USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 454 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 23 ASN : amide:sc= -7.97! C(o=-9.5!,f=-20!) USER MOD Set 1.2: A 73 ASN : amide:sc= -1.56 X(o=-9.5,f=-9.4) USER MOD Single : A 19 THR OG1 : rot 180:sc= -0.936 USER MOD Single : A 21 LYS NZ :NH3+ -153:sc= -0.0779 (180deg=-0.452) USER MOD Single : A 28 ASN : amide:sc= -5.24! C(o=-5.2!,f=-7.9!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.208 X(o=-0.21,f=-0.018) USER MOD Single : A 33 THR OG1 : rot 8:sc= 0.439! USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -177:sc= -2.24! USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 30:sc= -1.25 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot 72:sc= 1.07 USER MOD Single : A 55 LYS NZ :NH3+ -146:sc= -0.285 (180deg=-1.89!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 ASN : amide:sc= -1.39 X(o=-1.4,f=-1.5) USER MOD Single : A 61 TYR OH : rot 171:sc= -4.04! USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00472) USER MOD Single : A 70 TYR OH : rot 76:sc= -2.75! USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 159:sc= -0.0278 (180deg=-0.374) USER MOD ----------------------------------------------------------------- ATOM 252 N VAL A 18 -21.214 -5.296 -1.159 1.00 0.00 N ATOM 253 CA VAL A 18 -20.816 -4.238 -2.126 1.00 0.00 C ATOM 254 C VAL A 18 -19.446 -4.620 -2.673 1.00 0.00 C ATOM 255 O VAL A 18 -18.966 -5.712 -2.439 1.00 0.00 O ATOM 256 CB VAL A 18 -20.726 -2.871 -1.436 1.00 0.00 C ATOM 257 CG1 VAL A 18 -21.200 -1.781 -2.401 1.00 0.00 C ATOM 258 CG2 VAL A 18 -21.612 -2.859 -0.189 1.00 0.00 C ATOM 0 HA VAL A 18 -21.557 -4.162 -2.922 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.692 -2.684 -1.147 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -21.136 -0.809 -1.912 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -20.569 -1.782 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -22.233 -1.975 -2.690 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -21.544 -1.885 0.297 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -22.646 -3.050 -0.476 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.278 -3.633 0.502 1.00 0.00 H new ATOM 268 N THR A 19 -18.802 -3.751 -3.391 1.00 0.00 N ATOM 269 CA THR A 19 -17.463 -4.112 -3.923 1.00 0.00 C ATOM 270 C THR A 19 -16.694 -2.853 -4.306 1.00 0.00 C ATOM 271 O THR A 19 -16.971 -2.216 -5.302 1.00 0.00 O ATOM 272 CB THR A 19 -17.627 -5.014 -5.146 1.00 0.00 C ATOM 273 OG1 THR A 19 -18.881 -5.678 -5.079 1.00 0.00 O ATOM 274 CG2 THR A 19 -16.500 -6.049 -5.180 1.00 0.00 C ATOM 0 H THR A 19 -19.137 -2.818 -3.631 1.00 0.00 H new ATOM 0 HA THR A 19 -16.903 -4.644 -3.153 1.00 0.00 H new ATOM 0 HB THR A 19 -17.584 -4.407 -6.050 1.00 0.00 H new ATOM 0 HG1 THR A 19 -18.988 -6.256 -5.863 1.00 0.00 H new ATOM 0 HG21 THR A 19 -16.621 -6.690 -6.053 1.00 0.00 H new ATOM 0 HG22 THR A 19 -15.539 -5.538 -5.235 1.00 0.00 H new ATOM 0 HG23 THR A 19 -16.537 -6.657 -4.276 1.00 0.00 H new ATOM 282 N ILE A 20 -15.710 -2.507 -3.527 1.00 0.00 N ATOM 283 CA ILE A 20 -14.892 -1.310 -3.835 1.00 0.00 C ATOM 284 C ILE A 20 -13.547 -1.809 -4.356 1.00 0.00 C ATOM 285 O ILE A 20 -13.226 -2.974 -4.216 1.00 0.00 O ATOM 286 CB ILE A 20 -14.708 -0.498 -2.557 1.00 0.00 C ATOM 287 CG1 ILE A 20 -14.080 0.859 -2.876 1.00 0.00 C ATOM 288 CG2 ILE A 20 -13.802 -1.262 -1.604 1.00 0.00 C ATOM 289 CD1 ILE A 20 -14.824 1.948 -2.104 1.00 0.00 C ATOM 0 H ILE A 20 -15.437 -3.009 -2.682 1.00 0.00 H new ATOM 0 HA ILE A 20 -15.368 -0.673 -4.580 1.00 0.00 H new ATOM 0 HB ILE A 20 -15.682 -0.336 -2.095 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -13.025 0.859 -2.603 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -14.132 1.055 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -13.668 -0.685 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -14.255 -2.224 -1.364 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -12.833 -1.425 -2.076 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -14.381 2.919 -2.327 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -15.873 1.951 -2.399 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -14.749 1.752 -1.034 1.00 0.00 H new ATOM 301 N LYS A 21 -12.761 -0.980 -4.975 1.00 0.00 N ATOM 302 CA LYS A 21 -11.470 -1.495 -5.503 1.00 0.00 C ATOM 303 C LYS A 21 -10.356 -0.459 -5.380 1.00 0.00 C ATOM 304 O LYS A 21 -10.584 0.725 -5.230 1.00 0.00 O ATOM 305 CB LYS A 21 -11.645 -1.874 -6.973 1.00 0.00 C ATOM 306 CG LYS A 21 -11.238 -3.335 -7.173 1.00 0.00 C ATOM 307 CD LYS A 21 -11.889 -3.879 -8.447 1.00 0.00 C ATOM 308 CE LYS A 21 -11.031 -5.011 -9.015 1.00 0.00 C ATOM 309 NZ LYS A 21 -9.783 -4.442 -9.595 1.00 0.00 N ATOM 0 H LYS A 21 -12.948 0.010 -5.137 1.00 0.00 H new ATOM 0 HA LYS A 21 -11.186 -2.366 -4.913 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -12.682 -1.729 -7.276 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -11.035 -1.226 -7.602 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -10.153 -3.414 -7.244 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -11.545 -3.930 -6.313 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -12.893 -4.244 -8.228 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -11.993 -3.082 -9.184 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -10.787 -5.726 -8.230 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -11.586 -5.554 -9.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -9.433 -5.068 -10.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -9.982 -3.501 -9.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -9.061 -4.359 -8.851 1.00 0.00 H new ATOM 323 N ALA A 22 -9.147 -0.929 -5.463 1.00 0.00 N ATOM 324 CA ALA A 22 -7.958 -0.044 -5.378 1.00 0.00 C ATOM 325 C ALA A 22 -6.827 -0.735 -6.130 1.00 0.00 C ATOM 326 O ALA A 22 -7.027 -1.769 -6.736 1.00 0.00 O ATOM 327 CB ALA A 22 -7.561 0.152 -3.914 1.00 0.00 C ATOM 0 H ALA A 22 -8.928 -1.917 -5.590 1.00 0.00 H new ATOM 0 HA ALA A 22 -8.171 0.934 -5.809 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -6.688 0.802 -3.858 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -8.389 0.608 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -7.323 -0.814 -3.469 1.00 0.00 H new ATOM 333 N ASN A 23 -5.648 -0.194 -6.110 1.00 0.00 N ATOM 334 CA ASN A 23 -4.543 -0.865 -6.845 1.00 0.00 C ATOM 335 C ASN A 23 -3.197 -0.647 -6.151 1.00 0.00 C ATOM 336 O ASN A 23 -3.123 -0.179 -5.033 1.00 0.00 O ATOM 337 CB ASN A 23 -4.492 -0.339 -8.275 1.00 0.00 C ATOM 338 CG ASN A 23 -5.123 -1.345 -9.229 1.00 0.00 C ATOM 339 OD1 ASN A 23 -5.494 -2.431 -8.834 1.00 0.00 O ATOM 340 ND2 ASN A 23 -5.269 -1.021 -10.480 1.00 0.00 N ATOM 0 H ASN A 23 -5.400 0.669 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 23 -4.737 -1.937 -6.856 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -5.019 0.613 -8.339 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -3.458 -0.152 -8.565 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -5.696 -1.680 -11.131 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -4.957 -0.108 -10.810 1.00 0.00 H new ATOM 347 N LEU A 24 -2.135 -1.011 -6.818 1.00 0.00 N ATOM 348 CA LEU A 24 -0.775 -0.870 -6.229 1.00 0.00 C ATOM 349 C LEU A 24 0.257 -0.825 -7.360 1.00 0.00 C ATOM 350 O LEU A 24 1.012 -1.755 -7.555 1.00 0.00 O ATOM 351 CB LEU A 24 -0.488 -2.084 -5.348 1.00 0.00 C ATOM 352 CG LEU A 24 -1.348 -2.014 -4.091 1.00 0.00 C ATOM 353 CD1 LEU A 24 -1.049 -3.221 -3.215 1.00 0.00 C ATOM 354 CD2 LEU A 24 -1.014 -0.735 -3.321 1.00 0.00 C ATOM 0 H LEU A 24 -2.154 -1.405 -7.759 1.00 0.00 H new ATOM 0 HA LEU A 24 -0.720 0.044 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.700 -3.002 -5.896 1.00 0.00 H new ATOM 0 HB3 LEU A 24 0.568 -2.110 -5.078 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.403 -2.010 -4.366 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -1.661 -3.177 -2.314 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.277 -4.135 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.005 -3.217 -2.938 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.627 -0.681 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 24 0.040 -0.743 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -1.216 0.132 -3.950 1.00 0.00 H new ATOM 366 N ILE A 25 0.292 0.237 -8.118 1.00 0.00 N ATOM 367 CA ILE A 25 1.270 0.308 -9.243 1.00 0.00 C ATOM 368 C ILE A 25 2.656 0.668 -8.708 1.00 0.00 C ATOM 369 O ILE A 25 2.893 1.772 -8.266 1.00 0.00 O ATOM 370 CB ILE A 25 0.814 1.376 -10.239 1.00 0.00 C ATOM 371 CG1 ILE A 25 -0.322 0.821 -11.099 1.00 0.00 C ATOM 372 CG2 ILE A 25 1.984 1.768 -11.147 1.00 0.00 C ATOM 373 CD1 ILE A 25 -1.457 0.331 -10.198 1.00 0.00 C ATOM 0 H ILE A 25 -0.309 1.054 -8.009 1.00 0.00 H new ATOM 0 HA ILE A 25 1.321 -0.662 -9.738 1.00 0.00 H new ATOM 0 HB ILE A 25 0.467 2.252 -9.691 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -0.689 1.592 -11.776 1.00 0.00 H new ATOM 0 HG13 ILE A 25 0.044 0.002 -11.718 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.656 2.529 -11.855 1.00 0.00 H new ATOM 0 HG22 ILE A 25 2.798 2.164 -10.540 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.331 0.890 -11.692 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -2.265 -0.064 -10.813 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.086 -0.454 -9.539 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.830 1.161 -9.598 1.00 0.00 H new ATOM 385 N PHE A 26 3.579 -0.249 -8.764 1.00 0.00 N ATOM 386 CA PHE A 26 4.950 0.053 -8.270 1.00 0.00 C ATOM 387 C PHE A 26 5.848 0.435 -9.441 1.00 0.00 C ATOM 388 O PHE A 26 5.530 0.215 -10.592 1.00 0.00 O ATOM 389 CB PHE A 26 5.541 -1.163 -7.580 1.00 0.00 C ATOM 390 CG PHE A 26 4.794 -1.448 -6.299 1.00 0.00 C ATOM 391 CD1 PHE A 26 4.621 -0.436 -5.347 1.00 0.00 C ATOM 392 CD2 PHE A 26 4.273 -2.727 -6.062 1.00 0.00 C ATOM 393 CE1 PHE A 26 3.930 -0.701 -4.159 1.00 0.00 C ATOM 394 CE2 PHE A 26 3.582 -2.992 -4.874 1.00 0.00 C ATOM 395 CZ PHE A 26 3.410 -1.980 -3.923 1.00 0.00 C ATOM 0 H PHE A 26 3.445 -1.192 -9.129 1.00 0.00 H new ATOM 0 HA PHE A 26 4.887 0.879 -7.562 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.487 -2.028 -8.241 1.00 0.00 H new ATOM 0 HB3 PHE A 26 6.596 -0.992 -7.364 1.00 0.00 H new ATOM 0 HD1 PHE A 26 5.021 0.550 -5.530 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.405 -3.508 -6.796 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.798 0.080 -3.425 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.181 -3.978 -4.691 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.876 -2.185 -3.007 1.00 0.00 H new ATOM 405 N ALA A 27 6.975 0.999 -9.137 1.00 0.00 N ATOM 406 CA ALA A 27 7.934 1.404 -10.201 1.00 0.00 C ATOM 407 C ALA A 27 8.782 0.199 -10.610 1.00 0.00 C ATOM 408 O ALA A 27 9.419 0.196 -11.645 1.00 0.00 O ATOM 409 CB ALA A 27 8.844 2.511 -9.667 1.00 0.00 C ATOM 0 H ALA A 27 7.280 1.201 -8.185 1.00 0.00 H new ATOM 0 HA ALA A 27 7.384 1.770 -11.068 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.548 2.810 -10.444 1.00 0.00 H new ATOM 0 HB2 ALA A 27 8.239 3.370 -9.375 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.394 2.143 -8.801 1.00 0.00 H new ATOM 415 N ASN A 28 8.809 -0.816 -9.790 1.00 0.00 N ATOM 416 CA ASN A 28 9.629 -2.017 -10.107 1.00 0.00 C ATOM 417 C ASN A 28 8.845 -2.963 -11.019 1.00 0.00 C ATOM 418 O ASN A 28 8.768 -4.151 -10.774 1.00 0.00 O ATOM 419 CB ASN A 28 9.998 -2.742 -8.808 1.00 0.00 C ATOM 420 CG ASN A 28 8.839 -2.667 -7.810 1.00 0.00 C ATOM 421 OD1 ASN A 28 8.000 -3.545 -7.771 1.00 0.00 O ATOM 422 ND2 ASN A 28 8.758 -1.650 -6.994 1.00 0.00 N ATOM 0 H ASN A 28 8.295 -0.864 -8.910 1.00 0.00 H new ATOM 0 HA ASN A 28 10.538 -1.703 -10.620 1.00 0.00 H new ATOM 0 HB2 ASN A 28 10.237 -3.784 -9.020 1.00 0.00 H new ATOM 0 HB3 ASN A 28 10.891 -2.292 -8.373 1.00 0.00 H new ATOM 0 HD21 ASN A 28 7.991 -1.593 -6.324 1.00 0.00 H new ATOM 0 HD22 ASN A 28 9.462 -0.913 -7.026 1.00 0.00 H new ATOM 429 N GLY A 29 8.273 -2.450 -12.075 1.00 0.00 N ATOM 430 CA GLY A 29 7.501 -3.319 -13.011 1.00 0.00 C ATOM 431 C GLY A 29 6.659 -4.320 -12.220 1.00 0.00 C ATOM 432 O GLY A 29 6.343 -5.392 -12.697 1.00 0.00 O ATOM 0 H GLY A 29 8.307 -1.463 -12.331 1.00 0.00 H new ATOM 0 HA2 GLY A 29 6.856 -2.706 -13.641 1.00 0.00 H new ATOM 0 HA3 GLY A 29 8.184 -3.850 -13.675 1.00 0.00 H new ATOM 436 N SER A 30 6.286 -3.981 -11.018 1.00 0.00 N ATOM 437 CA SER A 30 5.459 -4.916 -10.208 1.00 0.00 C ATOM 438 C SER A 30 4.161 -4.216 -9.820 1.00 0.00 C ATOM 439 O SER A 30 4.110 -3.463 -8.869 1.00 0.00 O ATOM 440 CB SER A 30 6.221 -5.316 -8.946 1.00 0.00 C ATOM 441 OG SER A 30 6.073 -6.713 -8.729 1.00 0.00 O ATOM 0 H SER A 30 6.518 -3.098 -10.562 1.00 0.00 H new ATOM 0 HA SER A 30 5.238 -5.811 -10.790 1.00 0.00 H new ATOM 0 HB2 SER A 30 7.276 -5.062 -9.049 1.00 0.00 H new ATOM 0 HB3 SER A 30 5.842 -4.761 -8.088 1.00 0.00 H new ATOM 0 HG SER A 30 6.563 -6.972 -7.921 1.00 0.00 H new ATOM 447 N THR A 31 3.110 -4.446 -10.553 1.00 0.00 N ATOM 448 CA THR A 31 1.823 -3.777 -10.226 1.00 0.00 C ATOM 449 C THR A 31 0.824 -4.803 -9.683 1.00 0.00 C ATOM 450 O THR A 31 0.648 -5.871 -10.237 1.00 0.00 O ATOM 451 CB THR A 31 1.252 -3.130 -11.491 1.00 0.00 C ATOM 452 OG1 THR A 31 1.107 -4.119 -12.500 1.00 0.00 O ATOM 453 CG2 THR A 31 2.199 -2.033 -11.980 1.00 0.00 C ATOM 0 H THR A 31 3.086 -5.067 -11.362 1.00 0.00 H new ATOM 0 HA THR A 31 1.998 -3.013 -9.468 1.00 0.00 H new ATOM 0 HB THR A 31 0.279 -2.691 -11.268 1.00 0.00 H new ATOM 0 HG1 THR A 31 0.740 -3.708 -13.310 1.00 0.00 H new ATOM 0 HG21 THR A 31 1.790 -1.574 -12.880 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.309 -1.275 -11.204 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.173 -2.467 -12.204 1.00 0.00 H new ATOM 461 N GLN A 32 0.163 -4.477 -8.607 1.00 0.00 N ATOM 462 CA GLN A 32 -0.838 -5.412 -8.021 1.00 0.00 C ATOM 463 C GLN A 32 -2.133 -4.641 -7.778 1.00 0.00 C ATOM 464 O GLN A 32 -2.128 -3.434 -7.675 1.00 0.00 O ATOM 465 CB GLN A 32 -0.316 -5.963 -6.693 1.00 0.00 C ATOM 466 CG GLN A 32 -0.421 -7.489 -6.692 1.00 0.00 C ATOM 467 CD GLN A 32 0.636 -8.071 -5.748 1.00 0.00 C ATOM 468 OE1 GLN A 32 0.312 -8.803 -4.836 1.00 0.00 O ATOM 469 NE2 GLN A 32 1.894 -7.772 -5.932 1.00 0.00 N ATOM 0 H GLN A 32 0.274 -3.596 -8.105 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.015 -6.243 -8.703 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.720 -5.660 -6.545 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.891 -5.549 -5.865 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.417 -7.796 -6.374 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.276 -7.875 -7.701 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.165 -7.157 -6.699 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.605 -8.154 -5.309 1.00 0.00 H new ATOM 478 N THR A 33 -3.240 -5.316 -7.698 1.00 0.00 N ATOM 479 CA THR A 33 -4.524 -4.602 -7.480 1.00 0.00 C ATOM 480 C THR A 33 -5.124 -5.001 -6.127 1.00 0.00 C ATOM 481 O THR A 33 -5.295 -6.168 -5.833 1.00 0.00 O ATOM 482 CB THR A 33 -5.490 -4.994 -8.597 1.00 0.00 C ATOM 483 OG1 THR A 33 -5.925 -6.333 -8.396 1.00 0.00 O ATOM 484 CG2 THR A 33 -4.780 -4.885 -9.946 1.00 0.00 C ATOM 0 H THR A 33 -3.312 -6.331 -7.774 1.00 0.00 H new ATOM 0 HA THR A 33 -4.352 -3.526 -7.485 1.00 0.00 H new ATOM 0 HB THR A 33 -6.351 -4.326 -8.586 1.00 0.00 H new ATOM 0 HG1 THR A 33 -5.603 -6.655 -7.528 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.469 -5.165 -10.743 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.445 -3.859 -10.099 1.00 0.00 H new ATOM 0 HG23 THR A 33 -3.919 -5.554 -9.959 1.00 0.00 H new ATOM 492 N ALA A 34 -5.456 -4.040 -5.305 1.00 0.00 N ATOM 493 CA ALA A 34 -6.058 -4.363 -3.979 1.00 0.00 C ATOM 494 C ALA A 34 -7.581 -4.273 -4.095 1.00 0.00 C ATOM 495 O ALA A 34 -8.100 -3.636 -4.987 1.00 0.00 O ATOM 496 CB ALA A 34 -5.562 -3.363 -2.933 1.00 0.00 C ATOM 0 H ALA A 34 -5.336 -3.045 -5.495 1.00 0.00 H new ATOM 0 HA ALA A 34 -5.768 -5.369 -3.675 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -6.003 -3.600 -1.965 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -4.476 -3.420 -2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -5.853 -2.355 -3.227 1.00 0.00 H new ATOM 502 N GLU A 35 -8.306 -4.912 -3.218 1.00 0.00 N ATOM 503 CA GLU A 35 -9.790 -4.851 -3.316 1.00 0.00 C ATOM 504 C GLU A 35 -10.437 -5.248 -1.985 1.00 0.00 C ATOM 505 O GLU A 35 -10.062 -6.227 -1.370 1.00 0.00 O ATOM 506 CB GLU A 35 -10.255 -5.817 -4.404 1.00 0.00 C ATOM 507 CG GLU A 35 -9.342 -7.046 -4.419 1.00 0.00 C ATOM 508 CD GLU A 35 -10.145 -8.276 -4.842 1.00 0.00 C ATOM 509 OE1 GLU A 35 -11.327 -8.127 -5.102 1.00 0.00 O ATOM 510 OE2 GLU A 35 -9.564 -9.347 -4.899 1.00 0.00 O ATOM 0 H GLU A 35 -7.939 -5.468 -2.446 1.00 0.00 H new ATOM 0 HA GLU A 35 -10.086 -3.830 -3.559 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -11.286 -6.119 -4.221 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -10.235 -5.324 -5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.512 -6.887 -5.107 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -8.911 -7.203 -3.430 1.00 0.00 H new ATOM 517 N PHE A 36 -11.427 -4.511 -1.552 1.00 0.00 N ATOM 518 CA PHE A 36 -12.122 -4.858 -0.286 1.00 0.00 C ATOM 519 C PHE A 36 -13.626 -4.703 -0.510 1.00 0.00 C ATOM 520 O PHE A 36 -14.136 -3.606 -0.615 1.00 0.00 O ATOM 521 CB PHE A 36 -11.681 -3.941 0.855 1.00 0.00 C ATOM 522 CG PHE A 36 -10.543 -3.035 0.433 1.00 0.00 C ATOM 523 CD1 PHE A 36 -10.740 -2.085 -0.570 1.00 0.00 C ATOM 524 CD2 PHE A 36 -9.296 -3.137 1.063 1.00 0.00 C ATOM 525 CE1 PHE A 36 -9.697 -1.234 -0.951 1.00 0.00 C ATOM 526 CE2 PHE A 36 -8.249 -2.285 0.687 1.00 0.00 C ATOM 527 CZ PHE A 36 -8.447 -1.332 -0.319 1.00 0.00 C ATOM 0 H PHE A 36 -11.782 -3.681 -2.026 1.00 0.00 H new ATOM 0 HA PHE A 36 -11.873 -5.882 -0.009 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -12.526 -3.336 1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.370 -4.544 1.708 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -11.702 -2.006 -1.054 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.142 -3.872 1.839 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -9.853 -0.503 -1.730 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.288 -2.364 1.174 1.00 0.00 H new ATOM 0 HZ PHE A 36 -7.641 -0.674 -0.608 1.00 0.00 H new ATOM 537 N LYS A 37 -14.343 -5.789 -0.601 1.00 0.00 N ATOM 538 CA LYS A 37 -15.813 -5.682 -0.839 1.00 0.00 C ATOM 539 C LYS A 37 -16.519 -5.351 0.474 1.00 0.00 C ATOM 540 O LYS A 37 -15.971 -5.517 1.546 1.00 0.00 O ATOM 541 CB LYS A 37 -16.374 -6.999 -1.396 1.00 0.00 C ATOM 542 CG LYS A 37 -15.248 -7.864 -1.971 1.00 0.00 C ATOM 543 CD LYS A 37 -14.790 -8.869 -0.913 1.00 0.00 C ATOM 544 CE LYS A 37 -15.549 -10.185 -1.095 1.00 0.00 C ATOM 545 NZ LYS A 37 -15.779 -10.816 0.236 1.00 0.00 N ATOM 0 H LYS A 37 -13.980 -6.739 -0.522 1.00 0.00 H new ATOM 0 HA LYS A 37 -15.987 -4.891 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -16.891 -7.544 -0.606 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -17.110 -6.788 -2.172 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -15.596 -8.389 -2.861 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -14.412 -7.236 -2.278 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -13.717 -9.041 -1.000 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -14.969 -8.469 0.085 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -16.502 -10.002 -1.592 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -14.980 -10.859 -1.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -16.295 -11.710 0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -14.864 -11.005 0.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -16.339 -10.174 0.833 1.00 0.00 H new ATOM 559 N GLY A 38 -17.731 -4.875 0.397 1.00 0.00 N ATOM 560 CA GLY A 38 -18.471 -4.525 1.644 1.00 0.00 C ATOM 561 C GLY A 38 -18.104 -3.100 2.062 1.00 0.00 C ATOM 562 O GLY A 38 -17.023 -2.622 1.780 1.00 0.00 O ATOM 0 H GLY A 38 -18.240 -4.713 -0.472 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.545 -4.603 1.478 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.220 -5.226 2.440 1.00 0.00 H new ATOM 566 N THR A 39 -18.993 -2.412 2.727 1.00 0.00 N ATOM 567 CA THR A 39 -18.683 -1.017 3.144 1.00 0.00 C ATOM 568 C THR A 39 -18.476 -0.178 1.876 1.00 0.00 C ATOM 569 O THR A 39 -17.674 -0.516 1.029 1.00 0.00 O ATOM 570 CB THR A 39 -17.419 -1.031 4.031 1.00 0.00 C ATOM 571 OG1 THR A 39 -17.693 -0.343 5.243 1.00 0.00 O ATOM 572 CG2 THR A 39 -16.228 -0.365 3.327 1.00 0.00 C ATOM 0 H THR A 39 -19.915 -2.754 2.998 1.00 0.00 H new ATOM 0 HA THR A 39 -19.496 -0.581 3.725 1.00 0.00 H new ATOM 0 HB THR A 39 -17.155 -2.069 4.232 1.00 0.00 H new ATOM 0 HG1 THR A 39 -16.894 -0.350 5.811 1.00 0.00 H new ATOM 0 HG21 THR A 39 -15.356 -0.393 3.981 1.00 0.00 H new ATOM 0 HG22 THR A 39 -16.006 -0.899 2.403 1.00 0.00 H new ATOM 0 HG23 THR A 39 -16.475 0.671 3.096 1.00 0.00 H new ATOM 580 N PHE A 40 -19.198 