USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=17 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+ 179:sc= 0 (180deg=-0.00139) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.0468 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= 0.108 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 61:sc= 1.17 USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 HIS : no HD1:sc= -0.697 K(o=-0.7,f=-1.9) USER MOD Single : A 47 LYS NZ :NH3+ -137:sc= -0.561 (180deg=-2.64!) USER MOD Single : A 48 ASN : amide:sc= -0.324 X(o=-0.32,f=-0.043) 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 107:sc= -3.71! USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= -7.65! C(o=-7.6!,f=-8.9!) USER MOD Single : A 68 GLN : amide:sc= -2.04 X(o=-2,f=-2!) 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 HE2:sc= -2.58 K(o=-2.6,f=-4.1!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -4.79! C(o=-4.8!,f=-8.1!) USER MOD Single : A 86 LYS NZ :NH3+ 153:sc= -4.3! (180deg=-5.89!) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 106 N LYS A 10 9.352 6.004 12.314 1.00 0.00 N ATOM 107 CA LYS A 10 8.013 5.779 12.848 1.00 0.00 C ATOM 108 C LYS A 10 7.414 4.493 12.286 1.00 0.00 C ATOM 109 O LYS A 10 7.842 4.000 11.242 1.00 0.00 O ATOM 110 CB LYS A 10 7.104 6.965 12.518 1.00 0.00 C ATOM 111 CG LYS A 10 6.011 7.198 13.547 1.00 0.00 C ATOM 112 CD LYS A 10 4.776 7.819 12.918 1.00 0.00 C ATOM 113 CE LYS A 10 3.576 7.741 13.850 1.00 0.00 C ATOM 114 NZ LYS A 10 3.765 8.578 15.067 1.00 0.00 N ATOM 0 HA LYS A 10 8.091 5.680 13.931 1.00 0.00 H new ATOM 0 HB2 LYS A 10 7.712 7.866 12.435 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.645 6.800 11.543 1.00 0.00 H new ATOM 0 HG2 LYS A 10 5.744 6.251 14.016 1.00 0.00 H new ATOM 0 HG3 LYS A 10 6.386 7.850 14.336 1.00 0.00 H new ATOM 0 HD2 LYS A 10 4.978 8.861 12.670 1.00 0.00 H new ATOM 0 HD3 LYS A 10 4.546 7.307 11.983 1.00 0.00 H new ATOM 0 HE2 LYS A 10 2.682 8.068 13.319 1.00 0.00 H new ATOM 0 HE3 LYS A 10 3.411 6.704 14.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 2.919 8.512 15.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 4.594 8.239 15.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 3.914 9.569 14.787 1.00 0.00 H new ATOM 128 N LEU A 11 6.419 3.956 12.984 1.00 0.00 N ATOM 129 CA LEU A 11 5.759 2.728 12.555 1.00 0.00 C ATOM 130 C LEU A 11 4.361 3.021 12.019 1.00 0.00 C ATOM 131 O LEU A 11 3.521 3.584 12.720 1.00 0.00 O ATOM 132 CB LEU A 11 5.675 1.737 13.717 1.00 0.00 C ATOM 133 CG LEU A 11 6.954 0.959 14.029 1.00 0.00 C ATOM 134 CD1 LEU A 11 7.411 0.173 12.809 1.00 0.00 C ATOM 135 CD2 LEU A 11 8.051 1.901 14.500 1.00 0.00 C ATOM 0 H LEU A 11 6.052 4.352 13.849 1.00 0.00 H new ATOM 0 HA LEU A 11 6.351 2.287 11.753 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.378 2.282 14.613 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.882 1.021 13.501 1.00 0.00 H new ATOM 0 HG LEU A 11 6.740 0.254 14.832 1.00 0.00 H new ATOM 0 HD11 LEU A 11 8.322 -0.374 13.049 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.632 -0.531 12.517 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.607 0.860 11.986 1.00 0.00 H new ATOM 0 HD21 LEU A 11 8.953 1.329 14.717 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.263 2.631 13.719 1.00 0.00 H new ATOM 0 HD23 LEU A 11 7.724 2.419 15.402 1.00 0.00 H new ATOM 147 N VAL A 12 4.118 2.632 10.771 1.00 0.00 N ATOM 148 CA VAL A 12 2.821 2.849 10.142 1.00 0.00 C ATOM 149 C VAL A 12 2.214 1.534 9.665 1.00 0.00 C ATOM 150 O VAL A 12 2.925 0.646 9.193 1.00 0.00 O ATOM 151 CB VAL A 12 2.931 3.814 8.947 1.00 0.00 C ATOM 152 CG1 VAL A 12 3.558 5.130 9.380 1.00 0.00 C ATOM 153 CG2 VAL A 12 3.732 3.177 7.821 1.00 0.00 C ATOM 0 H VAL A 12 4.802 2.165 10.176 1.00 0.00 H new ATOM 0 HA VAL A 12 2.173 3.292 10.898 1.00 0.00 H new ATOM 0 HB VAL A 12 1.927 4.022 8.576 1.00 0.00 H new ATOM 0 HG11 VAL A 12 3.628 5.799 8.523 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.941 5.591 10.151 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.556 4.944 9.777 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.800 3.872 6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.734 2.939 8.177 1.00 0.00 H new ATOM 0 HG23 VAL A 12 3.236 2.263 7.494 1.00 0.00 H new ATOM 163 N ARG A 13 0.897 1.416 9.790 1.00 0.00 N ATOM 164 CA ARG A 13 0.194 0.209 9.373 1.00 0.00 C ATOM 165 C ARG A 13 -0.620 0.464 8.107 1.00 0.00 C ATOM 166 O ARG A 13 -1.183 1.544 7.927 1.00 0.00 O ATOM 167 CB ARG A 13 -0.725 -0.285 10.492 1.00 0.00 C ATOM 168 CG ARG A 13 0.022 -0.876 11.676 1.00 0.00 C ATOM 169 CD ARG A 13 0.486 0.206 12.638 1.00 0.00 C ATOM 170 NE ARG A 13 -0.635 0.885 13.281 1.00 0.00 N ATOM 171 CZ ARG A 13 -0.502 1.698 14.323 1.00 0.00 C ATOM 172 NH1 ARG A 13 0.697 1.933 14.836 1.00 0.00 N ATOM 173 NH2 ARG A 13 -1.571 2.279 14.853 1.00 0.00 N ATOM 0 H ARG A 13 0.294 2.142 10.177 1.00 0.00 H new ATOM 0 HA ARG A 13 0.938 -0.558 9.158 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -1.340 0.545 10.839 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -1.403 -1.037 10.089 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.625 -1.579 12.202 1.00 0.00 H new ATOM 0 HG3 ARG A 13 0.883 -1.441 11.319 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.127 -0.237 13.400 1.00 0.00 H new ATOM 0 HD3 ARG A 13 1.090 0.935 12.099 1.00 0.00 H new ATOM 0 HE ARG A 13 -1.572 0.726 12.910 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.521 1.489 14.431 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.796 2.558 15.636 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -2.495 2.101 14.460 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.468 2.903 15.653 1.00 0.00 H new ATOM 187 N ILE A 14 -0.676 -0.537 7.235 1.00 0.00 N ATOM 188 CA ILE A 14 -1.421 -0.421 5.987 1.00 0.00 C ATOM 189 C ILE A 14 -2.331 -1.626 5.776 1.00 0.00 C ATOM 190 O ILE A 14 -1.881 -2.691 5.353 1.00 0.00 O ATOM 191 CB ILE A 14 -0.476 -0.287 4.778 1.00 0.00 C ATOM 192 CG1 ILE A 14 0.406 0.954 4.928 1.00 0.00 C ATOM 193 CG2 ILE A 14 -1.276 -0.222 3.486 1.00 0.00 C ATOM 194 CD1 ILE A 14 -0.369 2.252 4.916 1.00 0.00 C ATOM 0 H ILE A 14 -0.215 -1.437 7.369 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.029 0.481 6.065 1.00 0.00 H new ATOM 0 HB ILE A 14 0.169 -1.165 4.740 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.964 0.882 5.862 1.00 0.00 H new ATOM 0 HG13 ILE A 14 1.137 0.970 4.120 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.595 -0.127 2.641 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.865 -1.132 3.377 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.942 0.640 3.513 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.321 3.089 5.027 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -0.906 2.347 3.972 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -1.082 2.258 5.741 1.00 0.00 H new ATOM 206 N TYR A 15 -3.614 -1.450 6.072 1.00 0.00 N ATOM 207 CA TYR A 15 -4.588 -2.523 5.916 1.00 0.00 C ATOM 208 C TYR A 15 -4.862 -2.800 4.440 1.00 0.00 C ATOM 209 O TYR A 15 -5.621 -2.080 3.791 1.00 0.00 O ATOM 210 CB TYR A 15 -5.893 -2.164 6.629 1.00 0.00 C ATOM 211 CG TYR A 15 -5.693 -1.673 8.045 1.00 0.00 C ATOM 212 CD1 TYR A 15 -5.329 -2.550 9.060 1.00 0.00 C ATOM 213 CD2 TYR A 15 -5.870 -0.334 8.369 1.00 0.00 C ATOM 214 CE1 TYR A 15 -5.147 -2.106 10.355 1.00 0.00 C ATOM 215 CE2 TYR A 15 -5.688 0.119 9.661 1.00 0.00 C ATOM 216 CZ TYR A 15 -5.327 -0.771 10.651 1.00 0.00 C ATOM 217 OH TYR A 15 -5.146 -0.324 11.940 1.00 0.00 O ATOM 0 H TYR A 15 -4.003 -0.574 6.421 1.00 0.00 H new ATOM 0 HA TYR A 15 -4.172 -3.425 6.366 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.411 -1.395 6.056 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.542 -3.040 6.645 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.186 -3.596 8.832 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -6.155 0.365 7.597 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -4.865 -2.801 11.132 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.828 1.164 9.895 1.00 0.00 H new ATOM 0 HH TYR A 15 -5.311 0.641 11.978 1.00 0.00 H new ATOM 227 N THR A 16 -4.237 -3.850 3.916 1.00 0.00 N ATOM 228 CA THR A 16 -4.411 -4.223 2.518 1.00 0.00 C ATOM 229 C THR A 16 -5.846 -4.654 2.239 1.00 0.00 C ATOM 230 O THR A 16 -6.529 -5.182 3.117 1.00 0.00 O ATOM 231 CB THR A 16 -3.457 -5.364 2.118 1.00 0.00 C ATOM 232 OG1 THR A 16 -3.643 -5.698 0.738 1.00 0.00 O ATOM 233 CG2 THR A 16 -3.695 -6.596 2.980 1.00 0.00 C ATOM 0 H THR A 16 -3.606 -4.457 4.439 1.00 0.00 H new ATOM 0 HA THR A 16 -4.178 -3.340 1.924 1.00 0.00 H new ATOM 0 HB THR A 16 -2.433 -5.023 2.274 1.00 0.00 H new ATOM 0 HG1 THR A 16 -3.031 -6.423 0.492 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.010 -7.388 2.679 1.00 0.00 H new ATOM 0 HG22 THR A 16 -3.523 -6.346 4.027 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.722 -6.937 2.852 1.00 0.00 H new ATOM 241 N LYS A 17 -6.299 -4.427 1.010 1.00 0.00 N ATOM 242 CA LYS A 17 -7.653 -4.794 0.613 1.00 0.00 C ATOM 243 C LYS A 17 -7.636 -5.654 -0.647 1.00 0.00 C ATOM 244 O LYS A 17 -7.599 -5.151 -1.770 1.00 0.00 O ATOM 245 CB LYS A 17 -8.494 -3.538 0.375 1.00 0.00 C ATOM 246 CG LYS A 17 -9.988 -3.769 0.529 1.00 0.00 C ATOM 247 CD LYS A 17 -10.770 -2.474 0.385 1.00 0.00 C ATOM 248 CE LYS A 17 -12.087 -2.531 1.144 1.00 0.00 C ATOM 249 NZ LYS A 17 -13.131 -3.275 0.387 1.00 0.00 N ATOM 0 H LYS A 17 -5.747 -3.990 0.272 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.098 -5.374 1.421 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.181 -2.763 1.074 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -8.294 -3.162 -0.628 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -10.326 -4.484 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.190 -4.211 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.171 -1.643 0.756 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.965 -2.281 -0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.929 -3.009 2.111 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.436 -1.518 1.