USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18 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 15 THR OG1 : rot -74:sc= 0.651 USER MOD Set 1.2: A 19 LYS NZ :NH3+ 149:sc= -0.377 (180deg=-1.47) USER MOD Single : A 8 SER OG : rot -25:sc= 0.323 USER MOD Single : A 9 MET CE :methyl -130:sc= 0 (180deg=-0.456) USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ -98:sc= -2.2! (180deg=-5.13!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 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= 0.0424 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -0.255 X(o=-0.26,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.211) USER MOD Single : A 37 LYS NZ :NH3+ -106:sc= 1.18 (180deg=-0.164) USER MOD Single : A 39 GLN : amide:sc= -0.0537 K(o=-0.054,f=-1.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 GLN : amide:sc=-0.000131 X(o=-0.00013,f=-0.46) USER MOD Single : A 49 GLN : amide:sc= -0.702 K(o=-0.7,f=-2.3) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.97 K(o=-0.97,f=-2.6!) USER MOD Single : A 63 THR OG1 : rot 47:sc= 0.18 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc=-0.00408 X(o=-0.0041,f=0) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 71 LYS NZ :NH3+ 157:sc= -0.117 (180deg=-0.681) USER MOD Single : A 73 SER OG : rot -90:sc= -3.6! 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=-0.21) USER MOD ----------------------------------------------------------------- ATOM 99 N SER A 8 -4.872 9.810 -16.526 1.00 0.00 N ATOM 100 CA SER A 8 -6.002 10.259 -15.721 1.00 0.00 C ATOM 101 C SER A 8 -6.640 11.504 -16.328 1.00 0.00 C ATOM 102 O SER A 8 -5.946 12.402 -16.803 1.00 0.00 O ATOM 103 CB SER A 8 -5.551 10.550 -14.288 1.00 0.00 C ATOM 104 OG SER A 8 -4.311 11.236 -14.273 1.00 0.00 O ATOM 0 HA SER A 8 -6.745 9.462 -15.705 1.00 0.00 H new ATOM 0 HB2 SER A 8 -6.307 11.148 -13.780 1.00 0.00 H new ATOM 0 HB3 SER A 8 -5.460 9.615 -13.735 1.00 0.00 H new ATOM 0 HG SER A 8 -3.817 11.036 -15.095 1.00 0.00 H new ATOM 110 N MET A 9 -7.968 11.550 -16.309 1.00 0.00 N ATOM 111 CA MET A 9 -8.702 12.686 -16.856 1.00 0.00 C ATOM 112 C MET A 9 -9.721 13.210 -15.850 1.00 0.00 C ATOM 113 O MET A 9 -10.154 12.484 -14.956 1.00 0.00 O ATOM 114 CB MET A 9 -9.407 12.287 -18.154 1.00 0.00 C ATOM 115 CG MET A 9 -10.478 11.226 -17.962 1.00 0.00 C ATOM 116 SD MET A 9 -9.914 9.577 -18.427 1.00 0.00 S ATOM 117 CE MET A 9 -9.927 9.707 -20.214 1.00 0.00 C ATOM 0 H MET A 9 -8.558 10.814 -15.921 1.00 0.00 H new ATOM 0 HA MET A 9 -7.987 13.481 -17.069 1.00 0.00 H new ATOM 0 HB2 MET A 9 -9.860 13.173 -18.599 1.00 0.00 H new ATOM 0 HB3 MET A 9 -8.665 11.919 -18.862 1.00 0.00 H new ATOM 0 HG2 MET A 9 -10.792 11.217 -16.918 1.00 0.00 H new ATOM 0 HG3 MET A 9 -11.353 11.487 -18.556 1.00 0.00 H new ATOM 0 HE1 MET A 9 -10.464 8.858 -20.637 1.00 0.00 H new ATOM 0 HE2 MET A 9 -10.422 10.633 -20.508 1.00 0.00 H new ATOM 0 HE3 MET A 9 -8.902 9.710 -20.586 1.00 0.00 H new ATOM 127 N GLN A 10 -10.100 14.475 -16.003 1.00 0.00 N ATOM 128 CA GLN A 10 -11.068 15.096 -15.106 1.00 0.00 C ATOM 129 C GLN A 10 -12.474 15.031 -15.693 1.00 0.00 C ATOM 130 O GLN A 10 -12.658 15.167 -16.903 1.00 0.00 O ATOM 131 CB GLN A 10 -10.683 16.551 -14.834 1.00 0.00 C ATOM 132 CG GLN A 10 -10.767 17.442 -16.063 1.00 0.00 C ATOM 133 CD GLN A 10 -9.446 18.109 -16.392 1.00 0.00 C ATOM 134 OE1 GLN A 10 -8.841 17.837 -17.429 1.00 0.00 O ATOM 135 NE2 GLN A 10 -8.991 18.990 -15.508 1.00 0.00 N ATOM 0 H GLN A 10 -9.752 15.089 -16.739 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.061 14.544 -14.166 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -11.336 16.952 -14.059 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -9.667 16.582 -14.442 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -11.092 16.847 -16.917 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.526 18.208 -15.901 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -9.525 19.185 -14.661 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -8.107 19.471 -15.676 1.00 0.00 H new ATOM 144 N ILE A 11 -13.461 14.821 -14.829 1.00 0.00 N ATOM 145 CA ILE A 11 -14.850 14.738 -15.263 1.00 0.00 C ATOM 146 C ILE A 11 -15.727 15.716 -14.488 1.00 0.00 C ATOM 147 O ILE A 11 -15.288 16.317 -13.507 1.00 0.00 O ATOM 148 CB ILE A 11 -15.411 13.314 -15.089 1.00 0.00 C ATOM 149 CG1 ILE A 11 -15.468 12.943 -13.606 1.00 0.00 C ATOM 150 CG2 ILE A 11 -14.562 12.314 -15.859 1.00 0.00 C ATOM 151 CD1 ILE A 11 -16.008 11.553 -13.352 1.00 0.00 C ATOM 0 H ILE A 11 -13.325 14.705 -13.825 1.00 0.00 H new ATOM 0 HA ILE A 11 -14.866 14.999 -16.321 1.00 0.00 H new ATOM 0 HB ILE A 11 -16.424 13.286 -15.490 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -14.467 13.018 -13.182 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.091 13.668 -13.082 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -14.970 11.312 -15.727 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -14.568 12.571 -16.918 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -13.539 12.341 -15.485 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.020 11.358 -12.280 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.022 11.479 -13.746 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -15.372 10.819 -13.847 1.00 0.00 H new ATOM 163 N PHE A 12 -16.970 15.869 -14.933 1.00 0.00 N ATOM 164 CA PHE A 12 -17.910 16.772 -14.280 1.00 0.00 C ATOM 165 C PHE A 12 -19.037 15.993 -13.608 1.00 0.00 C ATOM 166 O PHE A 12 -19.683 15.152 -14.233 1.00 0.00 O ATOM 167 CB PHE A 12 -18.492 17.758 -15.296 1.00 0.00 C ATOM 168 CG PHE A 12 -17.465 18.674 -15.898 1.00 0.00 C ATOM 169 CD1 PHE A 12 -16.797 19.599 -15.111 1.00 0.00 C ATOM 170 CD2 PHE A 12 -17.168 18.612 -17.250 1.00 0.00 C ATOM 171 CE1 PHE A 12 -15.852 20.444 -15.662 1.00 0.00 C ATOM 172 CE2 PHE A 12 -16.225 19.454 -17.806 1.00 0.00 C ATOM 173 CZ PHE A 12 -15.565 20.371 -17.011 1.00 0.00 C ATOM 0 H PHE A 12 -17.349 15.379 -15.743 1.00 0.00 H new ATOM 0 HA PHE A 12 -17.369 17.327 -13.514 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -18.981 17.199 -16.094 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -19.261 18.358 -14.809 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -17.017 19.660 -14.055 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -17.680 17.897 -17.876 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -15.339 21.161 -15.038 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -16.004 19.396 -18.861 1.00 0.00 H new ATOM 0 HZ PHE A 12 -14.826 21.029 -17.443 1.00 0.00 H new ATOM 183 N VAL A 13 -19.266 16.279 -12.331 1.00 0.00 N ATOM 184 CA VAL A 13 -20.314 15.606 -11.573 1.00 0.00 C ATOM 185 C VAL A 13 -21.235 16.614 -10.895 1.00 0.00 C ATOM 186 O VAL A 13 -20.781 17.629 -10.366 1.00 0.00 O ATOM 187 CB VAL A 13 -19.721 14.669 -10.504 1.00 0.00 C ATOM 188 CG1 VAL A 13 -20.825 13.900 -9.795 1.00 0.00 C ATOM 189 CG2 VAL A 13 -18.714 13.716 -11.131 1.00 0.00 C ATOM 0 H VAL A 13 -18.740 16.972 -11.799 1.00 0.00 H new ATOM 0 HA VAL A 13 -20.889 15.014 -12.285 1.00 0.00 H new ATOM 0 HB VAL A 13 -19.201 15.276 -9.763 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -20.386 13.243 -9.044 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -21.505 14.602 -9.311 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -21.377 13.303 -10.521 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -18.305 13.061 -10.362 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -19.208 13.115 -11.894 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -17.906 14.289 -11.587 1.00 0.00 H new ATOM 199 N LYS A 14 -22.532 16.327 -10.913 1.00 0.00 N ATOM 200 CA LYS A 14 -23.520 17.206 -10.298 1.00 0.00 C ATOM 201 C LYS A 14 -23.996 16.641 -8.964 1.00 0.00 C ATOM 202 O LYS A 14 -24.529 15.533 -8.902 1.00 0.00 O ATOM 203 CB LYS A 14 -24.713 17.402 -11.237 1.00 0.00 C ATOM 204 CG LYS A 14 -24.461 18.419 -12.336 1.00 0.00 C ATOM 205 CD LYS A 14 -23.712 17.803 -13.506 1.00 0.00 C ATOM 206 CE LYS A 14 -23.698 18.731 -14.711 1.00 0.00 C ATOM 207 NZ LYS A 14 -22.417 18.642 -15.464 1.00 0.00 N ATOM 0 H LYS A 14 -22.924 15.492 -11.347 1.00 0.00 H new ATOM 0 HA LYS A 14 -23.047 18.171 -10.115 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -24.968 16.445 -11.691 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -25.577 17.718 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -25.412 18.823 -12.684 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -23.887 19.254 -11.935 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -22.688 17.579 -13.206 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -24.178 16.857 -13.780 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -24.527 18.479 -15.373 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -23.855 19.758 -14.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.792 19.422 -15.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -21.955 17.734 -15.