USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 160:sc= 0 (180deg=-0.303) USER MOD Single : A 3 GLN : amide:sc= -0.241 X(o=-0.24,f=-0.069) USER MOD Single : A 4 CYS SG : rot 180:sc= -1.86 USER MOD Single : A 5 LYS NZ :NH3+ -150:sc= -0.087 (180deg=-0.525) USER MOD Single : A 10 TYR OH : rot 172:sc= 0.814 USER MOD Single : A 13 GLN : amide:sc= -0.229 X(o=-0.23,f=0) USER MOD Single : A 14 ASN : amide:sc=-0.00379 X(o=-0.0038,f=-0.24) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.00973 X(o=-0.0097,f=-0.16) USER MOD Single : A 38 SER OG : rot 180:sc= -1.7 USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.233 K(o=-0.23,f=-1.6!) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 131:sc= 2.66 USER MOD Single : A 51 ASN : amide:sc= -0.231 K(o=-0.23,f=-2.6!) USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= 0.279 (180deg=0) USER MOD Single : A 60 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.540 13.263 3.187 1.00 0.00 N ATOM 2 CA MET A 1 0.212 13.286 3.855 1.00 0.00 C ATOM 3 C MET A 1 -0.461 11.919 3.789 1.00 0.00 C ATOM 4 O MET A 1 -0.635 11.354 2.709 1.00 0.00 O ATOM 5 CB MET A 1 -0.660 14.338 3.168 1.00 0.00 C ATOM 6 CG MET A 1 -0.732 14.176 1.658 1.00 0.00 C ATOM 7 SD MET A 1 -2.384 14.482 1.003 1.00 0.00 S ATOM 8 CE MET A 1 -1.998 14.957 -0.681 1.00 0.00 C ATOM 0 H1 MET A 1 1.823 14.234 2.944 1.00 0.00 H new ATOM 0 H2 MET A 1 2.245 12.848 3.829 1.00 0.00 H new ATOM 0 H3 MET A 1 1.483 12.691 2.320 1.00 0.00 H new ATOM 0 HA MET A 1 0.344 13.536 4.908 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.668 14.287 3.579 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.271 15.329 3.401 1.00 0.00 H new ATOM 0 HG2 MET A 1 -0.027 14.862 1.189 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.421 13.166 1.390 1.00 0.00 H new ATOM 0 HE1 MET A 1 -2.921 15.179 -1.217 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.362 15.842 -0.673 1.00 0.00 H new ATOM 0 HE3 MET A 1 -1.476 14.140 -1.179 1.00 0.00 H new ATOM 20 N ARG A 2 -0.840 11.394 4.950 1.00 0.00 N ATOM 21 CA ARG A 2 -1.494 10.093 5.023 1.00 0.00 C ATOM 22 C ARG A 2 -0.589 8.998 4.468 1.00 0.00 C ATOM 23 O ARG A 2 -0.319 8.950 3.268 1.00 0.00 O ATOM 24 CB ARG A 2 -2.815 10.120 4.250 1.00 0.00 C ATOM 25 CG ARG A 2 -4.023 10.428 5.122 1.00 0.00 C ATOM 26 CD ARG A 2 -4.898 9.200 5.319 1.00 0.00 C ATOM 27 NE ARG A 2 -6.041 9.476 6.185 1.00 0.00 N ATOM 28 CZ ARG A 2 -7.131 8.714 6.240 1.00 0.00 C ATOM 29 NH1 ARG A 2 -7.230 7.630 5.482 1.00 0.00 N ATOM 30 NH2 ARG A 2 -8.125 9.038 7.056 1.00 0.00 N ATOM 0 H ARG A 2 -0.705 11.850 5.853 1.00 0.00 H new ATOM 0 HA ARG A 2 -1.698 9.874 6.071 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -2.748 10.867 3.459 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -2.963 9.155 3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -3.688 10.796 6.092 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -4.610 11.224 4.664 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -5.254 8.849 4.350 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -4.302 8.396 5.750 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.002 10.301 6.783 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -6.468 7.376 4.853 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.068 7.050 5.528 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -8.054 9.871 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -8.961 8.455 7.099 1.00 0.00 H new ATOM 44 N GLN A 3 -0.122 8.119 5.350 1.00 0.00 N ATOM 45 CA GLN A 3 0.753 7.026 4.946 1.00 0.00 C ATOM 46 C GLN A 3 0.351 5.722 5.629 1.00 0.00 C ATOM 47 O GLN A 3 -0.233 5.731 6.712 1.00 0.00 O ATOM 48 CB GLN A 3 2.209 7.361 5.275 1.00 0.00 C ATOM 49 CG GLN A 3 2.760 8.528 4.472 1.00 0.00 C ATOM 50 CD GLN A 3 3.724 9.383 5.272 1.00 0.00 C ATOM 51 OE1 GLN A 3 4.843 9.651 4.835 1.00 0.00 O ATOM 52 NE2 GLN A 3 3.294 9.815 6.452 1.00 0.00 N ATOM 0 H GLN A 3 -0.335 8.143 6.347 1.00 0.00 H new ATOM 0 HA GLN A 3 0.652 6.895 3.869 1.00 0.00 H new ATOM 0 HB2 GLN A 3 2.289 7.591 6.337 1.00 0.00 H new ATOM 0 HB3 GLN A 3 2.826 6.481 5.092 1.00 0.00 H new ATOM 0 HG2 GLN A 3 3.268 8.147 3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.933 9.147 4.124 1.00 0.00 H new ATOM 0 HE21 GLN A 3 2.358 9.569 6.775 1.00 0.00 H new ATOM 0 HE22 GLN A 3 3.899 10.393 7.035 1.00 0.00 H new ATOM 61 N CYS A 4 0.668 4.604 4.985 1.00 0.00 N ATOM 62 CA CYS A 4 0.342 3.288 5.524 1.00 0.00 C ATOM 63 C CYS A 4 1.413 2.271 5.143 1.00 0.00 C ATOM 64 O CYS A 4 1.922 2.289 4.023 1.00 0.00 O ATOM 65 CB CYS A 4 -1.021 2.828 5.001 1.00 0.00 C ATOM 66 