USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 591 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 30 THR OG1 : rot 180:sc= -0.904 USER MOD Set 1.2: A 33 ASN : amide:sc= 0.364 K(o=-0.54,f=-5.9!) USER MOD Single : A 8 SER OG : rot -22:sc= 0.199 USER MOD Single : A 9 MET CE :methyl -120:sc= -0.418 (180deg=-3.95!) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.0086) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot -79:sc= -0.0315 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.00712) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00735) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.0386 K(o=-0.039,f=-1.5) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc= -2.55 K(o=-2.6,f=-3.4!) USER MOD Single : A 49 GLN : amide:sc= -1.52 K(o=-1.5,f=-5.2!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 63 THR OG1 : rot 41:sc= 0.725 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot -141:sc= 0.526 USER MOD Single : A 68 ASN : amide:sc= -0.0691 K(o=-0.069,f=-2.2!) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 LYS NZ :NH3+ -167:sc= -0.0034 (180deg=-0.158) USER MOD Single : A 73 SER OG : rot -130:sc= 0.322 USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.507 10.175 -15.956 1.00 0.00 N ATOM 100 CA SER A 8 -5.445 11.031 -15.239 1.00 0.00 C ATOM 101 C SER A 8 -6.526 11.558 -16.178 1.00 0.00 C ATOM 102 O SER A 8 -6.316 11.662 -17.387 1.00 0.00 O ATOM 103 CB SER A 8 -4.705 12.201 -14.587 1.00 0.00 C ATOM 104 OG SER A 8 -3.851 12.845 -15.516 1.00 0.00 O ATOM 0 HA SER A 8 -5.922 10.434 -14.462 1.00 0.00 H new ATOM 0 HB2 SER A 8 -5.426 12.918 -14.194 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.121 11.840 -13.741 1.00 0.00 H new ATOM 0 HG SER A 8 -3.639 12.228 -16.247 1.00 0.00 H new ATOM 110 N MET A 9 -7.682 11.888 -15.613 1.00 0.00 N ATOM 111 CA MET A 9 -8.797 12.405 -16.399 1.00 0.00 C ATOM 112 C MET A 9 -9.748 13.217 -15.525 1.00 0.00 C ATOM 113 O MET A 9 -10.109 12.794 -14.428 1.00 0.00 O ATOM 114 CB MET A 9 -9.554 11.256 -17.067 1.00 0.00 C ATOM 115 CG MET A 9 -10.990 11.603 -17.425 1.00 0.00 C ATOM 116 SD MET A 9 -11.637 10.584 -18.766 1.00 0.00 S ATOM 117 CE MET A 9 -10.726 11.242 -20.161 1.00 0.00 C ATOM 0 H MET A 9 -7.872 11.807 -14.614 1.00 0.00 H new ATOM 0 HA MET A 9 -8.392 13.060 -17.170 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.024 10.960 -17.972 1.00 0.00 H new ATOM 0 HB3 MET A 9 -9.552 10.394 -16.400 1.00 0.00 H new ATOM 0 HG2 MET A 9 -11.620 11.480 -16.544 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.045 12.653 -17.712 1.00 0.00 H new ATOM 0 HE1 MET A 9 -11.425 11.640 -20.897 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.065 12.039 -19.821 1.00 0.00 H new ATOM 0 HE3 MET A 9 -10.133 10.448 -20.615 1.00 0.00 H new ATOM 127 N GLN A 10 -10.148 14.384 -16.020 1.00 0.00 N ATOM 128 CA GLN A 10 -11.056 15.254 -15.282 1.00 0.00 C ATOM 129 C GLN A 10 -12.486 15.108 -15.794 1.00 0.00 C ATOM 130 O GLN A 10 -12.736 15.196 -16.997 1.00 0.00 O ATOM 131 CB GLN A 10 -10.606 16.711 -15.398 1.00 0.00 C ATOM 132 CG GLN A 10 -9.630 17.135 -14.313 1.00 0.00 C ATOM 133 CD GLN A 10 -8.692 18.235 -14.769 1.00 0.00 C ATOM 134 OE1 GLN A 10 -7.880 18.039 -15.673 1.00 0.00 O ATOM 135 NE2 GLN A 10 -8.799 19.402 -14.143 1.00 0.00 N ATOM 0 H GLN A 10 -9.858 14.748 -16.928 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.033 14.957 -14.234 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -10.141 16.862 -16.372 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -11.483 17.357 -15.359 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -10.188 17.477 -13.441 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -9.045 16.271 -13.998 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.486 19.520 -13.399 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.194 20.180 -14.407 1.00 0.00 H new ATOM 144 N ILE A 11 -13.418 14.886 -14.875 1.00 0.00 N ATOM 145 CA ILE A 11 -14.822 14.729 -15.234 1.00 0.00 C ATOM 146 C ILE A 11 -15.709 15.650 -14.402 1.00 0.00 C ATOM 147 O ILE A 11 -15.269 16.213 -13.399 1.00 0.00 O ATOM 148 CB ILE A 11 -15.293 13.275 -15.045 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.299 12.906 -13.560 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.401 12.324 -15.829 1.00 0.00 C ATOM 151 CD1 ILE A 11 -15.757 11.490 -13.291 1.00 0.00 C ATOM 0 H ILE A 11 -13.227 14.811 -13.876 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.909 14.997 -16.287 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.310 13.186 -15.426 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.295 13.037 -13.157 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -15.950 13.598 -13.025 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.746 11.300 -15.686 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.443 12.576 -16.889 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.374 12.414 -15.475 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -15.736 11.298 -12.218 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -16.773 11.359 -13.663 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.092 10.790 -13.798 1.00 0.00 H new ATOM 163 N PHE A 12 -16.960 15.798 -14.824 1.00 0.00 N ATOM 164 CA PHE A 12 -17.910 16.650 -14.118 1.00 0.00 C ATOM 165 C PHE A 12 -19.010 15.816 -13.469 1.00 0.00 C ATOM 166 O PHE A 12 -19.650 14.994 -14.125 1.00 0.00 O ATOM 167 CB PHE A 12 -18.526 17.669 -15.079 1.00 0.00 C ATOM 168 CG PHE A 12 -17.551 18.706 -15.558 1.00 0.00 C ATOM 169 CD1 PHE A 12 -17.020 19.636 -14.678 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.165 18.752 -16.888 1.00 0.00 C ATOM 171 CE1 PHE A 12 -16.124 20.592 -15.117 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.269 19.705 -17.333 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.747 20.626 -16.445 1.00 0.00 C ATOM 0 H PHE A 12 -17.340 15.339 -15.652 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.371 17.181 -13.334 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.936 17.142 -15.940 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.359 18.167 -14.583 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.310 19.613 -13.638 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.570 18.034 -17.586 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.719 21.312 -14.422 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -15.977 19.730 -18.373 1.00 0.00 H new ATOM 0 HZ PHE A 12 -15.045 21.371 -16.789 1.00 0.00 H new ATOM 183 N VAL A 13 -19.225 16.034 -12.175 1.00 0.00 N ATOM 184 CA VAL A 13 -20.248 15.304 -11.436 1.00 0.00 C ATOM 185 C VAL A 13 -21.172 16.258 -10.688 1.00 0.00 C ATOM 186 O VAL A 13 -20.724 17.249 -10.111 1.00 0.00 O ATOM 187 CB VAL A 13 -19.619 14.321 -10.430 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.698 13.492 -9.749 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.605 13.424 -11.125 1.00 0.00 C ATOM 0 H VAL A 13 -18.704 16.711 -11.617 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.827 14.742 -12.168 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.097 14.895 -9.664 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.236 12.803 -9.042 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.383 14.152 -9.217 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.250 12.926 -10.499 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.170 12.736 -10.400 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.101 12.856 -11.912 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.816 14.037 -11.562 1.00 0.00 H new ATOM 199 N LYS A 14 -22.465 15.953 -10.701 1.00 0.00 N ATOM 200 CA LYS A 14 -23.454 16.781 -10.022 1.00 0.00 C ATOM 201 C LYS A 14 -23.832 16.181 -8.672 1.00 0.00 C ATOM 202 O LYS A 14 -24.298 15.044 -8.594 1.00 0.00 O ATOM 203 CB LYS A 14 -24.704 16.935 -10.892 1.00 0.00 C ATOM 204 CG LYS A 14 -24.612 18.073 -11.893 1.00 0.00 C ATOM 205 CD LYS A 14 -24.007 17.612 -13.208 1.00 0.00 C ATOM 206 CE LYS A 14 -23.619 18.791 -14.088 1.00 0.00 C ATOM 207 NZ LYS A 14 -24.773 19.291 -14.885 1.00 0.00 N ATOM 0 H LYS A 14 -22.853 15.137 -11.175 1.00 0.00 H new ATOM 0 HA LYS A 14 -23.014 17.763 -9.852 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.879 16.003 -11.429 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.567 17.099 -10.247 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.606 18.482 -12.073 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -24.007 18.878 -11.476 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -23.127 17.000 -13.010 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.722 16.982 -13.737 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -23.231 19.597 -13.465 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -22.815 18.493 -14.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -24.468 20.094 -15.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -25.127 18.529 -15.