USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 563 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 SER OG : rot 150:sc= 0.246 USER MOD Single : A 16 LYS NZ :NH3+ 170:sc= -0.0118 (180deg=-0.136) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.148 X(o=0.15,f=-0.024) USER MOD Single : A 24 SER OG : rot 180:sc= -0.207 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 180:sc= 0.0434 USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.76! K(o=-1.8!,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -0.16 X(o=-0.16,f=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot -2:sc= 0.573! USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 40:sc= 1.31 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 ASN : amide:sc= -3.29! K(o=-3.3!,f=-2.1) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 CYS SG : rot 177:sc= -1.44 USER MOD Single : A 74 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.038) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 162 N SER A 15 -2.146 15.901 4.260 1.00 0.00 N ATOM 163 CA SER A 15 -1.428 14.874 5.006 1.00 0.00 C ATOM 164 C SER A 15 -0.622 13.983 4.066 1.00 0.00 C ATOM 165 O SER A 15 -1.064 13.664 2.961 1.00 0.00 O ATOM 166 CB SER A 15 -2.409 14.023 5.816 1.00 0.00 C ATOM 167 OG SER A 15 -1.730 13.014 6.542 1.00 0.00 O ATOM 0 HA SER A 15 -0.738 15.371 5.688 1.00 0.00 H new ATOM 0 HB2 SER A 15 -2.965 14.659 6.505 1.00 0.00 H new ATOM 0 HB3 SER A 15 -3.137 13.566 5.146 1.00 0.00 H new ATOM 0 HG SER A 15 -2.223 12.816 7.365 1.00 0.00 H new ATOM 173 N LYS A 16 0.564 13.583 4.512 1.00 0.00 N ATOM 174 CA LYS A 16 1.434 12.728 3.713 1.00 0.00 C ATOM 175 C LYS A 16 1.351 11.279 4.181 1.00 0.00 C ATOM 176 O LYS A 16 1.686 10.355 3.438 1.00 0.00 O ATOM 177 CB LYS A 16 2.881 13.219 3.795 1.00 0.00 C ATOM 178 CG LYS A 16 3.004 14.721 3.986 1.00 0.00 C ATOM 179 CD LYS A 16 4.362 15.102 4.552 1.00 0.00 C ATOM 180 CE LYS A 16 4.534 16.612 4.618 1.00 0.00 C ATOM 181 NZ LYS A 16 3.473 17.256 5.440 1.00 0.00 N ATOM 0 H LYS A 16 0.945 13.837 5.423 1.00 0.00 H new ATOM 0 HA LYS A 16 1.098 12.777 2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 16 3.381 12.714 4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.405 12.933 2.883 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.853 15.224 3.031 1.00 0.00 H new ATOM 0 HG3 LYS A 16 2.219 15.069 4.657 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.474 14.678 5.550 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.149 14.672 3.933 1.00 0.00 H new ATOM 0 HE2 LYS A 16 5.512 16.848 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.512 17.024 3.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 3.717 18.254 5.601 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 2.563 17.198 4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.397 16.766 6.354 1.00 0.00 H new ATOM 195 N THR A 17 0.900 11.085 5.417 1.00 0.00 N ATOM 196 CA THR A 17 0.772 9.748 5.983 1.00 0.00 C ATOM 197 C THR A 17 -0.571 9.124 5.621 1.00 0.00 C ATOM 198 O THR A 17 -1.627 9.663 5.955 1.00 0.00 O ATOM 199 CB THR A 17 0.918 9.772 7.516 1.00 0.00 C ATOM 200 OG1 THR A 17 2.144 10.415 7.882 1.00 0.00 O ATOM 201 CG2 THR A 17 0.892 8.360 8.084 1.00 0.00 C ATOM 0 H THR A 17 0.617 11.837 6.045 1.00 0.00 H new ATOM 0 HA THR A 17 1.575 9.146 5.558 1.00 0.00 H new ATOM 0 HB THR A 17 0.078 10.330 7.930 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.228 10.427 8.858 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.997 8.402 9.168 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.054 7.883 7.829 1.00 0.00 H new ATOM 0 HG23 THR A 17 1.715 7.783 7.662 1.00 0.00 H new ATOM 209 N LEU A 18 -0.524 7.986 4.939 1.00 0.00 N ATOM 210 CA LEU A 18 -1.738 7.287 4.532 1.00 0.00 C ATOM 211 C LEU A 18 -2.031 6.116 5.465 1.00 0.00 C ATOM 212 O LEU A 18 -1.154 5.298 5.746 1.00 0.00 O ATOM 213 CB LEU A 18 -1.604 6.786 3.093 1.00 0.00 C ATOM 214 CG LEU A 18 -1.046 7.789 2.082 1.00 0.00 C ATOM 215 CD1 LEU A 18 -0.846 7.126 0.728 1.00 0.00 C ATOM 216 CD2 LEU A 18 -1.970 8.991 1.958 1.00 0.00 C ATOM 0 H LEU A 18 0.342 7.527 4.656 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.569 7.990 4.589 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -0.961 5.906 3.094 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.586 6.462 2.749 1.00 0.00 H new ATOM 0 HG LEU A 18 -0.077 8.137 2.440 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -0.449 7.855 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -0.145 6.298 0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.801 6.750 0.362 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.557 9.694 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.953 8.661 1.623 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.062 9.480 2.928 1.00 0.00 H new ATOM 228 N VAL A 19 -3.270 6.041 5.940 1.00 0.00 N ATOM 229 CA VAL A 19 -3.679 4.968 6.839 1.00 0.00 C ATOM 230 C VAL A 19 -4.394 3.857 6.078 1.00 0.00 C ATOM 231 O VAL A 19 -5.463 4.070 5.505 1.00 0.00 O ATOM 232 CB VAL A 19 -4.606 5.492 7.952 1.00 0.00 C ATOM 233 CG1 VAL A 19 -4.761 4.452 9.051 1.00 0.00 C ATOM 234 CG2 VAL A 19 -4.075 6.801 8.516 1.00 0.00 C ATOM 0 H VAL A 19 -4.007 6.710 5.718 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.771 4.569 7.291 1.00 0.00 H new ATOM 0 HB VAL A 19 -5.590 5.681 7.522 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -5.419 4.840 9.829 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -5.191 3.542 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -3.785 4.228 9.481 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -4.743 7.156 9.301 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.080 6.641 8.931 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -4.022 7.545 7.721 1.00 0.00 H new ATOM 244 N LEU A 20 -3.798 2.670 6.077 1.00 0.00 N ATOM 245 CA LEU A 20 -4.378 1.523 5.387 1.00 0.00 C ATOM 246 C LEU A 20 -5.358 0.782 6.291 1.00 0.00 C ATOM 247 O LEU A 20 -5.153 0.689 7.501 1.00 0.00 O ATOM 248 CB LEU A 20 -3.274 0.570 4.924 1.00 0.00 C ATOM 249 CG LEU A 20 -3.692 -0.503 3.918 1.00 0.00 C ATOM 250 CD1 LEU A 20 -2.494 -0.970 3.106 1.00 0.00 C ATOM 251 CD2 LEU A 20 -4.346 -1.678 4.632 1.00 0.00 C ATOM 0 H LEU A 20 -2.913 2.476 6.546 1.00 0.00 H new ATOM 0 HA LEU A 20 -4.922 1.891 4.517 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.473 1.162 4.482 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.858 0.075 5.801 1.00 0.00 H new ATOM 0 HG LEU A 20 -4.421 -0.068 3.234 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.811 -1.733 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.070 -0.125 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.741 -1.387 3.775 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -4.637 -2.432 3.901 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -3.640 -2.112 5.340 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -5.230 -1.332 5.168 1.00 0.00 H new ATOM 263 N SER A 21 -6.423 0.255 5.694 1.00 0.00 N ATOM 264 CA SER A 21 -7.436 -0.476 6.445 1.00 0.00 C ATOM 265 C SER A 21 -7.799 -1.780 5.741 1.00 0.00 C ATOM 266 O SER A 21 -7.859 -1.839 4.514 1.00 0.00 O ATOM 267 CB SER A 21 -8.688 0.385 6.626 1.00 0.00 C ATOM 268 OG SER A 21 -8.498 1.355 7.641 1.00 0.00 O ATOM 0 H SER A 21 -6.606 0.321 4.693 1.00 0.00 H new ATOM 0 HA SER A 21 -7.024 -0.715 7.425 1.00 0.00 H new ATOM 0 HB2 SER A 21 -8.931 0.881 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.536 -0.250 6.880 1.00 0.00 H new ATOM 0 HG SER A 21 -9.312 1.893 7.736 1.00 0.00 H new ATOM 274 N ASN A 22 -8.040 -2.823 6.528 1.00 0.00 N ATOM 275 CA ASN A 22 -8.397 -4.127 5.981 1.00 0.00 C ATOM 276 C ASN A 22 -7.181 -4.806 5.358 1.00 0.00 C ATOM 277 O ASN A 22 -7.271 -5.398 4.281 1.00 0.00 O ATOM 278 CB ASN A 22 -9.505 -3.979 4.936 1.00 0.00 C ATOM 279 CG ASN A 22 -10.267 -5.272 4.715 1.00 0.00 C ATOM 280 OD1 ASN A 22 -11.109 -5.656 5.527 1.00 0.00 O ATOM 281 ND2 ASN A 22 -9.973 -5.950 3.611 1.00 0.00 N ATOM 0 H ASN A 22 -7.995 -2.791 7.546 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.760 -4.750 6.799 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -10.199 -3.201 5.254 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -9.069 -3.651 3.992 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -10.453 -6.827 3.408 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -9.268 -5.593 2.966 1.00 0.00 H new ATOM 288 N LEU A 23 -6.046 -4.717 6.041 1.00 0.00 N ATOM 289 CA LEU A 23 -4.811 -5.323 5.555 1.00 0.00 C ATOM 290 C LEU A 23 -4.780 -6.817 5.862 1.00 0.00 C ATOM 291 O LEU A 23 -5.165 -7.245 6.950 1.00 0.00 O ATOM 292 CB LEU A 23 -3.599 -4.636 6.187 1.00 0.00 C ATOM 293 CG LEU A 23 -2.296 -4.709 5.391 1.00 0.00 C ATOM 294 CD1 LEU A 23 -1.175 -4.001 6.137 1.00 0.00 C ATOM 295 CD2 LEU A 23 -1.921 -6.157 5.111 1.00 0.00 C ATOM 0 H LEU A 23 -5.955 -4.231 6.933 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.772 -5.192 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -3.845 -3.586 6.348 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.427 -5.078 7.169 1.00 0.00 H new ATOM 0 HG LEU A 23 -2.447 -4.203 4.437 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.255 -4.063 5.556 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -1.441 -2.954 6.285 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -1.025 -4.478 7.106 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.991 -6.189 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.789 -6.688 6.054 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.714 -6.633 4.535 1.00 0.00 H new ATOM 307 N SER A 24 -4.318 -7.605 4.896 1.00 0.00 N ATOM 308 CA SER A 24 -4.239 -9.052 5.063 1.00 0.00 C ATOM 309 C SER A 24 -2.950 -9.446 5.777 1.00 0.00 C ATOM 310 O SER A 24 -1.870 -8.952 5.451 1.00 0.00 O ATOM 311 CB SER A 24 -4.315 -9.748 3.702 1.00 0.00 C ATOM 312 OG SER A 24 -4.863 -11.049 3.825 1.00 0.00 O ATOM 0 H SER A 24 -3.993 -7.266 3.990 1.00 0.00 H new ATOM 0 HA SER A 24 -5.084 -9.370 5.674 1.00 0.00 H new ATOM 0 HB2 SER A 24 -4.926 -9.156 3.021 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.318 -9.810 3.265 1.00 0.00 H new ATOM 0 HG SER A 24 -4.903 -11.472 2.942 1.00 0.00 H new ATOM 318 N TYR A 25 -3.071 -10.340 6.752 1.00 0.00 N ATOM 319 CA TYR A 25 -1.917 -10.800 7.515 1.00 0.00 C ATOM 320 C TYR A 25 -0.800 -11.265 6.586 1.00 0.00 C ATOM 321 O TYR A 25 0.374 -10.977 6.816 1.00 0.00 O ATOM 322 CB TYR A 25 -2.321 -11.937 8.455 1.00 0.00 C ATOM 323 CG TYR A 25 -3.717 -11.791 9.017 1.00 0.00 C ATOM 324 CD1 TYR A 25 -3.989 -10.872 10.023 1.00 0.00 C ATOM 325 CD2 TYR A 25 -4.763 -12.573 8.544 1.00 0.00 C ATOM 326 CE1 TYR A 25 -5.263 -10.735 10.540 1.00 0.00 C ATOM 327 CE2 TYR A 25 -6.040 -12.442 9.054 1.00 0.00 C ATOM 328 CZ TYR A 25 -6.285 -11.522 10.052 1.00 0.00 C ATOM 329 OH TYR A 25 -7.555 -11.390 10.564 1.00 0.00 O ATOM 0 H TYR A 25 -3.957 -10.761 7.033 1.00 0.00 H new ATOM 0 HA TYR A 25 -1.547 -9.963 8.107 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -2.252 -12.883 7.918 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -1.610 -11.986 9.280 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.191 -10.254 10.407 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.575 -13.296 7.764 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.457 -10.016 11.322 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -6.842 -13.057 8.673 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.157 -12.016 10.111 1.00 0.00 H new ATOM 339 N SER A 26 -1.176 -11.987 5.535 1.00 0.00 N ATOM 340 CA SER A 26 -0.207 -12.496 4.572 1.00 0.00 C ATOM 341 C SER A 26 0.542 -11.350 3.897 1.00 0.00 C ATOM 342 O SER A 26 1.635 -11.538 3.364 1.00 0.00 O ATOM 343 CB SER A 26 -0.908 -13.353 3.516 1.00 0.00 C ATOM 344 OG SER A 26 -0.037 -14.350 3.008 1.00 0.00 O ATOM 0 H SER A 26 -2.144 -12.232 5.329 1.00 0.00 H new ATOM 0 HA SER A 26 0.514 -13.112 5.110 1.00 0.00 H new ATOM 0 HB2 SER A 26 -1.790 -13.823 3.951 1.00 0.00 H new ATOM 0 HB3 SER A 26 -1.255 -12.719 2.700 1.00 0.00 H new ATOM 0 HG SER A 26 -0.509 -14.885 2.336 1.00 0.00 H new ATOM 350 N ALA A 27 -0.055 -10.164 3.925 1.00 0.00 N ATOM 351 CA ALA A 27 0.554 -8.987 3.319 1.00 0.00 C ATOM 352 C ALA A 27 1.456 -8.262 4.313 1.00 0.00 C ATOM 353 O ALA A 27 1.078 -8.040 5.464 1.00 0.00 O ATOM 354 CB ALA A 27 -0.520 -8.046 2.796 1.00 0.00 C ATOM 0 H ALA A 27 -0.961 -9.992 4.361 1.00 0.00 H new ATOM 0 HA ALA A 27 1.170 -9.318 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -0.050 -7.171 2.346 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.121 -8.561 2.046 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -1.160 -7.730 3.620 1.00 0.00 H new ATOM 360 N THR A 28 2.652 -7.897 3.862 1.00 0.00 N ATOM 361 CA THR A 28 3.609 -7.199 4.712 1.00 0.00 C ATOM 362 C THR A 28 4.255 -6.034 3.971 1.00 0.00 C ATOM 363 O THR A 28 3.908 -5.746 2.827 1.00 0.00 O ATOM 364 CB THR A 28 4.713 -8.150 5.213 1.00 0.00 C ATOM 365 OG1 THR A 28 5.684 -8.359 4.182 1.00 0.00 O ATOM 366 CG2 THR A 28 4.124 -9.486 5.640 1.00 0.00 C ATOM 0 H THR A 28 2.981 -8.073 2.913 1.00 0.00 H new ATOM 0 HA THR A 28 3.052 -6.817 5.568 1.00 0.00 H new ATOM 0 HB THR A 28 5.193 -7.690 6.077 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.383 -8.963 4.509 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.922 -10.140 5.990 1.00 0.00 H new ATOM 0 HG22 THR A 28 3.407 -9.327 6.445 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.620 -9.949 4.792 1.00 0.00 H new ATOM 374 N GLU A 29 5.197 -5.368 4.632 1.00 0.00 N ATOM 375 CA GLU A 29 5.891 -4.234 4.035 1.00 0.00 C ATOM 376 C GLU A 29 6.382 -4.574 2.631 1.00 0.00 C ATOM 377 O GLU A 29 6.463 -3.706 1.763 1.00 0.00 O ATOM 378 CB GLU A 29 7.072 -3.811 4.911 1.00 0.00 C ATOM 379 CG GLU A 29 6.710 -2.774 5.962 1.00 0.00 C ATOM 380 CD GLU A 29 7.610 -2.839 7.180 1.00 0.00 C ATOM 381 OE1 GLU A 29 7.892 -3.961 7.652 1.00 0.00 O ATOM 382 OE2 GLU A 29 8.034 -1.767 7.661 1.00 0.00 O ATOM 0 H GLU A 29 5.496 -5.594 5.580 1.00 0.00 H new ATOM 0 HA GLU A 29 5.185 -3.406 3.964 1.00 0.00 H new ATOM 0 HB2 GLU A 29 7.479 -4.692 5.407 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.861 -3.411 4.274 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.772 -1.779 5.522 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.675 -2.922 6.271 1.00 0.00 H new ATOM 389 N GLU A 30 6.710 -5.845 2.417 1.00 0.00 N ATOM 390 CA GLU A 30 7.194 -6.300 1.119 1.00 0.00 C ATOM 391 C GLU A 30 6.131 -6.105 0.042 1.00 0.00 C ATOM 392 O GLU A 30 6.442 -5.771 -1.102 1.00 0.00 O ATOM 393 CB GLU A 30 7.600 -7.774 1.189 1.00 0.00 C ATOM 394 CG GLU A 30 9.048 -7.988 1.595 1.00 0.00 C ATOM 395 CD GLU A 30 10.027 -7.476 0.556 1.00 0.00 C ATOM 396 OE1 GLU A 30 10.295 -8.209 -0.419 1.00 0.00 O ATOM 397 OE2 GLU A 30 10.525 -6.342 0.717 1.00 0.00 O ATOM 0 H GLU A 30 6.649 -6.577 3.125 1.00 0.00 H new ATOM 0 HA GLU A 30 8.067 -5.702 0.856 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.953 -8.287 1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.433 -8.235 0.216 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.234 -7.484 2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.222 -9.051 1.760 1.00 0.00 H new ATOM 404 N THR A 31 4.872 -6.315 0.416 1.00 0.00 N ATOM 405 CA THR A 31 3.762 -6.165 -0.516 1.00 0.00 C ATOM 406 C THR A 31 3.383 -4.698 -0.687 1.00 0.00 C ATOM 407 O THR A 31 3.023 -4.263 -1.781 1.00 0.00 O ATOM 408 CB THR A 31 2.524 -6.953 -0.048 1.00 0.00 C ATOM 409 OG1 THR A 31 2.900 -8.287 0.309 1.00 0.00 O ATOM 410 CG2 THR A 31 1.464 -6.993 -1.138 1.00 0.00 C ATOM 0 H THR A 31 4.596 -6.590 1.359 1.00 0.00 H new ATOM 0 HA THR A 31 4.096 -6.565 -1.473 1.00 0.00 H new ATOM 0 HB THR A 31 2.107 -6.448 0.823 1.00 0.00 H new ATOM 0 HG1 THR A 31 2.095 -8.826 0.453 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.599 -7.555 -0.784 1.00 0.00 H new ATOM 0 HG22 THR A 31 1.159 -5.976 -1.387 1.00 0.00 H new ATOM 0 HG23 THR A 31 1.873 -7.477 -2.025 1.00 0.00 H new ATOM 418 N LEU A 32 3.466 -3.940 0.401 1.00 0.00 N ATOM 419 CA LEU A 32 3.132 -2.520 0.371 1.00 0.00 C ATOM 420 C LEU A 32 4.197 -1.726 -0.377 1.00 0.00 C ATOM 421 O LEU A 32 3.893 -0.736 -1.043 1.00 0.00 O ATOM 422 CB LEU A 32 2.984 -1.982 1.795 1.00 0.00 C ATOM 423 CG LEU A 32 2.078 -2.787 2.727 1.00 0.00 C ATOM 424 CD1 LEU A 32 2.073 -2.182 4.122 1.00 0.00 C ATOM 425 CD2 LEU A 32 0.664 -2.856 2.168 1.00 0.00 C ATOM 0 H LEU A 32 3.762 -4.285 1.314 1.00 0.00 H new ATOM 0 HA LEU A 32 2.184 -2.405 -0.155 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.975 -1.925 2.245 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.600 -0.963 1.739 1.00 0.00 H new ATOM 0 HG LEU A 32 2.470 -3.802 2.796 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.423 -2.769 4.771 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.086 -2.186 4.524 