USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=21 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 Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.0796 (180deg=-0.413) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 TYR OH : rot 155:sc= -4.87! USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -5:sc= 0.439 USER MOD Single : A 35 ASN : amide:sc= -0.0465 X(o=-0.047,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= -0.084 (180deg=-0.435) USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 151:sc= -0.632 (180deg=-1.49) USER MOD Single : A 42 TYR OH : rot -74:sc= 0.341 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.0279) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 64:sc= 0.102 USER MOD Single : A 62 TYR OH : rot 150:sc= -2.64 USER MOD Single : A 79 TYR OH : rot -101:sc= 0.999 USER MOD Single : A 84 MET CE :methyl 148:sc= -0.535 (180deg=-2.26!) USER MOD Single : A 97 ASN : amide:sc= -2.09 K(o=-2.1,f=-0.59!) USER MOD Single : A 100 TYR OH : rot 30:sc= 0 USER MOD Single : A 101 ASN : amide:sc= -7.32! C(o=-7.3!,f=-13!) USER MOD Single : A 106 SER OG : rot 57:sc= 0.43 USER MOD Single : A 111 THR OG1 : rot 94:sc= 0.575 USER MOD Single : A 112 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0364) USER MOD Single : A 115 GLN : amide:sc= -0.0959 K(o=-0.096,f=-0.71) USER MOD Single : A 119 GLN : amide:sc= -0.233 X(o=-0.23,f=0) USER MOD ----------------------------------------------------------------- ATOM 90 N LEU A 13 -0.820 -6.169 -11.267 1.00 0.00 N ATOM 91 CA LEU A 13 -1.814 -6.652 -10.317 1.00 0.00 C ATOM 92 C LEU A 13 -3.040 -5.745 -10.305 1.00 0.00 C ATOM 93 O LEU A 13 -2.924 -4.527 -10.446 1.00 0.00 O ATOM 94 CB LEU A 13 -1.212 -6.735 -8.913 1.00 0.00 C ATOM 95 CG LEU A 13 -2.155 -7.272 -7.834 1.00 0.00 C ATOM 96 CD1 LEU A 13 -2.331 -8.776 -7.982 1.00 0.00 C ATOM 97 CD2 LEU A 13 -1.633 -6.927 -6.446 1.00 0.00 C ATOM 0 HA LEU A 13 -2.125 -7.649 -10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.328 -7.371 -8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.877 -5.740 -8.619 1.00 0.00 H new ATOM 0 HG LEU A 13 -3.128 -6.798 -7.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.005 -9.142 -7.207 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.752 -8.998 -8.963 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.363 -9.267 -7.883 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.317 -7.317 -5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -0.648 -7.372 -6.307 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.560 -5.844 -6.344 1.00 0.00 H new ATOM 109 N ARG A 14 -4.214 -6.344 -10.138 1.00 0.00 N ATOM 110 CA ARG A 14 -5.461 -5.588 -10.112 1.00 0.00 C ATOM 111 C ARG A 14 -5.636 -4.866 -8.780 1.00 0.00 C ATOM 112 O ARG A 14 -6.001 -5.474 -7.775 1.00 0.00 O ATOM 113 CB ARG A 14 -6.651 -6.514 -10.362 1.00 0.00 C ATOM 114 CG ARG A 14 -6.479 -7.415 -11.574 1.00 0.00 C ATOM 115 CD ARG A 14 -7.645 -8.378 -11.723 1.00 0.00 C ATOM 116 NE ARG A 14 -8.882 -7.689 -12.083 1.00 0.00 N ATOM 117 CZ ARG A 14 -9.967 -8.307 -12.546 1.00 0.00 C ATOM 118 NH1 ARG A 14 -9.972 -9.625 -12.703 1.00 0.00 N ATOM 119 NH2 ARG A 14 -11.050 -7.604 -12.850 1.00 0.00 N ATOM 0 H ARG A 14 -4.328 -7.351 -10.019 1.00 0.00 H new ATOM 0 HA ARG A 14 -5.417 -4.842 -10.905 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -6.810 -7.133 -9.479 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -7.549 -5.910 -10.494 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -6.393 -6.805 -12.473 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -5.550 -7.978 -11.481 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -7.408 -9.119 -12.486 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -7.790 -8.919 -10.788 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.917 -6.676 -11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.142 -10.170 -12.469 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -10.806 -10.093 -13.058 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -11.051 -6.591 -12.729 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -11.882 -8.076 -13.205 1.00 0.00 H new ATOM 133 N ILE A 15 -5.378 -3.564 -8.782 1.00 0.00 N ATOM 134 CA ILE A 15 -5.511 -2.754 -7.577 1.00 0.00 C ATOM 135 C ILE A 15 -6.157 -1.409 -7.898 1.00 0.00 C ATOM 136 O ILE A 15 -5.565 -0.572 -8.579 1.00 0.00 O ATOM 137 CB ILE A 15 -4.143 -2.519 -6.899 1.00 0.00 C ATOM 138 CG1 ILE A 15 -3.547 -3.846 -6.430 1.00 0.00 C ATOM 139 CG2 ILE A 15 -4.279 -1.557 -5.726 1.00 0.00 C ATOM 140 CD1 ILE A 15 -2.037 -3.884 -6.484 1.00 0.00 C ATOM 0 H ILE A 15 -5.075 -3.045 -9.606 1.00 0.00 H new ATOM 0 HA ILE A 15 -6.150 -3.305 -6.887 1.00 0.00 H new ATOM 0 HB ILE A 15 -3.471 -2.072 -7.632 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.871 -4.039 -5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.945 -4.652 -7.047 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.303 -1.406 -5.264 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.663 -0.601 -6.082 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.968 -1.974 -4.991 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.685 -4.855 -6.137 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.705 -3.723 -7.510 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.630 -3.101 -5.844 1.00 0.00 H new ATOM 152 N LYS A 16 -7.371 -1.211 -7.399 1.00 0.00 N ATOM 153 CA LYS A 16 -8.100 0.031 -7.629 1.00 0.00 C ATOM 154 C LYS A 16 -8.720 0.537 -6.332 1.00 0.00 C ATOM 155 O LYS A 16 -9.668 -0.054 -5.815 1.00 0.00 O ATOM 156 CB LYS A 16 -9.188 -0.177 -8.684 1.00 0.00 C ATOM 157 CG LYS A 16 -8.650 -0.641 -10.028 1.00 0.00 C ATOM 158 CD LYS A 16 -9.462 -0.071 -11.180 1.00 0.00 C ATOM 159 CE LYS A 16 -9.509 -1.032 -12.357 1.00 0.00 C ATOM 160 NZ LYS A 16 -9.414 -0.319 -13.660 1.00 0.00 N ATOM 0 H LYS A 16 -7.872 -1.895 -6.832 1.00 0.00 H new ATOM 0 HA LYS A 16 -7.395 0.779 -7.993 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -9.904 -0.911 -8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -9.732 0.757 -8.822 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.609 -0.335 -10.129 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -8.668 -1.730 -10.072 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -10.476 0.142 -10.842 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.027 0.876 -11.499 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -8.691 -1.748 -12.274 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -10.437 -1.603 -12.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.450 -1.009 -14.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.209 0.346 -13.751 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -8.517 0.206 -13.704 1.00 0.00 H new ATOM 174 N VAL A 17 -8.174 1.628 -5.808 1.00 0.00 N ATOM 175 CA VAL A 17 -8.673 2.208 -4.567 1.00 0.00 C ATOM 176 C VAL A 17 -9.777 3.224 -4.839 1.00 0.00 C ATOM 177 O VAL A 17 -9.524 4.303 -5.374 1.00 0.00 O ATOM 178 CB VAL A 17 -7.549 2.894 -3.761 1.00 0.00 C ATOM 179 CG1 VAL A 17 -7.827 2.784 -2.270 1.00 0.00 C ATOM 180 CG2 VAL A 17 -6.189 2.296 -4.097 1.00 0.00 C ATOM 0 H VAL A 17 -7.387 2.128 -6.222 1.00 0.00 H new ATOM 0 HA VAL A 17 -9.074 1.382 -3.979 1.00 0.00 H new ATOM 0 HB VAL A 17 -7.528 3.948 -4.037 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.027 3.272 -1.714 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -8.776 3.268 -2.040 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -7.878 1.733 -1.986 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -5.417 2.798 -3.515 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -6.190 1.233 -3.858 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.986 2.428 -5.160 1.00 0.00 H new ATOM 190 N ASP A 18 -11.001 2.871 -4.463 1.00 0.00 N ATOM 191 CA ASP A 18 -12.146 3.752 -4.664 1.00 0.00 C ATOM 192 C ASP A 18 -13.028 3.792 -3.419 1.00 0.00 C ATOM 193 O ASP A 18 -14.223 4.075 -3.502 1.00 0.00 O ATOM 194 CB ASP A 18 -12.966 3.288 -5.870 1.00 0.00 C ATOM 195 CG ASP A 18 -13.376 4.439 -6.767 1.00 0.00 C ATOM 196 OD1 ASP A 18 -14.055 5.364 -6.272 1.00 0.00 O ATOM 197 OD2 ASP A 18 -13.018 4.418 -7.963 1.00 0.00 O ATOM 0 H ASP A 18 -11.226 1.981 -4.018 1.00 0.00 H new ATOM 0 HA ASP A 18 -11.771 4.758 -4.853 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -12.383 2.570 -6.448 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.858 2.767 -5.521 1.00 0.00 H new ATOM 202 N ASP A 19 -12.430 3.510 -2.264 1.00 0.00 N ATOM 203 CA ASP A 19 -13.162 3.517 -1.004 1.00 0.00 C ATOM 204 C ASP A 19 -12.380 4.264 0.072 1.00 0.00 C ATOM 205 O ASP A 19 -11.179 4.052 0.239 1.00 0.00 O ATOM 206 CB ASP A 19 -13.445 2.085 -0.545 1.00 0.00 C ATOM 207 CG ASP A 19 -14.823 1.607 -0.960 1.00 0.00 C ATOM 208 OD1 ASP A 19 -15.317 2.062 -2.012 1.00 0.00 O ATOM 209 OD2 ASP A 19 -15.407 0.776 -0.232 1.00 0.00 O ATOM 0 H ASP A 19 -11.441 3.274 -2.176 1.00 0.00 H new ATOM 0 HA ASP A 19 -14.109 4.032 -1.165 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -12.691 1.417 -0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -13.356 2.030 0.540 1.00 0.00 H new ATOM 214 N VAL A 20 -13.068 5.139 0.798 1.00 0.00 N ATOM 215 CA VAL A 20 -12.436 5.916 1.856 1.00 0.00 C ATOM 216 C VAL A 20 -13.426 6.241 2.968 1.00 0.00 C ATOM 217 O VAL A 20 -14.432 6.914 2.740 1.00 0.00 O ATOM 218 CB VAL A 20 -11.843 7.230 1.312 1.00 0.00 C ATOM 219 CG1 VAL A 20 -11.019 7.928 2.382 1.00 0.00 C ATOM 220 CG2 VAL A 20 -11.004 6.963 0.071 1.00 0.00 C ATOM 0 H VAL A 20 -14.063 5.327 0.673 1.00 0.00 H new ATOM 0 HA VAL A 20 -11.631 5.302 2.259 1.00 0.00 H new ATOM 0 HB VAL A 20 -12.664 7.890 1.032 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -10.609 8.854 1.979 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -11.653 8.155 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -10.204 7.276 2.696 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -10.593 7.902 -0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -10.189 6.284 0.322 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -11.628 6.511 -0.700 1.00 0.00 H new ATOM 230 N LYS A 21 -13.133 5.762 4.172 1.00 0.00 N ATOM 231 CA LYS A 21 -13.997 6.004 5.322 1.00 0.00 C ATOM 232 C LYS A 21 -13.409 7.087 6.221 1.00 0.00 C ATOM 233 O LYS A 21 -12.456 6.844 6.960 1.00 0.00 O ATOM 234 CB LYS A 21 -14.194 4.714 6.119 1.00 0.00 C ATOM 235 CG LYS A 21 -15.357 3.867 5.628 1.00 0.00 C ATOM 236 CD LYS A 21 -15.263 2.439 6.141 1.00 0.00 C ATOM 237 CE LYS A 21 -15.387 2.382 7.655 1.00 0.00 C ATOM 238 NZ LYS A 21 -16.640 3.028 8.133 1.00 0.00 N ATOM 0 H LYS A 21 -12.304 5.204 4.377 1.00 0.00 H new ATOM 0 HA LYS A 21 -14.965 6.345 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -13.279 4.123 6.070 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.356 4.965 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -16.296 4.312 5.957 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.371 3.863 4.538 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.049 1.836 5.687 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.311 2.004 5.836 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.367 1.342 7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -14.528 2.876 8.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.826 2.740 9.115 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -16.536 4.062 8.