USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 822 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 43 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 159:sc= -0.134 (180deg=-0.587) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -1.78 K(o=-1.8,f=-2.6) USER MOD Single : A 25 LYS NZ :NH3+ -138:sc= -0.0133 (180deg=-0.261) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot -24:sc= -2.73 USER MOD Single : A 32 SER OG : rot 81:sc= 0.952 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.381 X(o=-0.38,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ -160:sc= -1.02 (180deg=-1.17) USER MOD Single : A 42 TYR OH : rot 180:sc= -0.213 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 1.35 (180deg=1.35) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -170:sc= -0.0594 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -105:sc= -0.914! USER MOD Single : A 79 TYR OH : rot -94:sc= 0.559 USER MOD Single : A 84 MET CE :methyl -143:sc= -0.7 (180deg=-5.32!) USER MOD Single : A 97 ASN : amide:sc= -5.59! C(o=-5.6!,f=-12!) USER MOD Single : A 100 TYR OH : rot 30:sc= -0.374 USER MOD Single : A 101 ASN : amide:sc= -0.229 X(o=-0.23,f=-0.68) USER MOD Single : A 106 SER OG : rot -93:sc= 0.511 USER MOD Single : A 111 THR OG1 : rot 93:sc= 1.11 USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -0.366 -4.997 -11.866 1.00 0.00 N ATOM 91 CA LEU A 13 -1.273 -5.841 -11.097 1.00 0.00 C ATOM 92 C LEU A 13 -2.663 -5.218 -11.020 1.00 0.00 C ATOM 93 O LEU A 13 -2.802 -3.998 -10.936 1.00 0.00 O ATOM 94 CB LEU A 13 -0.723 -6.058 -9.686 1.00 0.00 C ATOM 95 CG LEU A 13 -1.486 -7.080 -8.842 1.00 0.00 C ATOM 96 CD1 LEU A 13 -1.030 -8.492 -9.174 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.303 -6.792 -7.358 1.00 0.00 C ATOM 0 HA LEU A 13 -1.353 -6.803 -11.604 1.00 0.00 H new ATOM 0 HB2 LEU A 13 0.316 -6.377 -9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.725 -5.103 -9.161 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.547 -6.998 -9.078 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.583 -9.206 -8.564 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -1.215 -8.696 -10.229 1.00 0.00 H new ATOM 0 HD13 LEU A 13 0.036 -8.588 -8.968 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -1.853 -7.530 -6.774 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.244 -6.845 -7.105 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.681 -5.795 -7.132 1.00 0.00 H new ATOM 109 N ARG A 14 -3.690 -6.061 -11.049 1.00 0.00 N ATOM 110 CA ARG A 14 -5.066 -5.582 -10.981 1.00 0.00 C ATOM 111 C ARG A 14 -5.374 -5.005 -9.604 1.00 0.00 C ATOM 112 O ARG A 14 -5.669 -5.737 -8.660 1.00 0.00 O ATOM 113 CB ARG A 14 -6.053 -6.703 -11.307 1.00 0.00 C ATOM 114 CG ARG A 14 -5.705 -8.038 -10.666 1.00 0.00 C ATOM 115 CD ARG A 14 -5.333 -9.084 -11.707 1.00 0.00 C ATOM 116 NE ARG A 14 -4.369 -8.577 -12.682 1.00 0.00 N ATOM 117 CZ ARG A 14 -3.572 -9.354 -13.413 1.00 0.00 C ATOM 118 NH1 ARG A 14 -3.622 -10.675 -13.287 1.00 0.00 N ATOM 119 NH2 ARG A 14 -2.725 -8.809 -14.274 1.00 0.00 N ATOM 0 H ARG A 14 -3.597 -7.074 -11.119 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.177 -4.793 -11.724 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -7.049 -6.403 -10.980 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -6.097 -6.831 -12.389 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -4.874 -7.903 -9.973 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -6.554 -8.393 -10.081 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -4.916 -9.958 -11.207 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -6.233 -9.413 -12.226 1.00 0.00 H new ATOM 0 HE ARG A 14 -4.303 -7.567 -12.810 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -4.274 -11.100 -12.627 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -3.009 -11.265 -13.850 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -2.684 -7.795 -14.376 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -2.114 -9.403 -14.834 1.00 0.00 H new ATOM 133 N ILE A 15 -5.294 -3.686 -9.503 1.00 0.00 N ATOM 134 CA ILE A 15 -5.555 -2.988 -8.253 1.00 0.00 C ATOM 135 C ILE A 15 -6.314 -1.689 -8.508 1.00 0.00 C ATOM 136 O ILE A 15 -5.961 -0.922 -9.404 1.00 0.00 O ATOM 137 CB ILE A 15 -4.239 -2.670 -7.519 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.400 -3.940 -7.359 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.516 -2.037 -6.164 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.025 -3.688 -6.782 1.00 0.00 C ATOM 0 H ILE A 15 -5.048 -3.073 -10.280 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.163 -3.644 -7.630 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.675 -1.954 -8.118 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.933 -4.639 -6.714 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.294 -4.421 -8.332 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.572 -1.821 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.074 -1.111 -6.302 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.101 -2.725 -5.554 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.487 -4.632 -6.697 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.473 -3.014 -7.437 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.122 -3.236 -5.795 1.00 0.00 H new ATOM 152 N LYS A 16 -7.358 -1.445 -7.722 1.00 0.00 N ATOM 153 CA LYS A 16 -8.159 -0.236 -7.875 1.00 0.00 C ATOM 154 C LYS A 16 -8.619 0.289 -6.520 1.00 0.00 C ATOM 155 O LYS A 16 -9.228 -0.437 -5.736 1.00 0.00 O ATOM 156 CB LYS A 16 -9.370 -0.512 -8.767 1.00 0.00 C ATOM 157 CG LYS A 16 -9.013 -0.708 -10.232 1.00 0.00 C ATOM 158 CD LYS A 16 -9.373 -2.105 -10.715 1.00 0.00 C ATOM 159 CE LYS A 16 -8.806 -2.378 -12.099 1.00 0.00 C ATOM 160 NZ LYS A 16 -7.323 -2.229 -12.131 1.00 0.00 N ATOM 0 H LYS A 16 -7.668 -2.066 -6.975 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.536 0.525 -8.345 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.883 -1.403 -8.404 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -10.072 0.318 -8.680 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -9.536 0.033 -10.837 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.946 -0.538 -10.373 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.991 -2.844 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -10.457 -2.216 -10.736 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -9.076 -3.387 -12.410 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.255 -1.692 -12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.939 -2.748 -12.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -7.077 -1.222 -12.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.917 -2.613 -11.254 1.00 0.00 H new ATOM 174 N VAL A 17 -8.322 1.555 -6.251 1.00 0.00 N ATOM 175 CA VAL A 17 -8.707 2.177 -4.989 1.00 0.00 C ATOM 176 C VAL A 17 -9.617 3.377 -5.224 1.00 0.00 C ATOM 177 O VAL A 17 -9.150 4.470 -5.545 1.00 0.00 O ATOM 178 CB VAL A 17 -7.476 2.634 -4.179 1.00 0.00 C ATOM 179 CG1 VAL A 17 -7.827 2.757 -2.706 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.309 1.677 -4.375 1.00 0.00 C ATOM 0 H VAL A 17 -7.817 2.170 -6.888 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.243 1.419 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.172 3.614 -4.546 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.948 3.080 -2.148 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.625 3.489 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.160 1.790 -2.329 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.454 2.022 -3.793 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.596 0.680 -4.042 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -6.040 1.643 -5.431 1.00 0.00 H new ATOM 190 N ASP A 18 -10.919 3.166 -5.061 1.00 0.00 N ATOM 191 CA ASP A 18 -11.896 4.232 -5.253 1.00 0.00 C ATOM 192 C ASP A 18 -12.829 4.340 -4.051 1.00 0.00 C ATOM 193 O ASP A 18 -13.983 4.747 -4.185 1.00 0.00 O ATOM 194 CB ASP A 18 -12.710 3.983 -6.524 1.00 0.00 C ATOM 195 CG ASP A 18 -13.501 5.205 -6.953 1.00 0.00 C ATOM 196 OD1 ASP A 18 -12.924 6.313 -6.960 1.00 0.00 O ATOM 197 OD2 ASP A 18 -14.696 5.052 -7.280 1.00 0.00 O ATOM 0 H ASP A 18 -11.322 2.267 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.354 5.172 -5.354 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.039 3.687 -7.330 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.394 3.151 -6.357 1.00 0.00 H new ATOM 202 N ASP A 19 -12.324 3.971 -2.878 1.00 0.00 N ATOM 203 CA ASP A 19 -13.113 4.027 -1.654 1.00 0.00 C ATOM 204 C ASP A 19 -12.306 4.640 -0.514 1.00 0.00 C ATOM 205 O ASP A 19 -11.101 4.411 -0.400 1.00 0.00 O ATOM 206 CB ASP A 19 -13.590 2.625 -1.266 1.00 0.00 C ATOM 207 CG ASP A 19 -15.062 2.414 -1.559 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.897 3.078 -0.907 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.381 1.586 -2.437 1.00 0.00 O ATOM 0 H ASP A 19 -11.371 3.630 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 19 -13.982 4.659 -1.838 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.004 1.882 -1.808 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.407 2.463 -0.204 1.00 0.00 H new ATOM 214 N VAL A 20 -12.976 5.418 0.328 1.00 0.00 N ATOM 215 CA VAL A 20 -12.321 6.063 1.459 1.00 0.00 C ATOM 216 C VAL A 20 -13.296 6.278 2.611 1.00 0.00 C ATOM 217 O VAL A 20 -14.190 7.120 2.532 1.00 0.00 O ATOM 218 CB VAL A 20 -11.712 7.420 1.058 1.00 0.00 C ATOM 219 CG1 VAL A 20 -10.864 7.982 2.188 1.00 0.00 C ATOM 220 CG2 VAL A 20 -10.894 7.282 -0.217 1.00 0.00 C ATOM 0 H VAL A 20 -13.973 5.617 0.249 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.522 5.396 1.782 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.526 8.120 0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.443 8.941 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.484 8.122 3.073 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.056 7.287 2.417 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.472 8.250 -0.485 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.088 6.566 -0.056 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.536 6.930 -1.025 1.00 0.00 H new ATOM 230 N LYS A 21 -13.116 5.512 3.682 1.00 0.00 N ATOM 231 CA LYS A 21 -13.980 5.620 4.851 1.00 0.00 C ATOM 232 C LYS A 21 -13.353 6.530 5.903 1.00 0.00 C ATOM 233 O LYS A 21 -12.437 6.127 6.621 1.00 0.00 O ATOM 234 CB LYS A 21 -14.248 4.235 5.444 1.00 0.00 C ATOM 235 CG LYS A 21 -15.710 3.992 5.785 1.00 0.00 C ATOM 236 CD LYS A 21 -15.863 2.911 6.842 1.00 0.00 C ATOM 237 CE LYS A 21 -17.165 3.066 7.612 1.00 0.00 C ATOM 238 NZ LYS A 21 -17.481 1.855 8.419 1.00 0.00 N ATOM 0 H LYS A 21 -12.380 4.810 3.764 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.927 6.058 4.537 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.918 3.475 4.736 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -13.648 4.113 6.346 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.160 4.918 6.142 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.251 3.701 4.885 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -15.834 1.930 6.368 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.022 2.956 7.534 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.097 3.933 8.270 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.979 3.259 6.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -18.376 2.001 8.