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.013 -3.292 0.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -13.300 -2.804 -0.525 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -12.810 -4.250 0.219 1.00 0.00 H new ATOM 263 N PRO A 18 -7.667 -6.982 -0.459 1.00 0.00 N ATOM 264 CA PRO A 18 -7.658 -7.939 -1.569 1.00 0.00 C ATOM 265 C PRO A 18 -8.963 -7.922 -2.358 1.00 0.00 C ATOM 266 O PRO A 18 -10.001 -7.493 -1.854 1.00 0.00 O ATOM 267 CB PRO A 18 -7.472 -9.289 -0.872 1.00 0.00 C ATOM 268 CG PRO A 18 -8.009 -9.083 0.503 1.00 0.00 C ATOM 269 CD PRO A 18 -7.712 -7.651 0.853 1.00 0.00 C ATOM 0 HA PRO A 18 -6.881 -7.710 -2.299 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -8.010 -10.081 -1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.422 -9.580 -0.847 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -9.081 -9.279 0.537 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -7.538 -9.764 1.212 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -8.484 -7.226 1.495 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -6.766 -7.555 1.386 1.00 0.00 H new ATOM 277 N LYS A 19 -8.904 -8.393 -3.600 1.00 0.00 N ATOM 278 CA LYS A 19 -10.080 -8.435 -4.459 1.00 0.00 C ATOM 279 C LYS A 19 -11.048 -9.523 -4.006 1.00 0.00 C ATOM 280 O LYS A 19 -10.793 -10.712 -4.197 1.00 0.00 O ATOM 281 CB LYS A 19 -9.667 -8.678 -5.913 1.00 0.00 C ATOM 282 CG LYS A 19 -8.643 -7.682 -6.429 1.00 0.00 C ATOM 283 CD LYS A 19 -8.596 -7.666 -7.948 1.00 0.00 C ATOM 284 CE LYS A 19 -9.805 -6.955 -8.535 1.00 0.00 C ATOM 285 NZ LYS A 19 -9.529 -6.425 -9.899 1.00 0.00 N ATOM 0 H LYS A 19 -8.053 -8.751 -4.033 1.00 0.00 H new ATOM 0 HA LYS A 19 -10.585 -7.472 -4.387 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.259 -9.685 -6.003 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.554 -8.636 -6.546 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -8.886 -6.685 -6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.658 -7.935 -6.036 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -7.684 -7.170 -8.280 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.557 -8.689 -8.323 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.647 -7.646 -8.577 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -10.098 -6.135 -7.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.378 -5.948 -10.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.742 -5.747 -9.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.274 -7.210 -10.532 1.00 0.00 H new ATOM 299 N GLY A 20 -12.159 -9.109 -3.406 1.00 0.00 N ATOM 300 CA GLY A 20 -13.148 -10.061 -2.936 1.00 0.00 C ATOM 301 C GLY A 20 -13.152 -10.196 -1.426 1.00 0.00 C ATOM 302 O GLY A 20 -14.171 -9.955 -0.779 1.00 0.00 O ATOM 0 H GLY A 20 -12.392 -8.131 -3.237 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -14.137 -9.749 -3.272 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -12.952 -11.035 -3.384 1.00 0.00 H new ATOM 306 N GLN A 21 -12.012 -10.583 -0.865 1.00 0.00 N ATOM 307 CA GLN A 21 -11.889 -10.751 0.578 1.00 0.00 C ATOM 308 C GLN A 21 -11.866 -9.400 1.284 1.00 0.00 C ATOM 309 O GLN A 21 -11.675 -8.360 0.651 1.00 0.00 O ATOM 310 CB GLN A 21 -10.622 -11.538 0.915 1.00 0.00 C ATOM 311 CG GLN A 21 -10.730 -13.024 0.616 1.00 0.00 C ATOM 312 CD GLN A 21 -9.475 -13.788 0.991 1.00 0.00 C ATOM 313 OE1 GLN A 21 -9.228 -14.061 2.166 1.00 0.00 O ATOM 314 NE2 GLN A 21 -8.674 -14.139 -0.009 1.00 0.00 N ATOM 0 H GLN A 21 -11.160 -10.786 -1.387 1.00 0.00 H new ATOM 0 HA GLN A 21 -12.758 -11.308 0.928 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -9.786 -11.123 0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -10.392 -11.405 1.972 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -11.579 -13.439 1.159 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -10.932 -13.163 -0.446 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -8.917 -13.892 -0.968 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.816 -14.656 0.182 1.00 0.00 H new ATOM 323 N LEU A 22 -12.063 -9.420 2.598 1.00 0.00 N ATOM 324 CA LEU A 22 -12.065 -8.196 3.390 1.00 0.00 C ATOM 325 C LEU A 22 -10.646 -7.804 3.790 1.00 0.00 C ATOM 326 O LEU A 22 -9.758 -8.646 3.928 1.00 0.00 O ATOM 327 CB LEU A 22 -12.928 -8.375 4.640 1.00 0.00 C ATOM 328 CG LEU A 22 -12.208 -8.894 5.885 1.00 0.00 C ATOM 329 CD1 LEU A 22 -11.489 -7.760 6.598 1.00 0.00 C ATOM 330 CD2 LEU A 22 -13.190 -9.579 6.823 1.00 0.00 C ATOM 0 H LEU A 22 -12.223 -10.271 3.137 1.00 0.00 H new ATOM 0 HA LEU A 22 -12.484 -7.397 2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -13.384 -7.415 4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -13.740 -9.062 4.401 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.465 -9.627 5.572 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.983 -8.149 7.481 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -10.756 -7.315 5.926 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -12.213 -7.002 6.899 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.660 -9.942 7.703 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -13.957 -8.868 7.129 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -13.658 -10.419 6.310 1.00 0.00 H new ATOM 342 N PRO A 23 -10.426 -6.495 3.985 1.00 0.00 N ATOM 343 CA PRO A 23 -9.117 -5.962 4.375 1.00 0.00 C ATOM 344 C PRO A 23 -8.741 -6.337 5.804 1.00 0.00 C ATOM 345 O PRO A 23 -9.457 -6.009 6.751 1.00 0.00 O ATOM 346 CB PRO A 23 -9.300 -4.447 4.250 1.00 0.00 C ATOM 347 CG PRO A 23 -10.763 -4.226 4.426 1.00 0.00 C ATOM 348 CD PRO A 23 -11.438 -5.435 3.839 1.00 0.00 C ATOM 0 HA PRO A 23 -8.313 -6.361 3.756 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -8.725 -3.915 5.008 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -8.959 -4.086 3.280 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -11.016 -4.111 5.480 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -11.084 -3.316 3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -12.357 -5.680 4.372 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -11.707 -5.278 2.795 1.00 0.00 H new ATOM 356 N ASP A 24 -7.615 -7.025 5.953 1.00 0.00 N ATOM 357 CA ASP A 24 -7.143 -7.444 7.268 1.00 0.00 C ATOM 358 C ASP A 24 -6.941 -6.239 8.181 1.00 0.00 C ATOM 359 O ASP A 24 -6.116 -5.368 7.903 1.00 0.00 O ATOM 360 CB ASP A 24 -5.835 -8.226 7.138 1.00 0.00 C ATOM 361 CG ASP A 24 -5.796 -9.086 5.890 1.00 0.00 C ATOM 362 OD1 ASP A 24 -5.525 -8.538 4.800 1.00 0.00 O ATOM 363 OD2 ASP A 24 -6.035 -10.306 6.003 1.00 0.00 O ATOM 0 H ASP A 24 -7.012 -7.305 5.180 1.00 0.00 H new ATOM 0 HA ASP A 24 -7.901 -8.090 7.711 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -4.998 -7.528 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -5.705 -8.859 8.016 1.00 0.00 H new ATOM 368 N TYR A 25 -7.699 -6.196 9.271 1.00 0.00 N ATOM 369 CA TYR A 25 -7.605 -5.097 10.224 1.00 0.00 C ATOM 370 C TYR A 25 -6.884 -5.536 11.495 1.00 0.00 C ATOM 371 O TYR A 25 -6.580 -4.720 12.366 1.00 0.00 O ATOM 372 CB TYR A 25 -9.001 -4.575 10.571 1.00 0.00 C ATOM 373 CG TYR A 25 -9.679 -3.855 9.428 1.00 0.00 C ATOM 374 CD1 TYR A 25 -9.136 -2.694 8.892 1.00 0.00 C ATOM 375 CD2 TYR A 25 -10.864 -4.335 8.884 1.00 0.00 C ATOM 376 CE1 TYR A 25 -9.753 -2.032 7.848 1.00 0.00 C ATOM 377 CE2 TYR A 25 -11.487 -3.681 7.839 1.00 0.00 C ATOM 378 CZ TYR A 25 -10.928 -2.530 7.325 1.00 0.00 C ATOM 379 OH TYR A 25 -11.546 -1.874 6.284 1.00 0.00 O ATOM 0 H TYR A 25 -8.385 -6.910 9.516 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.029 -4.296 9.760 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -9.625 -5.412 10.884 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -8.926 -3.898 11.422 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -8.215 -2.302 9.299 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.306 -5.235 9.285 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -9.318 -1.130 7.444 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -12.407 -4.069 7.427 1.00 0.00 H new ATOM 0 HH TYR A 25 -12.362 -2.355 6.032 1.00 0.00 H new ATOM 389 N THR A 26 -6.612 -6.834 11.594 1.00 0.00 N ATOM 390 CA THR A 26 -5.928 -7.385 12.757 1.00 0.00 C ATOM 391 C THR A 26 -4.503 -7.802 12.410 1.00 0.00 C ATOM 392 O THR A 26 -3.647 -7.912 13.288 1.00 0.00 O ATOM 393 CB THR A 26 -6.682 -8.600 13.330 1.00 0.00 C ATOM 394 OG1 THR A 26 -6.664 -9.677 12.386 1.00 0.00 O ATOM 395 CG2 THR A 26 -8.120 -8.236 13.664 1.00 0.00 C ATOM 0 H THR A 26 -6.855 -7.523 10.882 1.00 0.00 H new ATOM 0 HA THR A 26 -5.900 -6.597 13.510 1.00 0.00 H new ATOM 0 HB THR A 26 -6.181 -8.912 14.246 1.00 0.00 H new ATOM 0 HG1 THR A 26 -7.144 -10.446 12.758 1.00 0.00 H new ATOM 0 HG21 THR A 26 -8.632 -9.110 14.067 1.00 0.00 H new ATOM 0 HG22 THR A 26 -8.130 -7.436 14.404 1.00 0.00 H new ATOM 0 HG23 THR A 26 -8.630 -7.901 12.761 1.00 0.00 H new ATOM 403 N SER A 27 -4.256 -8.033 11.125 1.00 0.00 N ATOM 404 CA SER A 27 -2.935 -8.441 10.662 1.00 0.00 C ATOM 405 C SER A 27 -2.398 -7.465 9.620 1.00 0.00 C ATOM 406 O SER A 27 -2.033 -7.843 8.507 1.00 0.00 O ATOM 407 CB SER A 27 -2.991 -9.852 10.073 1.00 0.00 C ATOM 408 OG SER A 27 -2.773 -10.832 11.074 1.00 0.00 O ATOM 0 H SER A 27 -4.953 -7.945 10.386 1.00 0.00 H new ATOM 0 HA SER A 27 -2.261 -8.438 11.519 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.962 -10.016 9.605 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.239 -9.953 9.291 1.00 0.00 H new ATOM 0 HG SER A 27 -2.815 -11.725 10.672 1.00 0.00 H new ATOM 414 N PRO A 28 -2.348 -6.176 9.989 1.00 0.00 N ATOM 415 CA PRO A 28 -1.857 -5.117 9.102 1.00 0.00 C ATOM 416 C PRO A 28 -0.353 -5.210 8.866 1.00 0.00 C ATOM 417 O PRO A 28 0.365 -5.863 9.623 1.00 0.00 O ATOM 418 CB PRO A 28 -2.201 -3.832 9.859 1.00 0.00 C ATOM 419 CG PRO A 28 -2.256 -4.239 11.291 1.00 0.00 C ATOM 420 CD