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -17.434 2.734 7.529 1.00 0.00 H new ATOM 252 N ILE A 22 -13.984 8.284 6.151 1.00 0.00 N ATOM 253 CA ILE A 22 -13.515 9.403 6.957 1.00 0.00 C ATOM 254 C ILE A 22 -13.957 9.257 8.409 1.00 0.00 C ATOM 255 O ILE A 22 -15.083 9.605 8.763 1.00 0.00 O ATOM 256 CB ILE A 22 -14.035 10.747 6.410 1.00 0.00 C ATOM 257 CG1 ILE A 22 -13.870 10.812 4.890 1.00 0.00 C ATOM 258 CG2 ILE A 22 -13.303 11.901 7.075 1.00 0.00 C ATOM 259 CD1 ILE A 22 -12.427 10.777 4.437 1.00 0.00 C ATOM 0 H ILE A 22 -14.775 8.502 5.545 1.00 0.00 H new ATOM 0 HA ILE A 22 -12.426 9.394 6.906 1.00 0.00 H new ATOM 0 HB ILE A 22 -15.097 10.827 6.640 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -14.405 9.976 4.439 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.336 11.725 4.521 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -13.678 12.845 6.681 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -13.469 11.865 8.152 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -12.235 11.821 6.870 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.386 10.827 3.349 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -11.892 11.628 4.859 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -11.962 9.851 4.776 1.00 0.00 H new ATOM 271 N ASN A 23 -13.063 8.742 9.247 1.00 0.00 N ATOM 272 CA ASN A 23 -13.362 8.554 10.660 1.00 0.00 C ATOM 273 C ASN A 23 -12.751 9.675 11.496 1.00 0.00 C ATOM 274 O ASN A 23 -11.698 10.212 11.152 1.00 0.00 O ATOM 275 CB ASN A 23 -12.840 7.198 11.141 1.00 0.00 C ATOM 276 CG ASN A 23 -13.889 6.107 11.049 1.00 0.00 C ATOM 277 OD1 ASN A 23 -14.503 5.734 12.048 1.00 0.00 O ATOM 278 ND2 ASN A 23 -14.098 5.590 9.844 1.00 0.00 N ATOM 0 H ASN A 23 -12.126 8.448 8.971 1.00 0.00 H new ATOM 0 HA ASN A 23 -14.445 8.580 10.784 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -11.972 6.914 10.546 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -12.503 7.287 12.174 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -14.791 4.852 9.719 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -13.565 5.930 9.044 1.00 0.00 H new ATOM 285 N PRO A 24 -13.405 10.045 12.611 1.00 0.00 N ATOM 286 CA PRO A 24 -12.919 11.108 13.497 1.00 0.00 C ATOM 287 C PRO A 24 -11.513 10.835 14.021 1.00 0.00 C ATOM 288 O PRO A 24 -10.820 11.748 14.470 1.00 0.00 O ATOM 289 CB PRO A 24 -13.931 11.119 14.652 1.00 0.00 C ATOM 290 CG PRO A 24 -14.654 9.818 14.555 1.00 0.00 C ATOM 291 CD PRO A 24 -14.662 9.458 13.099 1.00 0.00 C ATOM 0 HA PRO A 24 -12.846 12.062 12.974 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -13.429 11.219 15.614 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -14.620 11.959 14.563 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -14.155 9.049 15.144 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -15.670 9.906 14.941 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -14.689 8.379 12.949 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -15.529 9.873 12.585 1.00 0.00 H new ATOM 299 N LYS A 25 -11.096 9.573 13.964 1.00 0.00 N ATOM 300 CA LYS A 25 -9.775 9.184 14.433 1.00 0.00 C ATOM 301 C LYS A 25 -8.758 9.250 13.290 1.00 0.00 C ATOM 302 O LYS A 25 -7.626 9.696 13.480 1.00 0.00 O ATOM 303 CB LYS A 25 -9.842 7.778 15.049 1.00 0.00 C ATOM 304 CG LYS A 25 -8.623 6.911 14.787 1.00 0.00 C ATOM 305 CD LYS A 25 -8.422 5.880 15.887 1.00 0.00 C ATOM 306 CE LYS A 25 -7.079 6.057 16.580 1.00 0.00 C ATOM 307 NZ LYS A 25 -7.179 6.960 17.760 1.00 0.00 N ATOM 0 H LYS A 25 -11.656 8.804 13.597 1.00 0.00 H new ATOM 0 HA LYS A 25 -9.444 9.881 15.203 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -9.978 7.874 16.126 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -10.724 7.268 14.661 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -8.736 6.404 13.829 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -7.737 7.541 14.712 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -9.225 5.967 16.619 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -8.484 4.878 15.463 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.703 5.084 16.898 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.356 6.463 15.872 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -6.244 7.055 18.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.513 7.896 17.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -7.850 6.561 18.447 1.00 0.00 H new ATOM 321 N TYR A 26 -9.174 8.819 12.101 1.00 0.00 N ATOM 322 CA TYR A 26 -8.303 8.847 10.928 1.00 0.00 C ATOM 323 C TYR A 26 -9.066 8.446 9.669 1.00 0.00 C ATOM 324 O TYR A 26 -10.138 7.846 9.743 1.00 0.00 O ATOM 325 CB TYR A 26 -7.083 7.937 11.117 1.00 0.00 C ATOM 326 CG TYR A 26 -7.374 6.620 11.805 1.00 0.00 C ATOM 327 CD1 TYR A 26 -8.473 5.846 11.449 1.00 0.00 C ATOM 328 CD2 TYR A 26 -6.539 6.148 12.811 1.00 0.00 C ATOM 329 CE1 TYR A 26 -8.732 4.643 12.077 1.00 0.00 C ATOM 330 CE2 TYR A 26 -6.792 4.944 13.443 1.00 0.00 C ATOM 331 CZ TYR A 26 -7.888 4.196 13.072 1.00 0.00 C ATOM 332 OH TYR A 26 -8.143 2.998 13.700 1.00 0.00 O ATOM 0 H TYR A 26 -10.107 8.447 11.924 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.951 9.872 10.810 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.646 7.732 10.140 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.332 8.475 11.696 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.135 6.191 10.669 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -5.678 6.731 13.104 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.591 4.055 11.790 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -6.134 4.592 14.223 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.453 2.829 14.375 1.00 0.00 H new ATOM 342 N VAL A 27 -8.509 8.787 8.512 1.00 0.00 N ATOM 343 CA VAL A 27 -9.135 8.463 7.236 1.00 0.00 C ATOM 344 C VAL A 27 -8.578 7.161 6.671 1.00 0.00 C ATOM 345 O VAL A 27 -7.394 7.069 6.348 1.00 0.00 O ATOM 346 CB VAL A 27 -8.927 9.591 6.206 1.00 0.00 C ATOM 347 CG1 VAL A 27 -9.730 9.319 4.943 1.00 0.00 C ATOM 348 CG2 VAL A 27 -9.304 10.936 6.806 1.00 0.00 C ATOM 0 H VAL A 27 -7.624 9.288 8.432 1.00 0.00 H new ATOM 0 HA VAL A 27 -10.203 8.348 7.424 1.00 0.00 H new ATOM 0 HB VAL A 27 -7.871 9.621 5.936 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.570 10.127 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.407 8.376 4.503 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -10.790 9.260 5.191 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -9.151 11.721 6.065 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -10.352 10.920 7.106 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.680 11.133 7.678 1.00 0.00 H new ATOM 358 N LEU A 28 -9.439 6.154 6.555 1.00 0.00 N ATOM 359 CA LEU A 28 -9.032 4.855 6.034 1.00 0.00 C ATOM 360 C LEU A 28 -9.202 4.796 4.519 1.00 0.00 C ATOM 361 O LEU A 28 -9.952 5.580 3.938 1.00 0.00 O ATOM 362 CB LEU A 28 -9.844 3.739 6.693 1.00 0.00 C ATOM 363 CG LEU A 28 -9.717 3.660 8.216 1.00 0.00 C ATOM 364 CD1 LEU A 28 -10.469 2.452 8.753 1.00 0.00 C ATOM 365 CD2 LEU A 28 -8.252 3.603 8.626 1.00 0.00 C ATOM 0 H LEU A 28 -10.423 6.214 6.815 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.977 4.714 6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -10.895 3.875 6.438 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -9.534 2.785 6.268 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.160 4.558 8.645 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -10.367 2.413 9.838 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -11.524 2.534 8.490 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.056 1.543 8.317 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.180 3.547 9.712 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -7.785 2.722 8.186 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.741 4.499 8.274 1.00 0.00 H new ATOM 377 N TYR A 29 -8.496 3.864 3.885 1.00 0.00 N ATOM 378 CA TYR A 29 -8.566 3.706 2.437 1.00 0.00 C ATOM 379 C TYR A 29 -8.815 2.252 2.055 1.00 0.00 C ATOM 380 O TYR A 29 -8.043 1.364 2.417 1.00 0.00 O ATOM 381 CB TYR A 29 -7.272 4.199 1.789 1.00 0.00 C ATOM 382 CG TYR A 29 -7.193 5.703 1.667 1.00 0.00 C ATOM 383 CD1 TYR A 29 -6.675 6.476 2.697 1.00 0.00 C ATOM 384 CD2 TYR A 29 -7.636 6.348 0.519 1.00 0.00 C ATOM 385 CE1 TYR A 29 -6.602 7.852 2.588 1.00 0.00 C ATOM 386 CE2 TYR A 29 -7.565 7.723 0.402 1.00 0.00 C ATOM 387 CZ TYR A 29 -7.048 8.470 1.440 1.00 0.00 C ATOM 388 OH TYR A 29 -6.975 9.839 1.328 1.00 0.00 O ATOM 0 H TYR A 29 -7.870 3.208 4.351 1.00 0.00 H new ATOM 0 HA TYR A 29 -9.401 4.304 2.073 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -6.424 3.845 2.375 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -7.181 3.757 0.797 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.323 5.995 3.598 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.042 5.766 -0.295 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -6.197 8.440 3.399 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -7.912 8.210 -0.497 1.00 0.00 H new ATOM 0 HH TYR A 29 -6.938 10.088 0.381 1.00 0.00 H new ATOM 398 N GLY A 30 -9.895 2.016 1.317 1.00 0.00 N ATOM 399 CA GLY A 30 -10.223 0.668 0.894 1.00 0.00 C ATOM 400 C GLY A 30 -9.558 0.296 -0.415 1.00 0.00 C ATOM 401 O GLY A 30 -9.997 0.722 -1.484 1.00 0.00 O ATOM 0 H GLY A 30 -10.548 2.734 1.005 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.917 -0.037 1.667 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -11.304 0.576 0.788 1.00 0.00 H new ATOM 405 N VAL A 31 -8.494 -0.497 -0.334 1.00 0.00 N ATOM 406 CA VAL A 31 -7.765 -0.923 -1.524 1.00 0.00 C ATOM 407 C VAL A 31 -8.381 -2.183 -2.119 1.00 0.00 C ATOM 408 O VAL A 31 -8.289 -3.266 -1.541 1.00 0.00 O ATOM 409 CB VAL A 31 -6.281 -1.188 -1.210 1.00 0.00 C ATOM 410 CG1 VAL A 31 -5.500 -1.435 -2.491 1.00 0.00 C ATOM 411 CG2 VAL A 31 -5.685 -0.028 -0.429 1.00 0.00 C ATOM 0 H VAL A 31 -8.117 -0.857 0.543 1.00 0.00 H new ATOM 0 HA VAL A 31 -7.834 -0.110 -2.247 1.00 0.00 H new ATOM 0 HB VAL A 31 -6.214 -2.084 -0.593 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.453 -1.620 -2.249 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.912 -2.302 -3.007 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.574 -0.560 -3.137 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -4.636 -0.233 -0.216 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.764 0.886 -1.018 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.228 0.097 0.508 1.00 0.00 H new ATOM 421 N SER A 32 -9.011 -2.031 -3.279 1.00 0.00 N ATOM 422 CA SER A 32 -9.651 -3.154 -3.957 1.00 0.00 C ATOM 423 C SER A 32 -8.620 -4.053 -4.632 1.00 0.00 C ATOM 424 O SER A 32 -7.682 -3.573 -5.267 1.00 0.00 O ATOM 425 CB SER A 32 -10.654 -2.646 -4.992 1.00 0.00 C ATOM 426 OG SER A 32 -11.677 -3.599 -5.224 1.00 0.00 O ATOM 0 H SER A 32 -9.092 -1.141 -3.770 1.00 0.00 H new ATOM 0 HA SER A 32 -10.177 -3.742 -3.205 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.096 -1.711 -4.646 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.137 -2.428 -5.927 1.00 0.00 H new ATOM 0 HG SER A 32 -12.306 -3.248 -5.889 1.00 0.00 H new ATOM 432 N THR A 33 -8.804 -5.362 -4.488 1.00 0.00 N ATOM 433 CA THR A 33 -7.896 -6.337 -5.081 1.00 0.00 C ATOM 434 C THR A 33 -8.611 -7.664 -5.327 1.00 0.00 C ATOM 435 O THR A 33 -9.686 -7.906 -4.777 1.00 0.00 O ATOM 436 CB THR A 33 -6.687 -6.548 -4.170 1.00 0.00 C ATOM 437 OG1 THR A 33 -7.098 -6.722 -2.826 1.00 0.00 O ATOM 438 CG2 THR A 33 -5.709 -5.395 -4.206 1.00 0.00 C ATOM 0 H THR A 33 -9.577 -5.773 -3.964 1.00 0.00 H new ATOM 0 HA THR A 33 -7.554 -5.951 -6.041 1.00 0.00 H new ATOM 0 HB THR A 33 -6.188 -7.440 -4.548 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.067 -6.594 -2.761 1.00 0.00 H new ATOM 0 HG21 THR A 33 -4.873 -5.606 -3.538 1.00 0.00 H new ATOM 0 HG22 THR A 33 -5.338 -5.265 -5.222 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.210 -4.483 -3.883 1.00 0.00 H new ATOM 446 N PRO A 34 -8.026 -8.547 -6.160 1.00 0.00 N ATOM 447 CA PRO A 34 -8.618 -9.851 -6.475 1.00 0.00 C ATOM 448 C PRO A 34 -9.202 -10.539 -5.247 1.00 0.00 C ATOM 449 O PRO A 34 -10.180 -11.282 -5.345 1.00 0.00 O ATOM 450 CB PRO A 34 -7.432 -10.639 -7.023 1.00 0.00 C ATOM 451 CG PRO A 34 -6.569 -9.610 -7.669 1.00 0.00 C ATOM 452 CD PRO A 34 -6.744 -8.345 -6.867 1.00 0.00 C ATOM 0 HA PRO A 34 -9.455 -9.769 -7.169 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -6.900 -11.161 -6.227 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -7.754 -11.394 -7.740 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -5.526 -9.926 -7.674 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -6.860 -9.455 -8.708 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -5.921 -8.198 -6.168 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -6.777 -7.466 -7.510 1.00 0.00 H new ATOM 460 N ASN A 35 -8.603 -10.282 -4.092 1.00 0.00 N ATOM 461 CA ASN A 35 -9.070 -10.869 -2.844 1.00 0.00 C ATOM 462 C ASN A 35 -10.273 -10.100 -2.312 1.00 0.00 C ATOM 463 O ASN A 35 -11.323 -10.682 -2.040 1.00 0.00 O ATOM 464 CB ASN A 35 -7.948 -10.873 -1.804 1.00 0.00 C ATOM 465 CG ASN A 35 -7.157 -12.167 -1.812 1.00 0.00 C ATOM 466 OD1 ASN A 35 -7.000 -12.818 -0.779 1.00 0.00 O ATOM 467 ND2 ASN A 35 -6.654 -12.545 -2.981 1.00 0.00 N ATOM 0 H ASN A 35 -7.792 -9.671 -3.994 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.371 -11.898 -3.039 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.275 -10.038 -1.997 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -8.374 -10.717 -0.813 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -6.112 -13.407 -3.048 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -6.809 -11.974 -3.812 1.00 0.00 H new ATOM 474 N LYS A 36 -10.111 -8.786 -2.172 1.00 0.00 N ATOM 475 CA LYS A 36 -11.181 -7.919 -1.678 1.00 0.00 C ATOM 476 C LYS A 36 -10.642 -6.531 -1.347 1.00 0.00 C ATOM 477 O LYS A 36 -9.457 -6.253 -1.533 1.00 0.00 O ATOM 478 CB LYS A 36 -11.845 -8.524 -0.437 1.00 0.00 C ATOM 479 CG LYS A 36 -10.856 -9.040 0.596 1.00 0.00 C ATOM 480 CD LYS A 36 -11.568 -9.602 1.815 1.00 0.00 C ATOM 481 CE LYS A 36 -10.785 -10.746 2.439 1.00 0.00 C ATOM 482 NZ LYS A 36 -10.734 -11.937 1.546 1.00 0.00 N ATOM 0 H LYS A 36 -9.245 -8.295 -2.395 1.00 0.00 H new ATOM 0 HA LYS A 36 -11.927 -7.830 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -12.481 -7.771 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.494 -9.343 -0.746 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.232 -9.814 0.149 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -10.192 -8.231 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.709 -8.811 2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -12.560 -9.952 1.529 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.770 -10.414 2.659 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.243 -11.024 3.