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.609 18.707 -16.484 1.00 0.00 H new ATOM 221 N THR A 15 -23.802 17.411 -7.897 1.00 0.00 N ATOM 222 CA THR A 15 -24.212 16.987 -6.565 1.00 0.00 C ATOM 223 C THR A 15 -25.714 17.163 -6.370 1.00 0.00 C ATOM 224 O THR A 15 -26.399 17.731 -7.221 1.00 0.00 O ATOM 225 CB THR A 15 -23.468 17.776 -5.471 1.00 0.00 C ATOM 226 OG1 THR A 15 -23.721 19.177 -5.619 1.00 0.00 O ATOM 227 CG2 THR A 15 -21.971 17.516 -5.539 1.00 0.00 C ATOM 0 H THR A 15 -23.363 18.331 -7.930 1.00 0.00 H new ATOM 0 HA THR A 15 -23.958 15.931 -6.477 1.00 0.00 H new ATOM 0 HB THR A 15 -23.835 17.442 -4.501 1.00 0.00 H new ATOM 0 HG1 THR A 15 -23.212 19.523 -6.382 1.00 0.00 H new ATOM 0 HG21 THR A 15 -21.467 18.084 -4.757 1.00 0.00 H new ATOM 0 HG22 THR A 15 -21.780 16.453 -5.396 1.00 0.00 H new ATOM 0 HG23 THR A 15 -21.592 17.825 -6.513 1.00 0.00 H new ATOM 235 N LEU A 16 -26.221 16.673 -5.243 1.00 0.00 N ATOM 236 CA LEU A 16 -27.643 16.777 -4.936 1.00 0.00 C ATOM 237 C LEU A 16 -28.009 18.200 -4.526 1.00 0.00 C ATOM 238 O LEU A 16 -29.131 18.655 -4.752 1.00 0.00 O ATOM 239 CB LEU A 16 -28.016 15.801 -3.819 1.00 0.00 C ATOM 240 CG LEU A 16 -27.254 15.962 -2.504 1.00 0.00 C ATOM 241 CD1 LEU A 16 -28.212 15.924 -1.323 1.00 0.00 C ATOM 242 CD2 LEU A 16 -26.192 14.881 -2.366 1.00 0.00 C ATOM 0 H LEU A 16 -25.668 16.200 -4.528 1.00 0.00 H new ATOM 0 HA LEU A 16 -28.203 16.522 -5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -29.081 15.906 -3.613 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -27.860 14.786 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 16 -26.757 16.932 -2.512 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -27.651 16.040 -0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -28.934 16.735 -1.414 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -28.738 14.969 -1.312 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -25.660 15.012 -1.424 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -26.667 13.900 -2.381 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -25.487 14.956 -3.194 1.00 0.00 H new ATOM 254 N THR A 17 -27.054 18.901 -3.922 1.00 0.00 N ATOM 255 CA THR A 17 -27.275 20.272 -3.482 1.00 0.00 C ATOM 256 C THR A 17 -27.424 21.215 -4.671 1.00 0.00 C ATOM 257 O THR A 17 -28.047 22.270 -4.564 1.00 0.00 O ATOM 258 CB THR A 17 -26.121 20.769 -2.590 1.00 0.00 C ATOM 259 OG1 THR A 17 -26.360 22.122 -2.187 1.00 0.00 O ATOM 260 CG2 THR A 17 -24.792 20.681 -3.325 1.00 0.00 C ATOM 0 H THR A 17 -26.120 18.541 -3.727 1.00 0.00 H new ATOM 0 HA THR A 17 -28.199 20.272 -2.903 1.00 0.00 H new ATOM 0 HB THR A 17 -26.073 20.131 -1.708 1.00 0.00 H new ATOM 0 HG1 THR A 17 -25.623 22.429 -1.619 1.00 0.00 H new ATOM 0 HG21 THR A 17 -23.993 21.037 -2.675 1.00 0.00 H new ATOM 0 HG22 THR A 17 -24.598 19.645 -3.604 1.00 0.00 H new ATOM 0 HG23 THR A 17 -24.831 21.297 -4.223 1.00 0.00 H new ATOM 268 N GLY A 18 -26.849 20.825 -5.805 1.00 0.00 N ATOM 269 CA GLY A 18 -26.930 21.647 -6.998 1.00 0.00 C ATOM 270 C GLY A 18 -25.596 22.264 -7.369 1.00 0.00 C ATOM 271 O GLY A 18 -25.545 23.282 -8.060 1.00 0.00 O ATOM 0 H GLY A 18 -26.329 19.955 -5.918 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -27.290 21.041 -7.829 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -27.662 22.439 -6.841 1.00 0.00 H new ATOM 275 N LYS A 19 -24.513 21.648 -6.910 1.00 0.00 N ATOM 276 CA LYS A 19 -23.171 22.142 -7.197 1.00 0.00 C ATOM 277 C LYS A 19 -22.409 21.163 -8.085 1.00 0.00 C ATOM 278 O LYS A 19 -22.595 19.949 -7.992 1.00 0.00 O ATOM 279 CB LYS A 19 -22.401 22.371 -5.895 1.00 0.00 C ATOM 280 CG LYS A 19 -20.928 22.680 -6.106 1.00 0.00 C ATOM 281 CD LYS A 19 -20.080 21.421 -6.041 1.00 0.00 C ATOM 282 CE LYS A 19 -19.567 21.167 -4.632 1.00 0.00 C ATOM 283 NZ LYS A 19 -20.634 20.635 -3.740 1.00 0.00 N ATOM 0 H LYS A 19 -24.538 20.805 -6.337 1.00 0.00 H new ATOM 0 HA LYS A 19 -23.265 23.089 -7.728 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.862 23.195 -5.350 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.491 21.484 -5.268 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -20.791 23.162 -7.074 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -20.591 23.386 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.669 20.567 -6.374 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -19.237 21.513 -6.725 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.739 20.459 -4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.175 22.095 -4.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.210 20.009 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -21.116 21.425 -3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.323 20.099 -4.305 1.00 0.00 H new ATOM 297 N THR A 20 -21.550 21.698 -8.946 1.00 0.00 N ATOM 298 CA THR A 20 -20.759 20.873 -9.851 1.00 0.00 C ATOM 299 C THR A 20 -19.337 20.696 -9.333 1.00 0.00 C ATOM 300 O THR A 20 -18.619 21.674 -9.117 1.00 0.00 O ATOM 301 CB THR A 20 -20.707 21.480 -11.265 1.00 0.00 C ATOM 302 OG1 THR A 20 -21.905 22.221 -11.525 1.00 0.00 O ATOM 303 CG2 THR A 20 -20.540 20.392 -12.315 1.00 0.00 C ATOM 0 H THR A 20 -21.384 22.700 -9.036 1.00 0.00 H new ATOM 0 HA THR A 20 -21.248 19.900 -9.900 1.00 0.00 H new ATOM 0 HB THR A 20 -19.848 22.149 -11.318 1.00 0.00 H new ATOM 0 HG1 THR A 20 -21.863 22.605 -12.426 1.00 0.00 H new ATOM 0 HG21 THR A 20 -20.506 20.845 -13.306 1.00 0.00 H new ATOM 0 HG22 THR A 20 -19.613 19.849 -12.132 1.00 0.00 H new ATOM 0 HG23 THR A 20 -21.382 19.701 -12.260 1.00 0.00 H new ATOM 311 N ILE A 21 -18.934 19.445 -9.136 1.00 0.00 N ATOM 312 CA ILE A 21 -17.596 19.142 -8.645 1.00 0.00 C ATOM 313 C ILE A 21 -16.803 18.338 -9.670 1.00 0.00 C ATOM 314 O ILE A 21 -17.309 17.372 -10.243 1.00 0.00 O ATOM 315 CB ILE A 21 -17.646 18.358 -7.321 1.00 0.00 C ATOM 316 CG1 ILE A 21 -16.236 17.946 -6.893 1.00 0.00 C ATOM 317 CG2 ILE A 21 -18.541 17.136 -7.463 1.00 0.00 C ATOM 318 CD1 ILE A 21 -15.854 16.550 -7.334 1.00 0.00 C ATOM 0 H ILE A 21 -19.515 18.625 -9.309 1.00 0.00 H new ATOM 0 HA ILE A 21 -17.099 20.097 -8.473 1.00 0.00 H new ATOM 0 HB ILE A 21 -18.065 19.003 -6.549 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -15.518 18.657 -7.303 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -16.162 18.008 -5.807 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -18.566 16.592 -6.519 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -19.550 17.453 -7.726 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -18.149 16.487 -8.246 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -14.842 16.326 -6.996 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -16.549 15.829 -6.903 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -15.895 16.488 -8.421 1.00 0.00 H new ATOM 330 N THR A 22 -15.557 18.741 -9.895 1.00 0.00 N ATOM 331 CA THR A 22 -14.693 18.058 -10.850 1.00 0.00 C ATOM 332 C THR A 22 -13.893 16.950 -10.174 1.00 0.00 C ATOM 333 O THR A 22 -13.155 17.198 -9.219 1.00 0.00 O ATOM 334 CB THR A 22 -13.719 19.039 -11.528 1.00 0.00 C ATOM 335 OG1 THR A 22 -14.365 20.297 -11.750 1.00 0.00 O ATOM 336 CG2 THR A 22 -13.221 18.479 -12.852 1.00 0.00 C ATOM 0 H THR A 22 -15.123 19.538 -9.429 1.00 0.00 H new ATOM 0 HA THR A 22 -15.343 17.622 -11.608 1.00 0.00 H new ATOM 0 HB THR A 22 -12.864 19.182 -10.867 1.00 0.00 H new ATOM 0 HG1 THR A 22 -13.738 20.915 -12.180 1.00 0.00 H new ATOM 0 HG21 THR A 22 -12.534 19.190 -13.312 1.00 0.00 H new ATOM 0 HG22 THR A 22 -12.703 17.536 -12.677 1.00 0.00 H new ATOM 0 HG23 THR A 22 -14.068 18.310 -13.517 1.00 0.00 H new ATOM 344 N LEU A 23 -14.043 15.729 -10.673 1.00 0.00 N ATOM 345 CA LEU A 23 -13.333 14.582 -10.117 1.00 0.00 C ATOM 346 C LEU A 23 -12.356 14.001 -11.134 1.00 0.00 C ATOM 347 O LEU A 23 -12.606 14.035 -12.338 1.00 0.00 O ATOM 348 CB LEU A 23 -14.327 13.507 -9.676 1.00 0.00 C ATOM 349 CG LEU A 23 -13.890 12.630 -8.501 1.00 0.00 C ATOM 350 CD1 LEU A 23 -13.963 13.410 -7.198 1.00 0.00 C ATOM 351 CD2 LEU A 23 -14.748 11.376 -8.423 1.00 0.00 C ATOM 0 H LEU A 23 -14.650 15.507 -11.462 1.00 0.00 H new ATOM 0 HA LEU A 23 -12.767 14.922 -9.250 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -15.265 13.995 -9.410 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -14.534 12.860 -10.529 1.00 0.00 H new ATOM 0 HG LEU A 23 -12.855 12.328 -8.663 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -13.649 12.771 -6.373 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -13.305 14.277 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -14.987 13.742 -7.030 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -14.423 10.764 -7.581 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.792 11.657 -8.285 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -14.645 10.807 -9.347 1.00 0.00 H new ATOM 363 N GLU A 24 -11.243 13.467 -10.640 1.00 0.00 N ATOM 364 CA GLU A 24 -10.229 12.877 -11.507 1.00 0.00 C ATOM 365 C GLU A 24 -10.264 11.354 -11.426 1.00 0.00 C ATOM 366 O GLU A 24 -10.181 10.777 -10.342 1.00 0.00 O ATOM 367 CB GLU A 24 -8.839 13.388 -11.123 1.00 0.00 C ATOM 368 CG GLU A 24 -7.709 12.485 -11.588 1.00 0.00 C ATOM 369 CD GLU A 24 -6.373 13.200 -11.636 1.00 0.00 C ATOM 370 OE1 GLU A 24 -5.850 13.551 -10.557 1.00 0.00 O ATOM 371 OE2 GLU A 24 -5.850 13.408 -12.750 1.00 0.00 O ATOM 0 H GLU A 24 -11.021 13.431 -9.645 1.00 0.00 H new ATOM 0 HA GLU A 24 -10.447 13.174 -12.533 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -8.697 14.382 -11.547 