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.707 -1.157 4.073 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.033 -3.433 2.844 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.262 -1.848 2.069 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.682 -3.337 1.190 1.00 0.00 H new ATOM 437 N GLN A 33 5.446 -2.167 -0.265 1.00 0.00 N ATOM 438 CA GLN A 33 6.556 -1.497 -0.932 1.00 0.00 C ATOM 439 C GLN A 33 6.374 -1.520 -2.446 1.00 0.00 C ATOM 440 O GLN A 33 6.945 -0.697 -3.161 1.00 0.00 O ATOM 441 CB GLN A 33 7.881 -2.162 -0.556 1.00 0.00 C ATOM 442 CG GLN A 33 8.480 -1.637 0.738 1.00 0.00 C ATOM 443 CD GLN A 33 9.353 -0.416 0.524 1.00 0.00 C ATOM 444 OE1 GLN A 33 10.580 -0.511 0.512 1.00 0.00 O ATOM 445 NE2 GLN A 33 8.722 0.740 0.353 1.00 0.00 N ATOM 0 H GLN A 33 5.714 -2.985 0.281 1.00 0.00 H new ATOM 0 HA GLN A 33 6.572 -0.458 -0.601 1.00 0.00 H new ATOM 0 HB2 GLN A 33 7.725 -3.237 -0.465 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.596 -2.011 -1.365 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.676 -1.387 1.431 1.00 0.00 H new ATOM 0 HG3 GLN A 33 9.071 -2.424 1.206 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.703 0.772 0.370 1.00 0.00 H new ATOM 0 HE22 GLN A 33 9.257 1.596 0.204 1.00 0.00 H new ATOM 454 N GLU A 34 5.575 -2.467 -2.928 1.00 0.00 N ATOM 455 CA GLU A 34 5.319 -2.596 -4.357 1.00 0.00 C ATOM 456 C GLU A 34 4.165 -1.694 -4.787 1.00 0.00 C ATOM 457 O GLU A 34 4.193 -1.106 -5.868 1.00 0.00 O ATOM 458 CB GLU A 34 5.003 -4.050 -4.712 1.00 0.00 C ATOM 459 CG GLU A 34 6.129 -5.016 -4.380 1.00 0.00 C ATOM 460 CD GLU A 34 5.781 -6.454 -4.713 1.00 0.00 C ATOM 461 OE1 GLU A 34 4.874 -7.011 -4.059 1.00 0.00 O ATOM 462 OE2 GLU A 34 6.415 -7.022 -5.627 1.00 0.00 O ATOM 0 H GLU A 34 5.094 -3.156 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 34 6.218 -2.286 -4.890 1.00 0.00 H new ATOM 0 HB2 GLU A 34 4.103 -4.358 -4.180 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.782 -4.115 -5.777 1.00 0.00 H new ATOM 0 HG2 GLU A 34 7.025 -4.726 -4.929 1.00 0.00 H new ATOM 0 HG3 GLU A 34 6.367 -4.940 -3.319 1.00 0.00 H new ATOM 469 N VAL A 35 3.152 -1.591 -3.933 1.00 0.00 N ATOM 470 CA VAL A 35 1.989 -0.762 -4.223 1.00 0.00 C ATOM 471 C VAL A 35 2.326 0.720 -4.099 1.00 0.00 C ATOM 472 O VAL A 35 1.862 1.542 -4.890 1.00 0.00 O ATOM 473 CB VAL A 35 0.816 -1.091 -3.281 1.00 0.00 C ATOM 474 CG1 VAL A 35 -0.434 -0.332 -3.699 1.00 0.00 C ATOM 475 CG2 VAL A 35 0.557 -2.589 -3.257 1.00 0.00 C ATOM 0 H VAL A 35 3.113 -2.072 -3.034 1.00 0.00 H new ATOM 0 HA VAL A 35 1.693 -0.980 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 35 1.083 -0.775 -2.272 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.252 -0.577 -3.022 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.239 0.740 -3.660 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.708 -0.614 -4.716 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.275 -2.804 -2.586 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.311 -2.932 -4.262 1.00 0.00 H new ATOM 0 HG23 VAL A 35 1.449 -3.107 -2.905 1.00 0.00 H new ATOM 485 N PHE A 36 3.137 1.055 -3.102 1.00 0.00 N ATOM 486 CA PHE A 36 3.537 2.439 -2.873 1.00 0.00 C ATOM 487 C PHE A 36 5.028 2.625 -3.139 1.00 0.00 C ATOM 488 O PHE A 36 5.859 2.384 -2.265 1.00 0.00 O ATOM 489 CB PHE A 36 3.207 2.857 -1.439 1.00 0.00 C ATOM 490 CG PHE A 36 1.768 2.641 -1.067 1.00 0.00 C ATOM 491 CD1 PHE A 36 0.803 3.575 -1.408 1.00 0.00 C ATOM 492 CD2 PHE A 36 1.380 1.504 -0.378 1.00 0.00 C ATOM 493 CE1 PHE A 36 -0.521 3.379 -1.067 1.00 0.00 C ATOM 494 CE2 PHE A 36 0.056 1.302 -0.034 1.00 0.00 C ATOM 495 CZ PHE A 36 -0.896 2.241 -0.380 1.00 0.00 C ATOM 0 H PHE A 36 3.531 0.387 -2.439 1.00 0.00 H new ATOM 0 HA PHE A 36 2.981 3.071 -3.565 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.840 2.296 -0.751 1.00 0.00 H new ATOM 0 HB3 PHE A 36 3.453 3.911 -1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 36 1.089 4.466 -1.946 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.120 0.766 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.263 4.116 -1.338 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -0.233 0.412 0.504 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.931 2.086 -0.114 1.00 0.00 H new ATOM 505 N GLU A 37 5.357 3.056 -4.353 1.00 0.00 N ATOM 506 CA GLU A 37 6.748 3.273 -4.735 1.00 0.00 C ATOM 507 C GLU A 37 7.230 4.646 -4.276 1.00 0.00 C ATOM 508 O GLU A 37 8.432 4.894 -4.178 1.00 0.00 O ATOM 509 CB GLU A 37 6.909 3.145 -6.251 1.00 0.00 C ATOM 510 CG GLU A 37 6.390 1.830 -6.810 1.00 0.00 C ATOM 511 CD GLU A 37 6.809 1.602 -8.249 1.00 0.00 C ATOM 512 OE1 GLU A 37 8.004 1.323 -8.481 1.00 0.00 O ATOM 513 OE2 GLU A 37 5.943 1.701 -9.143 1.00 0.00 O ATOM 0 H GLU A 37 4.680 3.262 -5.088 1.00 0.00 H new ATOM 0 HA GLU A 37 7.356 2.511 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.383 3.968 -6.734 1.00 0.00 H new ATOM 0 HB3 GLU A 37 7.964 3.247 -6.506 1.00 0.00 H new ATOM 0 HG2 GLU A 37 6.756 1.008 -6.194 1.00 0.00 H new ATOM 0 HG3 GLU A 37 5.302 1.816 -6.746 1.00 0.00 H new ATOM 520 N LYS A 38 6.283 5.535 -3.994 1.00 0.00 N ATOM 521 CA LYS A 38 6.609 6.883 -3.544 1.00 0.00 C ATOM 522 C LYS A 38 6.685 6.945 -2.022 1.00 0.00 C ATOM 523 O LYS A 38 7.210 7.903 -1.456 1.00 0.00 O ATOM 524 CB LYS A 38 5.565 7.879 -4.054 1.00 0.00 C ATOM 525 CG LYS A 38 5.041 7.554 -5.442 1.00 0.00 C ATOM 526 CD LYS A 38 6.118 7.731 -6.500 1.00 0.00 C ATOM 527 CE LYS A 38 6.170 9.163 -7.009 1.00 0.00 C ATOM 528 NZ LYS A 38 7.509 9.507 -7.563 1.00 0.00 N ATOM 0 H LYS A 38 5.284 5.346 -4.069 1.00 0.00 H new ATOM 0 HA LYS A 38 7.585 7.149 -3.950 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.728 7.905 -3.356 1.00 0.00 H new ATOM 0 HB3 LYS A 38 6.002 8.877 -4.064 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.675 6.528 -5.463 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.194 8.200 -5.672 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.087 7.457 -6.083 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.926 7.055 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.412 9.302 -7.779 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.927 9.847 -6.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.503 10.491 -7.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 8.230 9.399 -6.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 7.730 8.872 -8.356 1.00 0.00 H new ATOM 542 N ALA A 39 6.159 5.916 -1.365 1.00 0.00 N ATOM 543 CA ALA A 39 6.171 5.853 0.091 1.00 0.00 C ATOM 544 C ALA A 39 7.598 5.847 0.628 1.00 0.00 C ATOM 545 O ALA A 39 8.347 4.891 0.421 1.00 0.00 O ATOM 546 CB ALA A 39 5.419 4.621 0.572 1.00 0.00 C ATOM 0 H ALA A 39 5.719 5.115 -1.818 1.00 0.00 H new ATOM 0 HA ALA A 39 5.670 6.743 0.473 1.00 0.00 H new ATOM 0 HB1 ALA A 39 5.436 4.587 1.661 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.386 4.667 0.226 1.00 0.00 H new ATOM 0 HB3 ALA A 39 5.895 3.725 0.173 1.00 0.00 H new ATOM 552 N THR A 40 7.970 6.920 1.320 1.00 0.00 N ATOM 553 CA THR A 40 9.308 7.039 1.885 1.00 0.00 C ATOM 554 C THR A 40 9.500 6.074 3.050 1.00 0.00 C ATOM 555 O THR A 40 10.628 5.786 3.450 1.00 0.00 O ATOM 556 CB THR A 40 9.587 8.474 2.371 1.00 0.00 C ATOM 557 OG1 THR A 40 8.787 8.765 3.522 1.00 0.00 O ATOM 558 CG2 THR A 40 9.291 9.484 1.272 1.00 0.00 C ATOM 0 H THR A 40 7.363 7.719 1.502 1.00 0.00 H new ATOM 0 HA THR A 40 10.011 6.790 1.090 1.00 0.00 H new ATOM 0 HB THR A 40 10.642 8.547 2.635 1.00 0.00 H new ATOM 0 HG1 THR A 40 8.971 9.678 3.826 1.00 0.00 H new ATOM 0 HG21 THR A 40 9.495 10.490 1.638 1.00 0.00 H new ATOM 0 HG22 THR A 40 9.922 9.277 0.408 1.00 0.00 H new ATOM 0 HG23 THR A 40 8.243 9.409 0.982 1.00 0.00 H new ATOM 566 N PHE A 41 8.392 5.577 3.590 1.00 0.00 N ATOM 567 CA PHE A 41 8.439 4.644 4.709 1.00 0.00 C ATOM 568 C PHE A 41 7.103 3.927 4.876 1.00 0.00 C ATOM 569 O PHE A 41 6.041 4.544 4.794 1.00 0.00 O ATOM 570 CB PHE A 41 8.800 5.381 6.001 1.00 0.00 C ATOM 571 CG PHE A 41 9.259 4.471 7.103 1.00 0.00 C ATOM 572 CD1 PHE A 41 10.592 4.108 7.209 1.00 0.00 C ATOM 573 CD2 PHE A 41 8.358 3.978 8.033 1.00 0.00 C ATOM 574 CE1 PHE A 41 11.018 3.269 8.222 1.00 0.00 C ATOM 575 CE2 PHE A 41 8.778 3.139 9.049 1.00 0.00 C ATOM 576 CZ PHE A 41 10.110 2.785 9.144 1.00 0.00 C ATOM 0 H PHE A 41 7.451 5.805 3.270 1.00 0.00 H new ATOM 0 HA PHE A 41 9.207 3.900 4.497 1.00 0.00 H new ATOM 0 HB2 PHE A 41 9.586 6.106 5.789 