PRO A 28 -2.766 -5.654 11.301 1.00 0.00 C ATOM 0 HA PRO A 28 -2.305 -5.176 8.110 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -1.447 -3.062 9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -3.154 -3.420 9.528 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -1.271 -4.176 11.752 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.916 -3.582 11.858 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -2.335 -6.231 12.119 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -3.849 -5.690 11.422 1.00 0.00 H new ATOM 428 N VAL A 29 0.117 -4.551 7.812 1.00 0.00 N ATOM 429 CA VAL A 29 1.536 -4.558 7.477 1.00 0.00 C ATOM 430 C VAL A 29 2.235 -3.315 8.019 1.00 0.00 C ATOM 431 O VAL A 29 1.898 -2.190 7.650 1.00 0.00 O ATOM 432 CB VAL A 29 1.753 -4.632 5.954 1.00 0.00 C ATOM 433 CG1 VAL A 29 1.199 -3.389 5.274 1.00 0.00 C ATOM 434 CG2 VAL A 29 3.230 -4.811 5.635 1.00 0.00 C ATOM 0 H VAL A 29 -0.464 -4.006 7.175 1.00 0.00 H new ATOM 0 HA VAL A 29 1.966 -5.445 7.941 1.00 0.00 H new ATOM 0 HB VAL A 29 1.214 -5.498 5.569 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.362 -3.460 4.199 1.00 0.00 H new ATOM 0 HG12 VAL A 29 0.131 -3.310 5.475 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.707 -2.506 5.661 1.00 0.00 H new ATOM 0 HG21 VAL A 29 3.365 -4.861 4.555 1.00 0.00 H new ATOM 0 HG22 VAL A 29 3.793 -3.966 6.032 1.00 0.00 H new ATOM 0 HG23 VAL A 29 3.591 -5.734 6.089 1.00 0.00 H new ATOM 444 N VAL A 30 3.211 -3.527 8.896 1.00 0.00 N ATOM 445 CA VAL A 30 3.959 -2.424 9.488 1.00 0.00 C ATOM 446 C VAL A 30 5.167 -2.059 8.634 1.00 0.00 C ATOM 447 O VAL A 30 6.192 -2.742 8.664 1.00 0.00 O ATOM 448 CB VAL A 30 4.435 -2.770 10.912 1.00 0.00 C ATOM 449 CG1 VAL A 30 5.071 -1.556 11.571 1.00 0.00 C ATOM 450 CG2 VAL A 30 3.278 -3.296 11.747 1.00 0.00 C ATOM 0 H VAL A 30 3.502 -4.452 9.212 1.00 0.00 H new ATOM 0 HA VAL A 30 3.282 -1.571 9.537 1.00 0.00 H new ATOM 0 HB VAL A 30 5.189 -3.554 10.845 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.401 -1.819 12.576 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.927 -1.229 10.981 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.341 -0.749 11.629 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.632 -3.535 12.750 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.499 -2.536 11.809 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.872 -4.194 11.282 1.00 0.00 H new ATOM 460 N LEU A 31 5.042 -0.978 7.873 1.00 0.00 N ATOM 461 CA LEU A 31 6.125 -0.520 7.010 1.00 0.00 C ATOM 462 C LEU A 31 6.908 0.610 7.671 1.00 0.00 C ATOM 463 O LEU A 31 6.377 1.383 8.468 1.00 0.00 O ATOM 464 CB LEU A 31 5.567 -0.049 5.665 1.00 0.00 C ATOM 465 CG LEU A 31 5.014 -1.141 4.749 1.00 0.00 C ATOM 466 CD1 LEU A 31 4.400 -0.529 3.499 1.00 0.00 C ATOM 467 CD2 LEU A 31 6.108 -2.132 4.378 1.00 0.00 C ATOM 0 H LEU A 31 4.201 -0.402 7.836 1.00 0.00 H new ATOM 0 HA LEU A 31 6.802 -1.358 6.843 1.00 0.00 H new ATOM 0 HB2 LEU A 31 4.773 0.673 5.856 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.357 0.479 5.131 1.00 0.00 H new ATOM 0 HG LEU A 31 4.233 -1.678 5.287 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.012 -1.321 2.859 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.587 0.139 3.783 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.161 0.034 2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.696 -2.902 3.726 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.912 -1.609 3.859 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.501 -2.595 5.283 1.00 0.00 H new ATOM 479 N PRO A 32 8.202 0.709 7.333 1.00 0.00 N ATOM 480 CA PRO A 32 9.086 1.742 7.881 1.00 0.00 C ATOM 481 C PRO A 32 8.742 3.134 7.361 1.00 0.00 C ATOM 482 O PRO A 32 8.784 3.386 6.157 1.00 0.00 O ATOM 483 CB PRO A 32 10.474 1.317 7.393 1.00 0.00 C ATOM 484 CG PRO A 32 10.214 0.520 6.162 1.00 0.00 C ATOM 485 CD PRO A 32 8.902 -0.179 6.390 1.00 0.00 C ATOM 0 HA PRO A 32 9.004 1.815 8.965 1.00 0.00 H new ATOM 0 HB2 PRO A 32 11.101 2.183 7.179 1.00 0.00 H new ATOM 0 HB3 PRO A 32 10.994 0.725 8.146 1.00 0.00 H new ATOM 0 HG2 PRO A 32 10.166 1.163 5.284 1.00 0.00 H new ATOM 0 HG3 PRO A 32 11.014 -0.199 5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 32 8.344 -0.299 5.461 1.00 0.00 H new ATOM 0 HD3 PRO A 32 9.045 -1.176 6.807 1.00 0.00 H new ATOM 493 N TYR A 33 8.403 4.035 8.277 1.00 0.00 N ATOM 494 CA TYR A 33 8.050 5.401 7.911 1.00 0.00 C ATOM 495 C TYR A 33 9.022 5.956 6.874 1.00 0.00 C ATOM 496 O TYR A 33 8.626 6.310 5.763 1.00 0.00 O ATOM 497 CB TYR A 33 8.043 6.298 9.150 1.00 0.00 C ATOM 498 CG TYR A 33 7.430 7.659 8.909 1.00 0.00 C ATOM 499 CD1 TYR A 33 8.128 8.646 8.224 1.00 0.00 C ATOM 500 CD2 TYR A 33 6.152 7.958 9.365 1.00 0.00 C ATOM 501 CE1 TYR A 33 7.573 9.891 8.003 1.00 0.00 C ATOM 502 CE2 TYR A 33 5.588 9.200 9.147 1.00 0.00 C ATOM 503 CZ TYR A 33 6.302 10.163 8.465 1.00 0.00 C ATOM 504 OH TYR A 33 5.744 11.402 8.245 1.00 0.00 O ATOM 0 H TYR A 33 8.365 3.843 9.278 1.00 0.00 H new ATOM 0 HA TYR A 33 7.051 5.386 7.475 1.00 0.00 H new ATOM 0 HB2 TYR A 33 7.494 5.797 9.947 1.00 0.00 H new ATOM 0 HB3 TYR A 33 9.067 6.427 9.501 1.00 0.00 H new ATOM 0 HD1 TYR A 33 9.122 8.436 7.858 1.00 0.00 H new ATOM 0 HD2 TYR A 33 5.590 7.206 9.899 1.00 0.00 H new ATOM 0 HE1 TYR A 33 8.131 10.648 7.471 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.593 9.416 9.509 1.00 0.00 H new ATOM 0 HH TYR A 33 4.845 11.429 8.633 1.00 0.00 H new ATOM 514 N SER A 34 10.296 6.027 7.245 1.00 0.00 N ATOM 515 CA SER A 34 11.325 6.541 6.349 1.00 0.00 C ATOM 516 C SER A 34 11.099 6.050 4.923 1.00 0.00 C ATOM 517 O SER A 34 11.388 6.758 3.957 1.00 0.00 O ATOM 518 CB SER A 34 12.712 6.114 6.833 1.00 0.00 C ATOM 519 OG SER A 34 13.213 7.015 7.806 1.00 0.00 O ATOM 0 H SER A 34 10.640 5.735 8.160 1.00 0.00 H new ATOM 0 HA SER A 34 11.265 7.629 6.354 1.00 0.00 H new ATOM 0 HB2 SER A 34 12.660 5.110 7.255 1.00 0.00 H new ATOM 0 HB3 SER A 34 13.398 6.069 5.987 1.00 0.00 H new ATOM 0 HG SER A 34 14.100 6.719 8.100 1.00 0.00 H new ATOM 525 N ARG A 35 10.580 4.833 4.798 1.00 0.00 N ATOM 526 CA ARG A 35 10.316 4.245 3.490 1.00 0.00 C ATOM 527 C ARG A 35 8.860 3.800 3.379 1.00 0.00 C ATOM 528 O ARG A 35 8.526 2.652 3.674 1.00 0.00 O ATOM 529 CB ARG A 35 11.244 3.055 3.245 1.00 0.00 C ATOM 530 CG ARG A 35 12.692 3.451 3.006 1.00 0.00 C ATOM 531 CD ARG A 35 12.914 3.916 1.576 1.00 0.00 C ATOM 532 NE ARG A 35 14.125 4.722 1.443 1.00 0.00 N ATOM 533 CZ ARG A 35 14.738 4.943 0.286 1.00 0.00 C ATOM 534 NH1 ARG A 35 14.255 4.423 -0.834 1.00 0.00 N ATOM 535 NH2 ARG A 35 15.835 5.687 0.246 1.00 0.00 N ATOM 0 H ARG A 35 10.334 4.235 5.587 1.00 0.00 H new ATOM 0 HA ARG A 35 10.505 5.006 2.732 1.00 0.00 H new ATOM 0 HB2 ARG A 35 11.196 2.385 4.104 1.00 0.00 H new ATOM 0 HB3 ARG A 35 10.882 2.495 2.383 1.00 0.00 H new ATOM 0 HG2 ARG A 35 12.971 4.247 3.696 1.00 0.00 H new ATOM 0 HG3 ARG A 35 13.342 2.602 3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 35 12.982 3.049 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 35 12.053 4.498 1.247 1.00 0.00 H new ATOM 0 HE ARG A 35 14.522 5.138 2.286 1.00 0.00 H new ATOM 0 HH11 ARG A 35 13.410 3.852 -0.808 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.728 4.594 -1.721 1.00 0.00 H new ATOM 0 HH21 ARG A 35 16.209 6.090 1.105 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.305 5.856 -0.644 1.00 0.00 H new ATOM 549 N THR A 36 7.998 4.716 2.950 1.00 0.00 N ATOM 550 CA THR A 36 6.579 4.420 2.801 1.00 0.00 C ATOM 551 C THR A 36 6.082 4.791 1.409 1.00 0.00 C ATOM 552 O THR A 36 6.108 5.960 1.020 1.00 0.00 O ATOM 553 CB THR A 36 5.735 5.167 3.851 1.00 0.00 C ATOM 554 OG1 THR A 36 6.182 6.523 3.963 1.00 0.00 O ATOM 555 CG2 THR A 36 5.827 4.483 5.207 1.00 0.00 C ATOM 0 H THR A 36 8.258 5.670 2.699 1.00 0.00 H new ATOM 0 HA THR A 36 6.464 3.346 2.950 1.00 0.00 H new ATOM 0 HB THR A 36 4.695 5.153 3.526 1.00 0.00 H new ATOM 0 HG1 THR A 36 6.987 6.557 4.521 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.223 5.029 5.932 1.00 0.00 H new ATOM 0 HG22 THR A 36 5.459 3.460 5.124 1.00 0.00 H new ATOM 0 HG23 THR A 36 6.866 4.469 5.538 1.00 0.00 H new ATOM 563 N THR A 37 5.630 3.790 0.660 1.00 0.00 N ATOM 564 CA THR A 37 5.128 4.012 -0.690 1.00 0.00 C ATOM 565 C THR A 37 4.412 2.775 -1.221 1.00 0.00 C ATOM 566 O THR A 37 4.775 1.646 -0.891 1.00 0.00 O ATOM 567 CB THR A 37 6.266 4.387 -1.658 1.00 0.00 C ATOM 568 OG1 THR A 37 7.464 3.689 -1.300 1.00 0.00 O ATOM 569 CG2 THR A 37 6.522 5.887 -1.638 1.00 0.00 C ATOM 0 H THR A 37 5.601 2.817 0.966 1.00 0.00 H new ATOM 0 HA THR A 37 4.422 4.840 -0.632 1.00 0.00 H new ATOM 0 HB THR A 37 5.965 4.099 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 37 8.182 3.932 -1.921 1.00 0.00 H new ATOM 0 HG21 THR A 37 7.330 6.128 -2.329 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.617 6.415 -1.940 1.00 0.00 H new ATOM 0 HG23 THR A 37 6.803 6.195 -0.631 1.00 0.00 H new ATOM 577 N VAL A 38 3.393 2.995 -2.045 1.00 0.00 N ATOM 578 CA VAL A 38 2.626 1.898 -2.624 1.00 0.00 C ATOM 579 C VAL A 38 3.546 0.796 -3.137 1.00 0.00 C ATOM 580 O VAL A 38 3.227 -0.388 -3.040 1.00 0.00 O ATOM 581 CB VAL A 38 1.732 2.385 -3.779 1.00 0.00 C ATOM 582 CG1 VAL A 38 1.181 1.204 -4.563 1.00 0.00 C ATOM 583 CG2 VAL A 38 0.604 3.257 -3.248 1.00 0.00 C ATOM 0 H VAL A 38 3.079 3.924 -2.327 1.00 0.00 H new ATOM 0 HA VAL A 38 1.994 1.500 -1.830 1.00 0.00 H new ATOM 0 HB VAL A 38 2.338 2.987 -4.456 1.00 0.00 H new ATOM 0 HG11 VAL A 38 0.552 1.568 -5.375 1.00 0.00 H new ATOM 0 HG12 VAL A 38 2.007 0.624 -4.976 1.00 0.00 H new ATOM 0 HG13 VAL A 38 0.589 0.572 -3.901 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -0.018 3.592 -4.078 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.003 2.681 -2.549 1.00 0.00 H new ATOM 0 HG23 VAL A 38 1.024 4.123 -2.736 1.00 0.00 H new ATOM 593 N GLU A 39 4.690 1.195 -3.684 1.00 0.00 N ATOM 594 CA GLU A 39 5.657 0.240 -4.214 1.00 0.00 C ATOM 595 