USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 676 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 10 LYS NZ :NH3+ -124:sc= 1.1 (180deg=-0.237) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot -170:sc= -0.0453 USER MOD Single : A 17 LYS NZ :NH3+ 147:sc= -0.546 (180deg=-1.87!) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.104 K(o=0.1,f=-4.7!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -80:sc= 0.904 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.682 USER MOD Single : A 42 CYS SG : rot 76:sc= 1.11 USER MOD Single : A 43 MET CE :methyl 172:sc= -0.0234 (180deg=-0.0394) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.711 K(o=-0.71,f=-1.7) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.01) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 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 -111:sc= 0.0241 USER MOD Single : A 64 LYS NZ :NH3+ -159:sc= -0.0395 (180deg=-0.336) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -8.15! C(o=-8.2!,f=-10!) USER MOD Single : A 68 GLN : amide:sc= -2.12 K(o=-2.1,f=-4.7!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 HIS : no HD1:sc= -2.22 K(o=-2.2,f=-3.6!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -2.1! C(o=-2.1!,f=-6!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ -167:sc=-0.00741 (180deg=-0.132) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.278 5.708 13.313 1.00 0.00 N ATOM 107 CA LYS A 10 7.841 5.501 13.449 1.00 0.00 C ATOM 108 C LYS A 10 7.388 4.285 12.648 1.00 0.00 C ATOM 109 O LYS A 10 8.108 3.801 11.774 1.00 0.00 O ATOM 110 CB LYS A 10 7.080 6.744 12.983 1.00 0.00 C ATOM 111 CG LYS A 10 5.745 6.938 13.683 1.00 0.00 C ATOM 112 CD LYS A 10 5.018 8.167 13.165 1.00 0.00 C ATOM 113 CE LYS A 10 3.530 8.105 13.474 1.00 0.00 C ATOM 114 NZ LYS A 10 2.823 7.124 12.605 1.00 0.00 N ATOM 0 HA LYS A 10 7.623 5.322 14.502 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.700 7.624 13.152 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.911 6.675 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.123 6.056 13.533 1.00 0.00 H new ATOM 0 HG3 LYS A 10 5.907 7.035 14.757 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.447 9.062 13.615 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.164 8.251 12.088 1.00 0.00 H new ATOM 0 HE2 LYS A 10 3.387 7.833 14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.090 9.093 13.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.047 7.601 12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 3.491 6.728 11.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 2.437 6.357 13.191 1.00 0.00 H new ATOM 128 N LEU A 11 6.191 3.795 12.951 1.00 0.00 N ATOM 129 CA LEU A 11 5.640 2.636 12.258 1.00 0.00 C ATOM 130 C LEU A 11 4.364 3.004 11.508 1.00 0.00 C ATOM 131 O LEU A 11 3.459 3.622 12.068 1.00 0.00 O ATOM 132 CB LEU A 11 5.353 1.510 13.253 1.00 0.00 C ATOM 133 CG LEU A 11 6.527 1.076 14.132 1.00 0.00 C ATOM 134 CD1 LEU A 11 6.058 0.114 15.212 1.00 0.00 C ATOM 135 CD2 LEU A 11 7.620 0.440 13.286 1.00 0.00 C ATOM 0 H LEU A 11 5.583 4.183 13.673 1.00 0.00 H new ATOM 0 HA LEU A 11 6.379 2.293 11.534 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.536 1.825 13.902 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.001 0.641 12.697 1.00 0.00 H new ATOM 0 HG LEU A 11 6.940 1.961 14.617 1.00 0.00 H new ATOM 0 HD11 LEU A 11 6.907 -0.184 15.827 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.311 0.604 15.837 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.619 -0.769 14.747 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.447 0.137 13.928 1.00 0.00 H new ATOM 0 HD22 LEU A 11 7.220 -0.435 12.773 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.977 1.161 12.550 1.00 0.00 H new ATOM 147 N VAL A 12 4.299 2.619 10.237 1.00 0.00 N ATOM 148 CA VAL A 12 3.132 2.906 9.411 1.00 0.00 C ATOM 149 C VAL A 12 2.392 1.626 9.041 1.00 0.00 C ATOM 150 O VAL A 12 2.863 0.841 8.217 1.00 0.00 O ATOM 151 CB VAL A 12 3.528 3.649 8.120 1.00 0.00 C ATOM 152 CG1 VAL A 12 2.396 3.595 7.105 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.909 5.088 8.430 1.00 0.00 C ATOM 0 H VAL A 12 5.040 2.108 9.757 1.00 0.00 H new ATOM 0 HA VAL A 12 2.475 3.544 10.002 1.00 0.00 H new ATOM 0 HB VAL A 12 4.396 3.153 7.687 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.693 4.125 6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.175 2.556 6.861 1.00 0.00 H new ATOM 0 HG13 VAL A 12 1.507 4.066 7.526 1.00 0.00 H new ATOM 0 HG21 VAL A 12 4.186 5.598 7.507 1.00 0.00 H new ATOM 0 HG22 VAL A 12 3.061 5.599 8.886 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.754 5.100 9.119 1.00 0.00 H new ATOM 163 N ARG A 13 1.232 1.421 9.655 1.00 0.00 N ATOM 164 CA ARG A 13 0.426 0.235 9.391 1.00 0.00 C ATOM 165 C ARG A 13 -0.477 0.450 8.180 1.00 0.00 C ATOM 166 O ARG A 13 -1.148 1.476 8.068 1.00 0.00 O ATOM 167 CB ARG A 13 -0.420 -0.116 10.616 1.00 0.00 C ATOM 168 CG ARG A 13 0.402 -0.450 11.849 1.00 0.00 C ATOM 169 CD ARG A 13 -0.478 -0.610 13.079 1.00 0.00 C ATOM 170 NE ARG A 13 -1.201 0.618 13.398 1.00 0.00 N ATOM 171 CZ ARG A 13 -1.673 0.901 14.607 1.00 0.00 C ATOM 172 NH1 ARG A 13 -1.498 0.047 15.607 1.00 0.00 N ATOM 173 NH2 ARG A 13 -2.321 2.039 14.819 1.00 0.00 N ATOM 0 H ARG A 13 0.829 2.061 10.339 1.00 0.00 H new ATOM 0 HA ARG A 13 1.102 -0.593 9.176 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.078 0.722 10.845 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.059 -0.966 10.374 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.960 -1.371 11.677 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.134 0.338 12.024 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.191 -1.417 12.912 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.138 -0.900 13.930 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.352 1.296 12.651 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.000 -0.829 15.448 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.861 0.266 16.535 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.458 2.698 14.053 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.683 2.254 15.748 1.00 0.00 H new ATOM 187 N ILE A 14 -0.487 -0.524 7.276 1.00 0.00 N ATOM 188 CA ILE A 14 -1.307 -0.442 6.074 1.00 0.00 C ATOM 189 C ILE A 14 -2.242 -1.641 5.963 1.00 0.00 C ATOM 190 O ILE A 14 -1.797 -2.789 5.936 1.00 0.00 O ATOM 191 CB ILE A 14 -0.439 -0.363 4.804 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.547 0.803 4.905 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.317 -0.215 3.570 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.095 2.157 4.699 1.00 0.00 C ATOM 0 H ILE A 14 0.064 -1.379 7.353 1.00 0.00 H new ATOM 0 HA ILE A 14 -1.898 0.470 6.158 1.00 0.00 H new ATOM 0 HB ILE A 14 0.129 -1.289 4.713 1.00 0.00 H new ATOM 0 HG12 ILE A 14 1.024 0.781 5.885 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.335 0.667 4.164 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.689 -0.161 2.681 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.983 -1.075 3.492 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.909 0.696 3.652 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.663 2.936 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.548 2.198 3.708 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -0.864 2.314 5.456 1.00 0.00 H new ATOM 206 N TYR A 15 -3.541 -1.368 5.898 1.00 0.00 N ATOM 207 CA TYR A 15 -4.540 -2.425 5.791 1.00 0.00 C ATOM 208 C TYR A 15 -4.887 -2.700 4.331 1.00 0.00 C ATOM 209 O TYR A 15 -5.673 -1.977 3.719 1.00 0.00 O ATOM 210 CB TYR A 15 -5.803 -2.041 6.563 1.00 0.00 C ATOM 211 CG TYR A 15 -5.529 -1.552 7.967 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.177 -2.439 8.977 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.624 -0.203 8.285 1.00 0.00 C ATOM 214 CE1 TYR A 15 -4.927 -1.997 10.261 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.374 0.249 9.566 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.026 -0.652 10.551 1.00 0.00 C ATOM 217 OH TYR A 15 -4.777 -0.207 11.829 1.00 0.00 O ATOM 0 H TYR A 15 -3.926 -0.424 5.918 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.120 -3.333 6.223 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.332 -1.263 6.013 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.466 -2.905 6.611 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.098 -3.493 8.754 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -5.898 0.505 7.517 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.655 -2.701 11.034 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.451 1.302 9.795 1.00 0.00 H new ATOM 0 HH TYR A 15 -4.889 0.766 11.864 1.00 0.00 H new ATOM 227 N THR A 16 -4.294 -3.754 3.777 1.00 0.00 N ATOM 228 CA THR A 16 -4.538 -4.126 2.390 1.00 0.00 C ATOM 229 C THR A 16 -5.968 -4.617 2.196 1.00 0.00 C ATOM 230 O THR A 16 -6.505 -5.345 3.031 1.00 0.00 O ATOM 231 CB THR A 16 -3.563 -5.224 1.923 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.414 -5.174 0.500 1.00 0.00 O ATOM 233 CG2 THR A 16 -4.060 -6.601 2.338 1.00 0.00 C ATOM 0 H THR A 16 -3.641 -4.364 4.269 1.00 0.00 H new ATOM 0 HA THR A 16 -4.380 -3.230 1.790 1.00 0.00 H new ATOM 0 HB THR A 16 -2.597 -5.046 2.395 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.923 -5.965 0.194 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.356 -7.360 1.997 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.144 -6.645 3.424 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.037 -6.785 1.890 1.00 0.00 H new ATOM 241 N LYS A 17 -6.582 -4.215 1.088 1.00 0.00 N ATOM 242 CA LYS A 17 -7.950 -4.614 0.782 1.00 0.00 C ATOM 243 C LYS A 17 -7.989 -5.538 -0.431 1.00 0.00 C ATOM 244 O LYS A 17 -7.470 -5.219 -1.501 1.00 0.00 O ATOM 245 CB LYS A 17 -8.818 -3.381 0.525 1.00 0.00 C ATOM 246 CG LYS A 17 -10.263 -3.712 0.192 1.00 0.00 C ATOM 247 CD LYS A 17 -11.037 -2.473 -0.227 1.00 0.00 C ATOM 248 CE LYS A 17 -11.601 -1.735 0.977 1.00 0.00 C ATOM 249 NZ LYS A 17 -12.955 -2.231 1.348 1.00 0.00 N ATOM 0 H LYS A 17 -6.152 -3.612 0.386 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.345 -5.155 1.642 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.795 -2.741 1.407 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.387 -2.808 -0.296 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.293 -4.449 -0.610 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.742 -4.166 1.059 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.383 -1.807 -0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -11.851 -2.759 -0.894 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.926 -1.854 1.825 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.653 -0.669 0.