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -25.531 19.599 -14.243 1.00 0.00 H new ATOM 221 N THR A 15 -23.629 16.954 -7.608 1.00 0.00 N ATOM 222 CA THR A 15 -23.950 16.499 -6.261 1.00 0.00 C ATOM 223 C THR A 15 -25.449 16.578 -5.996 1.00 0.00 C ATOM 224 O THR A 15 -26.188 17.226 -6.739 1.00 0.00 O ATOM 225 CB THR A 15 -23.206 17.328 -5.197 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.461 18.723 -5.397 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.709 17.067 -5.256 1.00 0.00 C ATOM 0 H THR A 15 -23.244 17.897 -7.654 1.00 0.00 H new ATOM 0 HA THR A 15 -23.627 15.460 -6.192 1.00 0.00 H new ATOM 0 HB THR A 15 -23.572 17.029 -4.215 1.00 0.00 H new ATOM 0 HG1 THR A 15 -22.904 19.055 -6.131 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.205 17.664 -4.495 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.517 16.010 -5.074 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.331 17.340 -6.241 1.00 0.00 H new ATOM 235 N LEU A 16 -25.892 15.917 -4.932 1.00 0.00 N ATOM 236 CA LEU A 16 -27.305 15.914 -4.568 1.00 0.00 C ATOM 237 C LEU A 16 -27.801 17.331 -4.300 1.00 0.00 C ATOM 238 O LEU A 16 -28.973 17.641 -4.515 1.00 0.00 O ATOM 239 CB LEU A 16 -27.531 15.039 -3.333 1.00 0.00 C ATOM 240 CG LEU A 16 -26.746 15.431 -2.081 1.00 0.00 C ATOM 241 CD1 LEU A 16 -27.642 15.380 -0.852 1.00 0.00 C ATOM 242 CD2 LEU A 16 -25.539 14.522 -1.901 1.00 0.00 C ATOM 0 H LEU A 16 -25.294 15.377 -4.307 1.00 0.00 H new ATOM 0 HA LEU A 16 -27.870 15.504 -5.405 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -28.594 15.054 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.277 14.010 -3.590 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.390 16.454 -2.204 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.067 15.662 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.474 16.073 -0.979 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.028 14.369 -0.725 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -24.992 14.816 -1.005 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -25.873 13.489 -1.800 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -24.886 14.609 -2.769 1.00 0.00 H new ATOM 254 N THR A 17 -26.901 18.189 -3.830 1.00 0.00 N ATOM 255 CA THR A 17 -27.246 19.573 -3.534 1.00 0.00 C ATOM 256 C THR A 17 -27.411 20.385 -4.813 1.00 0.00 C ATOM 257 O THR A 17 -28.107 21.399 -4.832 1.00 0.00 O ATOM 258 CB THR A 17 -26.178 20.242 -2.649 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.568 21.585 -2.340 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.825 20.249 -3.345 1.00 0.00 C ATOM 0 H THR A 17 -25.927 17.949 -3.646 1.00 0.00 H new ATOM 0 HA THR A 17 -28.193 19.553 -2.995 1.00 0.00 H new ATOM 0 HB THR A 17 -26.091 19.668 -1.726 1.00 0.00 H new ATOM 0 HG1 THR A 17 -25.884 22.003 -1.776 1.00 0.00 H new ATOM 0 HG21 THR A 17 -24.087 20.727 -2.701 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.517 19.224 -3.552 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.900 20.801 -4.282 1.00 0.00 H new ATOM 268 N GLY A 18 -26.765 19.932 -5.884 1.00 0.00 N ATOM 269 CA GLY A 18 -26.854 20.628 -7.154 1.00 0.00 C ATOM 270 C GLY A 18 -25.581 21.379 -7.493 1.00 0.00 C ATOM 271 O GLY A 18 -25.598 22.317 -8.290 1.00 0.00 O ATOM 0 H GLY A 18 -26.182 19.095 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.070 19.909 -7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.689 21.329 -7.123 1.00 0.00 H new ATOM 275 N LYS A 19 -24.473 20.967 -6.886 1.00 0.00 N ATOM 276 CA LYS A 19 -23.185 21.606 -7.127 1.00 0.00 C ATOM 277 C LYS A 19 -22.302 20.732 -8.013 1.00 0.00 C ATOM 278 O LYS A 19 -22.159 19.532 -7.775 1.00 0.00 O ATOM 279 CB LYS A 19 -22.476 21.887 -5.801 1.00 0.00 C ATOM 280 CG LYS A 19 -21.036 22.341 -5.965 1.00 0.00 C ATOM 281 CD LYS A 19 -20.071 21.168 -5.905 1.00 0.00 C ATOM 282 CE LYS A 19 -19.526 20.967 -4.500 1.00 0.00 C ATOM 283 NZ LYS A 19 -18.479 21.970 -4.162 1.00 0.00 N ATOM 0 H LYS A 19 -24.441 20.193 -6.223 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.366 22.550 -7.642 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -23.030 22.653 -5.258 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.496 20.985 -5.190 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.923 22.858 -6.918 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.788 23.058 -5.182 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.578 20.261 -6.233 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.245 21.339 -6.596 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -20.342 21.037 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.109 19.964 -4.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -18.062 21.738 -3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.737 21.956 -4.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -18.906 22.917 -4.121 1.00 0.00 H new ATOM 297 N THR A 20 -21.709 21.342 -9.034 1.00 0.00 N ATOM 298 CA THR A 20 -20.839 20.620 -9.955 1.00 0.00 C ATOM 299 C THR A 20 -19.396 20.623 -9.463 1.00 0.00 C ATOM 300 O THR A 20 -18.781 21.680 -9.319 1.00 0.00 O ATOM 301 CB THR A 20 -20.889 21.229 -11.369 1.00 0.00 C ATOM 302 OG1 THR A 20 -22.219 21.667 -11.667 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.437 20.216 -12.410 1.00 0.00 C ATOM 0 H THR A 20 -21.815 22.334 -9.244 1.00 0.00 H new ATOM 0 HA THR A 20 -21.204 19.594 -9.997 1.00 0.00 H new ATOM 0 HB THR A 20 -20.212 22.083 -11.398 1.00 0.00 H new ATOM 0 HG1 THR A 20 -22.242 22.054 -12.567 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.481 20.668 -13.401 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.414 19.907 -12.197 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.092 19.346 -12.379 1.00 0.00 H new ATOM 311 N ILE A 21 -18.861 19.433 -9.209 1.00 0.00 N ATOM 312 CA ILE A 21 -17.489 19.299 -8.735 1.00 0.00 C ATOM 313 C ILE A 21 -16.661 18.438 -9.683 1.00 0.00 C ATOM 314 O ILE A 21 -17.104 17.375 -10.121 1.00 0.00 O ATOM 315 CB ILE A 21 -17.438 18.684 -7.324 1.00 0.00 C ATOM 316 CG1 ILE A 21 -15.987 18.442 -6.902 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.231 17.386 -7.283 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.503 17.036 -7.181 1.00 0.00 C ATOM 0 H ILE A 21 -19.356 18.549 -9.323 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.068 20.304 -8.700 1.00 0.00 H new ATOM 0 HB ILE A 21 -17.889 19.385 -6.621 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.343 19.150 -7.424 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -15.888 18.647 -5.836 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.185 16.963 -6.279 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.270 17.586 -7.546 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -17.807 16.678 -7.994 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.467 16.937 -6.857 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.123 16.323 -6.638 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.569 16.834 -8.250 1.00 0.00 H new ATOM 330 N THR A 22 -15.456 18.903 -9.997 1.00 0.00 N ATOM 331 CA THR A 22 -14.566 18.175 -10.893 1.00 0.00 C ATOM 332 C THR A 22 -13.813 17.078 -10.149 1.00 0.00 C ATOM 333 O THR A 22 -13.187 17.329 -9.118 1.00 0.00 O ATOM 334 CB THR A 22 -13.547 19.118 -11.561 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.143 20.400 -11.789 1.00 0.00 O ATOM 336 CG2 THR A 22 -13.057 18.539 -12.879 1.00 0.00 C ATOM 0 H THR A 22 -15.074 19.780 -9.644 1.00 0.00 H new ATOM 0 HA THR A 22 -15.193 17.724 -11.663 1.00 0.00 H new ATOM 0 HB THR A 22 -12.694 19.228 -10.892 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.489 20.994 -12.212 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.339 19.222 -13.332 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.578 17.577 -12.698 1.00 0.00 H new ATOM 0 HG23 THR A 22 -13.903 18.402 -13.553 1.00 0.00 H new ATOM 344 N LEU A 23 -13.877 15.861 -10.676 1.00 0.00 N ATOM 345 CA LEU A 23 -13.201 14.724 -10.062 1.00 0.00 C ATOM 346 C LEU A 23 -12.148 14.144 -11.001 1.00 0.00 C ATOM 347 O LEU A 23 -12.339 14.108 -12.216 1.00 0.00 O ATOM 348 CB LEU A 23 -14.216 13.643 -9.687 1.00 0.00 C ATOM 349 CG LEU A 23 -13.831 12.737 -8.516 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.607 13.559 -7.256 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.902 11.682 -8.283 1.00 0.00 C ATOM 0 H LEU A 23 -14.391 15.636 -11.528 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.702 15.075 -9.159 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.162 14.129 -9.449 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.390 13.017 -10.562 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.899 12.230 -8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.334 12.898 -6.434 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -12.804 14.276 -7.427 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.522 14.094 -7.003 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.611 11.047 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.850 12.170 -8.056 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -15.013 11.072 -9.180 1.00 0.00 H new ATOM 363 N GLU A 24 -11.037 13.690 -10.428 1.00 0.00 N ATOM 364 CA GLU A 24 -9.954 13.111 -11.215 1.00 0.00 C ATOM 365 C GLU A 24 -9.972 11.588 -11.127 1.00 0.00 C ATOM 366 O GLU A 24 -9.951 11.018 -10.036 1.00 0.00 O ATOM 367 CB GLU A 24 -8.603 13.645 -10.735 1.00 0.00 C ATOM 368 CG GLU A 24 -7.433 12.741 -11.084 1.00 0.00 C ATOM 369 CD GLU A 24 -6.155 13.516 -11.342 1.00 0.00 C ATOM 370 OE1 GLU A 24 -6.236 14.625 -11.908 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.072 13.011 -10.976 1.00 0.00 O ATOM 0 H GLU A 24 -10.864 13.712 -9.423 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.101 13.399 -12.256 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.434 14.629 -11.173 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.638 13.779 -9.654 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.268 12.036 -10.270 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.683 12.154 -11.968 1.00 0.00 H new ATOM 378 N VAL A 25 -10.012 10.934 -12.284 1.00 