C GLU A 39 6.320 -0.545 -3.086 1.00 0.00 C ATOM 596 O GLU A 39 6.515 -1.756 -3.189 1.00 0.00 O ATOM 597 CB GLU A 39 6.722 0.964 -5.040 1.00 0.00 C ATOM 598 CG GLU A 39 7.511 1.993 -4.249 1.00 0.00 C ATOM 599 CD GLU A 39 8.654 2.591 -5.047 1.00 0.00 C ATOM 600 OE1 GLU A 39 8.397 3.495 -5.868 1.00 0.00 O ATOM 601 OE2 GLU A 39 9.807 2.153 -4.849 1.00 0.00 O ATOM 0 H GLU A 39 4.970 2.172 -3.772 1.00 0.00 H new ATOM 0 HA GLU A 39 5.123 -0.460 -4.856 1.00 0.00 H new ATOM 0 HB2 GLU A 39 7.412 0.228 -5.452 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.241 1.458 -5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.841 2.790 -3.927 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.907 1.527 -3.347 1.00 0.00 H new ATOM 608 N ASP A 40 6.665 0.154 -2.010 1.00 0.00 N ATOM 609 CA ASP A 40 7.306 -0.477 -0.861 1.00 0.00 C ATOM 610 C ASP A 40 6.443 -1.608 -0.311 1.00 0.00 C ATOM 611 O ASP A 40 6.957 -2.597 0.211 1.00 0.00 O ATOM 612 CB ASP A 40 7.571 0.558 0.233 1.00 0.00 C ATOM 613 CG ASP A 40 8.067 -0.074 1.519 1.00 0.00 C ATOM 614 OD1 ASP A 40 8.719 -1.136 1.445 1.00 0.00 O ATOM 615 OD2 ASP A 40 7.801 0.493 2.600 1.00 0.00 O ATOM 0 H ASP A 40 6.512 1.157 -1.909 1.00 0.00 H new ATOM 0 HA ASP A 40 8.256 -0.897 -1.191 1.00 0.00 H new ATOM 0 HB2 ASP A 40 8.308 1.278 -0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.655 1.113 0.434 1.00 0.00 H new ATOM 620 N PHE A 41 5.128 -1.455 -0.431 1.00 0.00 N ATOM 621 CA PHE A 41 4.194 -2.463 0.056 1.00 0.00 C ATOM 622 C PHE A 41 4.114 -3.642 -0.909 1.00 0.00 C ATOM 623 O PHE A 41 4.142 -4.801 -0.493 1.00 0.00 O ATOM 624 CB PHE A 41 2.805 -1.851 0.248 1.00 0.00 C ATOM 625 CG PHE A 41 1.718 -2.873 0.423 1.00 0.00 C ATOM 626 CD1 PHE A 41 1.333 -3.682 -0.634 1.00 0.00 C ATOM 627 CD2 PHE A 41 1.081 -3.024 1.644 1.00 0.00 C ATOM 628 CE1 PHE A 41 0.334 -4.624 -0.476 1.00 0.00 C ATOM 629 CE2 PHE A 41 0.081 -3.964 1.808 1.00 0.00 C ATOM 630 CZ PHE A 41 -0.294 -4.764 0.746 1.00 0.00 C ATOM 0 H PHE A 41 4.686 -0.643 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 41 4.559 -2.827 1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 41 2.822 -1.198 1.120 1.00 0.00 H new ATOM 0 HB3 PHE A 41 2.570 -1.226 -0.614 1.00 0.00 H new ATOM 0 HD1 PHE A 41 1.819 -3.575 -1.592 1.00 0.00 H new ATOM 0 HD2 PHE A 41 1.369 -2.400 2.477 1.00 0.00 H new ATOM 0 HE1 PHE A 41 0.045 -5.250 -1.307 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -0.407 -4.073 2.765 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.077 -5.497 0.871 1.00 0.00 H new ATOM 640 N CYS A 42 4.013 -3.338 -2.198 1.00 0.00 N ATOM 641 CA CYS A 42 3.927 -4.372 -3.223 1.00 0.00 C ATOM 642 C CYS A 42 5.023 -5.416 -3.035 1.00 0.00 C ATOM 643 O CYS A 42 4.828 -6.595 -3.329 1.00 0.00 O ATOM 644 CB CYS A 42 4.032 -3.749 -4.615 1.00 0.00 C ATOM 645 SG CYS A 42 2.678 -2.623 -5.024 1.00 0.00 S ATOM 0 H CYS A 42 3.989 -2.384 -2.558 1.00 0.00 H new ATOM 0 HA CYS A 42 2.960 -4.866 -3.126 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.975 -3.208 -4.689 1.00 0.00 H new ATOM 0 HB3 CYS A 42 4.063 -4.547 -5.357 1.00 0.00 H new ATOM 0 HG CYS A 42 2.663 -1.637 -4.177 1.00 0.00 H new ATOM 651 N MET A 43 6.177 -4.973 -2.546 1.00 0.00 N ATOM 652 CA MET A 43 7.305 -5.870 -2.320 1.00 0.00 C ATOM 653 C MET A 43 7.011 -6.836 -1.177 1.00 0.00 C ATOM 654 O MET A 43 7.429 -7.993 -1.206 1.00 0.00 O ATOM 655 CB MET A 43 8.569 -5.065 -2.011 1.00 0.00 C ATOM 656 CG MET A 43 9.067 -4.240 -3.187 1.00 0.00 C ATOM 657 SD MET A 43 9.718 -5.259 -4.524 1.00 0.00 S ATOM 658 CE MET A 43 8.933 -4.497 -5.943 1.00 0.00 C ATOM 0 H MET A 43 6.356 -4.000 -2.299 1.00 0.00 H new ATOM 0 HA MET A 43 7.465 -6.450 -3.229 1.00 0.00 H new ATOM 0 HB2 MET A 43 8.370 -4.401 -1.170 1.00 0.00 H new ATOM 0 HB3 MET A 43 9.358 -5.749 -1.698 1.00 0.00 H new ATOM 0 HG2 MET A 43 8.250 -3.627 -3.567 1.00 0.00 H new ATOM 0 HG3 MET A 43 9.845 -3.558 -2.844 1.00 0.00 H new ATOM 0 HE1 MET A 43 9.238 -5.018 -6.851 1.00 0.00 H new ATOM 0 HE2 MET A 43 7.850 -4.558 -5.836 1.00 0.00 H new ATOM 0 HE3 MET A 43 9.233 -3.451 -6.007 1.00 0.00 H new ATOM 668 N LYS A 44 6.290 -6.353 -0.171 1.00 0.00 N ATOM 669 CA LYS A 44 5.939 -7.174 0.982 1.00 0.00 C ATOM 670 C LYS A 44 5.097 -8.374 0.560 1.00 0.00 C ATOM 671 O LYS A 44 5.187 -9.447 1.157 1.00 0.00 O ATOM 672 CB LYS A 44 5.175 -6.340 2.014 1.00 0.00 C ATOM 673 CG LYS A 44 6.075 -5.490 2.895 1.00 0.00 C ATOM 674 CD LYS A 44 6.803 -6.334 3.927 1.00 0.00 C ATOM 675 CE LYS A 44 5.891 -6.708 5.085 1.00 0.00 C ATOM 676 NZ LYS A 44 6.404 -7.887 5.836 1.00 0.00 N ATOM 0 H LYS A 44 5.937 -5.397 -0.131 1.00 0.00 H new ATOM 0 HA LYS A 44 6.863 -7.540 1.430 1.00 0.00 H new ATOM 0 HB2 LYS A 44 4.471 -5.690 1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 44 4.588 -7.007 2.645 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.802 -4.965 2.275 1.00 0.00 H new ATOM 0 HG3 LYS A 44 5.479 -4.730 3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 44 7.183 -7.240 3.455 1.00 0.00 H new ATOM 0 HD3 LYS A 44 7.666 -5.785 4.305 1.00 0.00 H new ATOM 0 HE2 LYS A 44 5.797 -5.859 5.762 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.893 -6.925 4.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.755 -8.110 6.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.470 -8.704 5.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 7.346 -7.671 6.220 1.00 0.00 H new ATOM 690 N ILE A 45 4.282 -8.186 -0.472 1.00 0.00 N ATOM 691 CA ILE A 45 3.428 -9.254 -0.975 1.00 0.00 C ATOM 692 C ILE A 45 4.155 -10.094 -2.019 1.00 0.00 C ATOM 693 O ILE A 45 4.543 -11.233 -1.755 1.00 0.00 O ATOM 694 CB ILE A 45 2.133 -8.695 -1.593 1.00 0.00 C ATOM 695 CG1 ILE A 45 1.422 -7.775 -0.598 1.00 0.00 C ATOM 696 CG2 ILE A 45 1.216 -9.832 -2.020 1.00 0.00 C ATOM 697 CD1 ILE A 45 1.265 -8.382 0.779 1.00 0.00 C ATOM 0 H ILE A 45 4.195 -7.304 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 45 3.172 -9.882 -0.121 1.00 0.00 H new ATOM 0 HB ILE A 45 2.392 -8.112 -2.477 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.981 -6.843 -0.514 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.437 -7.522 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.305 -9.421 -2.455 1.00 0.00 H new ATOM 0 HG22 ILE A 45 1.724 -10.451 -2.760 1.00 0.00 H new ATOM 0 HG23 ILE A 45 0.961 -10.440 -1.152 1.00 0.00 H new ATOM 0 HD11 ILE A 45 0.753 -7.675 1.432 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.680 -9.299 0.708 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.248 -8.610 1.191 1.00 0.00 H new ATOM 709 N HIS A 46 4.339 -9.524 -3.206 1.00 0.00 N ATOM 710 CA HIS A 46 5.022 -10.220 -4.291 1.00 0.00 C ATOM 711 C HIS A 46 6.026 -9.300 -4.979 1.00 0.00 C ATOM 712 O HIS A 46 5.672 -8.219 -5.450 1.00 0.00 O ATOM 713 CB HIS A 46 4.008 -10.741 -5.309 1.00 0.00 C ATOM 714 CG HIS A 46 4.448 -11.993 -6.005 1.00 0.00 C ATOM 715 ND1 HIS A 46 4.933 -12.005 -7.296 1.00 0.00 N ATOM 716 CD2 HIS A 46 4.474 -13.278 -5.582 1.00 0.00 C ATOM 717 CE1 HIS A 46 5.237 -13.245 -7.637 1.00 0.00 C ATOM 718 NE2 HIS A 46 4.969 -14.036 -6.615 1.00 0.00 N ATOM 0 H HIS A 46 4.025 -8.582 -3.441 1.00 0.00 H new ATOM 0 HA HIS A 46 5.563 -11.065 -3.865 1.00 0.00 H new ATOM 0 HB2 HIS A 46 3.061 -10.930 -4.803 1.00 0.00 H new ATOM 0 HB3 HIS A 46 3.822 -9.967 -6.054 1.00 0.00 H new ATOM 0 HD2 HIS A 46 4.164 -13.640 -4.613 1.00 0.00 H new ATOM 0 HE1 HIS A 46 5.637 -13.558 -8.590 1.00 0.00 H new ATOM 0 HE2 HIS A 46 5.107 -15.046 -6.595 1.00 0.00 H new ATOM 727 N LYS A 47 7.280 -9.735 -5.032 1.00 0.00 N ATOM 728 CA LYS A 47 8.336 -8.952 -5.663 1.00 0.00 C ATOM 729 C LYS A 47 8.013 -8.684 -7.129 1.00 0.00 C ATOM 730 O LYS A 47 8.559 -7.764 -7.736 1.00 0.00 O ATOM 731 CB LYS A 47 9.677 -9.682 -5.551 1.00 0.00 C ATOM 732 CG LYS A 47 9.797 -10.879 -6.479 1.00 0.00 C ATOM 733 CD LYS A 47 11.242 -11.325 -6.629 1.00 0.00 C ATOM 734 CE LYS A 47 11.720 -12.088 -5.403 1.00 0.00 C ATOM 735 NZ LYS A 47 12.045 -11.174 -4.273 1.00 0.00 N ATOM 0 H LYS A 47 7.590 -10.626 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 47 8.404 -7.996 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.482 -8.981 -5.770 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.815 -10.015 -4.522 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.199 -11.703 -6.090 1.00 0.00 H new ATOM 0 HG3 LYS A 47 9.390 -10.624 -7.458 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.339 -11.956 -7.512 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.878 -10.454 -6.788 1.00 0.00 H new ATOM 0 HE2 LYS A 47 10.949 -12.792 -5.090 1.00 0.00 H new ATOM 0 HE3 LYS A 47 12.602 -12.674 -5.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.931 -11.480 -3.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 12.156 -10.204 -4.