USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 674 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 70 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 29 CYS SG : rot 58:sc= 0.0454! USER MOD Set 2.2: A 81 TYR OH : rot 157:sc= 0.261 USER MOD Set 3.1: A 23 THR OG1 : rot -50:sc= -1.39! USER MOD Set 3.2: A 31 MET CE :methyl -117:sc= -0.183 (180deg=-1.8!) USER MOD Set 4.1: A 5 SER OG : rot 143:sc= 0.418 USER MOD Set 4.2: A 18 GLN : amide:sc= 0.892 K(o=1.3,f=0.33) USER MOD Single : A 7 LYS NZ :NH3+ 168:sc= -0.0437 (180deg=-0.222) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 ASN : amide:sc= -0.0662 K(o=-0.066,f=-0.62) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 MET CE :methyl -139:sc= -0.208 (180deg=-0.889) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -160:sc= -0.0776 (180deg=-0.532) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -1.46! K(o=-1.5!,f=-0.074) USER MOD Single : A 52 SER OG : rot -59:sc= -2.36! USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 TYR OH : rot 66:sc= 0.83 USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.87! C(o=-2.9!,f=-4.3!) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 MET CE :methyl -153:sc= -3.29! (180deg=-5.08!) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD ----------------------------------------------------------------- ATOM 106 N VAL A 2 13.810 -8.498 1.051 1.00 1.00 N ATOM 107 CA VAL A 2 13.101 -8.040 2.245 1.00 1.00 C ATOM 108 C VAL A 2 12.496 -6.657 1.993 1.00 1.00 C ATOM 109 O VAL A 2 12.762 -5.690 2.708 1.00 1.00 O ATOM 110 CB VAL A 2 14.023 -8.013 3.494 1.00 1.00 C ATOM 111 CG1 VAL A 2 13.225 -7.753 4.766 1.00 1.00 C ATOM 112 CG2 VAL A 2 14.794 -9.318 3.618 1.00 1.00 C ATOM 0 HA VAL A 2 12.301 -8.751 2.452 1.00 1.00 H new ATOM 0 HB VAL A 2 14.732 -7.195 3.364 1.00 1.00 H new ATOM 0 HG11 VAL A 2 13.899 -7.740 5.622 1.00 1.00 H new ATOM 0 HG12 VAL A 2 12.719 -6.791 4.688 1.00 1.00 H new ATOM 0 HG13 VAL A 2 12.485 -8.542 4.899 1.00 1.00 H new ATOM 0 HG21 VAL A 2 15.435 -9.280 4.499 1.00 1.00 H new ATOM 0 HG22 VAL A 2 14.093 -10.147 3.715 1.00 1.00 H new ATOM 0 HG23 VAL A 2 15.408 -9.464 2.729 1.00 1.00 H new ATOM 122 N ALA A 3 11.691 -6.576 0.944 1.00 1.00 N ATOM 123 CA ALA A 3 11.062 -5.326 0.546 1.00 1.00 C ATOM 124 C ALA A 3 9.801 -5.606 -0.255 1.00 1.00 C ATOM 125 O ALA A 3 9.866 -6.071 -1.395 1.00 1.00 O ATOM 126 CB ALA A 3 12.029 -4.473 -0.265 1.00 1.00 C ATOM 0 H ALA A 3 11.457 -7.370 0.348 1.00 1.00 H new ATOM 0 HA ALA A 3 10.790 -4.773 1.445 1.00 1.00 H new ATOM 0 HB1 ALA A 3 11.540 -3.543 -0.553 1.00 1.00 H new ATOM 0 HB2 ALA A 3 12.909 -4.249 0.337 1.00 1.00 H new ATOM 0 HB3 ALA A 3 12.331 -5.017 -1.160 1.00 1.00 H new ATOM 132 N LEU A 4 8.657 -5.317 0.339 1.00 1.00 N ATOM 133 CA LEU A 4 7.378 -5.628 -0.279 1.00 1.00 C ATOM 134 C LEU A 4 7.062 -4.628 -1.381 1.00 1.00 C ATOM 135 O LEU A 4 6.743 -3.470 -1.115 1.00 1.00 O ATOM 136 CB LEU A 4 6.266 -5.638 0.772 1.00 1.00 C ATOM 137 CG LEU A 4 6.468 -6.634 1.917 1.00 1.00 C ATOM 138 CD1 LEU A 4 5.274 -6.620 2.854 1.00 1.00 C ATOM 139 CD2 LEU A 4 6.700 -8.035 1.376 1.00 1.00 C ATOM 0 H LEU A 4 8.586 -4.866 1.251 1.00 1.00 H new ATOM 0 HA LEU A 4 7.441 -6.621 -0.724 1.00 1.00 H new ATOM 0 HB2 LEU A 4 6.175 -4.637 1.193 1.00 1.00 H new ATOM 0 HB3 LEU A 4 5.321 -5.863 0.277 1.00 1.00 H new ATOM 0 HG LEU A 4 7.352 -6.331 2.479 1.00 1.00 H new ATOM 0 HD11 LEU A 4 5.436 -7.334 3.661 1.00 1.00 H new ATOM 0 HD12 LEU A 4 5.152 -5.621 3.273 1.00 1.00 H new ATOM 0 HD13 LEU A 4 4.375 -6.895 2.302 1.00 1.00 H new ATOM 0 HD21 LEU A 4 6.841 -8.727 2.206 1.00 1.00 H new ATOM 0 HD22 LEU A 4 5.836 -8.345 0.788 1.00 1.00 H new ATOM 0 HD23 LEU A 4 7.589 -8.039 0.745 1.00 1.00 H new ATOM 151 N SER A 5 7.172 -5.083 -2.617 1.00 1.00 N ATOM 152 CA SER A 5 6.965 -4.232 -3.774 1.00 1.00 C ATOM 153 C SER A 5 5.593 -4.493 -4.389 1.00 1.00 C ATOM 154 O SER A 5 5.385 -5.506 -5.053 1.00 1.00 O ATOM 155 CB SER A 5 8.065 -4.499 -4.798 1.00 1.00 C ATOM 156 OG SER A 5 9.341 -4.538 -4.169 1.00 1.00 O ATOM 0 H SER A 5 7.406 -6.049 -2.846 1.00 1.00 H new ATOM 0 HA SER A 5 7.005 -3.188 -3.464 1.00 1.00 H new ATOM 0 HB2 SER A 5 7.875 -5.445 -5.304 1.00 1.00 H new ATOM 0 HB3 SER A 5 8.054 -3.721 -5.561 1.00 1.00 H new ATOM 0 HG SER A 5 9.895 -5.225 -4.595 1.00 1.00 H new ATOM 162 N LEU A 6 4.656 -3.590 -4.159 1.00 1.00 N ATOM 163 CA LEU A 6 3.298 -3.779 -4.646 1.00 1.00 C ATOM 164 C LEU A 6 2.908 -2.699 -5.639 1.00 1.00 C ATOM 165 O LEU A 6 3.440 -1.588 -5.616 1.00 1.00 O ATOM 166 CB LEU A 6 2.288 -3.797 -3.493 1.00 1.00 C ATOM 167 CG LEU A 6 2.279 -5.055 -2.640 1.00 1.00 C ATOM 168 CD1 LEU A 6 3.446 -5.067 -1.666 1.00 1.00 C ATOM 169 CD2 LEU A 6 0.959 -5.181 -1.903 1.00 1.00 C ATOM 0 H LEU A 6 4.807 -2.724 -3.642 1.00 1.00 H new ATOM 0 HA LEU A 6 3.278 -4.745 -5.150 1.00 1.00 H new ATOM 0 HB2 LEU A 6 2.489 -2.943 -2.846 1.00 1.00 H new ATOM 0 HB3 LEU A 6 1.290 -3.655 -3.907 1.00 1.00 H new ATOM 0 HG LEU A 6 2.392 -5.915 -3.300 1.00 1.00 H new ATOM 0 HD11 LEU A 6 3.413 -5.979 -1.070 1.00 1.00 H new ATOM 0 HD12 LEU A 6 4.383 -5.030 -2.221 1.00 1.00 H new ATOM 0 HD13 LEU A 6 3.380 -4.201 -1.008 1.00 1.00 H new ATOM 0 HD21 LEU A 6 0.966 -6.086 -1.296 1.00 1.00 H new ATOM 0 HD22 LEU A 6 0.818 -4.313 -1.259 1.00 1.00 H new ATOM 0 HD23 LEU A 6 0.143 -5.234 -2.624 1.00 1.00 H new ATOM 181 N LYS A 7 1.973 -3.044 -6.509 1.00 1.00 N ATOM 182 CA LYS A 7 1.430 -2.109 -7.473 1.00 1.00 C ATOM 183 C LYS A 7 0.327 -1.298 -6.814 1.00 1.00 C ATOM 184 O LYS A 7 -0.768 -1.806 -6.567 1.00 1.00 O ATOM 185 CB LYS A 7 0.878 -2.857 -8.691 1.00 1.00 C ATOM 186 CG LYS A 7 1.893 -3.767 -9.366 1.00 1.00 C ATOM 187 CD LYS A 7 3.038 -2.978 -9.977 1.00 1.00 C ATOM 188 CE LYS A 7 4.077 -3.897 -10.603 1.00 1.00 C ATOM 189 NZ LYS A 7 3.491 -4.780 -11.644 1.00 1.00 N ATOM 0 H LYS A 7 1.571 -3.980 -6.565 1.00 1.00 H new ATOM 0 HA LYS A 7 2.222 -1.441 -7.812 1.00 1.00 H new ATOM 0 HB2 LYS A 7 0.020 -3.453 -8.381 1.00 1.00 H new ATOM 0 HB3 LYS A 7 0.516 -2.130 -9.418 1.00 1.00 H new ATOM 0 HG2 LYS A 7 2.287 -4.475 -8.637 1.00 1.00 H new ATOM 0 HG3 LYS A 7 1.398 -4.351 -10.142 1.00 1.00 H new ATOM 0 HD2 LYS A 7 2.649 -2.298 -10.735 1.00 1.00 H new ATOM 0 HD3 LYS A 7 3.509 -2.364 -9.209 1.00 1.00 H new ATOM 0 HE2 LYS A 7 4.872 -3.296 -11.044 1.00 1.00 H new ATOM 0 HE3 LYS A 7 4.534 -4.509 -9.825 1.00 1.00 H new ATOM 0 HZ1 LYS A 7 4.255 -5.238 -12.181 1.00 1.00 H new ATOM 0 HZ2 LYS A 7 2.902 -5.507 -11.191 1.00 1.00 H new ATOM 0 HZ3 LYS A 7 2.905 -4.213 -12.290 1.00 1.00 H new ATOM 203 N ILE A 8 0.626 -0.054 -6.496 1.00 1.00 N ATOM 204 CA ILE A 8 -0.333 0.802 -5.827 1.00 1.00 C ATOM 205 C ILE A 8 -1.081 1.649 -6.842 1.00 1.00 C ATOM 206 O ILE A 8 -0.495 2.503 -7.507 1.00 1.00 O ATOM 207 CB ILE A 8 0.346 1.723 -4.791 1.00 1.00 C ATOM 208 CG1 ILE A 8 1.168 0.899 -3.792 1.00 1.00 C ATOM 209 CG2 ILE A 8 -0.698 2.558 -4.061 1.00 1.00 C ATOM 210 CD1 ILE A 8 0.352 -0.114 -3.014 1.00 1.00 C ATOM 0 H ILE A 8 1.525 0.386 -6.690 1.00 1.00 H new ATOM 0 HA ILE A 8 -1.033 0.154 -5.300 1.00 1.00 H new ATOM 0 HB ILE A 8 1.023 2.395 -5.318 1.00 1.00 H new ATOM 0 HG12 ILE A 8 1.959 0.377 -4.330 1.00 1.00 H new ATOM 0 HG13 ILE A 8 1.654 1.577 -3.090 1.00 1.00 H new ATOM 0 HG21 ILE A 8 -0.205 3.203 -3.334 1.00 1.00 H new ATOM 0 HG22 ILE A 8 -1.241 3.171 -4.780 1.00 1.00 H new ATOM 0 HG23 ILE A 8 -1.397 1.898 -3.546 1.00 1.00 H new ATOM 0 HD11 ILE A 8 1.003 -0.657 -2.329 1.00 1.00 H new ATOM 0 HD12 ILE A 8 -0.423 0.402 -2.446 1.00 1.00 H new ATOM 0 HD13 ILE A 8 -0.112 -0.816 -3.706 1.00 1.00 H new ATOM 222 N SER A 9 -2.368 1.391 -6.971 1.00 1.00 N ATOM 223 CA SER A 9 -3.200 2.131 -7.898 1.00 1.00 C ATOM 224 C SER A 9 -3.856 3.311 -7.191 1.00 1.00 C ATOM 225 O SER A 9 -4.824 3.145 -6.447 1.00 1.00 O ATOM 226 CB SER A 9 -4.265 1.208 -8.504 1.00 1.00 C ATOM 227 OG SER A 9 -5.040 1.882 -9.486 1.00 1.00 O ATOM 0 H SER A 9 -2.861 0.671 -6.443 1.00 1.00 H new ATOM 0 HA SER A 9 -2.574 2.515 -8.704 1.00 1.00 H new ATOM 0 HB2 SER A 9 -3.783 0.340 -8.953 1.00 1.00 H new ATOM 0 HB3 SER A 9 -4.919 0.837 -7.714 1.00 1.00 H new ATOM 0 HG SER A 9 -5.708 1.267 -9.854 1.00 1.00 H new ATOM 233 N ILE A 10 -3.303 4.495 -7.402 1.00 1.00 N ATOM 234 CA ILE A 10 -3.888 5.717 -6.875 1.00 1.00 C ATOM 235 C ILE A 10 -4.732 6.364 -7.963 1.00 1.00 C ATOM 236 O ILE A 10 -4.213 7.106 -8.798 1.00 1.00 O ATOM 237 CB ILE A 10 -2.806 6.719 -6.410 1.00 1.00 C ATOM 238 CG1 ILE A 10 -1.897 6.088 -5.356 1.00 1.00 C ATOM 239 CG2 ILE A 10 -3.450 7.986 -5.858 1.00 1.00 C ATOM 240 CD1 ILE A 10 -0.615 6.857 -5.130 1.00 1.00 C ATOM 0 H ILE A 10 -2.446 4.635 -7.937 1.00 1.00 H new ATOM 0 HA ILE A 10 -4.498 5.458 -6.010 1.00 1.00 H new ATOM 0 HB ILE A 10 -2.198 6.984 -7.275 1.00 1.00 H new ATOM 0 HG12 ILE A 10 -2.440 6.017 -4.414 1.00 1.00 H new ATOM 0 HG13 ILE A 10 -1.653 5.070 -5.660 1.00 1.00 H new ATOM 0 HG21 ILE A 10 -2.673 8.679 -5.536 1.00 1.00 H new ATOM 0 HG22 ILE A 10 -4.055 8.455 -6.634 1.00 1.00 H new ATOM 0 HG23 ILE A 10 -4.084 7.732 -5.008 1.00 1.00 H new ATOM 0 HD11 ILE A 10 -0.018 6.353 -4.370 1.00 1.00 H new ATOM 0 HD12 ILE A 10 -0.051 6.906 -6.061 1.00 1.00 H new ATOM 0 HD13 ILE A 10 -0.851 7.867 -4.796 1.00 1.00 H new ATOM 252 N GLY A 11 -6.022 6.055 -7.972 1.00 1.00 N ATOM 253 CA GLY A 11 -6.886 6.526 -9.036 1.00 1.00 C ATOM 254 C GLY A 11 -6.536 5.880 -10.362 1.00 1.00 C ATOM 255 O GLY A 11 -6.903 4.734 -10.618 1.00 1.00 O ATOM 0 H GLY A 