0.00 N ATOM 379 CA VAL A 25 -10.032 9.478 -12.338 1.00 0.00 C ATOM 380 C VAL A 25 -9.203 8.960 -13.508 1.00 0.00 C ATOM 381 O VAL A 25 -8.748 9.735 -14.349 1.00 0.00 O ATOM 382 CB VAL A 25 -11.470 8.940 -12.465 1.00 0.00 C ATOM 383 CG1 VAL A 25 -11.615 7.621 -11.722 1.00 0.00 C ATOM 384 CG2 VAL A 25 -12.469 9.965 -11.949 1.00 0.00 C ATOM 0 H VAL A 25 -10.031 11.390 -13.196 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.600 9.121 -11.403 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.680 8.760 -13.519 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -12.637 7.257 -11.823 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -10.926 6.889 -12.143 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -11.386 7.771 -10.667 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -13.480 9.569 -12.046 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -12.262 10.179 -10.900 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -12.382 10.883 -12.530 1.00 0.00 H new ATOM 394 N GLU A 26 -9.010 7.646 -13.555 1.00 0.00 N ATOM 395 CA GLU A 26 -8.235 7.025 -14.623 1.00 0.00 C ATOM 396 C GLU A 26 -9.150 6.323 -15.622 1.00 0.00 C ATOM 397 O GLU A 26 -10.292 5.976 -15.319 1.00 0.00 O ATOM 398 CB GLU A 26 -7.234 6.025 -14.041 1.00 0.00 C ATOM 399 CG GLU A 26 -5.991 6.676 -13.458 1.00 0.00 C ATOM 400 CD GLU A 26 -4.714 6.185 -14.111 1.00 0.00 C ATOM 401 OE1 GLU A 26 -4.672 5.007 -14.523 1.00 0.00 O ATOM 402 OE2 GLU A 26 -3.756 6.980 -14.211 1.00 0.00 O ATOM 0 H GLU A 26 -9.379 6.991 -12.866 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.690 7.811 -15.146 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.727 5.442 -13.263 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.935 5.326 -14.823 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.062 7.757 -13.576 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.948 6.474 -12.388 1.00 0.00 H new ATOM 409 N PRO A 27 -8.638 6.108 -16.843 1.00 0.00 N ATOM 410 CA PRO A 27 -9.391 5.446 -17.912 1.00 0.00 C ATOM 411 C PRO A 27 -9.608 3.963 -17.635 1.00 0.00 C ATOM 412 O PRO A 27 -10.457 3.323 -18.257 1.00 0.00 O ATOM 413 CB PRO A 27 -8.501 5.636 -19.143 1.00 0.00 C ATOM 414 CG PRO A 27 -7.125 5.795 -18.594 1.00 0.00 C ATOM 415 CD PRO A 27 -7.284 6.495 -17.273 1.00 0.00 C ATOM 0 HA PRO A 27 -10.392 5.863 -18.024 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -8.563 4.778 -19.813 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.802 6.512 -19.718 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.641 4.826 -18.467 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -6.500 6.377 -19.271 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.528 6.176 -16.556 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.189 7.576 -17.377 1.00 0.00 H new ATOM 423 N SER A 28 -8.836 3.421 -16.698 1.00 0.00 N ATOM 424 CA SER A 28 -8.942 2.011 -16.342 1.00 0.00 C ATOM 425 C SER A 28 -9.556 1.846 -14.955 1.00 0.00 C ATOM 426 O SER A 28 -9.932 0.743 -14.557 1.00 0.00 O ATOM 427 CB SER A 28 -7.564 1.347 -16.384 1.00 0.00 C ATOM 428 OG SER A 28 -6.598 2.214 -16.952 1.00 0.00 O ATOM 0 H SER A 28 -8.131 3.937 -16.172 1.00 0.00 H new ATOM 0 HA SER A 28 -9.593 1.526 -17.069 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.260 1.069 -15.375 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.618 0.427 -16.965 1.00 0.00 H new ATOM 0 HG SER A 28 -5.726 1.768 -16.966 1.00 0.00 H new ATOM 434 N ASP A 29 -9.655 2.951 -14.224 1.00 0.00 N ATOM 435 CA ASP A 29 -10.224 2.931 -12.881 1.00 0.00 C ATOM 436 C ASP A 29 -11.687 2.499 -12.918 1.00 0.00 C ATOM 437 O ASP A 29 -12.454 2.934 -13.778 1.00 0.00 O ATOM 438 CB ASP A 29 -10.103 4.311 -12.232 1.00 0.00 C ATOM 439 CG ASP A 29 -8.896 4.419 -11.321 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.970 3.594 -11.465 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.879 5.327 -10.464 1.00 0.00 O ATOM 0 H ASP A 29 -9.349 3.872 -14.539 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.665 2.209 -12.286 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.036 5.071 -13.011 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -11.007 4.520 -11.659 1.00 0.00 H new ATOM 446 N THR A 30 -12.068 1.638 -11.979 1.00 0.00 N ATOM 447 CA THR A 30 -13.437 1.145 -11.904 1.00 0.00 C ATOM 448 C THR A 30 -14.330 2.115 -11.139 1.00 0.00 C ATOM 449 O THR A 30 -13.850 3.086 -10.554 1.00 0.00 O ATOM 450 CB THR A 30 -13.501 -0.237 -11.226 1.00 0.00 C ATOM 451 OG1 THR A 30 -12.502 -0.327 -10.204 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.294 -1.349 -12.244 1.00 0.00 C ATOM 0 H THR A 30 -11.447 1.268 -11.260 1.00 0.00 H new ATOM 0 HA THR A 30 -13.796 1.056 -12.929 1.00 0.00 H new ATOM 0 HB THR A 30 -14.489 -0.354 -10.780 1.00 0.00 H new ATOM 0 HG1 THR A 30 -12.550 -1.208 -9.776 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.343 -2.315 -11.742 1.00 0.00 H new ATOM 0 HG22 THR A 30 -14.072 -1.295 -13.005 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.318 -1.234 -12.715 1.00 0.00 H new ATOM 460 N ILE A 31 -15.632 1.846 -11.148 1.00 0.00 N ATOM 461 CA ILE A 31 -16.591 2.695 -10.452 1.00 0.00 C ATOM 462 C ILE A 31 -16.186 2.905 -8.997 1.00 0.00 C ATOM 463 O ILE A 31 -16.413 3.972 -8.428 1.00 0.00 O ATOM 464 CB ILE A 31 -18.009 2.096 -10.498 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.467 1.921 -11.947 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.982 2.980 -9.732 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.463 3.208 -12.742 1.00 0.00 C ATOM 0 H ILE A 31 -16.046 1.048 -11.629 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.594 3.656 -10.967 1.00 0.00 H new ATOM 0 HB ILE A 31 -17.988 1.115 -10.023 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.818 1.197 -12.440 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.474 1.503 -11.953 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.980 2.544 -9.773 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.663 3.057 -8.693 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -19.001 3.973 -10.180 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.799 3.008 -13.760 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -19.134 3.927 -12.273 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.453 3.617 -12.767 1.00 0.00 H new ATOM 479 N GLU A 32 -15.583 1.881 -8.403 1.00 0.00 N ATOM 480 CA GLU A 32 -15.145 1.954 -7.014 1.00 0.00 C ATOM 481 C GLU A 32 -14.119 3.067 -6.825 1.00 0.00 C ATOM 482 O GLU A 32 -14.064 3.704 -5.774 1.00 0.00 O ATOM 483 CB GLU A 32 -14.550 0.616 -6.572 1.00 0.00 C ATOM 484 CG GLU A 32 -13.475 0.089 -7.508 1.00 0.00 C ATOM 485 CD GLU A 32 -12.668 -1.038 -6.893 1.00 0.00 C ATOM 486 OE1 GLU A 32 -13.282 -2.018 -6.421 1.00 0.00 O ATOM 487 OE2 GLU A 32 -11.423 -0.940 -6.884 1.00 0.00 O ATOM 0 H GLU A 32 -15.386 0.991 -8.861 1.00 0.00 H new ATOM 0 HA GLU A 32 -16.015 2.177 -6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -14.127 0.728 -5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -15.350 -0.121 -6.499 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.941 -0.263 -8.429 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.805 0.904 -7.781 1.00 0.00 H new ATOM 494 N ASN A 33 -13.306 3.295 -7.852 1.00 0.00 N ATOM 495 CA ASN A 33 -12.280 4.330 -7.800 1.00 0.00 C ATOM 496 C ASN A 33 -12.899 5.717 -7.937 1.00 0.00 C ATOM 497 O ASN A 33 -12.556 6.638 -7.194 1.00 0.00 O ATOM 498 CB ASN A 33 -11.247 4.109 -8.907 1.00 0.00 C ATOM 499 CG ASN A 33 -10.458 2.828 -8.714 1.00 0.00 C ATOM 500 OD1 ASN A 33 -10.575 1.889 -9.502 1.00 0.00 O ATOM 501 ND2 ASN A 33 -9.649 2.785 -7.662 1.00 0.00 N ATOM 0 H ASN A 33 -13.338 2.777 -8.730 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.784 4.267 -6.831 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.753 4.079 -9.872 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -10.560 4.955 -8.934 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -9.093 1.950 -7.480 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.584 3.587 -7.035 1.00 0.00 H new ATOM 508 N VAL A 34 -13.814 5.860 -8.890 1.00 0.00 N ATOM 509 CA VAL A 34 -14.483 7.134 -9.124 1.00 0.00 C ATOM 510 C VAL A 34 -15.096 7.677 -7.838 1.00 0.00 C ATOM 511 O VAL A 34 -14.962 8.860 -7.523 1.00 0.00 O ATOM 512 CB VAL A 34 -15.587 7.002 -10.190 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.289 8.335 -10.400 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.005 6.485 -11.497 1.00 0.00 C ATOM 0 H VAL A 34 -14.109 5.108 -9.513 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.723 7.828 -9.483 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.325 6.282 -9.837 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.066 8.222 -11.157 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.740 8.660 -9.463 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.565 9.079 -10.732 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.798 6.398 -12.239 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.246 7.179 -11.857 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.553 5.507 -11.332 1.00 0.00 H new ATOM 524 N LYS A 35 -15.769 6.804 -7.096 1.00 0.00 N ATOM 525 CA LYS A 35 -16.403 7.194 -5.842 1.00 0.00 C ATOM 526 C LYS A 35 -15.359 7.419 -4.752 1.00 0.00 C ATOM 527 O LYS A 35 -15.572 8.205 -3.829 1.00 0.00 O ATOM 528 CB LYS A 35 -17.399 6.121 -5.395 1.00 0.00 C ATOM 529 CG LYS A 35 -16.768 4.755 -5.186 1.00 0.00 C ATOM 530 CD LYS A 35 -17.685 3.832 -4.401 1.00 0.00 C ATOM 531 CE LYS A 35 -16.899 2.748 -3.680 1.00 0.00 C ATOM 532 NZ LYS A 35 -16.426 3.202 -2.343 1.00 0.00 N ATOM 0 H LYS A 35 -15.889 5.821 -7.341 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.937 8.130 -6.009 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.871 6.440 -4.466 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -18.189 6.037 -6.141 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.540 4.307 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.822 4.867 -4.656 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -18.254 4.413 -3.676 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -18.406 3.372 -5.077 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -17.524 1.863 -3.563 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.043 2.455 -4.