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.078 -2.168 2.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.678 -1.651 0.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.056 -3.222 1.048 1.00 0.00 H new ATOM 263 N PRO A 18 -8.619 -6.710 -0.264 1.00 0.00 N ATOM 264 CA PRO A 18 -8.743 -7.702 -1.336 1.00 0.00 C ATOM 265 C PRO A 18 -9.682 -7.243 -2.446 1.00 0.00 C ATOM 266 O PRO A 18 -10.151 -6.105 -2.446 1.00 0.00 O ATOM 267 CB PRO A 18 -9.318 -8.927 -0.621 1.00 0.00 C ATOM 268 CG PRO A 18 -10.037 -8.373 0.561 1.00 0.00 C ATOM 269 CD PRO A 18 -9.261 -7.156 0.984 1.00 0.00 C ATOM 0 HA PRO A 18 -7.790 -7.888 -1.830 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -9.994 -9.483 -1.270 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -8.529 -9.615 -0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -11.064 -8.112 0.306 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -10.085 -9.105 1.367 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -9.914 -6.387 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -8.525 -7.395 1.751 1.00 0.00 H new ATOM 277 N LYS A 19 -9.954 -8.136 -3.392 1.00 0.00 N ATOM 278 CA LYS A 19 -10.839 -7.824 -4.508 1.00 0.00 C ATOM 279 C LYS A 19 -12.258 -8.309 -4.228 1.00 0.00 C ATOM 280 O LYS A 19 -12.634 -9.415 -4.615 1.00 0.00 O ATOM 281 CB LYS A 19 -10.314 -8.462 -5.796 1.00 0.00 C ATOM 282 CG LYS A 19 -8.919 -8.000 -6.179 1.00 0.00 C ATOM 283 CD LYS A 19 -8.182 -9.059 -6.981 1.00 0.00 C ATOM 284 CE LYS A 19 -7.414 -10.010 -6.075 1.00 0.00 C ATOM 285 NZ LYS A 19 -6.414 -10.812 -6.832 1.00 0.00 N ATOM 0 H LYS A 19 -9.574 -9.082 -3.408 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.862 -6.741 -4.630 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -10.309 -9.546 -5.679 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -11.000 -8.232 -6.611 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.986 -7.082 -6.762 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -8.352 -7.765 -5.278 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.895 -9.623 -7.582 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.492 -8.578 -7.674 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -6.908 -9.440 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.114 -10.680 -5.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -5.912 -11.447 -6.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -6.899 -11.376 -7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -5.731 -10.174 -7.288 1.00 0.00 H new ATOM 299 N GLY A 20 -13.043 -7.473 -3.555 1.00 0.00 N ATOM 300 CA GLY A 20 -14.412 -7.835 -3.238 1.00 0.00 C ATOM 301 C GLY A 20 -14.639 -7.994 -1.747 1.00 0.00 C ATOM 302 O GLY A 20 -15.596 -7.450 -1.198 1.00 0.00 O ATOM 0 H GLY A 20 -12.755 -6.552 -3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -15.086 -7.071 -3.626 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -14.664 -8.768 -3.742 1.00 0.00 H new ATOM 306 N GLN A 21 -13.757 -8.743 -1.093 1.00 0.00 N ATOM 307 CA GLN A 21 -13.868 -8.973 0.343 1.00 0.00 C ATOM 308 C GLN A 21 -13.428 -7.742 1.127 1.00 0.00 C ATOM 309 O GLN A 21 -12.976 -6.753 0.549 1.00 0.00 O ATOM 310 CB GLN A 21 -13.025 -10.182 0.753 1.00 0.00 C ATOM 311 CG GLN A 21 -13.373 -10.727 2.129 1.00 0.00 C ATOM 312 CD GLN A 21 -14.854 -10.631 2.437 1.00 0.00 C ATOM 313 OE1 GLN A 21 -15.283 -9.782 3.219 1.00 0.00 O ATOM 314 NE2 GLN A 21 -15.645 -11.502 1.823 1.00 0.00 N ATOM 0 H GLN A 21 -12.959 -9.200 -1.534 1.00 0.00 H new ATOM 0 HA GLN A 21 -14.914 -9.173 0.574 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -13.155 -10.973 0.014 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -11.972 -9.902 0.738 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -13.059 -11.769 2.193 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -12.812 -10.178 2.886 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -15.247 -12.189 1.183 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -16.651 -11.484 1.992 1.00 0.00 H new ATOM 323 N LEU A 22 -13.564 -7.808 2.447 1.00 0.00 N ATOM 324 CA LEU A 22 -13.180 -6.698 3.312 1.00 0.00 C ATOM 325 C LEU A 22 -11.701 -6.777 3.677 1.00 0.00 C ATOM 326 O LEU A 22 -11.124 -7.857 3.799 1.00 0.00 O ATOM 327 CB LEU A 22 -14.031 -6.699 4.584 1.00 0.00 C ATOM 328 CG LEU A 22 -15.521 -6.413 4.394 1.00 0.00 C ATOM 329 CD1 LEU A 22 -16.304 -6.814 5.635 1.00 0.00 C ATOM 330 CD2 LEU A 22 -15.745 -4.942 4.072 1.00 0.00 C ATOM 0 H LEU A 22 -13.937 -8.618 2.941 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.351 -5.770 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.927 -7.671 5.066 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.624 -5.957 5.271 1.00 0.00 H new ATOM 0 HG LEU A 22 -15.881 -7.007 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -17.362 -6.603 5.481 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -16.170 -7.879 5.821 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -15.942 -6.247 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -16.811 -4.757 3.940 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -15.369 -4.329 4.891 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -15.216 -4.686 3.154 1.00 0.00 H new ATOM 342 N PRO A 23 -11.072 -5.606 3.856 1.00 0.00 N ATOM 343 CA PRO A 23 -9.653 -5.516 4.212 1.00 0.00 C ATOM 344 C PRO A 23 -9.381 -5.992 5.635 1.00 0.00 C ATOM 345 O PRO A 23 -9.978 -5.496 6.591 1.00 0.00 O ATOM 346 CB PRO A 23 -9.349 -4.021 4.081 1.00 0.00 C ATOM 347 CG PRO A 23 -10.661 -3.348 4.289 1.00 0.00 C ATOM 348 CD PRO A 23 -11.699 -4.279 3.727 1.00 0.00 C ATOM 0 HA PRO A 23 -9.033 -6.149 3.577 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.617 -3.699 4.822 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.934 -3.786 3.101 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -10.839 -3.159 5.348 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -10.689 -2.383 3.784 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.635 -4.221 4.283 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.930 -4.043 2.688 1.00 0.00 H new ATOM 356 N ASP A 24 -8.477 -6.956 5.768 1.00 0.00 N ATOM 357 CA ASP A 24 -8.124 -7.498 7.075 1.00 0.00 C ATOM 358 C ASP A 24 -7.645 -6.392 8.011 1.00 0.00 C ATOM 359 O ASP A 24 -6.646 -5.725 7.740 1.00 0.00 O ATOM 360 CB ASP A 24 -7.040 -8.567 6.932 1.00 0.00 C ATOM 361 CG ASP A 24 -7.256 -9.452 5.721 1.00 0.00 C ATOM 362 OD1 ASP A 24 -7.142 -8.944 4.585 1.00 0.00 O ATOM 363 OD2 ASP A 24 -7.539 -10.654 5.907 1.00 0.00 O ATOM 0 H ASP A 24 -7.975 -7.378 4.987 1.00 0.00 H new ATOM 0 HA ASP A 24 -9.017 -7.952 7.505 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -6.066 -8.084 6.856 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -7.021 -9.184 7.830 1.00 0.00 H new ATOM 368 N TYR A 25 -8.364 -6.203 9.112 1.00 0.00 N ATOM 369 CA TYR A 25 -8.015 -5.176 10.086 1.00 0.00 C ATOM 370 C TYR A 25 -7.281 -5.783 11.278 1.00 0.00 C ATOM 371 O TYR A 25 -6.980 -5.095 12.254 1.00 0.00 O ATOM 372 CB TYR A 25 -9.272 -4.448 10.564 1.00 0.00 C ATOM 373 CG TYR A 25 -9.814 -3.454 9.562 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.331 -2.152 9.515 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.810 -3.816 8.663 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.824 -1.240 8.602 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.307 -2.911 7.746 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.811 -1.625 7.719 1.00 0.00 C ATOM 379 OH TYR A 25 -11.305 -0.720 6.808 1.00 0.00 O ATOM 0 H TYR A 25 -9.192 -6.748 9.352 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.352 -4.460 9.600 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -10.045 -5.184 10.788 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -9.048 -3.927 11.495 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.557 -1.848 10.204 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.202 -4.822 8.682 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.439 -0.231 8.580 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.080 -3.209 7.054 1.00 0.00 H new ATOM 0 HH TYR A 25 -11.994 -1.151 6.260 1.00 0.00 H new ATOM 389 N THR A 26 -6.994 -7.079 11.191 1.00 0.00 N ATOM 390 CA THR A 26 -6.296 -7.780 12.261 1.00 0.00 C ATOM 391 C THR A 26 -4.945 -8.303 11.785 1.00 0.00 C ATOM 392 O THR A 26 -4.169 -8.848 12.570 1.00 0.00 O ATOM 393 CB THR A 26 -7.129 -8.959 12.797 1.00 0.00 C ATOM 394 OG1 THR A 26 -7.223 -9.985 11.803 1.00 0.00 O ATOM 395 CG2 THR A 26 -8.525 -8.500 13.192 1.00 0.00 C ATOM 0 H THR A 26 -7.234 -7.664 10.390 1.00 0.00 H new ATOM 0 HA THR A 26 -6.142 -7.059 13.064 1.00 0.00 H new ATOM 0 HB THR A 26 -6.630 -9.355 13.681 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.753 -10.732 12.153 1.00 0.00 H new ATOM 0 HG21 THR A 26 -9.095 -9.350 13.568 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.452 -7.740 13.970 1.00 0.00 H new ATOM 0 HG23 THR A 26 -9.030 -8.081 12.322 1.00 0.00 H new ATOM 403 N SER A 27 -4.669 -8.131 10.496 1.00 0.00 N ATOM 404 CA SER A 27 -3.412 -8.589 9.916 1.00 0.00 C ATOM 405 C SER A 27 -2.773 -7.491 9.070 1.00 0.00 C ATOM 406 O SER A 27 -2.428 -7.692 7.906 1.00 0.00 O ATOM 407 CB SER A 27 -3.645 -9.836 9.062 1.00 0.00 C ATOM 408 OG SER A 27 -2.464 -10.614 8.963 1.00 0.00 O ATOM 0 H SER A 27 -5.299 -7.678 9.834 1.00 0.00 H new ATOM 0 HA SER A 27 -2.733 -8.838 10.731 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.444 -10.436 9.499 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.975 -9.542 8.066 1.00 0.00 H new ATOM 0 HG SER A 27 -2.639 -11.406 8.413 1.00 0.00 H new ATOM 414 N PRO A 28 -2.613 -6.302 9.669 1.00 0.00 N ATOM 415 CA PRO A 28 -2.014 -5.148 8.991 1.00 0.00 C ATOM 416 C PRO A 28 -0.522 -5.334 8.739 1.00 0.00 C ATOM 417 O PRO A 28 0.141 -6.114 9.423 1.00 0.00 O ATOM 418 CB PRO A 28 -2.252 -3.997 9.971 1.00 0.00 C ATOM 419 CG PRO A 28 -2.365 -4.653 11.304 1.00 0.00 C ATOM 420 CD PRO A 28 -3.002 -5.992 11.055 1.00 0.00 C ATOM 0 HA PRO A 28 -2.450 -4.983 8.006 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.429 -3.282 9.950 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.159 -3.446 9.722 