SG CYS A 4 -2.309 4.096 5.069 1.00 0.00 S ATOM 0 H CYS A 4 1.151 4.583 4.087 1.00 0.00 H new ATOM 0 HA CYS A 4 0.302 3.362 6.611 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -0.908 2.496 3.969 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -1.347 1.964 5.580 1.00 0.00 H new ATOM 0 HG CYS A 4 -3.421 3.610 4.603 1.00 0.00 H new ATOM 72 N LYS A 5 1.751 1.382 6.074 1.00 0.00 N ATOM 73 CA LYS A 5 2.762 0.365 5.810 1.00 0.00 C ATOM 74 C LYS A 5 2.212 -1.039 6.051 1.00 0.00 C ATOM 75 O LYS A 5 1.708 -1.348 7.126 1.00 0.00 O ATOM 76 CB LYS A 5 3.986 0.607 6.699 1.00 0.00 C ATOM 77 CG LYS A 5 5.083 -0.435 6.539 1.00 0.00 C ATOM 78 CD LYS A 5 5.949 -0.525 7.787 1.00 0.00 C ATOM 79 CE LYS A 5 5.708 -1.823 8.542 1.00 0.00 C ATOM 80 NZ LYS A 5 6.783 -2.093 9.537 1.00 0.00 N ATOM 0 H LYS A 5 1.344 1.346 7.008 1.00 0.00 H new ATOM 0 HA LYS A 5 3.052 0.438 4.762 1.00 0.00 H new ATOM 0 HB2 LYS A 5 4.398 1.591 6.473 1.00 0.00 H new ATOM 0 HB3 LYS A 5 3.667 0.627 7.741 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.636 -1.408 6.334 1.00 0.00 H new ATOM 0 HG3 LYS A 5 5.705 -0.182 5.680 1.00 0.00 H new ATOM 0 HD2 LYS A 5 7.000 -0.456 7.507 1.00 0.00 H new ATOM 0 HD3 LYS A 5 5.737 0.321 8.440 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.746 -1.774 9.051 1.00 0.00 H new ATOM 0 HE3 LYS A 5 5.652 -2.650 7.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 6.897 -3.120 9.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.678 -1.682 9.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.526 -1.666 10.450 1.00 0.00 H new ATOM 94 N VAL A 6 2.332 -1.882 5.034 1.00 0.00 N ATOM 95 CA VAL A 6 1.866 -3.264 5.096 1.00 0.00 C ATOM 96 C VAL A 6 2.609 -4.053 6.172 1.00 0.00 C ATOM 97 O VAL A 6 3.801 -3.845 6.395 1.00 0.00 O ATOM 98 CB VAL A 6 2.053 -3.980 3.741 1.00 0.00 C ATOM 99 CG1 VAL A 6 1.290 -5.294 3.723 1.00 0.00 C ATOM 100 CG2 VAL A 6 1.617 -3.091 2.582 1.00 0.00 C ATOM 0 H VAL A 6 2.755 -1.628 4.141 1.00 0.00 H new ATOM 0 HA VAL A 6 0.805 -3.225 5.343 1.00 0.00 H new ATOM 0 HB VAL A 6 3.115 -4.193 3.618 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.433 -5.785 2.760 1.00 0.00 H new ATOM 0 HG12 VAL A 6 1.660 -5.941 4.519 1.00 0.00 H new ATOM 0 HG13 VAL A 6 0.228 -5.100 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 6 1.761 -3.623 1.641 1.00 0.00 H new ATOM 0 HG22 VAL A 6 0.564 -2.834 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 6 2.214 -2.179 2.578 1.00 0.00 H new ATOM 110 N LEU A 7 1.896 -4.960 6.835 1.00 0.00 N ATOM 111 CA LEU A 7 2.490 -5.782 7.886 1.00 0.00 C ATOM 112 C LEU A 7 3.030 -7.094 7.321 1.00 0.00 C ATOM 113 O LEU A 7 3.930 -7.704 7.899 1.00 0.00 O ATOM 114 CB LEU A 7 1.461 -6.081 8.979 1.00 0.00 C ATOM 115 CG LEU A 7 0.512 -4.930 9.320 1.00 0.00 C ATOM 116 CD1 LEU A 7 -0.861 -5.467 9.697 1.00 0.00 C ATOM 117 CD2 LEU A 7 1.084 -4.085 10.448 1.00 0.00 C ATOM 0 H LEU A 7 0.908 -5.144 6.664 1.00 0.00 H new ATOM 0 HA LEU A 7 3.319 -5.220 8.315 1.00 0.00 H new ATOM 0 HB2 LEU A 7 0.866 -6.940 8.669 1.00 0.00 H new ATOM 0 HB3 LEU A 7 1.993 -6.372 9.885 1.00 0.00 H new ATOM 0 HG LEU A 7 0.404 -4.298 8.438 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -1.524 -4.635 9.937 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -1.274 -6.030 8.860 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -0.770 -6.120 10.565 1.00 0.00 H new ATOM 0 HD21 LEU A 7 0.396 -3.271 10.678 1.00 0.00 H new ATOM 0 HD22 LEU A 7 1.221 -4.705 11.334 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.045 -3.672 10.142 1.00 0.00 H new ATOM 129 N PHE A 8 2.473 -7.527 6.194 1.00 0.00 N ATOM 130 CA PHE A 8 2.896 -8.771 5.558 1.00 0.00 C ATOM 131 C PHE A 8 3.542 -8.501 4.201 1.00 0.00 C ATOM 132 O PHE A 8 3.642 -7.354 3.766 1.00 0.00 O ATOM 133 CB PHE A 8 1.700 -9.712 5.391 1.00 0.00 C ATOM 134 CG PHE A 8 1.800 -10.963 6.217 1.00 0.00 C ATOM 135 CD1 PHE A 8 1.876 -10.893 7.599 1.00 0.00 C ATOM 136 CD2 PHE A 8 1.815 -12.209 5.611 1.00 0.00 C ATOM 137 CE1 PHE A 8 1.967 -12.043 8.361 1.00 0.00 C ATOM 138 CE2 PHE A 8 1.906 -13.362 6.367 1.00 0.00 C ATOM 139 CZ PHE A 8 1.982 -13.279 7.744 1.00 0.00 C ATOM 0 H PHE A 8 1.727 -7.035 5.702 1.00 0.00 H new ATOM 0 HA PHE A 8 3.637 -9.245 6.201 1.00 0.00 H new ATOM 0 HB2 PHE A 8 0.788 -9.179 5.662 1.00 0.00 H new ATOM 0 HB3 PHE A 8 1.608 -9.987 4.340 1.00 0.00 H new ATOM 0 HD1 PHE A 8 1.864 -9.929 8.086 1.00 0.00 H new ATOM 0 HD2 PHE A 8 1.755 -12.280 4.535 1.00 0.00 H new ATOM 0 HE1 PHE A 8 2.026 -11.975 9.437 1.00 0.00 H new ATOM 0 HE2 PHE A 8 1.918 -14.327 5.882 1.00 0.00 H new ATOM 0 HZ PHE A 8 2.053 -14.179 8.337 1.00 0.00 H new ATOM 149 N GLU A 9 3.985 -9.566 3.540 1.00 0.00 N ATOM 150 CA GLU A 9 4.627 -9.445 2.236 1.00 0.00 C ATOM 151 C GLU A 9 3.614 -9.616 1.107 1.00 0.00 C ATOM 152 O GLU A 9 2.633 -10.347 1.245 1.00 0.00 O ATOM 153 CB GLU A 9 5.741 -10.485 2.096 1.00 0.00 C ATOM 154 CG GLU A 9 6.690 -10.210 0.941 1.00 0.00 C ATOM 155 CD GLU A 9 6.838 -11.398 0.010 1.00 0.00 C ATOM 156 OE1 GLU A 9 5.802 -11.952 -0.414 1.00 0.00 O ATOM 157 OE2 GLU A 9 7.989 -11.774 -0.295 1.00 0.00 O ATOM 0 H GLU A 9 3.911 -10.523 3.886 1.00 0.00 H new ATOM 0 HA GLU A 9 5.057 -8.446 2.164 1.00 0.00 H new ATOM 0 HB2 GLU A 9 6.312 -10.520 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.293 -11.469 1.960 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.327 -9.352 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 9 7.669 -9.940 1.337 1.00 0.00 H new ATOM 164 N TYR A 10 3.860 -8.937 -0.009 1.00 0.00 N ATOM 165 CA TYR A 10 2.973 -9.013 -1.165 1.00 0.00 C ATOM 166 C TYR A 10 3.775 -9.089 -2.460 1.00 0.00 C ATOM 167 O TYR A 10 4.832 -8.470 -2.585 1.00 0.00 O ATOM 168 CB TYR A 10 2.042 -7.800 -1.201 1.00 0.00 C ATOM 169 CG TYR A 10 1.012 -7.858 -2.308 1.00 0.00 C ATOM 170 CD1 TYR A 10 -0.112 -8.666 -2.193 1.00 0.00 C ATOM 171 CD2 TYR A 10 1.164 -7.105 -3.466 1.00 0.00 C ATOM 172 CE1 TYR A 10 -1.055 -8.723 -3.202 1.00 0.00 C ATOM 173 CE2 TYR A 10 0.225 -7.157 -4.478 1.00 0.00 C ATOM 174 CZ TYR A 10 -0.882 -7.967 -4.341 1.00 0.00 C ATOM 175 OH TYR A 10 -1.819 -8.021 -5.347 1.00 0.00 O ATOM 0 H TYR A 10 4.667 -8.327 -0.138 1.00 0.00 H new ATOM 0 HA TYR A 10 2.375 -9.919 -1.073 1.00 0.00 H new ATOM 0 HB2 TYR A 10 1.529 -7.718 -0.243 1.00 0.00 H new ATOM 0 HB3 TYR A 10 2.640 -6.897 -1.320 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.251 -9.259 -1.301 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.030 -6.469 -3.577 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -1.923 -9.357 -3.098 1.00 0.00 H new ATOM 0 HE2 TYR A 10 0.358 -6.566 -5.372 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.617 -7.337 -6.019 1.00 0.00 H new ATOM 185 N ILE A 11 3.267 -9.852 -3.423 1.00 0.00 N ATOM 186 CA ILE A 11 3.937 -10.007 -4.708 1.00 0.00 C ATOM 187 C ILE A 11 2.998 -9.653 -5.863 1.00 0.00 C ATOM 188 O ILE A 11 1.861 -10.123 -5.912 1.00 0.00 O ATOM 189 CB ILE A 11 4.457 -11.447 -4.899 1.00 0.00 C ATOM 190 CG1 ILE A 11 5.273 -11.555 -6.189 1.00 0.00 C ATOM 191 CG2 ILE A 11 3.299 -12.435 -4.912 1.00 0.00 C ATOM 192 CD1 ILE A 11 6.747 -11.274 -5.997 1.00 0.00 C ATOM 0 H ILE A 11 2.394 -10.372 -3.337 1.00 0.00 H new ATOM 0 HA ILE A 11 4.784 -9.322 -4.711 1.00 0.00 H new ATOM 0 HB ILE A 11 5.108 -11.693 -4.060 1.00 0.00 H new ATOM 0 HG12 ILE A 11 5.153 -12.556 -6.602 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.871 -10.857 -6.923 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.684 -13.446 -5.048 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.760 -12.376 -3.967 1.00 0.00 H new ATOM 0 HG23 ILE A 11 2.622 -12.192 -5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 11 7.263 -11.369 -6.952 1.00 0.00 H new ATOM 0 HD12 ILE A 11 6.878 -10.262 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.164 -11.988 -5.287 1.00 0.00 H new ATOM 204 N PRO A 12 3.460 -8.816 -6.810 1.00 0.00 N ATOM 205 CA PRO A 12 2.653 -8.406 -7.960 1.00 0.00 C ATOM 206 C PRO A 12 2.642 -9.456 -9.066 1.00 0.00 C ATOM 207 O PRO A 12 3.640 -10.140 -9.296 1.00 0.00 O ATOM 208 CB PRO A 12 3.358 -7.137 -8.431 1.00 0.00 C ATOM 209 CG PRO A 12 4.791 -7.360 -8.088 1.00 0.00 C ATOM 210 CD PRO A 12 4.803 -8.202 -6.836 1.00 0.00 C ATOM 0 HA PRO A 12 1.604 -8.263 -7.701 1.00 0.00 H new ATOM 0 HB2 PRO A 12 3.225 -6.983 -9.502 1.00 0.00 H new ATOM 0 HB3 PRO A 12 2.962 -6.253 -7.930 1.00 0.00 H new ATOM 0 HG2 PRO A 12 5.311 -7.866 -8.901 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.303 -6.412 -7.923 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.588 -8.958 -6.870 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.983 -7.596 -5.948 1.00 0.00 H new ATOM 218 N GLN A 13 1.508 -9.578 -9.749 1.00 0.00 N ATOM 219 CA GLN A 13 1.368 -10.546 -10.832 1.00 0.00 C ATOM 220 C GLN A 13 0.845 -9.878 -12.100 1.00 0.00 C ATOM 221 O GLN A 13 1.320 -10.157 -13.201 1.00 0.00 O ATOM 222 CB GLN A 13 0.428 -11.678 -10.413 1.00 0.00 C ATOM 223 CG GLN A 13 -0.940 -11.196 -9.957 1.00 0.00 C ATOM 224 CD GLN A 13 -1.753 -12.293 -9.299 1.00 0.00 C ATOM 225 OE1 GLN A 13 -2.403 -12.072 -8.277 1.00 0.00 O ATOM 226 NE2 GLN A 13 -1.721 -13.485 -9.883 1.00 0.00 N ATOM 0 H GLN A 13 0.673 -9.019 -9.572 1.00 