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.924 2.424 -1.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -15.782 4.010 -2.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -17.242 3.490 -1.765 1.00 0.00 H new ATOM 546 N ALA A 36 -14.231 6.726 -4.867 1.00 0.00 N ATOM 547 CA ALA A 36 -13.154 6.853 -3.893 1.00 0.00 C ATOM 548 C ALA A 36 -12.716 8.306 -3.747 1.00 0.00 C ATOM 549 O ALA A 36 -12.400 8.763 -2.648 1.00 0.00 O ATOM 550 CB ALA A 36 -11.973 5.982 -4.296 1.00 0.00 C ATOM 0 H ALA A 36 -14.039 6.071 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 36 -13.528 6.514 -2.927 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.176 6.086 -3.560 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -12.289 4.940 -4.343 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.607 6.295 -5.274 1.00 0.00 H new ATOM 556 N LYS A 37 -12.698 9.029 -4.861 1.00 0.00 N ATOM 557 CA LYS A 37 -12.299 10.432 -4.858 1.00 0.00 C ATOM 558 C LYS A 37 -13.373 11.301 -4.212 1.00 0.00 C ATOM 559 O LYS A 37 -13.072 12.337 -3.618 1.00 0.00 O ATOM 560 CB LYS A 37 -12.030 10.911 -6.286 1.00 0.00 C ATOM 561 CG LYS A 37 -10.873 10.195 -6.960 1.00 0.00 C ATOM 562 CD LYS A 37 -9.535 10.638 -6.391 1.00 0.00 C ATOM 563 CE LYS A 37 -9.040 11.911 -7.061 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.057 12.638 -6.210 1.00 0.00 N ATOM 0 H LYS A 37 -12.955 8.666 -5.779 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.383 10.522 -4.274 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.931 10.770 -6.883 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.823 11.981 -6.268 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.986 9.119 -6.831 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -10.897 10.392 -8.032 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.631 10.804 -5.318 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.800 9.845 -6.526 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.579 11.663 -8.017 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.887 12.562 -7.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.743 13.500 -6.701 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.504 12.897 -5.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.237 12.026 -6.027 1.00 0.00 H new ATOM 578 N ILE A 38 -14.625 10.873 -4.332 1.00 0.00 N ATOM 579 CA ILE A 38 -15.743 11.612 -3.758 1.00 0.00 C ATOM 580 C ILE A 38 -15.608 11.722 -2.243 1.00 0.00 C ATOM 581 O ILE A 38 -16.064 12.694 -1.640 1.00 0.00 O ATOM 582 CB ILE A 38 -17.090 10.946 -4.095 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.295 10.898 -5.611 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.233 11.694 -3.424 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.309 12.263 -6.262 1.00 0.00 C ATOM 0 H ILE A 38 -14.891 10.018 -4.821 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.721 12.610 -4.196 1.00 0.00 H new ATOM 0 HB ILE A 38 -17.078 9.924 -3.716 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.501 10.299 -6.058 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -18.236 10.392 -5.826 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.179 11.211 -3.672 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.091 11.682 -2.343 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.249 12.726 -3.776 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.458 12.152 -7.336 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.120 12.858 -5.842 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.359 12.764 -6.078 1.00 0.00 H new ATOM 597 N GLN A 39 -14.979 10.722 -1.636 1.00 0.00 N ATOM 598 CA GLN A 39 -14.783 10.708 -0.191 1.00 0.00 C ATOM 599 C GLN A 39 -14.094 11.985 0.277 1.00 0.00 C ATOM 600 O GLN A 39 -14.366 12.485 1.369 1.00 0.00 O ATOM 601 CB GLN A 39 -13.957 9.488 0.221 1.00 0.00 C ATOM 602 CG GLN A 39 -14.485 8.178 -0.341 1.00 0.00 C ATOM 603 CD GLN A 39 -13.898 6.966 0.355 1.00 0.00 C ATOM 604 OE1 GLN A 39 -13.147 7.094 1.322 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.238 5.779 -0.135 1.00 0.00 N ATOM 0 H GLN A 39 -14.596 9.911 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.763 10.651 0.283 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -12.928 9.627 -0.110 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.936 9.425 1.309 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.571 8.157 -0.245 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.258 8.126 -1.406 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.864 5.719 -0.938 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.873 4.928 0.292 1.00 0.00 H new ATOM 614 N ASP A 40 -13.200 12.508 -0.555 1.00 0.00 N ATOM 615 CA ASP A 40 -12.472 13.728 -0.226 1.00 0.00 C ATOM 616 C ASP A 40 -13.353 14.958 -0.427 1.00 0.00 C ATOM 617 O ASP A 40 -13.113 16.010 0.167 1.00 0.00 O ATOM 618 CB ASP A 40 -11.212 13.842 -1.085 1.00 0.00 C ATOM 619 CG ASP A 40 -10.258 14.905 -0.576 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.216 15.126 0.653 1.00 0.00 O ATOM 621 OD2 ASP A 40 -9.553 15.516 -1.406 1.00 0.00 O ATOM 0 H ASP A 40 -12.962 12.106 -1.462 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.184 13.678 0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.701 12.879 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.496 14.074 -2.112 1.00 0.00 H new ATOM 626 N LYS A 41 -14.372 14.818 -1.267 1.00 0.00 N ATOM 627 CA LYS A 41 -15.289 15.916 -1.547 1.00 0.00 C ATOM 628 C LYS A 41 -16.349 16.031 -0.457 1.00 0.00 C ATOM 629 O LYS A 41 -16.573 17.109 0.093 1.00 0.00 O ATOM 630 CB LYS A 41 -15.961 15.712 -2.907 1.00 0.00 C ATOM 631 CG LYS A 41 -15.001 15.280 -4.001 1.00 0.00 C ATOM 632 CD LYS A 41 -13.957 16.348 -4.281 1.00 0.00 C ATOM 633 CE LYS A 41 -12.809 15.801 -5.116 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.544 16.548 -4.877 1.00 0.00 N ATOM 0 H LYS A 41 -14.584 13.954 -1.766 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.713 16.841 -1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.745 14.962 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.445 16.641 -3.207 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.506 14.354 -3.707 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.559 15.068 -4.913 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.422 17.184 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -13.570 16.736 -3.339 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -12.659 14.747 -4.880 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -13.070 15.857 -6.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.786 16.145 -5.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.679 17.549 -5.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -11.281 16.473 -3.874 1.00 0.00 H new ATOM 648 N GLU A 42 -16.998 14.912 -0.147 1.00 0.00 N ATOM 649 CA GLU A 42 -18.034 14.889 0.879 1.00 0.00 C ATOM 650 C GLU A 42 -17.693 13.881 1.973 1.00 0.00 C ATOM 651 O GLU A 42 -17.982 14.103 3.148 1.00 0.00 O ATOM 652 CB GLU A 42 -19.390 14.547 0.258 1.00 0.00 C ATOM 653 CG GLU A 42 -19.949 15.647 -0.627 1.00 0.00 C ATOM 654 CD GLU A 42 -20.342 16.884 0.157 1.00 0.00 C ATOM 655 OE1 GLU A 42 -20.810 16.734 1.305 1.00 0.00 O ATOM 656 OE2 GLU A 42 -20.181 18.002 -0.376 1.00 0.00 O ATOM 0 H GLU A 42 -16.824 14.011 -0.592 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.088 15.881 1.328 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.291 13.634 -0.330 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.103 14.337 1.056 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.206 15.918 -1.377 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -20.820 15.269 -1.163 1.00 0.00 H new ATOM 663 N GLY A 43 -17.077 12.771 1.576 1.00 0.00 N ATOM 664 CA GLY A 43 -16.708 11.745 2.534 1.00 0.00 C ATOM 665 C GLY A 43 -17.887 10.887 2.947 1.00 0.00 C ATOM 666 O GLY A 43 -18.378 10.995 4.071 1.00 0.00 O ATOM 0 H GLY A 43 -16.827 12.564 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -15.934 11.110 2.102 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.278 12.216 3.418 1.00 0.00 H new ATOM 670 N ILE A 44 -18.344 10.033 2.037 1.00 0.00 N ATOM 671 CA ILE A 44 -19.473 9.154 2.313 1.00 0.00 C ATOM 672 C ILE A 44 -19.106 7.695 2.065 1.00 0.00 C ATOM 673 O ILE A 44 -18.241 7.376 1.250 1.00 0.00 O ATOM 674 CB ILE A 44 -20.695 9.519 1.450 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.274 9.724 -0.007 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.373 10.768 1.992 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.436 9.985 -0.940 1.00 0.00 C ATOM 0 H ILE A 44 -17.949 9.931 1.102 1.00 0.00 H new ATOM 0 HA ILE A 44 -19.729 9.288 3.364 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.409 8.696 1.490 