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.572 -12.792 2.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.636 -12.027 1.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -9.958 -11.825 0.862 1.00 0.00 H new ATOM 496 N ARG A 37 -11.520 -5.663 -0.854 1.00 0.00 N ATOM 497 CA ARG A 37 -11.134 -4.304 -0.493 1.00 0.00 C ATOM 498 C ARG A 37 -10.596 -4.257 0.934 1.00 0.00 C ATOM 499 O ARG A 37 -11.306 -4.579 1.886 1.00 0.00 O ATOM 500 CB ARG A 37 -12.328 -3.357 -0.637 1.00 0.00 C ATOM 501 CG ARG A 37 -12.237 -2.444 -1.849 1.00 0.00 C ATOM 502 CD ARG A 37 -12.819 -1.070 -1.558 1.00 0.00 C ATOM 503 NE ARG A 37 -13.272 -0.397 -2.773 1.00 0.00 N ATOM 504 CZ ARG A 37 -14.290 -0.819 -3.520 1.00 0.00 C ATOM 505 NH1 ARG A 37 -14.963 -1.912 -3.179 1.00 0.00 N ATOM 506 NH2 ARG A 37 -14.638 -0.147 -4.609 1.00 0.00 N ATOM 0 H ARG A 37 -12.505 -5.877 -0.695 1.00 0.00 H new ATOM 0 HA ARG A 37 -10.344 -3.981 -1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -13.243 -3.946 -0.704 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -12.408 -2.746 0.262 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -11.195 -2.342 -2.151 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -12.769 -2.895 -2.686 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -13.655 -1.170 -0.866 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -12.067 -0.456 -1.063 1.00 0.00 H new ATOM 0 HE ARG A 37 -12.779 0.446 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -14.701 -2.432 -2.342 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -15.742 -2.231 -3.754 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -14.126 0.694 -4.875 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -15.418 -0.471 -5.181 1.00 0.00 H new ATOM 520 N LEU A 38 -9.336 -3.858 1.074 1.00 0.00 N ATOM 521 CA LEU A 38 -8.702 -3.774 2.384 1.00 0.00 C ATOM 522 C LEU A 38 -8.609 -2.327 2.857 1.00 0.00 C ATOM 523 O LEU A 38 -8.237 -1.436 2.093 1.00 0.00 O ATOM 524 CB LEU A 38 -7.307 -4.399 2.337 1.00 0.00 C ATOM 525 CG LEU A 38 -7.282 -5.928 2.390 1.00 0.00 C ATOM 526 CD1 LEU A 38 -6.299 -6.487 1.371 1.00 0.00 C ATOM 527 CD2 LEU A 38 -6.930 -6.406 3.791 1.00 0.00 C ATOM 0 H LEU A 38 -8.734 -3.588 0.296 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.318 -4.327 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.810 -4.074 1.423 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.723 -4.012 3.172 1.00 0.00 H new ATOM 0 HG LEU A 38 -8.277 -6.296 2.139 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.297 -7.576 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.596 -6.175 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.299 -6.111 1.586 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -6.917 -7.496 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.947 -6.026 4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.674 -6.039 4.498 1.00 0.00 H new ATOM 539 N TYR A 39 -8.946 -2.102 4.123 1.00 0.00 N ATOM 540 CA TYR A 39 -8.900 -0.763 4.701 1.00 0.00 C ATOM 541 C TYR A 39 -7.628 -0.567 5.520 1.00 0.00 C ATOM 542 O TYR A 39 -7.454 -1.182 6.571 1.00 0.00 O ATOM 543 CB TYR A 39 -10.128 -0.522 5.582 1.00 0.00 C ATOM 544 CG TYR A 39 -11.439 -0.609 4.834 1.00 0.00 C ATOM 545 CD1 TYR A 39 -11.733 0.277 3.803 1.00 0.00 C ATOM 546 CD2 TYR A 39 -12.384 -1.575 5.158 1.00 0.00 C ATOM 547 CE1 TYR A 39 -12.932 0.201 3.118 1.00 0.00 C ATOM 548 CE2 TYR A 39 -13.584 -1.657 4.477 1.00 0.00 C ATOM 549 CZ TYR A 39 -13.853 -0.767 3.459 1.00 0.00 C ATOM 550 OH TYR A 39 -15.046 -0.846 2.779 1.00 0.00 O ATOM 0 H TYR A 39 -9.254 -2.829 4.768 1.00 0.00 H new ATOM 0 HA TYR A 39 -8.900 -0.042 3.883 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -10.132 -1.252 6.391 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -10.047 0.463 6.042 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -11.014 1.036 3.533 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -12.177 -2.273 5.955 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -13.146 0.896 2.320 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -14.307 -2.414 4.741 1.00 0.00 H new ATOM 0 HH TYR A 39 -15.581 -1.583 3.142 1.00 0.00 H new ATOM 560 N LYS A 40 -6.742 0.295 5.029 1.00 0.00 N ATOM 561 CA LYS A 40 -5.486 0.572 5.716 1.00 0.00 C ATOM 562 C LYS A 40 -5.283 2.073 5.895 1.00 0.00 C ATOM 563 O LYS A 40 -5.777 2.876 5.104 1.00 0.00 O ATOM 564 CB LYS A 40 -4.311 -0.022 4.937 1.00 0.00 C ATOM 565 CG LYS A 40 -3.962 -1.441 5.350 1.00 0.00 C ATOM 566 CD LYS A 40 -4.620 -2.463 4.437 1.00 0.00 C ATOM 567 CE LYS A 40 -3.737 -2.800 3.246 1.00 0.00 C ATOM 568 NZ LYS A 40 -4.438 -2.571 1.953 1.00 0.00 N ATOM 0 H LYS A 40 -6.871 0.812 4.160 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.531 0.109 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -4.548 -0.010 3.873 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.436 0.613 5.075 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -2.880 -1.573 5.326 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.281 -1.611 6.378 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -4.834 -3.371 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -5.575 -2.075 4.084 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.833 -2.193 3.281 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.424 -3.842 3.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.742 -2.328 1.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -4.946 -3.435 1.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.116 -1.790 2.059 1.00 0.00 H new ATOM 582 N ARG A 41 -4.550 2.444 6.940 1.00 0.00 N ATOM 583 CA ARG A 41 -4.278 3.848 7.222 1.00 0.00 C ATOM 584 C ARG A 41 -2.961 4.281 6.587 1.00 0.00 C ATOM 585 O ARG A 41 -2.139 3.446 6.209 1.00 0.00 O ATOM 586 CB ARG A 41 -4.236 4.091 8.732 1.00 0.00 C ATOM 587 CG ARG A 41 -3.119 3.340 9.439 1.00 0.00 C ATOM 588 CD ARG A 41 -3.593 2.736 10.751 1.00 0.00 C ATOM 589 NE ARG A 41 -2.507 2.083 11.477 1.00 0.00 N ATOM 590 CZ ARG A 41 -1.607 2.734 12.211 1.00 0.00 C ATOM 591 NH1 ARG A 41 -1.659 4.056 12.319 1.00 0.00 N ATOM 592 NH2 ARG A 41 -0.652 2.061 12.839 1.00 0.00 N ATOM 0 H ARG A 41 -4.134 1.792 7.605 1.00 0.00 H new ATOM 0 HA ARG A 41 -5.083 4.443 6.791 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.118 5.159 8.916 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.192 3.796 9.166 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -2.743 2.550 8.789 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -2.288 4.019 9.630 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -4.027 3.518 11.374 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.383 2.012 10.552 1.00 0.00 H new ATOM 0 HE ARG A 41 -2.434 1.067 11.418 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -2.391 4.579 11.838 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -0.967 4.549 12.883 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -0.607 1.045 12.759 1.00 0.00 H new ATOM 0 HH22 ARG A 41 0.038 2.559 13.401 1.00 0.00 H new ATOM 606 N TYR A 42 -2.767 5.589 6.467 1.00 0.00 N ATOM 607 CA TYR A 42 -1.549 6.131 5.872 1.00 0.00 C ATOM 608 C TYR A 42 -0.311 5.648 6.620 1.00 0.00 C ATOM 609 O TYR A 42 0.672 5.231 6.008 1.00 0.00 O ATOM 610 CB TYR A 42 -1.594 7.660 5.872 1.00 0.00 C ATOM 611 CG TYR A 42 -0.742 8.293 4.796 1.00 0.00 C ATOM 612 CD1 TYR A 42 -0.710 7.769 3.509 1.00 0.00 C ATOM 613 CD2 TYR A 42 0.030 9.415 5.065 1.00 0.00 C ATOM 614 CE1 TYR A 42 0.066 8.345 2.523 1.00 0.00 C ATOM 615 CE2 TYR A 42 0.810 9.999 4.083 1.00 0.00 C ATOM 616 CZ TYR A 42 0.824 9.460 2.815 1.00 0.00 C ATOM 617 OH TYR A 42 1.599 10.037 1.834 1.00 0.00 O ATOM 0 H TYR A 42 -3.437 6.295 6.773 1.00 0.00 H new ATOM 0 HA TYR A 42 -1.490 5.774 4.844 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -2.627 7.984 5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -1.265 8.024 6.845 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.302 6.896 3.276 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.022 9.839 6.058 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.080 7.925 1.528 1.00 0.00 H new ATOM 0 HE2 TYR A 42 1.404 10.872 4.309 1.00 0.00 H new ATOM 0 HH TYR A 42 2.383 9.474 1.663 1.00 0.00 H new ATOM 627 N SER A 43 -0.366 5.706 7.946 1.00 0.00 N ATOM 628 CA SER A 43 0.752 5.274 8.777 1.00 0.00 C ATOM 629 C SER A 43 1.103 3.810 8.513 1.00 0.00 C ATOM 630 O SER A 43 2.215 3.368 8.803 1.00 0.00 O ATOM 631 CB SER A 43 0.419 5.473 10.258 1.00 0.00 C ATOM 632 OG SER A 43 1.024 6.650 10.763 1.00 0.00 O ATOM 0 H SER A 43 -1.173 6.048 8.469 1.00 0.00 H new ATOM 0 HA SER A 43 1.618 5.884 8.519 1.00 0.00 H new ATOM 0 HB2 SER A 43 -0.662 5.532 10.386 1.00 0.00 H new ATOM 0 HB3 SER A 43 0.761 4.610 10.830 1.00 0.00 H new ATOM 0 HG SER A 43 0.795 6.755 11.710 1.00 0.00 H new ATOM 638 N GLU A 44 0.150 3.062 7.965 1.00 0.00 N ATOM 639 CA GLU A 44 0.367 1.650 7.669 1.00 0.00 C ATOM 640 C GLU A 44 1.209 1.478 6.409 1.00 0.00 C ATOM 641 O GLU A 44 2.173 0.713 6.397 1.00 0.00 O ATOM 642 CB GLU A 44 -0.970 0.927 7.506 1.00 0.00 C ATOM 643 CG GLU A 44 -0.828 -0.566 7.254 1.00 0.00 C ATOM 644 CD GLU A 44 -1.309 -1.403 8.423 1.00 0.00 C ATOM 645 OE1 GLU A 44 -0.584 -1.477 9.439 1.00 0.00 O ATOM 646 OE2 GLU A 44 -2.409 -1.985 8.324 1.00 0.00 O ATOM 0 H GLU A 44 -0.777 3.409 7.718 1.00 0.00 H new ATOM 0 HA GLU A 44 0.908 1.211 8.507 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -1.568 1.080 8.404 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -1.518 1.376 6.678 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.393 -0.836 6.362 1.00 0.00 H new ATOM 0 HG3 GLU A 44 0.217 -0.799 7.051 1.00 0.00 H new ATOM 653 N PHE A 45 0.838 2.191 5.351 1.00 0.00 N ATOM 654 CA PHE A 45 1.563 2.113 4.087 1.00 0.00 C ATOM 655 C PHE A 45 3.030 2.483 4.280 1.00 0.00 C ATOM 656 O PHE A 45 3.925 1.736 3.885 1.00 0.00 O ATOM 657 CB PHE A 45 0.919 3.029 3.044 1.00 0.00 C ATOM 658 CG PHE A 45 0.503 2.311 1.793 1.00 0.00 C ATOM 659 CD1 PHE A 45 1.427 2.040 0.795 1.00 0.00 C ATOM 660 CD2 PHE A 45 -0.809 1.904 1.615 1.00 0.00 C ATOM 661 CE1 PHE A 45 1.048 1.376 -0.356 1.00 0.00 C ATOM 662 CE2 PHE A 45 -1.193 1.241 0.466 1.00 0.00 C ATOM 663 CZ PHE A 45 -0.264 0.977 -0.521 1.00 0.00 C ATOM 0 H PHE A 45 0.042 2.828 5.343 1.00 0.00 H new ATOM 0 HA PHE A 45 1.512 1.085 3.729 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.046 3.511 3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.622 3.820 2.783 1.00 0.00 H new ATOM 0 HD1 PHE A 45 2.454 2.351 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.540 2.107 2.384 1.00 0.00 H new ATOM 0 HE1 PHE A 45 1.777 1.169 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.219 0.929 0.339 1.00 0.00 H new ATOM 0 HZ PHE A 45 -0.563 0.459 -1.421 1.00 0.00 H new ATOM 673 N TRP A 46 3.271 3.636 4.895 1.00 0.00 N ATOM 674 CA TRP A 46 4.633 4.096 5.145 1.00 0.00 C ATOM 675 C TRP A 46 5.398 3.067 5.971 1.00 0.00 C ATOM 676 O TRP A 46 6.602 2.881 5.795 1.00 0.00 O ATOM 677 CB TRP A 46 4.618 5.446 5.867 1.00 0.00 C ATOM 678 CG TRP A 46 5.975 5.895 6.323 1.00 0.00 C