 0.00 H new ATOM 0 HG23 THR A 100 -17.610 -12.451 11.927 1.00 0.00 H new ATOM 1530 N TYR A 101 -16.947 -13.950 10.020 1.00 0.00 N ATOM 1531 CA TYR A 101 -17.667 -13.854 8.756 1.00 0.00 C ATOM 1532 C TYR A 101 -17.296 -15.008 7.829 1.00 0.00 C ATOM 1533 O TYR A 101 -18.137 -15.840 7.486 1.00 0.00 O ATOM 1534 CB TYR A 101 -17.365 -12.520 8.072 1.00 0.00 C ATOM 1535 CG TYR A 101 -18.240 -12.244 6.870 1.00 0.00 C ATOM 1536 CD1 TYR A 101 -19.614 -12.089 7.006 1.00 0.00 C ATOM 1537 CD2 TYR A 101 -17.691 -12.138 5.597 1.00 0.00 C ATOM 1538 CE1 TYR A 101 -20.416 -11.837 5.910 1.00 0.00 C ATOM 1539 CE2 TYR A 101 -18.486 -11.885 4.496 1.00 0.00 C ATOM 1540 CZ TYR A 101 -19.848 -11.736 4.657 1.00 0.00 C ATOM 1541 OH TYR A 101 -20.644 -11.485 3.563 1.00 0.00 O ATOM 0 H TYR A 101 -16.247 -13.222 10.163 1.00 0.00 H new ATOM 0 HA TYR A 101 -18.734 -13.911 8.970 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -17.491 -11.714 8.795 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -16.320 -12.509 7.761 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -20.063 -12.167 7.985 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -16.625 -12.255 5.467 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -21.482 -11.720 6.033 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -18.044 -11.804 3.514 1.00 0.00 H new ATOM 0 HH TYR A 101 -20.088 -11.443 2.757 1.00 0.00 H new ATOM 1551 N PHE A 102 -16.030 -15.052 7.428 1.00 0.00 N ATOM 1552 CA PHE A 102 -15.546 -16.104 6.540 1.00 0.00 C ATOM 1553 C PHE A 102 -15.889 -17.483 7.094 1.00 0.00 C ATOM 1554 O PHE A 102 -16.024 -18.450 6.344 1.00 0.00 O ATOM 1555 CB PHE A 102 -14.033 -15.981 6.348 1.00 0.00 C ATOM 1556 CG PHE A 102 -13.642 -14.994 5.285 1.00 0.00 C ATOM 1557 CD1 PHE A 102 -13.948 -13.649 5.423 1.00 0.00 C ATOM 1558 CD2 PHE A 102 -12.970 -15.410 4.147 1.00 0.00 C ATOM 1559 CE1 PHE A 102 -13.590 -12.738 4.447 1.00 0.00 C ATOM 1560 CE2 PHE A 102 -12.609 -14.504 3.168 1.00 0.00 C ATOM 1561 CZ PHE A 102 -12.920 -13.167 3.318 1.00 0.00 C ATOM 0 H PHE A 102 -15.321 -14.372 7.703 1.00 0.00 H new ATOM 0 HA PHE A 102 -16.039 -15.987 5.575 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -13.578 -15.685 7.293 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -13.627 -16.959 6.091 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -14.472 -13.309 6.304 1.00 0.00 H new ATOM 0 HD2 PHE A 102 -12.725 -16.455 4.024 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -13.834 -11.693 4.567 1.00 0.00 H new ATOM 0 HE2 PHE A 102 -12.084 -14.841 2.286 1.00 0.00 H new ATOM 0 HZ PHE A 102 -12.640 -12.458 2.553 1.00 0.00 H new