0.898 1.720 1.00 0.00 N ATOM 581 CA PHE A 40 -19.021 1.707 0.484 1.00 0.00 C ATOM 582 C PHE A 40 -17.789 2.603 0.597 1.00 0.00 C ATOM 583 O PHE A 40 -16.675 2.161 0.400 1.00 0.00 O ATOM 584 CB PHE A 40 -20.269 2.548 0.204 1.00 0.00 C ATOM 585 CG PHE A 40 -20.095 3.246 -1.130 1.00 0.00 C ATOM 586 CD1 PHE A 40 -20.257 2.521 -2.318 1.00 0.00 C ATOM 587 CD2 PHE A 40 -19.752 4.605 -1.182 1.00 0.00 C ATOM 588 CE1 PHE A 40 -20.079 3.154 -3.556 1.00 0.00 C ATOM 589 CE2 PHE A 40 -19.570 5.233 -2.419 1.00 0.00 C ATOM 590 CZ PHE A 40 -19.732 4.511 -3.605 1.00 0.00 C ATOM 0 H PHE A 40 -19.891 1.246 2.383 1.00 0.00 H new ATOM 0 HA PHE A 40 -18.873 1.022 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -21.156 1.914 0.186 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -20.417 3.281 0.997 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -20.519 1.474 -2.280 1.00 0.00 H new ATOM 0 HD2 PHE A 40 -19.628 5.166 -0.268 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -20.209 2.596 -4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -19.304 6.279 -2.458 1.00 0.00 H new ATOM 0 HZ PHE A 40 -19.590 4.998 -4.558 1.00 0.00 H new ATOM 600 N GLU A 41 -17.970 3.858 0.892 1.00 0.00 N ATOM 601 CA GLU A 41 -16.802 4.768 0.988 1.00 0.00 C ATOM 602 C GLU A 41 -15.950 4.394 2.200 1.00 0.00 C ATOM 603 O GLU A 41 -14.813 4.804 2.318 1.00 0.00 O ATOM 604 CB GLU A 41 -17.300 6.204 1.104 1.00 0.00 C ATOM 605 CG GLU A 41 -16.127 7.171 0.939 1.00 0.00 C ATOM 606 CD GLU A 41 -16.338 8.389 1.841 1.00 0.00 C ATOM 607 OE1 GLU A 41 -17.329 8.409 2.553 1.00 0.00 O ATOM 608 OE2 GLU A 41 -15.506 9.281 1.804 1.00 0.00 O ATOM 0 H GLU A 41 -18.876 4.291 1.070 1.00 0.00 H new ATOM 0 HA GLU A 41 -16.184 4.675 0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -18.055 6.400 0.343 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -17.776 6.357 2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -15.192 6.673 1.196 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -16.045 7.486 -0.101 1.00 0.00 H new ATOM 615 N LYS A 42 -16.478 3.607 3.095 1.00 0.00 N ATOM 616 CA LYS A 42 -15.676 3.202 4.274 1.00 0.00 C ATOM 617 C LYS A 42 -14.440 2.449 3.776 1.00 0.00 C ATOM 618 O LYS A 42 -13.415 2.414 4.427 1.00 0.00 O ATOM 619 CB LYS A 42 -16.509 2.295 5.185 1.00 0.00 C ATOM 620 CG LYS A 42 -17.602 3.122 5.868 1.00 0.00 C ATOM 621 CD LYS A 42 -17.166 3.480 7.291 1.00 0.00 C ATOM 622 CE LYS A 42 -18.199 4.420 7.914 1.00 0.00 C ATOM 623 NZ LYS A 42 -19.107 3.642 8.803 1.00 0.00 N ATOM 0 H LYS A 42 -17.425 3.230 3.059 1.00 0.00 H new ATOM 0 HA LYS A 42 -15.375 4.081 4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -16.958 1.490 4.603 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -15.870 1.828 5.934 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -17.794 4.030 5.297 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -18.535 2.559 5.894 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -17.070 2.576 7.893 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -16.186 3.957 7.274 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -17.697 5.202 8.484 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -18.775 4.915 7.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -19.810 4.281 9.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -19.595 2.911 8.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -18.551 3.190 9.557 1.00 0.00 H new ATOM 637 N ALA A 43 -14.534 1.854 2.613 1.00 0.00 N ATOM 638 CA ALA A 43 -13.373 1.113 2.049 1.00 0.00 C ATOM 639 C ALA A 43 -12.478 2.093 1.295 1.00 0.00 C ATOM 640 O ALA A 43 -11.309 1.847 1.099 1.00 0.00 O ATOM 641 CB ALA A 43 -13.865 0.023 1.095 1.00 0.00 C ATOM 0 H ALA A 43 -15.371 1.852 2.030 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.810 0.646 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.010 -0.515 0.686 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.506 -0.672 1.637 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.430 0.479 0.282 1.00 0.00 H new ATOM 647 N THR A 44 -13.012 3.208 0.874 1.00 0.00 N ATOM 648 CA THR A 44 -12.168 4.202 0.149 1.00 0.00 C ATOM 649 C THR A 44 -11.037 4.657 1.073 1.00 0.00 C ATOM 650 O THR A 44 -9.914 4.849 0.651 1.00 0.00 O ATOM 651 CB THR A 44 -13.016 5.410 -0.245 1.00 0.00 C ATOM 652 OG1 THR A 44 -14.301 4.970 -0.653 1.00 0.00 O ATOM 653 CG2 THR A 44 -12.343 6.154 -1.396 1.00 0.00 C ATOM 0 H THR A 44 -13.989 3.473 0.999 1.00 0.00 H new ATOM 0 HA THR A 44 -11.755 3.746 -0.751 1.00 0.00 H new ATOM 0 HB THR A 44 -13.114 6.079 0.610 1.00 0.00 H new ATOM 0 HG1 THR A 44 -14.831 5.739 -0.950 1.00 0.00 H new ATOM 0 HG21 THR A 44 -12.949 7.016 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 44 -11.355 6.492 -1.083 1.00 0.00 H new ATOM 0 HG23 THR A 44 -12.244 5.487 -2.252 1.00 0.00 H new ATOM 661 N SER A 45 -11.328 4.826 2.334 1.00 0.00 N ATOM 662 CA SER A 45 -10.277 5.261 3.298 1.00 0.00 C ATOM 663 C SER A 45 -9.431 4.053 3.699 1.00 0.00 C ATOM 664 O SER A 45 -8.232 4.152 3.855 1.00 0.00 O ATOM 665 CB SER A 45 -10.941 5.857 4.539 1.00 0.00 C ATOM 666 OG SER A 45 -11.311 7.203 4.272 1.00 0.00 O ATOM 0 H SER A 45 -12.252 4.681 2.740 1.00 0.00 H new ATOM 0 HA SER A 45 -9.640 6.014 2.833 1.00 0.00 H new ATOM 0 HB2 SER A 45 -11.820 5.273 4.811 1.00 0.00 H new ATOM 0 HB3 SER A 45 -10.257 5.817 5.387 1.00 0.00 H new ATOM 0 HG SER A 45 -11.739 7.588 5.065 1.00 0.00 H new ATOM 672 N GLU A 46 -10.040 2.910 3.862 1.00 0.00 N ATOM 673 CA GLU A 46 -9.258 1.700 4.243 1.00 0.00 C ATOM 674 C GLU A 46 -8.314 1.338 3.096 1.00 0.00 C ATOM 675 O GLU A 46 -7.288 0.717 3.290 1.00 0.00 O ATOM 676 CB GLU A 46 -10.208 0.538 4.514 1.00 0.00 C ATOM 677 CG GLU A 46 -10.147 0.163 5.995 1.00 0.00 C ATOM 678 CD GLU A 46 -11.567 0.059 6.555 1.00 0.00 C ATOM 679 OE1 GLU A 46 -12.384 -0.596 5.927 1.00 0.00 O ATOM 680 OE2 GLU A 46 -11.814 0.636 7.601 1.00 0.00 O ATOM 0 H GLU A 46 -11.043 2.762 3.748 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.681 1.903 5.145 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -11.226 0.815 4.240 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -9.935 -0.320 3.899 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.625 -0.786 6.119 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.581 0.913 6.548 1.00 0.00 H new ATOM 687 N ALA A 47 -8.651 1.739 1.905 1.00 0.00 N ATOM 688 CA ALA A 47 -7.782 1.445 0.735 1.00 0.00 C ATOM 689 C ALA A 47 -6.658 2.474 0.712 1.00 0.00 C ATOM 690 O ALA A 47 -5.503 2.157 0.510 1.00 0.00 O ATOM 691 CB ALA A 47 -8.604 1.547 -0.552 1.00 0.00 C ATOM 0 H ALA A 47 -9.499 2.263 1.690 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.371 0.438 0.809 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.966 1.331 -1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -9.423 0.828 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -9.009 2.554 -0.646 1.00 0.00 H new ATOM 697 N TYR A 48 -7.001 3.710 0.938 1.00 0.00 N ATOM 698 CA TYR A 48 -5.980 4.781 0.959 1.00 