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -8.786 13.493 -10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -7.634 11.628 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.944 12.096 -12.579 1.00 0.00 H new ATOM 378 N VAL A 25 -10.387 10.709 -12.582 1.00 0.00 N ATOM 379 CA VAL A 25 -10.432 9.253 -12.643 1.00 0.00 C ATOM 380 C VAL A 25 -9.748 8.734 -13.903 1.00 0.00 C ATOM 381 O VAL A 25 -9.794 9.373 -14.953 1.00 0.00 O ATOM 382 CB VAL A 25 -11.882 8.734 -12.609 1.00 0.00 C ATOM 383 CG1 VAL A 25 -12.672 9.280 -13.788 1.00 0.00 C ATOM 384 CG2 VAL A 25 -11.903 7.213 -12.600 1.00 0.00 C ATOM 0 H VAL A 25 -10.457 11.172 -13.488 1.00 0.00 H new ATOM 0 HA VAL A 25 -9.901 8.883 -11.766 1.00 0.00 H new ATOM 0 HB VAL A 25 -12.355 9.086 -11.692 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -13.694 8.903 -13.747 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -12.685 10.369 -13.744 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -12.204 8.960 -14.719 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -12.935 6.864 -12.576 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -11.413 6.837 -13.498 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -11.375 6.847 -11.719 1.00 0.00 H new ATOM 394 N GLU A 26 -9.114 7.571 -13.790 1.00 0.00 N ATOM 395 CA GLU A 26 -8.420 6.967 -14.921 1.00 0.00 C ATOM 396 C GLU A 26 -9.406 6.279 -15.860 1.00 0.00 C ATOM 397 O GLU A 26 -10.485 5.842 -15.457 1.00 0.00 O ATOM 398 CB GLU A 26 -7.379 5.959 -14.430 1.00 0.00 C ATOM 399 CG GLU A 26 -6.560 6.456 -13.250 1.00 0.00 C ATOM 400 CD GLU A 26 -5.539 5.439 -12.779 1.00 0.00 C ATOM 401 OE1 GLU A 26 -5.457 4.353 -13.390 1.00 0.00 O ATOM 402 OE2 GLU A 26 -4.822 5.729 -11.798 1.00 0.00 O ATOM 0 H GLU A 26 -9.067 7.029 -12.927 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.915 7.761 -15.471 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.885 5.036 -14.147 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -6.706 5.715 -15.252 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.048 7.377 -13.530 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.229 6.702 -12.426 1.00 0.00 H new ATOM 409 N PRO A 27 -9.030 6.179 -17.144 1.00 0.00 N ATOM 410 CA PRO A 27 -9.866 5.546 -18.167 1.00 0.00 C ATOM 411 C PRO A 27 -9.969 4.036 -17.979 1.00 0.00 C ATOM 412 O PRO A 27 -10.897 3.400 -18.479 1.00 0.00 O ATOM 413 CB PRO A 27 -9.138 5.873 -19.473 1.00 0.00 C ATOM 414 CG PRO A 27 -7.718 6.079 -19.073 1.00 0.00 C ATOM 415 CD PRO A 27 -7.758 6.678 -17.694 1.00 0.00 C ATOM 0 HA PRO A 27 -10.894 5.908 -18.134 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.233 5.060 -20.193 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.550 6.766 -19.943 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -7.172 5.136 -19.073 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -7.208 6.742 -19.772 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -6.907 6.359 -17.092 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.734 7.767 -17.728 1.00 0.00 H new ATOM 423 N SER A 28 -9.011 3.468 -17.253 1.00 0.00 N ATOM 424 CA SER A 28 -8.993 2.032 -17.001 1.00 0.00 C ATOM 425 C SER A 28 -9.550 1.716 -15.616 1.00 0.00 C ATOM 426 O SER A 28 -9.867 0.567 -15.310 1.00 0.00 O ATOM 427 CB SER A 28 -7.568 1.489 -17.126 1.00 0.00 C ATOM 428 OG SER A 28 -6.612 2.523 -16.964 1.00 0.00 O ATOM 0 H SER A 28 -8.238 3.980 -16.829 1.00 0.00 H new ATOM 0 HA SER A 28 -9.625 1.549 -17.746 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.403 0.716 -16.375 1.00 0.00 H new ATOM 0 HB3 SER A 28 -7.439 1.019 -18.101 1.00 0.00 H new ATOM 0 HG SER A 28 -5.710 2.150 -17.047 1.00 0.00 H new ATOM 434 N ASP A 29 -9.666 2.745 -14.784 1.00 0.00 N ATOM 435 CA ASP A 29 -10.186 2.579 -13.431 1.00 0.00 C ATOM 436 C ASP A 29 -11.671 2.231 -13.459 1.00 0.00 C ATOM 437 O ASP A 29 -12.337 2.385 -14.483 1.00 0.00 O ATOM 438 CB ASP A 29 -9.963 3.854 -12.617 1.00 0.00 C ATOM 439 CG ASP A 29 -8.576 3.918 -12.008 1.00 0.00 C ATOM 440 OD1 ASP A 29 -7.795 2.964 -12.210 1.00 0.00 O ATOM 441 OD2 ASP A 29 -8.271 4.921 -11.329 1.00 0.00 O ATOM 0 H ASP A 29 -9.407 3.702 -15.022 1.00 0.00 H new ATOM 0 HA ASP A 29 -9.648 1.757 -12.959 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -10.115 4.722 -13.258 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -10.708 3.910 -11.823 1.00 0.00 H new ATOM 446 N THR A 30 -12.184 1.759 -12.327 1.00 0.00 N ATOM 447 CA THR A 30 -13.589 1.387 -12.221 1.00 0.00 C ATOM 448 C THR A 30 -14.350 2.359 -11.326 1.00 0.00 C ATOM 449 O THR A 30 -13.752 3.223 -10.684 1.00 0.00 O ATOM 450 CB THR A 30 -13.752 -0.040 -11.665 1.00 0.00 C ATOM 451 OG1 THR A 30 -13.122 -0.141 -10.383 1.00 0.00 O ATOM 452 CG2 THR A 30 -13.147 -1.063 -12.614 1.00 0.00 C ATOM 0 H THR A 30 -11.647 1.625 -11.470 1.00 0.00 H new ATOM 0 HA THR A 30 -14.003 1.426 -13.229 1.00 0.00 H new ATOM 0 HB THR A 30 -14.817 -0.247 -11.564 1.00 0.00 H new ATOM 0 HG1 THR A 30 -13.232 -1.051 -10.035 1.00 0.00 H new ATOM 0 HG21 THR A 30 -13.274 -2.063 -12.200 1.00 0.00 H new ATOM 0 HG22 THR A 30 -13.648 -1.004 -13.580 1.00 0.00 H new ATOM 0 HG23 THR A 30 -12.085 -0.856 -12.743 1.00 0.00 H new ATOM 460 N ILE A 31 -15.670 2.212 -11.288 1.00 0.00 N ATOM 461 CA ILE A 31 -16.511 3.076 -10.470 1.00 0.00 C ATOM 462 C ILE A 31 -16.024 3.109 -9.026 1.00 0.00 C ATOM 463 O ILE A 31 -16.215 4.099 -8.319 1.00 0.00 O ATOM 464 CB ILE A 31 -17.981 2.617 -10.495 1.00 0.00 C ATOM 465 CG1 ILE A 31 -18.482 2.514 -11.937 1.00 0.00 C ATOM 466 CG2 ILE A 31 -18.849 3.577 -9.694 1.00 0.00 C ATOM 467 CD1 ILE A 31 -18.343 3.802 -12.718 1.00 0.00 C ATOM 0 H ILE A 31 -16.180 1.503 -11.814 1.00 0.00 H new ATOM 0 HA ILE A 31 -16.445 4.077 -10.896 1.00 0.00 H new ATOM 0 HB ILE A 31 -18.046 1.630 -10.037 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -17.930 1.726 -12.450 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -19.530 2.215 -11.929 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -19.885 3.240 -9.721 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -18.503 3.605 -8.661 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -18.781 4.575 -10.126 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -18.718 3.655 -13.731 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -18.918 4.588 -12.229 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -17.293 4.092 -12.758 1.00 0.00 H new ATOM 479 N GLU A 32 -15.393 2.022 -8.594 1.00 0.00 N ATOM 480 CA GLU A 32 -14.878 1.928 -7.233 1.00 0.00 C ATOM 481 C GLU A 32 -13.801 2.980 -6.985 1.00 0.00 C ATOM 482 O GLU A 32 -13.670 3.500 -5.878 1.00 0.00 O ATOM 483 CB GLU A 32 -14.310 0.531 -6.975 1.00 0.00 C ATOM 484 CG GLU A 32 -15.303 -0.589 -7.239 1.00 0.00 C ATOM 485 CD GLU A 32 -16.172 -0.894 -6.035 1.00 0.00 C ATOM 486 OE1 GLU A 32 -16.834 0.037 -5.530 1.00 0.00 O ATOM 487 OE2 GLU A 32 -16.191 -2.063 -5.597 1.00 0.00 O ATOM 0 H GLU A 32 -15.226 1.194 -9.166 1.00 0.00 H new ATOM 0 HA GLU A 32 -15.704 2.110 -6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -13.433 0.383 -7.605 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -13.974 0.470 -5.940 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -15.939 -0.315 -8.081 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.761 -1.489 -7.529 1.00 0.00 H new ATOM 494 N ASN A 33 -13.033 3.289 -8.025 1.00 0.00 N ATOM 495 CA ASN A 33 -11.967 4.278 -7.920 1.00 0.00 C ATOM 496 C ASN A 33 -12.536 5.694 -7.922 1.00 0.00 C ATOM 497 O ASN A 33 -11.961 6.607 -7.330 1.00 0.00 O ATOM 498 CB ASN A 33 -10.975 4.114 -9.074 1.00 0.00 C ATOM 499 CG ASN A 33 -9.541 4.005 -8.592 1.00 0.00 C ATOM 500 OD1 ASN A 33 -9.080 2.926 -8.220 1.00 0.00 O ATOM 501 ND2 ASN A 33 -8.829 5.126 -8.598 1.00 0.00 N ATOM 0 H ASN A 33 -13.129 2.869 -8.949 1.00 0.00 H new ATOM 0 HA ASN A 33 -11.447 4.116 -6.976 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -11.232 3.223 -9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -11.065 4.964 -9.750 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -7.858 5.115 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -9.253 5.998 -8.915 1.00 0.00 H new ATOM 508 N VAL A 34 -13.671 5.869 -8.592 1.00 0.00 N ATOM 509 CA VAL A 34 -14.320 7.172 -8.670 1.00 0.00 C ATOM 510 C VAL A 34 -14.800 7.630 -7.298 1.00 0.00 C ATOM 511 O VAL A 34 -14.513 8.747 -6.867 1.00 0.00 O ATOM 512 CB VAL A 34 -15.517 7.146 -9.639 1.00 0.00 C ATOM 513 CG1 VAL A 34 -16.198 8.505 -9.682 1.00 0.00 C ATOM 514 CG2 VAL A 34 -15.068 6.721 -11.029 1.00 0.00 C ATOM 0 H VAL A 34 -14.160 5.124 -9.089 1.00 0.00 H new ATOM 0 HA VAL A 34 -13.575 7.875 -9.044 1.00 0.00 H new ATOM 0 HB VAL A 34 -16.240 6.415 -9.277 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -17.041 8.468 -10.372 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -16.555 8.765 -8.686 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -15.486 9.258 -10.020 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -15.926 6.708 -11.701 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -14.325 7.426 -11.403 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -14.630 5.724 -10.981 1.00 0.00 H new ATOM 524 N LYS A 35 -15.534 6.759 -6.613 1.00 0.00 N ATOM 525 CA LYS A 35 -16.054 7.071 -5.287 1.00 0.00 C ATOM 526 C LYS A 35 -14.920 7.397 -4.320 1.00 0.00 C ATOM 527 O LYS A 35 -15.103 8.151 -3.365 1.00 0.00 O ATOM 528 CB LYS A 35 -16.876 5.897 -4.750 1.00 0.00 C ATOM 529 CG LYS A 35 -16.146 4.566 -4.810 1.00 0.00 C ATOM 530 CD LYS A 35 -16.766 3.548 -3.868 1.00 0.00 C ATOM 531 CE LYS A 35 -16.169 3.644 -2.472 1.00 0.00 C ATOM 532 NZ LYS A 35 -16.091 2.313 -1.809 1.00 0.00 N ATOM 0 H LYS A 35 -15.782 5.831 -6.955 1.00 0.00 H new ATOM 0 HA LYS A 35 -16.697 7.947 -5.373 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -17.155 6.102 -3.717 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -17.801 5.821 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -16.171 4.182 -5.830 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -15.098 4.713 -4.550 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -17.843 3.708 -3.816 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -16.611 2.544 -4.263 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -15.171 4.078 -2.533 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -16.773 4.318 -1.864 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -15.891 2.441 -0.