11 -6.485 5.487 -7.262 1.00 1.00 H new ATOM 0 HA2 GLY A 11 -7.924 6.308 -8.787 1.00 1.00 H new ATOM 0 HA3 GLY A 11 -6.800 7.609 -9.124 1.00 1.00 H new ATOM 259 N ASN A 12 -5.812 6.610 -11.199 1.00 1.00 N ATOM 260 CA ASN A 12 -5.343 6.074 -12.473 1.00 1.00 C ATOM 261 C ASN A 12 -3.832 5.868 -12.432 1.00 1.00 C ATOM 262 O ASN A 12 -3.255 5.183 -13.276 1.00 1.00 O ATOM 263 CB ASN A 12 -5.710 7.023 -13.619 1.00 1.00 C ATOM 264 CG ASN A 12 -5.324 6.477 -14.984 1.00 1.00 C ATOM 265 OD1 ASN A 12 -5.346 5.267 -15.215 1.00 1.00 O ATOM 266 ND2 ASN A 12 -4.953 7.365 -15.894 1.00 1.00 N ATOM 0 H ASN A 12 -5.536 7.575 -11.020 1.00 1.00 H new ATOM 0 HA ASN A 12 -5.828 5.113 -12.644 1.00 1.00 H new ATOM 0 HB2 ASN A 12 -6.783 7.211 -13.599 1.00 1.00 H new ATOM 0 HB3 ASN A 12 -5.215 7.982 -13.463 1.00 1.00 H new ATOM 0 HD21 ASN A 12 -4.672 7.055 -16.824 1.00 1.00 H new ATOM 0 HD22 ASN A 12 -4.948 8.359 -15.664 1.00 1.00 H new ATOM 273 N VAL A 13 -3.194 6.456 -11.432 1.00 1.00 N ATOM 274 CA VAL A 13 -1.748 6.397 -11.317 1.00 1.00 C ATOM 275 C VAL A 13 -1.317 5.134 -10.580 1.00 1.00 C ATOM 276 O VAL A 13 -1.378 5.066 -9.352 1.00 1.00 O ATOM 277 CB VAL A 13 -1.189 7.637 -10.583 1.00 1.00 C ATOM 278 CG1 VAL A 13 0.331 7.617 -10.565 1.00 1.00 C ATOM 279 CG2 VAL A 13 -1.699 8.917 -11.228 1.00 1.00 C ATOM 0 H VAL A 13 -3.656 6.979 -10.689 1.00 1.00 H new ATOM 0 HA VAL A 13 -1.343 6.380 -12.329 1.00 1.00 H new ATOM 0 HB VAL A 13 -1.541 7.607 -9.552 1.00 1.00 H new ATOM 0 HG11 VAL A 13 0.700 8.500 -10.043 1.00 1.00 H new ATOM 0 HG12 VAL A 13 0.677 6.720 -10.051 1.00 1.00 H new ATOM 0 HG13 VAL A 13 0.707 7.617 -11.588 1.00 1.00 H new ATOM 0 HG21 VAL A 13 -1.294 9.778 -10.697 1.00 1.00 H new ATOM 0 HG22 VAL A 13 -1.381 8.951 -12.270 1.00 1.00 H new ATOM 0 HG23 VAL A 13 -2.788 8.940 -11.180 1.00 1.00 H new ATOM 289 N VAL A 14 -0.906 4.127 -11.337 1.00 1.00 N ATOM 290 CA VAL A 14 -0.413 2.890 -10.756 1.00 1.00 C ATOM 291 C VAL A 14 1.103 2.949 -10.617 1.00 1.00 C ATOM 292 O VAL A 14 1.824 3.024 -11.614 1.00 1.00 O ATOM 293 CB VAL A 14 -0.803 1.661 -11.608 1.00 1.00 C ATOM 294 CG1 VAL A 14 -0.348 0.371 -10.938 1.00 1.00 C ATOM 295 CG2 VAL A 14 -2.303 1.635 -11.861 1.00 1.00 C ATOM 0 H VAL A 14 -0.905 4.144 -12.357 1.00 1.00 H new ATOM 0 HA VAL A 14 -0.874 2.782 -9.774 1.00 1.00 H new ATOM 0 HB VAL A 14 -0.296 1.741 -12.570 1.00 1.00 H new ATOM 0 HG11 VAL A 14 -0.634 -0.480 -11.556 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.735 0.386 -10.819 1.00 1.00 H new ATOM 0 HG13 VAL A 14 -0.820 0.283 -9.959 1.00 1.00 H new ATOM 0 HG21 VAL A 14 -2.555 0.762 -12.463 1.00 1.00 H new ATOM 0 HG22 VAL A 14 -2.832 1.585 -10.909 1.00 1.00 H new ATOM 0 HG23 VAL A 14 -2.598 2.540 -12.393 1.00 1.00 H new ATOM 305 N LYS A 15 1.579 2.943 -9.381 1.00 1.00 N ATOM 306 CA LYS A 15 3.008 3.005 -9.105 1.00 1.00 C ATOM 307 C LYS A 15 3.444 1.789 -8.301 1.00 1.00 C ATOM 308 O LYS A 15 2.757 1.384 -7.364 1.00 1.00 O ATOM 309 CB LYS A 15 3.348 4.280 -8.323 1.00 1.00 C ATOM 310 CG LYS A 15 3.117 5.568 -9.096 1.00 1.00 C ATOM 311 CD LYS A 15 4.128 5.745 -10.218 1.00 1.00 C ATOM 312 CE LYS A 15 3.904 7.053 -10.959 1.00 1.00 C ATOM 313 NZ LYS A 15 4.928 7.286 -12.012 1.00 1.00 N ATOM 0 H LYS A 15 0.993 2.896 -8.548 1.00 1.00 H new ATOM 0 HA LYS A 15 3.538 3.017 -10.057 1.00 1.00 H new ATOM 0 HB2 LYS A 15 2.749 4.304 -7.412 1.00 1.00 H new ATOM 0 HB3 LYS A 15 4.393 4.236 -8.016 1.00 1.00 H new ATOM 0 HG2 LYS A 15 2.110 5.566 -9.512 1.00 1.00 H new ATOM 0 HG3 LYS A 15 3.179 6.416 -8.415 1.00 1.00 H new ATOM 0 HD2 LYS A 15 5.138 5.725 -9.808 1.00 1.00 H new ATOM 0 HD3 LYS A 15 4.051 4.911 -10.916 1.00 1.00 H new ATOM 0 HE2 LYS A 15 2.913 7.046 -11.414 1.00 1.00 H new ATOM 0 HE3 LYS A 15 3.922 7.879 -10.248 1.00 1.00 H new ATOM 0 HZ1 LYS A 15 4.735 8.189 -12.490 1.00 1.00 H new ATOM 0 HZ2 LYS A 15 5.872 7.320 -11.577 1.00 1.00 H new ATOM 0 HZ3 LYS A 15 4.894 6.512 -12.706 1.00 1.00 H new ATOM 327 N THR A 16 4.573 1.201 -8.665 1.00 1.00 N ATOM 328 CA THR A 16 5.121 0.100 -7.895 1.00 1.00 C ATOM 329 C THR A 16 5.902 0.652 -6.704 1.00 1.00 C ATOM 330 O THR A 16 6.920 1.333 -6.857 1.00 1.00 O ATOM 331 CB THR A 16 6.008 -0.839 -8.755 1.00 1.00 C ATOM 332 OG1 THR A 16 6.510 -1.921 -7.954 1.00 1.00 O ATOM 333 CG2 THR A 16 7.170 -0.091 -9.389 1.00 1.00 C ATOM 0 H THR A 16 5.123 1.466 -9.482 1.00 1.00 H new ATOM 0 HA THR A 16 4.290 -0.507 -7.535 1.00 1.00 H new ATOM 0 HB THR A 16 5.383 -1.235 -9.556 1.00 1.00 H new ATOM 0 HG1 THR A 16 7.067 -2.507 -8.508 1.00 1.00 H new ATOM 0 HG21 THR A 16 7.767 -0.783 -9.983 1.00 1.00 H new ATOM 0 HG22 THR A 16 6.786 0.701 -10.032 1.00 1.00 H new ATOM 0 HG23 THR A 16 7.791 0.346 -8.607 1.00 1.00 H new ATOM 341 N MET A 17 5.396 0.389 -5.520 1.00 1.00 N ATOM 342 CA MET A 17 5.987 0.921 -4.304 1.00 1.00 C ATOM 343 C MET A 17 6.610 -0.194 -3.492 1.00 1.00 C ATOM 344 O MET A 17 6.025 -1.266 -3.343 1.00 1.00 O ATOM 345 CB MET A 17 4.939 1.656 -3.471 1.00 1.00 C ATOM 346 CG MET A 17 4.441 2.940 -4.111 1.00 1.00 C ATOM 347 SD MET A 17 5.721 4.207 -4.215 1.00 1.00 S ATOM 348 CE MET A 17 6.097 4.453 -2.479 1.00 1.00 C ATOM 0 H MET A 17 4.572 -0.193 -5.369 1.00 1.00 H new ATOM 0 HA MET A 17 6.765 1.631 -4.584 1.00 1.00 H new ATOM 0 HB2 MET A 17 4.091 0.992 -3.302 1.00 1.00 H new ATOM 0 HB3 MET A 17 5.362 1.888 -2.494 1.00 1.00 H new ATOM 0 HG2 MET A 17 4.069 2.722 -5.112 1.00 1.00 H new ATOM 0 HG3 MET A 17 3.600 3.326 -3.535 1.00 1.00 H new ATOM 0 HE1 MET A 17 6.230 5.517 -2.283 1.00 1.00 H new ATOM 0 HE2 MET A 17 5.276 4.072 -1.871 1.00 1.00 H new ATOM 0 HE3 MET A 17 7.014 3.920 -2.226 1.00 1.00 H new ATOM 358 N GLN A 18 7.792 0.064 -2.967 1.00 1.00 N ATOM 359 CA GLN A 18 8.523 -0.939 -2.218 1.00 1.00 C ATOM 360 C GLN A 18 8.616 -0.531 -0.758 1.00 1.00 C ATOM 361 O GLN A 18 9.338 0.405 -0.407 1.00 1.00 O ATOM 362 CB GLN A 18 9.918 -1.132 -2.811 1.00 1.00 C ATOM 363 CG GLN A 18 9.904 -1.385 -4.310 1.00 1.00 C ATOM 364 CD GLN A 18 11.278 -1.696 -4.857 1.00 1.00 C ATOM 365 OE1 GLN A 18 12.023 -0.798 -5.243 1.00 1.00 O ATOM 366 NE2 GLN A 18 11.616 -2.974 -4.907 1.00 1.00 N ATOM 0 H GLN A 18 8.268 0.963 -3.046 1.00 1.00 H new ATOM 0 HA GLN A 18 7.989 -1.887 -2.282 1.00 1.00 H new ATOM 0 HB2 GLN A 18 10.519 -0.246 -2.605 1.00 1.00 H new ATOM 0 HB3 GLN A 18 10.404 -1.970 -2.312 1.00 1.00 H new ATOM 0 HG2 GLN A 18 9.233 -2.215 -4.529 1.00 1.00 H new ATOM 0 HG3 GLN A 18 9.503 -0.509 -4.819 1.00 1.00 H new ATOM 0 HE21 GLN A 18 10.966 -3.687 -4.575 1.00 1.00 H new ATOM 0 HE22 GLN A 18 12.527 -3.247 -5.277 1.00 1.00 H new ATOM 375 N PHE A 19 7.861 -1.220 0.079 1.00 1.00 N ATOM 376 CA PHE A 19 7.836 -0.936 1.503 1.00 1.00 C ATOM 377 C PHE A 19 8.665 -1.975 2.251 1.00 1.00 C ATOM 378 O PHE A 19 9.222 -2.893 1.645 1.00 1.00 O ATOM 379 CB PHE A 19 6.400 -0.975 2.043 1.00 1.00 C ATOM 380 CG PHE A 19 5.383 -0.197 1.245 1.00 1.00 C ATOM 381 CD1 PHE A 19 4.756 -0.775 0.151 1.00 1.00 C ATOM 382 CD2 PHE A 19 5.030 1.094 1.609 1.00 1.00 C ATOM 383 CE1 PHE A 19 3.800 -0.082 -0.565 1.00 1.00 C ATOM 384 CE2 PHE A 19 4.075 1.795 0.891 1.00 1.00 C ATOM 385 CZ PHE A 19 3.458 1.203 -0.195 1.00 1.00 C ATOM 0 H PHE A 19 7.252 -1.987 -0.206 1.00 1.00 H new ATOM 0 HA PHE A 19 8.250 0.061 1.656 1.00 1.00 H new ATOM 0 HB2 PHE A 19 6.078 -2.015 2.093 1.00 1.00 H new ATOM 0 HB3 PHE A 19 6.404 -0.593 3.064 1.00 1.00 H new ATOM 0 HD1 PHE A 19 5.019 -1.780 -0.145 1.00 1.00 H new ATOM 0 HD2 PHE A 19 5.505 1.558 2.461 1.00 1.00 H new ATOM 0 HE1 PHE A 19 3.320 -0.545 -1.414 1.00 1.00 H new ATOM 0 HE2 PHE A 19 3.813 2.802 1.179 1.00 1.00 H new ATOM 0 HZ PHE A 19 2.709 1.745 -0.753 1.00 1.00 H new ATOM 395 N GLU A 20 8.728 -1.839 3.564 1.00 1.00 N ATOM 396 CA GLU A 20 9.333 -2.853 4.410 1.00 1.00 C ATOM 397 C GLU A 20 8.261 -3.859 4.806 1.00 1.00 C ATOM 398 O GLU A 20 7.091 -3.499 4.929 1.00 1.00 O ATOM 399 CB GLU A 20 9.932 -2.218 5.670 1.00 1.00 C ATOM 400 CG GLU A 20 11.086 -1.267 5.405 1.00 1.00 C ATOM 401 CD GLU A 20 12.353 -1.980 4.989 1.00 1.00 C ATOM 402 OE1 GLU A 20 12.804 -2.882 5.729 1.00 1.00 O ATOM 403 OE2 GLU A 20 12.930 -1.619 3.945 1.00 1.00 O ATOM 0 H GLU A 20 8.365 -1.031 4.070 1.00 1.00 H new ATOM 0 HA GLU A 20 10.134 -3.349 3.862 1.00 1.00 H new ATOM 0 HB2 GLU A 20 9.146 -1.678 6.199 1.00 1.00 H new ATOM 0 HB3 GLU A 20 10.276 -3.011 6.334 1.00 1.00 H new ATOM 0 HG2 GLU A 20 10.798 -0.563 4.624 1.00 1.00 H new ATOM 0 HG3 GLU A 20 11.282 -0.683 6.304 1.00 1.00 H new ATOM 410 N PRO A 21 8.621 -5.133 4.992 1.00 1.00 N ATOM 411 CA PRO A 21 7.668 -6.147 5.451 1.00 1.00 C ATOM 412 C PRO A 21 6.986 -5.739 6.756 1.00 1.00 C ATOM 413 O PRO A 21 5.784 -5.944 6.937 1.00 1.00 O ATOM 414 CB PRO A 21 8.538 -7.388 5.662 1.00 1.00 C ATOM 415 CG PRO A 21 9.719 -7.181 4.781 1.00 1.00 C ATOM 416 CD PRO A 21 9.962 -5.697 4.755 1.00 1.00 C ATOM 0 HA PRO A 21 6.857 -6.302 4.739 1.00 1.00 H new ATOM 0 HB2 PRO A 21 8.836 -7.489 6.706 1.00 1.00 H new ATOM 0 HB3 PRO A 21 8.000 -8.298 5.395 1.00 1.00 H new ATOM 0 HG2 PRO A 21 10.590 -7.712 5.165 1.00 1.00 H new ATOM 0 HG3 PRO A 21 9.529 -7.563 3.778 1.00 1.00 H new ATOM 0 HD2 PRO A 21 10.670 -5.391 5.526 1.00 1.00 H new ATOM 0 HD3 PRO A 21 10.372 -5.373 3.799 1.00 1.00 H new ATOM 424 N SER A 22 7.753 -5.119 7.641 1.00 1.00 N ATOM 425 CA SER A 22 7.254 -4.722 8.949 1.00 1.00 C ATOM 426 C SER A 22 6.638 -3.317 8.927 1.00 1.00 C ATOM 427 O SER A 22 6.405 -2.721 9.981 1.00 1.00 O ATOM 428 CB SER A 22 8.388 -4.781 9.967 