0.00 H new ATOM 0 HA GLN A 13 2.354 -10.960 -11.044 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.302 -12.363 -11.251 1.00 0.00 H new ATOM 0 HB3 GLN A 13 0.892 -12.244 -9.606 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -0.816 -10.370 -9.256 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -1.489 -10.806 -10.814 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -1.169 -13.624 -10.729 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -2.249 -14.262 -9.485 1.00 0.00 H new ATOM 235 N ASN A 14 -0.137 -8.997 -11.939 1.00 0.00 N ATOM 236 CA ASN A 14 -0.726 -8.292 -13.073 1.00 0.00 C ATOM 237 C ASN A 14 0.101 -7.065 -13.442 1.00 0.00 C ATOM 238 O ASN A 14 1.026 -6.687 -12.723 1.00 0.00 O ATOM 239 CB ASN A 14 -2.161 -7.874 -12.749 1.00 0.00 C ATOM 240 CG ASN A 14 -3.152 -9.003 -12.947 1.00 0.00 C ATOM 241 OD1 ASN A 14 -3.174 -9.649 -13.995 1.00 0.00 O ATOM 242 ND2 ASN A 14 -3.981 -9.247 -11.939 1.00 0.00 N ATOM 0 H ASN A 14 -0.542 -8.754 -11.035 1.00 0.00 H new ATOM 0 HA ASN A 14 -0.735 -8.971 -13.926 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -2.211 -7.528 -11.717 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -2.443 -7.032 -13.382 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.671 -9.995 -12.015 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -3.928 -8.687 -11.088 1.00 0.00 H new ATOM 249 N GLU A 15 -0.238 -6.448 -14.569 1.00 0.00 N ATOM 250 CA GLU A 15 0.471 -5.263 -15.037 1.00 0.00 C ATOM 251 C GLU A 15 0.331 -4.117 -14.040 1.00 0.00 C ATOM 252 O GLU A 15 1.269 -3.348 -13.827 1.00 0.00 O ATOM 253 CB GLU A 15 -0.060 -4.832 -16.405 1.00 0.00 C ATOM 254 CG GLU A 15 0.908 -3.961 -17.188 1.00 0.00 C ATOM 255 CD GLU A 15 0.868 -4.240 -18.678 1.00 0.00 C ATOM 256 OE1 GLU A 15 -0.234 -4.507 -19.202 1.00 0.00 O ATOM 257 OE2 GLU A 15 1.938 -4.191 -19.320 1.00 0.00 O ATOM 0 H GLU A 15 -1.000 -6.750 -15.176 1.00 0.00 H new ATOM 0 HA GLU A 15 1.528 -5.515 -15.128 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -0.292 -5.721 -16.992 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -0.995 -4.288 -16.268 1.00 0.00 H new ATOM 0 HG2 GLU A 15 0.671 -2.912 -17.012 1.00 0.00 H new ATOM 0 HG3 GLU A 15 1.920 -4.126 -16.818 1.00 0.00 H new ATOM 264 N ASP A 16 -0.846 -4.009 -13.433 1.00 0.00 N ATOM 265 CA ASP A 16 -1.109 -2.956 -12.459 1.00 0.00 C ATOM 266 C ASP A 16 -0.988 -3.491 -11.035 1.00 0.00 C ATOM 267 O ASP A 16 -1.937 -3.429 -10.253 1.00 0.00 O ATOM 268 CB ASP A 16 -2.503 -2.365 -12.680 1.00 0.00 C ATOM 269 CG ASP A 16 -2.658 -1.749 -14.057 1.00 0.00 C ATOM 270 OD1 ASP A 16 -2.891 -2.506 -15.023 1.00 0.00 O ATOM 271 OD2 ASP A 16 -2.547 -0.510 -14.169 1.00 0.00 O ATOM 0 H ASP A 16 -1.632 -4.637 -13.598 1.00 0.00 H new ATOM 0 HA ASP A 16 -0.365 -2.172 -12.597 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.251 -3.147 -12.548 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -2.698 -1.607 -11.922 1.00 0.00 H new ATOM 276 N GLU A 17 0.187 -4.017 -10.705 1.00 0.00 N ATOM 277 CA GLU A 17 0.433 -4.563 -9.376 1.00 0.00 C ATOM 278 C GLU A 17 1.837 -4.212 -8.893 1.00 0.00 C ATOM 279 O GLU A 17 2.826 -4.510 -9.562 1.00 0.00 O ATOM 280 CB GLU A 17 0.248 -6.082 -9.383 1.00 0.00 C ATOM 281 CG GLU A 17 -1.192 -6.517 -9.601 1.00 0.00 C ATOM 282 CD GLU A 17 -2.113 -6.056 -8.489 1.00 0.00 C ATOM 283 OE1 GLU A 17 -2.014 -6.604 -7.371 1.00 0.00 O ATOM 284 OE2 GLU A 17 -2.934 -5.148 -8.735 1.00 0.00 O ATOM 0 H GLU A 17 0.983 -4.077 -11.340 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.288 -4.119 -8.690 1.00 0.00 H new ATOM 0 HB2 GLU A 17 0.872 -6.512 -10.167 1.00 0.00 H new ATOM 0 HB3 GLU A 17 0.602 -6.487 -8.435 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -1.548 -6.120 -10.551 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -1.233 -7.604 -9.675 1.00 0.00 H new ATOM 291 N LEU A 18 1.914 -3.578 -7.729 1.00 0.00 N ATOM 292 CA LEU A 18 3.196 -3.185 -7.155 1.00 0.00 C ATOM 293 C LEU A 18 3.617 -4.153 -6.054 1.00 0.00 C ATOM 294 O LEU A 18 2.776 -4.789 -5.418 1.00 0.00 O ATOM 295 CB LEU A 18 3.114 -1.762 -6.598 1.00 0.00 C ATOM 296 CG LEU A 18 4.304 -0.862 -6.946 1.00 0.00 C ATOM 297 CD1 LEU A 18 3.925 0.127 -8.038 1.00 0.00 C ATOM 298 CD2 LEU A 18 4.799 -0.129 -5.708 1.00 0.00 C ATOM 0 H LEU A 18 1.104 -3.325 -7.164 1.00 0.00 H new ATOM 0 HA LEU A 18 3.946 -3.214 -7.946 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.203 -1.294 -6.970 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.024 -1.817 -5.513 1.00 0.00 H new ATOM 0 HG LEU A 18 5.113 -1.491 -7.319 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.783 