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -16.997 1.815 -1.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -15.331 1.752 -2.244 1.00 0.00 H new ATOM 546 N ALA A 36 -13.748 6.825 -4.576 1.00 0.00 N ATOM 547 CA ALA A 36 -12.584 7.057 -3.730 1.00 0.00 C ATOM 548 C ALA A 36 -12.282 8.547 -3.610 1.00 0.00 C ATOM 549 O ALA A 36 -11.990 9.046 -2.523 1.00 0.00 O ATOM 550 CB ALA A 36 -11.375 6.314 -4.280 1.00 0.00 C ATOM 0 H ALA A 36 -13.580 6.198 -5.362 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.808 6.676 -2.733 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.513 6.496 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.587 5.245 -4.308 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.158 6.668 -5.288 1.00 0.00 H new ATOM 556 N LYS A 37 -12.352 9.253 -4.733 1.00 0.00 N ATOM 557 CA LYS A 37 -12.087 10.686 -4.755 1.00 0.00 C ATOM 558 C LYS A 37 -13.266 11.467 -4.182 1.00 0.00 C ATOM 559 O LYS A 37 -13.089 12.534 -3.595 1.00 0.00 O ATOM 560 CB LYS A 37 -11.800 11.152 -6.184 1.00 0.00 C ATOM 561 CG LYS A 37 -10.431 10.737 -6.696 1.00 0.00 C ATOM 562 CD LYS A 37 -10.493 9.419 -7.450 1.00 0.00 C ATOM 563 CE LYS A 37 -9.118 8.780 -7.568 1.00 0.00 C ATOM 564 NZ LYS A 37 -8.502 9.032 -8.900 1.00 0.00 N ATOM 0 H LYS A 37 -12.591 8.855 -5.641 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.211 10.877 -4.135 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.564 10.750 -6.849 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.880 12.238 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.036 11.514 -7.351 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.741 10.645 -5.858 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -11.170 8.736 -6.937 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -10.904 9.587 -8.445 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.467 9.172 -6.787 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.201 7.706 -7.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.535 8.161 -9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.028 9.785 -9.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -7.512 9.326 -8.775 1.00 0.00 H new ATOM 578 N ILE A 38 -14.467 10.926 -4.356 1.00 0.00 N ATOM 579 CA ILE A 38 -15.674 11.571 -3.853 1.00 0.00 C ATOM 580 C ILE A 38 -15.643 11.687 -2.333 1.00 0.00 C ATOM 581 O ILE A 38 -16.199 12.624 -1.761 1.00 0.00 O ATOM 582 CB ILE A 38 -16.940 10.801 -4.273 1.00 0.00 C ATOM 583 CG1 ILE A 38 -17.034 10.724 -5.798 1.00 0.00 C ATOM 584 CG2 ILE A 38 -18.180 11.465 -3.693 1.00 0.00 C ATOM 585 CD1 ILE A 38 -17.175 12.075 -6.464 1.00 0.00 C ATOM 0 H ILE A 38 -14.630 10.044 -4.841 1.00 0.00 H new ATOM 0 HA ILE A 38 -15.704 12.569 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 38 -16.878 9.786 -3.880 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -16.143 10.229 -6.184 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -17.887 10.103 -6.070 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -19.067 10.910 -3.998 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.113 11.473 -2.605 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -18.249 12.489 -4.059 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -17.236 11.943 -7.544 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -18.081 12.564 -6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -16.310 12.692 -6.222 1.00 0.00 H new ATOM 597 N GLN A 39 -14.989 10.728 -1.685 1.00 0.00 N ATOM 598 CA GLN A 39 -14.885 10.724 -0.231 1.00 0.00 C ATOM 599 C GLN A 39 -14.329 12.049 0.279 1.00 0.00 C ATOM 600 O GLN A 39 -14.735 12.539 1.333 1.00 0.00 O ATOM 601 CB GLN A 39 -13.994 9.570 0.234 1.00 0.00 C ATOM 602 CG GLN A 39 -14.638 8.202 0.076 1.00 0.00 C ATOM 603 CD GLN A 39 -13.635 7.070 0.181 1.00 0.00 C ATOM 604 OE1 GLN A 39 -12.425 7.294 0.162 1.00 0.00 O ATOM 605 NE2 GLN A 39 -14.135 5.845 0.293 1.00 0.00 N ATOM 0 H GLN A 39 -14.524 9.945 -2.144 1.00 0.00 H new ATOM 0 HA GLN A 39 -15.886 10.590 0.179 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -13.062 9.591 -0.331 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.735 9.722 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -15.405 8.075 0.840 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -15.139 8.150 -0.890 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -15.145 5.706 0.305 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -13.509 5.043 0.368 1.00 0.00 H new ATOM 614 N ASP A 40 -13.398 12.624 -0.474 1.00 0.00 N ATOM 615 CA ASP A 40 -12.787 13.893 -0.099 1.00 0.00 C ATOM 616 C ASP A 40 -13.720 15.059 -0.410 1.00 0.00 C ATOM 617 O ASP A 40 -13.617 16.128 0.192 1.00 0.00 O ATOM 618 CB ASP A 40 -11.457 14.079 -0.831 1.00 0.00 C ATOM 619 CG ASP A 40 -10.593 15.153 -0.199 1.00 0.00 C ATOM 620 OD1 ASP A 40 -10.724 16.329 -0.598 1.00 0.00 O ATOM 621 OD2 ASP A 40 -9.787 14.818 0.693 1.00 0.00 O ATOM 0 H ASP A 40 -13.050 12.231 -1.348 1.00 0.00 H new ATOM 0 HA ASP A 40 -12.603 13.875 0.975 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.913 13.135 -0.835 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -11.652 14.339 -1.871 1.00 0.00 H new ATOM 626 N LYS A 41 -14.630 14.846 -1.354 1.00 0.00 N ATOM 627 CA LYS A 41 -15.583 15.878 -1.746 1.00 0.00 C ATOM 628 C LYS A 41 -16.722 15.979 -0.736 1.00 0.00 C ATOM 629 O LYS A 41 -17.029 17.062 -0.240 1.00 0.00 O ATOM 630 CB LYS A 41 -16.145 15.580 -3.137 1.00 0.00 C ATOM 631 CG LYS A 41 -15.088 15.159 -4.143 1.00 0.00 C ATOM 632 CD LYS A 41 -14.122 16.292 -4.444 1.00 0.00 C ATOM 633 CE LYS A 41 -12.891 16.227 -3.553 1.00 0.00 C ATOM 634 NZ LYS A 41 -11.750 16.994 -4.125 1.00 0.00 N ATOM 0 H LYS A 41 -14.728 13.967 -1.862 1.00 0.00 H new ATOM 0 HA LYS A 41 -15.057 16.833 -1.770 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -16.892 14.791 -3.056 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -16.657 16.467 -3.510 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.536 14.303 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.571 14.836 -5.066 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -13.818 16.244 -5.490 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.625 17.248 -4.301 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.136 16.622 -2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -12.597 15.186 -3.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -10.931 16.925 -3.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -11.499 16.602 -5.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.022 17.992 -4.232 1.00 0.00 H new ATOM 648 N GLU A 42 -17.343 14.842 -0.436 1.00 0.00 N ATOM 649 CA GLU A 42 -18.447 14.804 0.515 1.00 0.00 C ATOM 650 C GLU A 42 -18.150 13.834 1.655 1.00 0.00 C ATOM 651 O GLU A 42 -18.535 14.068 2.800 1.00 0.00 O ATOM 652 CB GLU A 42 -19.743 14.397 -0.190 1.00 0.00 C ATOM 653 CG GLU A 42 -20.309 15.479 -1.095 1.00 0.00 C ATOM 654 CD GLU A 42 -20.554 16.783 -0.362 1.00 0.00 C ATOM 655 OE1 GLU A 42 -21.054 16.736 0.782 1.00 0.00 O ATOM 656 OE2 GLU A 42 -20.247 17.851 -0.931 1.00 0.00 O ATOM 0 H GLU A 42 -17.100 13.936 -0.838 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.567 15.804 0.933 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.559 13.500 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -20.489 14.136 0.561 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -19.619 15.655 -1.920 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -21.245 15.130 -1.531 1.00 0.00 H new ATOM 663 N GLY A 43 -17.462 12.743 1.333 1.00 0.00 N ATOM 664 CA GLY A 43 -17.125 11.754 2.339 1.00 0.00 C ATOM 665 C GLY A 43 -18.319 10.916 2.752 1.00 0.00 C ATOM 666 O GLY A 43 -18.874 11.106 3.834 1.00 0.00 O ATOM 0 H GLY A 43 -17.132 12.527 0.392 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -16.342 11.100 1.954 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -16.717 12.257 3.216 1.00 0.00 H new ATOM 670 N ILE A 44 -18.716 9.989 1.887 1.00 0.00 N ATOM 671 CA ILE A 44 -19.852 9.120 2.167 1.00 0.00 C ATOM 672 C ILE A 44 -19.461 7.650 2.060 1.00 