USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 722 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 65 ASN : amide:sc= -1.46! C(o=-5.4!,f=-5.6!) USER MOD Set 1.2: A 95 HIS : no HD1:sc= -3.94 K(o=-5.4,f=-9.6!) USER MOD Set 2.1: A 45 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 84 GLN :FLIP amide:sc= -0.933 F(o=-2.9,f=-0.93) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.143 USER MOD Single : A 22 SER OG : rot 66:sc= 0.0033 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 70:sc= -1.71 USER MOD Single : A 48 SER OG : rot 6:sc= -2.16! USER MOD Single : A 52 THR OG1 : rot -149:sc= 1.12 USER MOD Single : A 53 GLN : amide:sc= -1.38! X(o=-1.4!,f=-1) USER MOD Single : A 58 HIS : no HD1:sc= -0.0622 K(o=-0.062,f=-1.9!) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 HIS : no HE2:sc= 0.0159 X(o=0.016,f=-0.12) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot -153:sc= 0.764 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 ASN : amide:sc= -0.139 X(o=-0.14,f=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 TYR OH : rot -95:sc= 0.801 USER MOD Single : A 87 TYR OH : rot -169:sc= -0.111 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -147:sc= -0.0204 (180deg=-1.4!) USER MOD Single : A 100 THR OG1 : rot 41:sc= 0.334 USER MOD Single : A 101 TYR OH : rot 30:sc= 0 USER MOD Single : A 108 ASN : amide:sc= -0.0809 K(o=-0.081,f=-0.74) USER MOD Single : A 109 SER OG : rot 2:sc= 0.3 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 THR OG1 : rot 180:sc= -0.0105 USER MOD ----------------------------------------------------------------- ATOM 244 N VAL A 19 0.978 20.505 1.647 1.00 0.00 N ATOM 245 CA VAL A 19 1.467 19.603 0.612 1.00 0.00 C ATOM 246 C VAL A 19 0.349 19.212 -0.348 1.00 0.00 C ATOM 247 O VAL A 19 -0.827 19.214 0.017 1.00 0.00 O ATOM 248 CB VAL A 19 2.076 18.326 1.221 1.00 0.00 C ATOM 249 CG1 VAL A 19 0.995 17.479 1.875 1.00 0.00 C ATOM 250 CG2 VAL A 19 2.818 17.531 0.157 1.00 0.00 C ATOM 0 HA VAL A 19 2.242 20.140 0.065 1.00 0.00 H new ATOM 0 HB VAL A 19 2.792 18.616 1.990 1.00 0.00 H new ATOM 0 HG11 VAL A 19 1.444 16.581 2.300 1.00 0.00 H new ATOM 0 HG12 VAL A 19 0.512 18.053 2.666 1.00 0.00 H new ATOM 0 HG13 VAL A 19 0.253 17.196 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 19 3.242 16.632 0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 19 2.125 17.250 -0.636 1.00 0.00 H new ATOM 0 HG23 VAL A 19 3.619 18.141 -0.260 1.00 0.00 H new ATOM 260 N ASP A 20 0.723 18.877 -1.578 1.00 0.00 N ATOM 261 CA ASP A 20 -0.248 18.481 -2.592 1.00 0.00 C ATOM 262 C ASP A 20 -0.567 16.993 -2.487 1.00 0.00 C ATOM 263 O ASP A 20 -1.733 16.599 -2.446 1.00 0.00 O ATOM 264 CB ASP A 20 0.282 18.805 -3.990 1.00 0.00 C ATOM 265 CG ASP A 20 -0.044 20.222 -4.419 1.00 0.00 C ATOM 266 OD1 ASP A 20 0.542 21.165 -3.847 1.00 0.00 O ATOM 267 OD2 ASP A 20 -0.885 20.388 -5.327 1.00 0.00 O ATOM 0 H ASP A 20 1.692 18.872 -1.897 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.166 19.044 -2.421 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.363 18.663 -4.008 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -0.144 18.104 -4.708 1.00 0.00 H new ATOM 272 N THR A 21 0.476 16.171 -2.445 1.00 0.00 N ATOM 273 CA THR A 21 0.307 14.726 -2.348 1.00 0.00 C ATOM 274 C THR A 21 -0.918 14.262 -3.127 1.00 0.00 C ATOM 275 O THR A 21 -1.673 13.408 -2.663 1.00 0.00 O ATOM 276 CB THR A 21 0.172 14.274 -0.882 1.00 0.00 C ATOM 277 OG1 THR A 21 -0.767 15.110 -0.196 1.00 0.00 O ATOM 278 CG2 THR A 21 1.517 14.326 -0.173 1.00 0.00 C ATOM 0 H THR A 21 1.447 16.481 -2.477 1.00 0.00 H new ATOM 0 HA THR A 21 1.200 14.273 -2.779 1.00 0.00 H new ATOM 0 HB THR A 21 -0.185 13.244 -0.874 1.00 0.00 H new ATOM 0 HG1 THR A 21 -0.848 14.815 0.735 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.396 14.002 0.861 1.00 0.00 H new ATOM 0 HG22 THR A 21 2.221 13.666 -0.680 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.899 15.347 -0.191 1.00 0.00 H new ATOM 286 N SER A 22 -1.110 14.831 -4.313 1.00 0.00 N ATOM 287 CA SER A 22 -2.247 14.477 -5.155 1.00 0.00 C ATOM 288 C SER A 22 -1.788 13.725 -6.400 1.00 0.00 C ATOM 289 O SER A 22 -2.602 13.180 -7.145 1.00 0.00 O ATOM 290 CB SER A 22 -3.019 15.734 -5.560 1.00 0.00 C ATOM 291 OG SER A 22 -4.056 16.016 -4.637 1.00 0.00 O ATOM 0 H SER A 22 -0.493 15.539 -4.712 1.00 0.00 H new ATOM 0 HA SER A 22 -2.904 13.825 -4.580 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.336 16.582 -5.615 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.441 15.600 -6.556 1.00 0.00 H new ATOM 0 HG SER A 22 -3.666 16.254 -3.770 1.00 0.00 H new ATOM 297 N ARG A 23 -0.477 13.700 -6.618 1.00 0.00 N ATOM 298 CA ARG A 23 0.092 13.016 -7.773 1.00 0.00 C ATOM 299 C ARG A 23 1.142 11.997 -7.339 1.00 0.00 C ATOM 300 O ARG A 23 2.164 11.823 -8.003 1.00 0.00 O ATOM 301 CB ARG A 23 0.716 14.028 -8.736 1.00 0.00 C ATOM 302 CG ARG A 23 -0.303 14.917 -9.429 1.00 0.00 C ATOM 303 CD ARG A 23 0.283 16.279 -9.765 1.00 0.00 C ATOM 304 NE ARG A 23 0.204 17.203 -8.637 1.00 0.00 N ATOM 305 CZ ARG A 23 0.211 18.525 -8.767 1.00 0.00 C ATOM 306 NH1 ARG A 23 0.294 19.075 -9.971 1.00 0.00 N ATOM 307 NH2 ARG A 23 0.136 19.299 -7.692 1.00 0.00 N ATOM 0 H ARG A 23 0.211 14.145 -6.010 1.00 0.00 H new ATOM 0 HA ARG A 23 -0.713 12.488 -8.283 1.00 0.00 H new ATOM 0 HB2 ARG A 23 1.418 14.655 -8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.291 13.492 -9.491 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.648 14.433 -10.343 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.174 15.043 -8.786 1.00 0.00 H new ATOM 0 HD2 ARG A 23 1.324 16.161 -10.065 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.248 16.702 -10.618 1.00 0.00 H new ATOM 0 HE ARG A 23 0.140 16.812 -7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.353 18.483 -10.799 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.299 20.090 -10.069 1.00 0.00 H new ATOM 0 HH21 ARG A 23 0.073 18.879 -6.765 1.00 0.00 H new ATOM 0 HH22 ARG A 23 0.141 20.314 -7.793 1.00 0.00 H new ATOM 321 N ILE A 24 0.882 11.327 -6.221 1.00 0.00 N ATOM 322 CA ILE A 24 1.804 10.326 -5.699 1.00 0.00 C ATOM 323 C ILE A 24 1.456 8.935 -6.218 1.00 0.00 C ATOM 324 O ILE A 24 0.347 8.442 -6.010 1.00 0.00 O ATOM 325 CB ILE A 24 1.798 10.304 -4.159 1.00 0.00 C ATOM 326 CG1 ILE A 24 2.409 11.593 -3.607 1.00 0.00 C ATOM 327 CG2 ILE A 24 2.556 9.090 -3.644 1.00 0.00 C ATOM 328 CD1 ILE A 24 2.702 11.536 -2.124 1.00 0.00 C ATOM 0 H ILE A 24 0.041 11.459 -5.660 1.00 0.00 H new ATOM 0 HA ILE A 24 2.800 10.602 -6.046 1.00 0.00 H new ATOM 0 HB ILE A 24 0.766 10.237 -3.815 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.333 11.806 -4.144 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.728 12.421 -3.803 1.00 0.00 H new ATOM 0 HG21 ILE A 24 2.543 9.088 -2.554 1.00 0.00 H new ATOM 0 HG22 ILE A 24 2.082 8.181 -4.014 1.00 0.00 H new ATOM 0 HG23 ILE A 24 3.587 9.129 -3.994 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.133 12.484 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 24 1.777 11.354 -1.577 1.00 0.00 H new ATOM 0 HD13 ILE A 24 3.407 10.729 -1.923 1.00 0.00 H new ATOM 340 N LYS A 25 2.411 8.306 -6.894 1.00 0.00 N ATOM 341 CA LYS A 25 2.209 6.969 -7.441 1.00 0.00 C ATOM 342 C LYS A 25 3.056 5.942 -6.696 1.00 0.00 C ATOM 343 O LYS A 25 4.030 6.292 -6.029 1.00 0.00 O ATOM 344 CB LYS A 25 2.555 6.947 -8.931 1.00 0.00 C ATOM 345 CG LYS A 25 1.374 7.255 -9.835 1.00 0.00 C ATOM 346 CD LYS A 25 1.723 7.045 -11.299 1.00 0.00 C ATOM 347 CE LYS A 25 1.514 5.598 -11.719 1.00 0.00 C ATOM 348 NZ LYS A 25 1.980 5.352 -13.112 1.00 0.00 N ATOM 0 H LYS A 25 3.334 8.701 -7.077 1.00 0.00 H new ATOM 0 HA LYS A 25 1.158 6.707 -7.315 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.347 7.672 -9.122 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.952 5.965 -9.189 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.532 6.617 -9.566 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.055 8.286 -9.680 1.00 0.00 H new ATOM 0 HD2 LYS A 25 1.107 7.697 -11.918 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.761 7.329 -11.471 1.00 0.00 H new ATOM 0 HE2 LYS A 25 2.050 4.940 -11.035 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.456 5.346 -11.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 1.820 4.355 -13.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.451 5.961 -13.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 2.995 5.568 -13.182 1.00 0.00 H new ATOM 362 N VAL A 26 2.679 4.673 -6.814 1.00 0.00 N ATOM 363 CA VAL A 26 3.406 3.595 -6.154 1.00 0.00 C ATOM 364 C VAL A 26 3.382 2.322 -6.993 1.00 0.00 C ATOM 365 O VAL A 26 2.324 1.880 -7.439 1.00 0.00 O ATOM 366 CB VAL A 26 2.818 3.291 -4.763 1.00 0.00 C ATOM 367 CG1 VAL A 26 3.057 4.458 -3.816 1.00 0.00 C ATOM 368 CG2 VAL A 26 1.334 2.976 -4.870 1.00 0.00 C ATOM 0 H VAL A 26 1.874 4.366 -7.361 1.00 0.00 H new ATOM 0 HA VAL A 26 4.436 3.932 -6.039 1.00 0.00 H new ATOM 0 HB VAL A 26 3.324 2.415 -4.357 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.635 4.226 -2.838 1.00 0.00 H new ATOM 0 HG12 VAL A 26 4.128 4.632 -3.717 1.00 0.00 H new ATOM 0 HG13 VAL A 26 2.579 5.353 -4.214 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.935 2.764 -3.878 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.810 3.832 -5.297 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.192 2.107 -5.512 1.00 0.00 H new ATOM 378 N PHE A 27 4.557 1.737 -7.203 1.00 0.00 N ATOM 379 CA PHE A 27 4.671 0.514 -7.989 1.00 0.00 C ATOM 380 C PHE A 27 5.483 -0.539 -7.241 1.00 0.00 C ATOM 381 O PHE A 27 6.414 -0.215 -6.505 1.00 0.00 O ATOM 382 CB PHE A 27 5.323 0.811 -9.341 1.00 0.00 C ATOM 383 CG PHE A 27 6.477 1.769 -9.253 1.00 0.00 C ATOM 384 CD1 PHE A 27 6.269 3.135 -9.356 1.00 0.00 C ATOM 385 CD2 PHE A 27 7.769 1.304 -9.067 1.00 0.00 C ATOM 386 CE1 PHE A 27 7.328 4.020 -9.275 1.00 0.00 C ATOM 387 CE2 PHE A 27 8.831 2.184 -8.985 1.00 0.00 C ATOM 388 CZ PHE A 27 8.611 3.543 -9.090 1.00 0.00 C ATOM 0 H PHE A 27 5.443 2.090 -6.840 1.00 0.00 H new ATOM 0 HA PHE A 27 3.667 0.123 -8.155 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.670 -0.124 -9.781 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.571 1.221 -10.016 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.268 3.513 -9.501 1.00 0.00 H new ATOM 0 HD2 PHE A 27 7.948 0.242 -8.985 1.00 0.00 H new ATOM 0 HE1 PHE A 27 7.152 5.083 -9.356 1.00 0.00 H new ATOM 0 HE2 PHE A 27 9.833 1.809 -8.839 1.00 0.00 H new ATOM 0 HZ PHE A 27 9.441 4.232 -9.028 1.00 0.00 H new ATOM 398 N GLY A 28 5.121 -1.804 -7.434 1.00 0.00 N ATOM 399 CA GLY A 28 5.824 -2.887 -6.771 1.00 0.00 C ATOM 400 C GLY A 28 4.881 -3.929 -6.203 1.00 0.00 C ATOM 401 O GLY A 28 3.676 -3.707 -6.085 1.00 0.00 O ATOM 0 H GLY A 28 4.353 -2.098 -8.038 1.00 0.00 H new ATOM 0 HA2 GLY A 28 6.502 -3.363 -7.479 1.00 0.00 H new ATOM 0 HA3 GLY A 28 6.437 -2.480 -5.967 1.00 0.00 H new ATOM 405 N