ATOM 679 CD1 TRP A 46 6.529 5.700 7.556 1.00 0.00 C ATOM 680 CD2 TRP A 46 6.947 6.611 5.553 1.00 0.00 C ATOM 681 NE1 TRP A 46 7.788 6.251 7.599 1.00 0.00 N ATOM 682 CE2 TRP A 46 8.067 6.816 6.382 1.00 0.00 C ATOM 683 CE3 TRP A 46 6.982 7.098 4.243 1.00 0.00 C ATOM 684 CZ2 TRP A 46 9.206 7.487 5.943 1.00 0.00 C ATOM 685 CZ3 TRP A 46 8.112 7.763 3.810 1.00 0.00 C ATOM 686 CH2 TRP A 46 9.211 7.952 4.657 1.00 0.00 C ATOM 0 H TRP A 46 2.543 4.268 5.229 1.00 0.00 H new ATOM 0 HA TRP A 46 5.136 4.219 4.186 1.00 0.00 H new ATOM 0 HB2 TRP A 46 4.199 6.201 5.201 1.00 0.00 H new ATOM 0 HB3 TRP A 46 3.956 5.380 6.731 1.00 0.00 H new ATOM 0 HD1 TRP A 46 6.049 5.188 8.377 1.00 0.00 H new ATOM 0 HE1 TRP A 46 8.413 6.241 8.405 1.00 0.00 H new ATOM 0 HE3 TRP A 46 6.140 6.957 3.581 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 10.054 7.635 6.595 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 8.149 8.144 2.800 1.00 0.00 H new ATOM 0 HH2 TRP A 46 10.080 8.476 4.287 1.00 0.00 H new ATOM 697 N LYS A 47 4.686 2.398 6.873 1.00 0.00 N ATOM 698 CA LYS A 47 5.293 1.384 7.725 1.00 0.00 C ATOM 699 C LYS A 47 5.870 0.248 6.887 1.00 0.00 C ATOM 700 O LYS A 47 7.002 -0.183 7.104 1.00 0.00 O ATOM 701 CB LYS A 47 4.262 0.837 8.716 1.00 0.00 C ATOM 702 CG LYS A 47 4.688 0.964 10.169 1.00 0.00 C ATOM 703 CD LYS A 47 3.582 0.521 11.114 1.00 0.00 C ATOM 704 CE LYS A 47 3.770 -0.922 11.552 1.00 0.00 C ATOM 705 NZ LYS A 47 4.864 -1.061 12.552 1.00 0.00 N ATOM 0 H LYS A 47 3.689 2.541 7.032 1.00 0.00 H new ATOM 0 HA LYS A 47 6.107 1.848 8.282 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.319 1.365 8.575 1.00 0.00 H new ATOM 0 HB3 LYS A 47 4.076 -0.213 8.491 1.00 0.00 H new ATOM 0 HG2 LYS A 47 5.579 0.361 10.342 1.00 0.00 H new ATOM 0 HG3 LYS A 47 4.957 1.999 10.381 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.569 1.170 11.990 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.616 0.630 10.622 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.839 -1.296 11.978 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.993 -1.539 10.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.304 -1.998 12.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.580 -0.324 12.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.474 -0.958 13.510 1.00 0.00 H new ATOM 719 N LEU A 48 5.084 -0.231 5.927 1.00 0.00 N ATOM 720 CA LEU A 48 5.515 -1.318 5.055 1.00 0.00 C ATOM 721 C LEU A 48 6.671 -0.873 4.163 1.00 0.00 C ATOM 722 O LEU A 48 7.564 -1.660 3.850 1.00 0.00 O ATOM 723 CB LEU A 48 4.346 -1.802 4.194 1.00 0.00 C ATOM 724 CG LEU A 48 4.703 -2.858 3.146 1.00 0.00 C ATOM 725 CD1 LEU A 48 5.009 -4.190 3.813 1.00 0.00 C ATOM 726 CD2 LEU A 48 3.574 -3.011 2.138 1.00 0.00 C ATOM 0 H LEU A 48 4.145 0.117 5.734 1.00 0.00 H new ATOM 0 HA LEU A 48 5.860 -2.140 5.682 1.00 0.00 H new ATOM 0 HB2 LEU A 48 3.577 -2.210 4.850 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.909 -0.942 3.686 1.00 0.00 H new ATOM 0 HG LEU A 48 5.596 -2.528 2.615 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.261 -4.929 3.052 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.851 -4.070 4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 48 4.135 -4.527 4.371 1.00 0.00 H new ATOM 0 HD21 LEU A 48 3.845 -3.766 1.400 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.664 -3.318 2.654 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.402 -2.059 1.636 1.00 0.00 H new ATOM 738 N LYS A 49 6.645 0.392 3.755 1.00 0.00 N ATOM 739 CA LYS A 49 7.688 0.942 2.897 1.00 0.00 C ATOM 740 C LYS A 49 9.070 0.750 3.518 1.00 0.00 C ATOM 741 O LYS A 49 9.890 -0.014 3.007 1.00 0.00 O ATOM 742 CB LYS A 49 7.432 2.430 2.641 1.00 0.00 C ATOM 743 CG LYS A 49 7.547 2.825 1.178 1.00 0.00 C ATOM 744 CD LYS A 49 8.842 3.572 0.901 1.00 0.00 C ATOM 745 CE LYS A 49 8.785 4.998 1.424 1.00 0.00 C ATOM 746 NZ LYS A 49 9.663 5.912 0.643 1.00 0.00 N ATOM 0 H LYS A 49 5.912 1.056 4.005 1.00 0.00 H new ATOM 0 HA LYS A 49 7.662 0.405 1.949 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.435 2.685 3.000 1.00 0.00 H new ATOM 0 HB3 LYS A 49 8.141 3.018 3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.501 1.932 0.555 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.699 3.451 0.902 1.00 0.00 H new ATOM 0 HD2 LYS A 49 9.674 3.045 1.368 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.034 3.584 -0.172 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.757 5.359 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 49 9.086 5.013 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 9.595 6.874 1.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 10.648 5.583 0.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 9.360 5.918 -0.352 1.00 0.00 H new ATOM 760 N THR A 50 9.321 1.449 4.620 1.00 0.00 N ATOM 761 CA THR A 50 10.604 1.357 5.309 1.00 0.00 C ATOM 762 C THR A 50 10.902 -0.082 5.722 1.00 0.00 C ATOM 763 O THR A 50 12.062 -0.486 5.798 1.00 0.00 O ATOM 764 CB THR A 50 10.619 2.269 6.537 1.00 0.00 C ATOM 765 OG1 THR A 50 11.693 1.935 7.398 1.00 0.00 O ATOM 766 CG2 THR A 50 9.342 2.205 7.349 1.00 0.00 C ATOM 0 H THR A 50 8.653 2.085 5.055 1.00 0.00 H new ATOM 0 HA THR A 50 11.380 1.683 4.617 1.00 0.00 H new ATOM 0 HB THR A 50 10.728 3.279 6.143 1.00 0.00 H new ATOM 0 HG1 THR A 50 11.686 2.531 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 50 9.421 2.876 8.205 1.00 0.00 H new ATOM 0 HG22 THR A 50 8.500 2.508 6.727 1.00 0.00 H new ATOM 0 HG23 THR A 50 9.185 1.185 7.701 1.00 0.00 H new ATOM 774 N ARG A 51 9.850 -0.852 5.985 1.00 0.00 N ATOM 775 CA ARG A 51 10.008 -2.245 6.387 1.00 0.00 C ATOM 776 C ARG A 51 10.756 -3.032 5.316 1.00 0.00 C ATOM 777 O ARG A 51 11.858 -3.528 5.552 1.00 0.00 O ATOM 778 CB ARG A 51 8.641 -2.881 6.645 1.00 0.00 C ATOM 779 CG ARG A 51 8.695 -4.074 7.583 1.00 0.00 C ATOM 780 CD ARG A 51 8.854 -3.637 9.031 1.00 0.00 C ATOM 781 NE ARG A 51 10.257 -3.556 9.429 1.00 0.00 N ATOM 782 CZ ARG A 51 10.664 -3.396 10.686 1.00 0.00 C ATOM 783 NH1 ARG A 51 9.778 -3.300 11.670 1.00 0.00 N ATOM 784 NH2 ARG A 51 11.959 -3.332 10.960 1.00 0.00 N ATOM 0 H ARG A 51 8.882 -0.536 5.927 1.00 0.00 H new ATOM 0 HA ARG A 51 10.590 -2.272 7.308 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.973 -2.129 7.065 1.00 0.00 H new ATOM 0 HB3 ARG A 51 8.210 -3.196 5.694 1.00 0.00 H new ATOM 0 HG2 ARG A 51 7.784 -4.663 7.477 1.00 0.00 H new ATOM 0 HG3 ARG A 51 9.527 -4.721 7.303 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.381 -2.665 9.170 1.00 0.00 H new ATOM 0 HD3 ARG A 51 8.333 -4.340 9.681 1.00 0.00 H new ATOM 0 HE ARG A 51 10.967 -3.626 8.700 1.00 0.00 H new ATOM 0 HH11 ARG A 51 8.780 -3.349 11.464 1.00 0.00 H new ATOM 0 HH12 ARG A 51 10.095 -3.177 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.644 -3.405 10.208 1.00 0.00 H new ATOM 0 HH22 ARG A 51 12.271 -3.209 11.923 1.00 0.00 H new ATOM 798 N LEU A 52 10.151 -3.136 4.135 1.00 0.00 N ATOM 799 CA LEU A 52 10.758 -3.855 3.017 1.00 0.00 C ATOM 800 C LEU A 52 12.219 -3.453 2.840 1.00 0.00 C ATOM 801 O LEU A 52 13.059 -4.270 2.461 1.00 0.00 O ATOM 802 CB LEU A 52 9.991 -3.573 1.721 1.00 0.00 C ATOM 803 CG LEU A 52 8.483 -3.823 1.783 1.00 0.00 C ATOM 804 CD1 LEU A 52 7.761 -2.988 0.738 1.00 0.00 C ATOM 805 CD2 LEU A 52 8.183 -5.299 1.588 1.00 0.00 C ATOM 0 H LEU A 52 9.239 -2.730 3.927 1.00 0.00 H new ATOM 0 HA LEU A 52 10.711 -4.921 3.240 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.158 -2.534 1.439 1.00 0.00 H new ATOM 0 HB3 LEU A 52 10.412 -4.191 0.928 1.00 0.00 H new ATOM 0 HG LEU A 52 8.123 -3.525 2.768 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.689 -3.179 0.797 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.952 -1.931 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.123 -3.255 -0.255 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.106 -5.461 1.635 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.556 -5.621 0.616 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.671 -5.876 2.373 1.00 0.00 H new ATOM 817 N GLU A 53 12.511 -2.188 3.116 1.00 0.00 N ATOM 818 CA GLU A 53 13.869 -1.670 2.987 1.00 0.00 C ATOM 819 C GLU A 53 14.805 -2.331 3.995 1.00 0.00 C ATOM 820 O GLU A 53 15.955 -2.637 3.681 1.00 0.00 O ATOM 821 CB GLU A 53 13.879 -0.153 3.184 1.00 0.00 C ATOM 822 CG GLU A 53 13.727 0.630 1.889 1.00 0.00 C ATOM 823 CD GLU A 53 13.043 1.967 2.093 1.00 0.00 C ATOM 824 OE1 GLU A 53 11.834 1.974 2.411 1.00 0.00 O ATOM 825 OE2 GLU A 53 13.714 3.008 1.936 1.00 0.00 O ATOM 0 H GLU A 53 11.826 -1.501 3.431 1.00 0.00 H new ATOM 0 HA GLU A 53 14.224 -1.903 1.983 1.00 0.00 H new ATOM 0 HB2 GLU A 53 13.071 0.122 3.862 1.00 0.00 H new ATOM 0 HB3 GLU A 53 14.813 0.136 3.666 1.00 0.00 H new ATOM 0 HG2 GLU A 53 14.711 0.793 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 53 13.154 0.038 1.176 1.00 0.00 H new ATOM 832 N ARG A 54 14.305 -2.547 5.207 1.00 0.00 N ATOM 833 CA ARG A 54 15.097 -3.171 6.262 1.00 0.00 C ATOM 834 C ARG A 54 14.933 -4.689 6.252 1.00 0.00 C ATOM 835 O ARG A 54 15.771 -5.415 6.787 1.00 0.00 O ATOM 836 CB ARG A 54 14.692 -2.613 7.627 1.00 0.00 C ATOM 837 CG ARG A 54 14.620 -1.096 7.666 1.00 0.00 C ATOM 838 CD ARG A 54 13.973 -0.600 8.949 1.00 0.00 C ATOM 839 NE ARG A 54 14.762 -0.946 10.130 1.00 0.00 N ATOM 840 CZ ARG A 54 15.926 -0.377 10.436 1.00 0.00 C ATOM 841 NH1 ARG A 54 16.441 0.562 9.653 1.00 0.00 N ATOM 842 NH2 ARG A 54 16.577 -0.750 11.530 1.00 0.00 N ATOM 0 H ARG A 54 13.355 -2.299 5.484 1.00 0.00 H new ATOM 0 HA ARG A 54 16.146 -2.940 6.075 1.00 0.00 H new ATOM 0 HB2 ARG A 54 13.720 -3.022 7.904 1.00 0.00 H new ATOM 0 HB3 ARG A 54 15.406 -2.954 8.376 1.00 0.00 H new ATOM 0 HG2 ARG A 54 15.624 -0.681 7.580 1.00 0.00 H new ATOM 0 HG3 ARG A 54 14.052 -0.736 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 54 13.851 0.482 8.899 1.00 0.00 H new ATOM 0 HD3 ARG A 54 12.975 -1.029 9.041 1.00 0.00 H new ATOM 0 HE ARG A 54 14.400 -1.665 10.756 1.00 0.00 H new ATOM 0 HH11 ARG A 54 15.945 0.852 8.810 1.00 0.00 H new ATOM 0 HH12 ARG A 54 17.333 0.994 9.894 1.00 0.00 H new ATOM 0 HH21 ARG A 54 16.186 -1.472 12.135 1.00 0.00 H new ATOM 0 HH22 ARG A 54 17.469 -0.315 11.766 1.00 0.00 H new ATOM 856 N ASP A 55 13.854 -5.165 5.639 1.00 0.00 N ATOM 857 CA ASP A 55 13.587 -6.597 5.562 1.00 0.00 C ATOM 858 C ASP A 55 14.244 -7.203 4.327 1.00 0.00 C ATOM 859 O ASP A 55 14.758 -8.320 4.369 1.00 0.00 O ATOM 860 CB ASP A 55 12.080 -6.856 5.532 1.00 0.00 C ATOM 861 CG ASP A 55 11.504 -7.074 6.917 1.00 0.00 C ATOM 862 OD1 ASP A 55 11.310 -6.076 7.643 1.00 0.00 O ATOM 863 OD2 ASP A 55 11.245 -8.243 7.276 1.00 0.00 O ATOM 0 H ASP A 55 13.150 -4.580 5.188 1.00 0.00 H new ATOM 0 HA ASP A 55 14.010 -7.070 6.448 1.00 0.00 H new ATOM 0 HB2 ASP A 55 11.578 -6.011 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 55 11.877 -7.731 4.915 1.00 0.00 H new ATOM 868 N VAL A 56 14.225 -6.454 3.230 1.00 0.00 N ATOM 869 CA VAL A 56 14.821 -6.911 1.982 1.00 0.00 C ATOM 870 C VAL A 56 16.271 -6.460 1.877 1.00 0.00 C ATOM 871 O VAL A 56 17.105 -7.143 1.282 1.00 0.00 O ATOM 872 CB VAL A 56 14.042 -6.381 0.764 1.00 0.00 C ATOM 873 CG1 VAL A 56 14.567 -7.004 -0.519 1.00 0.00 C ATOM 874 CG2 VAL A 56 12.553 -6.646 0.926 1.00 0.00 C ATOM 0 H VAL A 56 13.803 -5.527 3.181 1.00 0.00 H new ATOM 0 HA VAL A 56 14.778 -8.000 1.986 1.00 0.00 H new ATOM 0 HB VAL A 56 14.190 -5.303 0.702 1.00 0.00 H new ATOM 0 HG11 VAL A 56 14.004 -6.617 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 56 15.621 -6.756 -0.639 1.00 0.00 H new ATOM 0 HG13 VAL A 56 14.453 -8.087 -0.471 1.00 0.00 H new ATOM 0 HG21 VAL A 56 12.019 -6.265 0.056 1.00 0.00 H new ATOM 0 HG22 VAL A 56 12.382 -7.719 1.015 1.00 0.00 H new ATOM 0 HG23 VAL A 56 12.190 -6.145 1.823 1.00 0.00 H new ATOM 884 N GLY A 57 16.565 -5.303 2.459 1.00 0.00 N ATOM 885 CA GLY A 57 17.917 -4.775 2.422 1.00 0.00 C ATOM 886 C GLY A 57 18.182 -3.927 1.190 1.00 0.00 C ATOM 887 O GLY A 57 19.251 -3.331 1.061 1.00 0.00 O ATOM 0 H GLY A 57 15.891 -4.721 2.956 1.00 0.00 H new ATOM 0 HA2 GLY A 57 18.093 -4.176 3.315 1.00 0.00 H new ATOM 0 HA3 GLY A 57 18.626 -5.602 2.448 1.00 0.00 H new ATOM 891 N SER A 58 17.211 -3.873 0.281 1.00 0.00 N ATOM 892 CA SER A 58 17.354 -3.093 -0.942 1.00 0.00 C ATOM 893 C SER A 58 16.561 -1.793 -0.855 1.00 0.00 C ATOM 894 O SER A 58 15.615 -1.682 -0.074 1.00 0.00 O ATOM 895 CB SER A 58 16.888 -3.908 -2.150 1.00 0.00 C ATOM 896 OG SER A 58 17.979 -4.563 -2.775 1.00 0.00 O ATOM 0 H SER A 58 16.319 -4.360 0.370 1.00 0.00 H new ATOM 0 HA SER A 58 18.409 -2.847 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 58 16.151 -4.645 -1.833 1.00 0.00 H new ATOM 0 HB3 SER A 58 16.395 -3.252 -2.867 1.00 0.00 H new ATOM 0 HG SER A 58 17.655 -5.078 -3.543 1.00 0.00 H new ATOM 902 N THR A 59 16.951 -0.812 -1.663 1.00 0.00 N ATOM 903 CA THR A 59 16.276 0.480 -1.679 1.00 0.00 C ATOM 904 C THR A 59 15.014 0.420 -2.534 1.00 0.00 C ATOM 905 O THR A 59 15.060 0.028 -3.700 1.00 0.00 O ATOM 906 CB THR A 59 17.216 1.567 -2.208 1.00 0.00 C ATOM 907 OG1 THR A 59 18.336 0.992 -2.861 1.00 0.00 O ATOM 908 CG2 THR A 59 17.741 2.483 -1.122 1.00 0.00 C ATOM 0 H THR A 59 17.731 -0.888 -2.315 1.00 0.00 H new ATOM 0 HA THR A 59 15.991 0.727 -0.656 1.00 0.00 H new ATOM 0 HB THR A 59 16.614 2.155 -2.901 1.00 0.00 H new ATOM 0 HG1 THR A 59 18.035 0.497 -3.651 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.401 3.230 -1.564 1.00 0.00 H new ATOM 0 HG22 THR A 59 16.905 2.982 -0.631 1.00 0.00 H new ATOM 0 HG23 THR A 59 18.295 1.897 -0.389 1.00 0.00 H new ATOM 916 N ILE A 60 13.887 0.812 -1.947 1.00 0.00 N ATOM 917 CA ILE A 60 12.614 0.801 -2.656 1.00 0.00 C ATOM 918 C ILE A 60 12.536 1.950 -3.661 1.00 0.00 C ATOM 919 O ILE A 60 12.808 3.101 -3.319 1.00 0.00 O ATOM 920 CB ILE A 60 11.426 0.895 -1.677 1.00 0.00 C ATOM 921 CG1 ILE A 60 10.110 0.662 -2.417 1.00 0.00 C ATOM 922 CG2 ILE A 60 11.413 2.247 -0.974 1.00 0.00 C ATOM 923 CD1 ILE A 60 9.659 -0.783 -2.406 1.00 0.00 C ATOM 0 H ILE A 60 13.831 1.141 -0.983 1.00 0.00 H new ATOM 0 HA ILE A 60 12.554 -0.146 -3.192 1.00 0.00 H new ATOM 0 HB ILE A 60 11.541 0.119 -0.920 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.334 1.280 -1.965 1.00 0.00 H new ATOM 0 HG13 ILE A 60 10.220 0.992 -3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 60 10.567 2.292 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 60 12.340 2.376 -0.416 1.00 0.00 H new ATOM 0 HG23 ILE A 60 11.322 3.041 -1.715 1.00 0.00 H new ATOM 0 HD11 ILE A 60 8.719 -0.875 -2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 60 10.416 -1.404 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 60 9.517 -1.112 -1.377 1.00 0.00 H new ATOM 935 N PRO A 61 12.170 1.655 -4.923 1.00 0.00 N ATOM 936 CA PRO A 61 12.068 2.665 -5.973 1.00 0.00 C ATOM 937 C PRO A 61 10.694 3.331 -6.031 1.00 0.00 C ATOM 938 O PRO A 61 10.227 3.711 -7.104 1.00 0.00 O ATOM 939 CB PRO A 61 12.314 1.845 -7.233 1.00 0.00 C ATOM 940 CG PRO A 61 11.731 0.505 -6.929 1.00 0.00 C ATOM 941 CD PRO A 61 11.837 0.311 -5.433 1.00 0.00 C ATOM 0 HA PRO A 61 12.763 3.491 -5.821 1.00 0.00 H new ATOM 0 HB2 PRO A 61 11.835 2.298 -8.101 1.00 0.00 H new ATOM 0 HB3 PRO A 61 13.378 1.773 -7.458 1.00 0.00 H new ATOM 0 HG2 PRO A 61 10.691 0.453 -7.253 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.269 -0.280 -7.460 1.00 0.00 H new ATOM 0 HD2 PRO A 61 10.902 -0.056 -5.011 1.00 0.00 H new ATOM 0 HD3 PRO A 61 12.609 -0.415 -5.178 1.00 0.00 H new ATOM 949 N TYR A 62 10.050 3.472 -4.876 1.00 0.00 N ATOM 950 CA TYR A 62 8.733 4.095 -4.812 1.00 0.00 C ATOM 951 C TYR A 62 8.805 5.455 -4.127 1.00 0.00 C ATOM 952 O TYR A 62 9.670 5.693 -3.285 1.00 0.00 O ATOM 953 CB TYR A 62 7.752 3.189 -4.066 1.00 0.00 C ATOM 954 CG TYR A 62 7.462 1.892 -4.787 1.00 0.00 C ATOM 955 CD1 TYR A 62 7.150 1.884 -6.139 1.00 0.00 C ATOM 956 CD2 TYR A 62 7.501 0.678 -4.114 1.00 0.00 C ATOM 957 CE1 TYR A 62 6.886 0.701 -6.803 1.00 0.00 C ATOM 958 CE2 TYR A 62 7.240 -0.510 -4.771 1.00 0.00 C ATOM 959 CZ TYR A 62 6.932 -0.493 -6.114 1.00 0.00 C ATOM 960 OH TYR A 62 6.670 -1.673 -6.770 1.00 0.00 O ATOM 0 H TYR A 62 10.417 3.165 -3.975 1.00 0.00 H new ATOM 0 HA TYR A 62 8.380 4.241 -5.833 1.00 0.00 H new ATOM 0 HB2 TYR A 62 8.156 2.964 -3.079 1.00 0.00 H new ATOM 0 HB3 TYR A 62 6.817 3.727 -3.913 1.00 0.00 H new ATOM 0 HD1 TYR A 62 7.113 2.817 -6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 62 7.739 0.662 -3.061 1.00 0.00 H new ATOM 0 HE1 TYR A 62 6.645 0.711 -7.856 1.00 0.00 H new ATOM 0 HE2 TYR A 62 7.277 -1.447 -4.234 1.00 0.00 H new ATOM 0 HH TYR A 62 7.175 -2.400 -6.350 1.00 0.00 H new ATOM 970 N ASP A 63 7.890 6.344 -4.497 1.00 0.00 N ATOM 971 CA ASP A 63 7.849 7.683 -3.919 1.00 0.00 C ATOM 972 C ASP A 63 6.726 7.798 -2.893 1.00 0.00 C ATOM 973 O ASP A 63 5.554 7.608 -3.215 1.00 0.00 O ATOM 974 CB ASP A 63 7.658 8.729 -5.019 1.00 0.00 C ATOM 975 CG ASP A 63 8.927 8.971 -5.814 1.00 0.00 C ATOM 976 OD1 ASP A 63 9.213 8.174 -6.731 1.00 0.00 O ATOM 977 OD2 ASP A 63 9.634 9.957 -5.517 1.00 0.00 O ATOM 0 H ASP A 63 7.167 6.162 -5.194 1.00 0.00 H new ATOM 0 HA ASP A 63 8.798 7.864 -3.415 1.00 0.00 H new ATOM 0 HB2 ASP A 63 6.867 8.402 -5.694 1.00 0.00 H new ATOM 0 HB3 ASP A 63 7.328 9.667 -4.572 1.00 0.00 H new ATOM 982 N PHE A 64 7.094 8.110 -1.654 1.00 0.00 N ATOM 983 CA PHE A 64 6.118 8.250 -0.580 1.00 0.00 C ATOM 984 C PHE A 64 6.400 9.498 0.255 1.00 0.00 C ATOM 985 O PHE A 64 7.228 9.470 1.166 1.00 0.00 O ATOM 986 CB PHE A 64 6.138 7.011 0.317 1.00 0.00 C ATOM 987 CG PHE A 64 4.828 6.742 1.001 1.00 0.00 C ATOM 988 CD1 PHE A 64 4.355 7.601 1.980 1.00 0.00 C ATOM 989 CD2 PHE A 64 4.071 5.632 0.667 1.00 0.00 C ATOM 990 CE1 PHE A 64 3.151 7.357 2.614 1.00 0.00 C ATOM 991 CE2 PHE A 64 2.866 5.381 1.297 1.00 0.00 C ATOM 992 CZ PHE A 64 2.406 6.245 2.271 1.00 0.00 C ATOM 0 H PHE A 64 8.060 8.270 -1.370 1.00 0.00 H new ATOM 0 HA PHE A 64 5.131 8.351 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 64 6.410 6.143 -0.283 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.914 7.132 1.072 1.00 0.00 H new ATOM 0 HD1 PHE A 64 4.934 8.472 2.251 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.426 4.954 -0.095 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.793 8.034 3.376 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.286 4.511 1.028 1.00 0.00 H new ATOM 0 HZ PHE A 64 1.465 6.052 2.764 1.00 0.00 H new ATOM 1002 N PRO A 65 5.715 10.616 -0.045 1.00 0.00 N ATOM 1003 CA PRO A 65 5.900 11.873 0.683 1.00 0.00 C ATOM 1004 C PRO A 65 5.231 11.855 2.053 1.00 0.00 C ATOM 1005 O PRO A 65 4.005 11.893 2.158 1.00 0.00 O ATOM 1006 CB PRO A 65 5.229 12.903 -0.225 1.00 0.00 C ATOM 1007 CG PRO A 65 4.169 12.137 -0.939 1.00 0.00 C ATOM 1008 CD PRO A 65 4.708 10.742 -1.118 1.00 0.00 C ATOM 0 HA PRO A 65 6.951 12.078 0.885 1.00 0.00 H new ATOM 0 HB2 PRO A 65 4.804 13.724 0.352 1.00 0.00 H new ATOM 0 HB3 PRO A 65 5.942 13.340 -0.924 1.00 0.00 H new ATOM 0 HG2 PRO A 65 3.243 12.126 -0.365 1.00 0.00 H new ATOM 0 HG3 PRO A 65 3.941 12.593 -1.902 1.00 0.00 H new ATOM 0 HD2 PRO A 65 3.922 9.993 -1.020 1.00 0.00 H new ATOM 0 HD3 PRO A 65 5.154 10.608 -2.104 1.00 0.00 H new ATOM 1258 N TYR A 79 -6.782 16.218 8.117 1.00 0.00 N ATOM 1259 CA TYR A 79 -6.657 14.806 7.773 1.00 0.00 C ATOM 1260 C TYR A 79 -7.895 14.306 7.032 1.00 0.00 C ATOM 1261 O TYR A 79 -7.827 13.336 6.278 1.00 0.00 O ATOM 1262 CB TYR A 79 -6.424 13.968 9.035 1.00 0.00 C ATOM 1263 CG TYR A 79 -7.630 13.883 9.947 1.00 0.00 C ATOM 1264 CD1 TYR A 79 -7.929 14.910 10.834 1.00 0.00 C ATOM 1265 CD2 TYR A 79 -8.466 12.774 9.920 1.00 0.00 C ATOM 1266 CE1 TYR A 79 -9.028 14.833 11.668 1.00 0.00 C ATOM 1267 CE2 TYR A 79 -9.566 12.690 10.750 1.00 0.00 C ATOM 1268 CZ TYR A 79 -9.844 13.722 11.623 1.00 0.00 C ATOM 1269 OH TYR A 79 -10.939 13.642 12.451 1.00 0.00 O ATOM 0 HA TYR A 79 -5.798 14.698 7.111 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -6.131 12.960 8.741 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -5.589 14.393 9.592 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -7.293 15.782 10.872 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -8.252 11.964 9.238 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -9.247 15.639 12.352 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -10.206 11.821 10.716 1.00 0.00 H new ATOM 0 HH TYR A 79 -10.731 13.063 13.214 1.00 0.00 H new ATOM 1279 N ASP A 80 -9.024 14.974 7.251 1.00 0.00 N ATOM 1280 CA ASP A 80 -10.273 14.592 6.601 1.00 0.00 C ATOM 1281 C ASP A 80 -10.607 15.544 5.456 1.00 0.00 C ATOM 1282 O ASP A 80 -11.777 15.781 5.154 1.00 0.00 O ATOM 1283 CB ASP A 80 -11.416 14.575 7.617 1.00 0.00 C ATOM 1284 CG ASP A 80 -11.634 15.929 8.265 1.00 0.00 C ATOM 1285 OD1 ASP A 80 -11.860 16.910 7.527 1.00 0.00 O ATOM 1286 OD2 ASP A 80 -11.579 16.006 9.510 1.00 0.00 O ATOM 0 H ASP A 80 -9.099 15.780 7.872 1.00 0.00 H new ATOM 0 HA ASP A 80 -10.147 13.591 6.189 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -12.334 14.260 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -11.201 13.836 8.389 1.00 0.00 H new ATOM 1291 N ASP A 81 -9.573 16.085 4.820 1.00 0.00 N ATOM 1292 CA ASP A 81 -9.757 17.009 3.707 1.00 0.00 C ATOM 1293 C ASP A 81 -9.690 16.267 2.370 1.00 0.00 C ATOM 1294 O ASP A 81 -8.760 15.500 2.126 1.00 0.00 O ATOM 1295 CB ASP A 81 -8.693 18.109 3.749 1.00 0.00 C ATOM 1296 CG ASP A 81 -9.292 19.488 3.947 1.00 0.00 C ATOM 1297 OD1 ASP A 81 -10.320 19.787 3.305 1.00 0.00 O ATOM 1298 OD2 ASP A 81 -8.732 20.269 4.744 1.00 0.00 O ATOM 0 H ASP A 81 -8.598 15.899 5.057 1.00 0.00 H new ATOM 0 HA ASP A 81 -10.743 17.465 3.801 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.992 17.901 4.557 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.122 18.094 2.820 1.00 0.00 H new ATOM 1303 N PRO A 82 -10.677 16.489 1.481 1.00 0.00 N ATOM 1304 CA PRO A 82 -10.715 15.835 0.168 1.00 0.00 C ATOM 1305 C PRO A 82 -9.535 16.235 -0.711 1.00 0.00 C ATOM 1306 O PRO A 82 -9.060 15.445 -1.527 1.00 0.00 O ATOM 1307 CB PRO A 82 -12.030 16.324 -0.446 1.00 0.00 C ATOM 1308 CG PRO A 82 -12.355 17.580 0.288 1.00 0.00 C ATOM 1309 CD PRO A 82 -11.826 17.390 1.680 1.00 0.00 C ATOM 0 HA PRO A 82 -10.653 14.750 0.255 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -11.922 16.508 -1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -12.820 15.582 -0.329 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -11.893 18.443 -0.191 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.430 17.759 0.299 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -11.523 18.336 2.129 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.574 16.950 2.339 1.00 0.00 H new ATOM 1317 N GLU A 83 -9.064 17.466 -0.538 1.00 0.00 N ATOM 1318 CA GLU A 83 -7.937 17.969 -1.315 1.00 0.00 C ATOM 1319 C GLU A 83 -6.699 17.108 -1.085 1.00 0.00 C ATOM 1320 O GLU A 83 -5.940 16.832 -2.015 1.00 0.00 O ATOM 1321 CB GLU A 83 -7.643 19.425 -0.943 1.00 0.00 C ATOM 1322 CG GLU A 83 -7.708 20.378 -2.125 1.00 0.00 C ATOM 1323 CD GLU A 83 -7.317 21.796 -1.753 1.00 0.00 C ATOM 1324 OE1 GLU A 83 -6.165 21.998 -1.315 1.00 0.00 O ATOM 1325 OE2 GLU A 83 -8.163 22.702 -1.900 1.00 0.00 O ATOM 0 H GLU A 83 -9.445 18.133 0.133 1.00 0.00 H new ATOM 0 HA GLU A 83 -8.200 17.922 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.357 19.749 -0.185 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -6.652 19.484 -0.493 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -7.048 20.018 -2.914 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -8.719 20.379 -2.531 1.00 0.00 H new ATOM 1332 N MET A 84 -6.505 16.683 0.159 1.00 0.00 N ATOM 1333 CA MET A 84 -5.363 15.848 0.513 1.00 0.00 C ATOM 1334 C MET A 84 -5.692 14.373 0.305 1.00 0.00 C ATOM 1335 O MET A 84 -4.818 13.571 -0.024 1.00 0.00 O ATOM 1336 CB MET A 84 -4.955 16.097 1.967 1.00 0.00 C ATOM 1337 CG MET A 84 -3.770 15.260 2.422 1.00 0.00 C ATOM 1338 SD MET A 84 -3.916 14.723 4.138 1.00 0.00 S ATOM 1339 CE MET A 84 -5.508 13.905 4.103 1.00 0.00 C ATOM 0 H MET A 84 -7.124 16.903 0.939 1.00 0.00 H new ATOM 0 HA MET A 84 -4.529 16.112 -0.137 1.00 0.00 H new ATOM 0 HB2 MET A 84 -4.712 17.152 2.091 1.00 0.00 H new ATOM 0 HB3 MET A 84 -5.806 15.888 2.615 1.00 0.00 H new ATOM 0 HG2 MET A 84 -3.680 14.385 1.778 1.00 0.00 H new ATOM 0 HG3 MET A 84 -2.854 15.839 2.303 1.00 0.00 H new ATOM 0 HE1 MET A 84 -5.510 13.081 4.817 1.00 0.00 H new ATOM 0 HE2 MET A 84 -6.289 14.617 4.369 1.00 0.00 H new ATOM 0 HE3 MET A 84 -5.696 13.517 3.102 1.00 0.00 H new ATOM 1349 N ILE A 85 -6.960 14.027 0.499 1.00 0.00 N ATOM 1350 CA ILE A 85 -7.414 12.652 0.331 1.00 0.00 C ATOM 1351 C ILE A 85 -7.400 12.249 -1.141 1.00 0.00 C ATOM 1352 O ILE A 85 -6.985 11.143 -1.489 1.00 0.00 O ATOM 1353 CB ILE A 85 -8.836 12.466 0.910 1.00 0.00 C ATOM 1354 CG1 ILE A 85 -8.806 12.606 2.433 1.00 0.00 C ATOM 1355 CG2 ILE A 85 -9.422 11.117 0.509 1.00 0.00 C ATOM 1356 CD1 ILE A 85 -10.058 13.231 3.006 1.00 0.00 C ATOM 0 H ILE A 85 -7.693 14.681 0.773 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.725 12.009 0.878 1.00 0.00 H new ATOM 0 HB ILE A 85 -9.477 13.244 0.496 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -8.665 11.621 2.878 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -7.945 13.210 2.717 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -10.422 11.015 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -9.478 11.053 -0.578 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -8.785 10.317 0.887 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.967 13.299 4.090 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -10.190 14.230 2.589 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -10.921 12.615 2.752 1.00 0.00 H new ATOM 1368 N ASP A 86 -7.858 13.152 -2.002 1.00 0.00 N ATOM 1369 CA ASP A 86 -7.899 12.892 -3.438 1.00 0.00 C ATOM 1370 C ASP A 86 -6.529 12.464 -3.959 1.00 0.00 C ATOM 1371 O ASP A 86 -6.429 11.647 -4.874 1.00 0.00 O ATOM 1372 CB ASP A 86 -8.379 14.137 -4.189 1.00 0.00 C ATOM 1373 CG ASP A 86 -9.862 14.086 -4.501 1.00 0.00 C ATOM 1374 OD1 ASP A 86 -10.388 12.972 -4.703 1.00 0.00 O ATOM 1375 OD2 ASP A 86 -10.496 15.162 -4.545 1.00 0.00 O ATOM 0 H ASP A 86 -8.206 14.071 -1.731 1.00 0.00 H new ATOM 0 HA ASP A 86 -8.601 12.076 -3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -8.166 15.023 -3.591 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -7.818 14.237 -5.118 1.00 0.00 H new ATOM 1380 N GLU A 87 -5.476 13.021 -3.370 1.00 0.00 N ATOM 1381 CA GLU A 87 -4.113 12.695 -3.775 1.00 0.00 C ATOM 1382 C GLU A 87 -3.592 11.488 -3.002 1.00 0.00 C ATOM 1383 O GLU A 87 -2.880 10.649 -3.553 1.00 0.00 O ATOM 1384 CB GLU A 87 -3.190 13.894 -3.554 1.00 0.00 C ATOM 1385 CG GLU A 87 -3.275 14.937 -4.657 1.00 0.00 C ATOM 1386 CD GLU A 87 -2.075 15.864 -4.676 1.00 0.00 C ATOM 1387 OE1 GLU A 87 -1.866 16.585 -3.678 1.00 0.00 O ATOM 1388 OE2 GLU A 87 -1.344 15.867 -5.688 1.00 0.00 O ATOM 0 H GLU A 87 -5.540 13.700 -2.611 1.00 0.00 H new ATOM 0 HA GLU A 87 -4.125 12.448 -4.837 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.438 14.363 -2.602 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -2.162 13.541 -3.477 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -3.357 14.435 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -4.183 15.526 -4.526 1.00 0.00 H new ATOM 1395 N ARG A 88 -3.956 11.401 -1.727 1.00 0.00 N ATOM 1396 CA ARG A 88 -3.528 10.288 -0.890 1.00 0.00 C ATOM 1397 C ARG A 88 -3.959 8.960 -1.505 1.00 0.00 C ATOM 1398 O ARG A 88 -3.324 7.927 -1.291 1.00 0.00 O ATOM 1399 CB ARG A 88 -4.105 10.427 0.521 1.00 0.00 C ATOM 1400 CG ARG A 88 -3.061 10.311 1.619 1.00 0.00 C ATOM 1401 CD ARG A 88 -3.696 9.968 2.956 1.00 0.00 C ATOM 1402 NE ARG A 88 -2.888 10.431 4.081 1.00 0.00 N ATOM 1403 CZ ARG A 88 -3.360 10.598 5.315 1.00 0.00 C ATOM 1404 NH1 ARG A 88 -4.633 10.337 5.586 1.00 0.00 N ATOM 1405 NH2 ARG A 88 -2.557 11.025 6.279 1.00 0.00 N ATOM 0 H ARG A 88 -4.544 12.086 -1.253 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.440 10.306 -0.826 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -4.605 11.392 0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -4.865 9.660 0.671 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -2.335 9.543 1.352 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -2.515 11.251 1.704 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -4.687 10.418 3.012 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -3.831 8.889 3.027 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.904 10.639 3.912 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.254 10.007 4.847 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -4.990 10.466 6.533 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.578 11.226 6.076 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -2.918 11.153 7.224 1.00 0.00 H new ATOM 1419 N ARG A 89 -5.044 8.999 -2.276 1.00 0.00 N ATOM 1420 CA ARG A 89 -5.561 7.804 -2.929 1.00 0.00 C ATOM 1421 C ARG A 89 -4.527 7.222 -3.885 1.00 0.00 C ATOM 1422 O ARG A 89 -4.121 6.068 -3.747 1.00 0.00 O ATOM 1423 CB ARG A 89 -6.850 8.131 -3.687 1.00 0.00 C ATOM 1424 CG ARG A 89 -7.864 6.997 -3.682 1.00 0.00 C ATOM 1425 CD ARG A 89 -9.014 7.277 -2.725 1.00 0.00 C ATOM 1426 NE ARG A 89 -10.311 6.981 -3.329 1.00 0.00 N ATOM 1427 CZ ARG A 89 -10.939 7.795 -4.175 1.00 0.00 C ATOM 1428 NH1 ARG A 89 -10.392 8.953 -4.521 1.00 0.00 N ATOM 1429 NH2 ARG A 89 -12.116 7.448 -4.678 1.00 0.00 N ATOM 0 H ARG A 89 -5.580 9.846 -2.462 1.00 0.00 H new ATOM 0 HA ARG A 89 -5.779 7.062 -2.161 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -7.306 9.017 -3.246 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -6.602 8.381 -4.719 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -8.255 6.854 -4.689 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -7.370 6.068 -3.396 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -8.889 6.679 -1.823 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -8.986 8.323 -2.420 1.00 0.00 H new ATOM 0 HE ARG A 89 -10.762 6.098 -3.088 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -9.486 9.224 -4.139 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.877 9.573 -5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -12.540 6.558 -4.417 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -12.597 8.071 -5.326 1.00 0.00 H new ATOM 1443 N ILE A 90 -4.104 8.026 -4.857 1.00 0.00 N ATOM 1444 CA ILE A 90 -3.115 7.582 -5.832 1.00 0.00 C ATOM 1445 C ILE A 90 -1.784 7.271 -5.160 1.00 0.00 C ATOM 1446 O ILE A 90 -1.559 7.630 -4.005 1.00 0.00 O ATOM 1447 CB ILE A 90 -2.885 8.633 -6.934 1.00 0.00 C ATOM 1448 CG1 ILE A 90 -2.722 10.029 -6.322 1.00 0.00 C ATOM 1449 CG2 ILE A 90 -4.032 8.604 -7.933 1.00 0.00 C ATOM 1450 CD1 ILE A 90 -2.737 11.148 -7.339 1.00 0.00 C ATOM 0 H ILE A 90 -4.429 8.984 -4.989 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.514 6.676 -6.288 1.00 0.00 H new ATOM 0 HB ILE A 90 -1.964 8.391 -7.464 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -3.523 10.195 -5.601 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.783 10.066 -5.769 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -3.859 9.351 -8.708 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -4.092 7.616 -8.389 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -4.968 8.824 -7.419 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -2.617 12.104 -6.830 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.919 11.008 -8.046 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -3.686 11.140 -7.875 1.00 0.00 H new ATOM 1462 N GLY A 91 -0.904 6.599 -5.893 1.00 0.00 N ATOM 1463 CA GLY A 91 0.397 6.248 -5.352 1.00 0.00 C ATOM 1464 C GLY A 91 0.395 4.899 -4.660 1.00 0.00 C ATOM 1465 O GLY A 91 1.280 4.075 -4.888 1.00 0.00 O ATOM 0 H GLY A 91 -1.067 6.291 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 91 1.131 6.238 -6.158 1.00 0.00 H new ATOM 0 HA3 GLY A 91 0.711 7.015 -4.644 1.00 0.00 H new ATOM 1469 N LEU A 92 -0.600 4.676 -3.808 1.00 0.00 N ATOM 1470 CA LEU A 92 -0.714 3.420 -3.077 1.00 0.00 C ATOM 1471 C LEU A 92 -0.936 2.249 -4.030 1.00 0.00 C ATOM 1472 O LEU A 92 -0.229 1.243 -3.969 1.00 0.00 O ATOM 1473 CB LEU A 92 -1.864 3.497 -2.070 1.00 0.00 C ATOM 1474 CG LEU A 92 -1.766 4.645 -1.063 1.00 0.00 C ATOM 1475 CD1 LEU A 92 -3.015 4.701 -0.197 1.00 0.00 C ATOM 1476 CD2 LEU A 92 -0.521 4.494 -0.199 1.00 0.00 C ATOM 0 H LEU A 92 -1.339 5.349 -3.607 1.00 0.00 H new ATOM 0 HA LEU A 92 0.221 3.255 -2.542 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.801 3.594 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.911 2.556 -1.522 1.00 0.00 H new ATOM 0 HG LEU A 92 -1.688 5.582 -1.615 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -2.929 5.523 0.514 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.889 4.858 -0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.124 3.762 0.346 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.468 5.319 0.511 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -0.568 3.550 0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 92 0.365 4.504 -0.833 1.00 0.00 H new ATOM 1488 N GLU A 93 -1.926 2.384 -4.907 1.00 0.00 N ATOM 1489 CA GLU A 93 -2.246 1.335 -5.869 1.00 0.00 C ATOM 1490 C GLU A 93 -1.031 0.972 -6.721 1.00 0.00 C ATOM 1491 O GLU A 93 -0.618 -0.186 -6.766 1.00 0.00 O ATOM 1492 CB GLU A 93 -3.407 1.766 -6.769 1.00 0.00 C ATOM 1493 CG GLU A 93 -3.302 3.201 -7.268 1.00 0.00 C ATOM 1494 CD GLU A 93 -3.054 3.283 -8.761 1.00 0.00 C ATOM 1495 OE1 GLU A 93 -4.029 3.168 -9.533 1.00 0.00 O ATOM 1496 OE2 GLU A 93 -1.883 3.461 -9.159 1.00 0.00 O ATOM 0 H GLU A 93 -2.521 3.210 -4.971 1.00 0.00 H new ATOM 0 HA GLU A 93 -2.543 0.451 -5.305 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.456 1.096 -7.627 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -4.342 1.650 -6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.222 3.734 -7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -2.493 3.707 -6.741 1.00 0.00 H new ATOM 1503 N ARG A 94 -0.463 1.966 -7.399 1.00 0.00 N ATOM 1504 CA ARG A 94 0.701 1.739 -8.249 1.00 0.00 C ATOM 1505 C ARG A 94 1.883 1.219 -7.435 1.00 0.00 C ATOM 1506 O ARG A 94 2.736 0.500 -7.954 1.00 0.00 O ATOM 1507 CB ARG A 94 1.092 3.026 -8.981 1.00 0.00 C ATOM 1508 CG ARG A 94 1.347 4.206 -8.057 1.00 0.00 C ATOM 1509 CD ARG A 94 1.236 5.526 -8.804 1.00 0.00 C ATOM 1510 NE ARG A 94 2.441 5.825 -9.573 1.00 0.00 N ATOM 1511 CZ ARG A 94 3.532 6.387 -9.057 1.00 0.00 C ATOM 1512 NH1 ARG A 94 3.577 6.709 -7.770 1.00 0.00 N ATOM 1513 NH2 ARG A 94 4.583 6.627 -9.830 1.00 0.00 N ATOM 0 H ARG A 94 -0.789 2.932 -7.376 1.00 0.00 H new ATOM 0 HA ARG A 94 0.433 0.982 -8.986 1.00 0.00 H new ATOM 0 HB2 ARG A 94 1.989 2.839 -9.571 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.299 3.290 -9.681 1.00 0.00 H new ATOM 0 HG2 ARG A 94 0.631 4.189 -7.236 1.00 0.00 H new ATOM 0 HG3 ARG A 94 2.340 4.118 -7.616 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.378 5.491 -9.475 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.052 6.331 -8.092 1.00 0.00 H new ATOM 0 HE ARG A 94 2.447 5.589 -10.565 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.773 6.526 -7.170 1.00 0.00 H new ATOM 0 HH12 ARG A 94 4.416 7.139 -7.381 1.00 0.00 H new ATOM 0 HH21 ARG A 94 4.555 6.381 -10.819 1.00 0.00 H new ATOM 0 HH22 ARG A 94 5.419 7.058 -9.435 1.00 0.00 H new ATOM 1527 N PHE A 95 1.926 1.582 -6.156 1.00 0.00 N ATOM 1528 CA PHE A 95 3.003 1.144 -5.277 1.00 0.00 C ATOM 1529 C PHE A 95 2.979 -0.374 -5.109 1.00 0.00 C ATOM 1530 O PHE A 95 4.021 -1.004 -4.932 1.00 0.00 O ATOM 1531 CB PHE A 95 2.884 1.827 -3.911 1.00 0.00 C ATOM 1532 CG PHE A 95 3.921 1.380 -2.919 1.00 0.00 C ATOM 1533 CD1 PHE A 95 3.797 0.163 -2.269 1.00 0.00 C ATOM 1534 CD2 PHE A 95 5.019 2.178 -2.635 1.00 0.00 C ATOM 1535 CE1 PHE A 95 4.747 -0.250 -1.355 1.00 0.00 C ATOM 1536 CE2 PHE A 95 5.972 1.769 -1.722 1.00 0.00 C ATOM 1537 CZ PHE A 95 5.836 0.553 -1.081 1.00 0.00 C ATOM 0 H PHE A 95 1.229 2.177 -5.707 1.00 0.00 H new ATOM 0 HA PHE A 95 3.953 1.426 -5.732 1.00 0.00 H new ATOM 0 HB2 PHE A 95 2.964 2.906 -4.046 1.00 0.00 H new ATOM 0 HB3 PHE A 95 1.893 1.630 -3.501 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.948 -0.470 -2.479 1.00 0.00 H new ATOM 0 HD2 PHE A 95 5.130 3.130 -3.133 1.00 0.00 H new ATOM 0 HE1 PHE A 95 4.638 -1.201 -0.855 1.00 0.00 H new ATOM 0 HE2 PHE A 95 6.823 2.400 -1.510 1.00 0.00 H new ATOM 0 HZ PHE A 95 6.580 0.231 -0.367 1.00 0.00 H new ATOM 1547 N LEU A 96 1.783 -0.950 -5.167 1.00 0.00 N ATOM 1548 CA LEU A 96 1.621 -2.393 -5.023 1.00 0.00 C ATOM 1549 C LEU A 96 1.763 -3.095 -6.371 1.00 0.00 C ATOM 1550 O LEU A 96 2.376 -4.159 -6.466 1.00 0.00 O ATOM 1551 CB LEU A 96 0.257 -2.715 -4.410 1.00 0.00 C ATOM 1552 CG LEU A 96 -0.057 -1.985 -3.103 1.00 0.00 C ATOM 1553 CD1 LEU A 96 -1.441 -2.363 -2.601 1.00 0.00 C ATOM 1554 CD2 LEU A 96 0.997 -2.300 -2.053 1.00 0.00 C ATOM 0 H LEU A 96 0.912 -0.440 -5.313 1.00 0.00 H new ATOM 0 HA LEU A 96 2.406 -2.757 -4.360 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -0.517 -2.473 -5.138 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.201 -3.789 -4.231 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.043 -0.912 -3.294 