0.00 C ATOM 699 C TYR A 48 -4.939 4.431 2.016 1.00 0.00 C ATOM 700 O TYR A 48 -3.755 4.649 1.844 1.00 0.00 O ATOM 701 CB TYR A 48 -6.669 6.094 1.312 1.00 0.00 C ATOM 702 CG TYR A 48 -6.080 7.217 0.500 1.00 0.00 C ATOM 703 CD1 TYR A 48 -4.695 7.403 0.459 1.00 0.00 C ATOM 704 CD2 TYR A 48 -6.926 8.074 -0.210 1.00 0.00 C ATOM 705 CE1 TYR A 48 -4.152 8.451 -0.295 1.00 0.00 C ATOM 706 CE2 TYR A 48 -6.386 9.121 -0.964 1.00 0.00 C ATOM 707 CZ TYR A 48 -4.998 9.311 -1.006 1.00 0.00 C ATOM 708 OH TYR A 48 -4.462 10.347 -1.747 1.00 0.00 O ATOM 0 H TYR A 48 -7.956 4.023 1.110 1.00 0.00 H new ATOM 0 HA TYR A 48 -5.491 4.879 -0.010 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -7.739 6.017 1.119 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -6.551 6.302 2.375 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -4.044 6.739 1.008 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.996 7.928 -0.176 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -3.082 8.596 -0.328 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -7.039 9.783 -1.514 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.571 10.093 -2.068 1.00 0.00 H new ATOM 718 N ALA A 49 -5.383 3.864 3.095 1.00 0.00 N ATOM 719 CA ALA A 49 -4.447 3.455 4.173 1.00 0.00 C ATOM 720 C ALA A 49 -3.823 2.121 3.772 1.00 0.00 C ATOM 721 O ALA A 49 -2.764 1.751 4.231 1.00 0.00 O ATOM 722 CB ALA A 49 -5.211 3.298 5.490 1.00 0.00 C ATOM 0 H ALA A 49 -6.366 3.663 3.280 1.00 0.00 H new ATOM 0 HA ALA A 49 -3.672 4.209 4.311 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -4.520 2.998 6.278 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -5.675 4.247 5.757 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -5.983 2.537 5.375 1.00 0.00 H new ATOM 728 N TYR A 50 -4.482 1.401 2.901 1.00 0.00 N ATOM 729 CA TYR A 50 -3.948 0.092 2.436 1.00 0.00 C ATOM 730 C TYR A 50 -2.617 0.329 1.720 1.00 0.00 C ATOM 731 O TYR A 50 -1.639 -0.353 1.952 1.00 0.00 O ATOM 732 CB TYR A 50 -4.955 -0.520 1.460 1.00 0.00 C ATOM 733 CG TYR A 50 -4.705 -1.999 1.314 1.00 0.00 C ATOM 734 CD1 TYR A 50 -4.455 -2.783 2.443 1.00 0.00 C ATOM 735 CD2 TYR A 50 -4.732 -2.587 0.045 1.00 0.00 C ATOM 736 CE1 TYR A 50 -4.227 -4.157 2.304 1.00 0.00 C ATOM 737 CE2 TYR A 50 -4.506 -3.959 -0.097 1.00 0.00 C ATOM 738 CZ TYR A 50 -4.253 -4.746 1.033 1.00 0.00 C ATOM 739 OH TYR A 50 -4.027 -6.102 0.895 1.00 0.00 O ATOM 0 H TYR A 50 -5.376 1.669 2.490 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.792 -0.582 3.279 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -5.970 -0.349 1.818 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -4.874 -0.032 0.489 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -4.438 -2.329 3.423 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.928 -1.980 -0.826 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.031 -4.763 3.176 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -4.527 -4.412 -1.077 1.00 0.00 H new ATOM 0 HH TYR A 50 -4.082 -6.348 -0.052 1.00 0.00 H new ATOM 749 N ALA A 51 -2.584 1.300 0.851 1.00 0.00 N ATOM 750 CA ALA A 51 -1.334 1.613 0.102 1.00 0.00 C ATOM 751 C ALA A 51 -0.318 2.283 1.036 1.00 0.00 C ATOM 752 O ALA A 51 0.843 2.418 0.704 1.00 0.00 O ATOM 753 CB ALA A 51 -1.674 2.561 -1.050 1.00 0.00 C ATOM 0 H ALA A 51 -3.379 1.897 0.625 1.00 0.00 H new ATOM 0 HA ALA A 51 -0.900 0.692 -0.288 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -0.767 2.798 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.393 2.082 -1.715 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.105 3.479 -0.651 1.00 0.00 H new ATOM 759 N ASP A 52 -0.741 2.709 2.196 1.00 0.00 N ATOM 760 CA ASP A 52 0.209 3.379 3.136 1.00 0.00 C ATOM 761 C ASP A 52 0.803 2.355 4.110 1.00 0.00 C ATOM 762 O ASP A 52 1.896 2.528 4.612 1.00 0.00 O ATOM 763 CB ASP A 52 -0.533 4.455 3.928 1.00 0.00 C ATOM 764 CG ASP A 52 0.430 5.596 4.266 1.00 0.00 C ATOM 765 OD1 ASP A 52 0.555 6.499 3.455 1.00 0.00 O ATOM 766 OD2 ASP A 52 1.023 5.547 5.330 1.00 0.00 O ATOM 0 H ASP A 52 -1.700 2.623 2.534 1.00 0.00 H new ATOM 0 HA ASP A 52 1.015 3.832 2.559 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -1.374 4.835 3.347 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -0.944 4.029 4.843 1.00 0.00 H new ATOM 771 N THR A 53 0.092 1.296 4.388 1.00 0.00 N ATOM 772 CA THR A 53 0.621 0.271 5.334 1.00 0.00 C ATOM 773 C THR A 53 1.606 -0.642 4.602 1.00 0.00 C ATOM 774 O THR A 53 2.071 -1.628 5.140 1.00 0.00 O ATOM 775 CB THR A 53 -0.541 -0.559 5.886 1.00 0.00 C ATOM 776 OG1 THR A 53 -1.583 0.315 6.297 1.00 0.00 O ATOM 777 CG2 THR A 53 -0.062 -1.384 7.083 1.00 0.00 C ATOM 0 H THR A 53 -0.831 1.096 4.002 1.00 0.00 H new ATOM 0 HA THR A 53 1.135 0.766 6.158 1.00 0.00 H new ATOM 0 HB THR A 53 -0.910 -1.232 5.112 1.00 0.00 H new ATOM 0 HG1 THR A 53 -2.019 0.699 5.507 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.891 -1.974 7.474 1.00 0.00 H new ATOM 0 HG22 THR A 53 0.740 -2.051 6.768 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.306 -0.716 7.861 1.00 0.00 H new ATOM 785 N LEU A 54 1.934 -0.321 3.379 1.00 0.00 N ATOM 786 CA LEU A 54 2.894 -1.168 2.622 1.00 0.00 C ATOM 787 C LEU A 54 4.319 -0.712 2.934 1.00 0.00 C ATOM 788 O LEU A 54 5.135 -1.484 3.396 1.00 0.00 O ATOM 789 CB LEU A 54 2.619 -1.034 1.123 1.00 0.00 C ATOM 790 CG LEU A 54 1.650 -2.134 0.685 1.00 0.00 C ATOM 791 CD1 LEU A 54 1.188 -1.867 -0.749 1.00 0.00 C ATOM 792 CD2 LEU A 54 2.358 -3.490 0.751 1.00 0.00 C ATOM 0 H LEU A 54 1.578 0.491 2.874 1.00 0.00 H new ATOM 0 HA LEU A 54 2.777 -2.212 2.913 1.00 0.00 H new ATOM 0 HB2 LEU A 54 2.196 -0.053 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 54 3.551 -1.110 0.563 1.00 0.00 H new ATOM 0 HG LEU A 54 0.785 -2.143 1.348 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.498 -2.651 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.685 -0.901 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 54 2.052 -1.859 -1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.670 -4.275 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.223 -3.481 0.088 1.00 0.00 H new ATOM 0 HD23 LEU A 54 2.686 -3.680 1.773 1.00 0.00 H new ATOM 804 N LYS A 55 4.616 0.540 2.689 1.00 0.00 N ATOM 805 CA LYS A 55 5.984 1.072 2.968 1.00 0.00 C ATOM 806 C LYS A 55 7.036 0.002 2.668 1.00 0.00 C ATOM 807 O LYS A 55 8.065 -0.069 3.308 1.00 0.00 O ATOM 808 CB LYS A 55 6.091 1.499 4.437 1.00 0.00 C ATOM 809 CG LYS A 55 5.913 0.284 5.352 1.00 0.00 C ATOM 810 CD LYS A 55 4.426 0.081 5.650 1.00 0.00 C ATOM 811 CE LYS A 55 4.198 0.113 7.164 1.00 0.00 C ATOM 812 NZ LYS A 55 5.189 -0.774 7.834 1.00 0.00 N ATOM 0 H LYS A 55 3.962 1.222 2.304 1.00 0.00 H new ATOM 0 HA LYS A 55 6.160 1.937 2.328 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.060 1.963 4.619 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.332 2.248 4.662 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.324 -0.606 4.876 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.464 0.432 6.281 1.00 0.00 H new ATOM 0 HD2 LYS A 55 3.838 0.861 5.167 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.089 -0.872 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 55 4.297 1.133 7.536 1.00 0.00 H new ATOM 0 HE3 LYS A 55 3.185 -0.215 7.