1.00 1.00 C ATOM 429 OG SER A 22 9.012 -6.057 9.958 1.00 1.00 O ATOM 0 H SER A 22 8.730 -4.879 7.475 1.00 1.00 H new ATOM 0 HA SER A 22 6.465 -5.418 9.232 1.00 1.00 H new ATOM 0 HB2 SER A 22 9.125 -4.010 9.742 1.00 1.00 H new ATOM 0 HB3 SER A 22 7.999 -4.569 10.963 1.00 1.00 H new ATOM 0 HG SER A 22 9.737 -6.071 10.617 1.00 1.00 H new ATOM 435 N THR A 23 6.376 -2.787 7.738 1.00 1.00 N ATOM 436 CA THR A 23 5.729 -1.486 7.621 1.00 1.00 C ATOM 437 C THR A 23 4.251 -1.595 7.983 1.00 1.00 C ATOM 438 O THR A 23 3.557 -2.508 7.530 1.00 1.00 O ATOM 439 CB THR A 23 5.876 -0.899 6.198 1.00 1.00 C ATOM 440 OG1 THR A 23 7.262 -0.724 5.882 1.00 1.00 O ATOM 441 CG2 THR A 23 5.162 0.439 6.074 1.00 1.00 C ATOM 0 H THR A 23 6.599 -3.233 6.849 1.00 1.00 H new ATOM 0 HA THR A 23 6.226 -0.811 8.318 1.00 1.00 H new ATOM 0 HB THR A 23 5.420 -1.601 5.500 1.00 1.00 H new ATOM 0 HG1 THR A 23 7.705 -0.241 6.611 1.00 1.00 H new ATOM 0 HG21 THR A 23 5.285 0.824 5.062 1.00 1.00 H new ATOM 0 HG22 THR A 23 4.101 0.306 6.286 1.00 1.00 H new ATOM 0 HG23 THR A 23 5.588 1.146 6.786 1.00 1.00 H new ATOM 449 N MET A 24 3.787 -0.671 8.813 1.00 1.00 N ATOM 450 CA MET A 24 2.395 -0.650 9.244 1.00 1.00 C ATOM 451 C MET A 24 1.509 -0.112 8.126 1.00 1.00 C ATOM 452 O MET A 24 1.937 0.740 7.350 1.00 1.00 O ATOM 453 CB MET A 24 2.247 0.214 10.499 1.00 1.00 C ATOM 454 CG MET A 24 3.134 -0.230 11.654 1.00 1.00 C ATOM 455 SD MET A 24 2.722 -1.878 12.261 1.00 1.00 S ATOM 456 CE MET A 24 1.078 -1.589 12.908 1.00 1.00 C ATOM 0 H MET A 24 4.358 0.079 9.204 1.00 1.00 H new ATOM 0 HA MET A 24 2.083 -1.667 9.480 1.00 1.00 H new ATOM 0 HB2 MET A 24 2.483 1.248 10.248 1.00 1.00 H new ATOM 0 HB3 MET A 24 1.206 0.194 10.823 1.00 1.00 H new ATOM 0 HG2 MET A 24 4.175 -0.217 11.332 1.00 1.00 H new ATOM 0 HG3 MET A 24 3.044 0.486 12.471 1.00 1.00 H new ATOM 0 HE1 MET A 24 0.823 -2.376 13.618 1.00 1.00 H new ATOM 0 HE2 MET A 24 1.050 -0.623 13.412 1.00 1.00 H new ATOM 0 HE3 MET A 24 0.359 -1.592 12.089 1.00 1.00 H new ATOM 466 N VAL A 25 0.277 -0.602 8.052 1.00 1.00 N ATOM 467 CA VAL A 25 -0.636 -0.233 6.974 1.00 1.00 C ATOM 468 C VAL A 25 -0.862 1.279 6.893 1.00 1.00 C ATOM 469 O VAL A 25 -0.719 1.871 5.822 1.00 1.00 O ATOM 470 CB VAL A 25 -1.993 -0.950 7.112 1.00 1.00 C ATOM 471 CG1 VAL A 25 -3.006 -0.397 6.119 1.00 1.00 C ATOM 472 CG2 VAL A 25 -1.815 -2.449 6.912 1.00 1.00 C ATOM 0 H VAL A 25 -0.115 -1.258 8.728 1.00 1.00 H new ATOM 0 HA VAL A 25 -0.156 -0.554 6.050 1.00 1.00 H new ATOM 0 HB VAL A 25 -2.375 -0.771 8.117 1.00 1.00 H new ATOM 0 HG11 VAL A 25 -3.955 -0.920 6.238 1.00 1.00 H new ATOM 0 HG12 VAL A 25 -3.153 0.667 6.304 1.00 1.00 H new ATOM 0 HG13 VAL A 25 -2.636 -0.541 5.104 1.00 1.00 H new ATOM 0 HG21 VAL A 25 -2.780 -2.946 7.012 1.00 1.00 H new ATOM 0 HG22 VAL A 25 -1.410 -2.638 5.918 1.00 1.00 H new ATOM 0 HG23 VAL A 25 -1.127 -2.837 7.663 1.00 1.00 H new ATOM 482 N TYR A 26 -1.195 1.909 8.019 1.00 1.00 N ATOM 483 CA TYR A 26 -1.471 3.346 8.016 1.00 1.00 C ATOM 484 C TYR A 26 -0.203 4.130 7.702 1.00 1.00 C ATOM 485 O TYR A 26 -0.256 5.233 7.160 1.00 1.00 O ATOM 486 CB TYR A 26 -2.056 3.813 9.357 1.00 1.00 C ATOM 487 CG TYR A 26 -1.055 3.886 10.494 1.00 1.00 C ATOM 488 CD1 TYR A 26 -0.733 2.762 11.239 1.00 1.00 C ATOM 489 CD2 TYR A 26 -0.438 5.088 10.823 1.00 1.00 C ATOM 490 CE1 TYR A 26 0.175 2.829 12.277 1.00 1.00 C ATOM 491 CE2 TYR A 26 0.472 5.163 11.859 1.00 1.00 C ATOM 492 CZ TYR A 26 0.773 4.032 12.583 1.00 1.00 C ATOM 493 OH TYR A 26 1.682 4.101 13.617 1.00 1.00 O ATOM 0 H TYR A 26 -1.279 1.458 8.930 1.00 1.00 H new ATOM 0 HA TYR A 26 -2.213 3.535 7.240 1.00 1.00 H new ATOM 0 HB2 TYR A 26 -2.502 4.798 9.220 1.00 1.00 H new ATOM 0 HB3 TYR A 26 -2.861 3.136 9.642 1.00 1.00 H new ATOM 0 HD1 TYR A 26 -1.201 1.817 11.003 1.00 1.00 H new ATOM 0 HD2 TYR A 26 -0.675 5.978 10.259 1.00 1.00 H new ATOM 0 HE1 TYR A 26 0.415 1.943 12.846 1.00 1.00 H new ATOM 0 HE2 TYR A 26 0.945 6.104 12.100 1.00 1.00 H new ATOM 0 HH TYR A 26 2.012 5.020 13.702 1.00 1.00 H new ATOM 503 N ASP A 27 0.938 3.543 8.032 1.00 1.00 N ATOM 504 CA ASP A 27 2.220 4.193 7.804 1.00 1.00 C ATOM 505 C ASP A 27 2.602 4.090 6.335 1.00 1.00 C ATOM 506 O ASP A 27 3.112 5.042 5.747 1.00 1.00 O ATOM 507 CB ASP A 27 3.303 3.572 8.684 1.00 1.00 C ATOM 508 CG ASP A 27 4.627 4.297 8.564 1.00 1.00 C ATOM 509 OD1 ASP A 27 4.704 5.475 8.978 1.00 1.00 O ATOM 510 OD2 ASP A 27 5.596 3.694 8.064 1.00 1.00 O ATOM 0 H ASP A 27 1.002 2.619 8.458 1.00 1.00 H new ATOM 0 HA ASP A 27 2.129 5.246 8.070 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.976 3.587 9.724 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.438 2.526 8.407 1.00 1.00 H new ATOM 515 N ALA A 28 2.327 2.934 5.742 1.00 1.00 N ATOM 516 CA ALA A 28 2.512 2.740 4.310 1.00 1.00 C ATOM 517 C ALA A 28 1.577 3.660 3.538 1.00 1.00 C ATOM 518 O ALA A 28 1.933 4.202 2.490 1.00 1.00 O ATOM 519 CB ALA A 28 2.256 1.290 3.934 1.00 1.00 C ATOM 0 H ALA A 28 1.973 2.114 6.234 1.00 1.00 H new ATOM 0 HA ALA A 28 3.542 2.985 4.052 1.00 1.00 H new ATOM 0 HB1 ALA A 28 2.398 1.162 2.861 1.00 1.00 H new ATOM 0 HB2 ALA A 28 2.952 0.646 4.472 1.00 1.00 H new ATOM 0 HB3 ALA A 28 1.234 1.020 4.199 1.00 1.00 H new ATOM 525 N CYS A 29 0.376 3.830 4.077 1.00 1.00 N ATOM 526 CA CYS A 29 -0.595 4.764 3.531 1.00 1.00 C ATOM 527 C CYS A 29 -0.025 6.184 3.552 1.00 1.00 C ATOM 528 O CYS A 29 -0.171 6.946 2.589 1.00 1.00 O ATOM 529 CB CYS A 29 -1.895 4.687 4.344 1.00 1.00 C ATOM 530 SG CYS A 29 -3.142 5.925 3.915 1.00 1.00 S ATOM 0 H CYS A 29 0.051 3.325 4.902 1.00 1.00 H new ATOM 0 HA CYS A 29 -0.813 4.499 2.496 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -2.329 3.696 4.213 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -1.651 4.791 5.401 1.00 1.00 H new ATOM 0 HG CYS A 29 -3.447 5.815 2.656 1.00 1.00 H new ATOM 536 N ARG A 30 0.643 6.525 4.648 1.00 1.00 N ATOM 537 CA ARG A 30 1.296 7.815 4.767 1.00 1.00 C ATOM 538 C ARG A 30 2.433 7.924 3.757 1.00 1.00 C ATOM 539 O ARG A 30 2.566 8.942 3.081 1.00 1.00 O ATOM 540 CB ARG A 30 1.828 8.029 6.187 1.00 1.00 C ATOM 541 CG ARG A 30 2.490 9.383 6.385 1.00 1.00 C ATOM 542 CD ARG A 30 2.982 9.568 7.811 1.00 1.00 C ATOM 543 NE ARG A 30 3.615 10.872 8.003 1.00 1.00 N ATOM 544 CZ ARG A 30 3.854 11.416 9.196 1.00 1.00 C ATOM 545 NH1 ARG A 30 3.525 10.764 10.307 1.00 1.00 N ATOM 546 NH2 ARG A 30 4.429 12.607 9.277 1.00 1.00 N ATOM 0 H ARG A 30 0.744 5.923 5.465 1.00 1.00 H new ATOM 0 HA ARG A 30 0.560 8.591 4.558 1.00 1.00 H new ATOM 0 HB2 ARG A 30 1.005 7.928 6.895 1.00 1.00 H new ATOM 0 HB3 ARG A 30 2.547 7.244 6.420 1.00 1.00 H new ATOM 0 HG2 ARG A 30 3.328 9.482 5.696 1.00 1.00 H new ATOM 0 HG3 ARG A 30 1.781 10.174 6.140 1.00 1.00 H new ATOM 0 HD2 ARG A 30 2.144 9.466 8.501 1.00 1.00 H new ATOM 0 HD3 ARG A 30 3.694 8.779 8.055 1.00 1.00 H new ATOM 0 HE ARG A 30 3.890 11.397 7.173 1.00 1.00 H new ATOM 0 HH11 ARG A 30 3.088 9.844 10.248 1.00 1.00 H new ATOM 0 HH12 ARG A 30 3.710 11.184 11.218 1.00 1.00 H new ATOM 0 HH21 ARG A 30 4.688 13.107 8.427 1.00 1.00 H new ATOM 0 HH22 ARG A 30 4.612 13.024 10.190 1.00 1.00 H new ATOM 560 N MET A 31 3.230 6.859 3.647 1.00 1.00 N ATOM 561 CA MET A 31 4.362 6.823 2.719 1.00 1.00 C ATOM 562 C MET A 31 3.928 7.176 1.303 1.00 1.00 C ATOM 563 O MET A 31 4.630 7.899 0.596 1.00 1.00 O ATOM 564 CB MET A 31 5.034 5.446 2.710 1.00 1.00 C ATOM 565 CG MET A 31 5.768 5.100 3.993 1.00 1.00 C ATOM 566 SD MET A 31 6.709 3.567 3.852 1.00 1.00 S ATOM 567 CE MET A 31 7.417 3.445 5.493 1.00 1.00 C ATOM 0 H MET A 31 3.111 6.005 4.193 1.00 1.00 H new ATOM 0 HA MET A 31 5.079 7.566 3.069 1.00 1.00 H new ATOM 0 HB2 MET A 31 4.275 4.686 2.523 1.00 1.00 H new ATOM 0 HB3 MET A 31 5.739 5.404 1.880 1.00 1.00 H new ATOM 0 HG2 MET A 31 6.443 5.915 4.254 1.00 1.00 H new ATOM 0 HG3 MET A 31 5.049 5.009 4.807 1.00 1.00 H new ATOM 0 HE1 MET A 31 8.504 3.497 5.425 1.00 1.00 H new ATOM 0 HE2 MET A 31 7.052 4.267 6.109 1.00 1.00 H new ATOM 0 HE3 MET A 31 7.127 2.496 5.945 1.00 1.00 H new ATOM 577 N ILE A 32 2.768 6.669 0.895 1.00 1.00 N ATOM 578 CA ILE A 32 2.229 6.971 -0.425 1.00 1.00 C ATOM 579 C ILE A 32 2.052 8.475 -0.621 1.00 1.00 C ATOM 580 O ILE A 32 2.362 9.004 -1.685 1.00 1.00 O ATOM 581 CB ILE A 32 0.895 6.219 -0.695 1.00 1.00 C ATOM 582 CG1 ILE A 32 1.186 4.805 -1.206 1.00 1.00 C ATOM 583 CG2 ILE A 32 0.015 6.977 -1.679 1.00 1.00 C ATOM 584 CD1 ILE A 32 1.918 4.778 -2.533 1.00 1.00 C ATOM 0 H ILE A 32 2.186 6.049 1.458 1.00 1.00 H new ATOM 0 HA ILE A 32 2.958 6.616 -1.154 1.00 1.00 H new ATOM 0 HB ILE A 32 0.347 6.151 0.245 1.00 1.00 H new ATOM 0 HG12 ILE A 32 1.780 4.274 -0.462 1.00 1.00 H new ATOM 0 HG13 ILE A 32 0.245 4.264 -1.308 1.00 1.00 H new ATOM 0 HG21 ILE A 32 -0.908 6.422 -1.844 1.00 1.00 H new ATOM 0 HG22 ILE A 32 -0.221 7.961 -1.273 1.00 1.00 H new ATOM 0 HG23 ILE A 32 0.543 7.092 -2.626 1.00 1.00 H new ATOM 0 HD11 ILE A 32 2.090 3.744 -2.833 1.00 1.00 H new ATOM 0 HD12 ILE A 32 1.316 5.280 -3.291 1.00 1.00 H new ATOM 0 HD13 ILE A 32 2.875 5.290 -2.431 1.00 1.00 H new ATOM 596 N ARG A 33 1.595 9.167 0.415 1.00 1.00 N ATOM 597 CA ARG A 33 1.401 10.611 0.328 1.00 1.00 C ATOM 598 C ARG A 33 2.747 11.326 0.309 1.00 1.00 C ATOM 599 O ARG A 33 2.945 12.290 -0.425 1.00 1.00 O ATOM 600 CB ARG A 33 0.610 11.142 1.514 1.00 1.00 C ATOM 601 CG ARG A 33 -0.540 10.273 1.979 1.00 1.00 C ATOM 602 CD ARG A 33 -1.119 10.850 3.256 1.00 1.00 C ATOM 603 NE ARG A 33 -0.047 