PRO A 29 5.432 -5.096 -5.841 1.00 0.00 N ATOM 406 CA PRO A 29 4.649 -6.200 -5.277 1.00 0.00 C ATOM 407 C PRO A 29 4.141 -5.893 -3.873 1.00 0.00 C ATOM 408 O PRO A 29 3.041 -6.296 -3.498 1.00 0.00 O ATOM 409 CB PRO A 29 5.647 -7.361 -5.242 1.00 0.00 C ATOM 410 CG PRO A 29 6.984 -6.709 -5.173 1.00 0.00 C ATOM 411 CD PRO A 29 6.862 -5.429 -5.953 1.00 0.00 C ATOM 0 HA PRO A 29 3.754 -6.406 -5.864 1.00 0.00 H new ATOM 0 HB2 PRO A 29 5.475 -8.005 -4.379 1.00 0.00 H new ATOM 0 HB3 PRO A 29 5.557 -7.987 -6.130 1.00 0.00 H new ATOM 0 HG2 PRO A 29 7.268 -6.511 -4.140 1.00 0.00 H new ATOM 0 HG3 PRO A 29 7.754 -7.353 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 29 7.491 -4.643 -5.536 1.00 0.00 H new ATOM 0 HD3 PRO A 29 7.164 -5.561 -6.992 1.00 0.00 H new ATOM 419 N GLY A 30 4.950 -5.175 -3.099 1.00 0.00 N ATOM 420 CA GLY A 30 4.564 -4.825 -1.745 1.00 0.00 C ATOM 421 C GLY A 30 3.247 -4.076 -1.692 1.00 0.00 C ATOM 422 O GLY A 30 2.545 -4.112 -0.681 1.00 0.00 O ATOM 0 H GLY A 30 5.866 -4.830 -3.386 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.486 -5.733 -1.147 1.00 0.00 H new ATOM 0 HA3 GLY A 30 5.345 -4.212 -1.295 1.00 0.00 H new ATOM 426 N ILE A 31 2.912 -3.394 -2.782 1.00 0.00 N ATOM 427 CA ILE A 31 1.672 -2.633 -2.856 1.00 0.00 C ATOM 428 C ILE A 31 0.693 -3.269 -3.837 1.00 0.00 C ATOM 429 O ILE A 31 -0.519 -3.093 -3.723 1.00 0.00 O ATOM 430 CB ILE A 31 1.930 -1.175 -3.278 1.00 0.00 C ATOM 431 CG1 ILE A 31 0.729 -0.297 -2.919 1.00 0.00 C ATOM 432 CG2 ILE A 31 2.222 -1.099 -4.769 1.00 0.00 C ATOM 433 CD1 ILE A 31 0.507 -0.157 -1.430 1.00 0.00 C ATOM 0 H ILE A 31 3.483 -3.353 -3.626 1.00 0.00 H new ATOM 0 HA ILE A 31 1.237 -2.642 -1.856 1.00 0.00 H new ATOM 0 HB ILE A 31 2.801 -0.805 -2.738 1.00 0.00 H new ATOM 0 HG12 ILE A 31 0.871 0.693 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.168 -0.718 -3.374 1.00 0.00 H new ATOM 0 HG21 ILE A 31 2.402 -0.062 -5.052 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.105 -1.696 -4.998 1.00 0.00 H new ATOM 0 HG23 ILE A 31 1.369 -1.484 -5.327 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -0.360 0.478 -1.250 1.00 0.00 H new ATOM 0 HD12 ILE A 31 0.333 -1.141 -0.994 1.00 0.00 H new ATOM 0 HD13 ILE A 31 1.388 0.293 -0.972 1.00 0.00 H new ATOM 445 N GLU A 32 1.229 -4.012 -4.801 1.00 0.00 N ATOM 446 CA GLU A 32 0.403 -4.675 -5.803 1.00 0.00 C ATOM 447 C GLU A 32 -0.133 -6.002 -5.273 1.00 0.00 C ATOM 448 O GLU A 32 -1.329 -6.279 -5.357 1.00 0.00 O ATOM 449 CB GLU A 32 1.205 -4.911 -7.084 1.00 0.00 C ATOM 450 CG GLU A 32 1.558 -3.633 -7.826 1.00 0.00 C ATOM 451 CD GLU A 32 0.464 -3.192 -8.779 1.00 0.00 C ATOM 452 OE1 GLU A 32 -0.678 -2.987 -8.318 1.00 0.00 O ATOM 453 OE2 GLU A 32 0.752 -3.050 -9.986 1.00 0.00 O ATOM 0 H GLU A 32 2.231 -4.170 -4.909 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.442 -4.025 -6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.124 -5.442 -6.835 1.00 0.00 H new ATOM 0 HB3 GLU A 32 0.632 -5.559 -7.747 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.748 -2.839 -7.104 1.00 0.00 H new ATOM 0 HG3 GLU A 32 2.482 -3.784 -8.384 1.00 0.00 H new ATOM 460 N GLY A 33 0.762 -6.820 -4.728 1.00 0.00 N ATOM 461 CA GLY A 33 0.362 -8.108 -4.193 1.00 0.00 C ATOM 462 C GLY A 33 0.787 -9.262 -5.080 1.00 0.00 C ATOM 463 O GLY A 33 -0.002 -10.165 -5.358 1.00 0.00 O ATOM 0 H GLY A 33 1.758 -6.613 -4.647 1.00 0.00 H new ATOM 0 HA2 GLY A 33 0.796 -8.237 -3.202 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -0.721 -8.127 -4.071 1.00 0.00 H new ATOM 467 N LYS A 34 2.038 -9.232 -5.527 1.00 0.00 N ATOM 468 CA LYS A 34 2.568 -10.282 -6.388 1.00 0.00 C ATOM 469 C LYS A 34 3.288 -11.347 -5.567 1.00 0.00 C ATOM 470 O LYS A 34 2.802 -12.469 -5.427 1.00 0.00 O ATOM 471 CB LYS A 34 3.526 -9.686 -7.423 1.00 0.00 C ATOM 472 CG LYS A 34 2.994 -8.432 -8.094 1.00 0.00 C ATOM 473 CD LYS A 34 1.735 -8.719 -8.894 1.00 0.00 C ATOM 474 CE LYS A 34 2.063 -9.136 -10.319 1.00 0.00 C ATOM 475 NZ LYS A 34 0.846 -9.189 -11.176 1.00 0.00 N ATOM 0 H LYS A 34 2.704 -8.491 -5.307 1.00 0.00 H new ATOM 0 HA LYS A 34 1.731 -10.751 -6.905 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.474 -9.454 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 34 3.735 -10.436 -8.186 1.00 0.00 H new ATOM 0 HG2 LYS A 34 2.781 -7.676 -7.338 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.758 -8.018 -8.752 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.164 -9.508 -8.405 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.103 -7.831 -8.910 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.778 -8.434 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.543 -10.114 -10.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 1.112 -9.477 -12.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.174 -9.878 -10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 0.401 -8.249 -11.206 1.00 0.00 H new ATOM 489 N ASP A 35 4.447 -10.988 -5.027 1.00 0.00 N ATOM 490 CA ASP A 35 5.232 -11.912 -4.217 1.00 0.00 C ATOM 491 C ASP A 35 5.134 -11.557 -2.737 1.00 0.00 C ATOM 492 O ASP A 35 6.089 -11.733 -1.981 1.00 0.00 O ATOM 493 CB ASP A 35 6.695 -11.897 -4.662 1.00 0.00 C ATOM 494 CG ASP A 35 6.852 -12.166 -6.146 1.00 0.00 C ATOM 495 OD1 ASP A 35 6.678 -11.220 -6.943 1.00 0.00 O ATOM 496 OD2 ASP A 35 7.151 -13.323 -6.510 1.00 0.00 O ATOM 0 H ASP A 35 4.864 -10.063 -5.135 1.00 0.00 H new ATOM 0 HA ASP A 35 4.827 -12.914 -4.359 1.00 0.00 H new ATOM 0 HB2 ASP A 35 7.134 -10.929 -4.423 1.00 0.00 H new ATOM 0 HB3 ASP A 35 7.251 -12.647 -4.099 1.00 0.00 H new ATOM 501 N VAL A 36 3.973 -11.054 -2.330 1.00 0.00 N ATOM 502 CA VAL A 36 3.749 -10.673 -0.941 1.00 0.00 C ATOM 503 C VAL A 36 3.324 -11.875 -0.103 1.00 0.00 C ATOM 504 O VAL A 36 2.909 -11.728 1.047 1.00 0.00 O ATOM 505 CB VAL A 36 2.675 -9.575 -0.825 1.00 0.00 C ATOM 506 CG1 VAL A 36 2.535 -9.114 0.618 1.00 0.00 C ATOM 507 CG2 VAL A 36 3.011 -8.405 -1.737 1.00 0.00 C ATOM 0 H VAL A 36 3.172 -10.901 -2.943 1.00 0.00 H new ATOM 0 HA VAL A 36 4.695 -10.286 -0.563 1.00 0.00 H new ATOM 0 HB VAL A 36 1.719 -9.991 -1.142 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.772 -8.338 0.680 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.245 -9.959 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 36 3.487 -8.714 0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.242 -7.638 -1.643 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.977 -7.988 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.055 -8.750 -2.770 1.00 0.00 H new ATOM 517 N PHE A 37 3.431 -13.063 -0.687 1.00 0.00 N ATOM 518 CA PHE A 37 3.057 -14.292 0.004 1.00 0.00 C ATOM 519 C PHE A 37 3.467 -14.235 1.473 1.00 0.00 C ATOM 520 O PHE A 37 4.392 -13.511 1.843 1.00 0.00 O ATOM 521 CB PHE A 37 3.706 -15.501 -0.672 1.00 0.00 C ATOM 522 CG PHE A 37 3.709 -15.419 -2.172 1.00 0.00 C ATOM 523 CD1 PHE A 37 2.545 -15.130 -2.865 1.00 0.00 C ATOM 524 CD2 PHE A 37 4.876 -15.631 -2.888 1.00 0.00 C ATOM 525 CE1 PHE A 37 2.545 -15.053 -4.246 1.00 0.00 C ATOM 526 CE2 PHE A 37 4.882 -15.555 -4.268 1.00 0.00 C ATOM 527 CZ PHE A 37 3.715 -15.268 -4.947 1.00 0.00 C ATOM 0 H PHE A 37 3.774 -13.202 -1.638 1.00 0.00 H new ATOM 0 HA PHE A 37 1.973 -14.394 -0.050 1.00 0.00 H new ATOM 0 HB2 PHE A 37 4.733 -15.597 -0.319 1.00 0.00 H new ATOM 0 HB3 PHE A 37 3.179 -16.405 -0.367 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.627 -14.963 -2.321 1.00 0.00 H new ATOM 0 HD2 PHE A 37 5.791 -15.858 -2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 37 1.631 -14.825 -4.775 1.00 0.00 H new ATOM 0 HE2 PHE A 37 5.799 -15.720 -4.815 1.00 0.00 H new ATOM 0 HZ PHE A 37 3.717 -15.212 -6.026 1.00 0.00 H new ATOM 537 N ARG A 38 2.772 -15.003 2.305 1.00 0.00 N ATOM 538 CA ARG A 38 3.062 -15.040 3.734 1.00 0.00 C ATOM 539 C ARG A 38 4.518 -15.425 3.983 1.00 0.00 C ATOM 540 O ARG A 38 5.053 -16.319 3.329 1.00 0.00 O ATOM 541 CB ARG A 38 2.133 -16.029 4.439 1.00 0.00 C ATOM 542 CG ARG A 38 2.091 -15.854 5.949 1.00 0.00 C ATOM 543 CD ARG A 38 1.127 -16.837 6.596 1.00 0.00 C ATOM 544 NE ARG A 38 1.379 -16.988 8.027 1.00 0.00 N ATOM 545 CZ ARG A 38 0.488 -17.478 8.882 1.00 0.00 C ATOM 546 NH1 ARG A 38 -0.705 -17.863 8.453 1.00 0.00 N ATOM 547 NH2 ARG A 38 0.792 -17.584 10.169 1.00 0.00 N ATOM 0 H ARG A 38 2.004 -15.608 2.015 1.00 0.00 H new ATOM 0 HA ARG A 38 2.894 -14.043 4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.125 -15.915 4.040 1.00 0.00 H new ATOM 0 HB3 ARG A 38 2.454 -17.045 4.208 1.00 0.00 H new ATOM 0 HG2 ARG A 38 3.090 -15.997 6.361 1.00 0.00 H new ATOM 0 HG3 ARG A 38 1.790 -14.835 6.190 1.00 0.00 H new ATOM 0 HD2 ARG A 38 0.103 -16.496 6.442 1.00 0.00 H new ATOM 0 HD3 ARG A 38 1.216 -17.807 6.108 1.00 0.00 H new ATOM 0 HE ARG A 38 2.288 -16.702 8.389 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.941 -17.784 7.464 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -1.387 -18.239 9.112 1.00 0.00 H new ATOM 0 HH21 ARG A 38 1.710 -17.289 10.502 1.00 0.00 H new ATOM 0 HH22 ARG A 38 0.108 -17.960 10.825 1.00 0.00 H new ATOM 561 N GLU A 39 5.150 -14.744 4.933 1.00 0.00 N ATOM 562 CA GLU A 39 6.544 -15.015 5.267 1.00 0.00 C ATOM 563 C GLU A 39 7.454 -14.733 4.075 1.00 0.00 C ATOM 564 O GLU A 39 8.446 -15.429 3.860 1.00 0.00 O ATOM 565 CB GLU A 39 6.710 -16.468 5.717 1.00 0.00 C ATOM 566 CG GLU A 39 6.051 -16.771 7.052 1.00 0.00 C ATOM 567 CD GLU A 39 6.864 -16.272 8.231 1.00 0.00 C ATOM 568 OE1 GLU A 39 7.516 -15.216 8.096 1.00 0.00 O ATOM 569 OE2 GLU A 39 6.847 -16.937 9.288 1.00 0.00 O ATOM 0 H GLU A 39 4.720 -14.001 5.485 1.00 0.00 H new ATOM 0 HA GLU A 39 6.830 -14.354 6.085 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.289 -17.125 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 39 7.773 -16.699 5.785 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.062 -16.313 7.077 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.906 -17.847 7.145 1.00 0.00 H new ATOM 576 N ALA A 40 7.108 -13.707 3.304 1.00 0.00 N ATOM 577 CA ALA A 40 7.894 -13.331 2.135 1.00 0.00 C ATOM 578 C ALA A 40 8.338 -11.875 2.218 1.00 0.00 C ATOM 579 O ALA A 40 7.599 -11.015 2.697 1.00 0.00 O ATOM 580 CB ALA A 40 7.094 -13.570 0.863 1.00 0.00 C ATOM 0 H ALA A 40 6.289 -13.122 3.468 1.00 0.00 H new ATOM 0 HA ALA A 40 8.788 -13.955 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.693 -13.285 -0.002 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.832 -14.626 0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.184 -12.971 0.888 1.00 0.00 H new ATOM 586 N THR A 41 9.552 -11.604 1.747 1.00 0.00 N ATOM 587 CA THR A 41 10.096 -10.252 1.769 1.00 0.00 C ATOM 588 C THR A 41 9.595 -9.439 0.581 1.00 0.00 C ATOM 589 O THR A 41 10.092 -9.582 -0.537 1.00 0.00 O ATOM 590 CB THR A 41 11.636 -10.266 1.755 1.00 0.00 C ATOM 591 OG1 THR A 41 12.128 -11.090 2.817 1.00 0.00 O ATOM 592 CG2 THR A 41 12.191 -8.857 1.901 1.00 0.00 C ATOM 0 H THR A 41 10.177 -12.303 1.346 1.00 