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.753 -1.213 8.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.494 -1.516 7.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.014 -0.213 8.129 1.00 0.00 H new ATOM 826 N LYS A 56 6.788 -0.824 1.686 1.00 0.00 N ATOM 827 CA LYS A 56 7.772 -1.886 1.327 1.00 0.00 C ATOM 828 C LYS A 56 8.867 -1.288 0.438 1.00 0.00 C ATOM 829 O LYS A 56 9.349 -1.928 -0.478 1.00 0.00 O ATOM 830 CB LYS A 56 7.059 -3.008 0.567 1.00 0.00 C ATOM 831 CG LYS A 56 7.761 -4.341 0.842 1.00 0.00 C ATOM 832 CD LYS A 56 7.035 -5.464 0.098 1.00 0.00 C ATOM 833 CE LYS A 56 6.007 -6.110 1.028 1.00 0.00 C ATOM 834 NZ LYS A 56 5.297 -7.201 0.301 1.00 0.00 N ATOM 0 H LYS A 56 5.943 -0.808 1.115 1.00 0.00 H new ATOM 0 HA LYS A 56 8.219 -2.288 2.236 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.015 -3.064 0.876 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.064 -2.797 -0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.801 -4.290 0.519 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.769 -4.546 1.913 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.540 -5.067 -0.789 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.752 -6.211 -0.244 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.502 -6.510 1.913 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.292 -5.363 1.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.598 -7.641 0.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 4.813 -6.806 -0.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.985 -7.918 -0.007 1.00 0.00 H new ATOM 848 N ASP A 57 9.254 -0.067 0.688 1.00 0.00 N ATOM 849 CA ASP A 57 10.301 0.570 -0.150 1.00 0.00 C ATOM 850 C ASP A 57 9.668 1.004 -1.471 1.00 0.00 C ATOM 851 O ASP A 57 10.288 0.965 -2.514 1.00 0.00 O ATOM 852 CB ASP A 57 11.421 -0.434 -0.418 1.00 0.00 C ATOM 853 CG ASP A 57 12.759 0.302 -0.519 1.00 0.00 C ATOM 854 OD1 ASP A 57 13.000 1.169 0.305 1.00 0.00 O ATOM 855 OD2 ASP A 57 13.520 -0.015 -1.418 1.00 0.00 O ATOM 0 H ASP A 57 8.887 0.516 1.440 1.00 0.00 H new ATOM 0 HA ASP A 57 10.718 1.436 0.364 1.00 0.00 H new ATOM 0 HB2 ASP A 57 11.460 -1.172 0.383 1.00 0.00 H new ATOM 0 HB3 ASP A 57 11.223 -0.977 -1.342 1.00 0.00 H new ATOM 860 N ASN A 58 8.428 1.411 -1.429 1.00 0.00 N ATOM 861 CA ASN A 58 7.740 1.840 -2.675 1.00 0.00 C ATOM 862 C ASN A 58 8.174 3.261 -3.037 1.00 0.00 C ATOM 863 O ASN A 58 8.557 3.533 -4.157 1.00 0.00 O ATOM 864 CB ASN A 58 6.229 1.810 -2.462 1.00 0.00 C ATOM 865 CG ASN A 58 5.862 0.714 -1.455 1.00 0.00 C ATOM 866 OD1 ASN A 58 6.408 -0.371 -1.498 1.00 0.00 O ATOM 867 ND2 ASN A 58 4.954 0.951 -0.546 1.00 0.00 N ATOM 0 H ASN A 58 7.862 1.464 -0.582 1.00 0.00 H new ATOM 0 HA ASN A 58 8.006 1.161 -3.485 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.886 2.779 -2.099 1.00 0.00 H new ATOM 0 HB3 ASN A 58 5.724 1.628 -3.410 1.00 0.00 H new ATOM 0 HD21 ASN A 58 4.704 0.226 0.126 1.00 0.00 H new ATOM 0 HD22 ASN A 58 4.495 1.861 -0.509 1.00 0.00 H new ATOM 874 N GLY A 59 8.125 4.170 -2.103 1.00 0.00 N ATOM 875 CA GLY A 59 8.541 5.565 -2.412 1.00 0.00 C ATOM 876 C GLY A 59 7.330 6.488 -2.335 1.00 0.00 C ATOM 877 O GLY A 59 7.271 7.511 -2.987 1.00 0.00 O ATOM 0 H GLY A 59 7.817 4.008 -1.144 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.306 5.892 -1.707 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.984 5.611 -3.407 1.00 0.00 H new ATOM 881 N GLU A 60 6.362 6.122 -1.550 1.00 0.00 N ATOM 882 CA GLU A 60 5.136 6.954 -1.420 1.00 0.00 C ATOM 883 C GLU A 60 4.371 6.918 -2.740 1.00 0.00 C ATOM 884 O GLU A 60 4.881 6.478 -3.751 1.00 0.00 O ATOM 885 CB GLU A 60 5.518 8.394 -1.063 1.00 0.00 C ATOM 886 CG GLU A 60 6.281 8.393 0.263 1.00 0.00 C ATOM 887 CD GLU A 60 6.562 9.834 0.696 1.00 0.00 C ATOM 888 OE1 GLU A 60 5.623 10.508 1.085 1.00 0.00 O ATOM 889 OE2 GLU A 60 7.712 10.236 0.635 1.00 0.00 O ATOM 0 H GLU A 60 6.366 5.272 -0.986 1.00 0.00 H new ATOM 0 HA GLU A 60 4.503 6.559 -0.625 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.134 8.827 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 60 4.624 9.012 -0.982 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.699 7.880 1.028 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.218 7.846 0.155 1.00 0.00 H new ATOM 896 N TYR A 61 3.147 7.352 -2.735 1.00 0.00 N ATOM 897 CA TYR A 61 2.345 7.313 -3.990 1.00 0.00 C ATOM 898 C TYR A 61 1.196 8.315 -3.915 1.00 0.00 C ATOM 899 O TYR A 61 0.932 8.908 -2.889 1.00 0.00 O ATOM 900 CB TYR A 61 1.745 5.919 -4.139 1.00 0.00 C ATOM 901 CG TYR A 61 0.958 5.610 -2.892 1.00 0.00 C ATOM 902 CD1 TYR A 61 1.606 5.069 -1.780 1.00 0.00 C ATOM 903 CD2 TYR A 61 -0.415 5.870 -2.843 1.00 0.00 C ATOM 904 CE1 TYR A 61 0.890 4.786 -0.621 1.00 0.00 C ATOM 905 CE2 TYR A 61 -1.137 5.589 -1.681 1.00 0.00 C ATOM 906 CZ TYR A 61 -0.485 5.045 -0.567 1.00 0.00 C ATOM 907 OH TYR A 61 -1.197 4.765 0.580 1.00 0.00 O ATOM 0 H TYR A 61 2.665 7.732 -1.920 1.00 0.00 H new ATOM 0 HA TYR A 61 2.991 7.559 -4.833 1.00 0.00 H new ATOM 0 HB2 TYR A 61 1.100 5.875 -5.016 1.00 0.00 H new ATOM 0 HB3 TYR A 61 2.533 5.180 -4.285 1.00 0.00 H new ATOM 0 HD1 TYR A 61 2.667 4.869 -1.820 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -0.917 6.288 -3.703 1.00 0.00 H new ATOM 0 HE1 TYR A 61 1.395 4.367 0.237 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -2.197 5.791 -1.641 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.101 5.135 0.502 1.00 0.00 H new ATOM 917 N THR A 62 0.491 8.474 -4.998 1.00 0.00 N ATOM 918 CA THR A 62 -0.670 9.398 -5.012 1.00 0.00 C ATOM 919 C THR A 62 -1.930 8.555 -5.195 1.00 0.00 C ATOM 920 O THR A 62 -1.854 7.365 -5.427 1.00 0.00 O ATOM 921 CB THR A 62 -0.532 10.386 -6.170 1.00 0.00 C ATOM 922 OG1 THR A 62 -0.338 9.668 -7.382 1.00 0.00 O ATOM 923 CG2 THR A 62 0.667 11.303 -5.917 1.00 0.00 C ATOM 0 H THR A 62 0.673 7.998 -5.882 1.00 0.00 H new ATOM 0 HA THR A 62 -0.721 9.964 -4.082 1.00 0.00 H new ATOM 0 HB THR A 62 -1.437 10.988 -6.247 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.251 10.300 -8.126 1.00 0.00 H new ATOM 0 HG21 THR A 62 0.766 12.008 -6.742 1.00 0.00 H new ATOM 0 HG22 THR A 62 0.516 11.852 -4.987 1.00 0.00 H new ATOM 0 HG23 THR A 62 1.574 10.703 -5.841 1.00 0.00 H new ATOM 931 N VAL A 63 -3.087 9.138 -5.086 1.00 0.00 N ATOM 932 CA VAL A 63 -4.324 8.326 -5.249 1.00 0.00 C ATOM 933 C VAL A 63 -5.099 8.777 -6.486 1.00 0.00 C ATOM 934 O VAL A 63 -5.442 9.934 -6.628 1.00 0.00 O ATOM 935 CB VAL A 63 -5.207 8.483 -4.009 1.00 0.00 C ATOM 936 CG1 VAL A 63 -5.919 9.840 -4.048 1.00 0.00 C ATOM 937 CG2 VAL A 63 -6.249 7.362 -3.988 1.00 0.00 C ATOM 0 H VAL A 63 -3.232 10.129 -4.894 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.043 7.280 -5.371 1.00 0.00 H