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.385 -4.767 11.767 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.970 -4.053 11.984 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.638 -6.746 11.753 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -4.085 -5.949 11.168 1.00 0.00 H new ATOM 428 N VAL A 29 0.002 -4.611 7.754 1.00 0.00 N ATOM 429 CA VAL A 29 1.417 -4.695 7.413 1.00 0.00 C ATOM 430 C VAL A 29 2.191 -3.513 7.985 1.00 0.00 C ATOM 431 O VAL A 29 2.025 -2.376 7.543 1.00 0.00 O ATOM 432 CB VAL A 29 1.625 -4.742 5.888 1.00 0.00 C ATOM 433 CG1 VAL A 29 0.807 -3.658 5.204 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.101 -4.602 5.548 1.00 0.00 C ATOM 0 H VAL A 29 -0.533 -3.961 7.178 1.00 0.00 H new ATOM 0 HA VAL A 29 1.794 -5.619 7.852 1.00 0.00 H new ATOM 0 HB VAL A 29 1.281 -5.709 5.521 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.967 -3.707 4.127 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.250 -3.809 5.421 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.118 -2.680 5.573 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.230 -4.637 4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.473 -3.650 5.927 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.659 -5.418 6.007 1.00 0.00 H new ATOM 444 N VAL A 30 3.039 -3.788 8.971 1.00 0.00 N ATOM 445 CA VAL A 30 3.840 -2.747 9.603 1.00 0.00 C ATOM 446 C VAL A 30 5.051 -2.390 8.748 1.00 0.00 C ATOM 447 O VAL A 30 6.026 -3.141 8.688 1.00 0.00 O ATOM 448 CB VAL A 30 4.322 -3.180 11.000 1.00 0.00 C ATOM 449 CG1 VAL A 30 4.947 -2.006 11.738 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.172 -3.772 11.800 1.00 0.00 C ATOM 0 H VAL A 30 3.189 -4.723 9.349 1.00 0.00 H new ATOM 0 HA VAL A 30 3.199 -1.871 9.703 1.00 0.00 H new ATOM 0 HB VAL A 30 5.085 -3.949 10.879 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.281 -2.332 12.723 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.799 -1.632 11.171 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.209 -1.212 11.850 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.530 -4.073 12.784 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.385 -3.026 11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.775 -4.642 11.277 1.00 0.00 H new ATOM 460 N LEU A 31 4.983 -1.240 8.087 1.00 0.00 N ATOM 461 CA LEU A 31 6.075 -0.782 7.234 1.00 0.00 C ATOM 462 C LEU A 31 6.858 0.340 7.907 1.00 0.00 C ATOM 463 O LEU A 31 6.328 1.100 8.718 1.00 0.00 O ATOM 464 CB LEU A 31 5.530 -0.303 5.887 1.00 0.00 C ATOM 465 CG LEU A 31 5.089 -1.397 4.914 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.189 -0.820 3.833 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.301 -2.078 4.294 1.00 0.00 C ATOM 0 H LEU A 31 4.184 -0.607 8.125 1.00 0.00 H new ATOM 0 HA LEU A 31 6.750 -1.622 7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.680 0.353 6.074 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.297 0.300 5.401 1.00 0.00 H new ATOM 0 HG LEU A 31 4.521 -2.143 5.470 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.886 -1.614 3.150 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.305 -0.379 4.293 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.731 -0.053 3.280 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.969 -2.854 3.604 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.895 -1.341 3.753 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.908 -2.527 5.080 1.00 0.00 H new ATOM 479 N PRO A 32 8.149 0.451 7.563 1.00 0.00 N ATOM 480 CA PRO A 32 9.032 1.480 8.120 1.00 0.00 C ATOM 481 C PRO A 32 8.679 2.877 7.623 1.00 0.00 C ATOM 482 O PRO A 32 8.577 3.111 6.418 1.00 0.00 O ATOM 483 CB PRO A 32 10.418 1.068 7.617 1.00 0.00 C ATOM 484 CG PRO A 32 10.155 0.287 6.377 1.00 0.00 C ATOM 485 CD PRO A 32 8.847 -0.421 6.602 1.00 0.00 C ATOM 0 HA PRO A 32 8.957 1.537 9.206 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.040 1.940 7.411 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.946 0.468 8.358 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.099 0.942 5.508 1.00 0.00 H new ATOM 0 HG3 PRO A 32 10.957 -0.426 6.188 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.284 -0.529 5.675 1.00 0.00 H new ATOM 0 HD3 PRO A 32 8.996 -1.423 7.003 1.00 0.00 H new ATOM 493 N TYR A 33 8.494 3.803 8.557 1.00 0.00 N ATOM 494 CA TYR A 33 8.150 5.178 8.214 1.00 0.00 C ATOM 495 C TYR A 33 9.114 5.736 7.172 1.00 0.00 C ATOM 496 O TYR A 33 8.703 6.150 6.088 1.00 0.00 O ATOM 497 CB TYR A 33 8.167 6.058 9.465 1.00 0.00 C ATOM 498 CG TYR A 33 7.315 7.301 9.343 1.00 0.00 C ATOM 499 CD1 TYR A 33 7.808 8.448 8.733 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.016 7.328 9.836 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.033 9.586 8.620 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.234 8.461 9.726 1.00 0.00 C ATOM 503 CZ TYR A 33 5.747 9.587 9.118 1.00 0.00 C ATOM 504 OH TYR A 33 4.971 10.719 9.006 1.00 0.00 O ATOM 0 H TYR A 33 8.577 3.626 9.558 1.00 0.00 H new ATOM 0 HA TYR A 33 7.145 5.180 7.791 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.820 5.472 10.316 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.195 6.352 9.678 1.00 0.00 H new ATOM 0 HD1 TYR A 33 8.814 8.450 8.341 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.611 6.448 10.313 1.00 0.00 H new ATOM 0 HE1 TYR A 33 7.432 10.470 8.144 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.226 8.465 10.114 1.00 0.00 H new ATOM 0 HH TYR A 33 4.092 10.554 9.406 1.00 0.00 H new ATOM 514 N SER A 34 10.400 5.744 7.509 1.00 0.00 N ATOM 515 CA SER A 34 11.424 6.255 6.606 1.00 0.00 C ATOM 516 C SER A 34 11.167 5.791 5.175 1.00 0.00 C ATOM 517 O SER A 34 11.368 6.542 4.221 1.00 0.00 O ATOM 518 CB SER A 34 12.811 5.796 7.061 1.00 0.00 C ATOM 519 OG SER A 34 13.785 6.051 6.064 1.00 0.00 O ATOM 0 H SER A 34 10.757 5.402 8.401 1.00 0.00 H new ATOM 0 HA SER A 34 11.383 7.344 6.630 1.00 0.00 H new ATOM 0 HB2 SER A 34 13.084 6.312 7.981 1.00 0.00 H new ATOM 0 HB3 SER A 34 12.789 4.730 7.288 1.00 0.00 H new ATOM 0 HG SER A 34 14.663 5.750 6.380 1.00 0.00 H new ATOM 525 N ARG A 35 10.720 4.547 5.035 1.00 0.00 N ATOM 526 CA ARG A 35 10.435 3.981 3.722 1.00 0.00 C ATOM 527 C ARG A 35 8.976 3.548 3.621 1.00 0.00 C ATOM 528 O ARG A 35 8.618 2.436 4.012 1.00 0.00 O ATOM 529 CB ARG A 35 11.353 2.788 3.448 1.00 0.00 C ATOM 530 CG ARG A 35 12.788 3.181 3.140 1.00 0.00 C ATOM 531 CD ARG A 35 12.920 3.759 1.740 1.00 0.00 C ATOM 532 NE ARG A 35 14.023 4.712 1.642 1.00 0.00 N ATOM 533 CZ ARG A 35 14.352 5.343 0.521 1.00 0.00 C ATOM 534 NH1 ARG A 35 13.666 5.124 -0.592 1.00 0.00 N ATOM 535 NH2 ARG A 35 15.369 6.195 0.512 1.00 0.00 N ATOM 0 H ARG A 35 10.548 3.912 5.815 1.00 0.00 H new ATOM 0 HA ARG A 35 10.619 4.752 2.974 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.344 2.127 4.315 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.953 2.218 2.609 1.00 0.00 H new ATOM 0 HG2 ARG A 35 13.130 3.914 3.871 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.434 2.308 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 35 13.076 2.949 1.027 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.989 4.253 1.463 1.00 0.00 H new ATOM 0 HE ARG A 35 14.571 4.903 2.481 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.884 4.470 -0.588 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.921 5.610 -1.452 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.899 6.366 1.367 1.00 0.00 H new ATOM 0 HH22 ARG A 35 15.621 6.679 -0.350 1.00 0.00 H new ATOM 549 N THR A 36 8.136 4.433 3.093 1.00 0.00 N ATOM 550 CA THR A 36 6.716 4.144 2.942 1.00 0.00 C ATOM 551 C THR A 36 6.194 4.635 1.597 1.00 0.00 C ATOM 552 O THR A 36 6.184 5.836 1.323 1.00 0.00 O ATOM 553 CB THR A 36 5.888 4.791 4.068 1.00 0.00 C ATOM 554 OG1 THR A 36 6.425 6.078 4.393 1.00 0.00 O ATOM 555 CG2 THR A 36 5.880 3.911 5.309 1.00 0.00 C ATOM 0 H THR A 36 8.415 5.357 2.763 1.00 0.00 H new ATOM 0 HA THR A 36 6.607 3.061 2.997 1.00 0.00 H new ATOM 0 HB THR A 36 4.863 4.904 3.716 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.202 5.969 4.981 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.289 4.389 6.090 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.444 2.942 5.065 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.902 3.770 5.662 1.00 0.00 H new ATOM 563 N THR A 37 5.760 3.700 0.757 1.00 0.00 N ATOM 564 CA THR A 37 5.238 4.038 -0.560 1.00 0.00 C ATOM 565 C THR A 37 4.479 2.864 -1.169 1.00 0.00 C ATOM 566 O THR A 37 4.789 1.704 -0.897 1.00 0.00 O ATOM 567 CB THR A 37 6.366 4.459 -1.521 1.00 0.00 C ATOM 568 OG1 THR A 37 7.559 3.724 -1.228 1.00 0.00 O ATOM 569 CG2 THR A 37 6.643 5.951 -1.410 1.00 0.00 C ATOM 0 H THR A 37 5.760 2.702 0.967 1.00 0.00 H new ATOM 0 HA THR A 37 4.556 4.877 -0.423 1.00 0.00 H new ATOM 0 HB THR A 37 6.046 4.240 -2.540 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.271 3.996 -1.844 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.443 6.225 -2.098 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.741 6.508 -1.662 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.944 6.190 -0.390 1.00 0.00 H new ATOM 577 N VAL A 38 3.484 3.173 -1.995 1.00 0.00 N ATOM 578 CA VAL A 38 2.682 2.143 -2.644 1.00 0.00 C ATOM 579 C VAL A 38 3.558 1.005 -3.155 1.00 0.00 C ATOM 580 O VAL A 38 3.188 -0.165 -3.064 1.00 0.00 O ATOM 581 CB VAL A 38 1.872 2.720 -3.819 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.337 1.601 -4.700 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.737 3.594 -3.306 1.00 0.00 C ATOM 0 H VAL A 38 3.214 4.128 -2.230 1.00 0.00 H new ATOM 0 HA VAL A 38 1.993 1.758 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 38 2.534 3.341 -4.423 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.767 2.028 -5.525 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.170 1.020 -5.097 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.690 0.951 -4.110 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.175 3.993 -4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.074 2.998 -2.678 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.147 4.417 -2.721 1.00 0.00 H new ATOM 593 N GLU A 39 4.722 1.357 -3.693 1.00 0.00 N ATOM 594 CA GLU A 39 5.651 0.364 -4.219 1.00 0.00 C ATOM 595 C GLU A 39 6.290 -0.437 -3.088 1.00 0.00 C ATOM 596 O GLU A 39 6.387 -1.662 -3.158 1.00 0.00 O ATOM 597 CB GLU A 39 6.738 1.043 -5.056 1.00 0.00 C ATOM 598 CG GLU A 39 7.658 1.940 -4.245 1.00 0.00 C ATOM 599 CD GLU A 39 8.327 3.006 -5.091 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.643 2.719 -6.265 1.00 0.00 O ATOM 601 OE2 GLU A 39 8.535 4.126 -4.580 1.00 0.00 O ATOM 0 H GLU A 39 5.043 2.321 -3.776 1.00 0.00 H new ATOM 0 HA GLU A 39 5.089 -0.322 -4.853 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.335 0.277 -5.551 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.265 1.635 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.085 2.418 -3.450 1.00 0.00 H new ATOM 0 HG3 GLU A 39 8.423 1.330 -3.764 1.00 0.00 H new ATOM 608 N ASP A 40 6.725 0.265 -2.047 1.00 0.00 N ATOM 609 CA ASP A 40 7.355 -0.379 -0.901 1.00 0.00 C ATOM 610 C ASP A 40 6.465 -1.486 -0.343 1.00 0.00 C ATOM 611 O ASP A 40 6.956 -2.498 0.159 1.00 0.00 O ATOM 612 CB ASP A 40 7.653 0.651 0.190 1.00 0.00 C ATOM 613 CG ASP A 40 8.906 1.453 -0.099 1.00 0.00 C ATOM 614 OD1 ASP A 40 9.237 1.628 -1.290 1.00 0.00 O ATOM 615 OD2 ASP A 40 9.556 1.907 0.867 1.00 0.00 O ATOM 0 H ASP A 40 6.653 1.280 -1.974 1.00 0.00 H new ATOM 0 HA ASP A 40 8.292 -0.824 -1.235 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.805 1.329 0.287 1.00 0.00 H new ATOM 0 HB3 ASP A 40 7.764 0.141 1.147 1.00 0.00 H new ATOM 620 N PHE A 41 5.155 -1.287 -0.433 1.00 0.00 N ATOM 621 CA PHE A 41 4.196 -2.267 0.064 1.00 0.00 C ATOM 622 C PHE A 41 4.067 -3.440 -0.903 1.00 0.00 C ATOM 623 O PHE A 41 4.043 -4.600 -0.489 1.00 0.00 O ATOM 624 CB PHE A 41 2.829 -1.613 0.276 1.00 0.00 C ATOM 625 CG PHE A 41 1.717 -2.601 0.479 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.265 -3.381 -0.573 1.00 0.00 C ATOM 627 CD2 PHE A 41 1.123 -2.750 1.722 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.241 -4.292 -0.390 1.00 0.00 C ATOM 629 CE2 PHE A 41 0.099 -3.659 1.911 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.343 -4.430 0.854 1.00 0.00 C ATOM 0 H PHE A 41 4.732 -0.456 -0.846 1.00 0.00 H new ATOM 0 HA PHE A 41 4.562 -2.644 1.019 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.881 -0.954 1.142 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.596 -0.988 -0.586 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.718 -3.276 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.464 -2.149 2.552 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.102 -4.895 -1.218 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.355 -3.766 2.885 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.144 -5.140 1.000 1.00 0.00 H new ATOM 640 N CYS A 42 3.983 -3.130 -2.192 1.00 0.00 N ATOM 641 CA CYS A 42 3.854 -4.158 -3.219 1.00 0.00 C ATOM 642 C CYS A 42 4.953 -5.206 -3.079 1.00 0.00 C ATOM 643 O CYS A 42 4.816 -6.331 -3.560 1.00 0.00 O ATOM 644 CB CYS A 42 3.909 -3.527 -4.611 1.00 0.00 C ATOM 645 SG CYS A 42 2.552 -2.382 -4.956 1.00 0.00 S ATOM 0 H CYS A 42 4.002 -2.175 -2.551 1.00 0.00 H new ATOM 0 HA CYS A 42 2.890 -4.649 -3.088 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.855 -2.996 -4.721 1.00 0.00 H new ATOM 0 HB3 CYS A 42 3.900 -4.320 -5.359 1.00 0.00 H new ATOM 0 HG CYS A 42 2.759 -1.262 -4.329 1.00 0.00 H new ATOM 651 N MET A 43 6.043 -4.829 -2.419 1.00 0.00 N ATOM 652 CA MET A 43 7.166 -5.738 -2.217 1.00 0.00 C ATOM 653 C MET A 43 6.873 -6.721 -1.087 1.00 0.00 C ATOM 654 O MET A 43 7.207 -7.902 -1.177 1.00 0.00 O ATOM 655 CB MET A 43 8.438 -4.948 -1.904 1.00 0.00 C ATOM 656 CG MET A 43 8.888 -4.045 -3.042 1.00 0.00 C ATOM 657 SD MET A 43 9.512 -4.971 -4.458 1.00 0.00 S ATOM 658 CE MET A 43 8.554 -4.244 -5.786 1.00 0.00 C ATOM 0 H MET A 43 6.173 -3.901 -2.015 1.00 0.00 H new ATOM 0 HA MET A 43 7.315 -6.303 -3.137 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.269 -4.341 -1.014 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.240 -5.646 -1.666 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.051 -3.423 -3.360 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.666 -3.372 -2.681 1.00 0.00 H new ATOM 0 HE1 MET A 43 8.924 -4.609 -6.744 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.506 -4.521 -5.673 1.00 0.00 H new ATOM 0 HE3 MET A 43 8.648 -3.159 -5.751 1.00 0.00 H new ATOM 668 N LYS A 44 6.248 -6.225 -0.025 1.00 0.00 N ATOM 669 CA LYS A 44 5.909 -7.059 1.122 1.00 0.00 C ATOM 670 C LYS A 44 5.041 -8.240 0.699 1.00 0.00 C ATOM 671 O LYS A 44 5.153 -9.334 1.253 1.00 0.00 O ATOM 672 CB LYS A 44 5.180 -6.232 2.183 1.00 0.00 C ATOM 673 CG LYS A 44 6.113 -5.544 3.164 1.00 0.00 C ATOM 674 CD LYS A 44 6.562 -6.491 4.264 1.00 0.00 C ATOM 675 CE LYS A 44 6.945 -5.736 5.528 1.00 0.00 C ATOM 676 NZ LYS A 44 7.927 -6.495 6.351 1.00 0.00 N ATOM 0 H LYS A 44 5.966 -5.249 0.065 1.00 0.00 H new ATOM 0 HA LYS A 44 6.837 -7.445 1.545 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.568 -5.479 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.501 -6.882 2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.985 -5.163 2.632 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.609 -4.685 3.606 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.761 -7.195 4.488 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.413 -7.076 3.917 1.00 0.00 H new ATOM 0 HE2 LYS A 44 7.368 -4.768 5.259 1.00 0.00 H new ATOM 0 HE3 LYS A 44 6.050 -5.540 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 8.163 -5.947 7.203 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 7.514 -7.408 6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 8.791 -6.660 5.796 1.00 0.00 H new ATOM 690 N ILE A 45 4.179 -8.012 -0.287 1.00 0.00 N ATOM 691 CA ILE A 45 3.295 -9.058 -0.785 1.00 0.00 C ATOM 692 C ILE A 45 4.018 -9.961 -1.779 1.00 0.00 C ATOM 693 O ILE A 45 4.187 -11.157 -1.538 1.00 0.00 O ATOM 694 CB ILE A 45 2.046 -8.465 -1.463 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.288 -7.565 -0.485 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.144 -9.576 -1.977 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.067 -8.198 0.872 1.00 0.00 C ATOM 0 H ILE A 45 4.074 -7.112 -0.756 1.00 0.00 H new ATOM 0 HA ILE A 45 2.985 -9.646 0.079 1.00 0.00 H new ATOM 0 HB ILE A 45 2.364 -7.861 -2.313 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.841 -6.634 -0.357 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.322 -7.305 -0.917 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.266 -9.140 -2.453 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.688 -10.180 -2.703 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.830 -10.205 -1.144 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.524 -7.504 1.513 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.488 -9.114 0.756 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.030 -8.433 1.325 1.00 0.00 H new ATOM 709 N HIS A 46 4.445 -9.381 -2.896 1.00 0.00 N ATOM 710 CA HIS A 46 5.152 -10.133 -3.926 1.00 0.00 C ATOM 711 C HIS A 46 6.105 -9.228 -4.701 1.00 0.00 C ATOM 712 O HIS A 46 5.676 -8.320 -5.414 1.00 0.00 O ATOM 713 CB HIS A 46 4.156 -10.785 -4.886 1.00 0.00 C ATOM 714 CG HIS A 46 4.653 -12.064 -5.486 1.00 0.00 C ATOM 715 ND1 HIS A 46 5.132 -12.155 -6.776 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.744 -13.310 -4.964 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.495 -13.401 -7.022 1.00 0.00 C ATOM 718 NE2 HIS A 46 5.270 -14.122 -5.938 1.00 0.00 N ATOM 0 H HIS A 46 4.314 -8.393 -3.111 1.00 0.00 H new ATOM 0 HA HIS A 46 5.736 -10.912 -3.436 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.225 -10.981 -4.353 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.924 -10.083 -5.687 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.456 -13.609 -3.967 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.906 -13.768 -7.951 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.457 -15.120 -5.841 1.00 0.00 H new ATOM 727 N LYS A 47 7.402 -9.480 -4.556 1.00 0.00 N ATOM 728 CA LYS A 47 8.417 -8.690 -5.242 1.00 0.00 C ATOM 729 C LYS A 47 8.069 -8.519 -6.717 1.00 0.00 C ATOM 730 O LYS A 47 8.530 -7.583 -7.369 1.00 0.00 O ATOM 731 CB LYS A 47 9.789 -9.354 -5.104 1.00 0.00 C ATOM 732 CG LYS A 47 10.912 -8.572 -5.764 1.00 0.00 C ATOM 733 CD LYS A 47 12.149 -9.432 -5.961 1.00 0.00 C ATOM 734 CE LYS A 47 13.149 -8.766 -6.894 1.00 0.00 C ATOM 735 NZ LYS A 47 14.042 -9.760 -7.551 1.00 0.00 N ATOM 0 H LYS A 47 7.775 -10.226 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 47 8.449 -7.704 -4.778 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.018 -9.479 -4.046 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.746 -10.352 -5.541 1.00 0.00 H new ATOM 0 HG2 LYS A 47 10.574 -8.192 -6.728 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.163 -7.707 -5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.620 -9.620 -4.996 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.859 -10.400 -6.369 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.613 -8.200 -7.656 1.00 0.00 H new ATOM 0 HE3 LYS A 47 13.751 -8.053 -6.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.709 -9.266 -8.