0.00 H new ATOM 0 HA THR A 41 9.753 -9.788 2.694 1.00 0.00 H new ATOM 0 HB THR A 41 11.965 -10.672 0.798 1.00 0.00 H new ATOM 0 HG1 THR A 41 13.108 -11.095 2.800 1.00 0.00 H new ATOM 0 HG21 THR A 41 13.280 -8.892 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 41 11.838 -8.240 1.075 1.00 0.00 H new ATOM 0 HG23 THR A 41 11.853 -8.429 2.844 1.00 0.00 H new ATOM 600 N THR A 42 8.608 -8.583 0.829 1.00 0.00 N ATOM 601 CA THR A 42 8.040 -7.746 -0.220 1.00 0.00 C ATOM 602 C THR A 42 8.159 -6.268 0.131 1.00 0.00 C ATOM 603 O THR A 42 8.045 -5.885 1.295 1.00 0.00 O ATOM 604 CB THR A 42 6.559 -8.086 -0.469 1.00 0.00 C ATOM 605 OG1 THR A 42 6.086 -7.395 -1.630 1.00 0.00 O ATOM 606 CG2 THR A 42 5.708 -7.707 0.734 1.00 0.00 C ATOM 0 H THR A 42 8.186 -8.452 1.748 1.00 0.00 H new ATOM 0 HA THR A 42 8.609 -7.947 -1.128 1.00 0.00 H new ATOM 0 HB THR A 42 6.478 -9.161 -0.628 1.00 0.00 H new ATOM 0 HG1 THR A 42 6.502 -7.778 -2.431 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.666 -7.956 0.535 1.00 0.00 H new ATOM 0 HG22 THR A 42 6.052 -8.256 1.610 1.00 0.00 H new ATOM 0 HG23 THR A 42 5.796 -6.636 0.919 1.00 0.00 H new ATOM 614 N ASP A 43 8.389 -5.441 -0.883 1.00 0.00 N ATOM 615 CA ASP A 43 8.522 -4.002 -0.682 1.00 0.00 C ATOM 616 C ASP A 43 8.064 -3.236 -1.919 1.00 0.00 C ATOM 617 O ASP A 43 8.063 -3.771 -3.028 1.00 0.00 O ATOM 618 CB ASP A 43 9.971 -3.644 -0.352 1.00 0.00 C ATOM 619 CG ASP A 43 10.903 -3.857 -1.529 1.00 0.00 C ATOM 620 OD1 ASP A 43 10.433 -3.761 -2.682 1.00 0.00 O ATOM 621 OD2 ASP A 43 12.101 -4.119 -1.297 1.00 0.00 O ATOM 0 H ASP A 43 8.487 -5.742 -1.853 1.00 0.00 H new ATOM 0 HA ASP A 43 7.886 -3.716 0.156 1.00 0.00 H new ATOM 0 HB2 ASP A 43 10.022 -2.602 -0.036 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.309 -4.249 0.489 1.00 0.00 H new ATOM 626 N PHE A 44 7.674 -1.981 -1.721 1.00 0.00 N ATOM 627 CA PHE A 44 7.212 -1.142 -2.820 1.00 0.00 C ATOM 628 C PHE A 44 8.067 0.117 -2.939 1.00 0.00 C ATOM 629 O PHE A 44 8.927 0.380 -2.099 1.00 0.00 O ATOM 630 CB PHE A 44 5.745 -0.758 -2.614 1.00 0.00 C ATOM 631 CG PHE A 44 5.484 -0.063 -1.308 1.00 0.00 C ATOM 632 CD1 PHE A 44 5.272 -0.793 -0.150 1.00 0.00 C ATOM 633 CD2 PHE A 44 5.453 1.320 -1.238 1.00 0.00 C ATOM 634 CE1 PHE A 44 5.031 -0.157 1.053 1.00 0.00 C ATOM 635 CE2 PHE A 44 5.213 1.963 -0.038 1.00 0.00 C ATOM 636 CZ PHE A 44 5.003 1.223 1.109 1.00 0.00 C ATOM 0 H PHE A 44 7.669 -1.523 -0.810 1.00 0.00 H new ATOM 0 HA PHE A 44 7.305 -1.712 -3.744 1.00 0.00 H new ATOM 0 HB2 PHE A 44 5.430 -0.109 -3.431 1.00 0.00 H new ATOM 0 HB3 PHE A 44 5.132 -1.658 -2.666 1.00 0.00 H new ATOM 0 HD1 PHE A 44 5.295 -1.872 -0.188 1.00 0.00 H new ATOM 0 HD2 PHE A 44 5.618 1.903 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 44 4.865 -0.738 1.948 1.00 0.00 H new ATOM 0 HE2 PHE A 44 5.190 3.042 0.002 1.00 0.00 H new ATOM 0 HZ PHE A 44 4.817 1.722 2.048 1.00 0.00 H new ATOM 646 N THR A 45 7.823 0.892 -3.992 1.00 0.00 N ATOM 647 CA THR A 45 8.571 2.122 -4.224 1.00 0.00 C ATOM 648 C THR A 45 7.632 3.303 -4.439 1.00 0.00 C ATOM 649 O THR A 45 6.722 3.244 -5.265 1.00 0.00 O ATOM 650 CB THR A 45 9.501 1.991 -5.445 1.00 0.00 C ATOM 651 OG1 THR A 45 10.363 0.859 -5.286 1.00 0.00 O ATOM 652 CG2 THR A 45 10.337 3.250 -5.625 1.00 0.00 C ATOM 0 H THR A 45 7.114 0.690 -4.697 1.00 0.00 H new ATOM 0 HA THR A 45 9.175 2.299 -3.334 1.00 0.00 H new ATOM 0 HB THR A 45 8.883 1.854 -6.332 1.00 0.00 H new ATOM 0 HG1 THR A 45 10.950 0.782 -6.067 1.00 0.00 H new ATOM 0 HG21 THR A 45 10.986 3.135 -6.493 1.00 0.00 H new ATOM 0 HG22 THR A 45 9.679 4.106 -5.775 1.00 0.00 H new ATOM 0 HG23 THR A 45 10.946 3.413 -4.736 1.00 0.00 H new ATOM 660 N VAL A 46 7.859 4.378 -3.689 1.00 0.00 N ATOM 661 CA VAL A 46 7.035 5.575 -3.799 1.00 0.00 C ATOM 662 C VAL A 46 7.778 6.690 -4.526 1.00 0.00 C ATOM 663 O VAL A 46 8.750 7.241 -4.009 1.00 0.00 O ATOM 664 CB VAL A 46 6.597 6.084 -2.413 1.00 0.00 C ATOM 665 CG1 VAL A 46 5.666 7.278 -2.552 1.00 0.00 C ATOM 666 CG2 VAL A 46 5.931 4.968 -1.622 1.00 0.00 C ATOM 0 H VAL A 46 8.607 4.443 -2.999 1.00 0.00 H new ATOM 0 HA VAL A 46 6.151 5.298 -4.373 1.00 0.00 H new ATOM 0 HB VAL A 46 7.484 6.407 -1.867 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.367 7.624 -1.562 1.00 0.00 H new ATOM 0 HG12 VAL A 46 6.182 8.082 -3.077 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.781 6.985 -3.117 1.00 0.00 H new ATOM 0 HG21 VAL A 46 5.628 5.345 -0.645 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.053 4.613 -2.162 1.00 0.00 H new ATOM 0 HG23 VAL A 46 6.634 4.145 -1.491 1.00 0.00 H new ATOM 676 N ASP A 47 7.315 7.017 -5.727 1.00 0.00 N ATOM 677 CA ASP A 47 7.935 8.068 -6.525 1.00 0.00 C ATOM 678 C ASP A 47 7.402 9.441 -6.125 1.00 0.00 C ATOM 679 O ASP A 47 6.192 9.651 -6.053 1.00 0.00 O ATOM 680 CB ASP A 47 7.682 7.824 -8.014 1.00 0.00 C ATOM 681 CG ASP A 47 8.817 8.328 -8.884 1.00 0.00 C ATOM 682 OD1 ASP A 47 9.960 7.859 -8.700 1.00 0.00 O ATOM 683 OD2 ASP A 47 8.562 9.191 -9.749 1.00 0.00 O ATOM 0 H ASP A 47 6.512 6.569 -6.170 1.00 0.00 H new ATOM 0 HA ASP A 47 9.009 8.046 -6.338 1.00 0.00 H new ATOM 0 HB2 ASP A 47 7.543 6.757 -8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 47 6.756 8.318 -8.308 1.00 0.00 H new ATOM 688 N SER A 48 8.315 10.371 -5.864 1.00 0.00 N ATOM 689 CA SER A 48 7.938 11.722 -5.466 1.00 0.00 C ATOM 690 C SER A 48 8.677 12.762 -6.302 1.00 0.00 C ATOM 691 O SER A 48 9.863 12.608 -6.597 1.00 0.00 O ATOM 692 CB SER A 48 8.234 11.941 -3.981 1.00 0.00 C ATOM 693 OG SER A 48 9.566 11.572 -3.667 1.00 0.00 O ATOM 0 H SER A 48 9.321 10.214 -5.921 1.00 0.00 H new ATOM 0 HA SER A 48 6.868 11.838 -5.637 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.074 12.988 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.539 11.356 -3.378 1.00 0.00 H new ATOM 0 HG SER A 48 10.047 11.350 -4.491 1.00 0.00 H new ATOM 699 N ARG A 49 7.969 13.820 -6.681 1.00 0.00 N ATOM 700 CA ARG A 49 8.557 14.886 -7.484 1.00 0.00 C ATOM 701 C ARG A 49 8.182 16.256 -6.928 1.00 0.00 C ATOM 702 O ARG A 49 9.008 16.970 -6.359 1.00 0.00 O ATOM 703 CB ARG A 49 8.096 14.770 -8.938 1.00 0.00 C ATOM 704 CG ARG A 49 9.090 14.052 -9.837 1.00 0.00 C ATOM 705 CD ARG A 49 10.489 14.632 -9.695 1.00 0.00 C ATOM 706 NE ARG A 49 11.316 14.359 -10.868 1.00 0.00 N ATOM 707 CZ ARG A 49 11.298 15.102 -11.969 1.00 0.00 C ATOM 708 NH1 ARG A 49 10.500 16.158 -12.047 1.00 0.00 N ATOM 709 NH2 ARG A 49 12.080 14.789 -12.994 1.00 0.00 N ATOM 0 H ARG A 49 6.987 13.963 -6.445 1.00 0.00 H new ATOM 0 HA ARG A 49 9.641 14.782 -7.444 1.00 0.00 H new ATOM 0 HB2 ARG A 49 7.144 14.240 -8.967 1.00 0.00 H new ATOM 0 HB3 ARG A 49 7.917 15.769 -9.334 1.00 0.00 H new ATOM 0 HG2 ARG A 49 9.108 12.991 -9.587 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.766 14.130 -10.875 1.00 0.00 H new ATOM 0 HD2 ARG A 49 10.421 15.709 -9.542 1.00 0.00 H new ATOM 0 HD3 ARG A 49 10.967 14.214 -8.809 1.00 0.00 H new ATOM 0 HE ARG A 49 11.941 13.554 -10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 49 9.898 16.402 -11.260 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.488 16.727 -12.894 1.00 0.00 H new ATOM 0 HH21 ARG A 49 12.695 13.978 -12.937 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.066 15.360 -13.839 1.00 0.00 H new ATOM 723 N PRO A 50 6.906 16.634 -7.095 1.00 0.00 N ATOM 724 CA PRO A 50 6.392 17.921 -6.617 1.00 0.00 C ATOM 725 C PRO A 50 6.314 17.985 -5.096 1.00 0.00 C ATOM 726 O PRO A 50 5.784 18.942 -4.531 1.00 0.00 O ATOM 727 CB PRO A 50 4.991 17.993 -7.228 1.00 0.00 C ATOM 728 CG PRO A 50 4.597 16.572 -7.440 1.00 0.00 C ATOM 729 CD PRO A 50 5.866 15.834 -7.764 1.00 0.00 C ATOM 0 HA PRO A 50 7.039 18.750 -6.903 1.00 0.00 H new ATOM 0 HB2 PRO A 50 4.294 18.502 -6.562 1.00 0.00 H new ATOM 0 HB3 PRO A 50 4.996 18.547 -8.167 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.124 16.161 -6.548 1.00 0.00 H new ATOM 0 HG3 PRO A 50 3.876 16.484 -8.253 1.00 0.00 H new ATOM 0 HD2 PRO A 50 5.843 14.811 -7.389 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.034 15.776 -8.839 1.00 0.00 H new ATOM 737 N LEU A 51 6.846 16.961 -4.437 1.00 0.00 N ATOM 738 CA LEU A 51 6.837 16.901 -2.980 1.00 0.00 C ATOM 739 C LEU A 51 8.258 16.912 -2.426 1.00 0.00 C ATOM 740 O LEU A 51 8.576 17.678 -1.515 1.00 0.00 O ATOM 741 CB LEU A 51 6.102 15.646 -2.506 1.00 0.00 C ATOM 742 CG LEU A 51 4.783 15.333 -3.213 1.00 0.00 C ATOM 743 CD1 LEU A 51 4.148 14.080 -2.629 1.00 0.00 C ATOM 744 CD2 LEU A 51 3.829 16.514 -3.110 1.00 0.00 C ATOM 0 H LEU A 51 7.289 16.161 -4.889 1.00 0.00 H new ATOM 0 HA LEU A 51 6.315 17.782 -2.608 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.768 14.792 -2.628 1.00 0.00 H new ATOM 0 HB3 LEU A 51 5.904 15.746 -1.439 1.00 0.00 H new ATOM 0 HG LEU A 51 4.993 15.152 -4.267 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.210 13.873 -3.145 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.826 13.236 -2.756 1.00 0.00 H new ATOM 0 HD13 LEU A 51 3.952 14.232 -1.568 1.00 0.00 H new ATOM 0 HD21 LEU A 51 2.896 16.273 -3.619 1.00 0.00 H new ATOM 0 HD22 LEU A 51 3.626 16.727 -2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.281 17.389 -3.577 1.00 0.00 H new ATOM 756 N THR A 52 9.111 16.058 -2.982 1.00 0.00 N ATOM 757 CA THR A 52 10.499 15.969 -2.545 1.00 0.00 C ATOM 758 C THR A 52 11.436 15.761 -3.728 1.00 0.00 C ATOM 759 O THR A 52 11.001 15.389 -4.818 1.00 0.00 O ATOM 760 CB THR A 52 10.698 14.821 -1.538 1.00 0.00 C ATOM 761 OG1 THR A 52 11.912 15.018 -0.804 1.00 0.00 O ATOM 762 CG2 THR A 52 10.743 13.478 -2.250 1.00 0.00 C ATOM 0 H THR A 52 8.865 15.417 -3.737 1.00 0.00 H new ATOM 0 HA THR A 52 10.738 16.915 -2.058 1.00 0.00 H new ATOM 0 HB THR A 52 9.853 14.821 -0.849 1.00 0.00 H new ATOM 0 HG1 THR A 52 12.296 14.148 -0.568 1.00 0.00 H new ATOM 0 HG21 THR A 52 10.884 12.683 -1.518 1.00 0.00 H new ATOM 0 HG22 THR A 52 9.806 13.318 -2.784 1.00 0.00 H new ATOM 0 HG23 THR A 52 11.571 13.470 -2.959 1.00 0.00 H new ATOM 770 N GLN A 53 12.724 16.001 -3.507 1.00 0.00 N ATOM 771 CA GLN A 53 13.723 15.839 -4.557 1.00 0.00 C ATOM 772 C GLN A 53 14.846 14.912 -4.102 1.00 0.00 C ATOM 773 O GLN A 53 15.318 14.071 -4.867 1.00 0.00 O ATOM 774 CB GLN A 53 14.298 17.199 -4.957 1.00 0.00 C ATOM 775 CG GLN A 53 13.242 18.204 -5.387 1.00 0.00 C ATOM 776 CD GLN A 53 12.636 17.872 -6.737 1.00 0.00 C ATOM 777 OE1 GLN A 53 13.232 18.139 -7.781 1.00 0.00 O ATOM 778 NE2 GLN A 53 11.445 17.286 -6.723 1.00 0.00 N ATOM 0 H GLN A 53 13.101 16.308 -2.610 1.00 0.00 H new ATOM 0 HA GLN A 53 13.235 15.390 -5.422 1.00 0.00 H new ATOM 0 HB2 GLN A 53 14.857 17.609 -4.116 1.00 0.00 H new ATOM 0 HB3 GLN A 53 15.007 17.058 -5.773 1.00 0.00 H new ATOM 0 HG2 GLN A 53 12.452 18.239 -4.637 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.687 19.198 -5.427 1.00 0.00 H new ATOM 0 HE21 GLN A 53 10.987 17.083 -5.835 1.00 0.00 H new ATOM 0 HE22 GLN A 53 10.988 17.039 -7.601 1.00 0.00 H new