0.758 -8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.620 -0.417 -8.932 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.100 0.750 -7.694 1.00 0.00 H new ATOM 0 HD21 LEU A 18 5.644 0.505 -5.974 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.996 0.487 -5.305 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.112 -0.854 -4.957 1.00 0.00 H new ATOM 310 N GLU A 19 4.923 -4.259 -5.833 1.00 0.00 N ATOM 311 CA GLU A 19 5.454 -5.148 -4.807 1.00 0.00 C ATOM 312 C GLU A 19 5.472 -4.459 -3.447 1.00 0.00 C ATOM 313 O GLU A 19 6.291 -3.574 -3.200 1.00 0.00 O ATOM 314 CB GLU A 19 6.866 -5.605 -5.179 1.00 0.00 C ATOM 315 CG GLU A 19 7.253 -6.942 -4.568 1.00 0.00 C ATOM 316 CD GLU A 19 8.235 -6.796 -3.421 1.00 0.00 C ATOM 317 OE1 GLU A 19 8.328 -5.686 -2.857 1.00 0.00 O ATOM 318 OE2 GLU A 19 8.911 -7.793 -3.088 1.00 0.00 O ATOM 0 H GLU A 19 5.633 -3.740 -6.351 1.00 0.00 H new ATOM 0 HA GLU A 19 4.802 -6.020 -4.744 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.942 -5.675 -6.264 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.581 -4.847 -4.857 1.00 0.00 H new ATOM 0 HG2 GLU A 19 6.356 -7.448 -4.211 1.00 0.00 H new ATOM 0 HG3 GLU A 19 7.691 -7.576 -5.338 1.00 0.00 H new ATOM 325 N LEU A 20 4.564 -4.871 -2.569 1.00 0.00 N ATOM 326 CA LEU A 20 4.476 -4.293 -1.233 1.00 0.00 C ATOM 327 C LEU A 20 5.016 -5.263 -0.187 1.00 0.00 C ATOM 328 O LEU A 20 4.266 -6.053 0.388 1.00 0.00 O ATOM 329 CB LEU A 20 3.025 -3.920 -0.912 1.00 0.00 C ATOM 330 CG LEU A 20 2.759 -2.420 -0.755 1.00 0.00 C ATOM 331 CD1 LEU A 20 3.390 -1.640 -1.899 1.00 0.00 C ATOM 332 CD2 LEU A 20 1.264 -2.150 -0.686 1.00 0.00 C ATOM 0 H LEU A 20 3.879 -5.603 -2.758 1.00 0.00 H new ATOM 0 HA LEU A 20 5.086 -3.390 -1.209 1.00 0.00 H new ATOM 0 HB2 LEU A 20 2.383 -4.306 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 20 2.732 -4.423 0.009 1.00 0.00 H new ATOM 0 HG LEU A 20 3.214 -2.086 0.178 1.00 0.00 H new ATOM 0 HD11 LEU A 20 3.189 -0.577 -1.769 1.00 0.00 H new ATOM 0 HD12 LEU A 20 4.467 -1.808 -1.904 1.00 0.00 H new ATOM 0 HD13 LEU A 20 2.966 -1.976 -2.846 1.00 0.00 H new ATOM 0 HD21 LEU A 20 1.092 -1.079 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.788 -2.500 -1.602 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.838 -2.677 0.168 1.00 0.00 H new ATOM 344 N LYS A 21 6.321 -5.197 0.054 1.00 0.00 N ATOM 345 CA LYS A 21 6.965 -6.068 1.030 1.00 0.00 C ATOM 346 C LYS A 21 6.738 -5.555 2.448 1.00 0.00 C ATOM 347 O LYS A 21 6.275 -4.431 2.646 1.00 0.00 O ATOM 348 CB LYS A 21 8.465 -6.167 0.741 1.00 0.00 C ATOM 349 CG LYS A 21 8.936 -7.583 0.447 1.00 0.00 C ATOM 350 CD LYS A 21 9.827 -8.118 1.557 1.00 0.00 C ATOM 351 CE LYS A 21 11.256 -7.615 1.418 1.00 0.00 C ATOM 352 NZ LYS A 21 11.668 -6.784 2.582 1.00 0.00 N ATOM 0 H LYS A 21 6.954 -4.548 -0.414 1.00 0.00 H new ATOM 0 HA LYS A 21 6.521 -7.060 0.948 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.706 -5.529 -0.109 1.00 0.00 H new ATOM 0 HB3 LYS A 21 9.018 -5.779 1.597 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.072 -8.237 0.326 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.481 -7.597 -0.497 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.426 -7.815 2.524 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.820 -9.208 1.537 1.00 0.00 H new ATOM 0 HE2 LYS A 21 11.932 -8.465 1.321 1.00 0.00 H new ATOM 0 HE3 LYS A 21 11.347 -7.029 0.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 12.648 -6.461 2.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.039 -5.959 2.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 11.606 -7.350 3.452 1.00 0.00 H new ATOM 366 N VAL A 22 7.068 -6.383 3.433 1.00 0.00 N ATOM 367 CA VAL A 22 6.901 -6.009 4.831 1.00 0.00 C ATOM 368 C VAL A 22 7.842 -4.869 5.205 1.00 0.00 C ATOM 369 O VAL A 22 9.045 -4.938 4.957 1.00 0.00 O ATOM 370 CB VAL A 22 7.162 -7.204 5.769 1.00 0.00 C ATOM 371 CG1 VAL A 22 6.837 -6.837 7.209 1.00 0.00 C ATOM 372 CG2 VAL A 22 6.356 -8.417 5.327 1.00 0.00 C ATOM 0 H VAL A 22 7.452 -7.317 3.289 1.00 0.00 H new ATOM 0 HA VAL A 22 5.868 -5.683 4.952 1.00 0.00 H new ATOM 0 HB VAL A 22 8.220 -7.459 5.714 1.00 0.00 H new ATOM 0 HG11 VAL A 22 7.028 -7.694 7.855 1.00 0.00 H new ATOM 0 HG12 VAL A 22 7.462 -6.001 7.521 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.787 -6.553 7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 22 6.553 -9.250 6.001 1.00 0.00 H new ATOM 0 HG22 VAL A 22 5.293 -8.176 5.350 1.00 0.00 H new ATOM 0 HG23 VAL A 22 6.643 -8.695 4.313 1.00 0.00 H new ATOM 382 N GLY A 23 7.286 -3.820 5.803 1.00 0.00 N