0.00 C ATOM 673 O ILE A 44 -18.546 7.279 1.325 1.00 0.00 O ATOM 674 CB ILE A 44 -21.024 9.399 1.208 1.00 0.00 C ATOM 675 CG1 ILE A 44 -20.530 9.436 -0.239 1.00 0.00 C ATOM 676 CG2 ILE A 44 -21.708 10.708 1.573 1.00 0.00 C ATOM 677 CD1 ILE A 44 -21.630 9.683 -1.248 1.00 0.00 C ATOM 0 H ILE A 44 -18.268 9.820 0.986 1.00 0.00 H new ATOM 0 HA ILE A 44 -20.169 9.335 3.188 1.00 0.00 H new ATOM 0 HB ILE A 44 -21.751 8.593 1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -19.776 10.217 -0.337 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -20.041 8.490 -0.471 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -22.534 10.891 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -22.090 10.647 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -20.990 11.525 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -21.206 9.696 -2.252 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -22.373 8.888 -1.178 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -22.104 10.642 -1.042 1.00 0.00 H new ATOM 689 N PRO A 45 -20.170 6.793 2.808 1.00 0.00 N ATOM 690 CA PRO A 45 -19.916 5.349 2.813 1.00 0.00 C ATOM 691 C PRO A 45 -20.316 4.686 1.499 1.00 0.00 C ATOM 692 O PRO A 45 -20.995 5.277 0.659 1.00 0.00 O ATOM 693 CB PRO A 45 -20.793 4.838 3.959 1.00 0.00 C ATOM 694 CG PRO A 45 -21.887 5.843 4.076 1.00 0.00 C ATOM 695 CD PRO A 45 -21.274 7.166 3.708 1.00 0.00 C ATOM 0 HA PRO A 45 -18.857 5.122 2.935 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -21.189 3.846 3.743 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -20.226 4.760 4.887 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -22.715 5.598 3.411 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -22.288 5.867 5.089 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -21.993 7.818 3.212 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -20.913 7.700 4.587 1.00 0.00 H new ATOM 703 N PRO A 46 -19.887 3.428 1.315 1.00 0.00 N ATOM 704 CA PRO A 46 -20.190 2.658 0.106 1.00 0.00 C ATOM 705 C PRO A 46 -21.663 2.273 0.018 1.00 0.00 C ATOM 706 O PRO A 46 -22.174 1.979 -1.063 1.00 0.00 O ATOM 707 CB PRO A 46 -19.319 1.408 0.254 1.00 0.00 C ATOM 708 CG PRO A 46 -19.110 1.264 1.722 1.00 0.00 C ATOM 709 CD PRO A 46 -19.074 2.662 2.274 1.00 0.00 C ATOM 0 HA PRO A 46 -19.991 3.228 -0.801 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -19.812 0.530 -0.164 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -18.371 1.522 -0.272 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -19.915 0.686 2.176 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -18.180 0.737 1.934 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -19.490 2.708 3.280 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -18.055 3.045 2.333 1.00 0.00 H new ATOM 717 N ASP A 47 -22.340 2.276 1.161 1.00 0.00 N ATOM 718 CA ASP A 47 -23.755 1.928 1.212 1.00 0.00 C ATOM 719 C ASP A 47 -24.612 3.053 0.640 1.00 0.00 C ATOM 720 O ASP A 47 -25.608 2.803 -0.039 1.00 0.00 O ATOM 721 CB ASP A 47 -24.177 1.630 2.652 1.00 0.00 C ATOM 722 CG ASP A 47 -23.332 0.545 3.290 1.00 0.00 C ATOM 723 OD1 ASP A 47 -22.927 -0.391 2.570 1.00 0.00 O ATOM 724 OD2 ASP A 47 -23.076 0.632 4.509 1.00 0.00 O ATOM 0 H ASP A 47 -21.932 2.516 2.065 1.00 0.00 H new ATOM 0 HA ASP A 47 -23.907 1.035 0.605 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -24.102 2.541 3.246 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -25.224 1.326 2.665 1.00 0.00 H new ATOM 729 N GLN A 48 -24.219 4.291 0.921 1.00 0.00 N ATOM 730 CA GLN A 48 -24.953 5.454 0.436 1.00 0.00 C ATOM 731 C GLN A 48 -24.359 5.965 -0.872 1.00 0.00 C ATOM 732 O GLN A 48 -25.046 6.608 -1.666 1.00 0.00 O ATOM 733 CB GLN A 48 -24.939 6.567 1.486 1.00 0.00 C ATOM 734 CG GLN A 48 -25.340 6.098 2.875 1.00 0.00 C ATOM 735 CD GLN A 48 -25.109 7.154 3.937 1.00 0.00 C ATOM 736 OE1 GLN A 48 -25.152 8.353 3.657 1.00 0.00 O ATOM 737 NE2 GLN A 48 -24.862 6.715 5.166 1.00 0.00 N ATOM 0 H GLN A 48 -23.397 4.515 1.482 1.00 0.00 H new ATOM 0 HA GLN A 48 -25.984 5.151 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -23.939 6.999 1.532 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -25.615 7.361 1.170 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -26.393 5.818 2.870 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -24.773 5.202 3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -24.836 5.713 5.354 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -24.699 7.380 5.922 1.00 0.00 H new ATOM 746 N GLN A 49 -23.080 5.676 -1.089 1.00 0.00 N ATOM 747 CA GLN A 49 -22.394 6.109 -2.301 1.00 0.00 C ATOM 748 C GLN A 49 -22.968 5.410 -3.529 1.00 0.00 C ATOM 749 O GLN A 49 -22.917 4.185 -3.639 1.00 0.00 O ATOM 750 CB GLN A 49 -20.895 5.826 -2.192 1.00 0.00 C ATOM 751 CG GLN A 49 -20.111 6.216 -3.435 1.00 0.00 C ATOM 752 CD GLN A 49 -19.988 7.718 -3.599 1.00 0.00 C ATOM 753 OE1 GLN A 49 -19.071 8.340 -3.061 1.00 0.00 O ATOM 754 NE2 GLN A 49 -20.914 8.311 -4.344 1.00 0.00 N ATOM 0 H GLN A 49 -22.498 5.144 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 49 -22.546 7.183 -2.412 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -20.493 6.366 -1.335 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -20.747 4.764 -1.998 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -19.115 5.777 -3.384 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -20.600 5.797 -4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -21.656 7.757 -4.771 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -20.883 9.320 -4.489 1.00 0.00 H new ATOM 763 N ARG A 50 -23.515 6.197 -4.450 1.00 0.00 N ATOM 764 CA ARG A 50 -24.100 5.654 -5.670 1.00 0.00 C ATOM 765 C ARG A 50 -23.954 6.638 -6.828 1.00 0.00 C ATOM 766 O ARG A 50 -24.482 7.750 -6.781 1.00 0.00 O ATOM 767 CB ARG A 50 -25.577 5.324 -5.449 1.00 0.00 C ATOM 768 CG ARG A 50 -25.806 4.155 -4.506 1.00 0.00 C ATOM 769 CD ARG A 50 -25.411 2.835 -5.150 1.00 0.00 C ATOM 770 NE ARG A 50 -26.526 2.217 -5.861 1.00 0.00 N ATOM 771 CZ ARG A 50 -26.560 0.934 -6.202 1.00 0.00 C ATOM 772 NH1 ARG A 50 -25.545 0.136 -5.898 1.00 0.00 N ATOM 773 NH2 ARG A 50 -27.611 0.445 -6.849 1.00 0.00 N ATOM 0 H ARG A 50 -23.565 7.213 -4.374 1.00 0.00 H new ATOM 0 HA ARG A 50 -23.565 4.739 -5.924 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -26.082 6.205 -5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -26.038 5.099 -6.411 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -25.228 4.303 -3.594 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -26.856 4.120 -4.216 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -24.587 3.003 -5.844 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -25.047 2.152 -4.382 1.00 0.00 H new ATOM 0 HE ARG A 50 -27.323 2.803 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -24.735 0.507 -5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -25.574 -0.849 -6.161 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -28.394 1.055 -7.085 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -27.636 -0.541 -7.110 1.00 0.00 H new ATOM 787 N LEU A 51 -23.235 6.221 -7.864 1.00 0.00 N ATOM 788 CA LEU A 51 -23.020 7.065 -9.034 1.00 0.00 C ATOM 789 C LEU A 51 -24.029 6.742 -10.132 1.00 0.00 C ATOM 790 O LEU A 51 -24.361 5.579 -10.360 1.00 0.00 O ATOM 791 CB LEU A 51 -21.597 6.882 -9.564 1.00 0.00 C ATOM 792 CG LEU A 51 -20.503 7.661 -8.833 1.00 0.00 C ATOM 793 CD1 LEU A 51 -20.785 9.154 -8.885 1.00 0.00 C ATOM 794 CD2 LEU A 51 -20.384 7.188 -7.392 1.00 0.00 C ATOM 0 H LEU A 51 -22.791 5.304 -7.918 1.00 0.00 H new ATOM 0 HA LEU A 51 -23.159 8.103 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -21.349 5.821 -9.523 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -21.582 7.172 -10.614 1.00 0.00 H new ATOM 0 HG LEU A 51 -19.554 7.474 -9.335 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -19.996 9.692 -8.360 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -20.818 9.482 -9.924 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -21.744 9.360 -8.409 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -19.601 7.753 -6.887 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -21.333 7.344 -6.878 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -20.133 6.127 -7.377 1.00 0.00 H new ATOM 806 N ILE A 52 -24.510 7.779 -10.809 1.00 0.00 N ATOM 807 CA ILE A 52 -25.478 7.605 -11.885 1.00 0.00 C ATOM 808 C ILE A 52 -24.905 8.065 -13.220 1.00 0.00 C ATOM 809 O ILE A 52 -24.128 9.019 -13.279 1.00 0.00 O ATOM 810 CB ILE A 52 -26.779 8.380 -11.603 1.00 0.00 C ATOM 811 CG1 ILE A 52 -27.257 8.114 -10.174 1.00 0.00 C ATOM 812 CG2 ILE A 52 -27.854 7.995 -12.608 1.00 0.00 C ATOM 813 CD1 ILE A 52 -27.491 6.649 -9.878 1.00 0.00 C ATOM 0 H ILE A 52 -24.245 8.748 -10.632 1.00 0.00 H new ATOM 0 HA ILE A 52 -25.703 6.540 -11.937 1.00 0.00 H new ATOM 0 HB ILE A 52 -26.579 9.446 -11.706 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -26.518 8.504 -9.474 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -28.182 8.664 -10.001 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -28.767 8.551 -12.395 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -27.512 8.231 -13.615 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -28.055 