11.371 4.107 1.00 1.00 N ATOM 604 CZ ARG A 33 -0.195 12.318 5.028 1.00 1.00 C ATOM 605 NH1 ARG A 33 -1.390 12.836 5.282 1.00 1.00 N ATOM 606 NH2 ARG A 33 0.872 12.764 5.673 1.00 1.00 N ATOM 0 H ARG A 33 1.353 8.758 1.318 1.00 1.00 H new ATOM 0 HA ARG A 33 0.849 10.802 -0.592 1.00 1.00 H new ATOM 0 HB2 ARG A 33 1.295 11.284 2.350 1.00 1.00 H new ATOM 0 HB3 ARG A 33 0.217 12.125 1.254 1.00 1.00 H new ATOM 0 HG2 ARG A 33 -1.308 10.223 1.208 1.00 1.00 H new ATOM 0 HG3 ARG A 33 -0.194 9.254 2.151 1.00 1.00 H new ATOM 0 HD2 ARG A 33 -1.823 11.647 3.017 1.00 1.00 H new ATOM 0 HD3 ARG A 33 -1.677 10.081 3.791 1.00 1.00 H new ATOM 0 HE ARG A 33 0.886 10.977 3.983 1.00 1.00 H new ATOM 0 HH11 ARG A 33 -2.208 12.508 4.768 1.00 1.00 H new ATOM 0 HH12 ARG A 33 -1.491 13.562 5.991 1.00 1.00 H new ATOM 0 HH21 ARG A 33 1.793 12.381 5.461 1.00 1.00 H new ATOM 0 HH22 ARG A 33 0.773 13.490 6.382 1.00 1.00 H new ATOM 620 N GLU A 34 3.666 10.851 1.140 1.00 1.00 N ATOM 621 CA GLU A 34 4.968 11.492 1.287 1.00 1.00 C ATOM 622 C GLU A 34 5.769 11.387 -0.008 1.00 1.00 C ATOM 623 O GLU A 34 6.526 12.293 -0.361 1.00 1.00 O ATOM 624 CB GLU A 34 5.761 10.853 2.430 1.00 1.00 C ATOM 625 CG GLU A 34 4.960 10.631 3.707 1.00 1.00 C ATOM 626 CD GLU A 34 4.344 11.896 4.271 1.00 1.00 C ATOM 627 OE1 GLU A 34 5.095 12.848 4.567 1.00 1.00 O ATOM 628 OE2 GLU A 34 3.111 11.927 4.463 1.00 1.00 O ATOM 0 H GLU A 34 3.535 10.024 1.723 1.00 1.00 H new ATOM 0 HA GLU A 34 4.797 12.544 1.517 1.00 1.00 H new ATOM 0 HB2 GLU A 34 6.154 9.894 2.091 1.00 1.00 H new ATOM 0 HB3 GLU A 34 6.618 11.486 2.659 1.00 1.00 H new ATOM 0 HG2 GLU A 34 4.167 9.910 3.507 1.00 1.00 H new ATOM 0 HG3 GLU A 34 5.611 10.188 4.461 1.00 1.00 H new ATOM 635 N ARG A 35 5.603 10.272 -0.708 1.00 1.00 N ATOM 636 CA ARG A 35 6.316 10.040 -1.957 1.00 1.00 C ATOM 637 C ARG A 35 5.557 10.647 -3.135 1.00 1.00 C ATOM 638 O ARG A 35 6.160 11.193 -4.060 1.00 1.00 O ATOM 639 CB ARG A 35 6.516 8.538 -2.177 1.00 1.00 C ATOM 640 CG ARG A 35 7.333 8.179 -3.416 1.00 1.00 C ATOM 641 CD ARG A 35 8.785 8.627 -3.302 1.00 1.00 C ATOM 642 NE ARG A 35 8.952 10.066 -3.520 1.00 1.00 N ATOM 643 CZ ARG A 35 9.990 10.774 -3.071 1.00 1.00 C ATOM 644 NH1 ARG A 35 10.910 10.200 -2.304 1.00 1.00 N ATOM 645 NH2 ARG A 35 10.095 12.062 -3.376 1.00 1.00 N ATOM 0 H ARG A 35 4.980 9.513 -0.431 1.00 1.00 H new ATOM 0 HA ARG A 35 7.291 10.523 -1.891 1.00 1.00 H new ATOM 0 HB2 ARG A 35 7.008 8.118 -1.300 1.00 1.00 H new ATOM 0 HB3 ARG A 35 5.538 8.062 -2.252 1.00 1.00 H new ATOM 0 HG2 ARG A 35 7.299 7.101 -3.571 1.00 1.00 H new ATOM 0 HG3 ARG A 35 6.880 8.641 -4.293 1.00 1.00 H new ATOM 0 HD2 ARG A 35 9.165 8.367 -2.314 1.00 1.00 H new ATOM 0 HD3 ARG A 35 9.387 8.081 -4.028 1.00 1.00 H new ATOM 0 HE ARG A 35 8.230 10.557 -4.048 1.00 1.00 H new ATOM 0 HH11 ARG A 35 10.825 9.214 -2.056 1.00 1.00 H new ATOM 0 HH12 ARG A 35 11.702 10.745 -1.963 1.00 1.00 H new ATOM 0 HH21 ARG A 35 9.383 12.509 -3.953 1.00 1.00 H new ATOM 0 HH22 ARG A 35 10.888 12.604 -3.033 1.00 1.00 H new ATOM 659 N ILE A 36 4.237 10.547 -3.097 1.00 1.00 N ATOM 660 CA ILE A 36 3.397 11.056 -4.170 1.00 1.00 C ATOM 661 C ILE A 36 2.408 12.077 -3.616 1.00 1.00 C ATOM 662 O ILE A 36 1.555 11.741 -2.793 1.00 1.00 O ATOM 663 CB ILE A 36 2.624 9.908 -4.862 1.00 1.00 C ATOM 664 CG1 ILE A 36 3.598 8.829 -5.344 1.00 1.00 C ATOM 665 CG2 ILE A 36 1.801 10.441 -6.028 1.00 1.00 C ATOM 666 CD1 ILE A 36 2.923 7.611 -5.936 1.00 1.00 C ATOM 0 H ILE A 36 3.722 10.115 -2.330 1.00 1.00 H new ATOM 0 HA ILE A 36 4.041 11.533 -4.908 1.00 1.00 H new ATOM 0 HB ILE A 36 1.942 9.464 -4.137 1.00 1.00 H new ATOM 0 HG12 ILE A 36 4.263 9.262 -6.091 1.00 1.00 H new ATOM 0 HG13 ILE A 36 4.221 8.515 -4.506 1.00 1.00 H new ATOM 0 HG21 ILE A 36 1.265 9.618 -6.501 1.00 1.00 H new ATOM 0 HG22 ILE A 36 1.085 11.177 -5.662 1.00 1.00 H new ATOM 0 HG23 ILE A 36 2.463 10.909 -6.756 1.00 1.00 H new ATOM 0 HD11 ILE A 36 3.680 6.894 -6.253 1.00 1.00 H new ATOM 0 HD12 ILE A 36 2.279 7.151 -5.186 1.00 1.00 H new ATOM 0 HD13 ILE A 36 2.323 7.909 -6.796 1.00 1.00 H new ATOM 678 N PRO A 37 2.470 13.331 -4.097 1.00 1.00 N ATOM 679 CA PRO A 37 1.686 14.445 -3.535 1.00 1.00 C ATOM 680 C PRO A 37 0.211 14.291 -3.840 1.00 1.00 C ATOM 681 O PRO A 37 -0.643 14.959 -3.251 1.00 1.00 O ATOM 682 CB PRO A 37 2.239 15.650 -4.289 1.00 1.00 C ATOM 683 CG PRO A 37 2.562 15.067 -5.611 1.00 1.00 C ATOM 684 CD PRO A 37 3.248 13.773 -5.271 1.00 1.00 C ATOM 0 HA PRO A 37 1.766 14.513 -2.450 1.00 1.00 H new ATOM 0 HB2 PRO A 37 1.507 16.454 -4.366 1.00 1.00 H new ATOM 0 HB3 PRO A 37 3.120 16.067 -3.801 1.00 1.00 H new ATOM 0 HG2 PRO A 37 1.664 14.900 -6.205 1.00 1.00 H new ATOM 0 HG3 PRO A 37 3.210 15.724 -6.191 1.00 1.00 H new ATOM 0 HD2 PRO A 37 3.200 13.055 -6.090 1.00 1.00 H new ATOM 0 HD3 PRO A 37 4.302 13.917 -5.035 1.00 1.00 H new ATOM 692 N GLU A 38 -0.078 13.398 -4.772 1.00 1.00 N ATOM 693 CA GLU A 38 -1.432 13.158 -5.204 1.00 1.00 C ATOM 694 C GLU A 38 -2.275 12.630 -4.045 1.00 1.00 C ATOM 695 O GLU A 38 -3.480 12.869 -3.974 1.00 1.00 O ATOM 696 CB GLU A 38 -1.452 12.164 -6.365 1.00 1.00 C ATOM 697 CG GLU A 38 -0.810 12.701 -7.632 1.00 1.00 C ATOM 698 CD GLU A 38 -1.571 13.873 -8.212 1.00 1.00 C ATOM 699 OE1 GLU A 38 -2.515 13.643 -8.992 1.00 1.00 O ATOM 700 OE2 GLU A 38 -1.232 15.029 -7.894 1.00 1.00 O ATOM 0 H GLU A 38 0.621 12.825 -5.245 1.00 1.00 H new ATOM 0 HA GLU A 38 -1.858 14.102 -5.544 1.00 1.00 H new ATOM 0 HB2 GLU A 38 -0.935 11.254 -6.063 1.00 1.00 H new ATOM 0 HB3 GLU A 38 -2.484 11.888 -6.579 1.00 1.00 H new ATOM 0 HG2 GLU A 38 0.214 13.007 -7.416 1.00 1.00 H new ATOM 0 HG3 GLU A 38 -0.755 11.904 -8.374 1.00 1.00 H new ATOM 707 N ALA A 39 -1.622 11.918 -3.131 1.00 1.00 N ATOM 708 CA ALA A 39 -2.301 11.334 -1.985 1.00 1.00 C ATOM 709 C ALA A 39 -2.292 12.268 -0.774 1.00 1.00 C ATOM 710 O ALA A 39 -2.879 11.955 0.260 1.00 1.00 O ATOM 711 CB ALA A 39 -1.653 10.012 -1.630 1.00 1.00 C ATOM 0 H ALA A 39 -0.620 11.733 -3.165 1.00 1.00 H new ATOM 0 HA ALA A 39 -3.343 11.173 -2.261 1.00 1.00 H new ATOM 0 HB1 ALA A 39 -2.163 9.576 -0.771 1.00 1.00 H new ATOM 0 HB2 ALA A 39 -1.725 9.332 -2.479 1.00 1.00 H new ATOM 0 HB3 ALA A 39 -0.604 10.175 -1.384 1.00 1.00 H new ATOM 717 N LEU A 40 -1.651 13.422 -0.908 1.00 1.00 N ATOM 718 CA LEU A 40 -1.549 14.378 0.198 1.00 1.00 C ATOM 719 C LEU A 40 -2.810 15.229 0.326 1.00 1.00 C ATOM 720 O LEU A 40 -2.757 16.368 0.792 1.00 1.00 O ATOM 721 CB LEU A 40 -0.330 15.286 0.007 1.00 1.00 C ATOM 722 CG LEU A 40 0.997 14.712 0.505 1.00 1.00 C ATOM 723 CD1 LEU A 40 2.153 15.603 0.082 1.00 1.00 C ATOM 724 CD2 LEU A 40 0.977 14.571 2.021 1.00 1.00 C ATOM 0 H LEU A 40 -1.193 13.723 -1.768 1.00 1.00 H new ATOM 0 HA LEU A 40 -1.434 13.803 1.117 1.00 1.00 H new ATOM 0 HB2 LEU A 40 -0.232 15.516 -1.054 1.00 1.00 H new ATOM 0 HB3 LEU A 40 -0.515 16.229 0.522 1.00 1.00 H new ATOM 0 HG LEU A 40 1.133 13.726 0.061 1.00 1.00 H new ATOM 0 HD11 LEU A 40 3.090 15.180 0.445 1.00 1.00 H new ATOM 0 HD12 LEU A 40 2.182 15.670 -1.006 1.00 1.00 H new ATOM 0 HD13 LEU A 40 2.018 16.599 0.503 1.00 1.00 H new ATOM 0 HD21 LEU A 40 1.928 14.161 2.361 1.00 1.00 H new ATOM 0 HD22 LEU A 40 0.820 15.549 2.475 1.00 1.00 H new ATOM 0 HD23 LEU A 40 0.168 13.901 2.313 1.00 1.00 H new ATOM 736 N ALA A 41 -3.946 14.664 -0.060 1.00 1.00 N ATOM 737 CA ALA A 41 -5.215 15.372 0.018 1.00 1.00 C ATOM 738 C ALA A 41 -5.771 15.332 1.436 1.00 1.00 C ATOM 739 O ALA A 41 -6.563 16.190 1.831 1.00 1.00 O ATOM 740 CB ALA A 41 -6.212 14.776 -0.965 1.00 1.00 C ATOM 0 H ALA A 41 -4.014 13.716 -0.431 1.00 1.00 H new ATOM 0 HA ALA A 41 -5.044 16.415 -0.248 1.00 1.00 H new ATOM 0 HB1 ALA A 41 -7.157 15.315 -0.896 1.00 1.00 H new ATOM 0 HB2 ALA A 41 -5.819 14.860 -1.978 1.00 1.00 H new ATOM 0 HB3 ALA A 41 -6.375 13.725 -0.726 1.00 1.00 H new ATOM 746 N GLY A 42 -5.344 14.338 2.203 1.00 1.00 N ATOM 747 CA GLY A 42 -5.828 14.194 3.558 1.00 1.00 C ATOM 748 C GLY A 42 -4.907 13.351 4.418 1.00 1.00 C ATOM 749 O GLY A 42 -3.879 12.864 3.939 1.00 1.00 O ATOM 0 H GLY A 42 -4.671 13.630 1.909 1.00 1.00 H new ATOM 0 HA2 GLY A 42 -5.937 15.181 4.008 1.00 1.00 H new ATOM 0 HA3 GLY A 42 -6.819 13.740 3.540 1.00 1.00 H new ATOM 753 N PRO A 43 -5.252 13.168 5.699 1.00 1.00 N ATOM 754 CA PRO A 43 -4.465 12.368 6.641 1.00 1.00 C ATOM 755 C PRO A 43 -4.558 10.885 6.359 1.00 1.00 C ATOM 756 O PRO A 43 -5.501 10.415 5.721 1.00 1.00 O ATOM 757 CB PRO A 43 -5.073 12.707 8.014 1.00 1.00 C ATOM 758 CG PRO A 43 -6.007 13.846 7.774 1.00 1.00 C ATOM 759 CD PRO A 43 -6.439 13.736 6.344 1.00 1.00 C ATOM 0 HA PRO A 43 -3.402 12.597 6.574 1.00 1.00 H new ATOM 0 HB2 PRO A 43 -5.601 11.849 8.431 1.00 1.00 H new ATOM 0 HB3 PRO A 43 -4.297 12.981 8.729 1.00 1.00 H new ATOM 0 HG2 PRO A 43 -6.864 13.795 8.445 1.00 1.00 H new ATOM 0 HG3 PRO A 43 -5.514 14.800 7.960 1.00 1.00 H new ATOM 0 HD2 PRO A 43 -7.310 13.091 6.231 1.00 1.00 H new ATOM 0 HD3 PRO A 43 -6.704 14.706 5.924 1.00 1.00 H new ATOM 767 N PRO A 44 -3.566 10.124 6.844 1.00 1.00 N ATOM 768 CA PRO A 44 -3.419 8.719 6.496 1.00 1.00 C ATOM 769 C PRO A 44 -4.575 7.841 6.984 1.00 1.00 C ATOM 770 O PRO A 44 -4.730 6.707 6.533 1.00 1.00 O ATOM 771 CB PRO A 44 -2.105 8.299 7.169 1.00 1.00 C ATOM 772 CG PRO A 44 -1.411 9.573 7.511 1.00 1.00 C ATOM 773 CD PRO A 44 -2.498 10.576 7.750 1.00 1.00 C ATOM 0 HA PRO A 44 -3.419 8.590 5.414 1.00 1.00 H new ATOM 0 HB2 PRO A 44 -2.294 7.703 8.062 1.00 1.00 H new