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.571 1.032 7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.717 1.685 9.103 1.00 0.00 H new ATOM 252 N ILE A 22 -13.850 7.759 5.986 1.00 0.00 N ATOM 253 CA ILE A 22 -13.340 8.730 6.944 1.00 0.00 C ATOM 254 C ILE A 22 -13.790 8.395 8.362 1.00 0.00 C ATOM 255 O ILE A 22 -14.945 8.617 8.725 1.00 0.00 O ATOM 256 CB ILE A 22 -13.802 10.157 6.597 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.572 10.450 5.113 1.00 0.00 C ATOM 258 CG2 ILE A 22 -13.073 11.172 7.461 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.113 10.448 4.716 1.00 0.00 C ATOM 0 H ILE A 22 -14.608 8.106 5.399 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.252 8.683 6.890 1.00 0.00 H new ATOM 0 HB ILE A 22 -14.870 10.234 6.799 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.103 9.707 4.518 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.005 11.421 4.871 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.410 12.177 7.205 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.286 10.975 8.512 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.000 11.094 7.287 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.025 10.663 3.651 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.580 11.210 5.285 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.680 9.470 4.926 1.00 0.00 H new ATOM 271 N ASN A 23 -12.869 7.865 9.161 1.00 0.00 N ATOM 272 CA ASN A 23 -13.174 7.506 10.540 1.00 0.00 C ATOM 273 C ASN A 23 -12.891 8.675 11.480 1.00 0.00 C ATOM 274 O ASN A 23 -11.984 9.472 11.239 1.00 0.00 O ATOM 275 CB ASN A 23 -12.360 6.282 10.966 1.00 0.00 C ATOM 276 CG ASN A 23 -13.121 5.388 11.924 1.00 0.00 C ATOM 277 OD1 ASN A 23 -14.296 5.089 11.712 1.00 0.00 O ATOM 278 ND2 ASN A 23 -12.452 4.955 12.987 1.00 0.00 N ATOM 0 H ASN A 23 -11.908 7.675 8.877 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.235 7.263 10.600 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -12.081 5.709 10.082 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -11.434 6.611 11.438 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -12.912 4.350 13.667 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -11.479 5.228 13.123 1.00 0.00 H new ATOM 285 N PRO A 24 -13.672 8.797 12.569 1.00 0.00 N ATOM 286 CA PRO A 24 -13.505 9.880 13.545 1.00 0.00 C ATOM 287 C PRO A 24 -12.105 9.920 14.153 1.00 0.00 C ATOM 288 O PRO A 24 -11.699 10.931 14.726 1.00 0.00 O ATOM 289 CB PRO A 24 -14.541 9.557 14.627 1.00 0.00 C ATOM 290 CG PRO A 24 -15.543 8.687 13.952 1.00 0.00 C ATOM 291 CD PRO A 24 -14.780 7.895 12.931 1.00 0.00 C ATOM 0 HA PRO A 24 -13.640 10.857 13.080 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -14.082 9.047 15.474 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -15.003 10.465 15.014 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -16.035 8.029 14.669 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -16.323 9.284 13.480 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.416 6.953 13.341 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.398 7.649 12.068 1.00 0.00 H new ATOM 299 N LYS A 25 -11.370 8.817 14.034 1.00 0.00 N ATOM 300 CA LYS A 25 -10.022 8.740 14.586 1.00 0.00 C ATOM 301 C LYS A 25 -8.961 8.718 13.485 1.00 0.00 C ATOM 302 O LYS A 25 -7.788 8.988 13.744 1.00 0.00 O ATOM 303 CB LYS A 25 -9.881 7.498 15.467 1.00 0.00 C ATOM 304 CG LYS A 25 -10.273 7.734 16.918 1.00 0.00 C ATOM 305 CD LYS A 25 -9.289 7.081 17.876 1.00 0.00 C ATOM 306 CE LYS A 25 -9.520 5.582 17.976 1.00 0.00 C ATOM 307 NZ LYS A 25 -8.529 4.813 17.175 1.00 0.00 N ATOM 0 H LYS A 25 -11.684 7.969 13.563 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.863 9.634 15.189 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -10.500 6.700 15.057 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -8.848 7.152 15.430 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -10.317 8.805 17.114 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -11.272 7.337 17.095 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -8.270 7.271 17.538 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -9.387 7.532 18.863 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -9.460 5.274 19.020 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -10.527 5.346 17.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.011 4.037 16.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.080 5.443 16.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.802 4.420 17.807 1.00 0.00 H new ATOM 321 N TYR A 26 -9.370 8.392 12.262 1.00 0.00 N ATOM 322 CA TYR A 26 -8.434 8.337 11.143 1.00 0.00 C ATOM 323 C TYR A 26 -9.160 8.097 9.823 1.00 0.00 C ATOM 324 O TYR A 26 -10.305 7.646 9.805 1.00 0.00 O ATOM 325 CB TYR A 26 -7.400 7.233 11.373 1.00 0.00 C ATOM 326 CG TYR A 26 -7.998 5.935 11.868 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.659 5.076 10.998 1.00 0.00 C ATOM 328 CD2 TYR A 26 -7.902 5.568 13.204 1.00 0.00 C ATOM 329 CE1 TYR A 26 -9.206 3.889 11.447 1.00 0.00 C ATOM 330 CE2 TYR A 26 -8.446 4.383 13.660 1.00 0.00 C ATOM 331 CZ TYR A 26 -9.098 3.547 12.778 1.00 0.00 C ATOM 332 OH TYR A 26 -9.641 2.366 13.228 1.00 0.00 O ATOM 0 H TYR A 26 -10.335 8.164 12.022 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.928 9.301 11.084 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.868 7.045 10.440 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.663 7.582 12.096 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.747 5.340 9.955 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -7.393 6.220 13.898 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.716 3.232 10.758 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.361 4.113 14.702 1.00 0.00 H new ATOM 0 HH TYR A 26 -9.476 2.276 14.190 1.00 0.00 H new ATOM 342 N VAL A 27 -8.483 8.401 8.719 1.00 0.00 N ATOM 343 CA VAL A 27 -9.059 8.218 7.392 1.00 0.00 C ATOM 344 C VAL A 27 -8.583 6.910 6.767 1.00 0.00 C ATOM 345 O VAL A 27 -7.385 6.704 6.574 1.00 0.00 O ATOM 346 CB VAL A 27 -8.693 9.384 6.455 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.410 9.246 5.121 1.00 0.00 C ATOM 348 CG2 VAL A 27 -9.023 10.717 7.110 1.00 0.00 C ATOM 0 H VAL A 27 -7.534 8.775 8.718 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.142 8.189 7.516 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.620 9.351 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.138 10.080 4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.119 8.309 4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.488 9.251 5.285 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.758 11.530 6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.090 10.760 7.329 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.458 10.817 8.037 1.00 0.00 H new ATOM 358 N LEU A 28 -9.527 6.030 6.455 1.00 0.00 N ATOM 359 CA LEU A 28 -9.202 4.742 5.854 1.00 0.00 C ATOM 360 C LEU A 28 -9.377 4.781 4.340 1.00 0.00 C ATOM 361 O LEU A 28 -10.086 5.633 3.806 1.00 0.00 O ATOM 362 CB LEU A 28 -10.080 3.640 6.453 1.00 0.00 C ATOM 363 CG LEU A 28 -9.931 3.442 7.963 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.676 2.195 8.413 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.462 3.352 8.347 1.00 0.00 C ATOM 0 H LEU A 28 -10.524 6.185 6.608 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.156 4.525 6.072 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -11.123 3.868 6.233 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.847 2.699 5.954 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.366 4.305 8.467 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.559 2.070 9.489 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.734 2.297 8.172 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.269 1.323 7.900 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.376 3.211 9.424 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -8.003 2.508 7.833 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.954 4.272 8.059 1.00 0.00 H new ATOM 377 N TYR A 29 -8.725 3.847 3.655 1.00 0.00 N ATOM 378 CA TYR A 29 -8.804 3.767 2.201 1.00 0.00 C ATOM 379 C TYR A 29 -9.216 2.367 1.760 1.00 0.00 C ATOM 380 O TYR A 29 -8.653 1.373 2.219 1.00 0.00 O ATOM 381 CB TYR A 29 -7.458 4.133 1.574 1.00 0.00 C ATOM 382 CG TYR A 29 -7.250 5.620 1.400 1.00 0.00 C ATOM 383 CD1 TYR A 29 -7.650 6.266 0.238 1.00 0.00 C ATOM 384 CD2 TYR A 29 -6.651 6.377 2.399 1.00 0.00 C ATOM 385 CE1 TYR A 29 -7.457 7.624 0.073 1.00 0.00 C ATOM 386 CE2 TYR A 29 -6.456 7.737 2.243 1.00 0.00 C ATOM 387 CZ TYR A 29 -6.861 8.354 1.079 1.00 0.00 C ATOM 388 OH TYR A 29 -6.666 9.705 0.919 1.00 0.00 O ATOM 0 H TYR A 29 -8.135 3.134 4.084 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.559 4.477 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.657 3.734 2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.377 3.648 0.601 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -8.120 5.697 -0.551 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -6.333 5.896 3.312 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.771 8.111 -0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -5.989 8.312 3.029 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.626 9.919 -0.037 1.00 0.00 H new ATOM 398 N GLY A 30 -10.200 2.294 0.869 1.00 0.00 N ATOM 399 CA GLY A 30 -10.668 1.008 0.385 1.00 0.00 C ATOM 400 C GLY A 30 -9.925 0.549 -0.855 1.00 0.00 C ATOM 401 O GLY A 30 -10.238 0.975 -1.967 1.00 0.00 O ATOM 0 H GLY A 30 -10.681 3.102 0.474 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.551 0.263 1.172 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.733 1.073 0.163 1.00 0.00 H new ATOM 405 N VAL A 31 -8.937 -0.320 -0.664 1.00 0.00 N ATOM 406 CA VAL A 31 -8.145 -0.836 -1.775 1.00 0.00 C ATOM 407 C VAL A 31 -8.794 -2.069 -2.391 1.00 0.00 C ATOM 408 O VAL A 31 -8.852 -3.129 -1.770 1.00 0.00 O ATOM 409 CB VAL A 31 -6.715 -1.194 -1.327 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.833 -1.486 -2.533 1.00 0.00 C ATOM 411 CG2 VAL A 31 -6.123 -0.077 -0.482 1.00 0.00 C ATOM 0 H VAL A 31 -8.666 -0.682 0.250 1.00 0.00 H new ATOM 0 HA VAL A 31 -8.098 -0.043 -2.522 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.762 -2.094 -0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.827 -1.737 -2.196 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.248 -2.324 -3.093 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.792 -0.606 -3.175 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.113 -0.349 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -6.090 0.843 -1.066 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.741 0.077 0.402 1.00 0.00 H new ATOM 421 N SER A 32 -9.281 -1.921 -3.619 1.00 0.00 N ATOM 422 CA SER A 32 -9.924 -3.025 -4.324 1.00 0.00 C ATOM 423 C SER A 32 -8.892 -3.861 -5.070 1.00 0.00 C ATOM 424 O SER A 32 -8.053 -3.325 -5.795 1.00 0.00 O ATOM 425 CB SER A 32 -10.972 -2.493 -5.304 1.00 0.00 C ATOM 426 OG SER A 32 -11.540 -1.282 -4.838 1.00 0.00 O ATOM 0 H SER A 32 -9.243 -1.049 -4.146 1.00 0.00 H new ATOM 0 HA SER A 32 -10.418 -3.658 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.513 -2.331 -6.279 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.757 -3.237 -5.441 1.00 0.00 H new ATOM 0 HG SER A 32 -10.940 -0.537 -5.050 1.00 0.00 H new ATOM 432 N THR A 33 -8.952 -5.177 -4.888 1.00 0.00 N ATOM 433 CA THR A 33 -8.012 -6.076 -5.544 1.00 0.00 C ATOM 434 C THR A 33 -8.655 -7.430 -5.825 1.00 0.00 C ATOM 435 O THR A 33 -9.695 -7.759 -5.256 1.00 0.00 O ATOM 436 CB THR A 33 -6.769 -6.253 -4.672 1.00 0.00 C ATOM 437 OG1 THR A 33 -7.133 -6.455 -3.317 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.836 -5.065 -4.723 1.00 0.00 C ATOM 0 H THR A 33 -9.639 -5.642 -4.294 1.00 0.00 H new ATOM 0 HA THR A 33 -7.723 -5.635 -6.498 1.00 0.00 H new ATOM 0 HB THR A 33 -6.250 -7.123 -5.075 1.00 0.00 H new ATOM 0 HG1 THR A 33 -6.325 -6.568 -2.774 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.973 -5.252 -4.083 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.501 -4.910 -5.748 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.360 -4.175 -4.374 1.00 0.00 H new ATOM 446 N PRO A 34 -8.039 -8.240 -6.708 1.00 0.00 N ATOM 447 CA PRO A 34 -8.548 -9.564 -7.064 1.00 0.00 C ATOM 448 C PRO A 34 -9.058 -10.329 -5.848 1.00 0.00 C ATOM 449 O PRO A 34 -9.993 -11.125 -5.947 1.00 0.00 O ATOM 450 CB PRO A 34 -7.331 -10.274 -7.682 1.00 0.00 C ATOM 451 CG PRO A 34 -6.192 -9.302 -7.593 1.00 0.00 C ATOM 452 CD PRO A 34 -6.803 -7.941 -7.432 1.00 0.00 C ATOM 0 HA PRO A 34 -9.400 -9.503 -7.741 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -7.101 -11.193 -7.144 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.526 -10.552 -8.718 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.545 -9.539 -6.748 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -5.574 -9.346 -8.490 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -6.155 -7.268 -6.871 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.999 -7.467 -8.394 1.00 0.00 H new ATOM 460 N ASN A 35 -8.447 -10.069 -4.698 1.00 0.00 N ATOM 461 CA ASN A 35 -8.849 -10.719 -3.460 1.00 0.00 C ATOM 462 C ASN A 35 -10.129 -10.088 -2.929 1.00 0.00 C ATOM 463 O ASN A 35 -11.129 -10.773 -2.716 1.00 0.00 O ATOM 464 CB ASN A 35 -7.735 -10.611 -2.415 1.00 0.00 C ATOM 465 CG ASN A 35 -7.557 -11.893 -1.624 1.00 0.00 C ATOM 466 OD1 ASN A 35 -6.788 -12.773 -2.010 1.00 0.00 O ATOM 467 ND2 ASN A 35 -8.269 -12.003 -0.509 1.00 0.00 N ATOM 0 H ASN A 35 -7.672 -9.413 -4.599 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.034 -11.774 -3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.798 -10.361 -2.912 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -7.961 -9.793 -1.730 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.191 -12.842 0.066 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.895 -11.248 -0.227 1.00 0.00 H new ATOM 474 N LYS A 36 -10.092 -8.770 -2.728 1.00 0.00 N ATOM 475 CA LYS A 36 -11.248 -8.022 -2.232 1.00 0.00 C ATOM 476 C LYS A 36 -10.842 -6.621 -1.788 1.00 0.00 C ATOM 477 O LYS A 36 -9.678 -6.237 -1.892 1.00 0.00 O ATOM 478 CB LYS A 36 -11.920 -8.757 -1.064 1.00 0.00 C ATOM 479 CG LYS A 36 -10.943 -9.247 -0.007 1.00 0.00 C ATOM 480 CD LYS A 36 -11.606 -10.215 0.960 1.00 0.00 C ATOM 481 CE LYS A 36 -11.843 -9.574 2.318 1.00 0.00 C ATOM 482 NZ LYS A 36 -10.582 -9.450 3.100 1.00 0.00 N ATOM 0 H LYS A 36 -9.268 -8.195 -2.903 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.960 -7.940 -3.053 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.644 -8.091 -0.596 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.477 -9.609 -1.454 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.098 -9.736 -0.491 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.545 -8.395 0.545 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -12.556 -10.551 0.545 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.979 -11.099 1.078 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -12.284 -8.587 2.182 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -12.562 -10.170 2.