ATOM 383 CA GLY A 23 8.092 -2.681 6.200 1.00 0.00 C ATOM 384 C GLY A 23 8.112 -1.578 5.157 1.00 0.00 C ATOM 385 O GLY A 23 8.667 -0.505 5.394 1.00 0.00 O ATOM 0 H GLY A 23 6.293 -3.739 6.019 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.708 -2.280 7.138 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.113 -3.013 6.390 1.00 0.00 H new ATOM 389 N ASP A 24 7.509 -1.837 3.998 1.00 0.00 N ATOM 390 CA ASP A 24 7.469 -0.852 2.922 1.00 0.00 C ATOM 391 C ASP A 24 6.436 0.233 3.210 1.00 0.00 C ATOM 392 O ASP A 24 5.285 -0.062 3.535 1.00 0.00 O ATOM 393 CB ASP A 24 7.152 -1.533 1.590 1.00 0.00 C ATOM 394 CG ASP A 24 8.400 -2.000 0.868 1.00 0.00 C ATOM 395 OD1 ASP A 24 9.211 -2.719 1.489 1.00 0.00 O ATOM 396 OD2 ASP A 24 8.568 -1.646 -0.318 1.00 0.00 O ATOM 0 H ASP A 24 7.043 -2.718 3.782 1.00 0.00 H new ATOM 0 HA ASP A 24 8.451 -0.383 2.859 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.498 -2.387 1.768 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.604 -0.839 0.952 1.00 0.00 H new ATOM 401 N ILE A 25 6.853 1.489 3.085 1.00 0.00 N ATOM 402 CA ILE A 25 5.965 2.619 3.330 1.00 0.00 C ATOM 403 C ILE A 25 5.354 3.130 2.029 1.00 0.00 C ATOM 404 O ILE A 25 6.066 3.406 1.064 1.00 0.00 O ATOM 405 CB ILE A 25 6.708 3.778 4.022 1.00 0.00 C ATOM 406 CG1 ILE A 25 7.498 3.262 5.227 1.00 0.00 C ATOM 407 CG2 ILE A 25 5.725 4.859 4.449 1.00 0.00 C ATOM 408 CD1 ILE A 25 6.626 2.693 6.325 1.00 0.00 C ATOM 0 H ILE A 25 7.801 1.750 2.815 1.00 0.00 H new ATOM 0 HA ILE A 25 5.172 2.261 3.986 1.00 0.00 H new ATOM 0 HB ILE A 25 7.411 4.213 3.311 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.194 2.493 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.096 4.077 5.635 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.266 5.670 4.936 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.205 5.245 3.572 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.000 4.437 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.254 2.347 7.146 1.00 0.00 H new ATOM 0 HD12 ILE A 25 5.947 3.465 6.688 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.047 1.856 5.933 1.00 0.00 H new ATOM 420 N ILE A 26 4.031 3.253 2.012 1.00 0.00 N ATOM 421 CA ILE A 26 3.323 3.731 0.830 1.00 0.00 C ATOM 422 C ILE A 26 2.345 4.844 1.189 1.00 0.00 C ATOM 423 O ILE A 26 1.661 4.777 2.211 1.00 0.00 O ATOM 424 CB ILE A 26 2.553 2.592 0.135 1.00 0.00 C ATOM 425 CG1 ILE A 26 3.455 1.369 -0.042 1.00 0.00 C ATOM 426 CG2 ILE A 26 2.014 3.060 -1.209 1.00 0.00 C ATOM 427 CD1 ILE A 26 3.248 0.308 1.016 1.00 0.00 C ATOM 0 H ILE A 26 3.428 3.028 2.803 1.00 0.00 H new ATOM 0 HA ILE A 26 4.078 4.119 0.146 1.00 0.00 H new ATOM 0 HB ILE A 26 1.709 2.308 0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 26 3.273 0.932 -1.024 1.00 0.00 H new ATOM 0 HG13 ILE A 26 4.497 1.690 -0.024 1.00 0.00 H new ATOM 0 HG21 ILE A 26 1.472 2.244 -1.688 1.00 0.00 H new ATOM 0 HG22 ILE A 26 1.340 3.903 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.843 3.368 -1.846 1.00 0.00 H new ATOM 0 HD11 ILE A 26 3.920 -0.529 0.828 1.00 0.00 H new ATOM 0 HD12 ILE A 26 3.459 0.729 1.999 1.00 0.00 H new ATOM 0 HD13 ILE A 26 2.216 -0.041 0.984 1.00 0.00 H new ATOM 439 N ASP A 27 2.282 5.867 0.343 1.00 0.00 N ATOM 440 CA ASP A 27 1.387 6.995 0.573 1.00 0.00 C ATOM 441 C ASP A 27 0.062 6.795 -0.157 1.00 0.00 C ATOM 442 O ASP A 27 0.029 6.677 -1.382 1.00 0.00 O ATOM 443 CB ASP A 27 2.044 8.297 0.114 1.00 0.00 C ATOM 444 CG ASP A 27 3.330 8.591 0.861 1.00 0.00 C ATOM 445 OD1 ASP A 27 4.164 7.671 0.992 1.00 0.00 O ATOM 446 OD2 ASP A 27 3.503 9.741 1.316 1.00 0.00 O ATOM 0 H ASP A 27 2.840 5.938 -0.508 1.00 0.00 H new ATOM 0 HA ASP A 27 1.187 7.056 1.643 1.00 0.00 H new ATOM 0 HB2 ASP A 27 2.253 8.238 -0.954 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.347 9.123 0.257 1.00 0.00 H new ATOM 451 N ILE A 28 -1.027 6.758 0.604 1.00 0.00 N ATOM 452 CA ILE A 28 -2.354 6.572 0.030 1.00 0.00 C ATOM 453 C ILE A 28 -2.930 7.896 -0.462 1.00 0.00 C ATOM 454 O ILE A 28 -2.838 8.916 0.221 1.00 0.00 O ATOM 455 CB ILE A 28 -3.325 5.950 1.051 1.00 0.00 C ATOM 456 CG1 ILE A 28 -3.300 6.740 2.361 1.00 0.00 C ATOM 457 CG2 ILE A 28 -2.971 4.491 1.298 1.00 0.00 C ATOM 458 CD1 ILE A 28 -4.514 6.503 3.232 1.00 0.00 C ATOM 0 H ILE A 28 -1.016 6.854 1.619 1.00 0.00 H new ATOM 0 HA ILE A 28 -2.242 5.892 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 28 -4.335 5.994 0.643 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.404 6.472 2.920 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -3.228 7.804 2.133 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.666 