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 14.572 -10.283 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.470 -10.426 -8.109 1.00 0.00 H new ATOM 749 N ASN A 48 7.252 -9.430 -7.237 1.00 0.00 N ATOM 750 CA ASN A 48 6.842 -9.379 -8.636 1.00 0.00 C ATOM 751 C ASN A 48 5.401 -8.893 -8.762 1.00 0.00 C ATOM 752 O ASN A 48 4.681 -9.284 -9.683 1.00 0.00 O ATOM 753 CB ASN A 48 6.986 -10.758 -9.282 1.00 0.00 C ATOM 754 CG ASN A 48 8.385 -11.004 -9.815 1.00 0.00 C ATOM 755 OD1 ASN A 48 9.041 -11.976 -9.442 1.00 0.00 O ATOM 756 ND2 ASN A 48 8.847 -10.120 -10.691 1.00 0.00 N ATOM 0 H ASN A 48 6.861 -10.212 -6.711 1.00 0.00 H new ATOM 0 HA ASN A 48 7.492 -8.674 -9.154 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.739 -11.527 -8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.268 -10.851 -10.097 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.782 -10.232 -11.084 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.267 -9.329 -10.971 1.00 0.00 H new ATOM 763 N LEU A 49 4.986 -8.040 -7.833 1.00 0.00 N ATOM 764 CA LEU A 49 3.631 -7.500 -7.841 1.00 0.00 C ATOM 765 C LEU A 49 3.604 -6.106 -8.459 1.00 0.00 C ATOM 766 O LEU A 49 2.673 -5.756 -9.185 1.00 0.00 O ATOM 767 CB LEU A 49 3.073 -7.449 -6.417 1.00 0.00 C ATOM 768 CG LEU A 49 1.794 -6.633 -6.226 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.712 -7.105 -7.184 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.312 -6.727 -4.786 1.00 0.00 C ATOM 0 H LEU A 49 5.568 -7.707 -7.064 1.00 0.00 H new ATOM 0 HA LEU A 49 3.008 -8.158 -8.446 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.882 -8.470 -6.086 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.842 -7.041 -5.761 1.00 0.00 H new ATOM 0 HG LEU A 49 2.015 -5.589 -6.447 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.191 -6.513 -7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.058 -6.985 -8.211 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.492 -8.156 -6.995 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.401 -6.140 -4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 49 1.108 -7.769 -4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.082 -6.340 -4.119 1.00 0.00 H new ATOM 782 N ILE A 50 4.631 -5.315 -8.168 1.00 0.00 N ATOM 783 CA ILE A 50 4.726 -3.960 -8.698 1.00 0.00 C ATOM 784 C ILE A 50 4.647 -3.960 -10.221 1.00 0.00 C ATOM 785 O ILE A 50 4.257 -2.965 -10.833 1.00 0.00 O ATOM 786 CB ILE A 50 6.035 -3.276 -8.263 1.00 0.00 C ATOM 787 CG1 ILE A 50 6.004 -1.790 -8.626 1.00 0.00 C ATOM 788 CG2 ILE A 50 7.231 -3.960 -8.910 1.00 0.00 C ATOM 789 CD1 ILE A 50 5.173 -0.954 -7.678 1.00 0.00 C ATOM 0 H ILE A 50 5.409 -5.589 -7.568 1.00 0.00 H new ATOM 0 HA ILE A 50 3.882 -3.402 -8.292 1.00 0.00 H new ATOM 0 HB ILE A 50 6.132 -3.365 -7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 50 7.024 -1.406 -8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.610 -1.679 -9.636 1.00 0.00 H new ATOM 0 HG21 ILE A 50 8.149 -3.465 -8.593 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.260 -5.007 -8.607 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.142 -3.899 -9.995 1.00 0.00 H new ATOM 0 HD11 ILE A 50 5.196 0.088 -7.996 1.00 0.00 H new ATOM 0 HD12 ILE A 50 4.144 -1.312 -7.684 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.580 -1.035 -6.670 1.00 0.00 H new ATOM 801 N LYS A 51 5.017 -5.082 -10.828 1.00 0.00 N ATOM 802 CA LYS A 51 4.986 -5.214 -12.280 1.00 0.00 C ATOM 803 C LYS A 51 3.552 -5.347 -12.783 1.00 0.00 C ATOM 804 O LYS A 51 3.236 -4.932 -13.897 1.00 0.00 O ATOM 805 CB LYS A 51 5.807 -6.428 -12.720 1.00 0.00 C ATOM 806 CG LYS A 51 7.307 -6.222 -12.605 1.00 0.00 C ATOM 807 CD LYS A 51 8.075 -7.258 -13.409 1.00 0.00 C ATOM 808 CE LYS A 51 9.523 -6.840 -13.618 1.00 0.00 C ATOM 809 NZ LYS A 51 10.353 -7.959 -14.142 1.00 0.00 N ATOM 0 H LYS A 51 5.342 -5.914 -10.336 1.00 0.00 H new ATOM 0 HA LYS A 51 5.422 -4.313 -12.712 1.00 0.00 H new ATOM 0 HB2 LYS A 51 5.520 -7.289 -12.116 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.560 -6.668 -13.754 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.566 -5.223 -12.955 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.604 -6.279 -11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 51 8.043 -8.218 -12.893 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.593 -7.400 -14.376 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.562 -6.002 -14.314 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.940 -6.490 -12.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 11.332 -7.634 -14.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.337 -8.749 -13.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.971 -8.277 -15.056 1.00 0.00 H new ATOM 823 N GLU A 52 2.690 -5.926 -11.954 1.00 0.00 N ATOM 824 CA GLU A 52 1.289 -6.111 -12.316 1.00 0.00 C ATOM 825 C GLU A 52 0.413 -5.046 -11.664 1.00 0.00 C ATOM 826 O GLU A 52 -0.780 -4.946 -11.952 1.00 0.00 O ATOM 827 CB GLU A 52 0.812 -7.504 -11.900 1.00 0.00 C ATOM 828 CG GLU A 52 1.808 -8.608 -12.214 1.00 0.00 C ATOM 829 CD GLU A 52 1.815 -8.988 -13.682 1.00 0.00 C ATOM 830 OE1 GLU A 52 0.772 -8.807 -14.345 1.00 0.00 O ATOM 831 OE2 GLU A 52 2.861 -9.466 -14.167 1.00 0.00 O ATOM 0 H GLU A 52 2.936 -6.275 -11.028 1.00 0.00 H new ATOM 0 HA GLU A 52 1.204 -6.013 -13.398 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.608 -7.504 -10.829 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.130 -7.722 -12.404 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.807 -8.285 -11.922 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.570 -9.488 -11.616 1.00 0.00 H new ATOM 838 N PHE A 53 1.013 -4.251 -10.784 1.00 0.00 N ATOM 839 CA PHE A 53 0.288 -3.194 -10.090 1.00 0.00 C ATOM 840 C PHE A 53 -0.174 -2.118 -11.069 1.00 0.00 C ATOM 841 O PHE A 53 0.614 -1.603 -11.861 1.00 0.00 O ATOM 842 CB PHE A 53 1.169 -2.569 -9.007 1.00 0.00 C ATOM 843 CG PHE A 53 0.698 -1.215 -8.558 1.00 0.00 C ATOM 844 CD1 PHE A 53 1.064 -0.074 -9.254 1.00 0.00 C ATOM 845 CD2 PHE A 53 -0.112 -1.083 -7.441 1.00 0.00 C ATOM 846 CE1 PHE A 53 0.633 1.173 -8.842 1.00 0.00 C ATOM 847 CE2 PHE A 53 -0.547 0.161 -7.026 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.175 1.291 -7.728 1.00 0.00 C ATOM 0 H PHE A 53 2.000 -4.319 -10.535 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.591 -3.637 -9.623 1.00 0.00 H new ATOM 0 HB2 PHE A 53 1.202 -3.237 -8.146 1.00 0.00 H new ATOM 0 HB3 PHE A 53 2.188 -2.484 -9.384 1.00 0.00 H new ATOM 0 HD1 PHE A 53 1.693 -0.160 -10.128 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -0.407 -1.963 -6.889 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.928 2.055 -9.391 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.177 0.250 -6.154 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.515 2.264 -7.407 1.00 0.00 H new ATOM 858 N LYS A 54 -1.459 -1.784 -11.008 1.00 0.00 N ATOM 859 CA LYS A 54 -2.029 -0.770 -11.887 1.00 0.00 C ATOM 860 C LYS A 54 -2.318 0.516 -11.119 1.00 0.00 C ATOM 861 O LYS A 54 -1.865 1.594 -11.502 1.00 0.00 O ATOM 862 CB LYS A 54 -3.314 -1.290 -12.534 1.00 0.00 C ATOM 863 CG LYS A 54 -3.824 -0.413 -13.665 1.00 0.00 C ATOM 864 CD LYS A 54 -5.202 -0.851 -14.132 1.00 0.00 C ATOM 865 CE LYS A 54 -5.988 0.312 -14.717 1.00 0.00 C ATOM 866 NZ LYS A 54 -7.223 -0.146 -15.412 1.00 0.00 N ATOM 0 H LYS A 54 -2.126 -2.201 -10.358 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.300 -0.550 -12.667 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.137 -2.295 -12.916 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.088 -1.371 -11.771 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.864 0.624 -13.333 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.126 -0.453 -14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.101 -1.636 -14.881 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.752 -1.279 -13.294 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.256 1.006 -13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.358 0.859 -15.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.730 0.676 -15.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -6.966 -0.789 -16.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.836 -0.646 -14.737 1.00 0.00 H new ATOM 880 N TYR A 55 -3.073 0.393 -10.033 1.00 0.00 N ATOM 881 CA TYR A 55 -3.423 1.546 -9.212 1.00 0.00 C ATOM 882 C TYR A 55 -3.824 1.111 -7.805 1.00 0.00 C ATOM 883 O TYR A 55 -4.030 -0.074 -7.545 1.00 0.00 O ATOM 884 CB TYR A 55 -4.564 2.333 -9.859 1.00 0.00 C ATOM 885 CG TYR A 55 -5.842 1.538 -10.004 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.757 1.461 -8.961 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.134 0.863 -11.182 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.926 0.735 -9.088 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.301 0.136 -11.319 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.193 0.075 -10.269 1.00 0.00 C ATOM 891 OH TYR A 55 -9.356 -0.649 -10.400 1.00 0.00 O ATOM 0 H TYR A 55 -3.454 -0.493 -9.701 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.545 2.187 -9.139 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.765 3.222 -9.262 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.245 2.675 -10.844 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.551 1.977 -8.035 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.437 0.907 -12.006 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.626 0.685 -8.267 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.513 -0.381 -12.243 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.392 -1.051 -11.293 1.00 0.00 H new ATOM 901 N ALA A 56 -3.934 2.080 -6.902 1.00 0.00 N ATOM 902 CA ALA A 56 -4.313 1.800 -5.523 1.00 0.00 C ATOM 903 C ALA A 56 -5.409 2.748 -5.051 1.00 0.00 C ATOM 904 O ALA A 56 -5.384 3.942 -5.354 1.00 0.00 O ATOM 905 CB ALA A 56 -3.099 1.898 -4.612 1.00 0.00 C ATOM 0 H ALA A 56 -3.766 3.066 -7.101 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.705 0.784 -5.480 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.397 1.687 -3.585 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.347 1.175 -4.928 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.682 2.903 -4.669 1.00 0.00 H new ATOM 911 N LEU A 57 -6.371 2.211 -4.309 1.00 0.00 N ATOM 912 CA LEU A 57 -7.478 3.010 -3.795 1.00 0.00 C ATOM 913 C LEU A 57 -7.310 3.278 -2.303 1.00 0.00 C ATOM 914 O LEU A 57 -7.743 2.486 -1.467 1.00 0.00 O ATOM 915 CB LEU A 57 -8.808 2.299 -4.051 1.00 0.00 C ATOM 916 CG LEU A 57 -9.101 1.924 -5.504 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.084 0.766 -5.568 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.638 3.126 -6.267 1.00 0.00 C ATOM 0 H LEU A 57 -6.407 1.225 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.477 3.966 -4.319 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.832 1.390 -3.450 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.614 2.939 -3.693 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.169 1.608 -5.973 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.281 0.513 -6.610 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.661 -0.099 -5.058 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.017 1.053 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.841 2.841 -7.299 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.559 3.472 -5.798 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.899 3.927 -6.251 1.00 0.00 H new ATOM 930 N VAL A 58 -6.679 4.402 -1.976 1.00 0.00 N ATOM 931 CA VAL A 58 -6.457 4.777 -0.585 1.00 0.00 C ATOM 932 C VAL A 58 -7.756 5.218 0.080 1.00 0.00 C ATOM 933 O VAL A 58 -8.586 5.884 -0.538 1.00 0.00 O ATOM 934 CB VAL A 58 -5.422 5.912 -0.468 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.092 6.185 0.991 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.164 5.568 -1.253 1.00 0.00 C ATOM 0 H VAL A 58 -6.313 5.068 -2.656 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.074 