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -1.647 -1.834 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.186 -2.088 -3.347 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -1.483 -3.438 -2.425 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.759 -1.773 -1.129 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.013 -3.373 -1.864 1.00 0.00 H new ATOM 0 HD23 LEU A 96 1.975 -1.980 -2.412 1.00 0.00 H new ATOM 1566 N ASN A 97 1.190 -2.494 -7.412 1.00 0.00 N ATOM 1567 CA ASN A 97 1.249 -3.063 -8.756 1.00 0.00 C ATOM 1568 C ASN A 97 2.681 -3.432 -9.135 1.00 0.00 C ATOM 1569 O ASN A 97 2.976 -4.591 -9.427 1.00 0.00 O ATOM 1570 CB ASN A 97 0.681 -2.072 -9.774 1.00 0.00 C ATOM 1571 CG ASN A 97 -0.777 -2.341 -10.091 1.00 0.00 C ATOM 1572 OD1 ASN A 97 -1.098 -2.975 -11.096 1.00 0.00 O ATOM 1573 ND2 ASN A 97 -1.668 -1.858 -9.234 1.00 0.00 N ATOM 0 H ASN A 97 0.680 -1.613 -7.350 1.00 0.00 H new ATOM 0 HA ASN A 97 0.647 -3.972 -8.763 1.00 0.00 H new ATOM 0 HB2 ASN A 97 0.785 -1.058 -9.387 1.00 0.00 H new ATOM 0 HB3 ASN A 97 1.265 -2.124 -10.693 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -2.664 -2.007 -9.396 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -1.357 -1.338 -8.414 1.00 0.00 H new ATOM 1580 N GLU A 98 3.565 -2.440 -9.127 1.00 0.00 N ATOM 1581 CA GLU A 98 4.965 -2.660 -9.470 1.00 0.00 C ATOM 1582 C GLU A 98 5.642 -3.604 -8.476 1.00 0.00 C ATOM 1583 O GLU A 98 6.716 -4.139 -8.750 1.00 0.00 O ATOM 1584 CB GLU A 98 5.714 -1.326 -9.516 1.00 0.00 C ATOM 1585 CG GLU A 98 7.191 -1.466 -9.850 1.00 0.00 C ATOM 1586 CD GLU A 98 7.651 -0.470 -10.897 1.00 0.00 C ATOM 1587 OE1 GLU A 98 7.086 -0.477 -12.012 1.00 0.00 O ATOM 1588 OE2 GLU A 98 8.574 0.318 -10.602 1.00 0.00 O ATOM 0 H GLU A 98 3.337 -1.475 -8.887 1.00 0.00 H new ATOM 0 HA GLU A 98 4.997 -3.126 -10.455 1.00 0.00 H new ATOM 0 HB2 GLU A 98 5.243 -0.680 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU A 98 5.614 -0.830 -8.551 1.00 0.00 H new ATOM 0 HG2 GLU A 98 7.779 -1.330 -8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 98 7.384 -2.478 -10.207 1.00 0.00 H new ATOM 1595 N LEU A 99 5.013 -3.802 -7.320 1.00 0.00 N ATOM 1596 CA LEU A 99 5.563 -4.678 -6.291 1.00 0.00 C ATOM 1597 C LEU A 99 5.162 -6.131 -6.522 1.00 0.00 C ATOM 1598 O LEU A 99 6.014 -7.017 -6.589 1.00 0.00 O ATOM 1599 CB LEU A 99 5.096 -4.227 -4.911 1.00 0.00 C ATOM 1600 CG LEU A 99 5.881 -4.831 -3.748 1.00 0.00 C ATOM 1601 CD1 LEU A 99 6.119 -3.792 -2.668 1.00 0.00 C ATOM 1602 CD2 LEU A 99 5.148 -6.037 -3.185 1.00 0.00 C ATOM 0 H LEU A 99 4.123 -3.368 -7.073 1.00 0.00 H new ATOM 0 HA LEU A 99 6.650 -4.613 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.166 -3.141 -4.855 1.00 0.00 H new ATOM 0 HB3 LEU A 99 4.043 -4.485 -4.795 1.00 0.00 H new ATOM 0 HG LEU A 99 6.851 -5.162 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 99 6.680 -4.241 -1.848 1.00 0.00 H new ATOM 0 HD12 LEU A 99 6.687 -2.960 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 99 5.161 -3.428 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.720 -6.456 -2.357 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.164 -5.731 -2.829 1.00 0.00 H new ATOM 0 HD23 LEU A 99 5.033 -6.790 -3.965 1.00 0.00 H new ATOM 1614 N TYR A 100 3.859 -6.373 -6.624 1.00 0.00 N ATOM 1615 CA TYR A 100 3.343 -7.723 -6.828 1.00 0.00 C ATOM 1616 C TYR A 100 3.548 -8.206 -8.265 1.00 0.00 C ATOM 1617 O TYR A 100 3.336 -9.381 -8.563 1.00 0.00 O ATOM 1618 CB TYR A 100 1.858 -7.778 -6.468 1.00 0.00 C ATOM 1619 CG TYR A 100 1.592 -7.709 -4.980 1.00 0.00 C ATOM 1620 CD1 TYR A 100 1.563 -6.488 -4.317 1.00 0.00 C ATOM 1621 CD2 TYR A 100 1.372 -8.863 -4.240 1.00 0.00 C ATOM 1622 CE1 TYR A 100 1.322 -6.420 -2.957 1.00 0.00 C ATOM 1623 CE2 TYR A 100 1.130 -8.803 -2.880 1.00 0.00 C ATOM 1624 CZ TYR A 100 1.106 -7.580 -2.244 1.00 0.00 C ATOM 1625 OH TYR A 100 0.866 -7.517 -0.890 1.00 0.00 O ATOM 0 H TYR A 100 3.140 -5.651 -6.569 1.00 0.00 H new ATOM 0 HA TYR A 100 3.905 -8.389 -6.173 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.343 -6.953 -6.959 1.00 0.00 H new ATOM 0 HB3 TYR A 100 1.431 -8.700 -6.862 1.00 0.00 H new ATOM 0 HD1 TYR A 100 1.731 -5.577 -4.873 1.00 0.00 H new ATOM 0 HD2 TYR A 100 1.390 -9.823 -4.735 1.00 0.00 H new ATOM 0 HE1 TYR A 100 1.303 -5.463 -2.456 1.00 0.00 H new ATOM 0 HE2 TYR A 100 0.961 -9.710 -2.319 1.00 0.00 H new ATOM 0 HH TYR A 100 0.421 -6.671 -0.676 1.00 0.00 H new ATOM 1635 N ASN A 101 3.955 -7.304 -9.155 1.00 0.00 N ATOM 1636 CA ASN A 101 4.174 -7.666 -10.552 1.00 0.00 C ATOM 1637 C ASN A 101 5.644 -7.997 -10.812 1.00 0.00 C ATOM 1638 O ASN A 101 6.237 -7.518 -11.778 1.00 0.00 O ATOM 1639 CB ASN A 101 3.711 -6.536 -11.478 1.00 0.00 C ATOM 1640 CG ASN A 101 4.642 -5.338 -11.459 1.00 0.00 C ATOM 1641 OD1 ASN A 101 5.565 -5.267 -10.648 1.00 0.00 O ATOM 1642 ND2 ASN A 101 4.403 -4.389 -12.356 1.00 0.00 N ATOM 0 H ASN A 101 4.138 -6.325 -8.936 1.00 0.00 H new ATOM 0 HA ASN A 101 3.584 -8.557 -10.764 1.00 0.00 H new ATOM 0 HB2 ASN A 101 3.636 -6.916 -12.497 1.00 0.00 H new ATOM 0 HB3 ASN A 101 2.711 -6.218 -11.183 1.00 0.00 H new ATOM 0 HD21 ASN A 101 4.996 -3.560 -12.392 1.00 0.00 H new ATOM 0 HD22 ASN A 101 3.626 -4.489 -13.010 1.00 0.00 H new ATOM 1649 N ASP A 102 6.224 -8.822 -9.945 1.00 0.00 N ATOM 1650 CA ASP A 102 7.622 -9.215 -10.087 1.00 0.00 C ATOM 1651 C ASP A 102 7.744 -10.515 -10.877 1.00 0.00 C ATOM 1652 O ASP A 102 6.841 -11.350 -10.859 1.00 0.00 O ATOM 1653 CB ASP A 102 8.270 -9.376 -8.711 1.00 0.00 C ATOM 1654 CG ASP A 102 8.572 -8.043 -8.055 1.00 0.00 C ATOM 1655 OD1 ASP A 102 9.060 -7.133 -8.757 1.00 0.00 O ATOM 1656 OD2 ASP A 102 8.321 -7.908 -6.839 1.00 0.00 O ATOM 0 H ASP A 102 5.749 -9.230 -9.140 1.00 0.00 H new ATOM 0 HA ASP A 102 8.141 -8.429 -10.635 1.00 0.00 H new ATOM 0 HB2 ASP A 102 7.608 -9.954 -8.066 1.00 0.00 H new ATOM 0 HB3 ASP A 102 9.194 -9.946 -8.812 1.00 0.00 H new ATOM 1661 N ARG A 103 8.868 -10.677 -11.569 1.00 0.00 N ATOM 1662 CA ARG A 103 9.108 -11.877 -12.367 1.00 0.00 C ATOM 1663 C ARG A 103 10.242 -12.709 -11.773 1.00 0.00 C ATOM 1664 O ARG A 103 10.002 -13.716 -11.107 1.00 0.00 O ATOM 1665 CB ARG A 103 9.432 -11.508 -13.821 1.00 0.00 C ATOM 1666 CG ARG A 103 10.017 -10.114 -13.996 1.00 0.00 C ATOM 1667 CD ARG A 103 8.926 -9.056 -14.069 1.00 0.00 C ATOM 1668 NE ARG A 103 9.217 -7.911 -13.210 1.00 0.00 N ATOM 1669 CZ ARG A 103 10.249 -7.091 -13.391 1.00 0.00 C ATOM 1670 NH1 ARG A 103 11.089 -7.282 -14.402 1.00 0.00 N ATOM 1671 NH2 ARG A 103 10.443 -6.075 -12.561 1.00 0.00 N ATOM 0 H ARG A 103 9.626 -9.995 -11.594 1.00 0.00 H new ATOM 0 HA ARG A 103 8.196 -12.474 -12.353 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.136 -12.238 -14.221 1.00 0.00 H new ATOM 0 HB3 ARG A 103 8.521 -11.585 -14.415 1.00 0.00 H new ATOM 0 HG2 ARG A 103 10.685 -9.892 -13.164 1.00 0.00 H new ATOM 0 HG3 ARG A 103 10.618 -10.082 -14.905 1.00 0.00 H new ATOM 0 HD2 ARG A 103 8.817 -8.718 -15.099 1.00 0.00 H new ATOM 0 HD3 ARG A 103 7.973 -9.497 -13.776 1.00 0.00 H new ATOM 0 HE ARG A 103 8.592 -7.729 -12.425 1.00 0.00 H new ATOM 0 HH11 ARG A 103 10.945 -8.061 -15.045 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.878 -6.650 -14.536 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.801 -5.922 -11.783 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.234 -5.447 -12.700 1.00 0.00 H new ATOM 1685 N PHE A 104 11.478 -12.282 -12.017 1.00 0.00 N ATOM 1686 CA PHE A 104 12.645 -12.990 -11.505 1.00 0.00 C ATOM 1687 C PHE A 104 12.940 -12.575 -10.068 1.00 0.00 C ATOM 1688 O PHE A 104 13.301 -13.403 -9.232 1.00 0.00 O ATOM 1689 CB PHE A 104 13.863 -12.717 -12.389 1.00 0.00 C ATOM 1690 CG PHE A 104 14.079 -13.759 -13.451 1.00 0.00 C ATOM 1691 CD1 PHE A 104 13.465 -13.643 -14.688 1.00 0.00 C ATOM 1692 CD2 PHE A 104 14.894 -14.853 -13.210 1.00 0.00 C ATOM 1693 CE1 PHE A 104 13.662 -14.601 -15.665 1.00 0.00 C ATOM 1694 CE2 PHE A 104 15.094 -15.813 -14.185 1.00 0.00 C ATOM 1695 CZ PHE A 104 14.477 -15.686 -15.413 1.00 0.00 C ATOM 0 H PHE A 104 11.696 -11.450 -12.566 1.00 0.00 H new ATOM 0 HA PHE A 104 12.429 -14.058 -11.520 1.00 0.00 H new ATOM 0 HB2 PHE A 104 13.746 -11.743 -12.865 1.00 0.00 H new ATOM 0 HB3 PHE A 104 14.752 -12.660 -11.761 1.00 0.00 H new ATOM 0 HD1 PHE A 104 12.826 -12.796 -14.891 1.00 0.00 H new ATOM 0 HD2 PHE A 104 15.378 -14.957 -12.250 1.00 0.00 H new ATOM 0 HE1 PHE A 104 13.178 -14.500 -16.625 1.00 0.00 H new ATOM 0 HE2 PHE A 104 15.732 -16.661 -13.986 1.00 0.00 H new ATOM 0 HZ PHE A 104 14.632 -16.435 -16.176 1.00 0.00 H new ATOM 1705 N ASP A 105 12.780 -11.286 -9.788 1.00 0.00 N ATOM 1706 CA ASP A 105 13.024 -10.757 -8.452 1.00 0.00 C ATOM 1707 C ASP A 105 11.730 -10.251 -7.828 1.00 0.00 C ATOM 1708 O ASP A 105 11.232 -9.184 -8.185 1.00 0.00 O ATOM 1709 CB ASP A 105 14.054 -9.629 -8.508 1.00 0.00 C ATOM 1710 CG ASP A 105 13.596 -8.469 -9.370 1.00 0.00 C ATOM 1711 OD1 ASP A 105 13.272 -8.702 -10.554 1.00 0.00 O ATOM 1712 OD2 ASP A 105 13.561 -7.328 -8.862 1.00 0.00 O ATOM 0 H ASP A 105 12.482 -10.588 -10.470 1.00 0.00 H new ATOM 0 HA ASP A 105 13.415 -11.564 -7.832 1.00 0.00 H new ATOM 0 HB2 ASP A 105 14.252 -9.271 -7.498 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.994 -10.019 -8.898 1.00 0.00 H new ATOM 1717 N SER A 106 11.192 -11.026 -6.895 1.00 0.00 N ATOM 1718 CA SER A 106 9.954 -10.660 -6.220 1.00 0.00 C ATOM 1719 C SER A 106 10.139 -10.653 -4.707 1.00 0.00 C ATOM 1720 O SER A 106 9.198 -10.911 -3.955 1.00 0.00 O ATOM 1721 CB SER A 106 8.833 -11.626 -6.604 1.00 0.00 C ATOM 1722 OG SER A 106 9.026 -12.895 -6.004 1.00 0.00 O ATOM 0 H SER A 106 11.594 -11.912 -6.589 1.00 0.00 H new ATOM 0 HA SER A 106 9.681 -9.654 -6.538 1.00 0.00 H new ATOM 0 HB2 SER A 106 7.872 -11.215 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 106 8.797 -11.734 -7.688 1.00 0.00 H new ATOM 0 HG SER A 106 9.092 -12.791 -5.032 1.00 0.00 H new ATOM 1728 N ARG A 107 11.357 -10.354 -4.265 1.00 0.00 N ATOM 1729 CA ARG A 107 11.660 -10.311 -2.838 1.00 0.00 C ATOM 1730 C ARG A 107 10.752 -9.316 -2.124 1.00 0.00 C ATOM 1731 O ARG A 107 10.399 -9.505 -0.959 1.00 0.00 O ATOM 1732 CB ARG A 107 13.125 -9.929 -2.614 1.00 0.00 C ATOM 1733 CG ARG A 107 14.109 -10.791 -3.388 1.00 0.00 C ATOM 1734 CD ARG A 107 15.414 -10.054 -3.636 1.00 0.00 C ATOM 1735 NE ARG A 107 15.360 -9.232 -4.842 1.00 0.00 N ATOM 1736 CZ ARG A 107 16.205 -8.237 -5.099 1.00 0.00 C ATOM 1737 NH1 ARG A 107 17.171 -7.937 -4.239 1.00 0.00 N ATOM 1738 NH2 ARG A 107 16.086 -7.538 -6.220 1.00 0.00 N ATOM 0 H ARG A 107 12.148 -10.139 -4.872 1.00 0.00 H new ATOM 0 HA ARG A 107 11.485 -11.304 -2.425 1.00 0.00 H new ATOM 0 HB2 ARG A 107 13.267 -8.887 -2.899 1.00 0.00 H new ATOM 0 HB3 ARG A 107 13.351 -10.002 -1.550 1.00 0.00 H new ATOM 0 HG2 ARG A 107 14.307 -11.708 -2.833 1.00 0.00 H new ATOM 0 HG3 ARG A 107 13.668 -11.084 -4.341 1.00 0.00 H new ATOM 0 HD2 ARG A 107 15.642 -9.423 -2.777 1.00 0.00 H new ATOM 0 HD3 ARG A 107 16.226 -10.776 -3.726 1.00 0.00 H new ATOM 0 HE ARG A 107 14.632 -9.433 -5.527 1.00 0.00 H new ATOM 0 HH11 ARG A 107 17.269 -8.471 -3.375 1.00 0.00 H new ATOM 0 HH12 ARG A 107 17.816 -7.173 -4.442 1.00 0.00 H new ATOM 0 HH21 ARG A 107 15.346 -7.763 -6.885 1.00 0.00 H new ATOM 0 HH22 ARG A 107 16.734 -6.775 -6.417 1.00 0.00 H new ATOM 1752 N TRP A 108 10.377 -8.257 -2.833 1.00 0.00 N ATOM 1753 CA TRP A 108 9.510 -7.226 -2.273 1.00 0.00 C ATOM 1754 C TRP A 108 8.161 -7.806 -1.860 1.00 0.00 C ATOM 1755 O TRP A 108 7.691 -7.574 -0.746 1.00 0.00 O ATOM 1756 CB TRP A 108 9.304 -6.099 -3.287 1.00 0.00 C ATOM 1757 CG TRP A 108 10.584 -5.468 -3.741 1.00 0.00 C ATOM 1758 CD1 TRP A 108 11.186 -5.619 -4.957 1.00 0.00 C ATOM 1759 CD2 TRP A 108 11.422 -4.586 -2.984 1.00 0.00 C ATOM 1760 NE1 TRP A 108 12.347 -4.886 -5.002 1.00 0.00 N ATOM 1761 CE2 TRP A 108 12.514 -4.242 -3.803 1.00 0.00 C ATOM 1762 CE3 TRP A 108 11.354 -4.055 -1.694 1.00 0.00 C ATOM 1763 CZ2 TRP A 108 13.529 -3.392 -3.374 1.00 0.00 C ATOM 1764 CZ3 TRP A 108 12.362 -3.209 -1.268 1.00 0.00 C ATOM 1765 CH2 TRP A 108 13.437 -2.885 -2.106 1.00 0.00 C ATOM 0 H TRP A 108 10.660 -8.090 -3.798 1.00 0.00 H new ATOM 0 HA TRP A 108 9.997 -6.825 -1.384 1.00 0.00 H new ATOM 0 HB2 TRP A 108 8.774 -6.493 -4.154 1.00 0.00 H new ATOM 0 HB3 TRP A 108 8.667 -5.333 -2.844 1.00 0.00 H new ATOM 0 HD1 TRP A 108 10.805 -6.226 -5.765 1.00 0.00 H new ATOM 0 HE1 TRP A 108 12.982 -4.830 -5.798 1.00 0.00 H new