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.579 10.562 -0.062 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -19.735 8.840 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.235 11.013 1.371 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -21.702 10.588 3.015 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.668 11.599 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.064 10.121 -1.955 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.120 9.137 -0.915 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -21.962 10.885 -0.623 1.00 0.00 H new ATOM 689 N PRO A 45 -19.782 6.785 2.783 1.00 0.00 N ATOM 690 CA PRO A 45 -19.546 5.344 2.657 1.00 0.00 C ATOM 691 C PRO A 45 -20.031 4.792 1.321 1.00 0.00 C ATOM 692 O PRO A 45 -20.757 5.451 0.577 1.00 0.00 O ATOM 693 CB PRO A 45 -20.361 4.749 3.808 1.00 0.00 C ATOM 694 CG PRO A 45 -21.434 5.750 4.070 1.00 0.00 C ATOM 695 CD PRO A 45 -20.827 7.094 3.773 1.00 0.00 C ATOM 0 HA PRO A 45 -18.484 5.100 2.697 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -20.781 3.780 3.536 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -19.742 4.592 4.691 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.303 5.566 3.438 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -21.775 5.695 5.104 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.566 7.789 3.374 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.409 7.553 4.669 1.00 0.00 H new ATOM 703 N PRO A 46 -19.621 3.554 1.007 1.00 0.00 N ATOM 704 CA PRO A 46 -20.002 2.886 -0.241 1.00 0.00 C ATOM 705 C PRO A 46 -21.480 2.509 -0.268 1.00 0.00 C ATOM 706 O PRO A 46 -22.134 2.602 -1.306 1.00 0.00 O ATOM 707 CB PRO A 46 -19.129 1.629 -0.251 1.00 0.00 C ATOM 708 CG PRO A 46 -18.830 1.363 1.184 1.00 0.00 C ATOM 709 CD PRO A 46 -18.753 2.711 1.847 1.00 0.00 C ATOM 0 HA PRO A 46 -19.857 3.529 -1.109 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.651 0.789 -0.709 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.215 1.787 -0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.608 0.749 1.638 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -17.891 0.820 1.293 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.106 2.673 2.878 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -17.731 3.088 1.874 1.00 0.00 H new ATOM 717 N ASP A 47 -21.998 2.084 0.879 1.00 0.00 N ATOM 718 CA ASP A 47 -23.399 1.695 0.986 1.00 0.00 C ATOM 719 C ASP A 47 -24.316 2.858 0.621 1.00 0.00 C ATOM 720 O ASP A 47 -25.454 2.654 0.198 1.00 0.00 O ATOM 721 CB ASP A 47 -23.709 1.211 2.404 1.00 0.00 C ATOM 722 CG ASP A 47 -22.823 0.056 2.828 1.00 0.00 C ATOM 723 OD1 ASP A 47 -23.082 -1.083 2.388 1.00 0.00 O ATOM 724 OD2 ASP A 47 -21.870 0.292 3.601 1.00 0.00 O ATOM 0 H ASP A 47 -21.469 2.000 1.747 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.579 0.880 0.284 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -23.582 2.038 3.103 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -24.753 0.904 2.460 1.00 0.00 H new ATOM 729 N GLN A 48 -23.813 4.077 0.788 1.00 0.00 N ATOM 730 CA GLN A 48 -24.588 5.272 0.477 1.00 0.00 C ATOM 731 C GLN A 48 -24.179 5.850 -0.874 1.00 0.00 C ATOM 732 O GLN A 48 -24.960 6.543 -1.525 1.00 0.00 O ATOM 733 CB GLN A 48 -24.405 6.323 1.572 1.00 0.00 C ATOM 734 CG GLN A 48 -25.280 6.089 2.793 1.00 0.00 C ATOM 735 CD GLN A 48 -25.131 4.691 3.358 1.00 0.00 C ATOM 736 OE1 GLN A 48 -25.741 3.741 2.866 1.00 0.00 O ATOM 737 NE2 GLN A 48 -24.316 4.556 4.398 1.00 0.00 N ATOM 0 H GLN A 48 -22.873 4.263 1.137 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.640 4.990 0.427 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.360 6.335 1.881 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -24.627 7.307 1.160 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -25.025 6.817 3.563 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -26.323 6.260 2.526 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -23.830 5.370 4.774 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.176 3.638 4.820 1.00 0.00 H new ATOM 746 N GLN A 49 -22.949 5.562 -1.287 1.00 0.00 N ATOM 747 CA GLN A 49 -22.436 6.055 -2.560 1.00 0.00 C ATOM 748 C GLN A 49 -23.170 5.408 -3.730 1.00 0.00 C ATOM 749 O GLN A 49 -23.342 4.190 -3.770 1.00 0.00 O ATOM 750 CB GLN A 49 -20.935 5.781 -2.669 1.00 0.00 C ATOM 751 CG GLN A 49 -20.077 6.779 -1.909 1.00 0.00 C ATOM 752 CD GLN A 49 -19.483 7.844 -2.809 1.00 0.00 C ATOM 753 OE1 GLN A 49 -18.299 8.168 -2.709 1.00 0.00 O ATOM 754 NE2 GLN A 49 -20.303 8.394 -3.696 1.00 0.00 N ATOM 0 H GLN A 49 -22.290 4.990 -0.759 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.605 7.131 -2.599 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.729 4.778 -2.294 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.647 5.794 -3.720 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -20.680 7.257 -1.137 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -19.272 6.248 -1.401 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -21.277 8.095 -3.744 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -19.959 9.116 -4.330 1.00 0.00 H new ATOM 763 N ARG A 50 -23.600 6.232 -4.680 1.00 0.00 N ATOM 764 CA ARG A 50 -24.317 5.740 -5.850 1.00 0.00 C ATOM 765 C ARG A 50 -24.176 6.709 -7.021 1.00 0.00 C ATOM 766 O ARG A 50 -24.726 7.811 -6.999 1.00 0.00 O ATOM 767 CB ARG A 50 -25.797 5.536 -5.519 1.00 0.00 C ATOM 768 CG ARG A 50 -26.092 4.205 -4.846 1.00 0.00 C ATOM 769 CD ARG A 50 -27.438 3.647 -5.281 1.00 0.00 C ATOM 770 NE ARG A 50 -27.794 2.439 -4.541 1.00 0.00 N ATOM 771 CZ ARG A 50 -28.187 2.443 -3.272 1.00 0.00 C ATOM 772 NH1 ARG A 50 -28.274 3.586 -2.606 1.00 0.00 N ATOM 773 NH2 ARG A 50 -28.495 1.303 -2.668 1.00 0.00 N ATOM 0 H ARG A 50 -23.464 7.243 -4.662 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.880 4.783 -6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.130 6.344 -4.868 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.379 5.606 -6.438 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.305 3.491 -5.089 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.083 4.333 -3.764 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -28.209 4.403 -5.133 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -27.411 3.424 -6.348 1.00 0.00 H new ATOM 0 HE ARG A 50 -27.738 1.543 -5.025 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -28.039 4.465 -3.068 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -28.576 3.587 -1.632 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -28.430 0.422 -3.178 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -28.797 1.307 -1.694 1.00 0.00 H new ATOM 787 N LEU A 51 -23.436 6.291 -8.042 1.00 0.00 N ATOM 788 CA LEU A 51 -23.222 7.121 -9.222 1.00 0.00 C ATOM 789 C LEU A 51 -24.227 6.780 -10.317 1.00 0.00 C ATOM 790 O LEU A 51 -24.496 5.609 -10.584 1.00 0.00 O ATOM 791 CB LEU A 51 -21.797 6.937 -9.747 1.00 0.00 C ATOM 792 CG LEU A 51 -20.708 7.736 -9.029 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.999 9.226 -9.111 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.591 7.292 -7.578 1.00 0.00 C ATOM 0 H LEU A 51 -22.974 5.382 -8.076 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.365 8.163 -8.934 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.543 5.879 -9.686 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.782 7.208 -10.803 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.756 7.545 -9.524 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -20.214 9.779 -8.595 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -21.032 9.533 -10.156 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.960 9.436 -8.641 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.812 7.871 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.542 7.454 -7.070 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.336 6.233 -7.541 1.00 0.00 H new ATOM 806 N ILE A 52 -24.778 7.811 -10.949 1.00 0.00 N ATOM 807 CA ILE A 52 -25.751 7.621 -12.017 1.00 0.00 C ATOM 808 C ILE A 52 -25.181 8.053 -13.364 1.00 0.00 C ATOM 809 O ILE A 52 -24.456 9.045 -13.454 1.00 0.00 O ATOM 810 CB ILE A 52 -27.047 8.407 -11.745 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.499 8.202 -10.297 1.00 0.00 C ATOM 812 CG2 ILE A 52 -28.140 7.977 -12.712 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.726 6.751 -9.934 1.00 0.00 C ATOM 0 H ILE A 52 -24.567 8.787 -10.740 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.981 6.556 -12.047 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.850 9.468 -11.898 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.748 8.622 -9.628 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.422 8.758 -10.131 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -29.050 8.541 -12.507 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.817 8.169 -13.735 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.338 6.912 -12.587 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -28.044 6.682 -8.894 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.498 6.331 -10.579 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.799 6.193 -10.068 1.00 0.00 H new ATOM 825 N PHE A 53 -25.514 7.304 -14.409 1.00 0.00 N ATOM 826 CA PHE A 53 -25.035 7.610 -15.753 1.00 0.00 C ATOM 827 C PHE A 53 -26.121 7.341 -16.791 1.00 0.00 C ATOM 828 O PHE A 53 -26.578 6.209 -16.948 1.00 0.00 O ATOM 829 CB PHE A 53 -23.790 6.782 -16.075 1.00 0.00 C ATOM 830 CG PHE A 53 -23.165 7.128 -17.396 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.268 