3.892 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.852 6.819 -0.894 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.359 6.990 1.054 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -5.999 6.478 1.521 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.681 5.284 1.446 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.443 6.380 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.729 4.650 -0.859 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.418 5.427 -2.304 1.00 0.00 H new ATOM 946 N TRP A 59 -7.924 4.843 1.342 1.00 0.00 N ATOM 947 CA TRP A 59 -9.123 5.201 2.092 1.00 0.00 C ATOM 948 C TRP A 59 -8.760 5.873 3.411 1.00 0.00 C ATOM 949 O TRP A 59 -9.428 5.675 4.425 1.00 0.00 O ATOM 950 CB TRP A 59 -9.974 3.958 2.357 1.00 0.00 C ATOM 951 CG TRP A 59 -10.832 3.566 1.192 1.00 0.00 C ATOM 952 CD1 TRP A 59 -12.005 4.149 0.805 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.585 2.504 0.264 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.502 3.514 -0.307 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.649 2.501 -0.659 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.568 1.556 0.122 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.723 1.587 -1.707 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.643 0.650 -0.918 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.713 0.671 -1.822 1.00 0.00 C ATOM 0 H TRP A 59 -7.246 4.291 1.868 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.699 5.906 1.493 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.319 3.125 2.613 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.611 4.140 3.223 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.473 4.987 1.301 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.366 3.757 -0.792 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.738 1.532 0.813 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.548 1.601 -2.404 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.863 -0.088 -1.036 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.741 -0.050 -2.626 1.00 0.00 H new ATOM 970 N GLY A 60 -7.695 6.670 3.391 1.00 0.00 N ATOM 971 CA GLY A 60 -7.262 7.360 4.592 1.00 0.00 C ATOM 972 C GLY A 60 -7.291 8.867 4.438 1.00 0.00 C ATOM 973 O GLY A 60 -7.851 9.389 3.473 1.00 0.00 O ATOM 0 H GLY A 60 -7.125 6.850 2.564 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.903 7.071 5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.250 7.043 4.844 1.00 0.00 H new ATOM 977 N LEU A 61 -6.689 9.570 5.391 1.00 0.00 N ATOM 978 CA LEU A 61 -6.649 11.028 5.357 1.00 0.00 C ATOM 979 C LEU A 61 -5.671 11.522 4.296 1.00 0.00 C ATOM 980 O LEU A 61 -5.921 12.524 3.627 1.00 0.00 O ATOM 981 CB LEU A 61 -6.252 11.578 6.728 1.00 0.00 C ATOM 982 CG LEU A 61 -7.218 11.281 7.876 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.314 9.783 8.119 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.779 12.002 9.143 1.00 0.00 C ATOM 0 H LEU A 61 -6.222 9.154 6.197 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.645 11.388 5.101 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.274 11.175 6.990 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.139 12.659 6.645 1.00 0.00 H new ATOM 0 HG LEU A 61 -8.206 11.647 7.598 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -8.006 9.591 8.939 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.676 9.290 7.216 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.329 9.392 8.376 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.478 11.779 9.949 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.781 11.667 9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.763 13.077 8.963 1.00 0.00 H new ATOM 996 N SER A 62 -4.559 10.810 4.146 1.00 0.00 N ATOM 997 CA SER A 62 -3.542 11.177 3.167 1.00 0.00 C ATOM 998 C SER A 62 -4.186 11.706 1.889 1.00 0.00 C ATOM 999 O SER A 62 -3.612 12.544 1.193 1.00 0.00 O ATOM 1000 CB SER A 62 -2.656 9.972 2.845 1.00 0.00 C ATOM 1001 OG SER A 62 -3.403 8.943 2.218 1.00 0.00 O ATOM 0 H SER A 62 -4.339 9.976 4.690 1.00 0.00 H new ATOM 0 HA SER A 62 -2.926 11.967 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.839 10.281 2.193 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.206 9.592 3.762 1.00 0.00 H new ATOM 0 HG SER A 62 -3.478 8.177 2.825 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.381 11.211 1.587 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.105 11.633 0.393 1.00 0.00 C ATOM 1009 C VAL A 63 -7.355 12.424 0.760 1.00 0.00 C ATOM 1010 O VAL A 63 -8.147 12.000 1.601 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.509 10.427 -0.475 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.282 9.785 -1.103 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.287 9.413 0.352 1.00 0.00 C ATOM 0 H VAL A 63 -5.869 10.517 2.153 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.430 12.270 -0.178 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.155 10.780 -1.278 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.588 8.935 -1.713 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.770 10.515 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.607 9.444 -0.318 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.565 8.567 -0.277 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.666 9.063 1.177 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.188 9.881 0.749 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.528 13.576 0.122 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.684 14.428 0.378 1.00 0.00 C ATOM 1025 C LYS A 64 -9.983 13.676 0.111 1.00 0.00 C ATOM 1026 O LYS A 64 -10.871 13.627 0.964 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.621 15.684 -0.493 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.739 16.780 0.081 1.00 0.00 C ATOM 1029 CD LYS A 64 -8.403 17.468 1.262 1.00 0.00 C ATOM 1030 CE LYS A 64 -9.354 18.564 0.806 1.00 0.00 C ATOM 1031 NZ LYS A 64 -8.625 19.716 0.207 1.00 0.00 N ATOM 0 H LYS A 64 -6.882 13.942 -0.577 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.663 14.720 1.428 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.251 15.412 -1.482 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.630 16.074 -0.627 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -6.786 16.354 0.395 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.520 17.515 -0.693 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.950 16.733 1.852 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -7.639 17.895 1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.054 18.157 0.076 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -9.944 18.909 1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.229 20.562 0.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.754 19.894 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -8.382 19.498 -0.780 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.089 13.089 -1.077 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.281 12.337 -1.455 1.00 0.00 C ATOM 1047 C HIS A 65 -10.982 10.842 -1.517 1.00 0.00 C ATOM 1048 O HIS A 65 -9.878 10.434 -1.873 1.00 0.00 O ATOM 1049 CB HIS A 65 -11.807 12.820 -2.806 1.00 0.00 C ATOM 1050 CG HIS A 65 -11.922 14.310 -2.906 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -11.457 15.030 -3.987 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.454 15.217 -2.053 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -11.697 16.315 -3.793 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.302 16.455 -2.627 1.00 0.00 N ATOM 0 H HIS A 65 -9.364 13.119 -1.794 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.044 12.506 -0.695 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.145 12.461 -3.594 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.786 12.375 -2.986 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.913 15.006 -1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -11.442 17.115 -4.472 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.607 17.339 -2.219 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.975 10.030 -1.167 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.818 8.581 -1.182 1.00 0.00 C ATOM 1065 C ASN A 66 -13.097 7.900 -1.658 1.00 0.00 C ATOM 1066 O ASN A 66 -14.210 8.352 -1.384 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.446 8.073 0.213 1.00 0.00 C ATOM 1068 CG ASN A 66 -10.688 9.108 1.022 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -11.094 10.268 1.102 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -9.582 8.693 1.627 1.00 0.00 N ATOM 0 H ASN A 66 -12.896 10.351 -0.870 1.00 0.00 H new ATOM 0 HA ASN A 66 -11.016 8.335 -1.878 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.353 7.791 0.748 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.838 7.173 0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.031 9.345 2.186 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.283 7.722 1.533 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.939 6.786 -2.388 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.620 6.239 -2.720 1.00 0.00 C ATOM 1079 C PRO A 67 -10.862 7.115 -3.713 1.00 0.00 C ATOM 1080 O PRO A 67 -11.468 7.833 -4.507 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.947 4.881 -3.347 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.328 5.033 -3.882 1.00 0.00 C ATOM 1083 CD PRO A 67 -14.034 5.975 -2.945 1.00 0.00 C ATOM 0 HA PRO A 67 -10.973 6.176 -1.845 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.241 4.630 -4.139 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.895 4.081 -2.608 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.312 5.431 -4.897 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.838 4.071 -3.925 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.764 6.591 -3.470 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.573 5.437 -2.165 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.536 7.048 -3.661 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.697 7.836 -4.556 1.00 0.00 C ATOM 1093 C GLN A 68 -7.719 6.943 -5.312 1.00 0.00 C ATOM 1094 O GLN A 68 -7.067 6.080 -4.724 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.930 8.899 -3.767 1.00 0.00 C ATOM 1096 CG GLN A 68 -6.754 9.490 -4.527 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.307 10.825 -3.964 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.088 11.539 -3.334 