ATOM 0 HB3 PRO A 44 -1.499 7.688 6.500 1.00 1.00 H new ATOM 0 HG2 PRO A 44 -0.787 9.453 8.397 1.00 1.00 H new ATOM 0 HG3 PRO A 44 -0.756 9.892 6.700 1.00 1.00 H new ATOM 0 HD2 PRO A 44 -2.824 10.578 8.790 1.00 1.00 H new ATOM 0 HD3 PRO A 44 -2.172 11.589 7.516 1.00 1.00 H new ATOM 781 N ASN A 45 -5.377 8.364 7.907 1.00 1.00 N ATOM 782 CA ASN A 45 -6.524 7.624 8.430 1.00 1.00 C ATOM 783 C ASN A 45 -7.790 7.932 7.638 1.00 1.00 C ATOM 784 O ASN A 45 -8.815 7.273 7.815 1.00 1.00 O ATOM 785 CB ASN A 45 -6.759 7.940 9.911 1.00 1.00 C ATOM 786 CG ASN A 45 -5.746 7.285 10.833 1.00 1.00 C ATOM 787 OD1 ASN A 45 -5.399 7.833 11.880 1.00 1.00 O ATOM 788 ND2 ASN A 45 -5.274 6.102 10.466 1.00 1.00 N ATOM 0 H ASN A 45 -5.256 9.294 8.308 1.00 1.00 H new ATOM 0 HA ASN A 45 -6.293 6.564 8.327 1.00 1.00 H new ATOM 0 HB2 ASN A 45 -6.726 9.020 10.055 1.00 1.00 H new ATOM 0 HB3 ASN A 45 -7.760 7.612 10.191 1.00 1.00 H new ATOM 0 HD21 ASN A 45 -4.601 5.616 11.058 1.00 1.00 H new ATOM 0 HD22 ASN A 45 -5.584 5.678 9.592 1.00 1.00 H new ATOM 795 N ASP A 46 -7.720 8.939 6.776 1.00 1.00 N ATOM 796 CA ASP A 46 -8.861 9.310 5.943 1.00 1.00 C ATOM 797 C ASP A 46 -8.864 8.463 4.680 1.00 1.00 C ATOM 798 O ASP A 46 -9.915 8.105 4.145 1.00 1.00 O ATOM 799 CB ASP A 46 -8.807 10.797 5.583 1.00 1.00 C ATOM 800 CG ASP A 46 -10.030 11.257 4.813 1.00 1.00 C ATOM 801 OD1 ASP A 46 -11.043 11.609 5.454 1.00 1.00 O ATOM 802 OD2 ASP A 46 -9.981 11.288 3.570 1.00 1.00 O ATOM 0 H ASP A 46 -6.889 9.513 6.634 1.00 1.00 H new ATOM 0 HA ASP A 46 -9.779 9.129 6.502 1.00 1.00 H new ATOM 0 HB2 ASP A 46 -8.715 11.385 6.496 1.00 1.00 H new ATOM 0 HB3 ASP A 46 -7.914 10.991 4.988 1.00 1.00 H new ATOM 807 N PHE A 47 -7.667 8.144 4.217 1.00 1.00 N ATOM 808 CA PHE A 47 -7.489 7.214 3.116 1.00 1.00 C ATOM 809 C PHE A 47 -7.203 5.827 3.676 1.00 1.00 C ATOM 810 O PHE A 47 -7.234 5.626 4.892 1.00 1.00 O ATOM 811 CB PHE A 47 -6.333 7.657 2.215 1.00 1.00 C ATOM 812 CG PHE A 47 -6.573 8.959 1.502 1.00 1.00 C ATOM 813 CD1 PHE A 47 -6.338 10.169 2.136 1.00 1.00 C ATOM 814 CD2 PHE A 47 -7.029 8.970 0.195 1.00 1.00 C ATOM 815 CE1 PHE A 47 -6.557 11.363 1.478 1.00 1.00 C ATOM 816 CE2 PHE A 47 -7.250 10.162 -0.467 1.00 1.00 C ATOM 817 CZ PHE A 47 -7.013 11.360 0.175 1.00 1.00 C ATOM 0 H PHE A 47 -6.796 8.520 4.592 1.00 1.00 H new ATOM 0 HA PHE A 47 -8.401 7.193 2.519 1.00 1.00 H new ATOM 0 HB2 PHE A 47 -5.430 7.747 2.819 1.00 1.00 H new ATOM 0 HB3 PHE A 47 -6.145 6.879 1.475 1.00 1.00 H new ATOM 0 HD1 PHE A 47 -5.980 10.178 3.155 1.00 1.00 H new ATOM 0 HD2 PHE A 47 -7.214 8.035 -0.313 1.00 1.00 H new ATOM 0 HE1 PHE A 47 -6.371 12.300 1.983 1.00 1.00 H new ATOM 0 HE2 PHE A 47 -7.608 10.156 -1.486 1.00 1.00 H new ATOM 0 HZ PHE A 47 -7.184 12.293 -0.341 1.00 1.00 H new ATOM 827 N GLY A 48 -6.939 4.872 2.806 1.00 1.00 N ATOM 828 CA GLY A 48 -6.578 3.551 3.263 1.00 1.00 C ATOM 829 C GLY A 48 -6.067 2.674 2.145 1.00 1.00 C ATOM 830 O GLY A 48 -6.348 2.925 0.972 1.00 1.00 O ATOM 0 H GLY A 48 -6.968 4.986 1.793 1.00 1.00 H new ATOM 0 HA2 GLY A 48 -5.813 3.633 4.035 1.00 1.00 H new ATOM 0 HA3 GLY A 48 -7.446 3.079 3.723 1.00 1.00 H new ATOM 834 N LEU A 49 -5.306 1.655 2.507 1.00 1.00 N ATOM 835 CA LEU A 49 -4.831 0.687 1.539 1.00 1.00 C ATOM 836 C LEU A 49 -5.873 -0.398 1.342 1.00 1.00 C ATOM 837 O LEU A 49 -6.245 -1.101 2.286 1.00 1.00 O ATOM 838 CB LEU A 49 -3.503 0.070 1.981 1.00 1.00 C ATOM 839 CG LEU A 49 -2.293 1.002 1.903 1.00 1.00 C ATOM 840 CD1 LEU A 49 -1.041 0.278 2.367 1.00 1.00 C ATOM 841 CD2 LEU A 49 -2.109 1.520 0.483 1.00 1.00 C ATOM 0 H LEU A 49 -5.005 1.478 3.465 1.00 1.00 H new ATOM 0 HA LEU A 49 -4.664 1.202 0.593 1.00 1.00 H new ATOM 0 HB2 LEU A 49 -3.607 -0.279 3.008 1.00 1.00 H new ATOM 0 HB3 LEU A 49 -3.306 -0.807 1.365 1.00 1.00 H new ATOM 0 HG LEU A 49 -2.469 1.853 2.561 1.00 1.00 H new ATOM 0 HD11 LEU A 49 -0.187 0.953 2.306 1.00 1.00 H new ATOM 0 HD12 LEU A 49 -1.172 -0.050 3.398 1.00 1.00 H new ATOM 0 HD13 LEU A 49 -0.865 -0.589 1.730 1.00 1.00 H new ATOM 0 HD21 LEU A 49 -1.244 2.182 0.446 1.00 1.00 H new ATOM 0 HD22 LEU A 49 -1.952 0.680 -0.193 1.00 1.00 H new ATOM 0 HD23 LEU A 49 -2.999 2.070 0.178 1.00 1.00 H new ATOM 853 N PHE A 50 -6.350 -0.516 0.121 1.00 1.00 N ATOM 854 CA PHE A 50 -7.363 -1.497 -0.208 1.00 1.00 C ATOM 855 C PHE A 50 -6.721 -2.663 -0.940 1.00 1.00 C ATOM 856 O PHE A 50 -6.179 -2.495 -2.034 1.00 1.00 O ATOM 857 CB PHE A 50 -8.461 -0.855 -1.061 1.00 1.00 C ATOM 858 CG PHE A 50 -9.532 -1.812 -1.495 1.00 1.00 C ATOM 859 CD1 PHE A 50 -10.493 -2.251 -0.599 1.00 1.00 C ATOM 860 CD2 PHE A 50 -9.575 -2.273 -2.800 1.00 1.00 C ATOM 861 CE1 PHE A 50 -11.477 -3.134 -0.998 1.00 1.00 C ATOM 862 CE2 PHE A 50 -10.556 -3.155 -3.203 1.00 1.00 C ATOM 863 CZ PHE A 50 -11.507 -3.588 -2.303 1.00 1.00 C ATOM 0 H PHE A 50 -6.050 0.060 -0.666 1.00 1.00 H new ATOM 0 HA PHE A 50 -7.821 -1.869 0.709 1.00 1.00 H new ATOM 0 HB2 PHE A 50 -8.920 -0.044 -0.495 1.00 1.00 H new ATOM 0 HB3 PHE A 50 -8.006 -0.409 -1.945 1.00 1.00 H new ATOM 0 HD1 PHE A 50 -10.472 -1.899 0.422 1.00 1.00 H new ATOM 0 HD2 PHE A 50 -8.833 -1.939 -3.510 1.00 1.00 H new ATOM 0 HE1 PHE A 50 -12.222 -3.469 -0.291 1.00 1.00 H new ATOM 0 HE2 PHE A 50 -10.579 -3.507 -4.224 1.00 1.00 H new ATOM 0 HZ PHE A 50 -12.274 -4.281 -2.617 1.00 1.00 H new ATOM 873 N LEU A 51 -6.760 -3.833 -0.322 1.00 1.00 N ATOM 874 CA LEU A 51 -6.180 -5.023 -0.916 1.00 1.00 C ATOM 875 C LEU A 51 -7.046 -5.490 -2.075 1.00 1.00 C ATOM 876 O LEU A 51 -8.093 -6.101 -1.872 1.00 1.00 O ATOM 877 CB LEU A 51 -6.046 -6.135 0.132 1.00 1.00 C ATOM 878 CG LEU A 51 -5.327 -7.401 -0.343 1.00 1.00 C ATOM 879 CD1 LEU A 51 -3.888 -7.089 -0.724 1.00 1.00 C ATOM 880 CD2 LEU A 51 -5.375 -8.474 0.733 1.00 1.00 C ATOM 0 H LEU A 51 -7.188 -3.982 0.592 1.00 1.00 H new ATOM 0 HA LEU A 51 -5.184 -4.784 -1.289 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -5.512 -5.736 0.994 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.043 -6.411 0.474 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.840 -7.777 -1.228 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -3.394 -8.001 -1.059 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -3.876 -6.354 -1.529 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -3.361 -6.688 0.142 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -4.860 -9.367 0.380 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -4.887 -8.106 1.635 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.413 -8.719 0.957 1.00 1.00 H new ATOM 892 N SER A 52 -6.618 -5.170 -3.284 1.00 1.00 N ATOM 893 CA SER A 52 -7.368 -5.512 -4.477 1.00 1.00 C ATOM 894 C SER A 52 -7.245 -6.999 -4.783 1.00 1.00 C ATOM 895 O SER A 52 -6.222 -7.624 -4.488 1.00 1.00 O ATOM 896 CB SER A 52 -6.866 -4.683 -5.654 1.00 1.00 C ATOM 897 OG SER A 52 -6.873 -3.307 -5.328 1.00 1.00 O ATOM 0 H SER A 52 -5.748 -4.670 -3.464 1.00 1.00 H new ATOM 0 HA SER A 52 -8.421 -5.289 -4.306 1.00 1.00 H new ATOM 0 HB2 SER A 52 -5.856 -4.994 -5.922 1.00 1.00 H new ATOM 0 HB3 SER A 52 -7.496 -4.860 -6.526 1.00 1.00 H new ATOM 0 HG SER A 52 -7.784 -3.031 -5.094 1.00 1.00 H new ATOM 903 N ASP A 53 -8.289 -7.556 -5.369 1.00 1.00 N ATOM 904 CA ASP A 53 -8.330 -8.975 -5.673 1.00 1.00 C ATOM 905 C ASP A 53 -9.032 -9.186 -7.009 1.00 1.00 C ATOM 906 O ASP A 53 -9.635 -8.254 -7.547 1.00 1.00 O ATOM 907 CB ASP A 53 -9.073 -9.718 -4.554 1.00 1.00 C ATOM 908 CG ASP A 53 -8.884 -11.222 -4.600 1.00 1.00 C ATOM 909 OD1 ASP A 53 -9.588 -11.897 -5.377 1.00 1.00 O ATOM 910 OD2 ASP A 53 -8.035 -11.737 -3.848 1.00 1.00 O ATOM 0 H ASP A 53 -9.126 -7.043 -5.646 1.00 1.00 H new ATOM 0 HA ASP A 53 -7.316 -9.368 -5.741 1.00 1.00 H new ATOM 0 HB2 ASP A 53 -8.728 -9.345 -3.589 1.00 1.00 H new ATOM 0 HB3 ASP A 53 -10.137 -9.491 -4.621 1.00 1.00 H new ATOM 915 N ASP A 54 -8.945 -10.398 -7.544 1.00 1.00 N ATOM 916 CA ASP A 54 -9.668 -10.759 -8.757 1.00 1.00 C ATOM 917 C ASP A 54 -11.164 -10.736 -8.476 1.00 1.00 C ATOM 918 O ASP A 54 -11.984 -10.509 -9.369 1.00 1.00 O ATOM 919 CB ASP A 54 -9.250 -12.150 -9.243 1.00 1.00 C ATOM 920 CG ASP A 54 -7.769 -12.243 -9.550 1.00 1.00 C ATOM 921 OD1 ASP A 54 -6.982 -12.533 -8.625 1.00 1.00 O ATOM 922 OD2 ASP A 54 -7.381 -12.024 -10.719 1.00 1.00 O ATOM 0 H ASP A 54 -8.378 -11.151 -7.154 1.00 1.00 H new ATOM 0 HA ASP A 54 -9.429 -10.038 -9.539 1.00 1.00 H new ATOM 0 HB2 ASP A 54 -9.506 -12.888 -8.483 1.00 1.00 H new ATOM 0 HB3 ASP A 54 -9.819 -12.404 -10.138 1.00 1.00 H new ATOM 927 N ASP A 55 -11.503 -10.981 -7.220 1.00 1.00 N ATOM 928 CA ASP A 55 -12.873 -10.871 -6.750 1.00 1.00 C ATOM 929 C ASP A 55 -13.013 -9.631 -5.872 1.00 1.00 C ATOM 930 O ASP A 55 -12.300 -9.484 -4.880 1.00 1.00 O ATOM 931 CB ASP A 55 -13.272 -12.123 -5.966 1.00 1.00 C ATOM 932 CG ASP A 55 -14.676 -12.036 -5.404 1.00 1.00 C ATOM 933 OD1 ASP A 55 -14.834 -11.555 -4.267 1.00 1.00 O ATOM 934 OD2 ASP A 55 -15.629 -12.453 -6.096 1.00 1.00 O ATOM 0 H ASP A 55 -10.837 -11.261 -6.500 1.00 1.00 H new ATOM 0 HA ASP A 55 -13.537 -10.780 -7.609 1.00 1.00 H new ATOM 0 HB2 ASP A 55 -13.199 -12.994 -6.618 1.00 1.00 H new ATOM 0 HB3 ASP A 55 -12.567 -12.276 -5.149 1.00 1.00 H new ATOM 939 N PRO A 56 -13.931 -8.722 -6.230 1.00 1.00 N ATOM 940 CA PRO A 56 -14.109 -7.444 -5.527 1.00 1.00 C ATOM 941 C PRO A 56 -14.505 -7.610 -4.061 1.00 1.00 C ATOM 942 O PRO A 56 -14.268 -6.722 -3.243 1.00 1.00 O ATOM 943 CB PRO A 56 -15.232 -6.752 -6.308 1.00 1.00 C ATOM 944 CG PRO A 56 -15.923 -7.844 -7.049 1.00 1.00 C ATOM 945 CD PRO A 56 -14.865 -8.861 -7.358 1.00 1.00 C ATOM 0 HA PRO A 56 -13.177 -6.880 -5.497 1.00 1.00 H new ATOM 0 HB2 PRO A 56 -15.918 -6.236 -5.637 1.00 1.00 H new ATOM 0 HB3 PRO A 56 -14.832 -6.003 -6.992 1.00 1.00 H new ATOM 0 HG2 PRO A 56 -16.721 -8.280 -6.448 1.00 1.00 H new ATOM 0 HG3 PRO A 56 -16.382 -7.467 -7.963 1.00 1.00 H new ATOM 0 HD2 PRO A 56 -15.278 -9.868 -7.418 1.00 1.00 H new ATOM 0 HD3 PRO A 56 -14.378 -8.659 -8.312 1.00 1.00 H new ATOM 953 N LYS A 57 -15.090 -8.752 -3.726 1.00 1.00 N ATOM 954 CA LYS A 57 -15.535 -8.998 -2.364 1.00 1.00 C ATOM 955 C LYS A 57 -14.397 -9.591 -1.537 1.00 1.00 C ATOM 956 O LYS A 57 -14.398 -9.510 -0.310 1.00 1.00 O ATOM 957 CB LYS A 57 -16.762 -9.915 -2.358 1.00 1.00 C ATOM 958 CG LYS A 57 -17.417 -10.061 -0.992 1.00 1.00 C ATOM 959 CD LYS A 57 -18.762 -10.761 -1.095 1.00 1.00 C ATOM 960 CE LYS A 57 -19.432 -10.886 0.264 1.00 1.00 C ATOM 961 NZ LYS A 57 -20.827 -11.384 0.145 1.00 1.00 N ATOM 0 H LYS A 57 -15.266 -9.518 -4.376 1.00 1.00 H new ATOM 0 HA LYS A 57 -15.825 -8.050 -1.911 1.00 1.00 H new ATOM 0 HB2 LYS A 57 -17.497 -9.526 -3.063 1.00 1.00 H new ATOM 0 HB3 LYS A 57 -16.468 -10.902 -2.716 1.00 1.00 H new ATOM 0 HG2 LYS A 57 -16.761 -10.626 -0.330 1.00 1.00 H new ATOM 0 HG3 LYS A 57 -17.551 -9.077 -0.544 1.00 1.00 H new ATOM 0 HD2 LYS A 57 -19.411 -10.206 -1.772 1.00 1.00 H new ATOM 0 HD3 LYS A 57 -18.625 -11.752 -1.527 1.00 1.00 H new ATOM 0 HE2 LYS A 57 -18.856 -11.565 0.893 1.00 1.00 H new ATOM 0 HE3 LYS A 57 -19.433 -9.915 0.760 1.00 1.00 H new ATOM 0 HZ1 LYS A 57 -21.252 -11.456 1.092 1.00 1.00 H new ATOM 0 HZ2 LYS A 57 -21.383 -10.723 -0.434 1.00 1.00 H new ATOM 0 HZ3 LYS A 57 -20.824 -12.321 -0.306 1.00 1.00 H new ATOM 975 N LYS A 58 -13.418 -10.179 -2.217 1.00 1.00 N ATOM 976 CA LYS A 58 -12.211 -10.660 -1.552 1.00 1.00 C ATOM 977 C LYS A 58 -11.290 -9.491 -1.229 1.00 1.00 C ATOM 978 O LYS A 58 -10.341 -9.622 -0.455 1.00 1.00 O ATOM 979 CB LYS A 58 -11.467 -11.677 -2.417 1.00 1.00 C ATOM 980 CG LYS A 58 -12.152 -13.032 -2.522 1.00 1.00 C ATOM 981 CD LYS A 58 -11.339 -14.008 -3.366 1.00 1.00 C ATOM 982 CE LYS A 58 -9.959 -14.262 -2.771 1.00 1.00 C ATOM 983 NZ LYS A 58 -9.165 -15.222 -3.581 1.00 1.00 N ATOM 0 H LYS A 58 -13.436 -10.334 -3.225 1.00 1.00 H new ATOM 0 HA LYS A 58 -12.513 -11.153 -0.628 1.00 1.00 H new ATOM 0 HB2 LYS A 58 -11.347 -11.265 -3.419 1.00 1.00 H new ATOM 0 HB3 LYS A 58 -10.466 -11.820 -2.009 1.00 1.00 H new ATOM 0 HG2 LYS A 58 -12.296 -13.446 -1.524 1.00 1.00 H new ATOM 0 HG3 LYS A 58 -13.142 -12.907 -2.961 1.00 1.00 H new ATOM 0 HD2 LYS A 58 -11.878 -14.952 -3.449 1.00 1.00 H new ATOM 0 HD3 LYS A 58 -11.232 -13.612 -4.376 1.00 1.00 H new ATOM 0 HE2 LYS A 58 -9.418 -13.318 -2.696 1.00 1.00 H new ATOM 0 HE3 LYS A 58 -10.068 -14.648 -1.757 1.00 1.00 H new ATOM 0 HZ1 LYS A 58 -8.235 -15.364 -3.138 1.00 1.00 H new ATOM 0 HZ2 LYS A 58 -9.667 -16.132 -3.631 1.00 1.00 H new ATOM 0 HZ3 LYS A 58 -9.037 -14.843 -4.541 1.00 1.00 H new ATOM 997 N GLY A 59 -11.572 -8.351 -1.848 1.00 1.00 N ATOM 998 CA GLY A 59 -10.834 -7.144 -1.555 1.00 1.00 C ATOM 999 C GLY A 59 -11.232 -6.565 -0.215 1.00 1.00 C ATOM 1000 O GLY A 59 -12.416 -6.341 0.039 1.00 1.00 O ATOM 0 H GLY A 59 -12.303 -8.244 -2.551 1.00 1.00 H new ATOM 0 HA2 GLY A 59 -9.766 -7.360 -1.557 1.00 1.00 H new ATOM 0 HA3 GLY A 59 -11.012 -6.408 -2.339 1.00 1.00 H new ATOM 1004 N ILE A 60 -10.255 -6.326 0.644 1.00 1.00 N ATOM 1005 CA ILE A 60 -10.531 -5.868 1.999 1.00 1.00 C ATOM 1006 C ILE A 60 -9.719 -4.627 2.342 1.00 1.00 C ATOM 1007 O ILE A 60 -8.689 -4.353 1.720 1.00 1.00 O ATOM 1008 CB ILE A 60 -10.221 -6.966 3.040 1.00 1.00 C ATOM 1009 CG1 ILE A 60 -8.745 -7.376 2.959 1.00 1.00 C ATOM 1010 CG2 ILE A 60 -11.131 -8.172 2.835 1.00 1.00 C ATOM 1011 CD1 ILE A 60 -8.342 -8.423 3.976 1.00 1.00 C ATOM 0 H ILE A 60 -9.264 -6.441 0.429 1.00 1.00 H new ATOM 0 HA ILE A 60 -11.593 -5.626 2.034 1.00 1.00 H new ATOM 0 HB ILE A 60 -10.411 -6.565 4.035 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -8.538 -7.757 1.959 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -8.124 -6.491 3.098 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -10.897 -8.935 3.578 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -12.171 -7.866 2.944 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -10.976 -8.579 1.836 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -7.285 -8.660 3.855 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -8.515 -8.039 4.981 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -8.936 -9.325 3.825 1.00 1.00 H new ATOM 1023 N TRP A 61 -10.192 -3.876 3.327 1.00 1.00 N ATOM 1024 CA TRP A 61 -9.456 -2.733 3.839 1.00 1.00 C ATOM 1025 C TRP A 61 -8.465 -3.188 4.901 1.00 1.00 C ATOM 1026 O TRP A 61 -8.847 -3.825 5.885 1.00 1.00 O ATOM 1027 CB TRP A 61 -10.405 -1.688 4.424 1.00 1.00 C ATOM 1028 CG TRP A 61 -11.214 -0.973 3.393 1.00 1.00 C ATOM 1029 CD1 TRP A 61 -12.482 -1.275 3.011 1.00 1.00 C ATOM 1030 CD2 TRP A 61 -10.813 0.158 2.612 1.00 1.00 C ATOM 1031 NE1 TRP A 61 -12.904 -0.397 2.042 1.00 1.00 N ATOM 1032 CE2 TRP A 61 -11.896 0.491 1.778 1.00 1.00 C ATOM 1033 CE3 TRP A 61 -9.645 0.923 2.537 1.00 1.00 C ATOM 1034 CZ2 TRP A 61 -11.847 1.556 0.883 1.00 1.00 C ATOM 1035 CZ3 TRP A 61 -9.601 1.978 1.646 1.00 1.00 C ATOM 1036 CH2 TRP A 61 -10.691 2.284 0.833 1.00 1.00 C ATOM 0 H TRP A 61 -11.087 -4.041 3.788 1.00 1.00 H new ATOM 0 HA TRP A 61 -8.914 -2.276 3.011 1.00 1.00 H new ATOM 0 HB2 TRP A 61 -11.079 -2.175 5.129 1.00 1.00 H new ATOM 0 HB3 TRP A 61 -9.825 -0.958 4.989 1.00 1.00 H new ATOM 0 HD1 TRP A 61 -13.072 -2.087 3.410 1.00 1.00 H new ATOM 0 HE1 TRP A 61 -13.820 -0.405 1.592 1.00 1.00 H new ATOM 0 HE3 TRP A 61 -8.795 0.694 3.163 1.00 1.00 H new ATOM 0 HZ2 TRP A 61 -12.690 1.798 0.252 1.00 1.00 H new ATOM 0 HZ3 TRP A 61 -8.705 2.577 1.578 1.00 1.00 H new ATOM 0 HH2 TRP A 61 -10.621 3.116 0.148 1.00 1.00 H new ATOM 1047 N LEU A 62 -7.199 -2.864 4.700 1.00 1.00 N ATOM 1048 CA LEU A 62 -6.150 -3.306 5.608 1.00 1.00 C ATOM 1049 C LEU A 62 -6.197 -2.516 6.914 1.00 1.00 C ATOM 1050 O LEU A 62 -6.361 -1.293 6.902 1.00 1.00 O ATOM 1051 CB LEU A 62 -4.780 -3.150 4.945 1.00 1.00 C ATOM 1052 CG LEU A 62 -4.646 -3.780 3.557 1.00 1.00 C ATOM 1053 CD1 LEU A 62 -3.221 -3.642 3.051 1.00 1.00 C ATOM 1054 CD2 LEU A 62 -5.064 -5.243 3.580 1.00 1.00 C ATOM 0 H LEU A 62 -6.871 -2.297 3.918 1.00 1.00 H new ATOM 0 HA LEU A 62 -6.315 -4.359 5.838 1.00 1.00 H new ATOM 0 HB2 LEU A 62 -4.553 -2.087 4.866 1.00 1.00 H new ATOM 0 HB3 LEU A 62 -4.027 -3.589 5.599 1.00 1.00 H new ATOM 0 HG LEU A 62 -5.312 -3.250 2.876 1.00 1.00 H new ATOM 0 HD11 LEU A 62 -3.140 -4.095 2.063 1.00 1.00 H new ATOM 0 HD12 LEU A 62 -2.957 -2.586 2.989 1.00 1.00 H new ATOM 0 HD13 LEU A 62 -2.541 -4.146 3.737 1.00 1.00 H new ATOM 0 HD21 LEU A 62 -4.959 -5.667 2.581 1.00 1.00 H new ATOM 0 HD22 LEU A 62 -4.429 -5.792 4.276 1.00 1.00 H new ATOM 0 HD23 LEU A 62 -6.103 -5.319 3.900 1.00 1.00 H new ATOM 1066 N GLU A 63 -6.068 -3.221 8.032 1.00 1.00 N ATOM 1067 CA GLU A 63 -6.101 -2.600 9.351 1.00 1.00 C ATOM 1068 C GLU A 63 -4.844 -1.771 9.594 1.00 1.00 C ATOM 1069 O GLU A 63 -3.728 -2.252 9.414 1.00 1.00 O ATOM 1070 CB GLU A 63 -6.240 -3.669 10.437 1.00 1.00 C ATOM 1071 CG GLU A 63 -7.549 -4.436 10.376 1.00 1.00 C ATOM 1072 CD GLU A 63 -7.611 -5.578 11.371 1.00 1.00 C ATOM 1073 OE1 GLU A 63 -7.699 -5.311 12.587 1.00 1.00 O ATOM 1074 OE2 GLU A 63 -7.585 -6.752 10.940 1.00 1.00 O ATOM 0 H GLU A 63 -5.938 -4.233 8.050 1.00 1.00 H new ATOM 0 HA GLU A 63 -6.965 -1.936 9.392 1.00 1.00 H new ATOM 0 HB2 GLU A 63 -5.412 -4.373 10.349 1.00 1.00 H new ATOM 0 HB3 GLU A 63 -6.153 -3.195 11.414 1.00 1.00 H new ATOM 0 HG2 GLU A 63 -8.375 -3.751 10.566 1.00 1.00 H new ATOM 0 HG3 GLU A 63 -7.687 -4.830 9.369 1.00 1.00 H new ATOM 1081 N ALA A 64 -5.042 -0.527 10.012 1.00 1.00 N ATOM 1082 CA ALA A 64 -3.943 0.393 10.284 1.00 1.00 C ATOM 1083 C ALA A 64 -3.000 -0.170 11.343 1.00 1.00 C ATOM 1084 O ALA A 64 -1.783 -0.018 11.245 1.00 1.00 O ATOM 1085 CB ALA A 64 -4.498 1.734 10.738 1.00 1.00 C ATOM 0 H ALA A 64 -5.967 -0.127 10.172 1.00 1.00 H new ATOM 0 HA ALA A 64 -3.373 0.527 9.365 1.00 1.00 H new ATOM 0 HB1 ALA A 64 -3.675 2.419 10.940 1.00 1.00 H new ATOM 0 HB2 ALA A 64 -5.132 2.150 9.954 1.00 1.00 H new ATOM 0 HB3 ALA A 64 -5.086 1.596 11.645 1.00 1.00 H new ATOM 1091 N GLY A 65 -3.570 -0.837 12.339 1.00 1.00 N ATOM 1092 CA GLY A 65 -2.782 -1.397 13.420 1.00 1.00 C ATOM 1093 C GLY A 65 -2.148 -2.725 13.055 1.00 1.00 C ATOM 1094 O GLY A 65 -1.698 -3.467 13.929 1.00 1.00 O ATOM 0 H GLY A 65 -4.574 -1.001 12.417 1.00 1.00 H new ATOM 0 HA2 GLY A 65 -2.000 -0.690 13.698 1.00 1.00 H new ATOM 0 HA3 GLY A 65 -3.417 -1.531 14.296 1.00 1.00 H new ATOM 1098 N LYS A 66 -2.111 -3.027 11.765 1.00 1.00 N ATOM 1099 CA LYS A 66 -1.475 -4.238 11.276 1.00 1.00 C ATOM 1100 C LYS A 66 -0.376 -3.885 10.285 1.00 1.00 C ATOM 1101 O LYS A 66 -0.335 -2.771 9.758 1.00 1.00 O ATOM 1102 CB LYS A 66 -2.506 -5.165 10.622 1.00 1.00 C ATOM 1103 CG LYS A 66 -3.552 -5.684 11.593 1.00 1.00 C ATOM 1104 CD LYS A 66 -2.921 -6.534 12.681 1.00 1.00 C ATOM 1105 CE LYS A 66 -3.907 -6.849 13.791 1.00 1.00 C ATOM 1106 NZ LYS A 66 -3.273 -7.631 14.886 1.00 1.00 N ATOM 0 H LYS A 66 -2.518 -2.443 11.034 1.00 1.00 H new ATOM 0 HA LYS A 66 -1.032 -4.764 12.122 1.00 1.00 H new ATOM 0 HB2 LYS A 66 -3.005 -4.629 9.814 1.00 1.00 H new ATOM 0 HB3 LYS A 66 -1.988 -6.011 10.171 1.00 1.00 H new ATOM 0 HG2 LYS A 66 -4.080 -4.844 12.045 1.00 1.00 H new ATOM 0 HG3 LYS A 66 -4.293 -6.273 11.052 1.00 1.00 H new ATOM 0 HD2 LYS A 66 -2.552 -7.464 12.248 1.00 1.00 H new ATOM 0 HD3 LYS A 66 -2.060 -6.012 13.097 1.00 1.00 H new ATOM 0 HE2 LYS A 66 -4.310 -5.920 14.194 1.00 1.00 H new ATOM 0 HE3 LYS A 66 -4.747 -7.410 13.383 1.00 1.00 H new ATOM 0 HZ1 LYS A 66 -3.977 -7.827 15.