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.786 -9.008 4.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.174 -10.394 3.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.905 -8.860 2.575 1.00 0.00 H new ATOM 496 N ARG A 37 -11.816 -5.862 -1.294 1.00 0.00 N ATOM 497 CA ARG A 37 -11.566 -4.502 -0.834 1.00 0.00 C ATOM 498 C ARG A 37 -10.981 -4.504 0.575 1.00 0.00 C ATOM 499 O ARG A 37 -11.558 -5.078 1.497 1.00 0.00 O ATOM 500 CB ARG A 37 -12.861 -3.685 -0.862 1.00 0.00 C ATOM 501 CG ARG A 37 -12.892 -2.629 -1.954 1.00 0.00 C ATOM 502 CD ARG A 37 -13.749 -3.065 -3.132 1.00 0.00 C ATOM 503 NE ARG A 37 -14.870 -2.156 -3.361 1.00 0.00 N ATOM 504 CZ ARG A 37 -15.952 -2.477 -4.065 1.00 0.00 C ATOM 505 NH1 ARG A 37 -16.066 -3.681 -4.611 1.00 0.00 N ATOM 506 NH2 ARG A 37 -16.926 -1.591 -4.226 1.00 0.00 N ATOM 0 H ARG A 37 -12.785 -6.167 -1.202 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.842 -4.044 -1.508 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.704 -4.362 -0.999 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.995 -3.200 0.105 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -13.280 -1.695 -1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -11.877 -2.429 -2.296 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.133 -3.114 -4.030 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -14.129 -4.070 -2.951 1.00 0.00 H new ATOM 0 HE ARG A 37 -14.820 -1.221 -2.957 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -15.321 -4.367 -4.492 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -16.899 -3.920 -5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -16.845 -0.663 -3.810 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -17.756 -1.837 -4.766 1.00 0.00 H new ATOM 520 N LEU A 38 -9.832 -3.856 0.731 1.00 0.00 N ATOM 521 CA LEU A 38 -9.166 -3.780 2.026 1.00 0.00 C ATOM 522 C LEU A 38 -9.160 -2.347 2.548 1.00 0.00 C ATOM 523 O LEU A 38 -9.166 -1.393 1.770 1.00 0.00 O ATOM 524 CB LEU A 38 -7.735 -4.310 1.916 1.00 0.00 C ATOM 525 CG LEU A 38 -7.466 -5.599 2.694 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.529 -6.507 1.914 1.00 0.00 C ATOM 527 CD2 LEU A 38 -6.887 -5.282 4.063 1.00 0.00 C ATOM 0 H LEU A 38 -9.342 -3.375 -0.024 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.718 -4.399 2.733 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.507 -4.483 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.049 -3.540 2.269 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.412 -6.122 2.833 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.349 -7.419 2.483 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.982 -6.761 0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.583 -5.993 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.702 -6.210 4.603 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.950 -4.738 3.945 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.594 -4.670 4.624 1.00 0.00 H new ATOM 539 N TYR A 39 -9.152 -2.202 3.870 1.00 0.00 N ATOM 540 CA TYR A 39 -9.150 -0.884 4.491 1.00 0.00 C ATOM 541 C TYR A 39 -7.931 -0.696 5.389 1.00 0.00 C ATOM 542 O TYR A 39 -7.796 -1.361 6.416 1.00 0.00 O ATOM 543 CB TYR A 39 -10.430 -0.681 5.303 1.00 0.00 C ATOM 544 CG TYR A 39 -11.665 -0.497 4.451 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.765 0.564 3.559 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.730 -1.385 4.537 1.00 0.00 C ATOM 547 CE1 TYR A 39 -12.892 0.735 2.779 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.861 -1.220 3.760 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.937 -0.160 2.882 1.00 0.00 C ATOM 550 OH TYR A 39 -15.061 0.007 2.106 1.00 0.00 O ATOM 0 H TYR A 39 -9.147 -2.980 4.530 1.00 0.00 H new ATOM 0 HA TYR A 39 -9.105 -0.140 3.696 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.575 -1.540 5.957 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.308 0.192 5.945 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -10.949 1.266 3.474 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.673 -2.218 5.222 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -12.955 1.566 2.092 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.681 -1.918 3.840 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.701 -0.709 2.299 1.00 0.00 H new ATOM 560 N LYS A 40 -7.049 0.219 4.997 1.00 0.00 N ATOM 561 CA LYS A 40 -5.845 0.501 5.771 1.00 0.00 C ATOM 562 C LYS A 40 -5.601 2.006 5.860 1.00 0.00 C ATOM 563 O LYS A 40 -6.314 2.796 5.242 1.00 0.00 O ATOM 564 CB LYS A 40 -4.629 -0.202 5.154 1.00 0.00 C ATOM 565 CG LYS A 40 -4.129 0.436 3.868 1.00 0.00 C ATOM 566 CD LYS A 40 -5.089 0.196 2.713 1.00 0.00 C ATOM 567 CE LYS A 40 -5.646 1.502 2.171 1.00 0.00 C ATOM 568 NZ LYS A 40 -4.659 2.214 1.313 1.00 0.00 N ATOM 0 H LYS A 40 -7.146 0.777 4.149 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.992 0.116 6.780 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.818 -0.209 5.883 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.887 -1.242 4.955 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.001 1.508 4.019 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.149 0.030 3.617 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.574 -0.340 1.916 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.909 -0.440 3.046 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -6.549 1.300 1.595 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.936 2.146 3.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -4.921 3.218 1.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -3.711 2.133 1.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.654 1.789 0.364 1.00 0.00 H new ATOM 582 N ARG A 41 -4.593 2.395 6.634 1.00 0.00 N ATOM 583 CA ARG A 41 -4.264 3.807 6.802 1.00 0.00 C ATOM 584 C ARG A 41 -2.981 4.169 6.059 1.00 0.00 C ATOM 585 O ARG A 41 -2.108 3.325 5.853 1.00 0.00 O ATOM 586 CB ARG A 41 -4.122 4.147 8.288 1.00 0.00 C ATOM 587 CG ARG A 41 -3.061 3.329 9.008 1.00 0.00 C ATOM 588 CD ARG A 41 -3.225 3.411 10.516 1.00 0.00 C ATOM 589 NE ARG A 41 -2.681 4.654 11.060 1.00 0.00 N ATOM 590 CZ ARG A 41 -2.972 5.123 12.271 1.00 0.00 C ATOM 591 NH1 ARG A 41 -3.801 4.458 13.067 1.00 0.00 N ATOM 592 NH2 ARG A 41 -2.432 6.260 12.688 1.00 0.00 N ATOM 0 H ARG A 41 -3.992 1.755 7.153 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.080 4.392 6.377 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -3.880 5.205 8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.082 3.992 8.780 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.124 2.288 8.690 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.071 3.688 8.728 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.282 3.336 10.770 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -2.725 2.562 10.982 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.041 5.193 10.477 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.219 3.583 12.751 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -4.020 4.823 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -1.794 6.775 12.081 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -2.655 6.620 13.616 1.00 0.00 H new ATOM 606 N TYR A 42 -2.877 5.434 5.659 1.00 0.00 N ATOM 607 CA TYR A 42 -1.705 5.921 4.938 1.00 0.00 C ATOM 608 C TYR A 42 -0.426 5.631 5.716 1.00 0.00 C ATOM 609 O TYR A 42 0.579 5.208 5.145 1.00 0.00 O ATOM 610 CB TYR A 42 -1.831 7.423 4.683 1.00 0.00 C ATOM 611 CG TYR A 42 -0.864 7.949 3.645 1.00 0.00 C ATOM 612 CD1 TYR A 42 -1.180 7.918 2.293 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.366 8.479 4.020 1.00 0.00 C ATOM 614 CE1 TYR A 42 -0.300 8.400 1.343 1.00 0.00 C ATOM 615 CE2 TYR A 42 1.251 8.963 3.076 1.00 0.00 C ATOM 616 CZ TYR A 42 0.914 8.921 1.740 1.00 0.00 C ATOM 617 OH TYR A 42 1.792 9.403 0.796 1.00 0.00 O ATOM 0 H TYR A 42 -3.593 6.142 5.823 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.652 5.398 3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.849 7.644 4.362 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.669 7.956 5.620 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -2.129 7.510 1.979 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.634 8.513 5.066 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -0.561 8.369 0.296 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.202 9.372 3.383 1.00 0.00 H new ATOM 0 HH TYR A 42 2.600 9.735 1.240 1.00 0.00 H new ATOM 627 N SER A 43 -0.471 5.858 7.026 1.00 0.00 N ATOM 628 CA SER A 43 0.683 5.616 7.883 1.00 0.00 C ATOM 629 C SER A 43 1.140 4.165 7.783 1.00 0.00 C ATOM 630 O SER A 43 2.315 3.858 7.986 1.00 0.00 O ATOM 631 CB SER A 43 0.349 5.960 9.335 1.00 0.00 C ATOM 632 OG SER A 43 1.527 6.165 10.096 1.00 0.00 O ATOM 0 H SER A 43 -1.294 6.209 7.516 1.00 0.00 H new ATOM 0 HA SER A 43 1.496 6.258 7.544 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.268 6.858 9.366 1.00 0.00 H new ATOM 0 HB3 SER A 43 -0.237 5.154 9.777 1.00 0.00 H new ATOM 0 HG SER A 43 1.285 6.385 11.020 1.00 0.00 H new ATOM 638 N GLU A 44 0.204 3.275 7.466 1.00 0.00 N ATOM 639 CA GLU A 44 0.512 1.857 7.335 1.00 0.00 C ATOM 640 C GLU A 44 1.351 1.600 6.088 1.00 0.00 C ATOM 641 O GLU A 44 2.299 0.816 6.116 1.00 0.00 O ATOM 642 CB GLU A 44 -0.778 1.034 7.278 1.00 0.00 C ATOM 643 CG GLU A 44 -0.701 -0.272 8.051 1.00 0.00 C ATOM 644 CD GLU A 44 -1.474 -0.224 9.355 1.00 0.00 C ATOM 645 OE1 GLU A 44 -1.343 0.780 10.087 1.00 0.00 O ATOM 646 OE2 GLU A 44 -2.213 -1.189 9.644 1.00 0.00 O ATOM 0 H GLU A 44 -0.773 3.512 7.295 1.00 0.00 H new ATOM 0 HA GLU A 44 1.087 1.552 8.209 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.599 1.633 7.673 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.015 0.817 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.090 -1.080 7.432 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.343 -0.505 8.260 1.00 0.00 H new ATOM 653 N PHE A 45 0.997 2.268 4.994 1.00 0.00 N ATOM 654 CA PHE A 45 1.722 2.111 3.740 1.00 0.00 C ATOM 655 C PHE A 45 3.182 2.521 3.907 1.00 0.00 C ATOM 656 O PHE A 45 4.091 1.737 3.631 1.00 0.00 O ATOM 657 CB PHE A 45 1.065 2.941 2.635 1.00 0.00 C ATOM 658 CG PHE A 45 0.311 2.114 1.633 1.00 0.00 C ATOM 659 CD1 PHE A 45 -1.026 1.806 1.833 1.00 0.00 C ATOM 660 CD2 PHE A 45 0.939 1.645 0.489 1.00 0.00 C ATOM 661 CE1 PHE A 45 -1.721 1.045 0.913 1.00 0.00 C ATOM 662 CE2 PHE A 45 0.247 0.885 -0.435 1.00 0.00 C ATOM 663 CZ PHE A 45 -1.085 0.585 -0.222 1.00 0.00 C ATOM 0 H PHE A 45 0.215 2.921 4.952 1.00 0.00 H new ATOM 0 HA PHE A 45 1.688 1.059 3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.382 3.660 3.088 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.833 3.514 2.117 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -1.530 2.165 2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.980 1.876 0.318 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -2.762 0.810 1.082 1.00 0.00 H new ATOM 0 HE2 PHE A 45 0.747 0.526 -1.323 1.00 0.00 H new ATOM 0 HZ PHE A 45 -1.628 -0.009 -0.943 1.00 0.00 H new ATOM 673 N TRP A 46 3.403 3.748 4.369 1.00 0.00 N ATOM 674 CA TRP A 46 4.756 4.249 4.579 1.00 0.00 C ATOM 675 C TRP A 46 5.520 3.327 5.523 1.00 0.00 C ATOM 676 O TRP A 46 6.731 3.147 5.390 1.00 0.00 O ATOM 677 CB TRP A 46 4.719 5.673 5.147 1.00 0.00 C ATOM 678 CG TRP A 46 6.043 6.140 5.678 1.00 0.00 C ATOM 679 CD1 TRP A 46 6.530 5.950 6.940 1.00 0.00 C ATOM 680 CD2 TRP A 46 7.048 6.867 4.963 1.00 0.00 C ATOM 681 NE1 TRP A 46 7.777 6.513 7.053 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.117 7.083 5.854 1.00 0.00 C ATOM 683 CE3 TRP A 46 7.150 7.356 3.658 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.272 7.765 5.480 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.296 8.033 3.288 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.344 8.233 4.196 1.00 0.00 C ATOM 0 H TRP A 46 2.665 4.411 4.604 1.00 0.00 H new ATOM 0 HA TRP A 46 5.269 4.271 3.618 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.387 6.358 4.367 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.980 5.718 5.947 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.010 5.433 7.733 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.356 6.508 7.893 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.347 7.207 2.951 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.082 7.919 6.