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 11.275 -11.199 -3.574 1.00 0.00 H new ATOM 749 N ASN A 48 7.120 -9.492 -7.691 1.00 0.00 N ATOM 750 CA ASN A 48 6.723 -9.340 -9.086 1.00 0.00 C ATOM 751 C ASN A 48 5.293 -8.816 -9.191 1.00 0.00 C ATOM 752 O ASN A 48 4.582 -9.109 -10.154 1.00 0.00 O ATOM 753 CB ASN A 48 6.843 -10.676 -9.821 1.00 0.00 C ATOM 754 CG ASN A 48 8.264 -10.964 -10.268 1.00 0.00 C ATOM 755 OD1 ASN A 48 8.823 -12.015 -9.957 1.00 0.00 O ATOM 756 ND2 ASN A 48 8.853 -10.028 -11.003 1.00 0.00 N ATOM 0 H ASN A 48 6.658 -10.259 -7.202 1.00 0.00 H new ATOM 0 HA ASN A 48 7.392 -8.616 -9.551 1.00 0.00 H new ATOM 0 HB2 ASN A 48 6.500 -11.479 -9.168 1.00 0.00 H new ATOM 0 HB3 ASN A 48 6.186 -10.670 -10.690 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.808 -10.165 -11.334 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.350 -9.172 -11.237 1.00 0.00 H new ATOM 763 N LEU A 49 4.879 -8.040 -8.196 1.00 0.00 N ATOM 764 CA LEU A 49 3.534 -7.475 -8.175 1.00 0.00 C ATOM 765 C LEU A 49 3.519 -6.085 -8.805 1.00 0.00 C ATOM 766 O LEU A 49 2.724 -5.809 -9.704 1.00 0.00 O ATOM 767 CB LEU A 49 3.012 -7.403 -6.740 1.00 0.00 C ATOM 768 CG LEU A 49 1.843 -6.447 -6.498 1.00 0.00 C ATOM 769 CD1 LEU A 49 0.722 -6.712 -7.492 1.00 0.00 C ATOM 770 CD2 LEU A 49 1.333 -6.577 -5.070 1.00 0.00 C ATOM 0 H LEU A 49 5.455 -7.787 -7.393 1.00 0.00 H new ATOM 0 HA LEU A 49 2.883 -8.126 -8.759 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.706 -8.404 -6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.836 -7.110 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 49 2.198 -5.427 -6.644 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.101 -6.022 -7.305 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.093 -6.567 -8.506 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.370 -7.737 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.501 -5.889 -4.917 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.996 -7.599 -4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.136 -6.336 -4.373 1.00 0.00 H new ATOM 782 N ILE A 50 4.403 -5.216 -8.328 1.00 0.00 N ATOM 783 CA ILE A 50 4.493 -3.856 -8.847 1.00 0.00 C ATOM 784 C ILE A 50 4.357 -3.837 -10.365 1.00 0.00 C ATOM 785 O ILE A 50 3.916 -2.847 -10.948 1.00 0.00 O ATOM 786 CB ILE A 50 5.824 -3.190 -8.453 1.00 0.00 C ATOM 787 CG1 ILE A 50 5.776 -1.690 -8.747 1.00 0.00 C ATOM 788 CG2 ILE A 50 6.982 -3.843 -9.192 1.00 0.00 C ATOM 789 CD1 ILE A 50 4.962 -0.903 -7.743 1.00 0.00 C ATOM 0 H ILE A 50 5.067 -5.429 -7.583 1.00 0.00 H new ATOM 0 HA ILE A 50 3.671 -3.294 -8.404 1.00 0.00 H new ATOM 0 HB ILE A 50 5.978 -3.326 -7.383 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.793 -1.299 -8.764 1.00 0.00 H new ATOM 0 HG13 ILE A 50 5.358 -1.536 -9.742 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.916 -3.361 -8.903 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.026 -4.902 -8.937 1.00 0.00 H new ATOM 0 HG23 ILE A 50 6.835 -3.735 -10.267 1.00 0.00 H new ATOM 0 HD11 ILE A 50 4.972 0.153 -8.014 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.935 -1.268 -7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 50 5.392 -1.026 -6.749 1.00 0.00 H new ATOM 801 N LYS A 51 4.739 -4.939 -11.002 1.00 0.00 N ATOM 802 CA LYS A 51 4.658 -5.052 -12.453 1.00 0.00 C ATOM 803 C LYS A 51 3.206 -5.121 -12.913 1.00 0.00 C ATOM 804 O LYS A 51 2.826 -4.485 -13.896 1.00 0.00 O ATOM 805 CB LYS A 51 5.415 -6.293 -12.932 1.00 0.00 C ATOM 806 CG LYS A 51 6.901 -6.258 -12.618 1.00 0.00 C ATOM 807 CD LYS A 51 7.697 -7.109 -13.593 1.00 0.00 C ATOM 808 CE LYS A 51 9.111 -6.577 -13.772 1.00 0.00 C ATOM 809 NZ LYS A 51 9.975 -7.536 -14.515 1.00 0.00 N ATOM 0 H LYS A 51 5.108 -5.767 -10.535 1.00 0.00 H new ATOM 0 HA LYS A 51 5.117 -4.164 -12.887 1.00 0.00 H new ATOM 0 HB2 LYS A 51 4.975 -7.177 -12.470 1.00 0.00 H new ATOM 0 HB3 LYS A 51 5.282 -6.396 -14.009 1.00 0.00 H new ATOM 0 HG2 LYS A 51 7.258 -5.229 -12.657 1.00 0.00 H new ATOM 0 HG3 LYS A 51 7.068 -6.615 -11.602 1.00 0.00 H new ATOM 0 HD2 LYS A 51 7.737 -8.137 -13.232 1.00 0.00 H new ATOM 0 HD3 LYS A 51 7.190 -7.129 -14.558 1.00 0.00 H new ATOM 0 HE2 LYS A 51 9.077 -5.629 -14.308 1.00 0.00 H new ATOM 0 HE3 LYS A 51 9.549 -6.375 -12.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 10.930 -7.137 -14.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 10.029 -8.433 -13.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 9.571 -7.709 -15.457 1.00 0.00 H new ATOM 823 N GLU A 52 2.398 -5.895 -12.195 1.00 0.00 N ATOM 824 CA GLU A 52 0.987 -6.045 -12.531 1.00 0.00 C ATOM 825 C GLU A 52 0.149 -4.964 -11.854 1.00 0.00 C ATOM 826 O GLU A 52 -0.970 -4.675 -12.277 1.00 0.00 O ATOM 827 CB GLU A 52 0.485 -7.430 -12.116 1.00 0.00 C ATOM 828 CG GLU A 52 1.375 -8.567 -12.590 1.00 0.00 C ATOM 829 CD GLU A 52 1.366 -8.724 -14.098 1.00 0.00 C ATOM 830 OE1 GLU A 52 0.279 -8.598 -14.701 1.00 0.00 O ATOM 831 OE2 GLU A 52 2.445 -8.973 -14.676 1.00 0.00 O ATOM 0 H GLU A 52 2.696 -6.427 -11.378 1.00 0.00 H new ATOM 0 HA GLU A 52 0.884 -5.938 -13.611 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.408 -7.469 -11.029 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.520 -7.577 -12.512 1.00 0.00 H new ATOM 0 HG2 GLU A 52 2.396 -8.389 -12.253 1.00 0.00 H new ATOM 0 HG3 GLU A 52 1.045 -9.498 -12.129 1.00 0.00 H new ATOM 838 N PHE A 53 0.698 -4.372 -10.799 1.00 0.00 N ATOM 839 CA PHE A 53 0.002 -3.325 -10.061 1.00 0.00 C ATOM 840 C PHE A 53 -0.392 -2.177 -10.987 1.00 0.00 C ATOM 841 O PHE A 53 0.457 -1.573 -11.642 1.00 0.00 O ATOM 842 CB PHE A 53 0.882 -2.799 -8.926 1.00 0.00 C ATOM 843 CG PHE A 53 0.537 -1.402 -8.497 1.00 0.00 C ATOM 844 CD1 PHE A 53 -0.432 -1.178 -7.532 1.00 0.00 C ATOM 845 CD2 PHE A 53 1.181 -0.311 -9.059 1.00 0.00 C ATOM 846 CE1 PHE A 53 -0.752 0.106 -7.135 1.00 0.00 C ATOM 847 CE2 PHE A 53 0.866 0.976 -8.665 1.00 0.00 C ATOM 848 CZ PHE A 53 -0.103 1.185 -7.703 1.00 0.00 C ATOM 0 H PHE A 53 1.624 -4.600 -10.436 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.905 -3.756 -9.638 1.00 0.00 H new ATOM 0 HB2 PHE A 53 0.792 -3.466 -8.069 1.00 0.00 H new ATOM 0 HB3 PHE A 53 1.924 -2.826 -9.243 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.943 -2.018 -7.085 1.00 0.00 H new ATOM 0 HD2 PHE A 53 1.938 -0.468 -9.813 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.509 0.266 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.377 1.817 -9.109 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.353 2.190 -7.396 1.00 0.00 H new ATOM 858 N LYS A 54 -1.687 -1.883 -11.037 1.00 0.00 N ATOM 859 CA LYS A 54 -2.196 -0.809 -11.881 1.00 0.00 C ATOM 860 C LYS A 54 -2.354 0.482 -11.083 1.00 0.00 C ATOM 861 O LYS A 54 -1.756 1.505 -11.415 1.00 0.00 O ATOM 862 CB LYS A 54 -3.540 -1.208 -12.495 1.00 0.00 C ATOM 863 CG LYS A 54 -3.940 -0.358 -13.689 1.00 0.00 C ATOM 864 CD LYS A 54 -5.327 -0.720 -14.191 1.00 0.00 C ATOM 865 CE LYS A 54 -6.018 0.475 -14.830 1.00 0.00 C ATOM 866 NZ LYS A 54 -7.418 0.160 -15.226 1.00 0.00 N ATOM 0 H LYS A 54 -2.403 -2.374 -10.502 1.00 0.00 H new ATOM 0 HA LYS A 54 -1.475 -0.636 -12.680 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.493 -2.253 -12.803 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.315 -1.135 -11.732 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -3.916 0.696 -13.411 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -3.215 -0.492 -14.492 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -5.252 -1.530 -14.917 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.930 -1.090 -13.362 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.018 1.311 -14.131 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -5.455 0.793 -15.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -7.854 1.000 -15.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.417 -0.621 -15.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -7.962 -0.119 -14.385 1.00 0.00 H new ATOM 880 N TYR A 55 -3.161 0.425 -10.029 1.00 0.00 N ATOM 881 CA TYR A 55 -3.398 1.590 -9.185 1.00 0.00 C ATOM 882 C TYR A 55 -3.803 1.168 -7.776 1.00 0.00 C ATOM 883 O TYR A 55 -4.025 -0.012 -7.509 1.00 0.00 O ATOM 884 CB TYR A 55 -4.485 2.477 -9.795 1.00 0.00 C ATOM 885 CG TYR A 55 -5.802 1.764 -10.002 1.00 0.00 C ATOM 886 CD1 TYR A 55 -6.730 1.667 -8.972 1.00 0.00 C ATOM 887 CD2 TYR A 55 -6.119 1.188 -11.225 1.00 0.00 C ATOM 888 CE1 TYR A 55 -7.935 1.017 -9.155 1.00 0.00 C ATOM 889 CE2 TYR A 55 -7.322 0.537 -11.418 1.00 0.00 C ATOM 890 CZ TYR A 55 -8.227 0.454 -10.380 1.00 0.00 C ATOM 891 OH TYR A 55 -9.425 -0.195 -10.568 1.00 0.00 O ATOM 0 H TYR A 55 -3.662 -0.415 -9.739 1.00 0.00 H new ATOM 0 HA TYR A 55 -2.469 2.156 -9.123 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -4.646 3.338 -9.147 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -4.134 2.860 -10.753 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.505 2.107 -8.012 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -5.413 1.250 -12.040 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -8.645 0.950 -8.344 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -7.553 0.095 -12.376 1.00 0.00 H new ATOM 0 HH TYR A 55 -9.473 -0.533 -11.487 1.00 0.00 H new ATOM 901 N ALA A 56 -3.896 2.143 -6.877 1.00 0.00 N ATOM 902 CA ALA A 56 -4.276 1.875 -5.496 1.00 0.00 C ATOM 903 C ALA A 56 -5.396 2.806 -5.044 1.00 0.00 C ATOM 904 O ALA A 56 -5.396 3.995 -5.365 1.00 0.00 O ATOM 905 CB ALA A 56 -3.069 2.014 -4.580 1.00 0.00 C ATOM 0 H ALA A 56 -3.713 3.126 -7.081 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.645 0.851 -5.439 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -3.367 1.811 -3.551 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.300 1.303 -4.882 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -2.674 3.028 -4.650 1.00 0.00 H new ATOM 911 N LEU A 57 -6.349 2.259 -4.298 1.00 0.00 N ATOM 912 CA LEU A 57 -7.476 3.041 -3.802 1.00 0.00 C ATOM 913 C LEU A 57 -7.331 3.320 -2.309 1.00 0.00 C ATOM 914 O LEU A 57 -7.844 2.576 -1.475 1.00 0.00 O ATOM 915 CB LEU A 57 -8.790 2.304 -4.068 1.00 0.00 C ATOM 916 CG LEU A 57 -9.069 1.936 -5.526 1.00 0.00 C ATOM 917 CD1 LEU A 57 -10.209 0.933 -5.614 1.00 0.00 C ATOM 918 CD2 LEU A 57 -9.388 3.182 -6.339 1.00 0.00 C ATOM 0 H LEU A 57 -6.364 1.277 -4.023 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.486 3.993 -4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -8.797 1.389 -3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -9.611 2.924 -3.707 1.00 0.00 H new ATOM 0 HG LEU A 57 -8.173 1.475 -5.942 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -10.394 0.683 -6.659 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.942 0.029 -5.066 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -11.110 1.367 -5.180 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -9.584 2.901 -7.374 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -10.268 3.672 -5.923 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -8.541 3.867 -6.303 1.00 0.00 H new ATOM 930 N VAL A 58 -6.628 4.400 -1.980 1.00 0.00 N ATOM 931 CA VAL A 58 -6.417 4.780 -0.589 1.00 0.00 C ATOM 932 C VAL