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 66 -2.911 -8.529 14.506 1.00 1.00 H new ATOM 0 HZ3 LYS A 66 -2.487 -7.085 15.293 1.00 1.00 H new ATOM 1120 N ALA A 67 0.521 -4.828 10.049 1.00 1.00 N ATOM 1121 CA ALA A 67 1.614 -4.623 9.115 1.00 1.00 C ATOM 1122 C ALA A 67 1.237 -5.127 7.729 1.00 1.00 C ATOM 1123 O ALA A 67 0.228 -5.809 7.558 1.00 1.00 O ATOM 1124 CB ALA A 67 2.870 -5.321 9.610 1.00 1.00 C ATOM 0 H ALA A 67 0.513 -5.746 10.493 1.00 1.00 H new ATOM 0 HA ALA A 67 1.814 -3.554 9.048 1.00 1.00 H new ATOM 0 HB1 ALA A 67 3.681 -5.158 8.900 1.00 1.00 H new ATOM 0 HB2 ALA A 67 3.152 -4.916 10.582 1.00 1.00 H new ATOM 0 HB3 ALA A 67 2.679 -6.390 9.704 1.00 1.00 H new ATOM 1130 N LEU A 68 2.051 -4.786 6.743 1.00 1.00 N ATOM 1131 CA LEU A 68 1.811 -5.210 5.371 1.00 1.00 C ATOM 1132 C LEU A 68 2.068 -6.707 5.208 1.00 1.00 C ATOM 1133 O LEU A 68 1.270 -7.423 4.598 1.00 1.00 O ATOM 1134 CB LEU A 68 2.695 -4.410 4.415 1.00 1.00 C ATOM 1135 CG LEU A 68 2.495 -2.896 4.467 1.00 1.00 C ATOM 1136 CD1 LEU A 68 3.431 -2.207 3.492 1.00 1.00 C ATOM 1137 CD2 LEU A 68 1.049 -2.535 4.161 1.00 1.00 C ATOM 0 H LEU A 68 2.887 -4.215 6.867 1.00 1.00 H new ATOM 0 HA LEU A 68 0.765 -5.020 5.130 1.00 1.00 H new ATOM 0 HB2 LEU A 68 3.739 -4.632 4.637 1.00 1.00 H new ATOM 0 HB3 LEU A 68 2.506 -4.752 3.397 1.00 1.00 H new ATOM 0 HG LEU A 68 2.728 -2.552 5.475 1.00 1.00 H new ATOM 0 HD11 LEU A 68 3.277 -1.129 3.540 1.00 1.00 H new ATOM 0 HD12 LEU A 68 4.464 -2.438 3.754 1.00 1.00 H new ATOM 0 HD13 LEU A 68 3.226 -2.558 2.481 1.00 1.00 H new ATOM 0 HD21 LEU A 68 0.927 -1.453 4.203 1.00 1.00 H new ATOM 0 HD22 LEU A 68 0.788 -2.891 3.164 1.00 1.00 H new ATOM 0 HD23 LEU A 68 0.394 -3.002 4.896 1.00 1.00 H new ATOM 1149 N ASP A 69 3.176 -7.181 5.779 1.00 1.00 N ATOM 1150 CA ASP A 69 3.529 -8.605 5.736 1.00 1.00 C ATOM 1151 C ASP A 69 2.432 -9.456 6.370 1.00 1.00 C ATOM 1152 O ASP A 69 2.218 -10.609 5.989 1.00 1.00 O ATOM 1153 CB ASP A 69 4.860 -8.834 6.462 1.00 1.00 C ATOM 1154 CG ASP A 69 5.189 -10.301 6.664 1.00 1.00 C ATOM 1155 OD1 ASP A 69 5.744 -10.932 5.739 1.00 1.00 O ATOM 1156 OD2 ASP A 69 4.918 -10.825 7.762 1.00 1.00 O ATOM 0 H ASP A 69 3.848 -6.599 6.279 1.00 1.00 H new ATOM 0 HA ASP A 69 3.633 -8.904 4.693 1.00 1.00 H new ATOM 0 HB2 ASP A 69 5.662 -8.364 5.893 1.00 1.00 H new ATOM 0 HB3 ASP A 69 4.826 -8.339 7.433 1.00 1.00 H new ATOM 1161 N TYR A 70 1.720 -8.854 7.314 1.00 1.00 N ATOM 1162 CA TYR A 70 0.639 -9.515 8.036 1.00 1.00 C ATOM 1163 C TYR A 70 -0.421 -10.050 7.073 1.00 1.00 C ATOM 1164 O TYR A 70 -1.008 -11.106 7.304 1.00 1.00 O ATOM 1165 CB TYR A 70 0.003 -8.513 9.003 1.00 1.00 C ATOM 1166 CG TYR A 70 -1.003 -9.102 9.966 1.00 1.00 C ATOM 1167 CD1 TYR A 70 -0.589 -9.696 11.153 1.00 1.00 C ATOM 1168 CD2 TYR A 70 -2.366 -9.045 9.703 1.00 1.00 C ATOM 1169 CE1 TYR A 70 -1.503 -10.218 12.046 1.00 1.00 C ATOM 1170 CE2 TYR A 70 -3.285 -9.562 10.593 1.00 1.00 C ATOM 1171 CZ TYR A 70 -2.848 -10.148 11.763 1.00 1.00 C ATOM 1172 OH TYR A 70 -3.763 -10.658 12.656 1.00 1.00 O ATOM 0 H TYR A 70 1.877 -7.888 7.602 1.00 1.00 H new ATOM 0 HA TYR A 70 1.049 -10.361 8.587 1.00 1.00 H new ATOM 0 HB2 TYR A 70 0.795 -8.033 9.578 1.00 1.00 H new ATOM 0 HB3 TYR A 70 -0.487 -7.732 8.422 1.00 1.00 H new ATOM 0 HD1 TYR A 70 0.465 -9.750 11.380 1.00 1.00 H new ATOM 0 HD2 TYR A 70 -2.712 -8.589 8.787 1.00 1.00 H new ATOM 0 HE1 TYR A 70 -1.164 -10.679 12.962 1.00 1.00 H new ATOM 0 HE2 TYR A 70 -4.341 -9.508 10.375 1.00 1.00 H new ATOM 0 HH TYR A 70 -4.669 -10.528 12.306 1.00 1.00 H new ATOM 1182 N TYR A 71 -0.641 -9.326 5.983 1.00 1.00 N ATOM 1183 CA TYR A 71 -1.702 -9.659 5.044 1.00 1.00 C ATOM 1184 C TYR A 71 -1.210 -10.534 3.894 1.00 1.00 C ATOM 1185 O TYR A 71 -1.937 -10.753 2.925 1.00 1.00 O ATOM 1186 CB TYR A 71 -2.339 -8.382 4.508 1.00 1.00 C ATOM 1187 CG TYR A 71 -3.295 -7.746 5.487 1.00 1.00 C ATOM 1188 CD1 TYR A 71 -4.593 -8.219 5.613 1.00 1.00 C ATOM 1189 CD2 TYR A 71 -2.902 -6.678 6.283 1.00 1.00 C ATOM 1190 CE1 TYR A 71 -5.475 -7.647 6.505 1.00 1.00 C ATOM 1191 CE2 TYR A 71 -3.780 -6.100 7.179 1.00 1.00 C ATOM 1192 CZ TYR A 71 -5.066 -6.589 7.284 1.00 1.00 C ATOM 1193 OH TYR A 71 -5.943 -6.018 8.170 1.00 1.00 O ATOM 0 H TYR A 71 -0.096 -8.502 5.728 1.00 1.00 H new ATOM 0 HA TYR A 71 -2.448 -10.240 5.586 1.00 1.00 H new ATOM 0 HB2 TYR A 71 -1.554 -7.668 4.258 1.00 1.00 H new ATOM 0 HB3 TYR A 71 -2.871 -8.608 3.584 1.00 1.00 H new ATOM 0 HD1 TYR A 71 -4.918 -9.049 5.003 1.00 1.00 H new ATOM 0 HD2 TYR A 71 -1.896 -6.294 6.200 1.00 1.00 H new ATOM 0 HE1 TYR A 71 -6.482 -8.027 6.592 1.00 1.00 H new ATOM 0 HE2 TYR A 71 -3.462 -5.271 7.793 1.00 1.00 H new ATOM 0 HH TYR A 71 -6.162 -6.663 8.875 1.00 1.00 H new ATOM 1203 N MET A 72 0.025 -11.024 4.007 1.00 1.00 N ATOM 1204 CA MET A 72 0.577 -12.000 3.058 1.00 1.00 C ATOM 1205 C MET A 72 0.705 -11.429 1.644 1.00 1.00 C ATOM 1206 O MET A 72 0.799 -12.180 0.671 1.00 1.00 O ATOM 1207 CB MET A 72 -0.289 -13.264 3.025 1.00 1.00 C ATOM 1208 CG MET A 72 -0.338 -14.012 4.346 1.00 1.00 C ATOM 1209 SD MET A 72 -1.381 -15.481 4.271 1.00 1.00 S ATOM 1210 CE MET A 72 -1.194 -16.111 5.938 1.00 1.00 C ATOM 0 H MET A 72 0.669 -10.760 4.752 1.00 1.00 H new ATOM 0 HA MET A 72 1.579 -12.249 3.408 1.00 1.00 H new ATOM 0 HB2 MET A 72 -1.304 -12.990 2.736 1.00 1.00 H new ATOM 0 HB3 MET A 72 0.092 -13.933 2.254 1.00 1.00 H new ATOM 0 HG2 MET A 72 0.673 -14.302 4.633 1.00 1.00 H new ATOM 0 HG3 MET A 72 -0.711 -13.345 5.124 1.00 1.00 H new ATOM 0 HE1 MET A 72 -1.782 -17.022 6.051 1.00 1.00 H new ATOM 0 HE2 MET A 72 -0.143 -16.331 6.128 1.00 1.00 H new ATOM 0 HE3 MET A 72 -1.543 -15.364 6.651 1.00 1.00 H new ATOM 1220 N LEU A 73 0.716 -10.109 1.527 1.00 1.00 N ATOM 1221 CA LEU A 73 0.906 -9.468 0.234 1.00 1.00 C ATOM 1222 C LEU A 73 2.377 -9.547 -0.168 1.00 1.00 C ATOM 1223 O LEU A 73 3.257 -9.563 0.695 1.00 1.00 O ATOM 1224 CB LEU A 73 0.391 -8.020 0.271 1.00 1.00 C ATOM 1225 CG LEU A 73 0.859 -7.174 1.458 1.00 1.00 C ATOM 1226 CD1 LEU A 73 2.269 -6.659 1.237 1.00 1.00 C ATOM 1227 CD2 LEU A 73 -0.103 -6.021 1.700 1.00 1.00 C ATOM 0 H LEU A 73 0.596 -9.464 2.308 1.00 1.00 H new ATOM 0 HA LEU A 73 0.325 -9.993 -0.524 1.00 1.00 H new ATOM 0 HB2 LEU A 73 0.698 -7.522 -0.649 1.00 1.00 H new ATOM 0 HB3 LEU A 73 -0.699 -8.042 0.273 1.00 1.00 H new ATOM 0 HG LEU A 73 0.869 -7.808 2.345 1.00 1.00 H new ATOM 0 HD11 LEU A 73 2.577 -6.061 2.095 1.00 1.00 H new ATOM 0 HD12 LEU A 73 2.950 -7.502 1.119 1.00 1.00 H new ATOM 0 HD13 LEU A 73 2.295 -6.043 0.338 1.00 1.00 H new ATOM 0 HD21 LEU A 73 0.244 -5.429 2.547 1.00 1.00 H new ATOM 0 HD22 LEU A 73 -0.147 -5.391 0.811 1.00 1.00 H new ATOM 0 HD23 LEU A 73 -1.096 -6.415 1.915 1.00 1.00 H new ATOM 1239 N ARG A 74 2.644 -9.627 -1.464 1.00 1.00 N ATOM 1240 CA ARG A 74 3.991 -9.912 -1.951 1.00 1.00 C ATOM 1241 C ARG A 74 4.394 -8.946 -3.060 1.00 1.00 C ATOM 1242 O ARG A 74 3.652 -8.023 -3.397 1.00 1.00 O ATOM 1243 CB ARG A 74 4.037 -11.340 -2.495 1.00 1.00 C ATOM 1244 CG ARG A 74 3.494 -12.379 -1.534 1.00 1.00 C ATOM 1245 CD ARG A 74 2.708 -13.448 -2.270 1.00 1.00 C ATOM 1246 NE ARG A 74 1.556 -12.883 -2.976 1.00 1.00 N ATOM 1247 CZ ARG A 74 0.452 -13.566 -3.275 1.00 1.00 C ATOM 1248 NH1 ARG A 74 0.329 -14.839 -2.917 1.00 1.00 N ATOM 1249 NH2 ARG A 74 -0.540 -12.965 -3.919 1.00 1.00 N ATOM 0 H ARG A 74 1.948 -9.499 -2.198 1.00 1.00 H new ATOM 0 HA ARG A 74 4.687 -9.795 -1.120 1.00 1.00 H new ATOM 0 HB2 ARG A 74 3.467 -11.384 -3.423 1.00 1.00 H new ATOM 0 HB3 ARG A 74 5.068 -11.591 -2.742 1.00 1.00 H new ATOM 0 HG2 ARG A 74 4.318 -12.840 -0.989 1.00 1.00 H new ATOM 0 HG3 ARG A 74 2.854 -11.896 -0.796 1.00 1.00 H new ATOM 0 HD2 ARG A 74 3.360 -13.953 -2.983 1.00 1.00 H new ATOM 0 HD3 ARG A 74 2.366 -14.202 -1.561 1.00 1.00 H new ATOM 0 HE ARG A 74 1.602 -11.904 -3.257 1.00 1.00 H new ATOM 0 HH11 ARG A 74 1.083 -15.301 -2.409 1.00 1.00 H new ATOM 0 HH12 ARG A 74 -0.520 -15.355 -3.150 1.00 1.00 H new ATOM 0 HH21 ARG A 74 -0.456 -11.983 -4.183 1.00 1.00 H new ATOM 0 HH22 ARG A 74 -1.387 -13.484 -4.150 1.00 1.00 H new ATOM 1263 N ASN A 75 5.569 -9.181 -3.635 1.00 1.00 N ATOM 1264 CA ASN A 75 6.040 -8.394 -4.766 1.00 1.00 C ATOM 1265 C ASN A 75 5.222 -8.727 -6.006 1.00 1.00 C ATOM 1266 O ASN A 75 5.179 -9.880 -6.441 1.00 1.00 O ATOM 1267 CB ASN A 75 7.526 -8.659 -5.033 1.00 1.00 C ATOM 1268 CG ASN A 75 8.046 -7.929 -6.261 1.00 1.00 C ATOM 1269 OD1 ASN A 75 7.544 -6.869 -6.635 1.00 1.00 O ATOM 1270 ND2 ASN A 75 9.067 -8.484 -6.892 1.00 1.00 N ATOM 0 H ASN A 75 6.213 -9.913 -3.334 1.00 1.00 H new ATOM 0 HA ASN A 75 5.917 -7.338 -4.526 1.00 1.00 H new ATOM 0 HB2 ASN A 75 8.106 -8.354 -4.162 1.00 1.00 H new ATOM 0 HB3 ASN A 75 7.682 -9.730 -5.160 1.00 1.00 H new ATOM 0 HD21 ASN A 75 9.463 -8.033 -7.716 1.00 1.00 H new ATOM 0 HD22 ASN A 75 9.458 -9.363 -6.554 1.00 1.00 H new ATOM 1277 N GLY A 76 4.561 -7.727 -6.558 1.00 1.00 N ATOM 1278 CA GLY A 76 3.760 -7.937 -7.744 1.00 1.00 C ATOM 1279 C GLY A 76 2.276 -7.866 -7.457 1.00 1.00 C ATOM 1280 O GLY A 76 1.464 -7.805 -8.379 1.00 1.00 O ATOM 0 H GLY A 76 4.564 -6.770 -6.206 1.00 1.00 H new ATOM 0 HA2 GLY A 76 4.019 -7.187 -8.492 1.00 1.00 H new ATOM 0 HA3 GLY A 76 3.998 -8.910 -8.173 1.00 1.00 H new ATOM 1284 N ASP A 77 1.919 -7.874 -6.180 1.00 1.00 N ATOM 1285 CA ASP A 77 0.520 -7.767 -5.781 1.00 1.00 C ATOM 1286 C ASP A 77 0.017 -6.349 -5.996 1.00 1.00 C ATOM 1287 O ASP A 77 0.809 -5.417 -6.110 1.00 1.00 O ATOM 1288 CB ASP A 77 0.328 -8.176 -4.320 1.00 1.00 C ATOM 1289 CG ASP A 77 0.343 -9.677 -4.134 1.00 1.00 C ATOM 1290 OD1 ASP A 77 -0.726 -10.305 -4.257 1.00 1.00 O ATOM 1291 OD2 ASP A 77 1.423 -10.240 -3.869 1.00 1.00 O ATOM 0 H ASP A 77 2.576 -7.953 -5.404 1.00 1.00 H new ATOM 0 HA ASP A 77 -0.059 -8.449 -6.404 1.00 1.00 H new ATOM 0 HB2 ASP A 77 1.117 -7.730 -3.714 1.00 1.00 H new ATOM 0 HB3 ASP A 77 -0.619 -7.777 -3.955 1.00 1.00 H new ATOM 1296 N THR A 78 -1.293 -6.185 -6.047 1.00 1.00 N ATOM 1297 CA THR A 78 -1.878 -4.892 -6.349 1.00 1.00 C ATOM 1298 C THR A 78 -2.793 -4.421 -5.224 1.00 1.00 C ATOM 1299 O THR A 78 -3.638 -5.175 -4.734 1.00 1.00 O ATOM 1300 CB THR A 78 -2.675 -4.947 -7.670 1.00 1.00 C ATOM 1301 OG1 THR A 78 -1.817 -5.385 -8.730 1.00 1.00 O ATOM 1302 CG2 THR A 78 -3.261 -3.586 -8.022 1.00 1.00 C ATOM 0 H THR A 78 -1.970 -6.930 -5.883 1.00 1.00 H new ATOM 0 HA THR A 78 -1.058 -4.182 -6.453 1.00 1.00 H new ATOM 0 HB THR A 78 -3.498 -5.650 -7.540 1.00 1.00 H new ATOM 0 HG1 THR A 78 -2.324 -5.421 -9.568 1.00 1.00 H new ATOM 0 HG21 THR A 78 -3.816 -3.660 -8.957 1.00 1.00 H new ATOM 0 HG22 THR A 78 -3.932 -3.262 -7.227 1.00 1.00 H new ATOM 0 HG23 THR A 78 -2.455 -2.861 -8.134 1.00 1.00 H new ATOM 1310 N MET A 79 -2.602 -3.178 -4.805 1.00 1.00 N ATOM 1311 CA MET A 79 -3.491 -2.550 -3.841 1.00 1.00 C ATOM 1312 C MET A 79 -3.916 -1.194 -4.362 1.00 1.00 C ATOM 1313 O MET A 79 -3.111 -0.454 -4.931 1.00 1.00 O ATOM 1314 CB MET A 79 -2.830 -2.370 -2.473 1.00 1.00 C ATOM 1315 CG MET A 79 -2.273 -3.650 -1.880 1.00 1.00 C ATOM 1316 SD MET A 79 -1.897 -3.499 -0.126 1.00 1.00 S ATOM 1317 CE MET A 79 -0.764 -2.116 -0.142 1.00 1.00 C ATOM 0 H MET A 79 -1.836 -2.583 -5.120 1.00 1.00 H new ATOM 0 HA MET A 79 -4.352 -3.206 -3.713 1.00 1.00 H new ATOM 0 HB2 MET A 79 -2.023 -1.643 -2.565 1.00 1.00 H new ATOM 0 HB3 MET A 79 -3.560 -1.950 -1.781 1.00 1.00 H new ATOM 0 HG2 MET A 79 -2.993 -4.456 -2.025 1.00 1.00 H new ATOM 0 HG3 MET A 79 -1.368 -3.931 -2.418 1.00 1.00 H new ATOM 0 HE1 MET A 79 -0.092 -2.187 0.713 1.00 1.00 H new ATOM 0 HE2 MET A 79 -0.182 -2.133 -1.064 1.00 1.00 H new ATOM 0 HE3 MET A 79 -1.327 -1.184 -0.085 1.00 1.00 H new ATOM 1327 N GLU A 80 -5.174 -0.872 -4.179 1.00 1.00 N ATOM 1328 CA GLU A 80 -5.684 0.414 -4.593 1.00 1.00 C ATOM 1329 C GLU A 80 -5.664 1.382 -3.427 1.00 1.00 C ATOM 1330 O GLU A 80 -6.432 1.243 -2.475 1.00 1.00 O ATOM 1331 CB GLU A 80 -7.095 0.274 -5.154 1.00 1.00 C ATOM 1332 CG GLU A 80 -7.148 -0.553 -6.426 1.00 1.00 C ATOM 1333 CD GLU A 80 -8.558 -0.802 -6.907 1.00 1.00 C ATOM 1334 OE1 GLU A 80 -9.071 0.018 -7.696 1.00 1.00 O ATOM 1335 OE2 GLU A 80 -9.160 -1.825 -6.506 1.00 1.00 O ATOM 0 H GLU A 80 -5.865 -1.484 -3.745 1.00 1.00 H new ATOM 0 HA GLU A 80 -5.043 0.808 -5.382 1.00 1.00 H new ATOM 0 HB2 GLU A 80 -7.735 -0.186 -4.401 1.00 1.00 H new ATOM 0 HB3 GLU A 80 -7.500 1.266 -5.355 1.00 1.00 H new ATOM 0 HG2 GLU A 80 -6.587 -0.042 -7.209 1.00 1.00 H new ATOM 0 HG3 GLU A 80 -6.655 -1.509 -6.252 1.00 1.00 H new ATOM 1342 N TYR A 81 -4.756 2.339 -3.485 1.00 1.00 N ATOM 1343 CA TYR A 81 -4.727 3.403 -2.503 1.00 1.00 C ATOM 1344 C TYR A 81 -5.859 4.371 -2.802 1.00 1.00 C ATOM 1345 O TYR A 81 -5.835 5.078 -3.810 1.00 1.00 O ATOM 1346 CB TYR A 81 -3.389 4.148 -2.525 1.00 1.00 C ATOM 1347 CG TYR A 81 -3.297 5.248 -1.495 1.00 1.00 C ATOM 1348 CD1 TYR A 81 -3.710 6.541 -1.784 1.00 1.00 C ATOM 1349 CD2 TYR A 81 -2.800 4.986 -0.228 1.00 1.00 C ATOM 1350 CE1 TYR A 81 -3.631 7.540 -0.836 1.00 1.00 C ATOM 1351 CE2 TYR A 81 -2.716 5.979 0.722 1.00 1.00 C ATOM 1352 CZ TYR A 81 -3.132 7.254 0.415 1.00 1.00 C ATOM 1353 OH TYR A 81 -3.050 8.244 1.367 1.00 1.00 O ATOM 0 H TYR A 81 -4.031 2.400 -4.200 1.00 1.00 H new ATOM 0 HA TYR A 81 -4.848 2.969 -1.511 1.00 1.00 H new ATOM 0 HB2 TYR A 81 -2.582 3.435 -2.357 1.00 1.00 H new ATOM 0 HB3 TYR A 81 -3.236 4.575 -3.516 1.00 1.00 H new ATOM 0 HD1 TYR A 81 -4.099 6.768 -2.766 1.00 1.00 H new ATOM 0 HD2 TYR A 81 -2.473 3.986 0.018 1.00 1.00 H new ATOM 0 HE1 TYR A 81 -3.959 8.541 -1.074 1.00 1.00 H new ATOM 0 HE2 TYR A 81 -2.325 5.758 1.704 1.00 1.00 H new ATOM 0 HH TYR A 81 -3.041 7.840 2.260 1.00 1.00 H new ATOM 1363 N ARG A 82 -6.855 4.379 -1.939 1.00 1.00 N ATOM 1364 CA ARG A 82 -8.029 5.203 -2.146 1.00 1.00 C ATOM 1365 C ARG A 82 -8.570 5.701 -0.819 1.00 1.00 C ATOM 1366 O ARG A 82 -8.191 5.204 0.245 1.00 1.00 O ATOM 1367 CB ARG A 82 -9.107 4.412 -2.898 1.00 1.00 C ATOM 1368 CG ARG A 82 -9.425 3.064 -2.268 1.00 1.00 C ATOM 1369 CD ARG A 82 -10.513 2.327 -3.031 1.00 1.00 C ATOM 1370 NE ARG A 82 -11.804 3.016 -2.951 1.00 1.00 N ATOM 1371 CZ ARG A 82 -12.599 3.242 -3.997 1.00 1.00 C ATOM 1372 NH1 ARG A 82 -12.209 2.915 -5.222 1.00 1.00 N ATOM 1373 NH2 ARG A 82 -13.779 3.821 -3.815 1.00 1.00 N ATOM 0 H ARG A 82 -6.875 3.822 -1.085 1.00 1.00 H new ATOM 0 HA ARG A 82 -7.745 6.066 -2.748 1.00 1.00 H new ATOM 0 HB2 ARG A 82 -10.019 5.008 -2.941 1.00 1.00 H new ATOM 0 HB3 ARG A 82 -8.780 4.255 -3.926 1.00 1.00 H new ATOM 0 HG2 ARG A 82 -8.523 2.453 -2.241 1.00 1.00 H new ATOM 0 HG3 ARG A 82 -9.741 3.211 -1.235 1.00 1.00 H new ATOM 0 HD2 ARG A 82 -10.219 2.228 -4.076 1.00 1.00 H new ATOM 0 HD3 ARG A 82 -10.615 1.318 -2.632 1.00 1.00 H new ATOM 0 HE ARG A 82 -12.114 3.344 -2.036 1.00 1.00 H new ATOM 0 HH11 ARG A 82 -11.295 2.487 -5.369 1.00 1.00 H new ATOM 0 HH12 ARG A 82 -12.823 3.091 -6.017 1.00 1.00 H new ATOM 0 HH21 ARG A 82 -14.075 4.092 -2.877 1.00 1.00 H new ATOM 0 HH22 ARG A 82 -14.390 3.996 -4.613 1.00 1.00 H new ATOM 1387 N LYS A 83 -9.440 6.688 -0.886 1.00 1.00 N ATOM 1388 CA LYS A 83 -10.077 7.228 0.298 1.00 1.00 C ATOM 1389 C LYS A 83 -11.161 6.272 0.779 1.00 1.00 C ATOM 1390 O LYS A 83 -11.983 5.806 -0.012 1.00 1.00 O ATOM 1391 CB LYS A 83 -10.674 8.601 -0.020 1.00 1.00 C ATOM 1392 CG LYS A 83 -11.270 9.310 1.182 1.00 1.00 C ATOM 1393 CD LYS A 83 -11.889 10.642 0.789 1.00 1.00 C ATOM 1394 CE LYS A 83 -13.023 10.457 -0.206 1.00 1.00 C ATOM 1395 NZ LYS A 83 -13.674 11.746 -0.556 1.00 1.00 N ATOM 0 H LYS A 83 -9.724 7.136 -1.757 1.00 1.00 H new ATOM 0 HA LYS A 83 -9.337 7.343 1.090 1.00 1.00 H new ATOM 0 HB2 LYS A 83 -9.897 9.232 -0.452 1.00 1.00 H new ATOM 0 HB3 LYS A 83 -11.447 8.482 -0.779 1.00 1.00 H new ATOM 0 HG2 LYS A 83 -12.028 8.676 1.641 1.00 1.00 H new ATOM 0 HG3 LYS A 83 -10.495 9.474 1.931 1.00 1.00 H new ATOM 0 HD2 LYS A 83 -12.263 11.147 1.679 1.00 1.00 H new ATOM 0 HD3 LYS A 83 -11.124 11.286 0.355 1.00 1.00 H new ATOM 0 HE2 LYS A 83 -12.638 9.988 -1.111 1.00 1.00 H new ATOM 0 HE3 LYS A 83 -13.766 9.778 0.213 1.00 1.00 H new ATOM 0 HZ1 LYS A 83 -14.441 11.574 -1.237 1.00 1.00 H new ATOM 0 HZ2 LYS A 83 -14.065 12.182 0.303 1.00 1.00 H new ATOM 0 HZ3 LYS A 83 -12.972 12.386 -0.980 1.00 1.00 H new ATOM 1409 N LYS A 84 -11.156 5.965 2.066 1.00 1.00 N ATOM 1410 CA LYS A 84 -12.139 5.045 2.620 1.00 1.00 C ATOM 1411 C LYS A 84 -13.460 5.763 2.872 1.00 1.00 C ATOM 1412 O LYS A 84 -13.538 6.990 2.780 1.00 1.00 O ATOM 1413 CB LYS A 84 -11.621 4.399 3.907 1.00 1.00 C ATOM 1414 CG LYS A 84 -11.162 5.395 4.958 1.00 1.00 C ATOM 1415 CD LYS A 84 -10.832 4.707 6.272 1.00 1.00 C ATOM 1416 CE LYS A 84 -9.699 3.700 6.120 1.00 1.00 C ATOM 1417 NZ LYS A 84 -9.488 2.926 7.370 1.00 1.00 N ATOM 0 H LYS A 84 -10.489 6.335 2.743 1.00 1.00 H new ATOM 0 HA LYS A 84 -12.310 4.252 1.892 1.00 1.00 H new ATOM 0 HB2 LYS A 84 -12.409 3.776 4.331 1.00 1.00 H new ATOM 0 HB3 LYS A 84 -10.790 3.738 3.660 1.00 1.00 H new ATOM 0 HG2 LYS A 84 -10.284 5.929 4.595 1.00 1.00 H new ATOM 0 HG3 LYS A 84 -11.942 6.138 5.121 1.00 1.00 H new ATOM 0 HD2 LYS A 84 -10.554 5.456 7.014 1.00 1.00 H new ATOM 0 HD3 LYS A 84 -11.720 4.199 6.649 1.00 1.00 H new ATOM 0 HE2 LYS A 84 -9.925 3.017 5.301 1.00 1.00 H new ATOM 0 HE3 LYS A 84 -8.780 4.222 5.854 1.00 1.00 H new ATOM 0 HZ1 LYS A 84 -8.710 2.250 7.232 1.00 1.00 H new ATOM 0 HZ2 LYS A 84 -9.248 3.577 8.145 1.00 1.00 H new ATOM 0 HZ3 LYS A 84 -10.358 2.409 7.609 1.00 1.00 H new ATOM 1431 N GLN A 85 -14.494 4.998 3.178 1.00 1.00 N ATOM 1432 CA GLN A 85 -15.823 5.552 3.387 1.00 1.00 C ATOM 1433 C GLN A 85 -16.555 4.781 4.478 1.00 1.00 C ATOM 1434 O GLN A 85 -16.713 3.553 4.334 1.00 1.00 O ATOM 1435 CB GLN A 85 -16.626 5.538 2.079 1.00 1.00 C ATOM 1436 CG GLN A 85 -16.691 4.178 1.399 1.00 1.00 C ATOM 1437 CD GLN A 85 -17.440 4.219 0.083 1.00 1.00 C ATOM 1438 OE1 GLN A 85 -17.444 5.238 -0.609 1.00 1.00 O ATOM 1439 NE2 GLN A 85 -18.086 3.120 -0.268 1.00 1.00 N ATOM 1440 OXT GLN A 85 -16.970 5.404 5.473 1.00 1.00 O ATOM 0 H GLN A 85 -14.439 3.985 3.288 1.00 1.00 H new ATOM 0 HA GLN A 85 -15.719 6.588 3.710 1.00 1.00 H new ATOM 0 HB2 GLN A 85 -17.641 5.877 2.286 1.00 1.00 H new ATOM 0 HB3 GLN A 85 -16.185 6.256 1.388 1.00 1.00 H new ATOM 0 HG2 GLN A 85 -15.678 3.814 1.225 1.00 1.00 H new ATOM 0 HG3 GLN A 85 -17.175 3.465 2.066 1.00 1.00 H new ATOM 0 HE21 GLN A 85 -18.057 2.297 0.334 1.00 1.00 H new ATOM 0 HE22 GLN A 85 -18.613 3.095 -1.141 1.00 1.00 H new