4.065 2.022 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.038 3.937 0.362 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.955 4.424 1.688 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.429 7.095 4.144 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -5.413 6.798 2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -4.576 5.446 3.490 1.00 0.00 H new ATOM 470 N ASN A 29 -3.523 7.873 -1.651 1.00 0.00 N ATOM 471 CA ASN A 29 -4.113 9.073 -2.234 1.00 0.00 C ATOM 472 C ASN A 29 -5.636 8.989 -2.232 1.00 0.00 C ATOM 473 O ASN A 29 -6.319 9.943 -1.859 1.00 0.00 O ATOM 474 CB ASN A 29 -3.601 9.276 -3.662 1.00 0.00 C ATOM 475 CG ASN A 29 -3.118 10.692 -3.908 1.00 0.00 C ATOM 476 OD1 ASN A 29 -2.311 11.226 -3.146 1.00 0.00 O ATOM 477 ND2 ASN A 29 -3.611 11.309 -4.975 1.00 0.00 N ATOM 0 H ASN A 29 -3.608 7.037 -2.230 1.00 0.00 H new ATOM 0 HA ASN A 29 -3.816 9.926 -1.625 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -2.786 8.578 -3.855 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.397 9.039 -4.368 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -3.323 12.264 -5.191 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.278 10.829 -5.579 1.00 0.00 H new ATOM 484 N GLU A 30 -6.162 7.843 -2.652 1.00 0.00 N ATOM 485 CA GLU A 30 -7.605 7.637 -2.699 1.00 0.00 C ATOM 486 C GLU A 30 -7.939 6.165 -2.914 1.00 0.00 C ATOM 487 O GLU A 30 -7.168 5.425 -3.525 1.00 0.00 O ATOM 488 CB GLU A 30 -8.225 8.480 -3.815 1.00 0.00 C ATOM 489 CG GLU A 30 -9.699 8.784 -3.602 1.00 0.00 C ATOM 490 CD GLU A 30 -10.490 8.772 -4.896 1.00 0.00 C ATOM 491 OE1 GLU A 30 -10.745 7.670 -5.426 1.00 0.00 O ATOM 492 OE2 GLU A 30 -10.852 9.865 -5.380 1.00 0.00 O ATOM 0 H GLU A 30 -5.611 7.043 -2.964 1.00 0.00 H new ATOM 0 HA GLU A 30 -8.022 7.949 -1.742 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -7.677 9.419 -3.896 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -8.104 7.957 -4.764 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.122 8.051 -2.915 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -9.800 9.760 -3.128 1.00 0.00 H new ATOM 499 N GLU A 31 -9.095 5.746 -2.408 1.00 0.00 N ATOM 500 CA GLU A 31 -9.532 4.361 -2.546 1.00 0.00 C ATOM 501 C GLU A 31 -10.052 4.093 -3.955 1.00 0.00 C ATOM 502 O GLU A 31 -10.813 4.887 -4.508 1.00 0.00 O ATOM 503 CB GLU A 31 -10.622 4.044 -1.519 1.00 0.00 C ATOM 504 CG GLU A 31 -11.882 4.876 -1.692 1.00 0.00 C ATOM 505 CD GLU A 31 -12.691 4.981 -0.414 1.00 0.00 C ATOM 506 OE1 GLU A 31 -13.294 3.965 -0.009 1.00 0.00 O ATOM 507 OE2 GLU A 31 -12.721 6.078 0.182 1.00 0.00 O ATOM 0 H GLU A 31 -9.745 6.345 -1.899 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.673 3.715 -2.366 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.881 2.988 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.224 4.207 -0.517 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.609 5.876 -2.028 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.500 4.434 -2.474 1.00 0.00 H new ATOM 514 N VAL A 32 -9.634 2.970 -4.530 1.00 0.00 N ATOM 515 CA VAL A 32 -10.057 2.599 -5.875 1.00 0.00 C ATOM 516 C VAL A 32 -11.366 1.816 -5.843 1.00 0.00 C ATOM 517 O VAL A 32 -12.398 2.295 -6.312 1.00 0.00 O ATOM 518 CB VAL A 32 -8.984 1.754 -6.589 1.00 0.00 C ATOM 519 CG1 VAL A 32 -9.365 1.524 -8.044 1.00 0.00 C ATOM 520 CG2 VAL A 32 -7.620 2.422 -6.486 1.00 0.00 C ATOM 0 H VAL A 32 -9.004 2.302 -4.086 1.00 0.00 H new ATOM 0 HA VAL A 32 -10.205 3.527 -6.427 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.925 0.784 -6.095 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -8.595 0.926 -8.531 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -10.318 0.998 -8.092 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -9.455 2.484 -8.553 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -6.876 1.810 -6.996 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -7.661 3.407 -6.951 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.345 2.528 -5.437 1.00 0.00 H new ATOM 530 N GLU A 33 -11.316 0.610 -5.287 1.00 0.00 N ATOM 531 CA GLU A 33 -12.498 -0.238 -5.194 1.00 0.00 C ATOM 532 C GLU A 33 -12.616 -0.859 -3.806 1.00 0.00 C ATOM 533 O GLU A 33 -11.698 -0.761 -2.991 1.00 0.00 O ATOM 534 CB GLU A 33 -12.445 -1.339 -6.255 1.00 0.00 C ATOM 535 CG GLU A 33 -12.876 -0.874 -7.636 1.00 0.00 C ATOM 536 CD GLU A 33 -14.362 -0.589 -7.719 1.00 0.00 C ATOM 537 OE1 GLU A 33 -15.158 -1.466 -7.320 1.00 0.00 O ATOM 538 OE2 GLU A 33 -14.732 0.510 -8.182 1.00 0.00 O ATOM 0 H GLU A 33 -10.470 0.198 -4.894 1.00 0.00 H new ATOM 0 HA GLU