ATOM 787 N VAL A 54 15.269 15.072 -2.852 1.00 0.00 N ATOM 788 CA VAL A 54 16.336 14.250 -2.295 1.00 0.00 C ATOM 789 C VAL A 54 15.782 13.224 -1.312 1.00 0.00 C ATOM 790 O VAL A 54 16.400 12.934 -0.288 1.00 0.00 O ATOM 791 CB VAL A 54 17.394 15.111 -1.580 1.00 0.00 C ATOM 792 CG1 VAL A 54 17.993 16.127 -2.541 1.00 0.00 C ATOM 793 CG2 VAL A 54 16.787 15.804 -0.369 1.00 0.00 C ATOM 0 H VAL A 54 14.889 15.764 -2.206 1.00 0.00 H new ATOM 0 HA VAL A 54 16.806 13.732 -3.131 1.00 0.00 H new ATOM 0 HB VAL A 54 18.195 14.458 -1.233 1.00 0.00 H new ATOM 0 HG11 VAL A 54 18.738 16.726 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 54 18.465 15.606 -3.374 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.205 16.778 -2.920 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.549 16.408 0.124 1.00 0.00 H new ATOM 0 HG22 VAL A 54 15.967 16.446 -0.690 1.00 0.00 H new ATOM 0 HG23 VAL A 54 16.410 15.055 0.328 1.00 0.00 H new ATOM 803 N GLY A 55 14.613 12.678 -1.631 1.00 0.00 N ATOM 804 CA GLY A 55 13.996 11.690 -0.765 1.00 0.00 C ATOM 805 C GLY A 55 13.444 12.298 0.509 1.00 0.00 C ATOM 806 O GLY A 55 12.433 12.999 0.483 1.00 0.00 O ATOM 0 H GLY A 55 14.082 12.902 -2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.191 11.191 -1.304 1.00 0.00 H new ATOM 0 HA3 GLY A 55 14.730 10.926 -0.510 1.00 0.00 H new ATOM 810 N GLY A 56 14.109 12.029 1.628 1.00 0.00 N ATOM 811 CA GLY A 56 13.664 12.562 2.902 1.00 0.00 C ATOM 812 C GLY A 56 13.130 11.485 3.826 1.00 0.00 C ATOM 813 O GLY A 56 13.224 10.295 3.523 1.00 0.00 O ATOM 0 H GLY A 56 14.948 11.451 1.675 1.00 0.00 H new ATOM 0 HA2 GLY A 56 14.494 13.075 3.388 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.887 13.307 2.729 1.00 0.00 H new ATOM 817 N ASP A 57 12.572 11.901 4.957 1.00 0.00 N ATOM 818 CA ASP A 57 12.022 10.963 5.929 1.00 0.00 C ATOM 819 C ASP A 57 10.623 11.388 6.363 1.00 0.00 C ATOM 820 O ASP A 57 10.283 11.328 7.545 1.00 0.00 O ATOM 821 CB ASP A 57 12.940 10.863 7.149 1.00 0.00 C ATOM 822 CG ASP A 57 13.414 12.221 7.629 1.00 0.00 C ATOM 823 OD1 ASP A 57 12.637 12.908 8.324 1.00 0.00 O ATOM 824 OD2 ASP A 57 14.561 12.596 7.309 1.00 0.00 O ATOM 0 H ASP A 57 12.488 12.882 5.224 1.00 0.00 H new ATOM 0 HA ASP A 57 11.954 9.984 5.454 1.00 0.00 H new ATOM 0 HB2 ASP A 57 12.411 10.359 7.958 1.00 0.00 H new ATOM 0 HB3 ASP A 57 13.804 10.247 6.901 1.00 0.00 H new ATOM 829 N HIS A 58 9.815 11.818 5.399 1.00 0.00 N ATOM 830 CA HIS A 58 8.452 12.254 5.682 1.00 0.00 C ATOM 831 C HIS A 58 7.440 11.212 5.214 1.00 0.00 C ATOM 832 O HIS A 58 6.318 11.548 4.835 1.00 0.00 O ATOM 833 CB HIS A 58 8.171 13.595 5.002 1.00 0.00 C ATOM 834 CG HIS A 58 8.542 14.780 5.840 1.00 0.00 C ATOM 835 ND1 HIS A 58 7.628 15.728 6.249 1.00 0.00 N ATOM 836 CD2 HIS A 58 9.736 15.167 6.347 1.00 0.00 C ATOM 837 CE1 HIS A 58 8.244 16.648 6.970 1.00 0.00 C ATOM 838 NE2 HIS A 58 9.523 16.330 7.045 1.00 0.00 N ATOM 0 H HIS A 58 10.080 11.874 4.416 1.00 0.00 H new ATOM 0 HA HIS A 58 8.352 12.374 6.761 1.00 0.00 H new ATOM 0 HB2 HIS A 58 8.721 13.639 4.062 1.00 0.00 H new ATOM 0 HB3 HIS A 58 7.111 13.653 4.755 1.00 0.00 H new ATOM 0 HD2 HIS A 58 10.680 14.656 6.225 1.00 0.00 H new ATOM 0 HE1 HIS A 58 7.780 17.513 7.421 1.00 0.00 H new ATOM 0 HE2 HIS A 58 10.238 16.862 7.541 1.00 0.00 H new ATOM 846 N ILE A 59 7.845 9.946 5.244 1.00 0.00 N ATOM 847 CA ILE A 59 6.974 8.856 4.824 1.00 0.00 C ATOM 848 C ILE A 59 6.666 7.919 5.987 1.00 0.00 C ATOM 849 O ILE A 59 7.490 7.729 6.881 1.00 0.00 O ATOM 850 CB ILE A 59 7.603 8.043 3.677 1.00 0.00 C ATOM 851 CG1 ILE A 59 7.773 8.920 2.434 1.00 0.00 C ATOM 852 CG2 ILE A 59 6.747 6.826 3.359 1.00 0.00 C ATOM 853 CD1 ILE A 59 6.507 9.638 2.024 1.00 0.00 C ATOM 0 H ILE A 59 8.771 9.651 5.555 1.00 0.00 H new ATOM 0 HA ILE A 59 6.048 9.310 4.471 1.00 0.00 H new ATOM 0 HB ILE A 59 8.588 7.698 3.993 1.00 0.00 H new ATOM 0 HG12 ILE A 59 8.554 9.657 2.623 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.114 8.299 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 59 7.205 6.262 2.546 1.00 0.00 H new ATOM 0 HG22 ILE A 59 6.672 6.193 4.243 1.00 0.00 H new ATOM 0 HG23 ILE A 59 5.750 7.150 3.059 1.00 0.00 H new ATOM 0 HD11 ILE A 59 6.701 10.240 1.137 1.00 0.00 H new ATOM 0 HD12 ILE A 59 5.729 8.907 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 59 6.176 10.285 2.836 1.00 0.00 H new ATOM 865 N LYS A 60 5.473 7.334 5.968 1.00 0.00 N ATOM 866 CA LYS A 60 5.055 6.414 7.018 1.00 0.00 C ATOM 867 C LYS A 60 3.952 5.484 6.520 1.00 0.00 C ATOM 868 O LYS A 60 2.989 5.928 5.896 1.00 0.00 O ATOM 869 CB LYS A 60 4.566 7.192 8.242 1.00 0.00 C ATOM 870 CG LYS A 60 4.448 6.342 9.496 1.00 0.00 C ATOM 871 CD LYS A 60 5.724 6.384 10.320 1.00 0.00 C ATOM 872 CE LYS A 60 6.674 5.261 9.932 1.00 0.00 C ATOM 873 NZ LYS A 60 7.861 5.205 10.829 1.00 0.00 N ATOM 0 H LYS A 60 4.778 7.481 5.236 1.00 0.00 H new ATOM 0 HA LYS A 60 5.917 5.809 7.300 1.00 0.00 H new ATOM 0 HB2 LYS A 60 5.252 8.017 8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.594 7.631 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 60 3.612 6.696 10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.227 5.311 9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 60 6.218 7.345 10.179 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.478 6.304 11.379 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.145 4.309 9.969 1.00 0.00 H new ATOM 0 HE3 LYS A 60 7.003 5.403 8.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 8.484 4.427 10.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 8.380 6.105 10.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 7.549 5.044 11.808 1.00 0.00 H new ATOM 887 N ALA A 61 4.101 4.194 6.802 1.00 0.00 N ATOM 888 CA ALA A 61 3.116 3.203 6.385 1.00 0.00 C ATOM 889 C ALA A 61 2.571 2.434 7.584 1.00 0.00 C ATOM 890 O ALA A 61 3.223 2.343 8.625 1.00 0.00 O ATOM 891 CB ALA A 61 3.727 2.245 5.374 1.00 0.00 C ATOM 0 H ALA A 61 4.894 3.811 7.317 1.00 0.00 H new ATOM 0 HA ALA A 61 2.285 3.728 5.914 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.981 1.511 5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 61 4.062 2.803 4.500 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.577 1.733 5.825 1.00 0.00 H new ATOM 897 N HIS A 62 1.372 1.881 7.431 1.00 0.00 N ATOM 898 CA HIS A 62 0.739 1.119 8.502 1.00 0.00 C ATOM 899 C HIS A 62 -0.113 -0.012 7.933 1.00 0.00 C ATOM 900 O HIS A 62 -1.201 0.221 7.408 1.00 0.00 O ATOM 901 CB HIS A 62 -0.124 2.037 9.368 1.00 0.00 C ATOM 902 CG HIS A 62 -0.717 1.351 10.561 1.00 0.00 C ATOM 903 ND1 HIS A 62 -2.038 0.965 10.627 1.00 0.00 N ATOM 904 CD2 HIS A 62 -0.158 0.982 11.737 1.00 0.00 C ATOM 905 CE1 HIS A 62 -2.268 0.389 11.794 1.00 0.00 C ATOM 906 NE2 HIS A 62 -1.143 0.386 12.486 1.00 0.00 N ATOM 0 H HIS A 62 0.819 1.946 6.576 1.00 0.00 H new ATOM 0 HA HIS A 62 1.525 0.684 9.119 1.00 0.00 H new ATOM 0 HB2 HIS A 62 0.481 2.878 9.706 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -0.929 2.448 8.758 1.00 0.00 H new ATOM 0 HD1 HIS A 62 -2.730 1.102 9.890 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.871 1.129 12.032 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -3.215 -0.011 12.125 1.00 0.00 H new ATOM 914 N ILE A 63 0.391 -1.237 8.042 1.00 0.00 N ATOM 915 CA ILE A 63 -0.323 -2.404 7.539 1.00 0.00 C ATOM 916 C ILE A 63 -1.359 -2.891 8.547 1.00 0.00 C ATOM 917 O ILE A 63 -1.140 -2.829 9.756 1.00 0.00 O ATOM 918 CB ILE A 63 0.642 -3.558 7.214 1.00 0.00 C ATOM 919 CG1 ILE A 63 1.658 -3.121 6.156 1.00 0.00 C ATOM 920 CG2 ILE A 63 -0.132 -4.779 6.739 1.00 0.00 C ATOM 921 CD1 ILE A 63 2.792 -4.103 5.965 1.00 0.00 C ATOM 0 H ILE A 63 1.291 -1.447 8.474 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.827 -2.095 6.623 1.00 0.00 H new ATOM 0 HB ILE A 63 1.183 -3.825 8.122 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.143 -2.983 5.205 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.071 -2.152 6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.565 -5.586 6.513 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.819 -5.101 7.521 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -0.697 -4.525 5.842 1.00 0.00 H new ATOM 0 HD11 ILE A 63 3.473 -3.728 5.201 1.00 0.00 H new ATOM 0 HD12 ILE A 63 3.332 -4.223 6.904 1.00 0.00 H new ATOM 0 HD13 ILE A 63 2.390 -5.067 5.652 1.00 0.00 H new ATOM 933 N ALA A 64 -2.488 -3.376 8.039 1.00 0.00 N ATOM 934 CA ALA A 64 -3.556 -3.877 8.895 1.00 0.00 C ATOM 935 C ALA A 64 -4.085 -5.214 8.386 1.00 0.00 C ATOM 936 O ALA A 64 -4.854 -5.263 7.427 1.00 0.00 O ATOM 937 CB ALA A 64 -4.684 -2.859 8.982 1.00 0.00 C ATOM 0 H ALA A 64 -2.686 -3.432 7.040 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.146 -4.034 9.893 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -5.475 -3.246 9.624 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -4.302 -1.927 9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.084 -2.674 7.985 1.00 0.00 H new ATOM 943 N ASN A 65 -3.667 -6.296 9.035 1.00 0.00 N ATOM 944 CA ASN A 65 -4.098 -7.634 8.647 1.00 0.00 C ATOM 945 C ASN A 65 -5.610 -7.782 8.791 1.00 0.00 C ATOM 946 O ASN A 65 -6.253 -7.092 9.583 1.00 0.00 O ATOM 947 CB ASN A 65 -3.388 -8.688 9.498 1.00 0.00 C ATOM 948 CG ASN A 65 -1.942 -8.887 9.085 1.00 0.00 C ATOM 949 OD1 ASN A 65 -1.531 -8.469 8.003 1.00 0.00 O ATOM 950 ND2 ASN A 65 -1.163 -9.528 9.949 1.00 0.00 N ATOM 0 H ASN A 65 -3.031 -6.272 9.832 1.00 0.00 H new ATOM 0 HA ASN A 65 -3.834 -7.784 7.600 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.426 -8.391 10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.920 -9.636 9.416 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -0.181 -9.691 9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -1.547 -9.857 10.835 1.00 0.00 H new ATOM 957 N PRO A 66 -6.191 -8.702 8.009 1.00 0.00 N ATOM 958 CA PRO A 66 -7.634 -8.963 8.032 1.00 0.00 C ATOM 959 C PRO A 66 -8.080 -9.638 9.324 1.00 0.00 C ATOM 960 O PRO A 66 -9.261 -9.937 9.504 1.00 0.00 O ATOM 961 CB PRO A 66 -7.844 -9.900 6.839 1.00 0.00 C ATOM 962 CG PRO A 66 -6.527 -10.571 6.649 1.00 0.00 C ATOM 963 CD PRO A 66 -5.486 -9.560 7.041 1.00 0.00 C ATOM 0 HA PRO A 66 -8.216 -8.043 7.977 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -8.633 -10.625 7.039 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -8.139 -9.346 5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -6.453 -11.467 7.266 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -6.395 -10.885 5.614 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -4.612 -10.035 7.487 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -5.135 -8.991 6.181 1.00 0.00 H new ATOM 971 N SER A 67 -7.129 -9.873 10.223 1.00 0.00 N ATOM 972 CA SER A 67 -7.425 -10.516 11.498 1.00 0.00 C ATOM 973 C SER A 67 -7.341 -9.512 12.644 1.00 0.00 C ATOM 974 O SER A 67 -7.973 -9.687 13.685 1.00 0.00 O ATOM 975 CB SER A 67 -6.456 -11.673 11.747 1.00 0.00 C ATOM 976 OG SER A 67 -6.783 -12.794 10.944 1.00 0.00 O ATOM 0 H SER A 67 -6.148 -9.628 10.092 1.00 0.00 H new ATOM 0 HA SER A 67 -8.442 -10.907 11.453 1.00 0.00 H new ATOM 0 HB2 SER A 67 -5.437 -11.351 11.530 1.00 0.00 H new ATOM 0 HB3 SER A 67 -6.484 -11.955 12.800 1.00 0.00 H new ATOM 0 HG SER A 67 -6.148 -13.519 11.120 1.00 0.00 H new ATOM 982 N GLY A 68 -6.554 -8.459 12.444 1.00 0.00 N ATOM 983 CA GLY A 68 -6.401 -7.442 13.468 1.00 0.00 C ATOM 984 C GLY A 68 -4.947 -7.116 13.747 1.00 0.00 C ATOM 985 O GLY A 68 -4.631 -6.031 14.234 1.00 0.00 O ATOM 0 H GLY A 68 -6.020 -8.292 11.591 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -6.920 -6.536 13.156 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.877 -7.782 14.388 1.00 0.00 H new ATOM 989 N ALA A 69 -4.061 -8.057 13.441 1.00 0.00 N ATOM 990 CA ALA A 69 -2.633 -7.864 13.661 1.00 0.00 C ATOM 991 C ALA A 69 -2.072 -6.800 12.724 1.00 0.00 C ATOM 992 O ALA A 69 -2.738 -6.379 11.778 1.00 0.00 O ATOM 993 CB ALA A 69 -1.888 -9.178 13.478 1.00 0.00 C ATOM 0 H ALA A 69 -4.307 -8.962 13.040 1.00 0.00 H new ATOM 0 HA ALA A 69 -2.492 -7.519 14.685 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -0.823 -9.019 13.645 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -2.262 -9.911 14.193 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.045 -9.547 12.464 1.00 0.00 H new ATOM 999 N SER A 70 -0.844 -6.369 12.994 1.00 0.00 N ATOM 1000 CA SER A 70 -0.195 -5.351 12.176 1.00 0.00 C ATOM 1001 C SER A 70 1.227 -5.770 11.813 1.00 0.00 C ATOM 1002 O SER A 70 2.009 -6.171 12.676 1.00 0.00 O ATOM 1003 CB SER A 70 -0.170 -4.012 12.917 1.00 0.00 C ATOM 1004 OG SER A 70 0.395 -4.154 14.208 1.00 0.00 O ATOM 0 H SER A 70 -0.279 -6.709 13.772 1.00 0.00 H new ATOM 0 HA SER A 70 -0.768 -5.240 11.256 1.00 0.00 H new ATOM 0 HB2 SER A 70 0.405 -3.286 12.343 1.00 0.00 H new ATOM 0 HB3 SER A 70 -1.184 -3.621 13.001 1.00 0.00 H new ATOM 0 HG SER A 70 0.401 -3.284 14.660 1.00 0.00 H new ATOM 1010 N THR A 71 1.555 -5.676 10.529 1.00 0.00 N ATOM 1011 CA THR A 71 2.880 -6.046 10.049 1.00 0.00 C ATOM 1012 C THR A 71 3.855 -4.881 10.173 1.00 0.00 C ATOM 1013 O THR A 71 3.508 -3.736 9.883 1.00 0.00 O ATOM 1014 CB THR A 71 2.838 -6.510 8.581 1.00 0.00 C ATOM 1015 OG1 THR A 71 1.830 -7.513 8.414 1.00 0.00 O ATOM 1016 CG2 THR A 71 4.187 -7.063 8.149 1.00 0.00 C ATOM 0 H THR A 71 0.920 -5.346 9.802 1.00 0.00 H new ATOM 0 HA THR A 71 3.222 -6.871 10.673 1.00 0.00 H new ATOM 0 HB THR A 71 2.600 -5.648 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 71 1.808 -7.802 7.478 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.132 -7.384 7.109 1.00 0.00 H new ATOM 0 HG22 THR A 71 4.947 -6.288 8.250 1.00 0.00 H new ATOM 0 HG23 THR A 71 4.450 -7.914 8.778 1.00 0.00 H new ATOM 1024 N GLU A 72 5.076 -5.180 10.606 1.00 0.00 N ATOM 1025 CA GLU A 72 6.101 -4.155 10.768 1.00 0.00 C ATOM 1026 C GLU A 72 6.593 -3.658 9.412 1.00 0.00 C ATOM 1027 O GLU A 72 6.936 -4.452 8.535 1.00 0.00 O ATOM 1028 CB GLU A 72 7.277 -4.703 11.580 1.00 0.00 C ATOM 1029 CG GLU A 72 8.051 -3.630 12.328 1.00 0.00 C ATOM 1030 CD GLU A 72 9.111 -4.209 13.245 1.00 0.00 C ATOM 1031 OE1 GLU A 72 8.850 -5.263 13.863 1.00 0.00 O ATOM 1032 OE2 GLU A 72 10.202 -3.609 13.345 1.00 0.00 O ATOM 0 H GLU A 72 5.379 -6.123 10.851 1.00 0.00 H new ATOM 0 HA GLU A 72 5.658 -3.316 11.304 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.904 -5.436 12.296 1.00 0.00 H new ATOM 0 HB3 GLU A 72 7.957 -5.229 10.910 1.00 0.00 H new ATOM 0 HG2 GLU A 72 8.524 -2.960 11.609 1.00 0.00 H new ATOM 0 HG3 GLU A 72 7.357 -3.029 12.915 1.00 0.00 H new ATOM 1039 N CYS A 73 6.623 -2.340 9.247 1.00 0.00 N ATOM 1040 CA CYS A 73 7.072 -1.736 7.997 1.00 0.00 C ATOM 1041 C CYS A 73 8.383 -0.984 8.197 1.00 0.00 C ATOM 1042 O CYS A 73 8.597 -0.352 9.232 1.00 0.00 O ATOM 1043 CB CYS A 73 6.003 -0.787 7.453 1.00 0.00 C ATOM 1044 SG CYS A 73 5.546 0.541 8.592 1.00 0.00 S ATOM 0 H CYS A 73 6.342 -1.670 9.962 1.00 0.00 H new ATOM 0 HA CYS A 73 7.240 -2.535 7.275 1.00 0.00 H new ATOM 0 HB2 CYS A 73 6.363 -0.346 6.523 1.00 0.00 H new ATOM 0 HB3 CYS A 73 5.111 -1.364 7.208 1.00 0.00 H new ATOM 0 HG CYS A 73 4.324 0.916 8.354 1.00 0.00 H new ATOM 1050 N PHE A 74 9.259 -1.057 7.200 1.00 0.00 N ATOM 1051 CA PHE A 74 10.552 -0.385 7.267 1.00 0.00 C ATOM 1052 C PHE A 74 10.741 0.549 6.076 1.00 0.00 C ATOM 1053 O PHE A 74 10.976 0.102 4.953 1.00 0.00 O ATOM 1054 CB PHE A 74 11.684 -1.414 7.308 1.00 0.00 C ATOM 1055 CG PHE A 74 11.576 -2.379 8.454 1.00 0.00 C ATOM 1056 CD1 PHE A 74 10.590 -3.352 8.467 1.00 0.00 C ATOM 1057 CD2 PHE A 74 12.461 -2.312 9.519 1.00 0.00 C ATOM 1058 CE1 PHE A 74 10.488 -4.242 9.520 1.00 0.00 C ATOM 1059 CE2 PHE A 74 12.364 -3.199 10.574 1.00 0.00 C ATOM 1060 CZ PHE A 74 11.376 -4.165 10.576 1.00 0.00 C ATOM 0 H PHE A 74 9.097 -1.575 6.336 1.00 0.00 H new ATOM 0 HA PHE A 74 10.578 0.209 8.180 1.00 0.00 H new ATOM 0 HB2 PHE A 74 11.690 -1.973 6.372 1.00 0.00 H new ATOM 0 HB3 PHE A 74 12.638 -0.891 7.373 1.00 0.00 H new ATOM 0 HD1 PHE A 74 9.893 -3.416 7.645 1.00 0.00 H new ATOM 0 HD2 PHE A 74 13.235 -1.558 9.524 1.00 0.00 H new ATOM 0 HE1 PHE A 74 9.715 -4.997 9.517 1.00 0.00 H new ATOM 0 HE2 PHE A 74 13.060 -3.137 11.397 1.00 0.00 H new ATOM 0 HZ PHE A 74 11.298 -4.858 11.401 1.00 0.00 H new ATOM 1070 N VAL A 75 10.637 1.850 6.330 1.00 0.00 N ATOM 1071 CA VAL A 75 10.797 2.849 5.280 1.00 0.00 C ATOM 1072 C VAL A 75 12.270 3.105 4.985 1.00 0.00 C ATOM 1073 O VAL A 75 13.076 3.285 5.900 1.00 0.00 O ATOM 1074 CB VAL A 75 10.121 4.179 5.663 1.00 0.00 C ATOM 1075 CG1 VAL A 75 10.335 5.219 4.574 1.00 0.00 C ATOM 1076 CG2 VAL A 75 8.638 3.967 5.926 1.00 0.00 C ATOM 0 H VAL A 75 10.443 2.236 7.254 1.00 0.00 H new ATOM 0 HA VAL A 75 10.316 2.450 4.387 1.00 0.00 H new ATOM 0 HB VAL A 75 10.579 4.549 6.580 1.00 0.00 H new ATOM 0 HG11 VAL A 75 9.851 6.152 4.862 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.403 5.391 4.440 1.00 0.00 H new ATOM 0 HG13 VAL A 75 9.905 4.860 3.639 1.00 0.00 H new ATOM 0 HG21 VAL A 75 8.177 4.917 6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 75 8.162 3.574 5.028 1.00 0.00 H new ATOM 0 HG23 VAL A 75 8.511 3.258 6.744 1.00 0.00 H new ATOM 1086 N THR A 76 12.618 3.123 3.702 1.00 0.00 N ATOM 1087 CA THR A 76 13.995 3.357 3.287 1.00 0.00 C ATOM 1088 C THR A 76 14.073 4.464 2.241 1.00 0.00 C ATOM 1089 O THR A 76 13.627 4.291 1.106 1.00 0.00 O ATOM 1090 CB THR A 76 14.634 2.078 2.713 1.00 0.00 C ATOM 1091 OG1 THR A 76 14.643 1.047 3.706 1.00 0.00 O ATOM 1092 CG2 THR A 76 16.055 2.348 2.242 1.00 0.00 C ATOM 0 H THR A 76 11.964 2.978 2.932 1.00 0.00 H new ATOM 0 HA THR A 76 14.546 3.662 4.177 1.00 0.00 H new ATOM 0 HB THR A 76 14.040 1.753 1.858 1.00 0.00 H new ATOM 0 HG1 THR A 76 15.049 0.237 3.333 1.00 0.00 H new ATOM 0 HG21 THR A 76 16.486 1.431 1.841 1.00 0.00 H new ATOM 0 HG22 THR A 76 16.042 3.113 1.465 1.00 0.00 H new ATOM 0 HG23 THR A 76 16.657 2.694 3.082 1.00 0.00 H new ATOM 1100 N ASP A 77 14.642 5.599 2.630 1.00 0.00 N ATOM 1101 CA ASP A 77 14.780 6.734 1.724 1.00 0.00 C ATOM 1102 C ASP A 77 16.043 6.604 0.879 1.00 0.00 C ATOM 1103 O ASP A 77 17.156 6.607 1.403 1.00 0.00 O ATOM 1104 CB ASP A 77 14.813 8.043 2.515 1.00 0.00 C ATOM 1105 CG ASP A 77 15.709 7.960 3.735 1.00 0.00 C ATOM 1106 OD1 ASP A 77 16.946 7.952 3.563 1.00 0.00 O ATOM 1107 OD2 ASP A 77 15.173 7.904 4.861 1.00 0.00 O ATOM 0 H ASP A 77 15.015 5.758 3.566 1.00 0.00 H new ATOM 0 HA ASP A 77 13.918 6.743 1.057 1.00 0.00 H new ATOM 0 HB2 ASP A 77 15.161 8.847 1.867 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.801 8.301 2.828 1.00 0.00 H new ATOM 1112 N ASN A 78 15.861 6.490 -0.433 1.00 0.00 N ATOM 1113 CA ASN A 78 16.986 6.357 -1.352 1.00 0.00 C ATOM 1114 C ASN A 78 17.605 7.718 -1.654 1.00 0.00 C ATOM 1115 O ASN A 78 18.453 7.844 -2.538 1.00 0.00 O ATOM 1116 CB ASN A 78 16.534 5.690 -2.652 1.00 0.00 C ATOM 1117 CG ASN A 78 16.118 4.246 -2.446 1.00 0.00 C ATOM 1118 OD1 ASN A 78 16.959 3.363 -2.280 1.00 0.00 O ATOM 1119 ND2 ASN A 78 14.813 4.000 -2.457 1.00 0.00 N ATOM 0 H ASN A 78 14.946 6.487 -0.883 1.00 0.00 H new ATOM 0 HA ASN A 78 17.741 5.732 -0.875 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.699 6.250 -3.073 1.00 0.00 H new ATOM 0 HB3 ASN A 78 17.345 5.732 -3.380 1.00 0.00 H new ATOM 0 HD21 ASN A 78 14.472 3.048 -2.324 1.00 0.00 H new ATOM 0 HD22 ASN A 78 14.151 4.763 -2.598 1.00 0.00 H new ATOM 1126 N ALA A 79 17.175 8.735 -0.914 1.00 0.00 N ATOM 1127 CA ALA A 79 17.689 10.087 -1.101 1.00 0.00 C ATOM 1128 C ALA A 79 17.820 10.424 -2.583 1.00 0.00 C ATOM 1129 O ALA A 79 18.712 11.172 -2.982 1.00 0.00 O ATOM 1130 CB ALA A 79 19.031 10.243 -0.401 1.00 0.00 C ATOM 0 H ALA A 79 16.472 8.649 -0.180 1.00 0.00 H new ATOM 0 HA ALA A 79 16.978 10.784 -0.658 1.00 0.00 H new ATOM 0 HB1 ALA A 79 19.403 11.257 -0.549 1.00 0.00 H new ATOM 0 HB2 ALA A 79 18.909 10.053 0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 79 19.744 9.531 -0.817 1.00 0.00 H new ATOM 1136 N ASP A 80 16.927 9.867 -3.393 1.00 0.00 N ATOM 1137 CA ASP A 80 16.943 10.109 -4.831 1.00 0.00 C ATOM 1138 C ASP A 80 15.569 10.555 -5.322 1.00 0.00 C ATOM 1139 O ASP A 80 15.306 10.579 -6.523 1.00 0.00 O ATOM 1140 CB ASP A 80 17.380 8.848 -5.577 1.00 0.00 C ATOM 1141 CG ASP A 80 17.798 9.136 -7.005 1.00 0.00 C ATOM 1142 OD1 ASP A 80 18.673 10.005 -7.204 1.00 0.00 O ATOM 1143 OD2 ASP A 80 17.251 8.492 -7.925 1.00 0.00 O ATOM 0 H ASP A 80 16.183 9.245 -3.078 1.00 0.00 H new ATOM 0 HA ASP A 80 17.658 10.907 -5.032 1.00 0.00 H new ATOM 0 HB2 ASP A 80 18.211 8.384 -5.045 1.00 0.00 H new ATOM 0 HB3 ASP A 80 16.561 8.129 -5.579 1.00 0.00 H new ATOM 1148 N GLY A 81 14.696 10.908 -4.383 1.00 0.00 N ATOM 1149 CA GLY A 81 13.360 11.347 -4.740 1.00 0.00 C ATOM 1150 C GLY A 81 12.352 10.214 -4.720 1.00 0.00 C ATOM 1151 O GLY A 81 11.266 10.328 -5.288 1.00 0.00 O ATOM 0 H GLY A 81 14.890 10.898 -3.382 1.00 0.00 H new ATOM 0 HA2 GLY A 81 13.040 12.126 -4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.381 11.793 -5.734 1.00 0.00 H new ATOM 1155 N THR A 82 12.713 9.115 -4.064 1.00 0.00 N ATOM 1156 CA THR A 82 11.834 7.956 -3.974 1.00 0.00 C ATOM 1157 C THR A 82 11.976 7.262 -2.624 1.00 0.00 C ATOM 1158 O THR A 82 12.997 7.398 -1.949 1.00 0.00 O ATOM 1159 CB THR A 82 12.128 6.940 -5.094 1.00 0.00 C ATOM 1160 OG1 THR A 82 13.492 6.513 -5.022 1.00 0.00 O ATOM 1161 CG2 THR A 82 11.852 7.548 -6.461 1.00 0.00 C ATOM 0 H THR A 82 13.608 9.004 -3.587 1.00 0.00 H new ATOM 0 HA THR A 82 10.814 8.323 -4.085 1.00 0.00 H new ATOM 0 HB THR A 82 11.472 6.080 -4.957 1.00 0.00 H new ATOM 0 HG1 THR A 82 13.670 5.866 -5.736 1.00 0.00 H new ATOM 0 HG21 THR A 82 12.067 6.813 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 82 10.805 7.845 -6.522 1.00 0.00 H new ATOM 0 HG23 THR A 82 12.486 8.423 -6.605 1.00 0.00 H new ATOM 1169 N TYR A 83 10.946 6.519 -2.235 1.00 0.00 N ATOM 1170 CA TYR A 83 10.956 5.804 -0.964 