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.386 8.415 2.282 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.226 8.767 3.876 1.00 0.00 H new ATOM 697 N LYS A 47 4.801 2.744 6.477 1.00 0.00 N ATOM 698 CA LYS A 47 5.406 1.839 7.443 1.00 0.00 C ATOM 699 C LYS A 47 6.035 0.641 6.742 1.00 0.00 C ATOM 700 O LYS A 47 7.166 0.262 7.039 1.00 0.00 O ATOM 701 CB LYS A 47 4.360 1.363 8.453 1.00 0.00 C ATOM 702 CG LYS A 47 4.286 2.221 9.705 1.00 0.00 C ATOM 703 CD LYS A 47 3.058 1.889 10.535 1.00 0.00 C ATOM 704 CE LYS A 47 3.069 2.625 11.866 1.00 0.00 C ATOM 705 NZ LYS A 47 1.693 2.946 12.336 1.00 0.00 N ATOM 0 H LYS A 47 3.798 2.883 6.600 1.00 0.00 H new ATOM 0 HA LYS A 47 6.190 2.382 7.972 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.382 1.352 7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.586 0.336 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.184 2.070 10.305 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.263 3.274 9.425 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.159 2.154 9.979 1.00 0.00 H new ATOM 0 HD3 LYS A 47 3.017 0.814 10.713 1.00 0.00 H new ATOM 0 HE2 LYS A 47 3.575 2.014 12.614 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.642 3.547 11.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.745 3.447 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 1.219 3.550 11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 1.153 2.065 12.456 1.00 0.00 H new ATOM 719 N LEU A 48 5.295 0.048 5.812 1.00 0.00 N ATOM 720 CA LEU A 48 5.783 -1.111 5.071 1.00 0.00 C ATOM 721 C LEU A 48 6.991 -0.748 4.212 1.00 0.00 C ATOM 722 O LEU A 48 7.867 -1.578 3.973 1.00 0.00 O ATOM 723 CB LEU A 48 4.667 -1.677 4.188 1.00 0.00 C ATOM 724 CG LEU A 48 5.088 -2.817 3.260 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.381 -4.076 4.060 1.00 0.00 C ATOM 726 CD2 LEU A 48 4.009 -3.082 2.221 1.00 0.00 C ATOM 0 H LEU A 48 4.356 0.350 5.553 1.00 0.00 H new ATOM 0 HA LEU A 48 6.093 -1.867 5.792 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.861 -2.031 4.831 1.00 0.00 H new ATOM 0 HB3 LEU A 48 4.259 -0.868 3.582 1.00 0.00 H new ATOM 0 HG LEU A 48 6.000 -2.521 2.742 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.679 -4.876 3.383 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.188 -3.879 4.766 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.487 -4.377 4.606 1.00 0.00 H new ATOM 0 HD21 LEU A 48 4.324 -3.896 1.568 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.081 -3.357 2.722 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.847 -2.183 1.627 1.00 0.00 H new ATOM 738 N LYS A 49 7.026 0.494 3.743 1.00 0.00 N ATOM 739 CA LYS A 49 8.119 0.970 2.898 1.00 0.00 C ATOM 740 C LYS A 49 9.485 0.723 3.540 1.00 0.00 C ATOM 741 O LYS A 49 10.248 -0.132 3.087 1.00 0.00 O ATOM 742 CB LYS A 49 7.944 2.463 2.606 1.00 0.00 C ATOM 743 CG LYS A 49 8.132 2.821 1.140 1.00 0.00 C ATOM 744 CD LYS A 49 9.269 3.814 0.948 1.00 0.00 C ATOM 745 CE LYS A 49 8.943 5.165 1.566 1.00 0.00 C ATOM 746 NZ LYS A 49 8.633 6.191 0.532 1.00 0.00 N ATOM 0 H LYS A 49 6.308 1.193 3.934 1.00 0.00 H new ATOM 0 HA LYS A 49 8.083 0.407 1.966 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.948 2.773 2.922 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.659 3.028 3.204 1.00 0.00 H new ATOM 0 HG2 LYS A 49 8.337 1.917 0.567 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.208 3.244 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 49 10.179 3.417 1.398 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.468 3.939 -0.116 1.00 0.00 H new ATOM 0 HE2 LYS A 49 8.092 5.060 2.239 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.787 5.501 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 8.417 7.097 0.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 9.454 6.311 -0.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.812 5.883 -0.027 1.00 0.00 H new ATOM 760 N THR A 50 9.794 1.489 4.581 1.00 0.00 N ATOM 761 CA THR A 50 11.077 1.372 5.275 1.00 0.00 C ATOM 762 C THR A 50 11.404 -0.076 5.636 1.00 0.00 C ATOM 763 O THR A 50 12.564 -0.485 5.578 1.00 0.00 O ATOM 764 CB THR A 50 11.087 2.247 6.534 1.00 0.00 C ATOM 765 OG1 THR A 50 12.079 1.807 7.447 1.00 0.00 O ATOM 766 CG2 THR A 50 9.764 2.268 7.271 1.00 0.00 C ATOM 0 H THR A 50 9.173 2.201 4.966 1.00 0.00 H new ATOM 0 HA THR A 50 11.849 1.721 4.589 1.00 0.00 H new ATOM 0 HB THR A 50 11.297 3.254 6.175 1.00 0.00 H new ATOM 0 HG1 THR A 50 12.069 2.380 8.242 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.847 2.907 8.150 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.987 2.656 6.613 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.504 1.256 7.582 1.00 0.00 H new ATOM 774 N ARG A 51 10.390 -0.849 6.004 1.00 0.00 N ATOM 775 CA ARG A 51 10.603 -2.247 6.364 1.00 0.00 C ATOM 776 C ARG A 51 11.193 -3.012 5.189 1.00 0.00 C ATOM 777 O ARG A 51 12.298 -3.544 5.272 1.00 0.00 O ATOM 778 CB ARG A 51 9.293 -2.902 6.799 1.00 0.00 C ATOM 779 CG ARG A 51 8.521 -2.087 7.816 1.00 0.00 C ATOM 780 CD ARG A 51 8.976 -2.386 9.234 1.00 0.00 C ATOM 781 NE ARG A 51 10.134 -1.580 9.613 1.00 0.00 N ATOM 782 CZ ARG A 51 10.499 -1.350 10.873 1.00 0.00 C ATOM 783 NH1 ARG A 51 9.804 -1.869 11.878 1.00 0.00 N ATOM 784 NH2 ARG A 51 11.562 -0.600 11.128 1.00 0.00 N ATOM 0 H ARG A 51 9.421 -0.537 6.061 1.00 0.00 H new ATOM 0 HA ARG A 51 11.303 -2.277 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 51 8.666 -3.062 5.921 1.00 0.00 H new ATOM 0 HB3 ARG A 51 9.509 -3.884 7.220 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.652 -1.025 7.607 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.456 -2.301 7.722 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.157 -2.194 9.927 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.225 -3.444 9.321 1.00 0.00 H new ATOM 0 HE ARG A 51 10.697 -1.169 8.868 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.986 -2.447 11.687 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.088 -1.689 12.841 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.100 -0.199 10.359 1.00 0.00 H new ATOM 0 HH22 ARG A 51 11.842 -0.423 12.093 1.00 0.00 H new ATOM 798 N LEU A 52 10.446 -3.053 4.094 1.00 0.00 N ATOM 799 CA LEU A 52 10.886 -3.745 2.886 1.00 0.00 C ATOM 800 C LEU A 52 12.327 -3.381 2.535 1.00 0.00 C ATOM 801 O LEU A 52 13.052 -4.181 1.943 1.00 0.00 O ATOM 802 CB LEU A 52 9.967 -3.396 1.716 1.00 0.00 C ATOM 803 CG LEU A 52 8.497 -3.759 1.917 1.00 0.00 C ATOM 804 CD1 LEU A 52 7.622 -3.022 0.915 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.300 -5.262 1.798 1.00 0.00 C ATOM 0 H LEU A 52 9.529 -2.614 4.016 1.00 0.00 H new ATOM 0 HA LEU A 52 10.839 -4.817 3.078 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.038 -2.325 1.525 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.332 -3.904 0.823 1.00 0.00 H new ATOM 0 HG LEU A 52 8.200 -3.452 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.578 -3.294 1.074 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.742 -1.947 1.049 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.918 -3.296 -0.098 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.247 -5.504 1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.615 -5.593 0.808 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.897 -5.768 2.557 1.00 0.00 H new ATOM 817 N GLU A 53 12.733 -2.169 2.898 1.00 0.00 N ATOM 818 CA GLU A 53 14.087 -1.704 2.614 1.00 0.00 C ATOM 819 C GLU A 53 15.117 -2.433 3.475 1.00 0.00 C ATOM 820 O GLU A 53 16.081 -2.999 2.960 1.00 0.00 O ATOM 821 CB GLU A 53 14.189 -0.195 2.848 1.00 0.00 C ATOM 822 CG GLU A 53 13.887 0.634 1.610 1.00 0.00 C ATOM 823 CD GLU A 53 13.449 2.046 1.946 1.00 0.00 C ATOM 824 OE1 GLU A 53 12.301 2.218 2.406 1.00 0.00 O ATOM 825 OE2 GLU A 53 14.254 2.980 1.747 1.00 0.00 O ATOM 0 H GLU A 53 12.147 -1.493 3.388 1.00 0.00 H new ATOM 0 HA GLU A 53 14.301 -1.922 1.568 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.499 0.089 3.642 1.00 0.00 H new ATOM 0 HB3 GLU A 53 15.193 0.043 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.775 0.674 0.978 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.105 0.143 1.031 1.00 0.00 H new ATOM 832 N ARG A 54 14.910 -2.408 4.788 1.00 0.00 N ATOM 833 CA ARG A 54 15.823 -3.060 5.724 1.00 0.00 C ATOM 834 C ARG A 54 15.595 -4.568 5.771 1.00 0.00 C ATOM 835 O ARG A 54 16.499 -5.332 6.111 1.00 0.00 O ATOM 836 CB ARG A 54 15.647 -2.469 7.123 1.00 0.00 C ATOM 837 CG ARG A 54 14.246 -2.645 7.686 1.00 0.00 C ATOM 838 CD ARG A 54 14.071 -1.895 8.998 1.00 0.00 C ATOM 839 NE ARG A 54 14.245 -0.453 8.835 1.00 0.00 N ATOM 840 CZ ARG A 54 15.420 0.170 8.925 1.00 0.00 C ATOM 841 NH1 ARG A 54 16.530 -0.517 9.160 1.00 0.00 N ATOM 842 NH2 ARG A 54 15.483 1.486 8.771 1.00 0.00 N ATOM 0 H ARG A 54 14.117 -1.943 5.230 1.00 0.00 H new ATOM 0 HA ARG A 54 16.840 -2.882 5.375 1.00 0.00 H new ATOM 0 HB2 ARG A 54 16.363 -2.937 7.799 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.886 -1.406 7.092 1.00 0.00 H new ATOM 0 HG2 ARG A 54 13.515 -2.287 6.961 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.047 -3.705 7.843 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.078 -2.097 9.401 1.00 0.00 H new ATOM 0 HD3 ARG A 54 14.792 -2.267 9.726 1.00 0.00 H new ATOM 0 HE ARG A 54 13.417 0.111 8.641 1.00 0.00 H new ATOM 0 HH11 ARG A 54 16.489 -1.530 9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.425 -0.032 9.227 1.00 0.00 H new ATOM 0 HH21 ARG A 54 14.634 2.019 8.584 1.00 0.00 H new ATOM 0 HH22 ARG A 54 16.381 1.965 8.839 1.00 0.00 H new ATOM 856 N ASP A 55 14.384 -4.989 5.431 1.00 0.00 N ATOM 857 CA ASP A 55 14.033 -6.406 5.437 1.00 0.00 C ATOM 858 C ASP A 55 14.586 -7.099 4.201 1.00 0.00 C ATOM 859 O ASP A 55 15.120 -8.205 4.281 1.00 0.00 O ATOM 860 CB ASP A 55 12.514 -6.578 5.499 1.00 0.00 C ATOM 861 CG ASP A 55 12.101 -7.750 6.366 1.00 0.00 C ATOM 862 OD1 ASP A 55 12.108 -8.892 5.863 1.00 0.00 O ATOM 863 OD2 ASP A 55 11.769 -7.525 7.549 1.00 0.00 O ATOM 0 H ASP A 55 13.626 -4.369 5.147 1.00 0.00 H new ATOM 0 HA ASP A 55 14.476 -6.865 6.321 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.063 -5.665 5.888 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.126 -6.721 4.491 1.00 0.00 H new ATOM 868 N VAL A 56 14.460 -6.435 3.061 1.00 0.00 N ATOM 869 CA VAL A 56 14.952 -6.974 1.804 1.00 0.00 C ATOM 870 C VAL A 56 16.410 -6.596 1.597 1.00 0.00 C ATOM 871 O VAL A 56 17.168 -7.318 0.948 1.00 0.00 O ATOM 872 CB VAL A 56 14.124 -6.455 0.616 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.555 -7.134 -0.672 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.641 -6.661 0.876 1.00 0.00 C ATOM 0 H VAL A 56 14.019 -5.519 2.982 1.00 0.00 H new ATOM 0 HA VAL A 56 14.859 -8.059 1.853 1.00 0.00 H new ATOM 0 HB VAL A 56 14.303 -5.385 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 56 13.958 -6.754 -1.501 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.609 -6.926 -0.858 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.408 -8.210 -0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.068 -6.289 0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.440 -7.724 1.012 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.351 -6.118 1.776 1.00 0.00 H new ATOM 884 N GLY A 57 16.794 -5.455 2.156 1.00 0.00 N ATOM 885 CA GLY A 57 18.161 -4.988 2.026 1.00 0.00 C ATOM 886 C GLY A 57 18.366 -4.115 0.803 1.00 0.00 C ATOM 887 O GLY A 57 19.409 -3.478 0.656 1.00 0.00 O ATOM 0 H GLY A 57 16.182 -4.844 2.698 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.435 -4.426 2.919 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.831 -5.846 1.971 1.00 0.00 H new ATOM 891 N SER A 58 17.371 -4.085 -0.078 1.00 0.00 N ATOM 892 CA SER A 58 17.452 -3.283 -1.293 1.00 0.00 C ATOM 893 C SER A 58 16.595 -2.029 -1.171 1.00 0.00 C ATOM 894 O SER A 58 15.712 -1.950 -0.318 1.00 0.00 O ATOM 895 CB SER A 58 17.004 -4.105 -2.503 1.00 0.00 C ATOM 896 OG SER A 58 17.835 -5.238 -2.687 1.00 0.00 O ATOM 0 H SER A 58 16.500 -4.606 0.027 1.00 0.00 H new ATOM 0 HA SER A 58 18.490 -2.982 -1.433 1.00 0.00 H new ATOM 0 HB2 SER A 58 15.971 -4.426 -2.366 1.00 0.00 H new ATOM 0 HB3 SER A 58 17.028 -3.483 -3.398 1.00 0.00 H new ATOM 0 HG SER A 58 17.631 -5.657 -3.549 1.00 0.00 H new ATOM 902 N THR A 59 16.859 -1.051 -2.030 1.00 0.00 N ATOM 903 CA THR A 59 16.106 0.198 -2.017 1.00 0.00 C ATOM 904 C THR A 59 14.760 0.022 -2.714 1.00 0.00 C ATOM 905 O THR A 59 14.586 -0.885 -3.526 1.00 0.00 O ATOM 906 CB THR A 59 16.910 1.313 -2.691 1.00 0.00 C ATOM 907 OG1 THR A 59 