A 58 -7.723 5.219 0.065 1.00 0.00 C ATOM 933 O VAL A 58 -8.557 5.869 -0.566 1.00 0.00 O ATOM 934 CB VAL A 58 -5.387 5.919 -0.468 1.00 0.00 C ATOM 935 CG1 VAL A 58 -5.228 6.343 0.984 1.00 0.00 C ATOM 936 CG2 VAL A 58 -4.051 5.492 -1.057 1.00 0.00 C ATOM 0 H VAL A 58 -6.195 5.027 -2.659 1.00 0.00 H new ATOM 0 HA VAL A 58 -6.035 3.898 -0.075 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.750 6.777 -1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -4.496 7.148 1.050 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.187 6.691 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -4.887 5.494 1.576 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.335 6.308 -0.963 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.679 4.619 -0.520 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -4.181 5.242 -2.110 1.00 0.00 H new ATOM 946 N TRP A 59 -7.893 4.861 1.332 1.00 0.00 N ATOM 947 CA TRP A 59 -9.098 5.218 2.072 1.00 0.00 C ATOM 948 C TRP A 59 -8.745 5.865 3.407 1.00 0.00 C ATOM 949 O TRP A 59 -9.373 5.586 4.428 1.00 0.00 O ATOM 950 CB TRP A 59 -9.965 3.980 2.304 1.00 0.00 C ATOM 951 CG TRP A 59 -10.745 3.565 1.094 1.00 0.00 C ATOM 952 CD1 TRP A 59 -11.862 4.169 0.591 1.00 0.00 C ATOM 953 CD2 TRP A 59 -10.467 2.453 0.235 1.00 0.00 C ATOM 954 NE1 TRP A 59 -12.295 3.500 -0.528 1.00 0.00 N ATOM 955 CE2 TRP A 59 -11.456 2.445 -0.768 1.00 0.00 C ATOM 956 CE3 TRP A 59 -9.478 1.466 0.215 1.00 0.00 C ATOM 957 CZ2 TRP A 59 -11.483 1.486 -1.778 1.00 0.00 C ATOM 958 CZ3 TRP A 59 -9.507 0.515 -0.788 1.00 0.00 C ATOM 959 CH2 TRP A 59 -10.503 0.531 -1.774 1.00 0.00 C ATOM 0 H TRP A 59 -7.212 4.324 1.869 1.00 0.00 H new ATOM 0 HA TRP A 59 -9.659 5.939 1.477 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -9.328 3.153 2.618 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -10.657 4.178 3.123 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -12.335 5.044 1.011 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -13.110 3.749 -1.089 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -8.705 1.446 0.969 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -12.251 1.496 -2.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -8.749 -0.254 -0.812 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -10.497 -0.225 -2.545 1.00 0.00 H new ATOM 970 N GLY A 60 -7.737 6.732 3.392 1.00 0.00 N ATOM 971 CA GLY A 60 -7.319 7.404 4.608 1.00 0.00 C ATOM 972 C GLY A 60 -7.217 8.907 4.434 1.00 0.00 C ATOM 973 O GLY A 60 -7.678 9.456 3.432 1.00 0.00 O ATOM 0 H GLY A 60 -7.203 6.981 2.559 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -8.028 7.181 5.405 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.352 7.011 4.923 1.00 0.00 H new ATOM 977 N LEU A 61 -6.612 9.574 5.410 1.00 0.00 N ATOM 978 CA LEU A 61 -6.452 11.023 5.362 1.00 0.00 C ATOM 979 C LEU A 61 -5.481 11.427 4.257 1.00 0.00 C ATOM 980 O LEU A 61 -5.577 12.521 3.702 1.00 0.00 O ATOM 981 CB LEU A 61 -5.955 11.547 6.710 1.00 0.00 C ATOM 982 CG LEU A 61 -6.990 11.596 7.834 1.00 0.00 C ATOM 983 CD1 LEU A 61 -7.229 10.205 8.401 1.00 0.00 C ATOM 984 CD2 LEU A 61 -6.541 12.550 8.931 1.00 0.00 C ATOM 0 H LEU A 61 -6.224 9.135 6.245 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.425 11.464 5.145 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.124 10.922 7.036 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.560 12.552 6.563 1.00 0.00 H new ATOM 0 HG LEU A 61 -7.929 11.964 7.421 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.969 10.260 9.200 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -7.595 9.548 7.612 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -6.295 9.809 8.798 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.290 12.572 9.723 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.590 12.211 9.341 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -6.422 13.551 8.516 1.00 0.00 H new ATOM 996 N SER A 62 -4.547 10.535 3.942 1.00 0.00 N ATOM 997 CA SER A 62 -3.557 10.798 2.904 1.00 0.00 C ATOM 998 C SER A 62 -4.218 11.381 1.658 1.00 0.00 C ATOM 999 O SER A 62 -3.578 12.074 0.868 1.00 0.00 O ATOM 1000 CB SER A 62 -2.809 9.513 2.545 1.00 0.00 C ATOM 1001 OG SER A 62 -3.621 8.651 1.765 1.00 0.00 O ATOM 0 H SER A 62 -4.455 9.624 4.391 1.00 0.00 H new ATOM 0 HA SER A 62 -2.846 11.527 3.292 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.901 9.759 1.995 1.00 0.00 H new ATOM 0 HB3 SER A 62 -2.501 9.001 3.457 1.00 0.00 H new ATOM 0 HG SER A 62 -3.306 8.656 0.837 1.00 0.00 H new ATOM 1007 N VAL A 63 -5.505 11.093 1.489 1.00 0.00 N ATOM 1008 CA VAL A 63 -6.254 11.588 0.341 1.00 0.00 C ATOM 1009 C VAL A 63 -7.483 12.374 0.784 1.00 0.00 C ATOM 1010 O VAL A 63 -8.239 11.931 1.649 1.00 0.00 O ATOM 1011 CB VAL A 63 -6.700 10.435 -0.578 1.00 0.00 C ATOM 1012 CG1 VAL A 63 -5.498 9.801 -1.261 1.00 0.00 C ATOM 1013 CG2 VAL A 63 -7.483 9.397 0.211 1.00 0.00 C ATOM 0 H VAL A 63 -6.050 10.519 2.133 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.585 12.247 -0.213 1.00 0.00 H new ATOM 0 HB VAL A 63 -7.354 10.841 -1.349 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -5.833 8.989 -1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -4.982 10.551 -1.860 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.816 9.408 -0.507 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -7.790 8.590 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.855 8.994 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -8.366 9.863 0.648 1.00 0.00 H new ATOM 1023 N LYS A 64 -7.679 13.543 0.184 1.00 0.00 N ATOM 1024 CA LYS A 64 -8.817 14.392 0.515 1.00 0.00 C ATOM 1025 C LYS A 64 -10.132 13.687 0.197 1.00 0.00 C ATOM 1026 O LYS A 64 -11.015 13.586 1.049 1.00 0.00 O ATOM 1027 CB LYS A 64 -8.735 15.713 -0.255 1.00 0.00 C ATOM 1028 CG LYS A 64 -7.912 16.777 0.450 1.00 0.00 C ATOM 1029 CD LYS A 64 -8.765 17.604 1.399 1.00 0.00 C ATOM 1030 CE LYS A 64 -8.954 16.901 2.734 1.00 0.00 C ATOM 1031 NZ LYS A 64 -9.246 17.864 3.831 1.00 0.00 N ATOM 0 H LYS A 64 -7.064 13.924 -0.535 1.00 0.00 H new ATOM 0 HA LYS A 64 -8.785 14.599 1.585 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.304 15.525 -1.238 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -9.744 16.093 -0.416 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -7.103 16.303 1.006 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -7.451 17.431 -0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.295 18.574 1.561 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.738 17.793 0.945 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -9.770 16.183 2.654 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.055 16.335 2.977 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.368 17.346 4.724 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.456 18.534 3.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.118 18.386 3.612 1.00 0.00 H new ATOM 1045 N HIS A 65 -10.255 13.201 -1.034 1.00 0.00 N ATOM 1046 CA HIS A 65 -11.461 12.503 -1.463 1.00 0.00 C ATOM 1047 C HIS A 65 -11.184 11.018 -1.675 1.00 0.00 C ATOM 1048 O HIS A 65 -10.299 10.645 -2.445 1.00 0.00 O ATOM 1049 CB HIS A 65 -12.002 13.122 -2.753 1.00 0.00 C ATOM 1050 CG HIS A 65 -12.222 14.600 -2.661 1.00 0.00 C ATOM 1051 ND1 HIS A 65 -12.003 15.460 -3.716 1.00 0.00 N ATOM 1052 CD2 HIS A 65 -12.646 15.370 -1.632 1.00 0.00 C ATOM 1053 CE1 HIS A 65 -12.280 16.696 -3.339 1.00 0.00 C ATOM 1054 NE2 HIS A 65 -12.674 16.668 -2.079 1.00 0.00 N ATOM 0 H HIS A 65 -9.534 13.278 -1.752 1.00 0.00 H new ATOM 0 HA HIS A 65 -12.209 12.606 -0.677 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -11.305 12.917 -3.565 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -12.944 12.638 -3.011 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -12.913 15.027 -0.643 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.198 17.578 -3.956 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.954 17.479 -1.527 1.00 0.00 H new ATOM 1063 N ASN A 66 -11.946 10.174 -0.987 1.00 0.00 N ATOM 1064 CA ASN A 66 -11.781 8.729 -1.099 1.00 0.00 C ATOM 1065 C ASN A 66 -13.051 8.077 -1.636 1.00 0.00 C ATOM 1066 O ASN A 66 -14.166 8.537 -1.391 1.00 0.00 O ATOM 1067 CB ASN A 66 -11.422 8.129 0.262 1.00 0.00 C ATOM 1068 CG ASN A 66 -10.689 9.113 1.153 1.00 0.00 C ATOM 1069 OD1 ASN A 66 -11.138 10.242 1.350 1.00 0.00 O ATOM 1070 ND2 ASN A 66 -9.554 8.688 1.696 1.00 0.00 N ATOM 0 H ASN A 66 -12.684 10.466 -0.346 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.969 8.534 -1.800 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.333 7.799 0.762 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -10.801 7.245 0.114 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -9.017 9.306 2.304 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -9.220 7.744 1.505 1.00 0.00 H new ATOM 1077 N PRO A 67 -12.880 6.978 -2.386 1.00 0.00 N ATOM 1078 CA PRO A 67 -11.557 6.421 -2.684 1.00 0.00 C ATOM 1079 C PRO A 67 -10.754 7.310 -3.628 1.00 0.00 C ATOM 1080 O PRO A 67 -11.309 8.180 -4.298 1.00 0.00 O ATOM 1081 CB PRO A 67 -11.878 5.083 -3.354 1.00 0.00 C ATOM 1082 CG PRO A 67 -13.238 5.266 -3.934 1.00 0.00 C ATOM 1083 CD PRO A 67 -13.965 6.195 -3.001 1.00 0.00 C ATOM 0 HA PRO A 67 -10.943 6.328 -1.789 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -11.148 4.842 -4.126 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -11.862 4.265 -2.633 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.181 5.687 -4.938 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -13.758 4.312 -4.018 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -14.668 6.833 -3.536 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -14.538 5.646 -2.254 1.00 0.00 H new ATOM 1091 N GLN A 68 -9.445 7.083 -3.677 1.00 0.00 N ATOM 1092 CA GLN A 68 -8.567 7.864 -4.539 1.00 0.00 C ATOM 1093 C GLN A 68 -7.599 6.958 -5.294 1.00 0.00 C ATOM 1094 O GLN A 68 -6.959 6.087 -4.705 1.00 0.00 O ATOM 1095 CB GLN A 68 -7.786 