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.931 5.944 6.344 1.00 0.00 H new ATOM 0 HD1 PHE A 41 11.306 4.485 6.492 1.00 0.00 H new ATOM 0 HD2 PHE A 41 7.316 4.252 7.964 1.00 0.00 H new ATOM 0 HE1 PHE A 41 12.060 2.992 8.292 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.066 2.761 9.767 1.00 0.00 H new ATOM 0 HZ PHE A 41 10.441 2.131 9.937 1.00 0.00 H new ATOM 586 N ILE A 42 7.165 2.620 5.110 1.00 0.00 N ATOM 587 CA ILE A 42 5.960 1.819 5.289 1.00 0.00 C ATOM 588 C ILE A 42 6.007 1.042 6.601 1.00 0.00 C ATOM 589 O ILE A 42 7.014 0.415 6.929 1.00 0.00 O ATOM 590 CB ILE A 42 5.765 0.829 4.126 1.00 0.00 C ATOM 591 CG1 ILE A 42 5.455 1.584 2.832 1.00 0.00 C ATOM 592 CG2 ILE A 42 4.652 -0.157 4.450 1.00 0.00 C ATOM 593 CD1 ILE A 42 5.476 0.706 1.600 1.00 0.00 C ATOM 0 H ILE A 42 8.036 2.094 5.180 1.00 0.00 H new ATOM 0 HA ILE A 42 5.119 2.513 5.310 1.00 0.00 H new ATOM 0 HB ILE A 42 6.690 0.269 3.986 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.474 2.050 2.919 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.180 2.388 2.708 1.00 0.00 H new ATOM 0 HG21 ILE A 42 4.526 -0.850 3.618 1.00 0.00 H new ATOM 0 HG22 ILE A 42 4.910 -0.714 5.351 1.00 0.00 H new ATOM 0 HG23 ILE A 42 3.721 0.386 4.614 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.248 1.308 0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 42 6.464 0.260 1.488 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.731 -0.083 1.703 1.00 0.00 H new ATOM 605 N LYS A 43 4.908 1.086 7.347 1.00 0.00 N ATOM 606 CA LYS A 43 4.821 0.384 8.622 1.00 0.00 C ATOM 607 C LYS A 43 3.586 -0.511 8.667 1.00 0.00 C ATOM 608 O LYS A 43 2.495 -0.100 8.270 1.00 0.00 O ATOM 609 CB LYS A 43 4.780 1.386 9.778 1.00 0.00 C ATOM 610 CG LYS A 43 5.105 0.771 11.128 1.00 0.00 C ATOM 611 CD LYS A 43 6.604 0.644 11.337 1.00 0.00 C ATOM 612 CE LYS A 43 6.939 -0.485 12.300 1.00 0.00 C ATOM 613 NZ LYS A 43 6.927 -1.812 11.625 1.00 0.00 N ATOM 0 H LYS A 43 4.065 1.600 7.090 1.00 0.00 H new ATOM 0 HA LYS A 43 5.707 -0.243 8.724 1.00 0.00 H new ATOM 0 HB2 LYS A 43 5.487 2.191 9.575 1.00 0.00 H new ATOM 0 HB3 LYS A 43 3.788 1.836 9.823 1.00 0.00 H new ATOM 0 HG2 LYS A 43 4.677 1.385 11.921 1.00 0.00 H new ATOM 0 HG3 LYS A 43 4.642 -0.213 11.201 1.00 0.00 H new ATOM 0 HD2 LYS A 43 7.092 0.463 10.379 1.00 0.00 H new ATOM 0 HD3 LYS A 43 6.999 1.583 11.724 1.00 0.00 H new ATOM 0 HE2 LYS A 43 7.922 -0.309 12.738 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.221 -0.488 13.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.160 -2.555 12.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 5.982 -1.992 11.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 7.630 -1.818 10.859 1.00 0.00 H new ATOM 627 N VAL A 44 3.764 -1.734 9.154 1.00 0.00 N ATOM 628 CA VAL A 44 2.663 -2.686 9.254 1.00 0.00 C ATOM 629 C VAL A 44 2.640 -3.358 10.622 1.00 0.00 C ATOM 630 O VAL A 44 3.398 -4.288 10.897 1.00 0.00 O ATOM 631 CB VAL A 44 2.758 -3.769 8.163 1.00 0.00 C ATOM 632 CG1 VAL A 44 4.199 -4.220 7.982 1.00 0.00 C ATOM 633 CG2 VAL A 44 1.861 -4.949 8.506 1.00 0.00 C ATOM 0 H VAL A 44 4.660 -2.090 9.486 1.00 0.00 H new ATOM 0 HA VAL A 44 1.741 -2.121 9.115 1.00 0.00 H new ATOM 0 HB VAL A 44 2.415 -3.342 7.220 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.246 -4.985 7.207 1.00 0.00 H new ATOM 0 HG12 VAL A 44 4.813 -3.368 7.689 1.00 0.00 H new ATOM 0 HG13 VAL A 44 4.572 -4.630 8.920 1.00 0.00 H new ATOM 0 HG21 VAL A 44 1.940 -5.705 7.725 1.00 0.00 H new ATOM 0 HG22 VAL A 44 2.172 -5.378 9.459 1.00 0.00 H new ATOM 0 HG23 VAL A 44 0.827 -4.611 8.580 1.00 0.00 H new ATOM 643 N PRO A 45 1.748 -2.878 11.502 1.00 0.00 N ATOM 644 CA PRO A 45 1.603 -3.419 12.856 1.00 0.00 C ATOM 645 C PRO A 45 1.000 -4.819 12.860 1.00 0.00 C ATOM 646 O PRO A 45 -0.162 -5.005 12.502 1.00 0.00 O ATOM 647 CB PRO A 45 0.655 -2.427 13.535 1.00 0.00 C ATOM 648 CG PRO A 45 -0.123 -1.822 12.417 1.00 0.00 C ATOM 649 CD PRO A 45 0.813 -1.771 11.241 1.00 0.00 C ATOM 0 HA PRO A 45 2.565 -3.523 13.358 1.00 0.00 H new ATOM 0 HB2 PRO A 45 0.000 -2.929 14.247 1.00 0.00 H new ATOM 0 HB3 PRO A 45 1.207 -1.668 14.090 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -1.005 -2.419 12.188 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -0.473 -0.824 12.681 1.00 0.00 H new ATOM 0 HD2 PRO A 45 0.282 -1.907 10.299 1.00 0.00 H new ATOM 0 HD3 PRO A 45 1.330 -0.814 11.180 1.00 0.00 H new ATOM 657 N GLN A 46 1.798 -5.801 13.268 1.00 0.00 N ATOM 658 CA GLN A 46 1.341 -7.185 13.318 1.00 0.00 C ATOM 659 C GLN A 46 1.486 -7.756 14.724 1.00 0.00 C ATOM 660 O GLN A 46 2.193 -7.196 15.562 1.00 0.00 O ATOM 661 CB GLN A 46 2.129 -8.040 12.324 1.00 0.00 C ATOM 662 CG GLN A 46 3.598 -7.661 12.225 1.00 0.00 C ATOM 663 CD GLN A 46 4.345 -8.483 11.193 1.00 0.00 C ATOM 664 OE1 GLN A 46 5.379 -9.081 11.490 1.00 0.00 O ATOM 665 NE2 GLN A 46 3.824 -8.516 9.972 1.00 0.00 N ATOM 0 H GLN A 46 2.763 -5.664 13.568 1.00 0.00 H new ATOM 0 HA GLN A 46 0.286 -7.203 13.046 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.052 -9.087 12.617 1.00 0.00 H new ATOM 0 HB3 GLN A 46 1.672 -7.950 11.338 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.680 -6.604 11.971 1.00 0.00 H new ATOM 0 HG3 GLN A 46 4.070 -7.792 13.199 1.00 0.00 H new ATOM 0 HE21 GLN A 46 2.965 -8.005 9.770 1.00 0.00 H new ATOM 0 HE22 GLN A 46 4.283 -9.052 9.236 1.00 0.00 H new ATOM 726 N LYS A 51 0.633 -11.389 12.571 1.00 0.00 N ATOM 727 CA LYS A 51 -0.650 -11.106 11.938 1.00 0.00 C ATOM 728 C LYS A 51 -0.954 -9.611 11.970 1.00 0.00 C ATOM 729 O LYS A 51 -1.022 -9.005 13.040 1.00 0.00 O ATOM 730 CB LYS A 51 -1.769 -11.881 12.636 1.00 0.00 C ATOM 731 CG LYS A 51 -1.689 -13.383 12.430 1.00 0.00 C ATOM 732 CD LYS A 51 -3.048 -14.042 12.594 1.00 0.00 C ATOM 733 CE LYS A 51 -3.018 -15.498 12.156 1.00 0.00 C ATOM 734 NZ LYS A 51 -2.250 -16.348 13.107 1.00 0.00 N ATOM 0 HA LYS A 51 -0.592 -11.425 10.897 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -1.736 -11.667 13.704 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.731 -11.523 12.269 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -1.299 -13.594 11.434 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -0.987 -13.812 13.145 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -3.360 -13.981 13.637 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -3.790 -13.500 12.007 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.038 -15.874 12.075 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -2.572 -15.570 11.164 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -2.253 -17.333 12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -1.270 -16.005 13.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -2.690 -16.300 14.048 1.00 0.00 H new ATOM 748 N SER A 52 -1.138 -9.023 10.793 1.00 0.00 N ATOM 749 CA SER A 52 -1.433 -7.599 10.687 1.00 0.00 C ATOM 750 C SER A 52 -2.725 -7.256 11.422 1.00 0.00 C ATOM 751 O SER A 52 -3.784 -7.815 11.134 1.00 0.00 O ATOM 752 CB SER A 52 -1.544 -7.188 9.217 1.00 0.00 C ATOM 753 OG SER A 52 -2.829 -7.486 8.700 1.00 0.00 O ATOM 0 H SER A 52 -1.088 -9.511 9.899 1.00 0.00 H new ATOM 0 HA SER A 52 -0.615 -7.048 11.150 1.00 0.00 H new ATOM 0 HB2 SER A 52 -1.348 -6.120 9.119 1.00 0.00 H new ATOM 0 HB3 SER A 52 -0.784 -7.707 8.633 1.00 0.00 H new ATOM 0 HG SER A 52 -3.366 -7.925 9.392 1.00 0.00 H new ATOM 759 N LYS A 53 -2.630 -6.334 12.373 1.00 0.00 N ATOM 760 CA LYS A 53 -3.790 -5.913 13.150 1.00 0.00 C ATOM 761 C LYS A 53 -4.974 -5.605 12.239 1.00 0.00 C ATOM 762 O LYS A 53 -6.129 -5.768 12.629 1.00 0.00 O ATOM 763 CB LYS A 53 -3.447 -4.682 13.991 1.00 0.00 C ATOM 764 CG LYS A 53 -2.207 -4.859 14.851 1.00 0.00 C ATOM 765 CD LYS A 53 -2.295 -4.043 16.130 1.00 0.00 C ATOM 766 CE LYS A 53 -1.425 -4.635 17.229 1.00 0.00 C ATOM 767 NZ LYS A 53 -1.970 -4.345 18.584 1.00 0.00 N ATOM 0 H LYS A 53 -1.761 -5.863 12.625 1.00 0.00 H new ATOM 0 HA LYS A 53 -4.068 -6.733 13.813 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -3.301 -3.829 13.328 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -4.294 -4.444 14.634 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -2.082 -5.913 15.099 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.325 -4.558 14.286 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.984 -3.017 15.931 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -3.331 -4.002 16.467 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.349 -5.714 17.091 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.415 -4.232 17.