1.00 0.00 C ATOM 1171 C TYR A 83 10.752 4.308 -1.179 1.00 0.00 C ATOM 1172 O TYR A 83 10.069 3.891 -2.114 1.00 0.00 O ATOM 1173 CB TYR A 83 9.866 6.351 -0.040 1.00 0.00 C ATOM 1174 CG TYR A 83 9.975 7.838 0.210 1.00 0.00 C ATOM 1175 CD1 TYR A 83 9.353 8.751 -0.633 1.00 0.00 C ATOM 1176 CD2 TYR A 83 10.699 8.330 1.289 1.00 0.00 C ATOM 1177 CE1 TYR A 83 9.450 10.111 -0.409 1.00 0.00 C ATOM 1178 CE2 TYR A 83 10.800 9.688 1.521 1.00 0.00 C ATOM 1179 CZ TYR A 83 10.174 10.575 0.670 1.00 0.00 C ATOM 1180 OH TYR A 83 10.273 11.928 0.897 1.00 0.00 O ATOM 0 H TYR A 83 10.094 6.396 -2.781 1.00 0.00 H new ATOM 0 HA TYR A 83 11.929 5.956 -0.498 1.00 0.00 H new ATOM 0 HB2 TYR A 83 8.890 6.135 -0.475 1.00 0.00 H new ATOM 0 HB3 TYR A 83 9.913 5.826 0.914 1.00 0.00 H new ATOM 0 HD1 TYR A 83 8.784 8.391 -1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 83 11.191 7.639 1.958 1.00 0.00 H new ATOM 0 HE1 TYR A 83 8.962 10.807 -1.075 1.00 0.00 H new ATOM 0 HE2 TYR A 83 11.366 10.054 2.365 1.00 0.00 H new ATOM 0 HH TYR A 83 11.097 12.269 0.490 1.00 0.00 H new ATOM 1190 N GLN A 84 11.350 3.504 -0.305 1.00 0.00 N ATOM 1191 CA GLN A 84 11.235 2.054 -0.398 1.00 0.00 C ATOM 1192 C GLN A 84 10.884 1.447 0.956 1.00 0.00 C ATOM 1193 O GLN A 84 11.704 1.437 1.875 1.00 0.00 O ATOM 1194 CB GLN A 84 12.541 1.450 -0.918 1.00 0.00 C ATOM 1195 CG GLN A 84 12.462 -0.047 -1.168 1.00 0.00 C ATOM 1196 CD GLN A 84 12.020 -0.381 -2.579 1.00 0.00 C ATOM 1197 OE1 GLN A 84 10.910 -1.100 -2.698 1.00 0.00 O flip ATOM 1198 NE2 GLN A 84 12.668 0.004 -3.553 1.00 0.00 N flip ATOM 0 H GLN A 84 11.919 3.833 0.475 1.00 0.00 H new ATOM 0 HA GLN A 84 10.432 1.823 -1.098 1.00 0.00 H new ATOM 0 HB2 GLN A 84 12.819 1.951 -1.845 1.00 0.00 H new ATOM 0 HB3 GLN A 84 13.335 1.648 -0.198 1.00 0.00 H new ATOM 0 HG2 GLN A 84 13.438 -0.495 -0.982 1.00 0.00 H new ATOM 0 HG3 GLN A 84 11.766 -0.494 -0.458 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.516 0.555 -3.416 1.00 0.00 H new ATOM 0 HE22 GLN A 84 12.357 -0.228 -4.496 1.00 0.00 H new ATOM 1207 N VAL A 85 9.660 0.943 1.074 1.00 0.00 N ATOM 1208 CA VAL A 85 9.201 0.333 2.317 1.00 0.00 C ATOM 1209 C VAL A 85 9.120 -1.184 2.188 1.00 0.00 C ATOM 1210 O VAL A 85 8.408 -1.706 1.331 1.00 0.00 O ATOM 1211 CB VAL A 85 7.821 0.877 2.731 1.00 0.00 C ATOM 1212 CG1 VAL A 85 7.356 0.224 4.024 1.00 0.00 C ATOM 1213 CG2 VAL A 85 7.866 2.390 2.875 1.00 0.00 C ATOM 0 H VAL A 85 8.968 0.945 0.324 1.00 0.00 H new ATOM 0 HA VAL A 85 9.931 0.590 3.085 1.00 0.00 H new ATOM 0 HB VAL A 85 7.103 0.631 1.949 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.379 0.621 4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.283 -0.854 3.881 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.072 0.437 4.817 1.00 0.00 H new ATOM 0 HG21 VAL A 85 6.882 2.757 3.168 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.596 2.661 3.637 1.00 0.00 H new ATOM 0 HG23 VAL A 85 8.152 2.838 1.923 1.00 0.00 H new ATOM 1223 N GLU A 86 9.854 -1.885 3.046 1.00 0.00 N ATOM 1224 CA GLU A 86 9.866 -3.343 3.027 1.00 0.00 C ATOM 1225 C GLU A 86 9.117 -3.908 4.231 1.00 0.00 C ATOM 1226 O GLU A 86 9.273 -3.429 5.354 1.00 0.00 O ATOM 1227 CB GLU A 86 11.304 -3.864 3.017 1.00 0.00 C ATOM 1228 CG GLU A 86 11.402 -5.380 2.990 1.00 0.00 C ATOM 1229 CD GLU A 86 12.760 -5.885 3.438 1.00 0.00 C ATOM 1230 OE1 GLU A 86 13.688 -5.913 2.604 1.00 0.00 O ATOM 1231 OE2 GLU A 86 12.894 -6.252 4.625 1.00 0.00 O ATOM 0 H GLU A 86 10.448 -1.467 3.763 1.00 0.00 H new ATOM 0 HA GLU A 86 9.362 -3.673 2.119 1.00 0.00 H new ATOM 0 HB2 GLU A 86 11.822 -3.459 2.148 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.823 -3.490 3.900 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.631 -5.802 3.635 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.202 -5.735 1.979 1.00 0.00 H new ATOM 1238 N TYR A 87 8.303 -4.929 3.987 1.00 0.00 N ATOM 1239 CA TYR A 87 7.527 -5.558 5.049 1.00 0.00 C ATOM 1240 C TYR A 87 7.258 -7.026 4.731 1.00 0.00 C ATOM 1241 O TYR A 87 7.124 -7.408 3.568 1.00 0.00 O ATOM 1242 CB TYR A 87 6.204 -4.818 5.250 1.00 0.00 C ATOM 1243 CG TYR A 87 5.170 -5.126 4.191 1.00 0.00 C ATOM 1244 CD1 TYR A 87 4.415 -6.291 4.247 1.00 0.00 C ATOM 1245 CD2 TYR A 87 4.947 -4.252 3.134 1.00 0.00 C ATOM 1246 CE1 TYR A 87 3.470 -6.577 3.280 1.00 0.00 C ATOM 1247 CE2 TYR A 87 4.004 -4.529 2.164 1.00 0.00 C ATOM 1248 CZ TYR A 87 3.268 -5.693 2.241 1.00 0.00 C ATOM 1249 OH TYR A 87 2.327 -5.974 1.278 1.00 0.00 O ATOM 0 H TYR A 87 8.163 -5.339 3.063 1.00 0.00 H new ATOM 0 HA TYR A 87 8.109 -5.505 5.969 1.00 0.00 H new ATOM 0 HB2 TYR A 87 5.798 -5.076 6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 87 6.395 -3.745 5.258 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.569 -6.985 5.060 1.00 0.00 H new ATOM 0 HD2 TYR A 87 5.521 -3.340 3.070 1.00 0.00 H new ATOM 0 HE1 TYR A 87 2.893 -7.488 3.338 1.00 0.00 H new ATOM 0 HE2 TYR A 87 3.844 -3.838 1.350 1.00 0.00 H new ATOM 0 HH TYR A 87 2.427 -5.348 0.530 1.00 0.00 H new ATOM 1259 N THR A 88 7.179 -7.846 5.774 1.00 0.00 N ATOM 1260 CA THR A 88 6.927 -9.272 5.609 1.00 0.00 C ATOM 1261 C THR A 88 5.668 -9.698 6.355 1.00 0.00 C ATOM 1262 O THR A 88 5.670 -9.876 7.574 1.00 0.00 O ATOM 1263 CB THR A 88 8.116 -10.115 6.107 1.00 0.00 C ATOM 1264 OG1 THR A 88 9.347 -9.539 5.656 1.00 0.00 O ATOM 1265 CG2 THR A 88 8.009 -11.549 5.611 1.00 0.00 C ATOM 0 H THR A 88 7.286 -7.546 6.743 1.00 0.00 H new ATOM 0 HA THR A 88 6.790 -9.447 4.542 1.00 0.00 H new ATOM 0 HB THR A 88 8.096 -10.123 7.197 1.00 0.00 H new ATOM 0 HG1 THR A 88 10.098 -10.079 5.978 1.00 0.00 H new ATOM 0 HG21 THR A 88 8.860 -12.125 5.976 1.00 0.00 H new ATOM 0 HG22 THR A 88 7.085 -11.994 5.980 1.00 0.00 H new ATOM 0 HG23 THR A 88 8.005 -11.558 4.521 1.00 0.00 H new ATOM 1273 N PRO A 89 4.566 -9.867 5.610 1.00 0.00 N ATOM 1274 CA PRO A 89 3.279 -10.276 6.182 1.00 0.00 C ATOM 1275 C PRO A 89 3.293 -11.722 6.665 1.00 0.00 C ATOM 1276 O PRO A 89 3.689 -12.628 5.932 1.00 0.00 O ATOM 1277 CB PRO A 89 2.304 -10.112 5.014 1.00 0.00 C ATOM 1278 CG PRO A 89 3.148 -10.247 3.794 1.00 0.00 C ATOM 1279 CD PRO A 89 4.490 -9.673 4.153 1.00 0.00 C ATOM 0 HA PRO A 89 3.017 -9.686 7.060 1.00 0.00 H new ATOM 0 HB2 PRO A 89 1.523 -10.872 5.041 1.00 0.00 H new ATOM 0 HB3 PRO A 89 1.807 -9.142 5.046 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.238 -11.291 3.495 1.00 0.00 H new ATOM 0 HG3 PRO A 89 2.707 -9.712 2.953 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.299 -10.189 3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.561 -8.619 3.884 1.00 0.00 H new ATOM 1287 N PHE A 90 2.858 -11.931 7.903 1.00 0.00 N ATOM 1288 CA PHE A 90 2.821 -13.268 8.485 1.00 0.00 C ATOM 1289 C PHE A 90 1.398 -13.820 8.490 1.00 0.00 C ATOM 1290 O PHE A 90 1.050 -14.657 9.321 1.00 0.00 O ATOM 1291 CB PHE A 90 3.375 -13.243 9.911 1.00 0.00 C ATOM 1292 CG PHE A 90 2.928 -12.049 10.706 1.00 0.00 C ATOM 1293 CD1 PHE A 90 1.627 -11.960 11.174 1.00 0.00 C ATOM 1294 CD2 PHE A 90 3.809 -11.017 10.986 1.00 0.00 C ATOM 1295 CE1 PHE A 90 1.213 -10.863 11.907 1.00 0.00 C ATOM 1296 CE2 PHE A 90 3.401 -9.919 11.718 1.00 0.00 C ATOM 1297 CZ PHE A 90 2.101 -9.841 12.178 1.00 0.00 C ATOM 0 H PHE A 90 2.526 -11.192 8.523 1.00 0.00 H new ATOM 0 HA PHE A 90 3.443 -13.920 7.873 1.00 0.00 H new ATOM 0 HB2 PHE A 90 3.066 -14.151 10.429 1.00 0.00 H new ATOM 0 HB3 PHE A 90 4.464 -13.255 9.870 1.00 0.00 H new ATOM 0 HD1 PHE A 90 0.928 -12.756 10.964 1.00 0.00 H new ATOM 0 HD2 PHE A 90 4.826 -11.072 10.628 1.00 0.00 H new ATOM 0 HE1 PHE A 90 0.196 -10.806 12.267 1.00 0.00 H new ATOM 0 HE2 PHE A 90 4.098 -9.122 11.931 1.00 0.00 H new ATOM 0 HZ PHE A 90 1.780 -8.982 12.749 1.00 0.00 H new ATOM 1307 N GLU A 91 0.582 -13.343 7.556 1.00 0.00 N ATOM 1308 CA GLU A 91 -0.803 -13.787 7.453 1.00 0.00 C ATOM 1309 C GLU A 91 -1.317 -13.643 6.024 1.00 0.00 C ATOM 1310 O GLU A 91 -1.195 -12.581 5.412 1.00 0.00 O ATOM 1311 CB GLU A 91 -1.691 -12.987 8.409 1.00 0.00 C ATOM 1312 CG GLU A 91 -1.809 -13.606 9.792 1.00 0.00 C ATOM 1313 CD GLU A 91 -2.473 -12.678 10.791 1.00 0.00 C ATOM 1314 OE1 GLU A 91 -3.686 -12.419 10.644 1.00 0.00 O ATOM 1315 OE2 GLU A 91 -1.780 -12.212 11.720 1.00 0.00 O ATOM 0 H GLU A 91 0.856 -12.649 6.860 1.00 0.00 H new ATOM 0 HA GLU A 91 -0.840 -14.841 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.290 -11.978 8.505 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -2.687 -12.895 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -2.382 -14.531 9.724 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -0.816 -13.872 10.153 1.00 0.00 H new ATOM 1322 N LYS A 92 -1.892 -14.718 5.496 1.00 0.00 N ATOM 1323 CA LYS A 92 -2.426 -14.713 4.139 1.00 0.00 C ATOM 1324 C LYS A 92 -3.803 -14.059 4.099 1.00 0.00 C ATOM 1325 O LYS A 92 -4.775 -14.603 4.620 1.00 0.00 O ATOM 1326 CB LYS A 92 -2.512 -16.142 3.599 1.00 0.00 C ATOM 1327 CG LYS A 92 -1.173 -16.857 3.550 1.00 0.00 C ATOM 1328 CD LYS A 92 -1.301 -18.243 2.941 1.00 0.00 C ATOM 1329 CE LYS A 92 0.012 -19.006 3.009 1.00 0.00 C ATOM 1330 NZ LYS A 92 0.246 -19.587 4.360 1.00 0.00 N ATOM 0 H LYS A 92 -2.000 -15.605 5.988 1.00 0.00 H new ATOM 0 HA LYS A 92 -1.750 -14.133 3.510 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -3.198 -16.716 4.222 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -2.938 -16.117 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -0.466 -16.267 2.967 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -0.766 -16.938 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -2.075 -18.802 3.466 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -1.619 -18.157 1.902 1.00 0.00 H new ATOM 0 HE2 LYS A 92 0.007 -19.804 2.266 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.834 -18.338 2.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 1.266 -19.592 4.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -0.247 -19.014 5.