16.329 2.578 -2.428 1.00 0.00 O ATOM 908 CG2 THR A 59 17.012 1.160 -4.194 1.00 0.00 C ATOM 0 H THR A 59 17.587 -1.098 -2.743 1.00 0.00 H new ATOM 0 HA THR A 59 15.923 0.477 -0.979 1.00 0.00 H new ATOM 0 HB THR A 59 17.912 1.240 -2.268 1.00 0.00 H new ATOM 0 HG1 THR A 59 16.857 3.278 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 59 17.595 1.984 -4.605 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.502 0.216 -4.431 1.00 0.00 H new ATOM 0 HG23 THR A 59 16.013 1.170 -4.629 1.00 0.00 H new ATOM 916 N ILE A 60 13.813 0.896 -2.393 1.00 0.00 N ATOM 917 CA ILE A 60 12.486 0.834 -2.991 1.00 0.00 C ATOM 918 C ILE A 60 12.301 1.944 -4.027 1.00 0.00 C ATOM 919 O ILE A 60 12.611 3.105 -3.760 1.00 0.00 O ATOM 920 CB ILE A 60 11.382 0.942 -1.917 1.00 0.00 C ATOM 921 CG1 ILE A 60 10.008 0.672 -2.535 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.413 2.309 -1.247 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.462 -0.701 -2.207 1.00 0.00 C ATOM 0 H ILE A 60 13.940 1.655 -1.723 1.00 0.00 H new ATOM 0 HA ILE A 60 12.400 -0.133 -3.486 1.00 0.00 H new ATOM 0 HB ILE A 60 11.570 0.187 -1.153 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.305 1.428 -2.185 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.077 0.779 -3.618 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.627 2.363 -0.494 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.382 2.459 -0.771 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.252 3.085 -1.996 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.486 -0.826 -2.676 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.145 -1.463 -2.582 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.361 -0.804 -1.127 1.00 0.00 H new ATOM 935 N PRO A 61 11.795 1.607 -5.231 1.00 0.00 N ATOM 936 CA PRO A 61 11.581 2.582 -6.301 1.00 0.00 C ATOM 937 C PRO A 61 10.288 3.381 -6.132 1.00 0.00 C ATOM 938 O PRO A 61 9.800 3.989 -7.086 1.00 0.00 O ATOM 939 CB PRO A 61 11.507 1.718 -7.575 1.00 0.00 C ATOM 940 CG PRO A 61 11.685 0.297 -7.133 1.00 0.00 C ATOM 941 CD PRO A 61 11.402 0.262 -5.659 1.00 0.00 C ATOM 0 HA PRO A 61 12.374 3.330 -6.317 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.550 1.851 -8.079 1.00 0.00 H new ATOM 0 HB3 PRO A 61 12.284 2.004 -8.284 1.00 0.00 H new ATOM 0 HG2 PRO A 61 11.006 -0.363 -7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.698 -0.048 -7.340 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.351 0.061 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 61 11.980 -0.511 -5.153 1.00 0.00 H new ATOM 949 N TYR A 62 9.733 3.378 -4.924 1.00 0.00 N ATOM 950 CA TYR A 62 8.498 4.105 -4.652 1.00 0.00 C ATOM 951 C TYR A 62 8.783 5.445 -3.987 1.00 0.00 C ATOM 952 O TYR A 62 9.701 5.566 -3.176 1.00 0.00 O ATOM 953 CB TYR A 62 7.578 3.268 -3.764 1.00 0.00 C ATOM 954 CG TYR A 62 7.090 2.006 -4.433 1.00 0.00 C ATOM 955 CD1 TYR A 62 6.590 2.035 -5.727 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.130 0.785 -3.771 1.00 0.00 C ATOM 957 CE1 TYR A 62 6.142 0.883 -6.345 1.00 0.00 C ATOM 958 CE2 TYR A 62 6.684 -0.371 -4.381 1.00 0.00 C ATOM 959 CZ TYR A 62 6.191 -0.318 -5.666 1.00 0.00 C ATOM 960 OH TYR A 62 5.745 -1.468 -6.274 1.00 0.00 O ATOM 0 H TYR A 62 10.118 2.882 -4.120 1.00 0.00 H new ATOM 0 HA TYR A 62 8.003 4.295 -5.604 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.109 3.004 -2.849 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.719 3.872 -3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.550 2.973 -6.260 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.516 0.739 -2.763 1.00 0.00 H new ATOM 0 HE1 TYR A 62 5.756 0.922 -7.353 1.00 0.00 H new ATOM 0 HE2 TYR A 62 6.722 -1.312 -3.853 1.00 0.00 H new ATOM 0 HH TYR A 62 4.875 -1.720 -5.900 1.00 0.00 H new ATOM 970 N ASP A 63 7.988 6.450 -4.338 1.00 0.00 N ATOM 971 CA ASP A 63 8.153 7.787 -3.776 1.00 0.00 C ATOM 972 C ASP A 63 6.802 8.459 -3.553 1.00 0.00 C ATOM 973 O ASP A 63 6.028 8.646 -4.491 1.00 0.00 O ATOM 974 CB ASP A 63 9.017 8.647 -4.700 1.00 0.00 C ATOM 975 CG ASP A 63 10.344 7.991 -5.028 1.00 0.00 C ATOM 976 OD1 ASP A 63 11.121 7.722 -4.088 1.00 0.00 O ATOM 977 OD2 ASP A 63 10.605 7.746 -6.225 1.00 0.00 O ATOM 0 H ASP A 63 7.224 6.365 -5.008 1.00 0.00 H new ATOM 0 HA ASP A 63 8.650 7.688 -2.811 1.00 0.00 H new ATOM 0 HB2 ASP A 63 8.473 8.842 -5.624 1.00 0.00 H new ATOM 0 HB3 ASP A 63 9.199 9.612 -4.228 1.00 0.00 H new ATOM 982 N PHE A 64 6.527 8.822 -2.304 1.00 0.00 N ATOM 983 CA PHE A 64 5.271 9.478 -1.957 1.00 0.00 C ATOM 984 C PHE A 64 5.454 10.405 -0.755 1.00 0.00 C ATOM 985 O PHE A 64 5.736 9.947 0.352 1.00 0.00 O ATOM 986 CB PHE A 64 4.194 8.434 -1.653 1.00 0.00 C ATOM 987 CG PHE A 64 4.663 7.330 -0.749 1.00 0.00 C ATOM 988 CD1 PHE A 64 5.547 6.368 -1.211 1.00 0.00 C ATOM 989 CD2 PHE A 64 4.219 7.255 0.561 1.00 0.00 C ATOM 990 CE1 PHE A 64 5.979 5.350 -0.383 1.00 0.00 C ATOM 991 CE2 PHE A 64 4.648 6.239 1.394 1.00 0.00 C ATOM 992 CZ PHE A 64 5.529 5.286 0.922 1.00 0.00 C ATOM 0 H PHE A 64 7.157 8.673 -1.516 1.00 0.00 H new ATOM 0 HA PHE A 64 4.955 10.078 -2.810 1.00 0.00 H new ATOM 0 HB2 PHE A 64 3.339 8.930 -1.193 1.00 0.00 H new ATOM 0 HB3 PHE A 64 3.845 8.001 -2.590 1.00 0.00 H new ATOM 0 HD1 PHE A 64 5.902 6.415 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 64 3.530 7.998 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 64 6.667 4.605 -0.755 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.294 6.190 2.413 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.866 4.492 1.572 1.00 0.00 H new ATOM 1002 N PRO A 65 5.298 11.728 -0.955 1.00 0.00 N ATOM 1003 CA PRO A 65 5.451 12.713 0.122 1.00 0.00 C ATOM 1004 C PRO A 65 4.556 12.411 1.318 1.00 0.00 C ATOM 1005 O PRO A 65 3.333 12.367 1.198 1.00 0.00 O ATOM 1006 CB PRO A 65 5.036 14.033 -0.534 1.00 0.00 C ATOM 1007 CG PRO A 65 5.254 13.819 -1.991 1.00 0.00 C ATOM 1008 CD PRO A 65 4.962 12.366 -2.240 1.00 0.00 C ATOM 0 HA PRO A 65 6.466 12.721 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 65 3.994 14.270 -0.321 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.635 14.865 -0.162 1.00 0.00 H new ATOM 0 HG2 PRO A 65 4.597 14.457 -2.582 1.00 0.00 H new ATOM 0 HG3 PRO A 65 6.277 14.066 -2.274 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.918 12.206 -2.508 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.565 11.969 -3.056 1.00 0.00 H new ATOM 1258 N TYR A 79 -7.914 16.386 9.208 1.00 0.00 N ATOM 1259 CA TYR A 79 -7.460 15.081 8.743 1.00 0.00 C ATOM 1260 C TYR A 79 -8.434 14.494 7.725 1.00 0.00 C ATOM 1261 O TYR A 79 -8.066 13.636 6.923 1.00 0.00 O ATOM 1262 CB TYR A 79 -7.294 14.121 9.925 1.00 0.00 C ATOM 1263 CG TYR A 79 -8.587 13.810 10.645 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -9.102 14.681 11.596 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -9.293 12.644 10.373 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -10.282 14.399 12.257 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -10.473 12.355 11.029 1.00 0.00 C ATOM 1268 CZ TYR A 79 -10.964 13.236 11.970 1.00 0.00 C ATOM 1269 OH TYR A 79 -12.140 12.953 12.626 1.00 0.00 O ATOM 0 HA TYR A 79 -6.494 15.214 8.256 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.856 13.190 9.566 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -6.588 14.552 10.635 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -8.571 15.594 11.823 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.912 11.952 9.636 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -10.668 15.086 12.995 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -11.009 11.444 10.807 1.00 0.00 H new ATOM 0 HH TYR A 79 -11.952 12.392 13.407 1.00 0.00 H new ATOM 1279 N ASP A 80 -9.678 14.965 7.760 1.00 0.00 N ATOM 1280 CA ASP A 80 -10.700 14.487 6.837 1.00 0.00 C ATOM 1281 C ASP A 80 -10.872 15.450 5.665 1.00 0.00 C ATOM 1282 O ASP A 80 -11.939 15.511 5.053 1.00 0.00 O ATOM 1283 CB ASP A 80 -12.033 14.311 7.567 1.00 0.00 C ATOM 1284 CG ASP A 80 -12.454 15.562 8.314 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -11.789 15.909 9.312 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -13.449 16.194 7.902 1.00 0.00 O ATOM 0 H ASP A 80 -10.001 15.676 8.417 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.377 13.523 6.445 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.806 14.044 6.846 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.952 13.482 8.270 1.00 0.00 H new ATOM 1291 N ASP A 81 -9.818 16.199 5.354 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.861 17.154 4.252 1.00 0.00 C ATOM 1293 C ASP A 81 -9.570 16.459 2.921 1.00 0.00 C ATOM 1294 O ASP A 81 -8.549 15.787 2.776 1.00 0.00 O ATOM 1295 CB ASP A 81 -8.852 18.279 4.485 1.00 0.00 C ATOM 1296 CG ASP A 81 -9.158 19.513 3.657 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -9.510 19.356 2.469 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -9.047 20.633 4.196 1.00 0.00 O ATOM 0 H ASP A 81 -8.926 16.163 5.848 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.864 17.579 4.209 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.848 18.546 5.542 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -7.851 17.921 4.243 1.00 0.00 H new ATOM 1303 N PRO A 82 -10.466 16.610 1.927 1.00 0.00 N ATOM 1304 CA PRO A 82 -10.295 15.989 0.608 1.00 0.00 C ATOM 1305 C PRO A 82 -9.017 16.440 -0.093 1.00 0.00 C ATOM 1306 O PRO A 82 -8.553 15.792 -1.031 1.00 0.00 O ATOM 1307 CB PRO A 82 -11.529 16.452 -0.180 1.00 0.00 C ATOM 1308 CG PRO A 82 -12.048 17.634 0.563 1.00 0.00 C ATOM 1309 CD PRO A 82 -11.709 17.394 2.006 1.00 0.00 C ATOM 0 HA PRO A 82 -10.207 14.905 0.687 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.266 16.716 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.279 15.663 -0.237 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.589 18.555 0.202 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.124 17.739 0.427 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.563 18.329 2.547 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.499 16.847 2.521 1.00 0.00 H new ATOM 1317 N GLU A 83 -8.451 17.554 0.363 1.00 0.00 N ATOM 1318 CA GLU A 83 -7.228 18.083 -0.228 1.00 0.00 C ATOM 1319 C GLU A 83 -6.083 17.085 -0.108 1.00 0.00 C ATOM 1320 O GLU A 83 -5.398 16.791 -1.088 1.00 0.00 O ATOM 1321 CB GLU A 83 -6.842 19.404 0.439 1.00 0.00 C ATOM 1322 CG GLU A 83 -7.524 20.618 -0.173 1.00 0.00 C ATOM 1323 CD GLU A 83 -6.790 21.143 -1.392 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -6.755 20.431 -2.417 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -6.252 22.268 -1.321 1.00 0.00 O ATOM 0 H GLU A 83 -8.819 18.106 1.138 1.00 0.00 H new ATOM 0 HA GLU A 83 -7.418 18.260 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -7.092 19.353 1.499 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.762 19.533 0.373 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -8.544 20.355 -0.452 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -7.592 21.408 0.575 1.00 0.00 H new ATOM 1332 N MET A 84 -5.883 16.559 1.096 1.00 0.00 N ATOM 1333 CA MET A 84 -4.822 15.586 1.334 1.00 0.00 C ATOM 1334 C MET A 84 -5.285 14.191 0.937 1.00 0.00 C ATOM 1335 O MET A 84 -4.514 13.396 0.400 1.00 0.00 O ATOM 1336 CB MET A 84 -4.402 15.590 2.806 1.00 0.00 C ATOM 1337 CG MET A 84 -4.325 16.979 3.423 1.00 0.00 C ATOM 1338 SD MET A 84 -4.416 16.941 5.225 1.00 0.00 S ATOM 1339 CE MET A 84 -5.905 15.975 5.470 1.00 0.00 C ATOM 0 H MET A 84 -6.439 16.789 1.920 1.00 0.00 H new ATOM 0 HA MET A 84 -3.963 15.866 0.724 1.00 0.00 H new ATOM 0 HB2 MET A 84 -5.109 14.989 3.377 1.00 0.00 H new ATOM 0 HB3 MET A 84 -3.428 15.109 2.897 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.393 17.457 3.120 1.00 0.00 H new ATOM 0 HG3 MET A 84 -5.139 17.591 3.034 1.00 0.00 H new ATOM 0 HE1 MET A 84 -6.455 16.365 6.326 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.530 16.037 4.579 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.637 14.934 5.654 1.00 0.00 H new ATOM 1349 N ILE A 85 -6.555 13.905 1.205 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.133 12.611 0.878 1.00 0.00 C ATOM 1351 C ILE A 85 -7.060 12.346 -0.624 1.00 0.00 C ATOM 1352 O ILE A 85 -6.781 11.226 -1.054 1.00 0.00 O ATOM 1353 CB ILE A 85 -8.603 12.524 1.347 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.674 12.588 2.874 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.265 11.252 0.836 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -9.820 13.431 3.391 1.00 0.00 C ATOM 0 H ILE A 85 -7.203 14.555 1.649 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.551 11.852 1.402 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.145 13.374 0.933 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.771 11.576 3.268 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.736 12.990 3.257 