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.349 -4.765 19.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.019 -3.316 18.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -2.924 -4.751 18.669 1.00 0.00 H new ATOM 781 N GLY A 54 -4.677 -5.161 11.021 1.00 0.00 N ATOM 782 CA GLY A 54 -5.728 -4.839 10.073 1.00 0.00 C ATOM 783 C GLY A 54 -5.538 -3.475 9.439 1.00 0.00 C ATOM 784 O GLY A 54 -6.349 -3.046 8.618 1.00 0.00 O ATOM 0 H GLY A 54 -3.728 -5.019 10.674 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -5.754 -5.599 9.292 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -6.692 -4.870 10.580 1.00 0.00 H new ATOM 788 N TYR A 55 -4.466 -2.791 9.821 1.00 0.00 N ATOM 789 CA TYR A 55 -4.175 -1.465 9.287 1.00 0.00 C ATOM 790 C TYR A 55 -2.669 -1.233 9.196 1.00 0.00 C ATOM 791 O TYR A 55 -1.884 -1.918 9.850 1.00 0.00 O ATOM 792 CB TYR A 55 -4.816 -0.388 10.163 1.00 0.00 C ATOM 793 CG TYR A 55 -4.602 -0.604 11.644 1.00 0.00 C ATOM 794 CD1 TYR A 55 -5.266 -1.620 12.320 1.00 0.00 C ATOM 795 CD2 TYR A 55 -3.736 0.208 12.367 1.00 0.00 C ATOM 796 CE1 TYR A 55 -5.074 -1.821 13.674 1.00 0.00 C ATOM 797 CE2 TYR A 55 -3.537 0.013 13.720 1.00 0.00 C ATOM 798 CZ TYR A 55 -4.208 -1.002 14.369 1.00 0.00 C ATOM 799 OH TYR A 55 -4.014 -1.199 15.717 1.00 0.00 O ATOM 0 H TYR A 55 -3.784 -3.132 10.498 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.595 -1.405 8.283 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.410 0.584 9.884 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.886 -0.356 9.960 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.944 -2.264 11.779 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -3.210 1.005 11.862 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.599 -2.615 14.185 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -2.859 0.652 14.267 1.00 0.00 H new ATOM 0 HH TYR A 55 -3.373 -0.539 16.055 1.00 0.00 H new ATOM 809 N ALA A 56 -2.275 -0.261 8.380 1.00 0.00 N ATOM 810 CA ALA A 56 -0.866 0.064 8.204 1.00 0.00 C ATOM 811 C ALA A 56 -0.649 1.574 8.183 1.00 0.00 C ATOM 812 O ALA A 56 -1.606 2.348 8.202 1.00 0.00 O ATOM 813 CB ALA A 56 -0.334 -0.565 6.925 1.00 0.00 C ATOM 0 H ALA A 56 -2.913 0.315 7.830 1.00 0.00 H new ATOM 0 HA ALA A 56 -0.316 -0.344 9.052 1.00 0.00 H new ATOM 0 HB1 ALA A 56 0.720 -0.313 6.807 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -0.445 -1.648 6.979 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.896 -0.185 6.072 1.00 0.00 H new ATOM 819 N PHE A 57 0.614 1.985 8.145 1.00 0.00 N ATOM 820 CA PHE A 57 0.956 3.403 8.123 1.00 0.00 C ATOM 821 C PHE A 57 1.965 3.702 7.019 1.00 0.00 C ATOM 822 O PHE A 57 3.141 3.353 7.128 1.00 0.00 O ATOM 823 CB PHE A 57 1.522 3.833 9.478 1.00 0.00 C ATOM 824 CG PHE A 57 0.499 3.848 10.578 1.00 0.00 C ATOM 825 CD1 PHE A 57 -0.474 4.833 10.624 1.00 0.00 C ATOM 826 CD2 PHE A 57 0.511 2.877 11.566 1.00 0.00 C ATOM 827 CE1 PHE A 57 -1.417 4.850 11.634 1.00 0.00 C ATOM 828 CE2 PHE A 57 -0.430 2.888 12.579 1.00 0.00 C ATOM 829 CZ PHE A 57 -1.394 3.876 12.614 1.00 0.00 C ATOM 0 H PHE A 57 1.418 1.357 8.129 1.00 0.00 H new ATOM 0 HA PHE A 57 0.046 3.968 7.921 1.00 0.00 H new ATOM 0 HB2 PHE A 57 2.332 3.158 9.755 1.00 0.00 H new ATOM 0 HB3 PHE A 57 1.955 4.829 9.382 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.496 5.597 9.861 1.00 0.00 H new ATOM 0 HD2 PHE A 57 1.264 2.103 11.545 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -2.171 5.623 11.657 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.411 2.124 13.342 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.129 3.888 13.406 1.00 0.00 H new ATOM 839 N ILE A 58 1.498 4.350 5.958 1.00 0.00 N ATOM 840 CA ILE A 58 2.359 4.696 4.834 1.00 0.00 C ATOM 841 C ILE A 58 2.861 6.132 4.948 1.00 0.00 C ATOM 842 O ILE A 58 2.118 7.029 5.345 1.00 0.00 O ATOM 843 CB ILE A 58 1.627 4.526 3.490 1.00 0.00 C ATOM 844 CG1 ILE A 58 0.723 3.292 3.530 1.00 0.00 C ATOM 845 CG2 ILE A 58 2.629 4.418 2.351 1.00 0.00 C ATOM 846 CD1 ILE A 58 1.439 2.032 3.962 1.00 0.00 C ATOM 0 H ILE A 58 0.528 4.646 5.853 1.00 0.00 H new ATOM 0 HA ILE A 58 3.208 4.013 4.865 1.00 0.00 H new ATOM 0 HB ILE A 58 1.005 5.404 3.318 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.106 3.481 4.212 1.00 0.00 H new ATOM 0 HG13 ILE A 58 0.293 3.135 2.541 1.00 0.00 H new ATOM 0 HG21 ILE A 58 2.096 4.298 1.408 1.00 0.00 H new ATOM 0 HG22 ILE A 58 3.235 5.323 2.313 1.00 0.00 H new ATOM 0 HG23 ILE A 58 3.275 3.555 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.737 1.198 3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 58 2.251 1.818 3.267 1.00 0.00 H new ATOM 0 HD13 ILE A 58 1.846 2.170 4.964 1.00 0.00 H new ATOM 858 N GLU A 59 4.125 6.341 4.595 1.00 0.00 N ATOM 859 CA GLU A 59 4.726 7.668 4.658 1.00 0.00 C ATOM 860 C GLU A 59 5.276 8.081 3.295 1.00 0.00 C ATOM 861 O GLU A 59 5.887 7.277 2.591 1.00 0.00 O ATOM 862 CB GLU A 59 5.844 7.698 5.702 1.00 0.00 C ATOM 863 CG GLU A 59 6.171 9.094 6.204 1.00 0.00 C ATOM 864 CD GLU A 59 7.473 9.146 6.979 1.00 0.00 C ATOM 865 OE1 GLU A 59 7.857 8.112 7.565 1.00 0.00 O ATOM 866 OE2 GLU A 59 8.109 10.220 6.998 1.00 0.00 O ATOM 0 H GLU A 59 4.753 5.609 4.263 1.00 0.00 H new ATOM 0 HA GLU A 59 3.950 8.377 4.948 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.556 7.075 6.549 1.00 0.00 H new ATOM 0 HB3 GLU A 59 6.743 7.256 5.272 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.230 9.776 5.356 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.359 9.446 6.841 1.00 0.00 H new ATOM 873 N PHE A 60 5.053 9.339 2.931 1.00 0.00 N ATOM 874 CA PHE A 60 5.525 9.860 1.653 1.00 0.00 C ATOM 875 C PHE A 60 6.393 11.098 1.856 1.00 0.00 C ATOM 876 O PHE A 60 6.694 11.479 2.987 1.00 0.00 O ATOM 877 CB PHE A 60 4.338 10.198 0.747 1.00 0.00 C ATOM 878 CG PHE A 60 3.481 9.011 0.414 1.00 0.00 C ATOM 879 CD1 PHE A 60 2.737 8.379 1.397 1.00 0.00 C ATOM 880 CD2 PHE A 60 3.419 8.526 -0.883 1.00 0.00 C ATOM 881 CE1 PHE A 60 1.946 7.287 1.094 1.00 0.00 C ATOM 882 CE2 PHE A 60 2.630 7.434 -1.192 1.00 0.00 C ATOM 883 CZ PHE A 60 1.894 6.813 -0.202 1.00 0.00 C ATOM 0 H PHE A 60 4.549 10.017 3.502 1.00 0.00 H new ATOM 0 HA PHE A 60 6.130 9.089 1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.723 10.955 1.234 1.00 0.00 H new ATOM 0 HB3 PHE A 60 4.711 10.638 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.776 8.744 2.413 1.00 0.00 H new ATOM 0 HD2 PHE A 60 3.994 9.007 -1.661 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.369 6.805 1.870 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.589 7.067 -2.207 1.00 0.00 H new ATOM 0 HZ PHE A 60 1.279 5.958 -0.441 1.00 0.00 H new ATOM 893 N ALA A 61 6.792 11.721 0.753 1.00 0.00 N ATOM 894 CA ALA A 61 7.624 12.917 0.809 1.00 0.00 C ATOM 895 C ALA A 61 6.796 14.146 1.166 1.00 0.00 C ATOM 896 O ALA A 61 7.302 15.094 1.766 1.00 0.00 O ATOM 897 CB ALA A 61 8.338 13.126 -0.518 1.00 0.00 C ATOM 0 H ALA A 61 6.553 11.418 -0.191 1.00 0.00 H new ATOM 0 HA ALA A 61 8.369 12.774 1.591 1.00 0.00 H new ATOM 0 HB1 ALA A 61 8.955 14.022 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 61 8.969 12.263 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 61 7.602 13.242 -1.313 1.00 0.00 H new ATOM 903 N SER A 62 5.520 14.123 0.793 1.00 0.00 N ATOM 904 CA SER A 62 4.623 15.238 1.070 1.00 0.00 C ATOM 905 C SER A 62 3.196 14.907 0.643 1.00 0.00 C ATOM 906 O SER A 62 2.922 13.811 0.152 1.00 0.00 O ATOM 907 CB SER A 62 5.103 16.499 0.349 1.00 0.00 C ATOM 908 OG SER A 62 6.029 17.219 1.144 1.00 0.00 O ATOM 0 H SER A 62 5.085 13.344 0.298 1.00 0.00 H new ATOM 0 HA SER A 62 4.630 15.418 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 62 5.568 16.226 -0.598 1.00 0.00 H new ATOM 0 HB3 SER A 62 4.249 17.135 0.114 1.00 0.00 H new ATOM 0 HG SER A 62 6.629 16.591 1.597 1.00 0.00 H new ATOM 914 N PHE A 63 2.291 15.861 0.832 1.00 0.00 N ATOM 915 CA PHE A 63 0.892 15.672 0.468 1.00 0.00 C ATOM 916 C PHE A 63 0.749 15.426 -1.031 1.00 0.00 C ATOM 917 O PHE A 63 -0.330 15.085 -1.514 1.00 0.00 O ATOM 918 CB PHE A 63 0.067 16.893 0.877 1.00 0.00 C ATOM 919 CG PHE A 63 -1.238 17.008 0.142 1.00 0.00 C ATOM 920 CD1 PHE A 63 -2.306 16.188 0.468 1.00 0.00 C ATOM 921 CD2 PHE A 63 -1.397 17.937 -0.874 1.00 0.00 C ATOM 922 CE1 PHE A 63 -3.508 16.291 -0.207 1.00 0.00 C ATOM 