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -0.117 -20.561 4.386 1.00 0.00 H new ATOM 1344 N GLY A 93 -3.878 -12.887 3.474 1.00 0.00 N ATOM 1345 CA GLY A 93 -5.141 -12.179 3.375 1.00 0.00 C ATOM 1346 C GLY A 93 -4.968 -10.748 2.907 1.00 0.00 C ATOM 1347 O GLY A 93 -3.853 -10.312 2.617 1.00 0.00 O ATOM 0 H GLY A 93 -3.087 -12.416 3.035 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -5.797 -12.707 2.683 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -5.633 -12.183 4.347 1.00 0.00 H new ATOM 1351 N LEU A 94 -6.073 -10.015 2.829 1.00 0.00 N ATOM 1352 CA LEU A 94 -6.040 -8.624 2.391 1.00 0.00 C ATOM 1353 C LEU A 94 -5.821 -7.685 3.573 1.00 0.00 C ATOM 1354 O LEU A 94 -6.629 -7.639 4.500 1.00 0.00 O ATOM 1355 CB LEU A 94 -7.342 -8.264 1.673 1.00 0.00 C ATOM 1356 CG LEU A 94 -7.561 -6.778 1.386 1.00 0.00 C ATOM 1357 CD1 LEU A 94 -6.376 -6.200 0.628 1.00 0.00 C ATOM 1358 CD2 LEU A 94 -8.849 -6.570 0.604 1.00 0.00 C ATOM 0 H LEU A 94 -7.003 -10.361 3.063 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.206 -8.507 1.699 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.373 -8.805 0.727 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -8.177 -8.624 2.274 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.648 -6.253 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -6.550 -5.142 0.433 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -5.471 -6.315 1.225 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.256 -6.728 -0.318 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.988 -5.507 0.409 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.791 -7.108 -0.342 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -9.692 -6.946 1.184 1.00 0.00 H new ATOM 1370 N HIS A 95 -4.723 -6.937 3.531 1.00 0.00 N ATOM 1371 CA HIS A 95 -4.399 -5.996 4.598 1.00 0.00 C ATOM 1372 C HIS A 95 -4.650 -4.559 4.150 1.00 0.00 C ATOM 1373 O HIS A 95 -4.683 -4.267 2.955 1.00 0.00 O ATOM 1374 CB HIS A 95 -2.941 -6.161 5.027 1.00 0.00 C ATOM 1375 CG HIS A 95 -2.396 -7.534 4.781 1.00 0.00 C ATOM 1376 ND1 HIS A 95 -3.063 -8.685 5.144 1.00 0.00 N ATOM 1377 CD2 HIS A 95 -1.241 -7.938 4.203 1.00 0.00 C ATOM 1378 CE1 HIS A 95 -2.342 -9.737 4.802 1.00 0.00 C ATOM 1379 NE2 HIS A 95 -1.231 -9.311 4.228 1.00 0.00 N ATOM 0 H HIS A 95 -4.043 -6.964 2.771 1.00 0.00 H new ATOM 0 HA HIS A 95 -5.047 -6.212 5.448 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -2.329 -5.435 4.492 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -2.855 -5.930 6.089 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -0.470 -7.299 3.797 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -2.614 -10.770 4.964 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -0.487 -9.905 3.863 1.00 0.00 H new ATOM 1387 N VAL A 96 -4.828 -3.665 5.118 1.00 0.00 N ATOM 1388 CA VAL A 96 -5.076 -2.259 4.824 1.00 0.00 C ATOM 1389 C VAL A 96 -3.868 -1.401 5.181 1.00 0.00 C ATOM 1390 O VAL A 96 -3.597 -1.149 6.356 1.00 0.00 O ATOM 1391 CB VAL A 96 -6.308 -1.735 5.586 1.00 0.00 C ATOM 1392 CG1 VAL A 96 -6.489 -0.244 5.348 1.00 0.00 C ATOM 1393 CG2 VAL A 96 -7.555 -2.504 5.176 1.00 0.00 C ATOM 0 H VAL A 96 -4.805 -3.890 6.113 1.00 0.00 H new ATOM 0 HA VAL A 96 -5.264 -2.188 3.753 1.00 0.00 H new ATOM 0 HB VAL A 96 -6.147 -1.891 6.653 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -7.364 0.108 5.894 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.605 0.290 5.696 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -6.628 -0.060 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -8.416 -2.121 5.724 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -7.722 -2.382 4.106 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -7.422 -3.562 5.404 1.00 0.00 H new ATOM 1403 N VAL A 97 -3.143 -0.954 4.160 1.00 0.00 N ATOM 1404 CA VAL A 97 -1.964 -0.122 4.366 1.00 0.00 C ATOM 1405 C VAL A 97 -2.329 1.358 4.373 1.00 0.00 C ATOM 1406 O VAL A 97 -2.858 1.880 3.393 1.00 0.00 O ATOM 1407 CB VAL A 97 -0.904 -0.373 3.277 1.00 0.00 C ATOM 1408 CG1 VAL A 97 0.244 0.617 3.411 1.00 0.00 C ATOM 1409 CG2 VAL A 97 -0.395 -1.805 3.349 1.00 0.00 C ATOM 0 H VAL A 97 -3.352 -1.154 3.182 1.00 0.00 H new ATOM 0 HA VAL A 97 -1.550 -0.395 5.337 1.00 0.00 H new ATOM 0 HB VAL A 97 -1.368 -0.225 2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 97 0.983 0.424 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.137 1.633 3.306 1.00 0.00 H new ATOM 0 HG13 VAL A 97 0.710 0.504 4.390 1.00 0.00 H new ATOM 0 HG21 VAL A 97 0.353 -1.965 2.572 1.00 0.00 H new ATOM 0 HG22 VAL A 97 0.053 -1.983 4.327 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.226 -2.494 3.200 1.00 0.00 H new ATOM 1419 N GLU A 98 -2.043 2.027 5.485 1.00 0.00 N ATOM 1420 CA GLU A 98 -2.342 3.448 5.619 1.00 0.00 C ATOM 1421 C GLU A 98 -1.087 4.291 5.412 1.00 0.00 C ATOM 1422 O GLU A 98 -0.174 4.277 6.237 1.00 0.00 O ATOM 1423 CB GLU A 98 -2.943 3.738 6.996 1.00 0.00 C ATOM 1424 CG GLU A 98 -4.450 3.555 7.054 1.00 0.00 C ATOM 1425 CD GLU A 98 -4.965 3.405 8.472 1.00 0.00 C ATOM 1426 OE1 GLU A 98 -4.322 2.683 9.263 1.00 0.00 O ATOM 1427 OE2 GLU A 98 -6.012 4.007 8.791 1.00 0.00 O ATOM 0 H GLU A 98 -1.605 1.609 6.306 1.00 0.00 H new ATOM 0 HA GLU A 98 -3.068 3.714 4.850 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -2.477 3.082 7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -2.699 4.761 7.281 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -4.935 4.411 6.584 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -4.728 2.674 6.475 1.00 0.00 H new ATOM 1434 N VAL A 99 -1.049 5.022 4.303 1.00 0.00 N ATOM 1435 CA VAL A 99 0.093 5.872 3.986 1.00 0.00 C ATOM 1436 C VAL A 99 -0.204 7.333 4.303 1.00 0.00 C ATOM 1437 O VAL A 99 -1.302 7.826 4.043 1.00 0.00 O ATOM 1438 CB VAL A 99 0.489 5.750 2.502 1.00 0.00 C ATOM 1439 CG1 VAL A 99 1.746 6.557 2.217 1.00 0.00 C ATOM 1440 CG2 VAL A 99 0.685 4.290 2.122 1.00 0.00 C ATOM 0 H VAL A 99 -1.796 5.043 3.609 1.00 0.00 H new ATOM 0 HA VAL A 99 0.923 5.531 4.605 1.00 0.00 H new ATOM 0 HB VAL A 99 -0.319 6.155 1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.010 6.459 1.164 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.565 7.606 2.449 1.00 0.00 H new ATOM 0 HG13 VAL A 99 2.565 6.185 2.833 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.964 4.222 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 99 1.475 3.857 2.736 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -0.243 3.743 2.287 1.00 0.00 H new ATOM 1450 N THR A 100 0.783 8.023 4.867 1.00 0.00 N ATOM 1451 CA THR A 100 0.628 9.428 5.221 1.00 0.00 C ATOM 1452 C THR A 100 1.917 10.203 4.973 1.00 0.00 C ATOM 1453 O THR A 100 2.933 9.961 5.624 1.00 0.00 O ATOM 1454 CB THR A 100 0.218 9.594 6.696 1.00 0.00 C ATOM 1455 OG1 THR A 100 1.113 8.859 7.539 1.00 0.00 O ATOM 1456 CG2 THR A 100 -1.207 9.112 6.920 1.00 0.00 C ATOM 0 H THR A 100 1.698 7.631 5.088 1.00 0.00 H new ATOM 0 HA THR A 100 -0.162 9.829 4.585 1.00 0.00 H new ATOM 0 HB THR A 100 0.270 10.653 6.947 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.032 8.972 7.217 1.00 0.00 H new ATOM 0 HG21 THR A 100 -1.473 9.239 7.969 1.00 0.00 H new ATOM 0 HG22 THR A 100 -1.889 9.693 6.299 1.00 0.00 H new ATOM 0 HG23 THR A 100 -1.281 8.058 6.652 1.00 0.00 H new ATOM 1464 N TYR A 101 1.868 11.136 4.028 1.00 0.00 N ATOM 1465 CA TYR A 101 3.034 11.946 3.693 1.00 0.00 C ATOM 1466 C TYR A 101 2.973 13.302 4.388 1.00 0.00 C ATOM 1467 O TYR A 101 2.085 14.112 4.117 1.00 0.00 O ATOM 1468 CB TYR A 101 3.128 12.140 2.179 1.00 0.00 C ATOM 1469 CG TYR A 101 4.307 12.983 1.749 1.00 0.00 C ATOM 1470 CD1 TYR A 101 4.381 14.330 2.084 1.00 0.00 C ATOM 1471 CD2 TYR A 101 5.345 12.434 1.007 1.00 0.00 C ATOM 1472 CE1 TYR A 101 5.456 15.104 1.692 1.00 0.00 C ATOM 1473 CE2 TYR A 101 6.424 13.201 0.612 1.00 0.00 C ATOM 1474 CZ TYR A 101 6.475 14.536 0.957 1.00 0.00 C ATOM 1475 OH TYR A 101 7.548 15.303 0.565 1.00 0.00 O ATOM 0 H TYR A 101 1.034 11.350 3.481 1.00 0.00 H new ATOM 0 HA TYR A 101 3.923 11.420 4.041 1.00 0.00 H new ATOM 0 HB2 TYR A 101 3.196 11.164 1.700 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.209 12.606 1.823 1.00 0.00 H new ATOM 0 HD1 TYR A 101 3.585 14.779 2.660 1.00 0.00 H new ATOM 0 HD2 TYR A 101 5.308 11.390 0.734 1.00 0.00 H new ATOM 0 HE1 TYR A 101 5.498 16.149 1.960 1.00 0.00 H new ATOM 0 HE2 TYR A 101 7.223 12.758 0.036 1.00 0.00 H new ATOM 0 HH TYR A 101 7.700 16.013 1.223 1.00 0.00 H new ATOM 1485 N ASP A 102 3.922 13.543 5.285 1.00 0.00 N ATOM 1486 CA ASP A 102 3.979 14.802 6.019 1.00 0.00 C ATOM 1487 C ASP A 102 2.684 15.041 6.790 1.00 0.00 C ATOM 1488 O ASP A 102 2.134 16.142 6.773 1.00 0.00 O ATOM 1489 CB ASP A 102 4.238 15.965 5.060 1.00 0.00 C ATOM 1490 CG ASP A 102 4.839 17.169 5.758 1.00 0.00 C ATOM 1491 OD1 ASP A 102 4.633 17.310 6.982 1.00 0.00 O ATOM 1492 OD2 ASP A 102 5.516 17.970 5.081 1.00 0.00 O ATOM 0 H ASP A 102 4.663 12.883 5.522 1.00 0.00 H new ATOM 0 HA ASP A 102 4.800 14.741 6.733 1.00 0.00 H new ATOM 0 HB2 ASP A 102 4.910 15.636 4.267 1.00 0.00 H new ATOM 0 HB3 ASP A 102 3.301 16.255 4.584 1.00 0.00 H new ATOM 1497 N ASP A 103 2.203 14.002 7.464 1.00 0.00 N ATOM 1498 CA ASP A 103 0.973 14.098 8.241 1.00 0.00 C ATOM 1499 C ASP A 103 -0.227 14.341 7.331 1.00 0.00 C ATOM 1500 O ASP A 103 -1.202 14.979 7.728 1.00 0.00 O ATOM 1501 CB ASP A 103 1.083 15.223 9.272 1.00 0.00 C ATOM 1502 CG ASP A 103 2.280 15.055 10.187 1.00 0.00 C ATOM 1503 OD1 ASP A 103 3.367 15.563 9.842 1.00 0.00 O ATOM 1504 OD2 ASP A 103 2.129 14.416 11.250 1.00 0.00 O ATOM 0 H ASP A 103 2.646 13.084 7.488 1.00 0.00 H new ATOM 0 HA ASP A 103 0.826 13.152 8.761 1.00 0.00 H new ATOM 0 HB2 ASP A 103 1.156 16.180 8.755 1.00 0.00 H new ATOM 0 HB3 ASP A 103 0.173 15.253 9.871 1.00 0.00 H new ATOM 1509 N VAL A 104 -0.149 13.828 6.107 1.00 0.00 N ATOM 1510 CA VAL A 104 -1.228 13.988 5.141 1.00 0.00 C ATOM 1511 C VAL A 104 -1.371 12.748 4.266 1.00 0.00 C ATOM 1512 O VAL A 104 -0.445 12.345 3.561 1.00 0.00 O ATOM 1513 CB VAL A 104 -0.996 15.215 4.239 1.00 0.00 C ATOM 1514 CG1 VAL A 104 -2.109 15.340 3.210 1.00 0.00 C ATOM 1515 CG2 VAL A 104 -0.890 16.480 5.078 1.00 0.00 C ATOM 0 H VAL A 104 0.651 13.298 5.761 1.00 0.00 H new ATOM 0 HA VAL A 104 -2.145 14.134 5.712 1.00 0.00 H new ATOM 0 HB VAL A 104 -0.055 15.080 3.706 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.928 16.212 2.582 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -2.133 14.445 2.589 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.065 15.453 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -0.726 17.337 4.425 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -1.813 16.623 5.639 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -0.054 16.388 5.772 1.00 0.00 H new ATOM 1525 N PRO A 105 -2.559 12.127 4.309 1.00 0.00 N ATOM 1526 CA PRO A 105 -2.852 10.924 3.525 1.00 0.00 C ATOM 1527 C PRO A 105 -2.949 11.214 2.031 1.00 0.00 C ATOM 1528 O PRO A 105 -3.263 12.333 1.626 1.00 0.00 O ATOM 1529 CB PRO A 105 -4.208 10.467 4.070 1.00 0.00 C ATOM 1530 CG PRO A 105 -4.837 11.706 4.607 1.00 0.00 C ATOM 1531 CD PRO A 105 -3.708 12.552 5.126 1.00 0.00 C ATOM 0 HA PRO A 105 -2.065 10.176 3.618 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -4.820 10.020 3.286 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -4.088 9.714 4.849 1.00 0.00 H new ATOM 0 HG2 PRO A 105 -5.392 12.230 3.829 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -5.546 11.471 5.401 1.00 0.00 H new ATOM 0 HD2 PRO A 105 -3.915 13.615 5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 105 -3.532 12.379 6.188 1.00 0.00 H new ATOM 1539 N ILE A 106 -2.676 10.200 1.217 1.00 0.00 N ATOM 1540 CA ILE A 106 -2.734 10.347 -0.232 1.00 0.00 C ATOM 1541 C ILE A 106 -4.091 9.911 -0.775 1.00 0.00 C ATOM 1542 O ILE A 106 -4.815 9.133 -0.154 1.00 0.00 O ATOM 1543 CB ILE A 106 -1.629 9.528 -0.925 1.00 0.00 C ATOM 1544 CG1 ILE A 106 -1.483 8.159 -0.258 1.00 0.00 C ATOM 1545 CG2 ILE A 106 -0.309 