8.178 -17.500 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.475 6.401 -18.535 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.693 8.499 -18.715 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.902 6.717 -19.752 1.00 0.00 C ATOM 835 CZ PHE A 53 -22.009 7.767 -19.842 1.00 0.00 C ATOM 0 H PHE A 53 -26.113 6.481 -14.352 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.777 8.669 -15.788 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -23.053 6.926 -15.285 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -24.056 5.725 -16.074 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -22.015 8.753 -16.621 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.172 5.579 -18.470 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.997 9.322 -18.783 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.152 6.143 -20.632 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.559 8.015 -20.792 1.00 0.00 H new ATOM 845 N ALA A 54 -26.529 8.391 -17.496 1.00 0.00 N ATOM 846 CA ALA A 54 -27.560 8.269 -18.520 1.00 0.00 C ATOM 847 C ALA A 54 -28.809 7.595 -17.964 1.00 0.00 C ATOM 848 O ALA A 54 -29.411 6.744 -18.618 1.00 0.00 O ATOM 849 CB ALA A 54 -27.027 7.492 -19.715 1.00 0.00 C ATOM 0 H ALA A 54 -26.162 9.335 -17.377 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.835 9.272 -18.845 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.807 7.408 -20.472 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.168 8.015 -20.135 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.724 6.495 -19.395 1.00 0.00 H new ATOM 855 N GLY A 55 -29.195 7.982 -16.751 1.00 0.00 N ATOM 856 CA GLY A 55 -30.371 7.404 -16.128 1.00 0.00 C ATOM 857 C GLY A 55 -30.168 5.953 -15.741 1.00 0.00 C ATOM 858 O GLY A 55 -31.133 5.213 -15.549 1.00 0.00 O ATOM 0 H GLY A 55 -28.714 8.685 -16.190 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.629 7.981 -15.240 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -31.215 7.479 -16.813 1.00 0.00 H new ATOM 862 N LYS A 56 -28.909 5.542 -15.628 1.00 0.00 N ATOM 863 CA LYS A 56 -28.582 4.169 -15.262 1.00 0.00 C ATOM 864 C LYS A 56 -27.578 4.137 -14.114 1.00 0.00 C ATOM 865 O LYS A 56 -26.506 4.735 -14.199 1.00 0.00 O ATOM 866 CB LYS A 56 -28.015 3.419 -16.470 1.00 0.00 C ATOM 867 CG LYS A 56 -29.050 2.593 -17.213 1.00 0.00 C ATOM 868 CD LYS A 56 -28.551 2.177 -18.587 1.00 0.00 C ATOM 869 CE LYS A 56 -29.347 1.004 -19.138 1.00 0.00 C ATOM 870 NZ LYS A 56 -28.979 0.698 -20.548 1.00 0.00 N ATOM 0 H LYS A 56 -28.098 6.141 -15.785 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.498 3.678 -14.934 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -27.574 4.139 -17.159 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.211 2.763 -16.136 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -29.295 1.705 -16.630 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -29.969 3.169 -17.318 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -28.624 3.021 -19.273 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -27.497 1.906 -18.526 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -29.174 0.124 -18.518 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -30.412 1.229 -19.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -29.543 -0.107 -20.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -29.168 1.529 -21.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -27.968 0.458 -20.599 1.00 0.00 H new ATOM 884 N GLN A 57 -27.933 3.434 -13.044 1.00 0.00 N ATOM 885 CA GLN A 57 -27.062 3.324 -11.879 1.00 0.00 C ATOM 886 C GLN A 57 -25.763 2.610 -12.238 1.00 0.00 C ATOM 887 O GLN A 57 -25.763 1.643 -13.000 1.00 0.00 O ATOM 888 CB GLN A 57 -27.775 2.575 -10.752 1.00 0.00 C ATOM 889 CG GLN A 57 -28.139 1.143 -11.108 1.00 0.00 C ATOM 890 CD GLN A 57 -29.035 0.494 -10.071 1.00 0.00 C ATOM 891 OE1 GLN A 57 -28.984 0.834 -8.889 1.00 0.00 O ATOM 892 NE2 GLN A 57 -29.864 -0.447 -10.510 1.00 0.00 N ATOM 0 H GLN A 57 -28.817 2.932 -12.959 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.821 4.331 -11.540 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -27.136 2.570 -9.869 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.683 3.116 -10.485 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -28.640 1.129 -12.076 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -27.227 0.556 -11.213 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.873 -0.698 -11.499 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -30.491 -0.919 -9.858 1.00 0.00 H new ATOM 901 N LEU A 58 -24.656 3.093 -11.683 1.00 0.00 N ATOM 902 CA LEU A 58 -23.349 2.501 -11.944 1.00 0.00 C ATOM 903 C LEU A 58 -22.976 1.502 -10.854 1.00 0.00 C ATOM 904 O LEU A 58 -23.470 1.582 -9.730 1.00 0.00 O ATOM 905 CB LEU A 58 -22.282 3.594 -12.037 1.00 0.00 C ATOM 906 CG LEU A 58 -22.553 4.714 -13.042 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.456 5.765 -12.980 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.674 4.149 -14.450 1.00 0.00 C ATOM 0 H LEU A 58 -24.638 3.893 -11.050 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.401 1.970 -12.895 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -22.161 4.040 -11.050 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.332 3.125 -12.293 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.498 5.190 -12.780 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.666 6.554 -13.702 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.417 6.192 -11.978 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.497 5.304 -13.215 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.867 4.960 -15.152 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.745 3.647 -14.722 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.497 3.435 -14.486 1.00 0.00 H new ATOM 920 N GLU A 59 -22.099 0.562 -11.194 1.00 0.00 N ATOM 921 CA GLU A 59 -21.659 -0.452 -10.243 1.00 0.00 C ATOM 922 C GLU A 59 -20.244 -0.922 -10.565 1.00 0.00 C ATOM 923 O GLU A 59 -19.755 -0.736 -11.680 1.00 0.00 O ATOM 924 CB GLU A 59 -22.619 -1.643 -10.254 1.00 0.00 C ATOM 925 CG GLU A 59 -24.048 -1.277 -9.889 1.00 0.00 C ATOM 926 CD GLU A 59 -24.980 -2.473 -9.909 1.00 0.00 C ATOM 927 OE1 GLU A 59 -25.222 -3.017 -11.007 1.00 0.00 O ATOM 928 OE2 GLU A 59 -25.468 -2.864 -8.828 1.00 0.00 O ATOM 0 H GLU A 59 -21.680 0.482 -12.120 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.657 -0.005 -9.249 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.611 -2.096 -11.245 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -22.257 -2.397 -9.556 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -24.062 -0.827 -8.896 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.415 -0.523 -10.586 1.00 0.00 H new ATOM 935 N ASP A 60 -19.592 -1.532 -9.582 1.00 0.00 N ATOM 936 CA ASP A 60 -18.233 -2.031 -9.759 1.00 0.00 C ATOM 937 C ASP A 60 -18.166 -3.028 -10.912 1.00 0.00 C ATOM 938 O ASP A 60 -19.192 -3.434 -11.455 1.00 0.00 O ATOM 939 CB ASP A 60 -17.735 -2.687 -8.471 1.00 0.00 C ATOM 940 CG ASP A 60 -17.496 -1.680 -7.363 1.00 0.00 C ATOM 941 OD1 ASP A 60 -17.688 -0.471 -7.608 1.00 0.00 O ATOM 942 OD2 ASP A 60 -17.116 -2.101 -6.250 1.00 0.00 O ATOM 0 H ASP A 60 -19.983 -1.693 -8.654 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.590 -1.184 -9.997 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -18.465 -3.424 -8.137 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -16.809 -3.225 -8.675 1.00 0.00 H new ATOM 947 N GLY A 61 -16.949 -3.418 -11.280 1.00 0.00 N ATOM 948 CA GLY A 61 -16.771 -4.364 -12.367 1.00 0.00 C ATOM 949 C GLY A 61 -16.251 -3.705 -13.629 1.00 0.00 C ATOM 950 O GLY A 61 -15.168 -4.038 -14.111 1.00 0.00 O ATOM 0 H GLY A 61 -16.084 -3.096 -10.845 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.077 -5.144 -12.056 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -17.723 -4.851 -12.581 1.00 0.00 H new ATOM 954 N ARG A 62 -17.025 -2.768 -14.168 1.00 0.00 N ATOM 955 CA ARG A 62 -16.638 -2.063 -15.384 1.00 0.00 C ATOM 956 C ARG A 62 -15.850 -0.799 -15.052 1.00 0.00 C ATOM 957 O ARG A 62 -15.806 -0.366 -13.900 1.00 0.00 O ATOM 958 CB ARG A 62 -17.876 -1.704 -16.206 1.00 0.00 C ATOM 959 CG ARG A 62 -18.264 -2.769 -17.219 1.00 0.00 C ATOM 960 CD ARG A 62 -19.609 -2.464 -17.860 1.00 0.00 C ATOM 961 NE ARG A 62 -20.115 -3.594 -18.634 1.00 0.00 N ATOM 962 CZ ARG A 62 -21.347 -3.654 -19.129 1.00 0.00 C ATOM 963 NH1 ARG A 62 -22.193 -2.652 -18.931 1.00 0.00 N ATOM 964 NH2 ARG A 62 -21.733 -4.716 -19.823 1.00 0.00 N ATOM 0 H ARG A 62 -17.924 -2.480 -13.781 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.000 -2.724 -15.971 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.714 -1.535 -15.530 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.695 -0.765 -16.730 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -17.498 -2.834 -17.992 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -18.306 -3.741 -16.728 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -20.330 -2.204 -17.085 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -19.512 -1.594 -18.510 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.488 -4.381 -18.804 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -21.899 -1.834 -18.398 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -23.138 -2.700 -19.312 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -21.084 -5.488 -19.977 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -22.679 -4.761 -20.202 1.00 0.00 H new ATOM 978 N