923 CE2 PHE A 63 -2.597 18.045 -1.553 1.00 0.00 C ATOM 924 CZ PHE A 63 -3.654 17.221 -1.218 1.00 0.00 C ATOM 0 H PHE A 63 2.502 16.774 1.236 1.00 0.00 H new ATOM 0 HA PHE A 63 0.519 14.796 0.999 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -0.131 16.846 1.948 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.655 17.794 0.701 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -2.198 15.460 1.258 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -0.574 18.584 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -4.332 15.645 0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -2.708 18.772 -2.344 1.00 0.00 H new ATOM 0 HZ PHE A 63 -4.593 17.304 -1.746 1.00 0.00 H new ATOM 934 N GLU A 64 1.846 15.602 -1.761 1.00 0.00 N ATOM 935 CA GLU A 64 1.843 15.401 -3.205 1.00 0.00 C ATOM 936 C GLU A 64 1.896 13.915 -3.548 1.00 0.00 C ATOM 937 O GLU A 64 0.939 13.356 -4.084 1.00 0.00 O ATOM 938 CB GLU A 64 3.028 16.126 -3.847 1.00 0.00 C ATOM 939 CG GLU A 64 2.711 17.549 -4.276 1.00 0.00 C ATOM 940 CD GLU A 64 1.957 17.607 -5.590 1.00 0.00 C ATOM 941 OE1 GLU A 64 2.372 16.916 -6.544 1.00 0.00 O ATOM 942 OE2 GLU A 64 0.952 18.345 -5.665 1.00 0.00 O ATOM 0 H GLU A 64 2.748 15.883 -1.376 1.00 0.00 H new ATOM 0 HA GLU A 64 0.916 15.815 -3.601 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.858 16.145 -3.140 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.362 15.559 -4.716 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.120 18.035 -3.500 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.640 18.112 -4.369 1.00 0.00 H new ATOM 949 N ASP A 65 3.021 13.282 -3.234 1.00 0.00 N ATOM 950 CA ASP A 65 3.200 11.860 -3.507 1.00 0.00 C ATOM 951 C ASP A 65 2.178 11.027 -2.741 1.00 0.00 C ATOM 952 O ASP A 65 1.718 9.992 -3.225 1.00 0.00 O ATOM 953 CB ASP A 65 4.617 11.422 -3.133 1.00 0.00 C ATOM 954 CG ASP A 65 5.633 11.778 -4.200 1.00 0.00 C ATOM 955 OD1 ASP A 65 5.226 11.982 -5.363 1.00 0.00 O ATOM 956 OD2 ASP A 65 6.836 11.853 -3.872 1.00 0.00 O ATOM 0 H ASP A 65 3.823 13.731 -2.790 1.00 0.00 H new ATOM 0 HA ASP A 65 3.048 11.698 -4.574 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.903 11.892 -2.192 1.00 0.00 H new ATOM 0 HB3 ASP A 65 4.630 10.345 -2.968 1.00 0.00 H new ATOM 961 N ALA A 66 1.827 11.483 -1.543 1.00 0.00 N ATOM 962 CA ALA A 66 0.859 10.780 -0.711 1.00 0.00 C ATOM 963 C ALA A 66 -0.501 10.702 -1.397 1.00 0.00 C ATOM 964 O ALA A 66 -1.036 9.615 -1.615 1.00 0.00 O ATOM 965 CB ALA A 66 0.730 11.465 0.642 1.00 0.00 C ATOM 0 H ALA A 66 2.199 12.337 -1.127 1.00 0.00 H new ATOM 0 HA ALA A 66 1.219 9.763 -0.559 1.00 0.00 H new ATOM 0 HB1 ALA A 66 0.004 10.929 1.253 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.698 11.464 1.144 1.00 0.00 H new ATOM 0 HB3 ALA A 66 0.396 12.493 0.499 1.00 0.00 H new ATOM 971 N LYS A 67 -1.055 11.861 -1.736 1.00 0.00 N ATOM 972 CA LYS A 67 -2.352 11.925 -2.399 1.00 0.00 C ATOM 973 C LYS A 67 -2.297 11.256 -3.769 1.00 0.00 C ATOM 974 O LYS A 67 -3.321 10.835 -4.305 1.00 0.00 O ATOM 975 CB LYS A 67 -2.801 13.380 -2.548 1.00 0.00 C ATOM 976 CG LYS A 67 -4.074 13.544 -3.359 1.00 0.00 C ATOM 977 CD LYS A 67 -5.270 12.929 -2.651 1.00 0.00 C ATOM 978 CE LYS A 67 -5.672 13.741 -1.429 1.00 0.00 C ATOM 979 NZ LYS A 67 -7.093 13.506 -1.050 1.00 0.00 N ATOM 0 H LYS A 67 -0.625 12.770 -1.562 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.074 11.390 -1.782 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.954 13.807 -1.557 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.002 13.951 -3.022 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.260 14.603 -3.536 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.947 13.076 -4.335 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.111 12.868 -3.342 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -5.031 11.909 -2.349 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.025 13.481 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -5.521 14.801 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -7.328 14.077 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.712 13.778 -1.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.232 12.499 -0.832 1.00 0.00 H new ATOM 993 N GLU A 68 -1.094 11.162 -4.328 1.00 0.00 N ATOM 994 CA GLU A 68 -0.907 10.544 -5.635 1.00 0.00 C ATOM 995 C GLU A 68 -1.135 9.036 -5.562 1.00 0.00 C ATOM 996 O GLU A 68 -1.740 8.445 -6.456 1.00 0.00 O ATOM 997 CB GLU A 68 0.499 10.833 -6.165 1.00 0.00 C ATOM 998 CG GLU A 68 0.850 10.050 -7.418 1.00 0.00 C ATOM 999 CD GLU A 68 0.318 10.700 -8.681 1.00 0.00 C ATOM 1000 OE1 GLU A 68 0.997 11.599 -9.218 1.00 0.00 O ATOM 1001 OE2 GLU A 68 -0.780 10.308 -9.131 1.00 0.00 O ATOM 0 H GLU A 68 -0.236 11.506 -3.896 1.00 0.00 H new ATOM 0 HA GLU A 68 -1.640 10.972 -6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 68 0.586 11.899 -6.376 1.00 0.00 H new ATOM 0 HB3 GLU A 68 1.226 10.602 -5.387 1.00 0.00 H new ATOM 0 HG2 GLU A 68 1.933 9.956 -7.491 1.00 0.00 H new ATOM 0 HG3 GLU A 68 0.447 9.041 -7.336 1.00 0.00 H new ATOM 1008 N ALA A 69 -0.645 8.421 -4.490 1.00 0.00 N ATOM 1009 CA ALA A 69 -0.795 6.984 -4.299 1.00 0.00 C ATOM 1010 C ALA A 69 -2.099 6.660 -3.577 1.00 0.00 C ATOM 1011 O ALA A 69 -2.614 5.546 -3.674 1.00 0.00 O ATOM 1012 CB ALA A 69 0.391 6.428 -3.526 1.00 0.00 C ATOM 0 H ALA A 69 -0.141 8.896 -3.741 1.00 0.00 H new ATOM 0 HA ALA A 69 -0.827 6.513 -5.281 1.00 0.00 H new ATOM 0 HB1 ALA A 69 0.266 5.354 -3.391 1.00 0.00 H new ATOM 0 HB2 ALA A 69 1.309 6.619 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 69 0.449 6.912 -2.551 1.00 0.00 H new ATOM 1018 N LEU A 70 -2.627 7.640 -2.852 1.00 0.00 N ATOM 1019 CA LEU A 70 -3.871 7.459 -2.112 1.00 0.00 C ATOM 1020 C LEU A 70 -5.077 7.556 -3.041 1.00 0.00 C ATOM 1021 O LEU A 70 -6.151 7.041 -2.735 1.00 0.00 O ATOM 1022 CB LEU A 70 -3.984 8.505 -1.001 1.00 0.00 C ATOM 1023 CG LEU A 70 -5.403 8.877 -0.571 1.00 0.00 C ATOM 1024 CD1 LEU A 70 -6.026 7.753 0.244 1.00 0.00 C ATOM 1025 CD2 LEU A 70 -5.397 10.174 0.224 1.00 0.00 C ATOM 0 H LEU A 70 -2.213 8.568 -2.761 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.858 6.464 -1.667 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -3.446 8.137 -0.127 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -3.476 9.412 -1.330 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.006 9.026 -1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.036 8.036 0.541 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.066 6.846 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.423 7.572 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.416 10.423 0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.778 10.053 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -4.993 10.977 -0.393 1.00 0.00 H new ATOM 1037 N ASN A 71 -4.889 8.218 -4.178 1.00 0.00 N ATOM 1038 CA ASN A 71 -5.961 8.381 -5.154 1.00 0.00 C ATOM 1039 C ASN A 71 -6.118 7.124 -6.004 1.00 0.00 C ATOM 1040 O ASN A 71 -7.225 6.772 -6.411 1.00 0.00 O ATOM 1041 CB ASN A 71 -5.682 9.587 -6.053 1.00 0.00 C ATOM 1042 CG ASN A 71 -6.172 10.887 -5.445 1.00 0.00 C ATOM 1043 OD1 ASN A 71 -7.228 10.930 -4.812 1.00 0.00 O ATOM 1044 ND2 ASN A 71 -5.407 11.955 -5.635 1.00 0.00 N ATOM 0 H ASN A 71 -4.005 8.650 -4.446 1.00 0.00 H new ATOM 0 HA ASN A 71 -6.891 8.549 -4.611 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -4.610 9.657 -6.240 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -6.164 9.436 -7.019 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -5.686 12.857 -5.250 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -4.540 11.873 -6.166 1.00 0.00 H new ATOM 1051 N SER A 72 -5.002 6.452 -6.268 1.00 0.00 N ATOM 1052 CA SER A 72 -5.015 5.236 -7.073 1.00 0.00 C ATOM 1053 C SER A 72 -5.110 3.998 -6.186 1.00 0.00 C ATOM 1054 O SER A 72 -6.117 3.289 -6.197 1.00 0.00 O ATOM 1055 CB SER A 72 -3.757 5.160 -7.940 1.00 0.00 C ATOM 1056 OG SER A 72 -3.975 4.352 -9.084 1.00 0.00 O ATOM 0 H SER A 72 -4.078 6.729 -5.936 1.00 0.00 H new ATOM 0 HA SER A 72 -5.892 5.267 -7.719 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.464 6.163 -8.250 1.00 0.00 H new ATOM 0 HB3 SER A 72 -2.932 4.753 -7.355 1.00 0.00 H new ATOM 0 HG SER A 72 -3.157 4.320 -9.623 1.00 0.00 H new ATOM 1062 N CYS A 73 -4.056 3.745 -5.419 1.00 0.00 N ATOM 1063 CA CYS A 73 -4.018 2.593 -4.526 1.00 0.00 C ATOM 1064 C CYS A 73 -5.368 2.389 -3.845 1.00 0.00 