6.926 -12.534 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -27.828 6.535 -8.848 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -28.252 6.258 -10.554 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -26.562 6.096 -10.019 1.00 0.00 H new ATOM 825 N PHE A 53 -25.293 7.382 -14.292 1.00 0.00 N ATOM 826 CA PHE A 53 -24.819 7.722 -15.629 1.00 0.00 C ATOM 827 C PHE A 53 -25.938 7.579 -16.656 1.00 0.00 C ATOM 828 O PHE A 53 -26.424 6.478 -16.911 1.00 0.00 O ATOM 829 CB PHE A 53 -23.639 6.828 -16.016 1.00 0.00 C ATOM 830 CG PHE A 53 -23.016 7.193 -17.333 1.00 0.00 C ATOM 831 CD1 PHE A 53 -22.087 8.218 -17.415 1.00 0.00 C ATOM 832 CD2 PHE A 53 -23.360 6.512 -18.489 1.00 0.00 C ATOM 833 CE1 PHE A 53 -21.514 8.557 -18.626 1.00 0.00 C ATOM 834 CE2 PHE A 53 -22.790 6.846 -19.703 1.00 0.00 C ATOM 835 CZ PHE A 53 -21.865 7.869 -19.771 1.00 0.00 C ATOM 0 H PHE A 53 -25.935 6.590 -14.261 1.00 0.00 H new ATOM 0 HA PHE A 53 -24.491 8.761 -15.618 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -22.880 6.885 -15.236 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -23.977 5.792 -16.058 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -21.808 8.758 -16.522 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -24.082 5.710 -18.441 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -20.793 9.359 -18.677 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -23.068 6.308 -20.597 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.417 8.131 -20.718 1.00 0.00 H new ATOM 845 N ALA A 54 -26.341 8.701 -17.242 1.00 0.00 N ATOM 846 CA ALA A 54 -27.401 8.702 -18.242 1.00 0.00 C ATOM 847 C ALA A 54 -28.677 8.074 -17.691 1.00 0.00 C ATOM 848 O ALA A 54 -29.447 7.461 -18.429 1.00 0.00 O ATOM 849 CB ALA A 54 -26.946 7.967 -19.494 1.00 0.00 C ATOM 0 H ALA A 54 -25.949 9.621 -17.041 1.00 0.00 H new ATOM 0 HA ALA A 54 -27.621 9.738 -18.502 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -27.748 7.976 -20.232 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -26.067 8.462 -19.907 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -26.697 6.936 -19.241 1.00 0.00 H new ATOM 855 N GLY A 55 -28.893 8.231 -16.389 1.00 0.00 N ATOM 856 CA GLY A 55 -30.077 7.672 -15.761 1.00 0.00 C ATOM 857 C GLY A 55 -29.861 6.252 -15.277 1.00 0.00 C ATOM 858 O GLY A 55 -30.673 5.714 -14.524 1.00 0.00 O ATOM 0 H GLY A 55 -28.270 8.735 -15.758 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -30.368 8.299 -14.919 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -30.904 7.689 -16.471 1.00 0.00 H new ATOM 862 N LYS A 56 -28.763 5.641 -15.711 1.00 0.00 N ATOM 863 CA LYS A 56 -28.442 4.275 -15.319 1.00 0.00 C ATOM 864 C LYS A 56 -27.418 4.260 -14.188 1.00 0.00 C ATOM 865 O LYS A 56 -26.342 4.844 -14.306 1.00 0.00 O ATOM 866 CB LYS A 56 -27.904 3.491 -16.518 1.00 0.00 C ATOM 867 CG LYS A 56 -27.369 2.116 -16.156 1.00 0.00 C ATOM 868 CD LYS A 56 -26.940 1.341 -17.391 1.00 0.00 C ATOM 869 CE LYS A 56 -26.357 -0.014 -17.023 1.00 0.00 C ATOM 870 NZ LYS A 56 -25.549 -0.590 -18.134 1.00 0.00 N ATOM 0 H LYS A 56 -28.081 6.072 -16.335 1.00 0.00 H new ATOM 0 HA LYS A 56 -29.357 3.801 -14.964 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -28.699 3.380 -17.255 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -27.109 4.068 -16.991 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -26.521 2.221 -15.479 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -28.136 1.555 -15.622 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -27.796 1.203 -18.051 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -26.200 1.918 -17.945 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -25.733 0.088 -16.135 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -27.165 -0.700 -16.768 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -25.169 -1.514 -17.844 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -26.150 -0.711 -18.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -24.763 0.052 -18.361 1.00 0.00 H new ATOM 884 N GLN A 57 -27.761 3.587 -13.094 1.00 0.00 N ATOM 885 CA GLN A 57 -26.871 3.496 -11.943 1.00 0.00 C ATOM 886 C GLN A 57 -25.600 2.731 -12.297 1.00 0.00 C ATOM 887 O GLN A 57 -25.644 1.730 -13.013 1.00 0.00 O ATOM 888 CB GLN A 57 -27.582 2.813 -10.774 1.00 0.00 C ATOM 889 CG GLN A 57 -28.242 1.496 -11.149 1.00 0.00 C ATOM 890 CD GLN A 57 -29.724 1.645 -11.433 1.00 0.00 C ATOM 891 OE1 GLN A 57 -30.382 2.540 -10.902 1.00 0.00 O ATOM 892 NE2 GLN A 57 -30.257 0.768 -12.275 1.00 0.00 N ATOM 0 H GLN A 57 -28.648 3.097 -12.981 1.00 0.00 H new ATOM 0 HA GLN A 57 -26.594 4.508 -11.649 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -26.862 2.634 -9.976 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -28.339 3.488 -10.375 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -27.747 1.084 -12.028 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -28.101 0.780 -10.339 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -29.674 0.042 -12.692 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -31.249 0.820 -12.505 1.00 0.00 H new ATOM 901 N LEU A 58 -24.468 3.208 -11.792 1.00 0.00 N ATOM 902 CA LEU A 58 -23.183 2.569 -12.055 1.00 0.00 C ATOM 903 C LEU A 58 -22.788 1.647 -10.905 1.00 0.00 C ATOM 904 O LEU A 58 -23.299 1.773 -9.793 1.00 0.00 O ATOM 905 CB LEU A 58 -22.100 3.627 -12.270 1.00 0.00 C ATOM 906 CG LEU A 58 -22.424 4.722 -13.287 1.00 0.00 C ATOM 907 CD1 LEU A 58 -21.378 5.825 -13.235 1.00 0.00 C ATOM 908 CD2 LEU A 58 -22.516 4.138 -14.689 1.00 0.00 C ATOM 0 H LEU A 58 -24.413 4.035 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 58 -23.281 1.969 -12.960 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -21.887 4.101 -11.312 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -21.186 3.124 -12.586 1.00 0.00 H new ATOM 0 HG LEU A 58 -23.391 5.154 -13.031 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -21.625 6.595 -13.965 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -21.361 6.263 -12.237 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -20.398 5.408 -13.465 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -22.747 4.932 -15.399 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -21.564 3.679 -14.955 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -23.303 3.384 -14.718 1.00 0.00 H new ATOM 920 N GLU A 59 -21.874 0.722 -11.183 1.00 0.00 N ATOM 921 CA GLU A 59 -21.410 -0.220 -10.171 1.00 0.00 C ATOM 922 C GLU A 59 -20.062 -0.819 -10.563 1.00 0.00 C ATOM 923 O GLU A 59 -19.633 -0.710 -11.711 1.00 0.00 O ATOM 924 CB GLU A 59 -22.438 -1.335 -9.971 1.00 0.00 C ATOM 925 CG GLU A 59 -23.498 -1.008 -8.933 1.00 0.00 C ATOM 926 CD GLU A 59 -24.063 -2.247 -8.265 1.00 0.00 C ATOM 927 OE1 GLU A 59 -23.308 -2.928 -7.540 1.00 0.00 O ATOM 928 OE2 GLU A 59 -25.261 -2.535 -8.469 1.00 0.00 O ATOM 0 H GLU A 59 -21.441 0.605 -12.099 1.00 0.00 H new ATOM 0 HA GLU A 59 -21.288 0.323 -9.234 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -22.926 -1.542 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -21.919 -2.246 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -23.068 -0.355 -8.174 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -24.308 -0.455 -9.408 1.00 0.00 H new ATOM 935 N ASP A 60 -19.400 -1.451 -9.600 1.00 0.00 N ATOM 936 CA ASP A 60 -18.102 -2.068 -9.843 1.00 0.00 C ATOM 937 C ASP A 60 -18.195 -3.111 -10.952 1.00 0.00 C ATOM 938 O ASP A 60 -19.285 -3.550 -11.315 1.00 0.00 O ATOM 939 CB ASP A 60 -17.572 -2.713 -8.561 1.00 0.00 C ATOM 940 CG ASP A 60 -16.139 -3.189 -8.702 1.00 0.00 C ATOM 941 OD1 ASP A 60 -15.377 -2.559 -9.466 1.00 0.00 O ATOM 942 OD2 ASP A 60 -15.780 -4.189 -8.047 1.00 0.00 O ATOM 0 H ASP A 60 -19.741 -1.549 -8.644 1.00 0.00 H new ATOM 0 HA ASP A 60 -17.410 -1.288 -10.160 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -17.634 -1.995 -7.744 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -18.207 -3.557 -8.293 1.00 0.00 H new ATOM 947 N GLY A 61 -17.043 -3.503 -11.487 1.00 0.00 N ATOM 948 CA GLY A 61 -17.017 -4.491 -12.550 1.00 0.00 C ATOM 949 C GLY A 61 -16.535 -3.913 -13.866 1.00 0.00 C ATOM 950 O GLY A 61 -15.694 -4.508 -14.542 1.00 0.00 O ATOM 0 H GLY A 61 -16.127 -3.154 -11.204 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -16.367 -5.316 -12.259 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -18.017 -4.904 -12.683 1.00 0.00 H new ATOM 954 N ARG A 62 -17.069 -2.753 -14.232 1.00 0.00 N ATOM 955 CA ARG A 62 -16.690 -2.097 -15.478 1.00 0.00 C ATOM 956 C ARG A 62 -15.776 -0.905 -15.208 1.00 0.00 C ATOM 957 O ARG A 62 -15.622 -0.472 -14.066 1.00 0.00 O ATOM 958 CB ARG A 62 -17.936 -1.636 -16.236 1.00 0.00 C ATOM 959 CG ARG A 62 -18.632 -2.752 -16.999 1.00 0.00 C ATOM 960 CD ARG A 62 -17.778 -3.254 -18.153 1.00 0.00 C ATOM 961 NE ARG A 62 -18.465 -4.276 -18.938 1.00 0.00 N ATOM 962 CZ ARG A 62 -17.883 -4.973 -19.908 1.00 0.00 C ATOM 963 NH1 ARG A 62 -16.610 -4.759 -20.210 1.00 0.00 N ATOM 964 NH2 ARG A 62 -18.575 -5.886 -20.577 1.00 0.00 N ATOM 0 H ARG A 62 -17.765 -2.248 -13.684 1.00 0.00 H new ATOM 0 HA ARG A 62 -16.148 -2.818 -16.089 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -18.640 -1.197 -15.529 