THR A 63 -15.228 -0.211 -16.069 1.00 0.00 N ATOM 979 CA THR A 63 -14.440 1.001 -15.886 1.00 0.00 C ATOM 980 C THR A 63 -15.100 2.194 -16.570 1.00 0.00 C ATOM 981 O THR A 63 -16.006 2.030 -17.388 1.00 0.00 O ATOM 982 CB THR A 63 -13.012 0.832 -16.438 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.253 2.024 -16.205 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.041 0.527 -17.928 1.00 0.00 C ATOM 0 H THR A 63 -15.255 -0.555 -17.029 1.00 0.00 H new ATOM 0 HA THR A 63 -14.387 1.184 -14.813 1.00 0.00 H new ATOM 0 HB THR A 63 -12.542 -0.005 -15.921 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.448 2.366 -15.308 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.021 0.412 -18.296 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.595 -0.396 -18.100 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.527 1.346 -18.458 1.00 0.00 H new ATOM 992 N LEU A 64 -14.640 3.393 -16.230 1.00 0.00 N ATOM 993 CA LEU A 64 -15.185 4.614 -16.812 1.00 0.00 C ATOM 994 C LEU A 64 -15.172 4.544 -18.336 1.00 0.00 C ATOM 995 O LEU A 64 -16.146 4.911 -18.993 1.00 0.00 O ATOM 996 CB LEU A 64 -14.386 5.829 -16.339 1.00 0.00 C ATOM 997 CG LEU A 64 -14.495 6.167 -14.852 1.00 0.00 C ATOM 998 CD1 LEU A 64 -13.238 6.874 -14.371 1.00 0.00 C ATOM 999 CD2 LEU A 64 -15.725 7.025 -14.589 1.00 0.00 C ATOM 0 H LEU A 64 -13.891 3.546 -15.554 1.00 0.00 H new ATOM 0 HA LEU A 64 -16.218 4.715 -16.480 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.335 5.663 -16.577 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.710 6.697 -16.913 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.599 5.236 -14.295 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -13.335 7.106 -13.310 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.375 6.226 -14.523 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -13.102 7.797 -14.934 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -15.787 7.256 -13.526 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -15.651 7.952 -15.158 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -16.619 6.482 -14.895 1.00 0.00 H new ATOM 1011 N SER A 65 -14.061 4.069 -18.892 1.00 0.00 N ATOM 1012 CA SER A 65 -13.920 3.952 -20.338 1.00 0.00 C ATOM 1013 C SER A 65 -15.034 3.090 -20.925 1.00 0.00 C ATOM 1014 O SER A 65 -15.540 3.368 -22.012 1.00 0.00 O ATOM 1015 CB SER A 65 -12.557 3.354 -20.692 1.00 0.00 C ATOM 1016 OG SER A 65 -12.564 2.808 -22.000 1.00 0.00 O ATOM 0 H SER A 65 -13.246 3.759 -18.362 1.00 0.00 H new ATOM 0 HA SER A 65 -13.993 4.951 -20.767 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.789 4.124 -20.620 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.299 2.578 -19.972 1.00 0.00 H new ATOM 0 HG SER A 65 -11.681 2.434 -22.203 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.410 2.044 -20.197 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.463 1.140 -20.645 1.00 0.00 C ATOM 1024 C GLU A 66 -17.837 1.785 -20.487 1.00 0.00 C ATOM 1025 O GLU A 66 -18.790 1.419 -21.176 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.410 -0.171 -19.859 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.330 -1.126 -20.341 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.818 -2.053 -21.437 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -16.670 -2.918 -21.145 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -15.348 -1.914 -22.585 1.00 0.00 O ATOM 0 H GLU A 66 -15.001 1.801 -19.294 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.299 0.928 -21.702 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.241 0.053 -18.806 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.379 -0.666 -19.929 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.480 -0.551 -20.708 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.974 -1.720 -19.500 1.00 0.00 H new ATOM 1037 N TYR A 67 -17.931 2.747 -19.575 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.188 3.441 -19.324 1.00 0.00 C ATOM 1039 C TYR A 67 -19.317 4.674 -20.213 1.00 0.00 C ATOM 1040 O TYR A 67 -20.202 5.505 -20.017 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.284 3.848 -17.852 1.00 0.00 C ATOM 1042 CG TYR A 67 -19.604 2.697 -16.925 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -20.847 2.077 -16.959 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -18.664 2.231 -16.015 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.144 1.025 -16.114 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -18.951 1.179 -15.167 1.00 0.00 C ATOM 1047 CZ TYR A 67 -20.193 0.580 -15.220 1.00 0.00 C ATOM 1048 OH TYR A 67 -20.484 -0.467 -14.376 1.00 0.00 O ATOM 0 H TYR A 67 -17.152 3.063 -18.998 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.004 2.758 -19.560 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.340 4.298 -17.546 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -20.052 4.614 -17.745 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.594 2.423 -17.658 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -17.692 2.699 -15.970 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.115 0.554 -16.153 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -18.208 0.827 -14.467 1.00 0.00 H new ATOM 0 HH TYR A 67 -20.087 -0.298 -13.496 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.426 4.783 -21.194 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.439 5.914 -22.115 1.00 0.00 C ATOM 1060 C ASN A 68 -18.316 7.233 -21.359 1.00 0.00 C ATOM 1061 O ASN A 68 -18.722 8.285 -21.855 1.00 0.00 O ATOM 1062 CB ASN A 68 -19.724 5.907 -22.946 1.00 0.00 C ATOM 1063 CG ASN A 68 -20.008 4.551 -23.561 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -20.397 3.611 -22.868 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -19.813 4.443 -24.870 1.00 0.00 N ATOM 0 H ASN A 68 -17.687 4.103 -21.371 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.582 5.817 -22.782 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.563 6.199 -22.315 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -19.646 6.652 -23.737 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.987 3.554 -25.340 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.490 5.249 -25.406 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.753 7.170 -20.157 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.574 8.359 -19.334 1.00 0.00 C ATOM 1074 C ILE A 69 -16.330 9.136 -19.752 1.00 0.00 C ATOM 1075 O ILE A 69 -15.214 8.795 -19.361 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.463 7.999 -17.841 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.717 7.253 -17.379 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.248 9.253 -17.008 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.577 6.627 -16.009 1.00 0.00 C ATOM 0 H ILE A 69 -17.413 6.308 -19.732 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.456 8.982 -19.485 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.603 7.344 -17.703 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.559 7.945 -17.369 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -18.954 6.474 -18.103 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -17.172 8.982 -15.955 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.328 9.746 -17.323 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -18.090 9.931 -17.148 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.503 6.115 -15.746 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.756 5.910 -16.019 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.371 7.404 -15.273 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.532 10.181 -20.547 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.426 11.007 -21.017 1.00 0.00 C ATOM 1093 C GLN A 70 -15.031 12.039 -19.965 1.00 0.00 C ATOM 1094 O GLN A 70 -15.488 11.983 -18.823 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.806 11.711 -22.321 1.00 0.00 C ATOM 1096 CG GLN A 70 -16.349 10.771 -23.385 1.00 0.00 C ATOM 1097 CD GLN A 70 -16.771 11.497 -24.646 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -15.975 12.206 -25.264 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -18.028 11.325 -25.036 1.00 0.00 N ATOM 0 H GLN A 70 -17.450 10.476 -20.879 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.571 10.356 -21.199 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.554 12.475 -22.107 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.929 12.225 -22.715 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -15.588 10.032 -23.634 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -17.202 10.226 -22.981 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -18.653 10.729 -24.494 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -18.369 11.789 -25.878 1.00 0.00 H new ATOM 1108 N LYS A 71 -14.179 12.980 -20.357 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.723 14.025 -19.449 1.00 0.00 C ATOM 1110 C LYS A 71 -14.734 15.165 -19.379 1.00 0.00 C ATOM 1111 O LYS A 71 -14.597 16.079 -18.567 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.363 14.563 -19.900 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.383 15.181 -21.288 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.045 15.021 -21.989 1.00 0.00 C ATOM 1115 CE LYS A 71 -9.966 15.866 -21.328 1.00 0.00 C ATOM 1116 NZ LYS A 71 -10.199 17.322 -21.533 1.00 0.00 N ATOM 0 H LYS A 71 -13.790 13.040 -21.298 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.624 13.589 -18.455 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -12.022 15.310 -19.184 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.637 13.750 -19.884 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.166 14.712 -21.885 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.631 16.240 -21.212 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.748 13.972 -21.974 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.144 15.309 -23.036 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -9.938 15.649 -20.260 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -8.992 15.593 -21.