10.283 -0.890 1.00 0.00 C ATOM 1546 CD1 ILE A 106 -0.546 7.226 -0.991 1.00 0.00 C ATOM 0 H ILE A 106 -2.412 9.268 1.536 1.00 0.00 H new ATOM 0 HA ILE A 106 -2.582 11.404 -0.449 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.911 9.375 -1.967 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -1.121 8.297 0.761 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -2.465 7.692 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 106 0.462 9.691 -1.384 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -0.421 11.236 -1.407 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -0.020 10.463 0.145 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.491 6.275 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -0.917 7.057 -2.002 1.00 0.00 H new ATOM 0 HD13 ILE A 106 0.447 7.672 -1.039 1.00 0.00 H new ATOM 1558 N PRO A 107 -4.444 10.423 -1.963 1.00 0.00 N ATOM 1559 CA PRO A 107 -5.715 10.099 -2.618 1.00 0.00 C ATOM 1560 C PRO A 107 -5.761 8.658 -3.115 1.00 0.00 C ATOM 1561 O PRO A 107 -6.724 8.243 -3.757 1.00 0.00 O ATOM 1562 CB PRO A 107 -5.764 11.073 -3.798 1.00 0.00 C ATOM 1563 CG PRO A 107 -4.338 11.392 -4.086 1.00 0.00 C ATOM 1564 CD PRO A 107 -3.630 11.357 -2.759 1.00 0.00 C ATOM 0 HA PRO A 107 -6.560 10.191 -1.936 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -6.251 10.623 -4.663 1.00 0.00 H new ATOM 0 HB3 PRO A 107 -6.328 11.971 -3.546 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -3.908 10.667 -4.777 1.00 0.00 H new ATOM 0 HG3 PRO A 107 -4.244 12.372 -4.553 1.00 0.00 H new ATOM 0 HD2 PRO A 107 -2.602 11.008 -2.861 1.00 0.00 H new ATOM 0 HD3 PRO A 107 -3.587 12.345 -2.300 1.00 0.00 H new ATOM 1572 N ASN A 108 -4.712 7.899 -2.812 1.00 0.00 N ATOM 1573 CA ASN A 108 -4.633 6.504 -3.229 1.00 0.00 C ATOM 1574 C ASN A 108 -4.772 5.570 -2.030 1.00 0.00 C ATOM 1575 O ASN A 108 -5.164 4.412 -2.175 1.00 0.00 O ATOM 1576 CB ASN A 108 -3.307 6.238 -3.945 1.00 0.00 C ATOM 1577 CG ASN A 108 -2.893 7.390 -4.841 1.00 0.00 C ATOM 1578 OD1 ASN A 108 -1.917 8.087 -4.563 1.00 0.00 O ATOM 1579 ND2 ASN A 108 -3.637 7.595 -5.922 1.00 0.00 N ATOM 0 H ASN A 108 -3.906 8.227 -2.280 1.00 0.00 H new ATOM 0 HA ASN A 108 -5.455 6.309 -3.917 1.00 0.00 H new ATOM 0 HB2 ASN A 108 -2.527 6.058 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 108 -3.395 5.330 -4.542 1.00 0.00 H new ATOM 0 HD21 ASN A 108 -3.408 8.356 -6.562 1.00 0.00 H new ATOM 0 HD22 ASN A 108 -4.437 6.992 -6.112 1.00 0.00 H new ATOM 1586 N SER A 109 -4.449 6.082 -0.847 1.00 0.00 N ATOM 1587 CA SER A 109 -4.534 5.294 0.377 1.00 0.00 C ATOM 1588 C SER A 109 -5.916 5.422 1.010 1.00 0.00 C ATOM 1589 O SER A 109 -6.648 6.385 0.776 1.00 0.00 O ATOM 1590 CB SER A 109 -3.461 5.739 1.371 1.00 0.00 C ATOM 1591 OG SER A 109 -2.208 5.151 1.066 1.00 0.00 O ATOM 0 H SER A 109 -4.126 7.040 -0.710 1.00 0.00 H new ATOM 0 HA SER A 109 -4.367 4.248 0.119 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.371 6.825 1.352 1.00 0.00 H new ATOM 0 HB3 SER A 109 -3.760 5.462 2.382 1.00 0.00 H new ATOM 0 HG SER A 109 -2.291 4.607 0.255 1.00 0.00 H new ATOM 1597 N PRO A 110 -6.283 4.430 1.834 1.00 0.00 N ATOM 1598 CA PRO A 110 -5.421 3.279 2.121 1.00 0.00 C ATOM 1599 C PRO A 110 -5.268 2.356 0.917 1.00 0.00 C ATOM 1600 O PRO A 110 -5.896 2.563 -0.121 1.00 0.00 O ATOM 1601 CB PRO A 110 -6.154 2.561 3.256 1.00 0.00 C ATOM 1602 CG PRO A 110 -7.583 2.951 3.092 1.00 0.00 C ATOM 1603 CD PRO A 110 -7.569 4.353 2.549 1.00 0.00 C ATOM 0 HA PRO A 110 -4.406 3.583 2.377 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -6.028 1.480 3.187 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.770 2.865 4.230 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.097 2.273 2.410 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.112 2.906 4.044 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -8.411 4.534 1.881 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -7.630 5.093 3.347 1.00 0.00 H new ATOM 1611 N PHE A 111 -4.429 1.335 1.063 1.00 0.00 N ATOM 1612 CA PHE A 111 -4.193 0.380 -0.013 1.00 0.00 C ATOM 1613 C PHE A 111 -4.676 -1.013 0.381 1.00 0.00 C ATOM 1614 O PHE A 111 -4.940 -1.283 1.552 1.00 0.00 O ATOM 1615 CB PHE A 111 -2.705 0.335 -0.366 1.00 0.00 C ATOM 1616 CG PHE A 111 -2.232 1.541 -1.127 1.00 0.00 C ATOM 1617 CD1 PHE A 111 -2.641 1.756 -2.433 1.00 0.00 C ATOM 1618 CD2 PHE A 111 -1.379 2.458 -0.536 1.00 0.00 C ATOM 1619 CE1 PHE A 111 -2.208 2.865 -3.136 1.00 0.00 C ATOM 1620 CE2 PHE A 111 -0.943 3.569 -1.233 1.00 0.00 C ATOM 1621 CZ PHE A 111 -1.357 3.772 -2.535 1.00 0.00 C ATOM 0 H PHE A 111 -3.902 1.148 1.916 1.00 0.00 H new ATOM 0 HA PHE A 111 -4.757 0.708 -0.886 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -2.125 0.244 0.552 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -2.507 -0.559 -0.958 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -3.306 1.049 -2.907 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -1.051 2.303 0.481 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -2.535 3.022 -4.153 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -0.279 4.278 -0.760 1.00 0.00 H new ATOM 0 HZ PHE A 111 -1.016 4.638 -3.082 1.00 0.00 H new ATOM 1631 N LYS A 112 -4.790 -1.894 -0.607 1.00 0.00 N ATOM 1632 CA LYS A 112 -5.241 -3.260 -0.367 1.00 0.00 C ATOM 1633 C LYS A 112 -4.282 -4.267 -0.993 1.00 0.00 C ATOM 1634 O LYS A 112 -4.223 -4.407 -2.215 1.00 0.00 O ATOM 1635 CB LYS A 112 -6.649 -3.461 -0.931 1.00 0.00 C ATOM 1636 CG LYS A 112 -7.753 -3.073 0.037 1.00 0.00 C ATOM 1637 CD LYS A 112 -9.051 -2.767 -0.692 1.00 0.00 C ATOM 1638 CE LYS A 112 -9.169 -1.287 -1.022 1.00 0.00 C ATOM 1639 NZ LYS A 112 -10.586 -0.874 -1.221 1.00 0.00 N ATOM 0 H LYS A 112 -4.576 -1.686 -1.582 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.261 -3.425 0.710 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -6.753 -2.873 -1.843 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -6.773 -4.507 -1.211 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -7.916 -3.883 0.748 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -7.444 -2.201 0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -9.100 -3.351 -1.611 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -9.897 -3.072 -0.075 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -8.729 -0.699 -0.216 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.597 -1.069 -1.924 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -10.624 0.141 -1.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -10.999 -1.417 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -11.127 -1.058 -0.352 1.00 0.00 H new ATOM 1653 N VAL A 113 -3.533 -4.969 -0.148 1.00 0.00 N ATOM 1654 CA VAL A 113 -2.579 -5.966 -0.619 1.00 0.00 C ATOM 1655 C VAL A 113 -3.140 -7.376 -0.473 1.00 0.00 C ATOM 1656 O VAL A 113 -3.096 -7.963 0.608 1.00 0.00 O ATOM 1657 CB VAL A 113 -1.246 -5.873 0.148 1.00 0.00 C ATOM 1658 CG1 VAL A 113 -0.288 -6.961 -0.313 1.00 0.00 C ATOM 1659 CG2 VAL A 113 -0.626 -4.495 -0.027 1.00 0.00 C ATOM 0 H VAL A 113 -3.569 -4.865 0.866 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.398 -5.758 -1.674 1.00 0.00 H new ATOM 0 HB VAL A 113 -1.445 -6.024 1.209 1.00 0.00 H new ATOM 0 HG11 VAL A 113 0.648 -6.880 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -0.733 -7.939 -0.131 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -0.091 -6.845 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 113 0.315 -4.447 0.521 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -0.439 -4.312 -1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -1.309 -3.737 0.357 1.00 0.00 H new ATOM 1669 N ALA A 114 -3.667 -7.913 -1.568 1.00 0.00 N ATOM 1670 CA ALA A 114 -4.235 -9.256 -1.563 1.00 0.00 C ATOM 1671 C ALA A 114 -3.140 -10.315 -1.637 1.00 0.00 C ATOM 1672 O ALA A 114 -2.656 -10.647 -2.720 1.00 0.00 O ATOM 1673 CB ALA A 114 -5.211 -9.421 -2.718 1.00 0.00 C ATOM 0 H ALA A 114 -3.713 -7.439 -2.470 1.00 0.00 H new ATOM 0 HA ALA A 114 -4.774 -9.393 -0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.627 -10.428 -2.702 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -6.017 -8.694 -2.620 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -4.689 -9.259 -3.661 1.00 0.00 H new ATOM 1679 N VAL A 115 -2.754 -10.843 -0.480 1.00 0.00 N ATOM 1680 CA VAL A 115 -1.716 -11.865 -0.415 1.00 0.00 C ATOM 1681 C VAL A 115 -2.282 -13.243 -0.737 1.00 0.00 C ATOM 1682 O VAL A 115 -3.409 -13.568 -0.362 1.00 0.00 O ATOM 1683 CB VAL A 115 -1.055 -11.906 0.976 1.00 0.00 C ATOM 1684 CG1 VAL A 115 -0.052 -13.046 1.058 1.00 0.00 C ATOM 1685 CG2 VAL A 115 -0.387 -10.575 1.287 1.00 0.00 C ATOM 0 H VAL A 115 -3.144 -10.580 0.425 1.00 0.00 H new ATOM 0 HA VAL A 115 -0.964 -11.601 -1.159 1.00 0.00 H new ATOM 0 HB VAL A 115 -1.830 -12.082 1.722 1.00 0.00 H new ATOM 0 HG11 VAL A 115 0.404 -13.059 2.048 1.00 0.00 H new ATOM 0 HG12 VAL A 115 -0.562 -13.993 0.882 1.00 0.00 H new ATOM 0 HG13 VAL A 115 0.722 -12.905 0.303 1.00 0.00 H new ATOM 0 HG21 VAL A 115 0.075 -10.621 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 115 0.377 -10.368 0.538 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -1.134 -9.781 1.273 1.00 0.00 H new ATOM 1695 N THR A 116 -1.491 -14.053 -1.435 1.00 0.00 N ATOM 1696 CA THR A 116 -1.913 -15.397 -1.809 1.00 0.00 C ATOM 1697 C THR A 116 -0.935 -16.445 -1.288 1.00 0.00 C ATOM 1698 O THR A 116 0.247 -16.162 -1.095 1.00 0.00 O ATOM 1699 CB THR A 116 -2.037 -15.542 -3.337 1.00 0.00 C ATOM 1700 OG1 THR A 116 -2.432 -16.877 -3.672 1.00 0.00 O ATOM 1701 CG2 THR A 116 -0.719 -15.212 -4.021 1.00 0.00 C ATOM 0 H THR A 116 -0.555 -13.801 -1.752 1.00 0.00 H new ATOM 0 HA THR A 116 -2.891 -15.559 -1.356 1.00 0.00 H new ATOM 0 HB THR A 116 -2.795 -14.840 -3.686 1.00 0.00 H new ATOM 0 HG1 THR A 116 -2.510 -16.960 -4.645 1.00 0.00 H new ATOM 0 HG21 THR A 116 -0.831 -15.322 -5.100 1.00 0.00 H new ATOM 0 HG22 THR A 116 -0.435 -14.186 -3.788 1.00 0.00 H new ATOM 0 HG23 THR A 116 0.055 -15.892 -3.666 1.00 0.00 H new ATOM 1709 N GLU A 117 -1.436 -17.655 -1.063 1.00 0.00 N ATOM 1710 CA GLU A 117 -0.605 -18.745 -0.565 1.00 0.00 C ATOM 1711 C GLU A 117 0.615 -18.951 -1.458 1.00 0.00 C ATOM 1712 O GLU A 117 0.504 -19.457 -2.573 1.00 0.00 O ATOM 1713 CB GLU A 117 -1.417 -20.040 -0.485 1.00 0.00 C ATOM 1714 CG GLU A 117 -2.395 -20.075 0.677 1.00 0.00 C ATOM 1715 CD GLU A 117 -3.411 -21.193 0.551 1.00 0.00 C ATOM 1716 OE1 GLU A 117 -3.895 -21.431 -0.575 1.00 0.00 O ATOM 1717 OE2 GLU A 117 -3.722 -21.829 1.580 1.00 0.00 O ATOM 0 H GLU A 117 -2.413 -17.905 -1.217 1.00 0.00 H new ATOM 0 HA GLU A 117 -0.261 -18.478 0.434 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -1.968 -20.172 -1.416 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -0.732 -20.883 -0.398 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -1.842 -20.195 1.609 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -2.917 -19.120 0.737 1.00 0.00 H new