C ATOM 1065 O CYS A 73 -5.759 1.261 -3.545 1.00 0.00 O ATOM 1066 CB CYS A 73 -2.925 2.773 -3.472 1.00 0.00 C ATOM 1067 SG CYS A 73 -1.286 3.111 -4.159 1.00 0.00 S ATOM 0 H CYS A 73 -3.216 4.323 -5.398 1.00 0.00 H new ATOM 0 HA CYS A 73 -3.794 1.709 -5.123 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -3.205 3.592 -2.809 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.872 1.872 -2.861 1.00 0.00 H new ATOM 0 HG CYS A 73 -0.444 3.320 -3.191 1.00 0.00 H new ATOM 1073 N ASN A 74 -6.075 3.488 -3.604 1.00 0.00 N ATOM 1074 CA ASN A 74 -7.381 3.429 -2.956 1.00 0.00 C ATOM 1075 C ASN A 74 -8.139 2.172 -3.372 1.00 0.00 C ATOM 1076 O ASN A 74 -8.331 1.914 -4.561 1.00 0.00 O ATOM 1077 CB ASN A 74 -8.202 4.672 -3.305 1.00 0.00 C ATOM 1078 CG ASN A 74 -9.164 5.059 -2.199 1.00 0.00 C ATOM 1079 OD1 ASN A 74 -10.367 5.196 -2.426 1.00 0.00 O ATOM 1080 ND2 ASN A 74 -8.638 5.237 -0.993 1.00 0.00 N ATOM 0 H ASN A 74 -5.766 4.429 -3.847 1.00 0.00 H new ATOM 0 HA ASN A 74 -7.223 3.396 -1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -7.528 5.505 -3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 74 -8.762 4.489 -4.222 1.00 0.00 H new ATOM 0 HD21 ASN A 74 -9.236 5.498 -0.209 1.00 0.00 H new ATOM 0 HD22 ASN A 74 -7.636 5.113 -0.850 1.00 0.00 H new ATOM 1087 N LYS A 75 -8.568 1.393 -2.385 1.00 0.00 N ATOM 1088 CA LYS A 75 -9.307 0.163 -2.646 1.00 0.00 C ATOM 1089 C LYS A 75 -8.493 -0.785 -3.521 1.00 0.00 C ATOM 1090 O LYS A 75 -8.955 -1.223 -4.574 1.00 0.00 O ATOM 1091 CB LYS A 75 -10.642 0.480 -3.324 1.00 0.00 C ATOM 1092 CG LYS A 75 -11.449 1.548 -2.607 1.00 0.00 C ATOM 1093 CD LYS A 75 -12.317 0.951 -1.512 1.00 0.00 C ATOM 1094 CE LYS A 75 -12.676 1.987 -0.458 1.00 0.00 C ATOM 1095 NZ LYS A 75 -13.839 2.820 -0.872 1.00 0.00 N ATOM 0 H LYS A 75 -8.417 1.592 -1.396 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.499 -0.326 -1.691 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -10.452 0.805 -4.347 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -11.235 -0.433 -3.384 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -10.774 2.287 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -12.078 2.073 -3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -13.229 0.545 -1.950 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -11.791 0.120 -1.042 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -12.905 1.485 0.482 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -11.816 2.631 -0.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -14.052 3.514 -0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -13.611 3.320 -1.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -14.667 2.209 -1.023 1.00 0.00 H new ATOM 1109 N ARG A 76 -7.280 -1.099 -3.076 1.00 0.00 N ATOM 1110 CA ARG A 76 -6.403 -1.995 -3.819 1.00 0.00 C ATOM 1111 C ARG A 76 -6.603 -3.442 -3.376 1.00 0.00 C ATOM 1112 O ARG A 76 -6.492 -3.759 -2.192 1.00 0.00 O ATOM 1113 CB ARG A 76 -4.941 -1.589 -3.625 1.00 0.00 C ATOM 1114 CG ARG A 76 -3.950 -2.579 -4.215 1.00 0.00 C ATOM 1115 CD ARG A 76 -3.656 -2.269 -5.675 1.00 0.00 C ATOM 1116 NE ARG A 76 -2.523 -3.040 -6.180 1.00 0.00 N ATOM 1117 CZ ARG A 76 -2.568 -4.348 -6.411 1.00 0.00 C ATOM 1118 NH1 ARG A 76 -3.684 -5.026 -6.182 1.00 0.00 N ATOM 1119 NH2 ARG A 76 -1.496 -4.979 -6.871 1.00 0.00 N ATOM 0 H ARG A 76 -6.883 -0.746 -2.205 1.00 0.00 H new ATOM 0 HA ARG A 76 -6.657 -1.918 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -4.781 -0.612 -4.081 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -4.742 -1.480 -2.559 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -3.023 -2.553 -3.642 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -4.349 -3.590 -4.130 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -4.539 -2.485 -6.277 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -3.448 -1.205 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.649 -2.548 -6.366 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -4.510 -4.544 -5.828 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -3.717 -6.030 -6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -0.636 -4.460 -7.048 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -1.532 -5.983 -7.048 1.00 0.00 H new ATOM 1133 N GLU A 77 -6.899 -4.313 -4.335 1.00 0.00 N ATOM 1134 CA GLU A 77 -7.116 -5.726 -4.043 1.00 0.00 C ATOM 1135 C GLU A 77 -5.787 -6.458 -3.880 1.00 0.00 C ATOM 1136 O GLU A 77 -5.121 -6.784 -4.864 1.00 0.00 O ATOM 1137 CB GLU A 77 -7.938 -6.379 -5.156 1.00 0.00 C ATOM 1138 CG GLU A 77 -9.438 -6.300 -4.931 1.00 0.00 C ATOM 1139 CD GLU A 77 -10.230 -6.451 -6.215 1.00 0.00 C ATOM 1140 OE1 GLU A 77 -10.290 -5.477 -6.994 1.00 0.00 O ATOM 1141 OE2 GLU A 77 -10.789 -7.545 -6.441 1.00 0.00 O ATOM 0 H GLU A 77 -6.994 -4.066 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 77 -7.667 -5.797 -3.105 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.696 -5.899 -6.104 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.647 -7.426 -5.245 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -9.738 -7.079 -4.230 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -9.682 -5.344 -4.468 1.00 0.00 H new ATOM 1148 N ILE A 78 -5.407 -6.712 -2.632 1.00 0.00 N ATOM 1149 CA ILE A 78 -4.159 -7.406 -2.341 1.00 0.00 C ATOM 1150 C ILE A 78 -4.415 -8.700 -1.576 1.00 0.00 C ATOM 1151 O ILE A 78 -5.166 -8.718 -0.602 1.00 0.00 O ATOM 1152 CB ILE A 78 -3.200 -6.520 -1.523 1.00 0.00 C ATOM 1153 CG1 ILE A 78 -2.842 -5.257 -2.309 1.00 0.00 C ATOM 1154 CG2 ILE A 78 -1.944 -7.297 -1.156 1.00 0.00 C ATOM 1155 CD1 ILE A 78 -1.883 -4.344 -1.579 1.00 0.00 C ATOM 0 H ILE A 78 -5.945 -6.448 -1.807 1.00 0.00 H new ATOM 0 HA ILE A 78 -3.696 -7.639 -3.300 1.00 0.00 H new ATOM 0 HB ILE A 78 -3.701 -6.222 -0.602 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -2.401 -5.545 -3.263 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.756 -4.707 -2.533 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -1.276 -6.658 -0.578 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -2.216 -8.169 -0.561 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -1.438 -7.622 -2.065 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -1.673 -3.469 -2.195 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -2.329 -4.026 -0.637 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -0.954 -4.878 -1.379 1.00 0.00 H new ATOM 1167 N GLU A 79 -3.783 -9.781 -2.023 1.00 0.00 N ATOM 1168 CA GLU A 79 -3.942 -11.079 -1.380 1.00 0.00 C ATOM 1169 C GLU A 79 -5.415 -11.469 -1.298 1.00 0.00 C ATOM 1170 O GLU A 79 -5.822 -12.221 -0.413 1.00 0.00 O ATOM 1171 CB GLU A 79 -3.331 -11.056 0.023 1.00 0.00 C ATOM 1172 CG GLU A 79 -1.822 -10.879 0.026 1.00 0.00 C ATOM 1173 CD GLU A 79 -1.104 -11.977 -0.734 1.00 0.00 C ATOM 1174 OE1 GLU A 79 -1.132 -13.136 -0.271 1.00 0.00 O ATOM 1175 OE2 GLU A 79 -0.514 -11.676 -1.793 1.00 0.00 O ATOM 0 H GLU A 79 -3.156 -9.783 -2.828 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.420 -11.821 -1.984 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -3.785 -10.246 0.595 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -3.580 -11.986 0.534 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -1.572 -9.914 -0.415 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.464 -10.861 1.055 1.00 0.00 H new ATOM 1182 N GLY A 80 -6.211 -10.951 -2.228 1.00 0.00 N ATOM 1183 CA GLY A 80 -7.630 -11.255 -2.244 1.00 0.00 C ATOM 1184 C GLY A 80 -8.406 -10.452 -1.219 1.00 0.00 C ATOM 1185 O GLY A 80 -9.499 -10.846 -0.811 1.00 0.00 O ATOM 0 H GLY A 80 -5.898 -10.326 -2.971 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.030 -11.054 -3.238 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.773 -12.318 -2.052 1.00 0.00 H new ATOM 1189 N ARG A 81 -7.841 -9.325 -0.800 1.00 0.00 N ATOM 1190 CA ARG A 81 -8.486 -8.467 0.186 1.00 0.00 C ATOM 1191 C ARG A 81 -8.332 -6.996 -0.190 1.00 0.00 C ATOM 1192 O ARG A 81 -7.221 -6.468 -0.232 1.00 0.00 O ATOM 1193 CB ARG A 81 -7.893 -8.714 1.574 1.00 0.00 C ATOM 1194 CG ARG A 81 -8.475 -9.928 2.278 1.00 0.00 C ATOM 1195 CD ARG A 81 -8.036 -9.994 3.732 1.00 0.00 C ATOM 1196 NE ARG A 81 -8.423 -11.252 4.365 1.00 0.00 N ATOM 1197 CZ ARG A 81 -9.673 -11.553 4.697 1.00 0.00 C ATOM 1198 NH1 ARG A 81 -10.652 -10.692 4.457 1.00 0.00 N ATOM 1199 NH2 ARG A 81 -9.946 -12.719 5.270 1.00 0.00 N ATOM 0 H ARG A 81 -6.937 -8.985 -1.128 1.00 0.00 H new ATOM 0 HA ARG A 81 -9.548 -8.711 0.204 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -6.814 -8.841 1.482 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -8.058 -7.832 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -9.563 -9.892 2.227 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -8.161 -10.835 1.761 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -6.954 -9.877 3.789 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -8.476 -9.162 4.281 1.00 0.00 H new ATOM 0 HE ARG A 81 -7.693 -11.937 4.563 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -10.446 -9.796 4.016 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -11.611 -10.926 4.713 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -9.195 -13.384 5.455 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -10.906 -12.950 5.525 1.00 0.00 H new ATOM 1213 N ALA A 82 -9.455 -6.340 -0.463 1.00 0.00 N ATOM 1214 CA ALA A 82 -9.446 -4.930 -0.834 1.00 0.00 C ATOM 1215 C ALA A 82 -8.928 -4.065 0.310 1.00 0.00 C ATOM 1216 O ALA A 82 -9.400 -4.170 1.443 1.00 0.00 O ATOM 1217 CB ALA A 82 -10.841 -4.484 -1.246 1.00 0.00 C ATOM 0 H ALA A 82 -10.383 -6.762 -0.434 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.772 -4.807 -1.682 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -10.820 -3.429 -1.520 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -11.174 -5.074 -2.099 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -11.530 -4.628 -0.414 1.00 0.00 H new ATOM 1223 N ILE A 83 -7.956 -3.212 0.007 1.00 0.00 N ATOM 1224 CA ILE A 83 -7.375 -2.329 1.011 1.00 0.00 C ATOM 1225 C ILE A 83 -7.747 -0.874 0.745 1.00 0.00 C ATOM 1226 O ILE A 83 -7.726 -0.416 -0.398 1.00 0.00 O ATOM 1227 CB ILE A 83 -5.840 -2.455 1.051 1.00 0.00 C ATOM 1228 CG1 ILE A 83 -5.214 -1.703 -0.126 1.00 0.00 C ATOM 1229 CG2 ILE A 83 -5.428 -3.919 1.030 1.00 0.00 C ATOM 1230 CD1 ILE A 83 -4.872 -0.264 0.190 1.00 0.00 C ATOM 0 H ILE A 83 -7.554 -3.113 -0.925 1.00 0.00 H new ATOM 0 HA ILE A 83 -7.782 -2.636 1.974 1.00 0.00 H new ATOM 0 HB ILE A 83 -5.478 -2.009 1.977 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -4.308 -2.223 -0.439 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.903 -1.727 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.341 -3.991 1.059 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -5.849 -4.428 1.897 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.799 -4.388 0.119 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -4.433 0.207 -0.689 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -5.778 0.271 0.474 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -4.159 -0.232 1.013 1.00 0.00 H new ATOM 1242 N ARG A 84 -8.087 -0.152 1.808 1.00 0.00 N ATOM 1243 CA ARG A 84 -8.463 1.251 1.689 1.00 0.00 C ATOM 1244 C ARG A 84 -7.423 2.151 2.351 1.00 0.00 C ATOM 1245 O ARG A 84 -6.737 1.740 3.288 1.00 0.00 O ATOM 1246 CB ARG A 84 -9.835 1.488 2.323 1.00 0.00 C ATOM 1247 CG ARG A 84 -10.323 2.923 2.201 1.00 0.00 C ATOM 1248 CD ARG A 84 -11.639 3.128 2.935 1.00 0.00 C ATOM 1249 NE ARG A 84 -12.393 4.259 2.401 1.00 0.00 N ATOM 1250 CZ ARG A 84 -13.644 4.537 2.748 1.00 0.00 C ATOM 1251 NH1 ARG A 84 -14.279 3.771 3.624 1.00 0.00 N ATOM 1252 NH2 ARG A 84 -14.264 5.584 2.217 1.00 0.00 N ATOM 0 H ARG A 84 -8.110 -0.516 2.761 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.512 1.500 0.629 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.562 0.825 1.854 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -9.790 1.217 3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.570 3.600 2.605 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.449 3.178 1.149 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -12.241 2.223 2.859 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -11.442 3.292 3.994 1.00 0.00 H new ATOM 0 HE ARG A 84 -11.933 4.869 1.725 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -13.807 2.965 4.034 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -15.240 3.987 3.888 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -13.779 6.175 1.542 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -15.225 5.797 2.484 1.00 0.00 H new ATOM 1266 N LEU A 85 -7.312 3.379 1.858 1.00 0.00 N ATOM 1267 CA LEU A 85 -6.356 4.338 2.401 1.00 0.00 C ATOM 1268 C LEU A 85 -7.051 5.636 2.799 1.00 0.00 C ATOM 1269 O LEU A 85 -7.899 6.145 2.067 1.00 0.00 O ATOM 1270 CB LEU A 85 -5.257 4.628 1.377 1.00 0.00 C ATOM 1271 CG LEU A 85 -4.483 3.414 0.862 1.00 0.00 C ATOM 1272 CD1 LEU A 85 -4.007 3.650 -0.563 1.00 0.00 C ATOM 1273 CD2 LEU A 85 -3.306 3.105 1.775 1.00 0.00 C ATOM 0 H LEU A 85 -7.872 3.735 1.083 1.00 0.00 H new ATOM 0 HA LEU A 85 -5.907 3.900 3.293 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.708 5.135 0.524 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -4.547 5.324 1.823 1.00 0.00 H new ATOM 0 HG LEU A 85 -5.152 2.554 0.862 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -3.458 2.776 -0.913 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.867 3.821 -1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.354 4.522 -0.589 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.767 2.238 1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -2.636 3.964 1.808 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.671 2.891 2.780 1.00 0.00 H new ATOM 1285 N GLU A 86 -6.685 6.166 3.961 1.00 0.00 N ATOM 1286 CA GLU A 86 -7.274 7.405 4.455 1.00 0.00 C ATOM 1287 C GLU A 86 -6.210 8.301 5.083 1.00 0.00 C ATOM 1288 O GLU A 86 -5.402 7.849 5.895 1.00 0.00 O ATOM 1289 CB GLU A 86 -8.371 7.103 5.478 1.00 0.00 C ATOM 1290 CG GLU A 86 -9.752 6.957 4.863 1.00 0.00 C ATOM 1291 CD GLU A 86 -10.850 6.885 5.907 1.00 0.00 C ATOM 1292 OE1 GLU A 86 -11.359 7.953 6.306 1.00 0.00 O ATOM 1293 OE2 GLU A 86 -11.200 5.761 6.324 1.00 0.00 O ATOM 0 H GLU A 86 -5.983 5.757 4.578 1.00 0.00 H new ATOM 0 HA GLU A 86 -7.713 7.931 3.607 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -8.119 6.184 6.008 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -8.395 7.902 6.219 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.941 7.801 4.199 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -9.779 6.056 4.249 1.00 0.00 H new ATOM 1300 N LEU A 87 -6.215 9.573 4.700 1.00 0.00 N ATOM 1301 CA LEU A 87 -5.250 10.534 5.225 1.00 0.00 C ATOM 1302 C LEU A 87 -5.380 10.664 6.739 1.00 0.00 C ATOM 1303 O LEU A 87 -6.472 10.887 7.260 1.00 0.00 O ATOM 1304 CB LEU A 87 -5.450 11.899 4.565 1.00 0.00 C ATOM 1305 CG LEU A 87 -5.022 12.005 3.100 1.00 0.00 C ATOM 1306 CD1 LEU A 87 -5.297 13.401 2.564 1.00 0.00 C ATOM 1307 CD2 LEU A 87 -3.549 11.654 2.948 1.00 0.00 C ATOM 0 H LEU A 87 -6.876 9.963 4.028 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.249 10.169 4.995 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.505 12.163 4.635 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -4.897 12.642 5.139 1.00 0.00 H new ATOM 0 HG LEU A 87 -5.607 11.293 2.518 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -4.986 13.458 1.521 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.363 13.615 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -4.739 14.132 3.149 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -3.262 11.735 1.900 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.948 12.342 3.543 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -3.381 10.634 3.293 1.00 0.00 H new ATOM 1319 N GLN A 88 -4.258 10.526 7.438 1.00 0.00 N ATOM 1320 CA GLN A 88 -4.247 10.630 8.892 1.00 0.00 C ATOM 1321 C GLN A 88 -4.422 12.079 9.336 1.00 0.00 C ATOM 1322 O GLN A 88 -3.781 12.984 8.802 1.00 0.00 O ATOM 1323 CB GLN A 88 -2.942 10.066 9.456 1.00 0.00 C ATOM 1324 CG GLN A 88 -3.070 9.535 10.874 1.00 0.00 C ATOM 1325 CD GLN A 88 -1.730 9.392 11.568 1.00 0.00 C ATOM 1326 OE1 GLN A 88 -1.276 10.304 12.260 1.00 0.00 O ATOM 1327 NE2 GLN A 88 -1.088 8.244 11.385 1.00 0.00 N ATOM 0 H GLN A 88 -3.345 10.342 7.021 1.00 0.00 H new ATOM 0 HA GLN A 88 -5.083 10.047 9.278 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -2.593 9.263 8.807 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -2.181 10.846 9.437 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -3.705 10.206 11.453 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -3.568 8.566 10.851 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -1.502 7.515 10.803 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -0.181 8.091 11.826 1.00 0.00 H new