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -17.655 -0.849 -16.936 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -18.850 -3.577 -16.321 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -19.587 -2.392 -17.381 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -17.514 -2.417 -18.799 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -16.846 -3.662 -17.763 1.00 0.00 H new ATOM 0 HE ARG A 62 -19.446 -4.465 -18.730 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -16.075 -4.058 -19.697 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -16.165 -5.295 -20.955 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -19.555 -6.053 -20.347 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -18.128 -6.421 -21.322 1.00 0.00 H new ATOM 978 N THR A 63 -15.172 -0.377 -16.269 1.00 0.00 N ATOM 979 CA THR A 63 -14.273 0.763 -16.147 1.00 0.00 C ATOM 980 C THR A 63 -14.921 2.034 -16.684 1.00 0.00 C ATOM 981 O THR A 63 -15.870 1.977 -17.466 1.00 0.00 O ATOM 982 CB THR A 63 -12.950 0.518 -16.897 1.00 0.00 C ATOM 983 OG1 THR A 63 -12.204 1.737 -16.986 1.00 0.00 O ATOM 984 CG2 THR A 63 -13.213 -0.024 -18.294 1.00 0.00 C ATOM 0 H THR A 63 -15.290 -0.721 -17.222 1.00 0.00 H new ATOM 0 HA THR A 63 -14.062 0.887 -15.085 1.00 0.00 H new ATOM 0 HB THR A 63 -12.373 -0.220 -16.340 1.00 0.00 H new ATOM 0 HG1 THR A 63 -12.184 2.173 -16.109 1.00 0.00 H new ATOM 0 HG21 THR A 63 -12.264 -0.189 -18.805 1.00 0.00 H new ATOM 0 HG22 THR A 63 -13.756 -0.967 -18.222 1.00 0.00 H new ATOM 0 HG23 THR A 63 -13.808 0.695 -18.857 1.00 0.00 H new ATOM 992 N LEU A 64 -14.402 3.182 -16.260 1.00 0.00 N ATOM 993 CA LEU A 64 -14.929 4.469 -16.700 1.00 0.00 C ATOM 994 C LEU A 64 -14.993 4.540 -18.222 1.00 0.00 C ATOM 995 O LEU A 64 -15.892 5.163 -18.787 1.00 0.00 O ATOM 996 CB LEU A 64 -14.063 5.608 -16.160 1.00 0.00 C ATOM 997 CG LEU A 64 -14.283 5.981 -14.693 1.00 0.00 C ATOM 998 CD1 LEU A 64 -15.741 6.335 -14.445 1.00 0.00 C ATOM 999 CD2 LEU A 64 -13.845 4.844 -13.783 1.00 0.00 C ATOM 0 H LEU A 64 -13.617 3.247 -15.612 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.941 4.573 -16.308 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -13.016 5.335 -16.292 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -14.241 6.494 -16.770 1.00 0.00 H new ATOM 0 HG LEU A 64 -13.675 6.856 -14.465 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -15.878 6.598 -13.396 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -16.021 7.182 -15.071 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -16.370 5.479 -14.690 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.009 5.127 -12.743 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -14.426 3.950 -14.012 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -12.786 4.639 -13.941 1.00 0.00 H new ATOM 1011 N SER A 65 -14.035 3.896 -18.880 1.00 0.00 N ATOM 1012 CA SER A 65 -13.981 3.888 -20.337 1.00 0.00 C ATOM 1013 C SER A 65 -15.098 3.026 -20.917 1.00 0.00 C ATOM 1014 O SER A 65 -15.615 3.307 -21.998 1.00 0.00 O ATOM 1015 CB SER A 65 -12.622 3.372 -20.816 1.00 0.00 C ATOM 1016 OG SER A 65 -12.575 3.296 -22.230 1.00 0.00 O ATOM 0 H SER A 65 -13.285 3.373 -18.427 1.00 0.00 H new ATOM 0 HA SER A 65 -14.116 4.912 -20.686 1.00 0.00 H new ATOM 0 HB2 SER A 65 -11.832 4.032 -20.458 1.00 0.00 H new ATOM 0 HB3 SER A 65 -12.432 2.387 -20.389 1.00 0.00 H new ATOM 0 HG SER A 65 -11.696 2.965 -22.511 1.00 0.00 H new ATOM 1022 N GLU A 66 -15.464 1.975 -20.190 1.00 0.00 N ATOM 1023 CA GLU A 66 -16.520 1.071 -20.633 1.00 0.00 C ATOM 1024 C GLU A 66 -17.893 1.713 -20.462 1.00 0.00 C ATOM 1025 O GLU A 66 -18.847 1.358 -21.155 1.00 0.00 O ATOM 1026 CB GLU A 66 -16.458 -0.243 -19.850 1.00 0.00 C ATOM 1027 CG GLU A 66 -15.436 -1.227 -20.393 1.00 0.00 C ATOM 1028 CD GLU A 66 -15.963 -2.026 -21.569 1.00 0.00 C ATOM 1029 OE1 GLU A 66 -17.140 -1.832 -21.937 1.00 0.00 O ATOM 1030 OE2 GLU A 66 -15.199 -2.846 -22.120 1.00 0.00 O ATOM 0 H GLU A 66 -15.046 1.728 -19.293 1.00 0.00 H new ATOM 0 HA GLU A 66 -16.365 0.863 -21.692 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -16.222 -0.025 -18.808 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -17.443 -0.711 -19.863 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.542 -0.684 -20.699 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -15.138 -1.911 -19.598 1.00 0.00 H new ATOM 1037 N TYR A 67 -17.986 2.660 -19.535 1.00 0.00 N ATOM 1038 CA TYR A 67 -19.243 3.350 -19.270 1.00 0.00 C ATOM 1039 C TYR A 67 -19.360 4.613 -20.119 1.00 0.00 C ATOM 1040 O TYR A 67 -20.223 5.456 -19.880 1.00 0.00 O ATOM 1041 CB TYR A 67 -19.350 3.707 -17.787 1.00 0.00 C ATOM 1042 CG TYR A 67 -20.004 2.631 -16.951 1.00 0.00 C ATOM 1043 CD1 TYR A 67 -21.270 2.152 -17.266 1.00 0.00 C ATOM 1044 CD2 TYR A 67 -19.357 2.093 -15.845 1.00 0.00 C ATOM 1045 CE1 TYR A 67 -21.872 1.169 -16.505 1.00 0.00 C ATOM 1046 CE2 TYR A 67 -19.951 1.108 -15.079 1.00 0.00 C ATOM 1047 CZ TYR A 67 -21.208 0.650 -15.413 1.00 0.00 C ATOM 1048 OH TYR A 67 -21.804 -0.330 -14.652 1.00 0.00 O ATOM 0 H TYR A 67 -17.206 2.967 -18.954 1.00 0.00 H new ATOM 0 HA TYR A 67 -20.060 2.679 -19.535 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -18.351 3.902 -17.396 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -19.919 4.631 -17.684 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -21.792 2.555 -18.121 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -18.373 2.451 -15.580 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -22.857 0.809 -16.763 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -19.434 0.699 -14.224 1.00 0.00 H new ATOM 0 HH TYR A 67 -21.204 -0.587 -13.921 1.00 0.00 H new ATOM 1058 N ASN A 68 -18.484 4.734 -21.111 1.00 0.00 N ATOM 1059 CA ASN A 68 -18.488 5.894 -21.996 1.00 0.00 C ATOM 1060 C ASN A 68 -18.296 7.183 -21.204 1.00 0.00 C ATOM 1061 O ASN A 68 -18.699 8.260 -21.645 1.00 0.00 O ATOM 1062 CB ASN A 68 -19.798 5.956 -22.784 1.00 0.00 C ATOM 1063 CG ASN A 68 -19.632 6.635 -24.129 1.00 0.00 C ATOM 1064 OD1 ASN A 68 -20.134 7.738 -24.346 1.00 0.00 O ATOM 1065 ND2 ASN A 68 -18.925 5.978 -25.041 1.00 0.00 N ATOM 0 H ASN A 68 -17.763 4.044 -21.322 1.00 0.00 H new ATOM 0 HA ASN A 68 -17.657 5.790 -22.694 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -20.176 4.945 -22.935 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -20.546 6.492 -22.199 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -18.780 6.386 -25.965 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -18.527 5.066 -24.818 1.00 0.00 H new ATOM 1072 N ILE A 69 -17.677 7.066 -20.034 1.00 0.00 N ATOM 1073 CA ILE A 69 -17.430 8.222 -19.182 1.00 0.00 C ATOM 1074 C ILE A 69 -16.138 8.930 -19.575 1.00 0.00 C ATOM 1075 O ILE A 69 -15.047 8.507 -19.194 1.00 0.00 O ATOM 1076 CB ILE A 69 -17.351 7.821 -17.697 1.00 0.00 C ATOM 1077 CG1 ILE A 69 -18.658 7.159 -17.254 1.00 0.00 C ATOM 1078 CG2 ILE A 69 -17.048 9.037 -16.835 1.00 0.00 C ATOM 1079 CD1 ILE A 69 -18.501 6.256 -16.051 1.00 0.00 C ATOM 0 H ILE A 69 -17.337 6.182 -19.655 1.00 0.00 H new ATOM 0 HA ILE A 69 -18.271 8.902 -19.322 1.00 0.00 H new ATOM 0 HB ILE A 69 -16.541 7.102 -17.573 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -19.388 7.934 -17.023 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -19.061 6.578 -18.084 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -16.995 8.737 -15.788 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -16.094 9.469 -17.137 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -17.837 9.778 -16.961 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -19.467 5.822 -15.794 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -17.795 5.459 -16.284 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -18.128 6.836 -15.207 1.00 0.00 H new ATOM 1091 N GLN A 70 -16.270 10.009 -20.340 1.00 0.00 N ATOM 1092 CA GLN A 70 -15.112 10.776 -20.784 1.00 0.00 C ATOM 1093 C GLN A 70 -14.797 11.902 -19.805 1.00 0.00 C ATOM 1094 O GLN A 70 -15.356 11.962 -18.710 1.00 0.00 O ATOM 1095 CB GLN A 70 -15.359 11.351 -22.180 1.00 0.00 C ATOM 1096 CG GLN A 70 -15.804 10.311 -23.196 1.00 0.00 C ATOM 1097 CD GLN A 70 -14.679 9.383 -23.611 1.00 0.00 C ATOM 1098 OE1 GLN A 70 -13.668 9.820 -24.161 1.00 0.00 O ATOM 1099 NE2 GLN A 70 -14.850 8.092 -23.348 1.00 0.00 N ATOM 0 H GLN A 70 -17.166 10.372 -20.665 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.255 10.103 -20.823 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.118 12.130 -22.114 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -14.445 11.826 -22.535 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.619 9.722 -22.775 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.198 10.816 -24.078 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -15.704 7.774 -22.890 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -14.127 7.419 -23.604 1.00 0.00 H new ATOM 1108 N LYS A 71 -13.897 12.794 -20.207 1.00 0.00 N ATOM 1109 CA LYS A 71 -13.507 13.920 -19.367 1.00 0.00 C ATOM 1110 C LYS A 71 -14.615 14.967 -19.312 1.00 0.00 C ATOM 1111 O LYS A 71 -14.566 15.893 -18.503 1.00 0.00 O ATOM 1112 CB LYS A 71 -12.218 14.554 -19.894 1.00 0.00 C ATOM 1113 CG LYS A 71 -12.382 15.234 -21.243 1.00 0.00 C ATOM 1114 CD LYS A 71 -11.122 15.113 -22.084 1.00 0.00 C ATOM 1115 CE LYS A 71 -11.171 16.033 -23.294 1.00 0.00 C ATOM 1116 NZ LYS A 71 -11.317 17.461 -22.900 1.00 0.00 N ATOM 0 H LYS A 71 -13.424 12.758 -21.110 1.00 0.00 H new ATOM 0 HA LYS A 71 -13.334 13.545 -18.358 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -11.860 15.285 -19.169 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -11.451 13.784 -19.976 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -13.221 14.788 -21.777 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -12.622 16.287 -21.094 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -10.252 15.357 -21.475 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -11.001 14.081 -22.414 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.261 15.910 -23.881 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -12.005 15.746 -23.