ATOM 0 HE3 TRP A 108 10.529 -4.300 -1.041 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 14.359 -3.142 -4.018 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 12.320 -2.791 -0.273 1.00 0.00 H new ATOM 0 HH2 TRP A 108 14.209 -2.222 -1.744 1.00 0.00 H new ATOM 1776 N ARG A 109 7.540 -8.560 -2.763 1.00 0.00 N ATOM 1777 CA ARG A 109 6.243 -9.169 -2.484 1.00 0.00 C ATOM 1778 C ARG A 109 6.404 -10.502 -1.758 1.00 0.00 C ATOM 1779 O ARG A 109 5.487 -10.961 -1.077 1.00 0.00 O ATOM 1780 CB ARG A 109 5.451 -9.365 -3.780 1.00 0.00 C ATOM 1781 CG ARG A 109 6.185 -10.184 -4.829 1.00 0.00 C ATOM 1782 CD ARG A 109 5.807 -11.653 -4.754 1.00 0.00 C ATOM 1783 NE ARG A 109 4.606 -11.952 -5.531 1.00 0.00 N ATOM 1784 CZ ARG A 109 4.277 -13.173 -5.947 1.00 0.00 C ATOM 1785 NH1 ARG A 109 5.052 -14.212 -5.661 1.00 0.00 N ATOM 1786 NH2 ARG A 109 3.168 -13.355 -6.651 1.00 0.00 N ATOM 0 H ARG A 109 7.912 -8.763 -3.691 1.00 0.00 H new ATOM 0 HA ARG A 109 5.690 -8.492 -1.833 1.00 0.00 H new ATOM 0 HB2 ARG A 109 4.505 -9.854 -3.547 1.00 0.00 H new ATOM 0 HB3 ARG A 109 5.210 -8.388 -4.199 1.00 0.00 H new ATOM 0 HG2 ARG A 109 5.953 -9.798 -5.821 1.00 0.00 H new ATOM 0 HG3 ARG A 109 7.261 -10.077 -4.689 1.00 0.00 H new ATOM 0 HD2 ARG A 109 6.635 -12.259 -5.120 1.00 0.00 H new ATOM 0 HD3 ARG A 109 5.644 -11.932 -3.713 1.00 0.00 H new ATOM 0 HE ARG A 109 3.983 -11.180 -5.769 1.00 0.00 H new ATOM 0 HH11 ARG A 109 5.906 -14.078 -5.119 1.00 0.00 H new ATOM 0 HH12 ARG A 109 4.794 -15.145 -5.983 1.00 0.00 H new ATOM 0 HH21 ARG A 109 2.569 -12.560 -6.873 1.00 0.00 H new ATOM 0 HH22 ARG A 109 2.914 -14.290 -6.971 1.00 0.00 H new ATOM 1800 N ASP A 110 7.574 -11.118 -1.902 1.00 0.00 N ATOM 1801 CA ASP A 110 7.847 -12.396 -1.254 1.00 0.00 C ATOM 1802 C ASP A 110 7.985 -12.219 0.256 1.00 0.00 C ATOM 1803 O ASP A 110 7.744 -13.151 1.024 1.00 0.00 O ATOM 1804 CB ASP A 110 9.122 -13.020 -1.825 1.00 0.00 C ATOM 1805 CG ASP A 110 8.831 -14.040 -2.909 1.00 0.00 C ATOM 1806 OD1 ASP A 110 7.840 -14.786 -2.770 1.00 0.00 O ATOM 1807 OD2 ASP A 110 9.594 -14.091 -3.896 1.00 0.00 O ATOM 0 H ASP A 110 8.346 -10.754 -2.460 1.00 0.00 H new ATOM 0 HA ASP A 110 7.007 -13.062 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 110 9.758 -12.233 -2.231 1.00 0.00 H new ATOM 0 HB3 ASP A 110 9.681 -13.498 -1.021 1.00 0.00 H new ATOM 1812 N THR A 111 8.376 -11.019 0.675 1.00 0.00 N ATOM 1813 CA THR A 111 8.549 -10.715 2.090 1.00 0.00 C ATOM 1814 C THR A 111 7.288 -11.048 2.883 1.00 0.00 C ATOM 1815 O THR A 111 6.177 -10.992 2.356 1.00 0.00 O ATOM 1816 CB THR A 111 8.903 -9.238 2.270 1.00 0.00 C ATOM 1817 OG1 THR A 111 9.101 -8.609 1.017 1.00 0.00 O ATOM 1818 CG2 THR A 111 10.154 -9.022 3.091 1.00 0.00 C ATOM 0 H THR A 111 8.580 -10.239 0.051 1.00 0.00 H new ATOM 0 HA THR A 111 9.364 -11.331 2.471 1.00 0.00 H new ATOM 0 HB THR A 111 8.056 -8.802 2.799 1.00 0.00 H new ATOM 0 HG1 THR A 111 8.265 -8.188 0.727 1.00 0.00 H new ATOM 0 HG21 THR A 111 10.350 -7.954 3.181 1.00 0.00 H new ATOM 0 HG22 THR A 111 10.016 -9.451 4.084 1.00 0.00 H new ATOM 0 HG23 THR A 111 10.999 -9.506 2.601 1.00 0.00 H new ATOM 1826 N LYS A 112 7.470 -11.392 4.154 1.00 0.00 N ATOM 1827 CA LYS A 112 6.349 -11.730 5.022 1.00 0.00 C ATOM 1828 C LYS A 112 5.501 -10.495 5.309 1.00 0.00 C ATOM 1829 O LYS A 112 4.280 -10.584 5.441 1.00 0.00 O ATOM 1830 CB LYS A 112 6.857 -12.336 6.333 1.00 0.00 C ATOM 1831 CG LYS A 112 6.389 -13.763 6.564 1.00 0.00 C ATOM 1832 CD LYS A 112 4.925 -13.809 6.974 1.00 0.00 C ATOM 1833 CE LYS A 112 4.255 -15.089 6.501 1.00 0.00 C ATOM 1834 NZ LYS A 112 4.905 -16.300 7.074 1.00 0.00 N ATOM 0 H LYS A 112 8.383 -11.444 4.605 1.00 0.00 H new ATOM 0 HA LYS A 112 5.728 -12.466 4.511 1.00 0.00 H new ATOM 0 HB2 LYS A 112 7.947 -12.315 6.335 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.524 -11.714 7.164 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.532 -14.346 5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 112 7.000 -14.227 7.339 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.847 -13.736 8.059 1.00 0.00 H new ATOM 0 HD3 LYS A 112 4.402 -12.948 6.558 1.00 0.00 H new ATOM 0 HE2 LYS A 112 3.202 -15.074 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 112 4.292 -15.138 5.413 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 4.340 -17.141 6.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 5.861 -16.402 6.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.969 -16.204 8.108 1.00 0.00 H new ATOM 1848 N ILE A 113 6.157 -9.343 5.402 1.00 0.00 N ATOM 1849 CA ILE A 113 5.464 -8.089 5.670 1.00 0.00 C ATOM 1850 C ILE A 113 4.478 -7.762 4.554 1.00 0.00 C ATOM 1851 O ILE A 113 3.387 -7.251 4.805 1.00 0.00 O ATOM 1852 CB ILE A 113 6.458 -6.917 5.827 1.00 0.00 C ATOM 1853 CG1 ILE A 113 7.214 -6.677 4.518 1.00 0.00 C ATOM 1854 CG2 ILE A 113 7.434 -7.198 6.959 1.00 0.00 C ATOM 1855 CD1 ILE A 113 8.219 -5.548 4.599 1.00 0.00 C ATOM 0 H ILE A 113 7.167 -9.252 5.296 1.00 0.00 H new ATOM 0 HA ILE A 113 4.921 -8.219 6.606 1.00 0.00 H new ATOM 0 HB ILE A 113 5.894 -6.016 6.070 1.00 0.00 H new ATOM 0 HG12 ILE A 113 7.731 -7.593 4.233 1.00 0.00 H new ATOM 0 HG13 ILE A 113 6.496 -6.457 3.728 1.00 0.00 H new ATOM 0 HG21 ILE A 113 8.128 -6.363 7.057 1.00 0.00 H new ATOM 0 HG22 ILE A 113 6.883 -7.324 7.891 1.00 0.00 H new ATOM 0 HG23 ILE A 113 7.991 -8.109 6.741 1.00 0.00 H new ATOM 0 HD11 ILE A 113 8.717 -5.435 3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 113 7.705 -4.621 4.853 1.00 0.00 H new ATOM 0 HD13 ILE A 113 8.960 -5.774 5.366 1.00 0.00 H new ATOM 1867 N ALA A 114 4.871 -8.062 3.320 1.00 0.00 N ATOM 1868 CA ALA A 114 4.023 -7.805 2.165 1.00 0.00 C ATOM 1869 C ALA A 114 2.743 -8.628 2.236 1.00 0.00 C ATOM 1870 O ALA A 114 1.644 -8.105 2.055 1.00 0.00 O ATOM 1871 CB ALA A 114 4.779 -8.103 0.879 1.00 0.00 C ATOM 0 H ALA A 114 5.772 -8.484 3.096 1.00 0.00 H new ATOM 0 HA ALA A 114 3.747 -6.751 2.171 1.00 0.00 H new ATOM 0 HB1 ALA A 114 4.133 -7.907 0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 114 5.662 -7.467 0.820 1.00 0.00 H new ATOM 0 HB3 ALA A 114 5.084 -9.149 0.870 1.00 0.00 H new ATOM 1877 N GLN A 115 2.894 -9.923 2.500 1.00 0.00 N ATOM 1878 CA GLN A 115 1.750 -10.821 2.596 1.00 0.00 C ATOM 1879 C GLN A 115 0.822 -10.410 3.734 1.00 0.00 C ATOM 1880 O GLN A 115 -0.400 -10.480 3.605 1.00 0.00 O ATOM 1881 CB GLN A 115 2.222 -12.261 2.795 1.00 0.00 C ATOM 1882 CG GLN A 115 2.498 -12.986 1.491 1.00 0.00 C ATOM 1883 CD GLN A 115 3.783 -13.788 1.526 1.00 0.00 C ATOM 1884 OE1 GLN A 115 4.222 -14.236 2.586 1.00 0.00 O ATOM 1885 NE2 GLN A 115 4.394 -13.974 0.362 1.00 0.00 N ATOM 0 H GLN A 115 3.797 -10.372 2.651 1.00 0.00 H new ATOM 0 HA GLN A 115 1.191 -10.756 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 115 3.128 -12.259 3.401 1.00 0.00 H new ATOM 0 HB3 GLN A 115 1.465 -12.810 3.355 1.00 0.00 H new ATOM 0 HG2 GLN A 115 1.665 -13.653 1.268 1.00 0.00 H new ATOM 0 HG3 GLN A 115 2.551 -12.259 0.680 1.00 0.00 H new ATOM 0 HE21 GLN A 115 3.994 -13.585 -0.492 1.00 0.00 H new ATOM 0 HE22 GLN A 115 5.263 -14.506 0.322 1.00 0.00 H new ATOM 1894 N ASP A 116 1.407 -9.979 4.846 1.00 0.00 N ATOM 1895 CA ASP A 116 0.624 -9.557 6.001 1.00 0.00 C ATOM 1896 C ASP A 116 -0.114 -8.254 5.706 1.00 0.00 C ATOM 1897 O ASP A 116 -1.161 -7.975 6.290 1.00 0.00 O ATOM 1898 CB ASP A 116 1.529 -9.378 7.221 1.00 0.00 C ATOM 1899 CG ASP A 116 0.828 -9.734 8.517 1.00 0.00 C ATOM 1900 OD1 ASP A 116 -0.418 -9.670 8.556 1.00 0.00 O ATOM 1901 OD2 ASP A 116 1.527 -10.078 9.495 1.00 0.00 O ATOM 0 H ASP A 116 2.417 -9.913 4.972 1.00 0.00 H new ATOM 0 HA ASP A 116 -0.111 -10.333 6.215 1.00 0.00 H new ATOM 0 HB2 ASP A 116 2.415 -10.002 7.107 1.00 0.00 H new ATOM 0 HB3 ASP A 116 1.871 -8.344 7.268 1.00 0.00 H new ATOM 1906 N PHE A 117 0.442 -7.459 4.796 1.00 0.00 N ATOM 1907 CA PHE A 117 -0.151 -6.186 4.419 1.00 0.00 C ATOM 1908 C PHE A 117 -1.605 -6.348 3.983 1.00 0.00 C ATOM 1909 O PHE A 117 -2.478 -5.597 4.418 1.00 0.00 O ATOM 1910 CB PHE A 117 0.658 -5.556 3.287 1.00 0.00 C ATOM 1911 CG PHE A 117 0.270 -4.139 3.004 1.00 0.00 C ATOM 1912 CD1 PHE A 117 0.268 -3.201 4.019 1.00 0.00 C ATOM 1913 CD2 PHE A 117 -0.095 -3.748 1.729 1.00 0.00 C ATOM 1914 CE1 PHE A 117 -0.093 -1.891 3.768 1.00 0.00 C ATOM 1915 CE2 PHE A 117 -0.457 -2.441 1.469 1.00 0.00 C ATOM 1916 CZ PHE A 117 -0.456 -1.510 2.491 1.00 0.00 C ATOM 0 H PHE A 117 1.308 -7.679 4.305 1.00 0.00 H new ATOM 0 HA PHE A 117 -0.134 -5.537 5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 117 1.717 -5.592 3.542 1.00 0.00 H new ATOM 0 HB3 PHE A 117 0.528 -6.149 2.382 1.00 0.00 H new ATOM 0 HD1 PHE A 117 0.552 -3.495 5.019 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -0.097 -4.472 0.928 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -0.091 -1.166 4.569 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -0.740 -2.147 0.469 1.00 0.00 H new ATOM 0 HZ PHE A 117 -0.738 -0.487 2.291 1.00 0.00 H new ATOM 1926 N LEU A 118 -1.858 -7.322 3.115 1.00 0.00 N ATOM 1927 CA LEU A 118 -3.209 -7.565 2.618 1.00 0.00 C ATOM 1928 C LEU A 118 -3.835 -8.794 3.272 1.00 0.00 C ATOM 1929 O LEU A 118 -4.798 -9.359 2.752 1.00 0.00 O ATOM 1930 CB LEU A 118 -3.193 -7.741 1.096 1.00 0.00 C ATOM 1931 CG LEU A 118 -2.721 -6.525 0.285 1.00 0.00 C ATOM 1932 CD1 LEU A 118 -3.487 -6.439 -1.026 1.00 0.00 C ATOM 1933 CD2 LEU A 118 -2.882 -5.234 1.077 1.00 0.00 C ATOM 0 H LEU A 118 -1.149 -7.954 2.742 1.00 0.00 H new ATOM 0 HA LEU A 118 -3.815 -6.697 2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.549 -8.587 0.854 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -4.199 -8.003 0.769 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.660 -6.655 0.070 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -3.144 -5.573 -1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -3.315 -7.344 -1.608 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -4.552 -6.338 -0.819 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -2.539 -4.393 0.475 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -3.932 -5.093 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -2.290 -5.291 1.991 1.00 0.00 H new ATOM 1945 N GLN A 119 -3.289 -9.207 4.413 1.00 0.00 N ATOM 1946 CA GLN A 119 -3.804 -10.369 5.124 1.00 0.00 C ATOM 1947 C GLN A 119 -3.790 -11.603 4.226 1.00 0.00 C ATOM 1948 O GLN A 119 -4.747 -12.375 4.197 1.00 0.00 O ATOM 1949 CB GLN A 119 -5.228 -10.100 5.619 1.00 0.00 C ATOM 1950 CG GLN A 119 -5.358 -8.820 6.427 1.00 0.00 C ATOM 1951 CD GLN A 119 -6.607 -8.799 7.287 1.00 0.00 C ATOM 1952 OE1 GLN A 119 -6.639 -9.380 8.372 1.00 0.00 O ATOM 1953 NE2 GLN A 119 -7.646 -8.127 6.804 1.00 0.00 N ATOM 0 H GLN A 119 -2.493 -8.755 4.862 1.00 0.00 H new ATOM 0 HA GLN A 119 -3.158 -10.557 5.982 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -5.898 -10.048 4.761 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -5.556 -10.941 6.230 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -4.481 -8.706 7.064 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -5.373 -7.967 5.749 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -7.576 -7.660 5.900 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -8.514 -8.078 7.337 1.00 0.00 H new ATOM 1962 N LEU A 120 -2.694 -11.780 3.495 1.00 0.00 N ATOM 1963 CA LEU A 120 -2.550 -12.917 2.594 1.00 0.00 C ATOM 1964 C LEU A 120 -1.977 -14.129 3.326 1.00 0.00 C ATOM 1965 O LEU A 120 -1.153 -14.865 2.781 1.00 0.00 O ATOM 1966 CB LEU A 120 -1.651 -12.542 1.413 1.00 0.00 C ATOM 1967 CG LEU A 120 -1.866 -11.129 0.864 1.00 0.00 C ATOM 1968 CD1 LEU A 120 -0.636 -10.649 0.107 1.00 0.00 C ATOM 1969 CD2 LEU A 120 -3.097 -11.090 -0.028 1.00 0.00 C ATOM 0 H LEU A 120 -1.892 -11.150 3.509 1.00 0.00 H new ATOM 0 HA LEU A 120 -3.539 -13.182 2.221 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -0.610 -12.642 1.721 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.816 -13.258 0.608 1.00 0.00 H new ATOM 0 HG LEU A 120 -2.027 -10.454 1.705 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -0.813 -9.643 -0.274 1.00 0.00 H new ATOM 0 HD12 LEU A 120 0.223 -10.637 0.778 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -0.436 -11.322 -0.727 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.237 -10.079 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.964 -11.779 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.974 -11.384 0.549 1.00 0.00 H new