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.298 11.216 1.181 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.245 11.244 -0.254 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.726 10.384 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.809 13.431 4.481 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -9.713 14.453 3.027 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.764 13.017 3.038 1.00 0.00 H new ATOM 1368 N ASP A 86 -7.316 13.383 -1.417 1.00 0.00 N ATOM 1369 CA ASP A 86 -7.283 13.265 -2.873 1.00 0.00 C ATOM 1370 C ASP A 86 -5.994 12.599 -3.346 1.00 0.00 C ATOM 1371 O ASP A 86 -6.024 11.524 -3.944 1.00 0.00 O ATOM 1372 CB ASP A 86 -7.423 14.645 -3.519 1.00 0.00 C ATOM 1373 CG ASP A 86 -7.496 14.570 -5.032 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -6.503 14.134 -5.653 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -8.545 14.948 -5.596 1.00 0.00 O ATOM 0 H ASP A 86 -7.549 14.316 -1.076 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.121 12.638 -3.176 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.321 15.132 -3.138 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -6.576 15.267 -3.229 1.00 0.00 H new ATOM 1380 N GLU A 87 -4.864 13.244 -3.073 1.00 0.00 N ATOM 1381 CA GLU A 87 -3.567 12.710 -3.472 1.00 0.00 C ATOM 1382 C GLU A 87 -3.304 11.366 -2.805 1.00 0.00 C ATOM 1383 O GLU A 87 -2.836 10.425 -3.445 1.00 0.00 O ATOM 1384 CB GLU A 87 -2.453 13.698 -3.115 1.00 0.00 C ATOM 1385 CG GLU A 87 -2.289 14.820 -4.126 1.00 0.00 C ATOM 1386 CD GLU A 87 -1.713 14.340 -5.444 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -2.469 13.746 -6.240 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -0.506 14.558 -5.677 1.00 0.00 O ATOM 0 H GLU A 87 -4.820 14.135 -2.578 1.00 0.00 H new ATOM 0 HA GLU A 87 -3.579 12.562 -4.552 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.661 14.130 -2.136 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.511 13.156 -3.030 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.258 15.286 -4.306 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -1.638 15.588 -3.708 1.00 0.00 H new ATOM 1395 N ARG A 88 -3.614 11.278 -1.516 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.414 10.044 -0.766 1.00 0.00 C ATOM 1397 C ARG A 88 -4.162 8.882 -1.417 1.00 0.00 C ATOM 1398 O ARG A 88 -3.823 7.717 -1.206 1.00 0.00 O ATOM 1399 CB ARG A 88 -3.884 10.221 0.679 1.00 0.00 C ATOM 1400 CG ARG A 88 -2.833 10.838 1.588 1.00 0.00 C ATOM 1401 CD ARG A 88 -3.165 10.616 3.055 1.00 0.00 C ATOM 1402 NE ARG A 88 -4.173 11.557 3.536 1.00 0.00 N ATOM 1403 CZ ARG A 88 -4.826 11.420 4.688 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -4.581 10.381 5.478 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -5.727 12.322 5.050 1.00 0.00 N ATOM 0 H ARG A 88 -4.004 12.046 -0.970 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.349 9.814 -0.771 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.775 10.849 0.688 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.174 9.250 1.080 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -1.858 10.405 1.365 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.760 11.907 1.388 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -3.524 9.597 3.195 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -2.259 10.719 3.652 1.00 0.00 H new ATOM 0 HE ARG A 88 -4.389 12.367 2.955 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -3.890 9.683 5.203 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.084 10.281 6.360 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -5.920 13.121 4.446 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -6.227 12.217 5.933 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.180 9.207 -2.208 1.00 0.00 N ATOM 1420 CA ARG A 89 -5.977 8.193 -2.889 1.00 0.00 C ATOM 1421 C ARG A 89 -5.144 7.432 -3.915 1.00 0.00 C ATOM 1422 O ARG A 89 -5.205 6.205 -3.989 1.00 0.00 O ATOM 1423 CB ARG A 89 -7.181 8.838 -3.574 1.00 0.00 C ATOM 1424 CG ARG A 89 -8.405 7.938 -3.628 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.683 8.713 -3.346 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.873 7.975 -3.764 1.00 0.00 N ATOM 1427 CZ ARG A 89 -12.113 8.446 -3.656 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -12.331 9.650 -3.141 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -13.138 7.710 -4.062 1.00 0.00 N ATOM 0 H ARG A 89 -5.473 10.166 -2.393 1.00 0.00 H new ATOM 0 HA ARG A 89 -6.327 7.484 -2.139 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.439 9.757 -3.047 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.903 9.120 -4.589 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.471 7.471 -4.611 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.298 7.134 -2.900 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.747 8.931 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -9.649 9.671 -3.866 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.746 7.044 -4.162 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -11.546 10.220 -2.826 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -13.284 10.006 -3.061 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.976 6.784 -4.457 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -14.089 8.070 -3.980 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.367 8.164 -4.708 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.528 7.543 -5.729 1.00 0.00 C ATOM 1445 C ILE A 90 -2.102 7.350 -5.231 1.00 0.00 C ATOM 1446 O ILE A 90 -1.722 7.869 -4.181 1.00 0.00 O ATOM 1447 CB ILE A 90 -3.502 8.362 -7.037 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -3.280 9.850 -6.752 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -4.791 8.154 -7.816 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -1.885 10.172 -6.265 1.00 0.00 C ATOM 0 H ILE A 90 -4.300 9.181 -4.665 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.972 6.570 -5.939 1.00 0.00 H new ATOM 0 HB ILE A 90 -2.667 8.009 -7.642 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.479 10.419 -7.660 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -4.002 10.180 -6.005 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -4.758 8.738 -8.736 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.902 7.098 -8.060 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -5.638 8.477 -7.211 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -1.801 11.244 -6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.689 9.631 -5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -1.158 9.874 -7.020 1.00 0.00 H new ATOM 1462 N GLY A 91 -1.316 6.592 -5.990 1.00 0.00 N ATOM 1463 CA GLY A 91 0.060 6.335 -5.609 1.00 0.00 C ATOM 1464 C GLY A 91 0.215 5.034 -4.845 1.00 0.00 C ATOM 1465 O GLY A 91 1.237 4.357 -4.958 1.00 0.00 O ATOM 0 H GLY A 91 -1.608 6.151 -6.862 1.00 0.00 H new ATOM 0 HA2 GLY A 91 0.682 6.304 -6.503 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.424 7.159 -4.996 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.803 4.682 -4.065 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.778 3.454 -3.279 1.00 0.00 C ATOM 1471 C LEU A 92 -0.935 2.230 -4.175 1.00 0.00 C ATOM 1472 O LEU A 92 -0.231 1.233 -4.009 1.00 0.00 O ATOM 1473 CB LEU A 92 -1.888 3.475 -2.227 1.00 0.00 C ATOM 1474 CG LEU A 92 -1.868 4.680 -1.285 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.097 4.679 -0.391 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.597 4.680 -0.449 1.00 0.00 C ATOM 0 H LEU A 92 -1.656 5.231 -3.961 1.00 0.00 H new ATOM 0 HA LEU A 92 0.188 3.393 -2.778 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.851 3.448 -2.737 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.818 2.566 -1.630 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.884 5.589 -1.887 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -3.065 5.543 0.272 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.995 4.727 -1.007 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.113 3.766 0.204 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.599 5.544 0.216 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.551 3.766 0.144 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.271 4.730 -1.106 1.00 0.00 H new ATOM 1488 N GLU A 93 -1.862 2.311 -5.124 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.112 1.208 -6.046 1.00 0.00 C ATOM 1490 C GLU A 93 -0.845 0.844 -6.814 1.00 0.00 C ATOM 1491 O GLU A 93 -0.618 -0.322 -7.139 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.230 1.572 -7.024 1.00 0.00 C ATOM 1493 CG GLU A 93 -2.971 2.856 -7.795 1.00 0.00 C ATOM 1494 CD GLU A 93 -3.567 2.827 -9.188 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -3.467 1.776 -9.855 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -4.132 3.857 -9.613 1.00 0.00 O ATOM 0 H GLU A 93 -2.453 3.129 -5.275 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.422 0.343 -5.460 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.363 0.754 -7.732 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.165 1.672 -6.473 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.388 3.698 -7.242 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -1.896 3.022 -7.867 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.021 1.848 -7.098 1.00 0.00 N ATOM 1504 CA ARG A 94 1.224 1.629 -7.824 1.00 0.00 C ATOM 1505 C ARG A 94 2.263 0.971 -6.921 1.00 0.00 C ATOM 1506 O ARG A 94 3.107 0.204 -7.385 1.00 0.00 O ATOM 1507 CB ARG A 94 1.766 2.953 -8.365 1.00 0.00 C ATOM 1508 CG ARG A 94 1.142 3.371 -9.689 1.00 0.00 C ATOM 1509 CD ARG A 94 0.403 4.695 -9.567 1.00 0.00 C ATOM 1510 NE ARG A 94 0.497 5.488 -10.789 1.00 0.00 N ATOM 1511 CZ ARG A 94 1.631 6.015 -11.246 1.00 0.00 C ATOM 1512 NH1 ARG A 94 2.768 5.836 -10.586 1.00 0.00 N ATOM 1513 NH2 ARG A 94 1.626 6.724 -12.367 1.00 0.00 N ATOM 0 H ARG A 94 -0.193 2.819 -6.837 1.00 0.00 H new ATOM 0 HA ARG A 94 1.018 0.963 -8.662 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.591 3.736 -7.627 1.00 0.00 H new ATOM 0 HB3 ARG A 94 2.845 2.870 -8.492 1.00 0.00 H new ATOM 0 HG2 ARG A 94 1.920 3.457 -10.448 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.451 2.598 -10.026 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.646 4.505 -9.338 1.00 0.00 H new ATOM 0 HD3 ARG A 94 0.814 5.264 -8.733 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.356 5.648 -11.324 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.777 5.292 -9.723 1.00 0.00 H new ATOM 0 HH12 ARG A 94 3.633 6.242 -10.941 1.00 0.00 H new ATOM 0 HH21 ARG A 94 0.754 6.865 -12.878 1.00 0.00 H new ATOM 0 HH22 ARG A 94 2.494 7.128 -12.718 1.00 0.00 H new ATOM 1527 N PHE A 95 2.189 1.275 -5.630 1.00 0.00 N ATOM 1528 CA PHE A 95 3.118 0.716 -4.656 1.00 0.00 C ATOM 1529 C PHE A 95 3.018 -0.806 -4.621 1.00 0.00 C ATOM 1530 O PHE A 95 4.026 -1.503 -4.502 1.00 0.00 O ATOM 1531 CB PHE A 95 2.833 1.290 -3.267 1.00 0.00 C ATOM 1532 CG PHE A 95 3.893 0.971 -2.251 1.00 0.00 C ATOM 1533 CD1 PHE A 95 3.840 -0.208 -1.524 1.00 0.00 C ATOM 1534 CD2 PHE A 95 4.939 1.850 -2.022 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.812 -0.503 -0.586 1.00 0.00 C ATOM 1536 CE2 PHE A 95 5.914 1.561 -1.085 1.00 0.00 C ATOM 1537 CZ PHE A 95 5.850 0.382 -0.366 1.00 0.00 C ATOM 0 H PHE A 95 1.493 1.907 -5.233 1.00 0.00 H new ATOM 0 HA PHE A 95 4.130 0.988 -4.955 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.731 2.372 -3.345 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.876 0.905 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.031 -0.903 -1.692 1.00 0.00 H new ATOM 0 HD2 PHE A 95 4.994 2.772 -2.582 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.760 -1.425 -0.026 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.724 2.255 -0.915 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.610 0.153 0.366 1.00 0.00 H new ATOM 1547 N LEU A 96 1.795 -1.316 -4.723 1.00 0.00 N ATOM 1548 CA LEU A 96 1.562 -2.756 -4.701 1.00 0.00 C ATOM 1549 C LEU A 96 1.661 -3.354 -6.103 1.00 0.00 C ATOM 1550 O LEU A 96 2.018 -4.519 -6.266 1.00 0.00 O ATOM 1551 CB LEU A 96 0.187 -3.063 -4.103 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.235 -2.157 -2.944 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.689 -2.406 -2.576 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.667 -2.378 -1.739 1.00 0.00 C ATOM 0 H LEU A 96 0.950 -0.754 -4.822 1.00 0.00 H new ATOM 0 HA LEU A 96 2.334 -3.209 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.560 -2.988 -4.893 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.182 -4.096 -3.756 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.134 -1.120 -3.263 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.972 -1.753 -1.750 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.323 -2.197 -3.438 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.815 -3.446 -2.276 