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -10.966 18.070 -23.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -12.320 17.671 -22.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.768 17.641 -22.035 1.00 0.00 H new ATOM 1130 N GLU A 72 -15.614 14.812 -20.176 1.00 0.00 N ATOM 1131 CA GLU A 72 -16.734 15.744 -20.223 1.00 0.00 C ATOM 1132 C GLU A 72 -18.053 15.025 -19.955 1.00 0.00 C ATOM 1133 O GLU A 72 -19.113 15.462 -20.402 1.00 0.00 O ATOM 1134 CB GLU A 72 -16.788 16.441 -21.585 1.00 0.00 C ATOM 1135 CG GLU A 72 -16.599 15.497 -22.760 1.00 0.00 C ATOM 1136 CD GLU A 72 -16.882 16.161 -24.093 1.00 0.00 C ATOM 1137 OE1 GLU A 72 -17.919 16.847 -24.205 1.00 0.00 O ATOM 1138 OE2 GLU A 72 -16.067 15.994 -25.024 1.00 0.00 O ATOM 0 H GLU A 72 -15.670 14.050 -20.852 1.00 0.00 H new ATOM 0 HA GLU A 72 -16.584 16.492 -19.445 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -17.748 16.947 -21.687 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -16.017 17.211 -21.621 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -15.577 15.119 -22.757 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -17.258 14.637 -22.640 1.00 0.00 H new ATOM 1145 N SER A 73 -17.978 13.919 -19.222 1.00 0.00 N ATOM 1146 CA SER A 73 -19.164 13.135 -18.897 1.00 0.00 C ATOM 1147 C SER A 73 -19.907 13.742 -17.711 1.00 0.00 C ATOM 1148 O SER A 73 -19.306 14.380 -16.845 1.00 0.00 O ATOM 1149 CB SER A 73 -18.776 11.689 -18.584 1.00 0.00 C ATOM 1150 OG SER A 73 -18.714 11.468 -17.186 1.00 0.00 O ATOM 0 H SER A 73 -17.108 13.545 -18.842 1.00 0.00 H new ATOM 0 HA SER A 73 -19.826 13.146 -19.763 1.00 0.00 H new ATOM 0 HB2 SER A 73 -19.502 11.010 -19.031 1.00 0.00 H new ATOM 0 HB3 SER A 73 -17.809 11.463 -19.034 1.00 0.00 H new ATOM 0 HG SER A 73 -17.807 11.655 -16.865 1.00 0.00 H new ATOM 1156 N THR A 74 -21.221 13.539 -17.677 1.00 0.00 N ATOM 1157 CA THR A 74 -22.048 14.066 -16.599 1.00 0.00 C ATOM 1158 C THR A 74 -22.430 12.969 -15.612 1.00 0.00 C ATOM 1159 O THR A 74 -23.153 12.033 -15.956 1.00 0.00 O ATOM 1160 CB THR A 74 -23.332 14.719 -17.144 1.00 0.00 C ATOM 1161 OG1 THR A 74 -23.144 15.103 -18.511 1.00 0.00 O ATOM 1162 CG2 THR A 74 -23.713 15.938 -16.317 1.00 0.00 C ATOM 0 H THR A 74 -21.735 13.013 -18.384 1.00 0.00 H new ATOM 0 HA THR A 74 -21.454 14.822 -16.086 1.00 0.00 H new ATOM 0 HB THR A 74 -24.140 13.990 -17.080 1.00 0.00 H new ATOM 0 HG1 THR A 74 -23.965 15.516 -18.851 1.00 0.00 H new ATOM 0 HG21 THR A 74 -24.623 16.382 -16.721 1.00 0.00 H new ATOM 0 HG22 THR A 74 -23.884 15.637 -15.283 1.00 0.00 H new ATOM 0 HG23 THR A 74 -22.905 16.669 -16.353 1.00 0.00 H new ATOM 1170 N LEU A 75 -21.939 13.088 -14.383 1.00 0.00 N ATOM 1171 CA LEU A 75 -22.230 12.106 -13.344 1.00 0.00 C ATOM 1172 C LEU A 75 -23.163 12.690 -12.289 1.00 0.00 C ATOM 1173 O LEU A 75 -23.188 13.901 -12.068 1.00 0.00 O ATOM 1174 CB LEU A 75 -20.932 11.631 -12.687 1.00 0.00 C ATOM 1175 CG LEU A 75 -20.399 10.277 -13.157 1.00 0.00 C ATOM 1176 CD1 LEU A 75 -21.291 9.150 -12.659 1.00 0.00 C ATOM 1177 CD2 LEU A 75 -20.291 10.243 -14.674 1.00 0.00 C ATOM 0 H LEU A 75 -21.338 13.855 -14.082 1.00 0.00 H new ATOM 0 HA LEU A 75 -22.727 11.255 -13.811 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -20.163 12.383 -12.863 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -21.090 11.583 -11.610 1.00 0.00 H new ATOM 0 HG LEU A 75 -19.402 10.136 -12.739 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -20.896 8.194 -13.003 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -21.317 9.161 -11.569 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -22.300 9.286 -13.047 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -19.910 9.272 -14.990 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -21.275 10.407 -15.113 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -19.610 11.026 -15.008 1.00 0.00 H new ATOM 1189 N HIS A 76 -23.929 11.820 -11.637 1.00 0.00 N ATOM 1190 CA HIS A 76 -24.863 12.249 -10.602 1.00 0.00 C ATOM 1191 C HIS A 76 -24.749 11.361 -9.366 1.00 0.00 C ATOM 1192 O HIS A 76 -24.937 10.146 -9.442 1.00 0.00 O ATOM 1193 CB HIS A 76 -26.296 12.220 -11.135 1.00 0.00 C ATOM 1194 CG HIS A 76 -26.707 13.491 -11.813 1.00 0.00 C ATOM 1195 ND1 HIS A 76 -26.597 13.687 -13.173 1.00 0.00 N ATOM 1196 CD2 HIS A 76 -27.234 14.632 -11.311 1.00 0.00 C ATOM 1197 CE1 HIS A 76 -27.036 14.896 -13.478 1.00 0.00 C ATOM 1198 NE2 HIS A 76 -27.429 15.489 -12.366 1.00 0.00 N ATOM 0 H HIS A 76 -23.921 10.814 -11.807 1.00 0.00 H new ATOM 0 HA HIS A 76 -24.610 13.271 -10.319 1.00 0.00 H new ATOM 0 HB2 HIS A 76 -26.397 11.393 -11.838 1.00 0.00 H new ATOM 0 HB3 HIS A 76 -26.979 12.021 -10.309 1.00 0.00 H new ATOM 0 HD2 HIS A 76 -27.459 14.831 -10.274 1.00 0.00 H new ATOM 0 HE1 HIS A 76 -27.068 15.326 -14.468 1.00 0.00 H new ATOM 0 HE2 HIS A 76 -27.815 16.431 -12.301 1.00 0.00 H new ATOM 1206 N LEU A 77 -24.440 11.974 -8.229 1.00 0.00 N ATOM 1207 CA LEU A 77 -24.300 11.240 -6.977 1.00 0.00 C ATOM 1208 C LEU A 77 -25.593 11.292 -6.168 1.00 0.00 C ATOM 1209 O LEU A 77 -26.016 12.359 -5.723 1.00 0.00 O ATOM 1210 CB LEU A 77 -23.146 11.812 -6.153 1.00 0.00 C ATOM 1211 CG LEU A 77 -23.218 13.308 -5.845 1.00 0.00 C ATOM 1212 CD1 LEU A 77 -23.232 13.544 -4.342 1.00 0.00 C ATOM 1213 CD2 LEU A 77 -22.053 14.043 -6.491 1.00 0.00 C ATOM 0 H LEU A 77 -24.282 12.978 -8.148 1.00 0.00 H new ATOM 0 HA LEU A 77 -24.085 10.199 -7.217 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -23.096 11.269 -5.209 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -22.215 11.615 -6.684 1.00 0.00 H new ATOM 0 HG LEU A 77 -24.145 13.700 -6.262 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -23.283 14.614 -4.142 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -24.100 13.051 -3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -22.322 13.136 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -22.121 15.106 -6.261 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -21.114 13.647 -6.104 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -22.088 13.903 -7.571 1.00 0.00 H new ATOM 1225 N VAL A 78 -26.214 10.133 -5.980 1.00 0.00 N ATOM 1226 CA VAL A 78 -27.457 10.046 -5.222 1.00 0.00 C ATOM 1227 C VAL A 78 -27.266 9.234 -3.945 1.00 0.00 C ATOM 1228 O VAL A 78 -26.875 8.066 -3.992 1.00 0.00 O ATOM 1229 CB VAL A 78 -28.582 9.409 -6.059 1.00 0.00 C ATOM 1230 CG1 VAL A 78 -29.033 10.359 -7.158 1.00 0.00 C ATOM 1231 CG2 VAL A 78 -28.123 8.082 -6.645 1.00 0.00 C ATOM 0 H VAL A 78 -25.877 9.241 -6.342 1.00 0.00 H new ATOM 0 HA VAL A 78 -27.741 11.066 -4.962 1.00 0.00 H new ATOM 0 HB VAL A 78 -29.433 9.217 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -29.828 9.892 -7.739 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -29.404 11.282 -6.712 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -28.191 10.585 -7.812 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -28.930 7.646 -7.233 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -27.256 8.247 -7.285 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -27.854 7.401 -5.837 1.00 0.00 H new ATOM 1241 N LEU A 79 -27.544 9.858 -2.806 1.00 0.00 N ATOM 1242 CA LEU A 79 -27.404 9.194 -1.515 1.00 0.00 C ATOM 1243 C LEU A 79 -28.709 8.519 -1.106 1.00 0.00 C ATOM 1244 O LEU A 79 -29.712 9.186 -0.855 1.00 0.00 O ATOM 1245 CB LEU A 79 -26.979 10.200 -0.445 1.00 0.00 C ATOM 1246 CG LEU A 79 -25.478 10.469 -0.334 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -24.932 10.998 -1.651 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -25.193 11.448 0.796 1.00 0.00 C ATOM 0 H LEU A 79 -27.868 10.824 -2.750 1.00 0.00 H new ATOM 0 HA LEU A 79 -26.634 8.428 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -27.483 11.146 -0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -27.336 9.845 0.521 1.00 0.00 H new ATOM 0 HG LEU A 79 -24.976 9.529 -0.108 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -23.862 11.184 -1.553 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -25.102 10.262 -2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -25.440 11.928 -1.908 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -24.120 11.627 0.860 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -25.707 12.389 0.601 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -25.548 11.030 1.738 1.00 0.00 H new