8.888 -3.714 1.00 0.00 C ATOM 1096 CG GLN A 68 -7.003 9.881 -4.559 1.00 0.00 C ATOM 1097 CD GLN A 68 -6.855 11.231 -3.885 1.00 0.00 C ATOM 1098 OE1 GLN A 68 -7.823 11.791 -3.370 1.00 0.00 O ATOM 1099 NE2 GLN A 68 -5.638 11.762 -3.884 1.00 0.00 N ATOM 0 H GLN A 68 -8.970 6.365 -3.130 1.00 0.00 H new ATOM 0 HA GLN A 68 -9.187 8.390 -5.265 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.481 9.435 -3.077 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -7.096 8.361 -3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -6.014 9.473 -4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -7.504 10.011 -5.518 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -4.864 11.263 -4.322 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -5.477 12.668 -3.445 1.00 0.00 H new ATOM 1108 N LYS A 69 -7.498 7.169 -6.602 1.00 0.00 N ATOM 1109 CA LYS A 69 -6.608 6.373 -7.439 1.00 0.00 C ATOM 1110 C LYS A 69 -5.183 6.915 -7.389 1.00 0.00 C ATOM 1111 O LYS A 69 -4.886 7.962 -7.965 1.00 0.00 O ATOM 1112 CB LYS A 69 -7.110 6.360 -8.885 1.00 0.00 C ATOM 1113 CG LYS A 69 -6.559 5.211 -9.710 1.00 0.00 C ATOM 1114 CD LYS A 69 -7.502 4.832 -10.839 1.00 0.00 C ATOM 1115 CE LYS A 69 -8.717 4.077 -10.321 1.00 0.00 C ATOM 1116 NZ LYS A 69 -9.892 4.232 -11.222 1.00 0.00 N ATOM 0 H LYS A 69 -8.022 7.885 -7.106 1.00 0.00 H new ATOM 0 HA LYS A 69 -6.603 5.354 -7.053 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -8.199 6.305 -8.882 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -6.840 7.302 -9.363 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -5.590 5.491 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -6.394 4.347 -9.067 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -7.827 5.732 -11.361 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -6.972 4.216 -11.566 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -8.472 3.019 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -8.973 4.440 -9.325 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -10.699 3.703 -10.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -10.142 5.239 -11.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -9.657 3.863 -12.165 1.00 0.00 H new ATOM 1130 N VAL A 70 -4.305 6.196 -6.697 1.00 0.00 N ATOM 1131 CA VAL A 70 -2.911 6.605 -6.574 1.00 0.00 C ATOM 1132 C VAL A 70 -1.997 5.692 -7.384 1.00 0.00 C ATOM 1133 O VAL A 70 -2.391 4.596 -7.780 1.00 0.00 O ATOM 1134 CB VAL A 70 -2.452 6.598 -5.103 1.00 0.00 C ATOM 1135 CG1 VAL A 70 -3.370 7.463 -4.253 1.00 0.00 C ATOM 1136 CG2 VAL A 70 -2.401 5.175 -4.568 1.00 0.00 C ATOM 0 H VAL A 70 -4.534 5.328 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.843 7.621 -6.964 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.447 7.017 -5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -3.030 7.446 -3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.351 8.488 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.388 7.076 -4.307 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.075 5.189 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -3.392 4.727 -4.632 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.699 4.588 -5.161 1.00 0.00 H new ATOM 1146 N GLY A 71 -0.774 6.152 -7.626 1.00 0.00 N ATOM 1147 CA GLY A 71 0.178 5.364 -8.388 1.00 0.00 C ATOM 1148 C GLY A 71 1.063 4.510 -7.503 1.00 0.00 C ATOM 1149 O GLY A 71 0.609 3.968 -6.494 1.00 0.00 O ATOM 0 H GLY A 71 -0.425 7.056 -7.308 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -0.361 4.722 -9.085 1.00 0.00 H new ATOM 0 HA3 GLY A 71 0.801 6.030 -8.985 1.00 0.00 H new ATOM 1153 N LYS A 72 2.331 4.386 -7.880 1.00 0.00 N ATOM 1154 CA LYS A 72 3.284 3.591 -7.115 1.00 0.00 C ATOM 1155 C LYS A 72 4.209 4.487 -6.299 1.00 0.00 C ATOM 1156 O LYS A 72 4.868 4.029 -5.365 1.00 0.00 O ATOM 1157 CB LYS A 72 4.109 2.705 -8.051 1.00 0.00 C ATOM 1158 CG LYS A 72 4.890 3.486 -9.095 1.00 0.00 C ATOM 1159 CD LYS A 72 6.138 2.738 -9.532 1.00 0.00 C ATOM 1160 CE LYS A 72 6.729 3.333 -10.801 1.00 0.00 C ATOM 1161 NZ LYS A 72 7.405 4.634 -10.541 1.00 0.00 N ATOM 0 H LYS A 72 2.723 4.827 -8.712 1.00 0.00 H new ATOM 0 HA LYS A 72 2.722 2.958 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.805 2.112 -7.457 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.443 2.005 -8.556 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.255 3.673 -9.961 1.00 0.00 H new ATOM 0 HG3 LYS A 72 5.171 4.458 -8.689 1.00 0.00 H new ATOM 0 HD2 LYS A 72 6.880 2.769 -8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 72 5.895 1.689 -9.700 1.00 0.00 H new ATOM 0 HE2 LYS A 72 7.444 2.632 -11.232 1.00 0.00 H new ATOM 0 HE3 LYS A 72 5.938 3.475 -11.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.794 5.007 -11.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.717 5.311 -10.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 8.176 4.494 -9.857 1.00 0.00 H new ATOM 1175 N ASP A 73 4.252 5.766 -6.655 1.00 0.00 N ATOM 1176 CA ASP A 73 5.094 6.728 -5.954 1.00 0.00 C ATOM 1177 C ASP A 73 4.334 7.380 -4.804 1.00 0.00 C ATOM 1178 O ASP A 73 4.896 8.166 -4.041 1.00 0.00 O ATOM 1179 CB ASP A 73 5.596 7.800 -6.923 1.00 0.00 C ATOM 1180 CG ASP A 73 6.833 8.510 -6.410 1.00 0.00 C ATOM 1181 OD1 ASP A 73 6.980 8.632 -5.176 1.00 0.00 O ATOM 1182 OD2 ASP A 73 7.656 8.944 -7.243 1.00 0.00 O ATOM 0 H ASP A 73 3.713 6.161 -7.426 1.00 0.00 H new ATOM 0 HA ASP A 73 5.949 6.192 -5.542 1.00 0.00 H new ATOM 0 HB2 ASP A 73 5.818 7.340 -7.886 1.00 0.00 H new ATOM 0 HB3 ASP A 73 4.805 8.531 -7.093 1.00 0.00 H new ATOM 1187 N HIS A 74 3.052 7.048 -4.685 1.00 0.00 N ATOM 1188 CA HIS A 74 2.214 7.601 -3.628 1.00 0.00 C ATOM 1189 C HIS A 74 2.646 7.077 -2.262 1.00 0.00 C ATOM 1190 O HIS A 74 2.750 5.868 -2.053 1.00 0.00 O ATOM 1191 CB HIS A 74 0.745 7.256 -3.879 1.00 0.00 C ATOM 1192 CG HIS A 74 -0.135 7.481 -2.688 1.00 0.00 C ATOM 1193 ND1 HIS A 74 -0.840 8.648 -2.483 1.00 0.00 N ATOM 1194 CD2 HIS A 74 -0.423 6.680 -1.636 1.00 0.00 C ATOM 1195 CE1 HIS A 74 -1.523 8.556 -1.356 1.00 0.00 C ATOM 1196 NE2 HIS A 74 -1.288 7.370 -0.823 1.00 0.00 N ATOM 0 H HIS A 74 2.571 6.399 -5.308 1.00 0.00 H new ATOM 0 HA HIS A 74 2.331 8.685 -3.635 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.377 7.856 -4.711 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.672 6.212 -4.182 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -0.835 9.457 -3.105 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -0.043 5.683 -1.467 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -2.164 9.320 -0.941 1.00 0.00 H new ATOM 1205 N THR A 75 2.897 7.995 -1.333 1.00 0.00 N ATOM 1206 CA THR A 75 3.319 7.626 0.012 1.00 0.00 C ATOM 1207 C THR A 75 2.146 7.102 0.832 1.00 0.00 C ATOM 1208 O THR A 75 1.060 7.683 0.823 1.00 0.00 O ATOM 1209 CB THR A 75 3.954 8.820 0.749 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.106 9.281 0.035 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.350 8.433 2.166 1.00 0.00 C ATOM 0 H THR A 75 2.815 9.000 -1.488 1.00 0.00 H new ATOM 0 HA THR A 75 4.064 6.838 -0.096 1.00 0.00 H new ATOM 0 HB THR A 75 3.216 9.620 0.801 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.502 10.041 0.510 1.00 0.00 H new ATOM 0 HG21 THR A 75 4.796 9.292 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 75 3.466 8.112 2.716 1.00 0.00 H new ATOM 0 HG23 THR A 75 5.072 7.617 2.132 1.00 0.00 H new ATOM 1219 N LEU A 76 2.371 6.001 1.541 1.00 0.00 N ATOM 1220 CA LEU A 76 1.332 5.398 2.369 1.00 0.00 C ATOM 1221 C LEU A 76 1.315 6.021 3.761 1.00 0.00 C ATOM 1222 O LEU A 76 2.354 6.425 4.283 1.00 0.00 O ATOM 1223 CB LEU A 76 1.550 3.888 2.476 1.00 0.00 C ATOM 1224 CG LEU A 76 1.305 3.082 1.200 1.00 0.00 C ATOM 1225 CD1 LEU A 76 2.092 1.781 1.231 1.00 0.00 C ATOM 1226 CD2 LEU A 76 -0.180 2.805 1.021 1.00 0.00 C ATOM 0 H LEU A 76 3.264 5.508 1.559 1.00 0.00 H new ATOM 0 HA LEU A 76 0.369 5.587 1.895 1.00 0.00 H new ATOM 0 HB2 LEU A 76 2.575 3.711 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.896 3.501 3.257 1.00 0.00 H new ATOM 0 HG LEU A 76 1.649 3.671 0.350 1.00 0.00 H new ATOM 0 HD11 LEU A 76 1.905 1.221 0.315 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.156 2.002 1.311 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.779 1.187 2.090 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -0.335 2.230 0.108 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.550 2.237 1.875 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.720 3.749 0.952 1.00 0.00 H new ATOM 1238 N GLU A 77 0.129 6.094 4.357 1.00 0.00 N ATOM 1239 CA GLU A 77 -0.022 6.667 5.689 1.00 0.00 C ATOM 1240 C GLU A 77 -0.517 5.617 6.680 1.00 0.00 C ATOM 1241 O GLU A 77 -1.243 4.694 6.311 1.00 0.00 O ATOM 1242 CB GLU A 77 -0.994 7.848 5.654 1.00 0.00 C ATOM 1243 CG GLU A 77 -0.388 9.118 5.081 1.00 0.00 C ATOM 1244 CD GLU A 77 0.473 9.858 6.086 1.00 0.00 C ATOM 1245 OE1 GLU A 77 0.036 10.008 7.247 1.00 0.00 O ATOM 1246 OE2 GLU A 77 1.585 10.288 5.712 1.00 0.00 O ATOM 0 H GLU A 77 -0.741 5.764 3.939 1.00 0.00 H new ATOM 0 HA GLU A 77 0.956 7.020 6.017 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -1.866 7.572 5.061 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -1.346 8.048 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 77 0.214 8.867 4.208 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.187 9.775 4.739 1.00 0.00 H new ATOM 1253 N ASP A 78 -0.117 5.765 7.938 1.00 0.00 N ATOM 1254 CA ASP A 78 -0.520 4.830 8.983 1.00 0.00 C ATOM 1255 C ASP A 78 -2.040 4.736 9.072 1.00 0.00 C ATOM 1256 O ASP A 78 -2.742 5.734 8.914 1.00 0.00 O ATOM 1257 CB ASP A 78 0.057 5.262 10.332 1.00 0.00 C ATOM 1258 CG ASP A 78 -0.081 6.753 10.571 1.00 0.00 C ATOM 1259 OD1 ASP A 78 0.704 7.523 9.981 1.00 0.00 O ATOM 1260 OD2 ASP A 78 -0.975 7.148 11.349 1.00 0.00 O ATOM 0 H ASP A 78 0.486 6.523 8.259 1.00 0.00 H new ATOM 0 HA ASP A 78 -0.128 3.846 8.727 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.450 4.721 11.131 1.00 0.00 