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.352 -1.726 -0.924 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.598 -3.418 -1.419 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.698 -2.149 -2.009 1.00 0.00 H new ATOM 1566 N ASN A 97 1.330 -2.553 -7.110 1.00 0.00 N ATOM 1567 CA ASN A 97 1.370 -3.009 -8.496 1.00 0.00 C ATOM 1568 C ASN A 97 2.760 -3.509 -8.887 1.00 0.00 C ATOM 1569 O ASN A 97 2.927 -4.670 -9.259 1.00 0.00 O ATOM 1570 CB ASN A 97 0.941 -1.882 -9.435 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.566 -1.769 -9.547 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -1.285 -2.758 -9.418 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.052 -0.557 -9.786 1.00 0.00 N ATOM 0 H ASN A 97 1.031 -1.585 -6.993 1.00 0.00 H new ATOM 0 HA ASN A 97 0.675 -3.844 -8.588 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.348 -0.937 -9.075 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.365 -2.055 -10.424 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.059 -0.419 -9.870 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -0.418 0.236 -9.886 1.00 0.00 H new ATOM 1580 N GLU A 98 3.751 -2.627 -8.811 1.00 0.00 N ATOM 1581 CA GLU A 98 5.121 -2.985 -9.169 1.00 0.00 C ATOM 1582 C GLU A 98 5.741 -3.935 -8.144 1.00 0.00 C ATOM 1583 O GLU A 98 6.786 -4.533 -8.398 1.00 0.00 O ATOM 1584 CB GLU A 98 5.982 -1.727 -9.302 1.00 0.00 C ATOM 1585 CG GLU A 98 7.156 -1.892 -10.253 1.00 0.00 C ATOM 1586 CD GLU A 98 6.743 -1.806 -11.710 1.00 0.00 C ATOM 1587 OE1 GLU A 98 6.180 -2.795 -12.226 1.00 0.00 O ATOM 1588 OE2 GLU A 98 6.982 -0.752 -12.334 1.00 0.00 O ATOM 0 H GLU A 98 3.633 -1.661 -8.506 1.00 0.00 H new ATOM 0 HA GLU A 98 5.086 -3.501 -10.128 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.357 -0.904 -9.649 1.00 0.00 H new ATOM 0 HB3 GLU A 98 6.359 -1.449 -8.318 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.899 -1.123 -10.044 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.634 -2.855 -10.071 1.00 0.00 H new ATOM 1595 N LEU A 99 5.097 -4.072 -6.988 1.00 0.00 N ATOM 1596 CA LEU A 99 5.599 -4.952 -5.939 1.00 0.00 C ATOM 1597 C LEU A 99 5.013 -6.355 -6.069 1.00 0.00 C ATOM 1598 O LEU A 99 5.746 -7.333 -6.220 1.00 0.00 O ATOM 1599 CB LEU A 99 5.270 -4.377 -4.561 1.00 0.00 C ATOM 1600 CG LEU A 99 6.121 -4.930 -3.418 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.550 -3.814 -2.479 1.00 0.00 C ATOM 1602 CD2 LEU A 99 5.360 -6.004 -2.658 1.00 0.00 C ATOM 0 H LEU A 99 4.230 -3.587 -6.755 1.00 0.00 H new ATOM 0 HA LEU A 99 6.681 -5.021 -6.050 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.392 -3.294 -4.596 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.220 -4.573 -4.342 1.00 0.00 H new ATOM 0 HG LEU A 99 7.017 -5.380 -3.846 1.00 0.00 H new ATOM 0 HD11 LEU A 99 7.155 -4.229 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 99 7.136 -3.079 -3.031 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.667 -3.332 -2.059 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.981 -6.386 -1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.446 -5.578 -2.244 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.106 -6.819 -3.336 1.00 0.00 H new ATOM 1614 N TYR A 100 3.690 -6.445 -6.003 1.00 0.00 N ATOM 1615 CA TYR A 100 3.000 -7.726 -6.107 1.00 0.00 C ATOM 1616 C TYR A 100 3.195 -8.353 -7.485 1.00 0.00 C ATOM 1617 O TYR A 100 3.120 -9.572 -7.638 1.00 0.00 O ATOM 1618 CB TYR A 100 1.504 -7.544 -5.829 1.00 0.00 C ATOM 1619 CG TYR A 100 1.163 -7.365 -4.363 1.00 0.00 C ATOM 1620 CD1 TYR A 100 2.119 -6.942 -3.445 1.00 0.00 C ATOM 1621 CD2 TYR A 100 -0.121 -7.618 -3.898 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.805 -6.779 -2.109 1.00 0.00 C ATOM 1623 CE2 TYR A 100 -0.443 -7.457 -2.563 1.00 0.00 C ATOM 1624 CZ TYR A 100 0.523 -7.037 -1.674 1.00 0.00 C ATOM 1625 OH TYR A 100 0.206 -6.875 -0.345 1.00 0.00 O ATOM 0 H TYR A 100 3.072 -5.644 -5.878 1.00 0.00 H new ATOM 0 HA TYR A 100 3.430 -8.397 -5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.146 -6.676 -6.383 1.00 0.00 H new ATOM 0 HB3 TYR A 100 0.966 -8.411 -6.213 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.124 -6.737 -3.782 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -0.881 -7.946 -4.591 1.00 0.00 H new ATOM 0 HE1 TYR A 100 2.560 -6.451 -1.410 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -1.446 -7.659 -2.219 1.00 0.00 H new ATOM 0 HH TYR A 100 0.767 -6.171 0.042 1.00 0.00 H new ATOM 1635 N ASN A 101 3.440 -7.515 -8.488 1.00 0.00 N ATOM 1636 CA ASN A 101 3.638 -7.993 -9.851 1.00 0.00 C ATOM 1637 C ASN A 101 5.120 -8.183 -10.157 1.00 0.00 C ATOM 1638 O ASN A 101 5.669 -7.542 -11.055 1.00 0.00 O ATOM 1639 CB ASN A 101 3.016 -7.016 -10.851 1.00 0.00 C ATOM 1640 CG ASN A 101 2.454 -7.717 -12.071 1.00 0.00 C ATOM 1641 OD1 ASN A 101 1.267 -7.598 -12.378 1.00 0.00 O ATOM 1642 ND2 ASN A 101 3.305 -8.455 -12.775 1.00 0.00 N ATOM 0 H ASN A 101 3.506 -6.503 -8.382 1.00 0.00 H new ATOM 0 HA ASN A 101 3.144 -8.960 -9.944 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.221 -6.455 -10.360 1.00 0.00 H new ATOM 0 HB3 ASN A 101 3.769 -6.294 -11.165 1.00 0.00 H new ATOM 0 HD21 ASN A 101 2.983 -8.951 -13.606 1.00 0.00 H new ATOM 0 HD22 ASN A 101 4.280 -8.526 -12.484 1.00 0.00 H new ATOM 1649 N ASP A 102 5.764 -9.073 -9.409 1.00 0.00 N ATOM 1650 CA ASP A 102 7.184 -9.350 -9.603 1.00 0.00 C ATOM 1651 C ASP A 102 7.400 -10.799 -10.029 1.00 0.00 C ATOM 1652 O ASP A 102 7.080 -11.729 -9.288 1.00 0.00 O ATOM 1653 CB ASP A 102 7.962 -9.063 -8.318 1.00 0.00 C ATOM 1654 CG ASP A 102 8.489 -7.643 -8.269 1.00 0.00 C ATOM 1655 OD1 ASP A 102 8.822 -7.095 -9.341 1.00 0.00 O ATOM 1656 OD2 ASP A 102 8.571 -7.077 -7.158 1.00 0.00 O ATOM 0 H ASP A 102 5.326 -9.615 -8.664 1.00 0.00 H new ATOM 0 HA ASP A 102 7.552 -8.697 -10.395 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.316 -9.238 -7.458 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.796 -9.760 -8.237 1.00 0.00 H new ATOM 1661 N ARG A 103 7.944 -10.985 -11.229 1.00 0.00 N ATOM 1662 CA ARG A 103 8.202 -12.323 -11.751 1.00 0.00 C ATOM 1663 C ARG A 103 9.680 -12.684 -11.629 1.00 0.00 C ATOM 1664 O ARG A 103 10.027 -13.832 -11.357 1.00 0.00 O ATOM 1665 CB ARG A 103 7.758 -12.420 -13.213 1.00 0.00 C ATOM 1666 CG ARG A 103 8.199 -11.241 -14.067 1.00 0.00 C ATOM 1667 CD ARG A 103 8.776 -11.698 -15.399 1.00 0.00 C ATOM 1668 NE ARG A 103 8.136 -11.031 -16.530 1.00 0.00 N ATOM 1669 CZ ARG A 103 8.551 -11.146 -17.790 1.00 0.00 C ATOM 1670 NH1 ARG A 103 9.603 -11.901 -18.083 1.00 0.00 N ATOM 1671 NH2 ARG A 103 7.912 -10.507 -18.760 1.00 0.00 N ATOM 0 H ARG A 103 8.214 -10.228 -11.857 1.00 0.00 H new ATOM 0 HA ARG A 103 7.626 -13.032 -11.157 1.00 0.00 H new ATOM 0 HB2 ARG A 103 8.157 -13.338 -13.644 1.00 0.00 H new ATOM 0 HB3 ARG A 103 6.671 -12.497 -13.249 1.00 0.00 H new ATOM 0 HG2 ARG A 103 7.349 -10.582 -14.245 1.00 0.00 H new ATOM 0 HG3 ARG A 103 8.946 -10.659 -13.527 1.00 0.00 H new ATOM 0 HD2 ARG A 103 9.847 -11.497 -15.418 1.00 0.00 H new ATOM 0 HD3 ARG A 103 8.652 -12.777 -15.497 1.00 0.00 H new ATOM 0 HE ARG A 103 7.324 -10.443 -16.344 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.098 -12.397 -17.341 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.917 -11.986 -19.050 1.00 0.00 H new ATOM 0 HH21 ARG A 103 7.102 -9.927 -18.541 1.00 0.00 H new ATOM 0 HH22 ARG A 103 8.230 -10.595 -19.725 1.00 0.00 H new ATOM 1685 N PHE A 104 10.545 -11.695 -11.828 1.00 0.00 N ATOM 1686 CA PHE A 104 11.986 -11.911 -11.735 1.00 0.00 C ATOM 1687 C PHE A 104 12.429 -11.953 -10.277 1.00 0.00 C ATOM 1688 O PHE A 104 13.115 -12.882 -9.851 1.00 0.00 O ATOM 1689 CB PHE A 104 12.739 -10.807 -12.481 1.00 0.00 C ATOM 1690 CG PHE A 104 13.245 -11.234 -13.830 1.00 0.00 C ATOM 1691 CD1 PHE A 104 14.090 -12.325 -13.953 1.00 0.00 C ATOM 1692 CD2 PHE A 104 12.876 -10.543 -14.973 1.00 0.00 C ATOM 1693 CE1 PHE A 104 14.556 -12.720 -15.193 1.00 0.00 C ATOM 1694 CE2 PHE A 104 13.339 -10.933 -16.215 1.00 0.00 C ATOM 1695 CZ PHE A 104 14.181 -12.023 -16.325 1.00 0.00 C ATOM 0 H PHE A 104 10.275 -10.738 -12.054 1.00 0.00 H new ATOM 0 HA PHE A 104 12.219 -12.870 -12.197 1.00 0.00 H new ATOM 0 HB2 PHE A 104 12.080 -9.948 -12.604 1.00 0.00 H new ATOM 0 HB3 PHE A 104 13.582 -10.478 -11.873 1.00 0.00 H new ATOM 0 HD1 PHE A 104 14.388 -12.873 -13.071 1.00 0.00 H new ATOM 0 HD2 PHE A 104 12.219 -9.690 -14.892 1.00 0.00 H new ATOM 0 HE1 PHE A 104 15.213 -13.573 -15.277 1.00 0.00 H new ATOM 0 HE2 PHE A 104 13.043 -10.387 -17.098 1.00 0.00 H new ATOM 0 HZ PHE A 104 14.545 -12.329 -17.294 1.00 0.00 H new ATOM 1705 N ASP A 105 12.027 -10.940 -9.517 1.00 0.00 N ATOM 1706 CA ASP A 105 12.375 -10.858 -8.103 1.00 0.00 C ATOM 1707 C ASP A 105 11.175 -10.414 -7.277 1.00 0.00 C ATOM 1708 O ASP A 105 10.776 -9.249 -7.318 1.00 0.00 O ATOM 1709 CB ASP A 105 13.536 -9.886 -7.896 1.00 0.00 C ATOM 1710 CG ASP A 105 14.884 -10.525 -8.170 1.00 0.00 C ATOM 1711 OD1 ASP A 105 15.183 -11.567 -7.550 1.00 0.00 O ATOM 1712 OD2 ASP A 105 15.639 -9.982 -9.003 1.00 0.00 O ATOM 0 H ASP A 105 11.459 -10.164 -9.857 1.00 0.00 H new ATOM 0 HA ASP A 105 12.679 -11.851 -7.771 1.00 0.00 H new ATOM 0 HB2 ASP A 105 13.406 -9.025 -8.551 1.00 0.00 H new ATOM 0 HB3 ASP A 105 13.516 -9.513 -6.872 1.00 0.00 H new ATOM 1717 N SER A 106 10.600 -11.348 -6.529 1.00 0.00 N ATOM 1718 CA SER A 106 9.443 -11.050 -5.695 1.00 0.00 C ATOM 1719 C SER A 106 9.841 -10.929 -4.228 1.00 0.00 C ATOM 1720 O SER A 106 9.026 -11.155 -3.335 1.00 0.00 O ATOM 1721 CB SER A 106 8.375 -12.134 -5.856 1.00 0.00 C ATOM 1722 OG SER A 106 8.606 -12.914 -7.016 1.00 0.00 O ATOM 0 H SER A 106 10.916 -12.317 -6.483 1.00 0.00 H new ATOM 0 HA SER A 106 9.033 -10.094 -6.021 1.00 0.00 H new ATOM 0 HB2 SER A 106 8.372 -12.778 -4.977 1.00 0.00 H new ATOM 0 HB3 SER A 106 7.390 -11.671 -5.916 1.00 0.00 H new ATOM 0 HG SER A 106 8.108 -12.535 -7.770 1.00 0.00 H new ATOM 1728 N ARG A 107 11.095 -10.564 -3.986 1.00 0.00 N ATOM 1729 CA ARG A 107 11.591 -10.405 -2.624 1.00 0.00 C ATOM 1730 C ARG A 107 10.781 -9.349 -1.880 1.00 0.00 C ATOM 1731 O ARG A 107 10.665 -9.384 -0.655 1.00 0.00 O ATOM 1732 CB ARG A 107 13.069 -10.013 -2.639 1.00 0.00 C ATOM 1733 CG ARG A 107 13.916 -10.885 -3.550 1.00 0.00 C ATOM 1734 CD ARG A 107 14.921 -10.063 -4.341 1.00 0.00 C ATOM 1735 NE ARG A 107 15.659 -9.130 -3.491 1.00 0.00 N ATOM 1736 CZ ARG A 107 16.982 -8.965 -3.531 1.00 0.00 C ATOM 1737 NH1 ARG A 107 17.725 -9.654 -4.389 1.00 0.00 N ATOM 1738 NH2 ARG A 107 17.563 -8.100 -2.712 1.00 0.00 N ATOM 0 H ARG A 107 11.785 -10.373 -4.713 1.00 0.00 H new ATOM 0 HA ARG A 107 11.483 -11.358 -2.107 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.158 -8.974 -2.957 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.463 -10.071 -1.624 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.444 -11.629 -2.954 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.269 -11.429 -4.238 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.623 -10.731 -4.840 1.00 0.00 H new ATOM 0 HD3 ARG A 107 14.400 -9.508 -5.121 1.00 0.00 H new ATOM 0 HE ARG A 107 15.128 -8.569 -2.825 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.285 -10.318 -5.026 1.00 0.00 H new ATOM 0 HH12 ARG A 107 18.736 -9.520 -4.411 1.00 0.00 H new ATOM 0 HH21 ARG A 107 16.999 -7.563 -2.054 1.00 0.00 H new ATOM 0 HH22 ARG A 107 18.574 -7.971 -2.740 1.00 0.00 H new ATOM 1752 N TRP A 108 10.221 -8.412 -2.637 1.00 0.00 N ATOM 1753 CA TRP A 108 9.417 -7.339 -2.065 1.00 0.00 C ATOM 1754 C TRP A 108 8.066 -7.860 -1.579 1.00 0.00 C ATOM 1755 O TRP A 108 7.617 -7.517 -0.486 1.00 0.00 O ATOM 1756 CB TRP A 108 9.210 -6.230 -3.097 1.00 0.00 C ATOM 1757 CG TRP A 108 10.493 -5.675 -3.634 1.00 0.00 C ATOM 1758 CD1 TRP A 108 11.051 -5.928 -4.855 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.383 -4.775 -2.966 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.232 -5.237 -4.986 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.457 -4.522 -3.838 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.373 -4.157 -1.713 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.511 -3.678 -3.497 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.418 -3.319 -1.375 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.475 -3.087 -2.264 1.00 0.00 C ATOM 0 H TRP A 108 10.310 -8.374 -3.652 1.00 0.00 H new ATOM 0 HA TRP A 108 9.954 -6.936 -1.206 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.616 -6.619 -3.924 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.635 -5.423 -2.643 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.626 -6.576 -5.607 1.00 0.00 H new ATOM 0 HE1 TRP A 108 12.841 -5.253 -5.804 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.563 -4.331 -1.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.327 -3.497 -4.