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.045 11.170 -4.189 1.00 0.00 N ATOM 0 H GLN A 68 -9.020 6.457 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.345 8.329 -5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.615 9.701 -3.493 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.567 8.459 -2.838 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -5.919 8.790 -4.498 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.029 9.615 -5.574 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.432 10.548 -4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -4.688 12.057 -3.835 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.621 7.156 -6.620 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.722 6.371 -7.458 1.00 0.00 C ATOM 1110 C LYS A 69 -5.296 6.907 -7.377 1.00 0.00 C ATOM 1111 O LYS A 69 -5.017 8.027 -7.806 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.202 6.387 -8.911 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.777 5.165 -9.706 1.00 0.00 C ATOM 1114 CD LYS A 69 -6.911 5.397 -11.201 1.00 0.00 C ATOM 1115 CE LYS A 69 -6.729 4.106 -11.985 1.00 0.00 C ATOM 1116 NZ LYS A 69 -6.288 4.364 -13.383 1.00 0.00 N ATOM 0 H LYS A 69 -8.153 7.866 -7.123 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.727 5.345 -7.091 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.290 6.459 -8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.818 7.281 -9.402 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.743 4.916 -9.467 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -7.386 4.310 -9.414 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.892 5.820 -11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.170 6.128 -11.525 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -5.994 3.477 -11.483 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -7.668 3.553 -11.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -6.175 3.460 -13.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -7.001 4.943 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -5.379 4.870 -13.373 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.396 6.100 -6.824 1.00 0.00 N ATOM 1131 CA VAL A 70 -2.998 6.492 -6.689 1.00 0.00 C ATOM 1132 C VAL A 70 -2.086 5.553 -7.470 1.00 0.00 C ATOM 1133 O VAL A 70 -2.510 4.487 -7.915 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.559 6.506 -5.212 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.473 7.404 -4.392 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.541 5.093 -4.649 1.00 0.00 C ATOM 0 H VAL A 70 -4.610 5.171 -6.462 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.911 7.500 -7.096 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.548 6.908 -5.155 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.148 7.401 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.431 8.421 -4.783 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.497 7.034 -4.453 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.229 5.121 -3.605 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.540 4.661 -4.718 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.842 4.483 -5.220 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.829 5.956 -7.632 1.00 0.00 N ATOM 1147 CA GLY A 71 0.124 5.139 -8.359 1.00 0.00 C ATOM 1148 C GLY A 71 1.143 4.485 -7.447 1.00 0.00 C ATOM 1149 O GLY A 71 0.884 4.280 -6.261 1.00 0.00 O ATOM 0 H GLY A 71 -0.454 6.834 -7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.411 4.368 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.642 5.757 -9.093 1.00 0.00 H new ATOM 1153 N LYS A 72 2.305 4.156 -8.000 1.00 0.00 N ATOM 1154 CA LYS A 72 3.367 3.521 -7.229 1.00 0.00 C ATOM 1155 C LYS A 72 4.262 4.567 -6.572 1.00 0.00 C ATOM 1156 O LYS A 72 5.034 4.255 -5.665 1.00 0.00 O ATOM 1157 CB LYS A 72 4.204 2.610 -8.130 1.00 0.00 C ATOM 1158 CG LYS A 72 4.883 3.343 -9.274 1.00 0.00 C ATOM 1159 CD LYS A 72 6.224 3.918 -8.850 1.00 0.00 C ATOM 1160 CE LYS A 72 7.079 4.285 -10.053 1.00 0.00 C ATOM 1161 NZ LYS A 72 8.518 4.413 -9.693 1.00 0.00 N ATOM 0 H LYS A 72 2.536 4.319 -8.980 1.00 0.00 H new ATOM 0 HA LYS A 72 2.905 2.921 -6.445 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.964 2.114 -7.526 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.563 1.830 -8.539 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.027 2.659 -10.111 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.237 4.147 -9.627 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.063 4.802 -8.233 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.754 3.192 -8.234 1.00 0.00 H new ATOM 0 HE2 LYS A 72 6.964 3.525 -10.825 1.00 0.00 H new ATOM 0 HE3 LYS A 72 6.726 5.225 -10.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 9.067 4.664 -10.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 8.631 5.156 -8.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.863 3.508 -9.313 1.00 0.00 H new ATOM 1175 N ASP A 73 4.153 5.807 -7.035 1.00 0.00 N ATOM 1176 CA ASP A 73 4.951 6.899 -6.491 1.00 0.00 C ATOM 1177 C ASP A 73 4.228 7.574 -5.329 1.00 0.00 C ATOM 1178 O ASP A 73 4.787 8.440 -4.656 1.00 0.00 O ATOM 1179 CB ASP A 73 5.260 7.926 -7.581 1.00 0.00 C ATOM 1180 CG ASP A 73 6.434 7.516 -8.448 1.00 0.00 C ATOM 1181 OD1 ASP A 73 7.496 7.176 -7.885 1.00 0.00 O ATOM 1182 OD2 ASP A 73 6.291 7.534 -9.688 1.00 0.00 O ATOM 0 H ASP A 73 3.520 6.081 -7.786 1.00 0.00 H new ATOM 0 HA ASP A 73 5.887 6.482 -6.120 1.00 0.00 H new ATOM 0 HB2 ASP A 73 4.379 8.062 -8.208 1.00 0.00 H new ATOM 0 HB3 ASP A 73 5.473 8.890 -7.118 1.00 0.00 H new ATOM 1187 N HIS A 74 2.982 7.172 -5.101 1.00 0.00 N ATOM 1188 CA HIS A 74 2.182 7.738 -4.020 1.00 0.00 C ATOM 1189 C HIS A 74 2.717 7.300 -2.661 1.00 0.00 C ATOM 1190 O HIS A 74 3.118 6.149 -2.480 1.00 0.00 O ATOM 1191 CB HIS A 74 0.719 7.316 -4.166 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.106 7.587 -2.945 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.783 8.771 -2.742 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.363 6.817 -1.862 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.419 8.718 -1.585 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.181 7.543 -1.032 1.00 0.00 N ATOM 0 H HIS A 74 2.504 6.457 -5.650 1.00 0.00 H new ATOM 0 HA HIS A 74 2.247 8.824 -4.083 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.281 7.841 -5.015 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.677 6.251 -4.394 1.00 0.00 H new ATOM 0 HD2 HIS A 74 0.006 5.818 -1.684 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.030 9.503 -1.163 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.546 7.226 -0.134 1.00 0.00 H new ATOM 1205 N THR A 75 2.722 8.225 -1.706 1.00 0.00 N ATOM 1206 CA THR A 75 3.210 7.935 -0.363 1.00 0.00 C ATOM 1207 C THR A 75 2.101 7.363 0.513 1.00 0.00 C ATOM 1208 O THR A 75 0.958 7.820 0.463 1.00 0.00 O ATOM 1209 CB THR A 75 3.782 9.196 0.311 1.00 0.00 C ATOM 1210 OG1 THR A 75 4.788 9.783 -0.522 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.375 8.860 1.671 1.00 0.00 C ATOM 0 H THR A 75 2.393 9.182 -1.838 1.00 0.00 H new ATOM 0 HA THR A 75 4.004 7.196 -0.468 1.00 0.00 H new ATOM 0 HB THR A 75 2.968 9.907 0.453 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.146 10.585 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.773 9.766 2.128 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.600 8.440 2.312 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.178 8.133 1.548 1.00 0.00 H new ATOM 1219 N LEU A 76 2.445 6.362 1.316 1.00 0.00 N ATOM 1220 CA LEU A 76 1.478 5.728 2.206 1.00 0.00 C ATOM 1221 C LEU A 76 1.498 6.379 3.585 1.00 0.00 C ATOM 1222 O LEU A 76 2.493 6.983 3.982 1.00 0.00 O ATOM 1223 CB LEU A 76 1.775 4.233 2.331 1.00 0.00 C ATOM 1224 CG LEU A 76 1.357 3.364 1.144 1.00 0.00 C ATOM 1225 CD1 LEU A 76 1.968 1.976 1.257 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.160 3.275 1.057 1.00 0.00 C ATOM 0 H LEU A 76 3.386 5.972 1.369 1.00 0.00 H new ATOM 0 HA LEU A 76 0.485 5.861 1.777 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.846 4.108 2.488 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.276 3.857 3.224 1.00 0.00 H new ATOM 0 HG LEU A 76 1.727 3.828 0.230 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.659 1.372 0.404 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.055 2.057 1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.628 1.503 2.178 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.440 2.653 0.207 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.552 2.834 1.974 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.576 4.274 0.928 1.00 0.00 H new ATOM 1238 N GLU A 77 0.392 6.250 4.311 1.00 0.00 N ATOM 1239 CA GLU A 77 0.283 6.825 5.646 1.00 0.00 C ATOM 1240 C GLU A 77 -0.034 5.747 6.679 1.00 0.00 C ATOM 1241 O GLU A 77 -0.268 4.589 6.331 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.798 7.907 5.674 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.293 9.283 5.273 1.00 0.00 C ATOM 1244 CD GLU A 77 -1.220 10.397 5.720 1.00 0.00 C ATOM 1245 OE1 GLU A 77 -1.986 10.180 6.681 1.00 0.00 O ATOM 1246 OE2 GLU A 77 -1.178 11.485 5.108 1.00 0.00 O ATOM 0 H GLU A 77 -0.441 5.752 3.997 1.00 0.00 H new ATOM 0 HA GLU A 77 1.243 7.275 5.898 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.608 7.617 5.004 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.219 7.962 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.695 9.443 5.704 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -0.179 9.323 4.190 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.039 6.136 7.949 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.327 5.204 9.033 1.00 0.00 C ATOM 1255 C ASP A 78 -1.830 4.978 9.170 1.00 0.00 C ATOM 1256 O ASP A 78 -2.624 5.901 8.995 1.00 0.00 O ATOM 1257 CB ASP A 78 0.244 5.729 10.351 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.224 7.137 10.665 1.00 0.00 C ATOM 1259 OD1 ASP A 78 -1.438 7.401 10.537 1.00 0.00 O ATOM 1260 OD2 ASP A 78 0.624 7.974 11.039 1.00 0.00 O ATOM 0 H ASP A 78 0.153 7.090 8.253 1.00 0.00 H new ATOM 0 HA ASP A 78 0.146 4.251 8.795 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.050 5.062 11.162 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.333 5.713 10.304 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.211 3.743 9.482 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.618 3.396 9.639 1.00 0.00 C ATOM 1267 C GLU A 79 -4.413 3.762 8.389 