new ATOM 0 HB VAL A 63 -4.588 8.428 -3.114 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.546 9.947 -3.163 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -5.178 10.639 -4.066 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.539 9.900 -4.942 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.881 7.469 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.865 7.421 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -5.744 6.396 -3.957 1.00 0.00 H new ATOM 947 N ASP A 64 -5.405 7.866 -7.365 1.00 0.00 N ATOM 948 CA ASP A 64 -6.186 8.237 -8.569 1.00 0.00 C ATOM 949 C ASP A 64 -7.658 8.063 -8.245 1.00 0.00 C ATOM 950 O ASP A 64 -8.089 7.035 -7.766 1.00 0.00 O ATOM 951 CB ASP A 64 -5.811 7.337 -9.739 1.00 0.00 C ATOM 952 CG ASP A 64 -5.916 8.122 -11.048 1.00 0.00 C ATOM 953 OD1 ASP A 64 -5.221 9.115 -11.177 1.00 0.00 O ATOM 954 OD2 ASP A 64 -6.688 7.714 -11.900 1.00 0.00 O ATOM 0 H ASP A 64 -5.147 6.881 -7.299 1.00 0.00 H new ATOM 0 HA ASP A 64 -5.973 9.269 -8.847 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -4.796 6.961 -9.610 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.471 6.470 -9.770 1.00 0.00 H new ATOM 959 N VAL A 65 -8.422 9.069 -8.487 1.00 0.00 N ATOM 960 CA VAL A 65 -9.877 8.988 -8.178 1.00 0.00 C ATOM 961 C VAL A 65 -10.673 8.746 -9.461 1.00 0.00 C ATOM 962 O VAL A 65 -10.751 9.592 -10.331 1.00 0.00 O ATOM 963 CB VAL A 65 -10.336 10.290 -7.510 1.00 0.00 C ATOM 964 CG1 VAL A 65 -10.485 11.396 -8.557 1.00 0.00 C ATOM 965 CG2 VAL A 65 -11.683 10.056 -6.823 1.00 0.00 C ATOM 0 H VAL A 65 -8.111 9.954 -8.888 1.00 0.00 H new ATOM 0 HA VAL A 65 -10.052 8.156 -7.496 1.00 0.00 H new ATOM 0 HB VAL A 65 -9.592 10.596 -6.774 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.811 12.315 -8.071 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -9.526 11.565 -9.047 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -11.224 11.096 -9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -12.014 10.979 -6.347 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -12.420 9.746 -7.564 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -11.576 9.276 -6.069 1.00 0.00 H new ATOM 975 N ALA A 66 -11.271 7.595 -9.583 1.00 0.00 N ATOM 976 CA ALA A 66 -12.067 7.300 -10.806 1.00 0.00 C ATOM 977 C ALA A 66 -13.228 6.369 -10.446 1.00 0.00 C ATOM 978 O ALA A 66 -13.366 5.940 -9.317 1.00 0.00 O ATOM 979 CB ALA A 66 -11.170 6.632 -11.849 1.00 0.00 C ATOM 0 H ALA A 66 -11.243 6.847 -8.890 1.00 0.00 H new ATOM 0 HA ALA A 66 -12.465 8.228 -11.217 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -11.752 6.416 -12.745 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -10.348 7.301 -12.103 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -10.770 5.703 -11.443 1.00 0.00 H new ATOM 985 N ASP A 67 -14.064 6.056 -11.396 1.00 0.00 N ATOM 986 CA ASP A 67 -15.217 5.153 -11.116 1.00 0.00 C ATOM 987 C ASP A 67 -16.255 5.879 -10.251 1.00 0.00 C ATOM 988 O ASP A 67 -16.917 5.279 -9.429 1.00 0.00 O ATOM 989 CB ASP A 67 -14.728 3.910 -10.391 1.00 0.00 C ATOM 990 CG ASP A 67 -15.570 2.704 -10.815 1.00 0.00 C ATOM 991 OD1 ASP A 67 -15.394 2.246 -11.931 1.00 0.00 O ATOM 992 OD2 ASP A 67 -16.378 2.261 -10.015 1.00 0.00 O ATOM 0 H ASP A 67 -13.999 6.388 -12.358 1.00 0.00 H new ATOM 0 HA ASP A 67 -15.680 4.864 -12.060 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.678 3.732 -10.621 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -14.798 4.054 -9.313 1.00 0.00 H new ATOM 997 N LYS A 68 -16.404 7.166 -10.436 1.00 0.00 N ATOM 998 CA LYS A 68 -17.402 7.935 -9.633 1.00 0.00 C ATOM 999 C LYS A 68 -16.810 8.269 -8.256 1.00 0.00 C ATOM 1000 O LYS A 68 -17.434 8.917 -7.440 1.00 0.00 O ATOM 1001 CB LYS A 68 -18.710 7.112 -9.519 1.00 0.00 C ATOM 1002 CG LYS A 68 -18.934 6.577 -8.096 1.00 0.00 C ATOM 1003 CD LYS A 68 -19.807 7.562 -7.309 1.00 0.00 C ATOM 1004 CE LYS A 68 -20.837 6.790 -6.482 1.00 0.00 C ATOM 1005 NZ LYS A 68 -21.945 6.333 -7.366 1.00 0.00 N ATOM 0 H LYS A 68 -15.876 7.719 -11.111 1.00 0.00 H new ATOM 0 HA LYS A 68 -17.640 8.878 -10.126 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -19.556 7.735 -9.809 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -18.674 6.277 -10.218 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -19.415 5.600 -8.135 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -17.977 6.441 -7.593 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -19.184 8.172 -6.655 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -20.313 8.243 -7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -20.364 5.933 -6.002 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -21.230 7.424 -5.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -22.693 5.898 -6.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -22.336 7.147 -7.882 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -21.582 5.634 -8.045 1.00 0.00 H new ATOM 1019 N GLY A 69 -15.612 7.830 -7.992 1.00 0.00 N ATOM 1020 CA GLY A 69 -14.988 8.115 -6.668 1.00 0.00 C ATOM 1021 C GLY A 69 -15.019 6.840 -5.827 1.00 0.00 C ATOM 1022 O GLY A 69 -15.196 6.875 -4.626 1.00 0.00 O ATOM 0 H GLY A 69 -15.037 7.286 -8.635 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -13.961 8.456 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -15.527 8.915 -6.161 1.00 0.00 H new ATOM 1026 N TYR A 70 -14.859 5.714 -6.462 1.00 0.00 N ATOM 1027 CA TYR A 70 -14.889 4.426 -5.734 1.00 0.00 C ATOM 1028 C TYR A 70 -13.564 3.695 -5.922 1.00 0.00 C ATOM 1029 O TYR A 70 -12.844 3.434 -4.980 1.00 0.00 O ATOM 1030 CB TYR A 70 -16.019 3.578 -6.287 1.00 0.00 C ATOM 1031 CG TYR A 70 -16.620 2.762 -5.178 1.00 0.00 C ATOM 1032 CD1 TYR A 70 -16.910 3.358 -3.944 1.00 0.00 C ATOM 1033 CD2 TYR A 70 -16.884 1.404 -5.381 1.00 0.00 C ATOM 1034 CE1 TYR A 70 -17.461 2.592 -2.912 1.00 0.00 C ATOM 1035 CE2 TYR A 70 -17.437 0.638 -4.353 1.00 0.00 C ATOM 1036 CZ TYR A 70 -17.724 1.229 -3.122 1.00 0.00 C ATOM 1037 OH TYR A 70 -18.265 0.463 -2.117 1.00 0.00 O ATOM 0 H TYR A 70 -14.707 5.635 -7.468 1.00 0.00 H new ATOM 0 HA TYR A 70 -15.046 4.608 -4.671 1.00 0.00 H new ATOM 0 HB2 TYR A 70 -16.780 4.215 -6.738 1.00 0.00 H new ATOM 0 HB3 TYR A 70 -15.645 2.923 -7.074 1.00 0.00 H new ATOM 0 HD1 TYR A 70 -16.708 4.408 -3.790 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -16.660 0.947 -6.334 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -17.683 3.047 -1.958 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -17.642 -0.411 -4.510 1.00 0.00 H new ATOM 0 HH TYR A 70 -19.220 0.666 -2.029 1.00 0.00 H new ATOM 1047 N THR A 71 -13.236 3.364 -7.137 1.00 0.00 N ATOM 1048 CA THR A 71 -11.960 2.652 -7.394 1.00 0.00 C ATOM 1049 C THR A 71 -10.817 3.667 -7.382 1.00 0.00 C ATOM 1050 O THR A 71 -10.884 4.699 -8.022 1.00 0.00 O ATOM 1051 CB THR A 71 -12.029 1.967 -8.760 1.00 0.00 C ATOM 1052 OG1 THR A 71 -13.325 1.413 -8.945 1.00 0.00 O ATOM 1053 CG2 THR A 71 -10.983 0.853 -8.830 1.00 0.00 C ATOM 0 H THR A 71 -13.800 3.557 -7.965 