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -9.344 17.851 -21.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -10.419 17.501 -22.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.997 17.632 -20.942 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.751 15.102 -20.233 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.785 16.129 -20.266 1.00 0.00 C ATOM 1132 C GLU A 72 -18.153 15.534 -19.941 1.00 0.00 C ATOM 1133 O GLU A 72 -19.155 16.247 -19.891 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.823 16.802 -21.640 1.00 0.00 C ATOM 1135 CG GLU A 72 -15.485 17.374 -22.075 1.00 0.00 C ATOM 1136 CD GLU A 72 -15.621 18.396 -23.187 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -15.774 19.595 -22.875 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -15.573 17.996 -24.369 1.00 0.00 O ATOM 0 H GLU A 72 -15.881 14.351 -20.911 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.544 16.876 -19.510 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.157 16.076 -22.382 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -17.562 17.603 -21.623 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -14.997 17.838 -21.218 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -14.839 16.563 -22.410 1.00 0.00 H new ATOM 1145 N SER A 73 -18.184 14.224 -19.721 1.00 0.00 N ATOM 1146 CA SER A 73 -19.428 13.532 -19.404 1.00 0.00 C ATOM 1147 C SER A 73 -20.074 14.120 -18.153 1.00 0.00 C ATOM 1148 O SER A 73 -19.397 14.701 -17.304 1.00 0.00 O ATOM 1149 CB SER A 73 -19.169 12.038 -19.204 1.00 0.00 C ATOM 1150 OG SER A 73 -19.290 11.331 -20.426 1.00 0.00 O ATOM 0 H SER A 73 -17.363 13.620 -19.756 1.00 0.00 H new ATOM 0 HA SER A 73 -20.112 13.666 -20.242 1.00 0.00 H new ATOM 0 HB2 SER A 73 -18.170 11.891 -18.793 1.00 0.00 H new ATOM 0 HB3 SER A 73 -19.876 11.637 -18.477 1.00 0.00 H new ATOM 0 HG SER A 73 -19.878 10.557 -20.299 1.00 0.00 H new ATOM 1156 N THR A 74 -21.390 13.964 -18.045 1.00 0.00 N ATOM 1157 CA THR A 74 -22.129 14.480 -16.900 1.00 0.00 C ATOM 1158 C THR A 74 -22.489 13.361 -15.929 1.00 0.00 C ATOM 1159 O THR A 74 -23.202 12.421 -16.285 1.00 0.00 O ATOM 1160 CB THR A 74 -23.419 15.197 -17.340 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.180 15.943 -18.538 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.919 16.130 -16.247 1.00 0.00 C ATOM 0 H THR A 74 -21.966 13.484 -18.737 1.00 0.00 H new ATOM 0 HA THR A 74 -21.477 15.196 -16.400 1.00 0.00 H new ATOM 0 HB THR A 74 -24.182 14.442 -17.529 1.00 0.00 H new ATOM 0 HG1 THR A 74 -24.005 16.395 -18.812 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.831 16.625 -16.580 1.00 0.00 H new ATOM 0 HG22 THR A 74 -24.128 15.555 -15.345 1.00 0.00 H new ATOM 0 HG23 THR A 74 -23.157 16.879 -16.032 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.993 13.466 -14.701 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.264 12.462 -13.678 1.00 0.00 C ATOM 1172 C LEU A 75 -23.318 12.958 -12.694 1.00 0.00 C ATOM 1173 O LEU A 75 -23.490 14.163 -12.507 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.977 12.109 -12.929 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.319 10.784 -13.314 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.194 9.612 -12.896 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.044 10.739 -14.810 1.00 0.00 C ATOM 0 H LEU A 75 -21.401 14.236 -14.390 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.647 11.569 -14.172 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.256 12.910 -13.089 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.196 12.086 -11.861 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.368 10.707 -12.788 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.709 8.677 -13.178 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.340 9.634 -11.816 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.161 9.684 -13.394 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.576 9.789 -15.065 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.982 10.839 -15.356 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.377 11.557 -15.082 1.00 0.00 H new ATOM 1189 N HIS A 76 -24.021 12.022 -12.065 1.00 0.00 N ATOM 1190 CA HIS A 76 -25.057 12.364 -11.097 1.00 0.00 C ATOM 1191 C HIS A 76 -24.881 11.566 -9.808 1.00 0.00 C ATOM 1192 O HIS A 76 -24.979 10.339 -9.807 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.443 12.101 -11.688 1.00 0.00 C ATOM 1194 CG HIS A 76 -27.051 13.302 -12.344 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -27.414 14.437 -11.650 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.359 13.541 -13.640 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.920 15.321 -12.490 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.897 14.803 -13.705 1.00 0.00 N ATOM 0 H HIS A 76 -23.892 11.020 -12.208 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.965 13.424 -10.862 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.371 11.295 -12.419 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -27.107 11.754 -10.896 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -27.210 12.865 -14.469 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -28.290 16.301 -12.228 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -28.225 15.265 -14.553 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.620 12.272 -8.713 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.429 11.630 -7.417 1.00 0.00 C ATOM 1208 C LEU A 77 -25.720 11.650 -6.604 1.00 0.00 C ATOM 1209 O LEU A 77 -26.223 12.715 -6.246 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.312 12.328 -6.639 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.090 11.846 -5.205 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -22.901 10.338 -5.173 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -21.890 12.549 -4.586 1.00 0.00 C ATOM 0 H LEU A 77 -24.536 13.288 -8.697 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.147 10.592 -7.592 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -22.380 12.204 -7.191 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -23.528 13.396 -6.613 1.00 0.00 H new ATOM 0 HG LEU A 77 -23.974 12.094 -4.617 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -22.744 10.013 -4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -23.789 9.851 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -22.034 10.067 -5.775 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -21.747 12.194 -3.565 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -20.998 12.332 -5.174 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.065 13.625 -4.575 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.249 10.466 -6.315 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.479 10.347 -5.541 1.00 0.00 C ATOM 1227 C VAL A 78 -27.240 9.588 -4.241 1.00 0.00 C ATOM 1228 O VAL A 78 -26.793 8.440 -4.253 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.581 9.631 -6.345 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.157 10.558 -7.405 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.038 8.358 -6.976 1.00 0.00 C ATOM 0 H VAL A 78 -25.845 9.575 -6.605 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.807 11.361 -5.311 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.385 9.356 -5.662 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.934 10.035 -7.963 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.585 11.438 -6.925 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.365 10.866 -8.088 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.830 7.865 -7.540 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.215 8.607 -7.647 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.679 7.689 -6.194 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.540 10.235 -3.121 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.358 9.621 -1.810 1.00 0.00 C ATOM 1243 C LEU A 79 -28.700 9.227 -1.202 1.00 0.00 C ATOM 1244 O LEU A 79 -29.666 9.988 -1.259 1.00 0.00 O ATOM 1245 CB LEU A 79 -26.623 10.581 -0.873 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.098 10.586 -0.978 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -24.529 9.240 -0.555 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -24.662 10.929 -2.395 1.00 0.00 C ATOM 0 H LEU A 79 -27.911 11.185 -3.094 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.760 8.719 -1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -26.984 11.592 -1.065 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -26.896 10.335 0.153 1.00 0.00 H new ATOM 0 HG LEU A 79 -24.709 11.350 -0.304 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -23.442 9.263 -0.636 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -24.811 9.034 0.477 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -24.925 8.458 -1.203 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -23.573 10.928 -2.451 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.062 10.189 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.038 11.916 -2.662 1.00 0.00 H new