1.00 0.00 C ATOM 1268 O GLU A 79 -5.405 4.487 8.461 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.209 4.108 10.858 1.00 0.00 C ATOM 1270 CG GLU A 79 -3.417 3.886 12.136 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.150 4.375 13.369 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -4.293 5.606 13.524 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -4.580 3.528 14.180 1.00 0.00 O ATOM 0 H GLU A 79 -1.566 2.967 9.631 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.684 2.318 9.788 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.261 5.177 10.654 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.232 3.763 11.010 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.200 2.823 12.245 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.459 4.401 12.059 1.00 0.00 H new ATOM 1280 N ASP A 80 -3.967 3.257 7.243 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.636 3.530 5.976 1.00 0.00 C ATOM 1282 C ASP A 80 -4.899 2.236 5.211 1.00 0.00 C ATOM 1283 O ASP A 80 -4.145 1.270 5.328 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.792 4.479 5.124 1.00 0.00 C ATOM 1285 CG ASP A 80 -4.628 5.266 4.134 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -5.843 4.997 4.038 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.066 6.152 3.456 1.00 0.00 O ATOM 0 H ASP A 80 -3.146 2.657 7.166 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.594 4.004 6.193 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -3.259 5.171 5.776 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -3.039 3.905 4.584 1.00 0.00 H new ATOM 1292 N VAL A 81 -5.973 2.226 4.429 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.336 1.051 3.644 1.00 0.00 C ATOM 1294 C VAL A 81 -6.039 1.266 2.164 1.00 0.00 C ATOM 1295 O VAL A 81 -6.300 2.338 1.618 1.00 0.00 O ATOM 1296 CB VAL A 81 -7.826 0.703 3.812 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.185 -0.522 2.984 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.159 0.480 5.280 1.00 0.00 C ATOM 0 H VAL A 81 -6.607 3.018 4.322 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.733 0.223 4.016 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.420 1.543 3.452 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.242 -0.753 3.115 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.986 -0.321 1.931 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.585 -1.371 3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.216 0.235 5.380 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.558 -0.342 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.942 1.387 5.844 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.493 0.240 1.521 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.162 0.316 0.104 1.00 0.00 C ATOM 1310 C ILE A 82 -5.554 -0.967 -0.622 1.00 0.00 C ATOM 1311 O ILE A 82 -5.341 -2.068 -0.114 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.659 0.575 -0.111 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.320 0.536 -1.602 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.831 -0.447 0.653 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.887 0.910 -1.906 1.00 0.00 C ATOM 0 H ILE A 82 -5.270 -0.654 1.959 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.729 1.151 -0.307 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.418 1.567 0.271 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.514 -0.466 -1.984 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.985 1.215 -2.135 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.771 -0.251 0.491 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.055 -0.374 1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.073 -1.449 0.299 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.718 0.861 -2.982 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.693 1.923 -1.555 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.215 0.216 -1.401 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.126 -0.816 -1.812 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.546 -1.964 -2.608 1.00 0.00 C ATOM 1329 C GLN A 83 -5.647 -2.139 -3.827 1.00 0.00 C ATOM 1330 O GLN A 83 -5.781 -1.419 -4.817 1.00 0.00 O ATOM 1331 CB GLN A 83 -8.000 -1.798 -3.051 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.509 -2.945 -3.909 1.00 0.00 C ATOM 1333 CD GLN A 83 -9.981 -2.812 -4.249 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.566 -1.737 -4.113 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.587 -3.906 -4.693 1.00 0.00 N ATOM 0 H GLN A 83 -6.309 0.089 -2.246 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.462 -2.856 -1.987 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.632 -1.708 -2.168 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.097 -0.867 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.930 -2.989 -4.831 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.345 -3.886 -3.385 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -10.063 -4.776 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -11.577 -3.877 -4.937 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.732 -3.099 -3.748 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.812 -3.368 -4.846 1.00 0.00 C ATOM 1346 C ILE A 84 -4.511 -4.111 -5.980 1.00 0.00 C ATOM 1347 O ILE A 84 -4.900 -5.269 -5.830 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.601 -4.195 -4.376 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.791 -3.411 -3.341 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.727 -4.577 -5.561 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -0.975 -2.287 -3.938 1.00 0.00 C ATOM 0 H ILE A 84 -4.608 -3.703 -2.936 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.463 -2.401 -5.209 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.965 -5.110 -3.908 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.471 -2.999 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -1.123 -4.096 -2.819 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.876 -5.161 -5.212 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.309 -5.170 -6.266 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.369 -3.674 -6.055 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.427 -1.775 -3.147 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.270 -2.694 -4.663 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.639 -1.580 -4.436 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.665 -3.437 -7.115 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.315 -4.034 -8.276 1.00 0.00 C ATOM 1365 C VAL A 85 -4.291 -4.439 -9.331 1.00 0.00 C ATOM 1366 O VAL A 85 -3.272 -3.772 -9.512 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.332 -3.066 -8.909 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -7.332 -2.586 -7.868 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -5.616 -1.889 -9.555 1.00 0.00 C ATOM 0 H VAL A 85 -4.349 -2.478 -7.256 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.840 -4.922 -7.923 1.00 0.00 H new ATOM 0 HB VAL A 85 -6.880 -3.599 -9.686 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.042 -1.903 -8.334 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.867 -3.441 -7.456 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.804 -2.069 -7.067 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.350 -1.215 -9.997 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.041 -1.354 -8.799 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.944 -2.254 -10.332 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.568 -5.537 -10.025 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.673 -6.033 -11.064 1.00 0.00 C ATOM 1381 C LYS A 86 -4.298 -5.866 -12.445 1.00 0.00 C ATOM 1382 O LYS A 86 -5.471 -6.180 -12.650 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.339 -7.506 -10.818 1.00 0.00 C ATOM 1384 CG LYS A 86 -2.846 -7.791 -9.410 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.607 -9.275 -9.193 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.054 -9.554 -7.803 1.00 0.00 C ATOM 1387 NZ LYS A 86 -2.027 -11.011 -7.499 1.00 0.00 N ATOM 0 H LYS A 86 -5.406 -6.101 -9.887 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.754 -5.448 -11.027 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.226 -8.108 -11.012 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.578 -7.821 -11.531 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.922 -7.242 -9.229 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -3.578 -7.430 -8.687 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.542 -9.819 -9.330 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -1.910 -9.646 -9.944 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.045 -9.148 -7.725 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.663 -9.039 -7.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.644 -11.159 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -2.993 -11.394 -7.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.425 -11.499 -8.193 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.508 -5.371 -13.392 1.00 0.00 N ATOM 1402 CA LYS A 87 -3.982 -5.165 -14.755 1.00 0.00 C ATOM 1403 C LYS A 87 -4.915 -6.293 -15.183 1.00 0.00 C ATOM 1404 O LYS A 87 -5.926 -6.058 -15.844 1.00 0.00 O ATOM 1405 CB LYS A 87 -2.798 -5.074 -15.720 1.00 0.00 C ATOM 1406 CG LYS A 87 -2.164 -3.695 -15.778 1.00 0.00 C ATOM 1407 CD LYS A 87 -1.086 -3.532 -14.720 1.00 0.00 C ATOM 1408 CE LYS A 87 -0.152 -2.377 -15.048 1.00 0.00 C ATOM 1409 NZ LYS A 87 0.761 -2.706 -16.178 1.00 0.00 N ATOM 0 H LYS A 87 -2.535 -5.105 -13.240 1.00 0.00 H new ATOM 0 HA LYS A 87 -4.538 -4.228 -14.782 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -2.041 -5.800 -15.423 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.132 -5.353 -16.719 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.733 -3.533 -16.766 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.932 -2.934 -15.637 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.551 -3.361 -13.749 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -0.511 -4.455 -14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.740 -1.495 -15.301 1.00 0.00 H new ATOM 0 HE3 LYS A 87 0.437 -2.125 -14.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 1.519 -1.996 -16.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 1.177 -3.647 -16.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.225 -2.705 -17.069 1.00 0.00 H new