H new ATOM 0 HB3 ASP A 78 1.110 4.986 10.378 1.00 0.00 H new ATOM 1265 N GLU A 79 -2.539 3.531 9.326 1.00 0.00 N ATOM 1266 CA GLU A 79 -3.976 3.307 9.434 1.00 0.00 C ATOM 1267 C GLU A 79 -4.687 3.704 8.143 1.00 0.00 C ATOM 1268 O GLU A 79 -5.636 4.487 8.160 1.00 0.00 O ATOM 1269 CB GLU A 79 -4.551 4.100 10.610 1.00 0.00 C ATOM 1270 CG GLU A 79 -4.055 3.624 11.965 1.00 0.00 C ATOM 1271 CD GLU A 79 -4.426 4.572 13.088 1.00 0.00 C ATOM 1272 OE1 GLU A 79 -5.526 4.416 13.659 1.00 0.00 O ATOM 1273 OE2 GLU A 79 -3.616 5.472 13.396 1.00 0.00 O ATOM 0 H GLU A 79 -1.970 2.695 9.461 1.00 0.00 H new ATOM 0 HA GLU A 79 -4.140 2.243 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.295 5.152 10.488 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.639 4.032 10.586 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.471 2.638 12.174 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.971 3.512 11.932 1.00 0.00 H new ATOM 1280 N ASP A 80 -4.220 3.158 7.026 1.00 0.00 N ATOM 1281 CA ASP A 80 -4.810 3.453 5.726 1.00 0.00 C ATOM 1282 C ASP A 80 -5.048 2.172 4.933 1.00 0.00 C ATOM 1283 O ASP A 80 -4.204 1.276 4.913 1.00 0.00 O ATOM 1284 CB ASP A 80 -3.904 4.397 4.933 1.00 0.00 C ATOM 1285 CG ASP A 80 -3.920 5.810 5.481 1.00 0.00 C ATOM 1286 OD1 ASP A 80 -3.818 5.969 6.716 1.00 0.00 O ATOM 1287 OD2 ASP A 80 -4.034 6.758 4.676 1.00 0.00 O ATOM 0 H ASP A 80 -3.434 2.508 6.995 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.771 3.939 5.893 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -2.883 4.015 4.950 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -4.222 4.411 3.891 1.00 0.00 H new ATOM 1292 N VAL A 81 -6.204 2.091 4.282 1.00 0.00 N ATOM 1293 CA VAL A 81 -6.554 0.919 3.487 1.00 0.00 C ATOM 1294 C VAL A 81 -6.230 1.138 2.014 1.00 0.00 C ATOM 1295 O VAL A 81 -6.656 2.125 1.414 1.00 0.00 O ATOM 1296 CB VAL A 81 -8.048 0.572 3.627 1.00 0.00 C ATOM 1297 CG1 VAL A 81 -8.402 -0.625 2.757 1.00 0.00 C ATOM 1298 CG2 VAL A 81 -8.398 0.304 5.083 1.00 0.00 C ATOM 0 H VAL A 81 -6.914 2.823 4.289 1.00 0.00 H new ATOM 0 HA VAL A 81 -5.959 0.089 3.867 1.00 0.00 H new ATOM 0 HB VAL A 81 -8.635 1.425 3.286 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -9.461 -0.856 2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -8.190 -0.392 1.714 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -7.809 -1.486 3.064 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -9.457 0.060 5.164 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -7.804 -0.532 5.452 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -8.184 1.192 5.678 1.00 0.00 H new ATOM 1308 N ILE A 82 -5.475 0.210 1.436 1.00 0.00 N ATOM 1309 CA ILE A 82 -5.095 0.300 0.031 1.00 0.00 C ATOM 1310 C ILE A 82 -5.416 -0.994 -0.709 1.00 0.00 C ATOM 1311 O ILE A 82 -4.986 -2.074 -0.305 1.00 0.00 O ATOM 1312 CB ILE A 82 -3.595 0.612 -0.128 1.00 0.00 C ATOM 1313 CG1 ILE A 82 -3.216 0.660 -1.609 1.00 0.00 C ATOM 1314 CG2 ILE A 82 -2.758 -0.426 0.605 1.00 0.00 C ATOM 1315 CD1 ILE A 82 -1.748 0.933 -1.849 1.00 0.00 C ATOM 0 H ILE A 82 -5.114 -0.613 1.919 1.00 0.00 H new ATOM 0 HA ILE A 82 -5.674 1.116 -0.401 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.394 1.589 0.311 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -3.481 -0.289 -2.074 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -3.806 1.433 -2.102 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.700 -0.192 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.012 -0.416 1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.961 -1.414 0.192 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -1.552 0.953 -2.921 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -1.481 1.896 -1.413 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.151 0.147 -1.386 1.00 0.00 H new ATOM 1327 N GLN A 83 -6.171 -0.875 -1.797 1.00 0.00 N ATOM 1328 CA GLN A 83 -6.548 -2.036 -2.594 1.00 0.00 C ATOM 1329 C GLN A 83 -5.643 -2.176 -3.814 1.00 0.00 C ATOM 1330 O GLN A 83 -5.856 -1.522 -4.835 1.00 0.00 O ATOM 1331 CB GLN A 83 -8.007 -1.925 -3.038 1.00 0.00 C ATOM 1332 CG GLN A 83 -8.520 -3.160 -3.760 1.00 0.00 C ATOM 1333 CD GLN A 83 -9.652 -2.848 -4.719 1.00 0.00 C ATOM 1334 OE1 GLN A 83 -10.127 -1.715 -4.788 1.00 0.00 O ATOM 1335 NE2 GLN A 83 -10.090 -3.855 -5.466 1.00 0.00 N ATOM 0 H GLN A 83 -6.533 0.012 -2.146 1.00 0.00 H new ATOM 0 HA GLN A 83 -6.431 -2.924 -1.973 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -8.631 -1.741 -2.163 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -8.114 -1.061 -3.694 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -7.700 -3.621 -4.310 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -8.862 -3.890 -3.026 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -9.667 -4.779 -5.376 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -10.850 -3.705 -6.130 1.00 0.00 H new ATOM 1344 N ILE A 84 -4.632 -3.031 -3.700 1.00 0.00 N ATOM 1345 CA ILE A 84 -3.695 -3.256 -4.794 1.00 0.00 C ATOM 1346 C ILE A 84 -4.357 -4.018 -5.936 1.00 0.00 C ATOM 1347 O ILE A 84 -4.576 -5.227 -5.846 1.00 0.00 O ATOM 1348 CB ILE A 84 -2.455 -4.037 -4.321 1.00 0.00 C ATOM 1349 CG1 ILE A 84 -1.608 -3.173 -3.385 1.00 0.00 C ATOM 1350 CG2 ILE A 84 -1.632 -4.497 -5.515 1.00 0.00 C ATOM 1351 CD1 ILE A 84 -0.876 -2.054 -4.092 1.00 0.00 C ATOM 0 H ILE A 84 -4.441 -3.579 -2.861 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.382 -2.274 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 84 -2.786 -4.918 -3.771 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -2.252 -2.746 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -0.882 -3.807 -2.877 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -0.759 -5.048 -5.165 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -2.239 -5.144 -6.148 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -1.307 -3.629 -6.089 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -0.296 -1.483 -3.367 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -0.206 -2.474 -4.842 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -1.598 -1.397 -4.577 1.00 0.00 H new ATOM 1363 N VAL A 85 -4.673 -3.305 -7.013 1.00 0.00 N ATOM 1364 CA VAL A 85 -5.307 -3.914 -8.175 1.00 0.00 C ATOM 1365 C VAL A 85 -4.283 -4.225 -9.260 1.00 0.00 C ATOM 1366 O VAL A 85 -3.301 -3.501 -9.430 1.00 0.00 O ATOM 1367 CB VAL A 85 -6.399 -3.000 -8.763 1.00 0.00 C ATOM 1368 CG1 VAL A 85 -7.273 -2.432 -7.655 1.00 0.00 C ATOM 1369 CG2 VAL A 85 -5.773 -1.883 -9.584 1.00 0.00 C ATOM 0 H VAL A 85 -4.500 -2.304 -7.104 1.00 0.00 H new ATOM 0 HA VAL A 85 -5.765 -4.843 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.030 -3.595 -9.423 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.039 -1.789 -8.089 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.750 -3.249 -7.113 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.658 -1.851 -6.968 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -6.559 -1.247 -9.992 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.118 -1.288 -8.948 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -5.194 -2.313 -10.401 1.00 0.00 H new ATOM 1379 N LYS A 86 -4.517 -5.308 -9.994 1.00 0.00 N ATOM 1380 CA LYS A 86 -3.616 -5.716 -11.066 1.00 0.00 C ATOM 1381 C LYS A 86 -4.279 -5.546 -12.429 1.00 0.00 C ATOM 1382 O LYS A 86 -5.377 -6.050 -12.664 1.00 0.00 O ATOM 1383 CB LYS A 86 -3.189 -7.173 -10.873 1.00 0.00 C ATOM 1384 CG LYS A 86 -2.486 -7.431 -9.551 1.00 0.00 C ATOM 1385 CD LYS A 86 -2.623 -8.882 -9.122 1.00 0.00 C ATOM 1386 CE LYS A 86 -2.089 -9.099 -7.714 1.00 0.00 C ATOM 1387 NZ LYS A 86 -0.638 -9.435 -7.717 1.00 0.00 N ATOM 0 H LYS A 86 -5.323 -5.919 -9.866 1.00 0.00 H new ATOM 0 HA LYS A 86 -2.734 -5.077 -11.029 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -4.069 -7.812 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.526 -7.460 -11.689 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -1.430 -7.176 -9.643 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -2.905 -6.782 -8.782 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.671 -9.178 -9.164 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -2.083 -9.522 -9.820 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -2.252 -8.199 -7.121 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.647 -9.903 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -0.211 -9.136 -6.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -0.520 -10.462 -7.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -0.169 -8.942 -8.504 1.00 0.00 H new ATOM 1401 N LYS A 87 -3.605 -4.833 -13.325 1.00 0.00 N ATOM 1402 CA LYS A 87 -4.127 -4.598 -14.666 1.00 0.00 C ATOM 1403 C LYS A 87 -4.156 -5.892 -15.473 1.00 0.00 C ATOM 1404 O LYS A 87 -3.751 -6.947 -14.986 1.00 0.00 O ATOM 1405 CB LYS A 87 -3.276 -3.552 -15.390 1.00 0.00 C ATOM 1406 CG LYS A 87 -1.811 -3.933 -15.505 1.00 0.00 C ATOM 1407 CD LYS A 87 -0.922 -2.705 -15.613 1.00 0.00 C ATOM 1408 CE LYS A 87 -1.071 -2.027 -16.966 1.00 0.00 C ATOM 1409 NZ LYS A 87 -0.239 -2.685 -18.011 1.00 0.00 N ATOM 0 H LYS A 87 -2.695 -4.408 -13.146 1.00 0.00 H new ATOM 0 HA LYS A 87 -5.147 -4.226 -14.572 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.681 -3.395 -16.390 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -3.355 -2.602 -14.861 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -1.518 -4.520 -14.635 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.666 -4.566 -16.380 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.176 -2.000 -14.822 1.00 0.00 H new ATOM 0 HD3 LYS A 87 0.118 -2.993 -15.462 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -2.118 -2.048 -17.269 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -0.784 -0.979 -16.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -0.369 -2.193 -18.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 0.763 -2.643 -17.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -0.529 -3.679 -18.111 1.00 0.00 H new