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.420 -2.835 -0.410 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.278 -2.428 -1.970 1.00 0.00 H new ATOM 1776 N ARG A 109 7.422 -8.688 -2.398 1.00 0.00 N ATOM 1777 CA ARG A 109 6.122 -9.248 -2.044 1.00 0.00 C ATOM 1778 C ARG A 109 6.279 -10.509 -1.197 1.00 0.00 C ATOM 1779 O ARG A 109 5.380 -10.872 -0.438 1.00 0.00 O ATOM 1780 CB ARG A 109 5.311 -9.562 -3.304 1.00 0.00 C ATOM 1781 CG ARG A 109 6.007 -10.515 -4.262 1.00 0.00 C ATOM 1782 CD ARG A 109 5.604 -11.957 -4.005 1.00 0.00 C ATOM 1783 NE ARG A 109 4.171 -12.166 -4.191 1.00 0.00 N ATOM 1784 CZ ARG A 109 3.609 -13.365 -4.329 1.00 0.00 C ATOM 1785 NH1 ARG A 109 4.354 -14.463 -4.302 1.00 0.00 N ATOM 1786 NH2 ARG A 109 2.297 -13.466 -4.496 1.00 0.00 N ATOM 0 H ARG A 109 7.778 -8.984 -3.307 1.00 0.00 H new ATOM 0 HA ARG A 109 5.587 -8.503 -1.455 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.354 -9.992 -3.010 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.095 -8.630 -3.827 1.00 0.00 H new ATOM 0 HG2 ARG A 109 5.760 -10.245 -5.289 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.087 -10.414 -4.157 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.156 -12.613 -4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.882 -12.235 -2.989 1.00 0.00 H new ATOM 0 HE ARG A 109 3.565 -11.346 -4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.364 -14.391 -4.175 1.00 0.00 H new ATOM 0 HH12 ARG A 109 3.917 -15.379 -4.408 1.00 0.00 H new ATOM 0 HH21 ARG A 109 1.720 -12.625 -4.519 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.866 -14.384 -4.602 1.00 0.00 H new ATOM 1800 N ASP A 110 7.423 -11.172 -1.331 1.00 0.00 N ATOM 1801 CA ASP A 110 7.694 -12.391 -0.577 1.00 0.00 C ATOM 1802 C ASP A 110 7.913 -12.081 0.901 1.00 0.00 C ATOM 1803 O ASP A 110 7.649 -12.916 1.765 1.00 0.00 O ATOM 1804 CB ASP A 110 8.918 -13.108 -1.146 1.00 0.00 C ATOM 1805 CG ASP A 110 9.005 -14.552 -0.692 1.00 0.00 C ATOM 1806 OD1 ASP A 110 7.942 -15.180 -0.504 1.00 0.00 O ATOM 1807 OD2 ASP A 110 10.136 -15.054 -0.523 1.00 0.00 O ATOM 0 H ASP A 110 8.178 -10.886 -1.955 1.00 0.00 H new ATOM 0 HA ASP A 110 6.825 -13.043 -0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 110 8.882 -13.074 -2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.820 -12.579 -0.840 1.00 0.00 H new ATOM 1812 N THR A 111 8.401 -10.875 1.184 1.00 0.00 N ATOM 1813 CA THR A 111 8.660 -10.451 2.556 1.00 0.00 C ATOM 1814 C THR A 111 7.465 -10.743 3.462 1.00 0.00 C ATOM 1815 O THR A 111 6.314 -10.629 3.043 1.00 0.00 O ATOM 1816 CB THR A 111 8.986 -8.956 2.592 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.108 -8.433 1.281 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.270 -8.646 3.328 1.00 0.00 C ATOM 0 H THR A 111 8.625 -10.173 0.478 1.00 0.00 H new ATOM 0 HA THR A 111 9.514 -11.017 2.926 1.00 0.00 H new ATOM 0 HB THR A 111 8.155 -8.493 3.124 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.246 -8.066 0.993 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.445 -7.570 3.318 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.191 -8.991 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 111 11.101 -9.153 2.838 1.00 0.00 H new ATOM 1826 N LYS A 112 7.750 -11.118 4.705 1.00 0.00 N ATOM 1827 CA LYS A 112 6.701 -11.422 5.670 1.00 0.00 C ATOM 1828 C LYS A 112 5.847 -10.189 5.943 1.00 0.00 C ATOM 1829 O LYS A 112 4.645 -10.295 6.191 1.00 0.00 O ATOM 1830 CB LYS A 112 7.312 -11.933 6.976 1.00 0.00 C ATOM 1831 CG LYS A 112 8.480 -11.094 7.471 1.00 0.00 C ATOM 1832 CD LYS A 112 8.464 -10.952 8.983 1.00 0.00 C ATOM 1833 CE LYS A 112 9.705 -10.237 9.490 1.00 0.00 C ATOM 1834 NZ LYS A 112 9.394 -9.317 10.618 1.00 0.00 N ATOM 0 H LYS A 112 8.698 -11.218 5.067 1.00 0.00 H new ATOM 0 HA LYS A 112 6.065 -12.200 5.248 1.00 0.00 H new ATOM 0 HB2 LYS A 112 6.540 -11.955 7.745 1.00 0.00 H new ATOM 0 HB3 LYS A 112 7.648 -12.960 6.833 1.00 0.00 H new ATOM 0 HG2 LYS A 112 9.418 -11.553 7.158 1.00 0.00 H new ATOM 0 HG3 LYS A 112 8.440 -10.106 7.012 1.00 0.00 H new ATOM 0 HD2 LYS A 112 7.575 -10.400 9.288 1.00 0.00 H new ATOM 0 HD3 LYS A 112 8.399 -11.939 9.441 1.00 0.00 H new ATOM 0 HE2 LYS A 112 10.441 -10.973 9.814 1.00 0.00 H new ATOM 0 HE3 LYS A 112 10.157 -9.672 8.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 10.267 -8.849 10.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 8.711 -8.599 10.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 8.986 -9.859 11.406 1.00 0.00 H new ATOM 1848 N ILE A 113 6.475 -9.019 5.893 1.00 0.00 N ATOM 1849 CA ILE A 113 5.773 -7.764 6.132 1.00 0.00 C ATOM 1850 C ILE A 113 4.744 -7.497 5.039 1.00 0.00 C ATOM 1851 O ILE A 113 3.646 -7.013 5.313 1.00 0.00 O ATOM 1852 CB ILE A 113 6.754 -6.575 6.202 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.552 -6.464 4.903 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.693 -6.728 7.389 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.532 -5.311 4.894 1.00 0.00 C ATOM 0 H ILE A 113 7.469 -8.914 5.689 1.00 0.00 H new ATOM 0 HA ILE A 113 5.265 -7.861 7.091 1.00 0.00 H new ATOM 0 HB ILE A 113 6.177 -5.660 6.334 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.096 -7.394 4.739 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.860 -6.349 4.069 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.378 -5.881 7.423 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.112 -6.762 8.311 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.263 -7.651 7.285 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.063 -5.293 3.942 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.992 -4.373 5.026 1.00 0.00 H new ATOM 0 HD13 ILE A 113 9.248 -5.435 5.707 1.00 0.00 H new ATOM 1867 N ALA A 114 5.107 -7.817 3.802 1.00 0.00 N ATOM 1868 CA ALA A 114 4.214 -7.614 2.669 1.00 0.00 C ATOM 1869 C ALA A 114 3.036 -8.580 2.725 1.00 0.00 C ATOM 1870 O ALA A 114 1.917 -8.234 2.348 1.00 0.00 O ATOM 1871 CB ALA A 114 4.974 -7.781 1.362 1.00 0.00 C ATOM 0 H ALA A 114 6.013 -8.218 3.559 1.00 0.00 H new ATOM 0 HA ALA A 114 3.823 -6.598 2.721 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.295 -7.627 0.524 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.781 -7.050 1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.392 -8.786 1.310 1.00 0.00 H new ATOM 1877 N GLN A 115 3.298 -9.793 3.200 1.00 0.00 N ATOM 1878 CA GLN A 115 2.261 -10.812 3.309 1.00 0.00 C ATOM 1879 C GLN A 115 1.221 -10.419 4.352 1.00 0.00 C ATOM 1880 O GLN A 115 0.038 -10.727 4.210 1.00 0.00 O ATOM 1881 CB GLN A 115 2.879 -12.165 3.668 1.00 0.00 C ATOM 1882 CG GLN A 115 4.171 -12.465 2.922 1.00 0.00 C ATOM 1883 CD GLN A 115 4.088 -13.731 2.092 1.00 0.00 C ATOM 1884 OE1 GLN A 115 4.771 -14.716 2.372 1.00 0.00 O ATOM 1885 NE2 GLN A 115 3.248 -13.710 1.064 1.00 0.00 N ATOM 0 H GLN A 115 4.220 -10.094 3.516 1.00 0.00 H new ATOM 0 HA GLN A 115 1.765 -10.895 2.342 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.074 -12.192 4.740 1.00 0.00 H new ATOM 0 HB3 GLN A 115 2.156 -12.953 3.456 1.00 0.00 H new ATOM 0 HG2 GLN A 115 4.414 -11.625 2.272 1.00 0.00 H new ATOM 0 HG3 GLN A 115 4.986 -12.559 3.639 1.00 0.00 H new ATOM 0 HE21 GLN A 115 2.701 -12.871 0.869 1.00 0.00 H new ATOM 0 HE22 GLN A 115 3.149 -14.533 0.469 1.00 0.00 H new ATOM 1894 N ASP A 116 1.670 -9.735 5.402 1.00 0.00 N ATOM 1895 CA ASP A 116 0.775 -9.297 6.468 1.00 0.00 C ATOM 1896 C ASP A 116 0.165 -7.933 6.147 1.00 0.00 C ATOM 1897 O ASP A 116 -0.826 -7.529 6.756 1.00 0.00 O ATOM 1898 CB ASP A 116 1.527 -9.232 7.798 1.00 0.00 C ATOM 1899 CG ASP A 116 1.386 -10.508 8.606 1.00 0.00 C ATOM 1900 OD1 ASP A 116 0.238 -10.905 8.891 1.00 0.00 O ATOM 1901 OD2 ASP A 116 2.425 -11.109 8.953 1.00 0.00 O ATOM 0 H ASP A 116 2.647 -9.473 5.536 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.033 -10.024 6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.583 -9.042 7.606 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.153 -8.392 8.383 1.00 0.00 H new ATOM 1906 N PHE A 117 0.763 -7.227 5.190 1.00 0.00 N ATOM 1907 CA PHE A 117 0.283 -5.910 4.790 1.00 0.00 C ATOM 1908 C PHE A 117 -1.212 -5.926 4.482 1.00 0.00 C ATOM 1909 O PHE A 117 -1.958 -5.060 4.940 1.00 0.00 O ATOM 1910 CB PHE A 117 1.058 -5.427 3.563 1.00 0.00 C ATOM 1911 CG PHE A 117 0.885 -3.964 3.286 1.00 0.00 C ATOM 1912 CD1 PHE A 117 1.259 -3.021 4.227 1.00 0.00 C ATOM 1913 CD2 PHE A 117 0.347 -3.533 2.085 1.00 0.00 C ATOM 1914 CE1 PHE A 117 1.101 -1.671 3.977 1.00 0.00 C ATOM 1915 CE2 PHE A 117 0.186 -2.185 1.827 1.00 0.00 C ATOM 1916 CZ PHE A 117 0.563 -1.253 2.774 1.00 0.00 C ATOM 0 H PHE A 117 1.584 -7.548 4.677 1.00 0.00 H new ATOM 0 HA PHE A 117 0.447 -5.227 5.623 1.00 0.00 H new ATOM 0 HB2 PHE A 117 2.118 -5.639 3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.734 -5.995 2.691 1.00 0.00 H new ATOM 0 HD1 PHE A 117 1.679 -3.344 5.168 1.00 0.00 H new ATOM 0 HD2 PHE A 117 0.050 -4.258 1.342 1.00 0.00 H new ATOM 0 HE1 PHE A 117 1.397 -0.945 4.719 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.234 -1.861 0.886 1.00 0.00 H new ATOM 0 HZ PHE A 117 0.438 -0.199 2.575 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.643 -6.908 3.696 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.050 -7.023 3.324 1.00 0.00 C ATOM 1928 C LEU A 118 -3.722 -8.197 4.032 1.00 0.00 C ATOM 1929 O LEU A 118 -4.765 -8.680 3.591 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.183 -7.187 1.807 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.675 -6.007 0.972 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.181 -6.114 -0.459 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -3.103 -4.684 1.589 1.00 0.00 C ATOM 0 H LEU A 118 -1.041 -7.633 3.305 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.552 -6.107 3.636 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.640 -8.083 1.506 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.233 -7.355 1.567 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.586 -6.041 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -2.812 -5.269 -1.040 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.823 -7.043 -0.903 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.271 -6.107 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.731 -3.861 0.979 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -4.191 -4.639 1.635 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.694 -4.603 2.596 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.127 -8.655 5.130 1.00 0.00 N ATOM 1946 CA GLN A 119 -3.683 -9.772 5.885 1.00 0.00 C ATOM 1947 C GLN A 119 -3.861 -10.990 4.986 1.00 0.00 C ATOM 1948 O GLN A 119 -4.932 -11.595 4.943 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.025 -9.376 6.505 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.031 -7.982 7.113 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.401 -7.573 7.620 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -7.140 -8.388 8.171 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -6.745 -6.305 7.433 1.00 0.00 N ATOM 0 H GLN A 119 -2.264 -8.271 5.515 1.00 0.00 H new ATOM 0 HA GLN A 119 -2.987 -10.028 6.683 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.799 -9.432 5.740 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.286 -10.100 7.277 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.317 -7.945 7.936 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -4.694 -7.263 6.367 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -6.100 -5.664 6.971 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -7.655 -5.971 7.751 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.802 -11.342 4.264 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.838 -12.485 3.361 1.00 0.00 C ATOM 1964 C LEU A 120 -2.392 -13.758 4.070 1.00 0.00 C ATOM 1965 O LEU A 120 -1.730 -14.612 3.480 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.950 -12.225 2.140 1.00 0.00 C ATOM 1967 CG LEU A 120 -1.927 -10.776 1.649 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.645 -10.491 0.885 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -3.144 -10.488 0.782 1.00 0.00 C ATOM 0 H LEU A 120 -1.908 -10.851 4.287 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.868 -12.621 3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.931 -12.527 2.381 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -2.287 -12.863 1.323 1.00 0.00 H new ATOM 0 HG LEU A 120 -1.960 -10.118 2.517 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.647 -9.456 0.544 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.212 -10.656 1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.579 -11.156 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.111 -9.453 0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -3.142 -11.154 -0.081 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.052 -10.650 1.363 1.00 0.00 H new