1.00 0.00 H new ATOM 0 HA THR A 71 -11.790 1.899 -6.624 1.00 0.00 H new ATOM 0 HB THR A 71 -11.829 2.699 -9.543 1.00 0.00 H new ATOM 0 HG1 THR A 71 -13.372 0.975 -9.820 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.034 0.367 -9.804 1.00 0.00 H new ATOM 0 HG22 THR A 71 -9.989 1.278 -8.688 1.00 0.00 H new ATOM 0 HG23 THR A 71 -11.179 0.120 -8.048 1.00 0.00 H new ATOM 1061 N LEU A 72 -9.767 3.388 -6.660 1.00 0.00 N ATOM 1062 CA LEU A 72 -8.628 4.347 -6.620 1.00 0.00 C ATOM 1063 C LEU A 72 -7.335 3.623 -6.995 1.00 0.00 C ATOM 1064 O LEU A 72 -6.880 2.739 -6.297 1.00 0.00 O ATOM 1065 CB LEU A 72 -8.476 4.963 -5.221 1.00 0.00 C ATOM 1066 CG LEU A 72 -9.254 4.155 -4.179 1.00 0.00 C ATOM 1067 CD1 LEU A 72 -8.531 4.235 -2.832 1.00 0.00 C ATOM 1068 CD2 LEU A 72 -10.660 4.741 -4.032 1.00 0.00 C ATOM 0 H LEU A 72 -9.649 2.544 -6.100 1.00 0.00 H new ATOM 0 HA LEU A 72 -8.829 5.147 -7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -7.422 4.997 -4.947 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -8.836 5.992 -5.232 1.00 0.00 H new ATOM 0 HG LEU A 72 -9.321 3.115 -4.498 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -9.083 3.660 -2.088 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.526 3.826 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -8.469 5.276 -2.514 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -11.217 4.168 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -10.589 5.780 -3.710 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.176 4.693 -4.991 1.00 0.00 H new ATOM 1080 N ASN A 73 -6.736 3.999 -8.092 1.00 0.00 N ATOM 1081 CA ASN A 73 -5.467 3.338 -8.511 1.00 0.00 C ATOM 1082 C ASN A 73 -4.280 4.071 -7.892 1.00 0.00 C ATOM 1083 O ASN A 73 -4.117 5.264 -8.054 1.00 0.00 O ATOM 1084 CB ASN A 73 -5.353 3.369 -10.029 1.00 0.00 C ATOM 1085 CG ASN A 73 -6.190 2.237 -10.627 1.00 0.00 C ATOM 1086 OD1 ASN A 73 -5.896 1.752 -11.701 1.00 0.00 O ATOM 1087 ND2 ASN A 73 -7.230 1.796 -9.974 1.00 0.00 N ATOM 0 H ASN A 73 -7.070 4.734 -8.715 1.00 0.00 H new ATOM 0 HA ASN A 73 -5.469 2.303 -8.171 1.00 0.00 H new ATOM 0 HB2 ASN A 73 -5.697 4.330 -10.411 1.00 0.00 H new ATOM 0 HB3 ASN A 73 -4.310 3.262 -10.328 1.00 0.00 H new ATOM 0 HD21 ASN A 73 -7.797 1.044 -10.365 1.00 0.00 H new ATOM 0 HD22 ASN A 73 -7.476 2.204 -9.072 1.00 0.00 H new ATOM 1094 N ILE A 74 -3.453 3.365 -7.176 1.00 0.00 N ATOM 1095 CA ILE A 74 -2.279 4.014 -6.534 1.00 0.00 C ATOM 1096 C ILE A 74 -1.061 3.912 -7.452 1.00 0.00 C ATOM 1097 O ILE A 74 -0.953 3.015 -8.265 1.00 0.00 O ATOM 1098 CB ILE A 74 -1.983 3.307 -5.214 1.00 0.00 C ATOM 1099 CG1 ILE A 74 -3.085 3.644 -4.210 1.00 0.00 C ATOM 1100 CG2 ILE A 74 -0.632 3.776 -4.677 1.00 0.00 C ATOM 1101 CD1 ILE A 74 -3.690 2.351 -3.664 1.00 0.00 C ATOM 0 H ILE A 74 -3.540 2.363 -7.007 1.00 0.00 H new ATOM 0 HA ILE A 74 -2.498 5.066 -6.352 1.00 0.00 H new ATOM 0 HB ILE A 74 -1.950 2.229 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -2.678 4.241 -3.394 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -3.857 4.245 -4.690 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.420 3.271 -3.734 1.00 0.00 H new ATOM 0 HG22 ILE A 74 0.149 3.538 -5.399 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -0.660 4.853 -4.514 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -4.476 2.591 -2.948 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -4.112 1.772 -4.485 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.914 1.767 -3.169 1.00 0.00 H new ATOM 1113 N LYS A 75 -0.137 4.825 -7.321 1.00 0.00 N ATOM 1114 CA LYS A 75 1.080 4.781 -8.176 1.00 0.00 C ATOM 1115 C LYS A 75 2.295 5.209 -7.353 1.00 0.00 C ATOM 1116 O LYS A 75 2.601 6.379 -7.236 1.00 0.00 O ATOM 1117 CB LYS A 75 0.913 5.724 -9.363 1.00 0.00 C ATOM 1118 CG LYS A 75 1.191 4.958 -10.655 1.00 0.00 C ATOM 1119 CD LYS A 75 2.697 4.954 -10.929 1.00 0.00 C ATOM 1120 CE LYS A 75 3.064 6.171 -11.778 1.00 0.00 C ATOM 1121 NZ LYS A 75 3.721 7.196 -10.919 1.00 0.00 N ATOM 0 H LYS A 75 -0.174 5.599 -6.658 1.00 0.00 H new ATOM 0 HA LYS A 75 1.225 3.765 -8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.097 6.133 -9.379 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.597 6.568 -9.272 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.823 3.936 -10.571 1.00 0.00 H new ATOM 0 HG3 LYS A 75 0.660 5.421 -11.487 1.00 0.00 H new ATOM 0 HD2 LYS A 75 3.248 4.973 -9.989 1.00 0.00 H new ATOM 0 HD3 LYS A 75 2.981 4.037 -11.446 1.00 0.00 H new ATOM 0 HE2 LYS A 75 3.733 5.876 -12.586 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.170 6.588 -12.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 4.278 7.842 -11.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.995 7.736 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 4.349 6.726 -10.236 1.00 0.00 H new ATOM 1135 N PHE A 76 2.994 4.266 -6.788 1.00 0.00 N ATOM 1136 CA PHE A 76 4.196 4.609 -5.976 1.00 0.00 C ATOM 1137 C PHE A 76 5.323 5.052 -6.909 1.00 0.00 C ATOM 1138 O PHE A 76 5.523 4.491 -7.969 1.00 0.00 O ATOM 1139 CB PHE A 76 4.658 3.387 -5.169 1.00 0.00 C ATOM 1140 CG PHE A 76 3.484 2.734 -4.479 1.00 0.00 C ATOM 1141 CD1 PHE A 76 2.672 1.825 -5.167 1.00 0.00 C ATOM 1142 CD2 PHE A 76 3.217 3.034 -3.142 1.00 0.00 C ATOM 1143 CE1 PHE A 76 1.590 1.221 -4.517 1.00 0.00 C ATOM 1144 CE2 PHE A 76 2.136 2.431 -2.490 1.00 0.00 C ATOM 1145 CZ PHE A 76 1.322 1.524 -3.177 1.00 0.00 C ATOM 0 H PHE A 76 2.785 3.270 -6.853 1.00 0.00 H new ATOM 0 HA PHE A 76 3.942 5.415 -5.287 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.144 2.670 -5.830 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.399 3.691 -4.430 1.00 0.00 H new ATOM 0 HD1 PHE A 76 2.881 1.590 -6.200 1.00 0.00 H new ATOM 0 HD2 PHE A 76 3.846 3.733 -2.610 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.962 0.522 -5.049 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.930 2.666 -1.456 1.00 0.00 H new ATOM 0 HZ PHE A 76 0.488 1.058 -2.674 1.00 0.00 H new ATOM 1155 N ALA A 77 6.065 6.054 -6.526 1.00 0.00 N ATOM 1156 CA ALA A 77 7.177 6.528 -7.394 1.00 0.00 C ATOM 1157 C ALA A 77 8.260 5.451 -7.458 1.00 0.00 C ATOM 1158 O ALA A 77 8.434 4.792 -8.463 1.00 0.00 O ATOM 1159 CB ALA A 77 7.770 7.813 -6.816 1.00 0.00 C ATOM 0 H ALA A 77 5.949 6.564 -5.650 1.00 0.00 H new ATOM 0 HA ALA A 77 6.797 6.727 -8.396 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.584 8.157 -7.454 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.998 8.580 -6.767 1.00 0.00 H new ATOM 0 HB3 ALA A 77 8.152 7.619 -5.814 1.00 0.00 H new ATOM 1165 N GLY A 78 8.989 5.265 -6.391 1.00 0.00 N ATOM 1166 CA GLY A 78 10.060 4.227 -6.392 1.00 0.00 C ATOM 1167 C GLY A 78 11.290 4.759 -5.653 1.00 0.00 C ATOM 1168 O GLY A 78 11.503 4.345 -4.525 1.00 0.00 O ATOM 1169 OXT GLY A 78 11.997 5.570 -6.227 1.00 0.00 O ATOM 0 H GLY A 78 8.890 5.786 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.700 3.317 -5.912 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.324 3.963 -7.416 1.00 0.00 H new