A 33 -13.375 0.385 -5.369 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.428 -1.728 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.085 -2.164 -5.943 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.322 0.027 -7.901 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.615 -1.637 -8.370 1.00 0.00 H new ATOM 545 N GLU A 34 -13.751 -1.499 -3.544 1.00 0.00 N ATOM 546 CA GLU A 34 -13.989 -2.137 -2.255 1.00 0.00 C ATOM 547 C GLU A 34 -13.062 -3.333 -2.061 1.00 0.00 C ATOM 548 O GLU A 34 -13.398 -4.458 -2.433 1.00 0.00 O ATOM 549 CB GLU A 34 -15.448 -2.585 -2.146 1.00 0.00 C ATOM 550 CG GLU A 34 -16.352 -1.556 -1.487 1.00 0.00 C ATOM 551 CD GLU A 34 -16.932 -0.568 -2.480 1.00 0.00 C ATOM 552 OE1 GLU A 34 -17.648 -1.007 -3.405 1.00 0.00 O ATOM 553 OE2 GLU A 34 -16.671 0.644 -2.332 1.00 0.00 O ATOM 0 H GLU A 34 -14.520 -1.589 -4.208 1.00 0.00 H new ATOM 0 HA GLU A 34 -13.781 -1.408 -1.472 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.828 -2.804 -3.144 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.493 -3.514 -1.577 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.165 -2.068 -0.973 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -15.787 -1.014 -0.729 1.00 0.00 H new ATOM 560 N GLY A 35 -11.895 -3.082 -1.477 1.00 0.00 N ATOM 561 CA GLY A 35 -10.938 -4.148 -1.245 1.00 0.00 C ATOM 562 C GLY A 35 -9.568 -3.837 -1.815 1.00 0.00 C ATOM 563 O GLY A 35 -8.564 -4.397 -1.374 1.00 0.00 O ATOM 0 H GLY A 35 -11.595 -2.160 -1.160 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -10.850 -4.325 -0.173 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -11.312 -5.070 -1.690 1.00 0.00 H new ATOM 567 N TRP A 36 -9.525 -2.944 -2.800 1.00 0.00 N ATOM 568 CA TRP A 36 -8.266 -2.563 -3.431 1.00 0.00 C ATOM 569 C TRP A 36 -7.963 -1.087 -3.193 1.00 0.00 C ATOM 570 O TRP A 36 -8.823 -0.227 -3.381 1.00 0.00 O ATOM 571 CB TRP A 36 -8.318 -2.849 -4.932 1.00 0.00 C ATOM 572 CG TRP A 36 -8.720 -4.256 -5.255 1.00 0.00 C ATOM 573 CD1 TRP A 36 -9.991 -4.731 -5.404 1.00 0.00 C ATOM 574 CD2 TRP A 36 -7.846 -5.371 -5.467 1.00 0.00 C ATOM 575 NE1 TRP A 36 -9.961 -6.073 -5.696 1.00 0.00 N ATOM 576 CE2 TRP A 36 -8.656 -6.489 -5.741 1.00 0.00 C ATOM 577 CE3 TRP A 36 -6.457 -5.533 -5.454 1.00 0.00 C ATOM 578 CZ2 TRP A 36 -8.124 -7.750 -5.999 1.00 0.00 C ATOM 579 CZ3 TRP A 36 -5.930 -6.785 -5.709 1.00 0.00 C ATOM 580 CH2 TRP A 36 -6.762 -7.879 -5.979 1.00 0.00 C ATOM 0 H TRP A 36 -10.346 -2.472 -3.178 1.00 0.00 H new ATOM 0 HA TRP A 36 -7.469 -3.156 -2.982 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -9.021 -2.161 -5.402 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -7.339 -2.650 -5.367 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -10.889 -4.139 -5.307 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -10.777 -6.664 -5.854 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -5.808 -4.695 -5.248 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.763 -8.595 -6.207 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.859 -6.922 -5.700 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -6.319 -8.844 -6.175 1.00 0.00 H new ATOM 591 N TRP A 37 -6.733 -0.800 -2.777 1.00 0.00 N ATOM 592 CA TRP A 37 -6.313 0.572 -2.513 1.00 0.00 C ATOM 593 C TRP A 37 -5.131 0.959 -3.396 1.00 0.00 C ATOM 594 O TRP A 37 -4.444 0.096 -3.942 1.00 0.00 O ATOM 595 CB TRP A 37 -5.941 0.738 -1.038 1.00 0.00 C ATOM 596 CG TRP A 37 -7.069 1.251 -0.195 1.00 0.00 C ATOM 597 CD1 TRP A 37 -8.405 1.100 -0.433 1.00 0.00 C ATOM 598 CD2 TRP A 37 -6.959 1.999 1.022 1.00 0.00 C ATOM 599 NE1 TRP A 37 -9.132 1.708 0.562 1.00 0.00 N ATOM 600 CE2 TRP A 37 -8.267 2.266 1.466 1.00 0.00 C ATOM 601 CE3 TRP A 37 -5.881 2.467 1.779 1.00 0.00 C ATOM 602 CZ2 TRP A 37 -8.526 2.981 2.633 1.00 0.00 C ATOM 603 CZ3 TRP A 37 -6.139 3.176 2.937 1.00 0.00 C ATOM 604 CH2 TRP A 37 -7.452 3.427 3.355 1.00 0.00 C ATOM 0 H TRP A 37 -6.009 -1.500 -2.615 1.00 0.00 H new ATOM 0 HA TRP A 37 -7.148 1.233 -2.746 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -5.610 -0.223 -0.644 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -5.097 1.423 -0.958 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -8.828 0.579 -1.279 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -10.150 1.739 0.618 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -4.865 2.278 1.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -9.538 3.176 2.957 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -5.314 3.543 3.530 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -7.620 3.984 4.265 1.00 0.00 H new ATOM 615 N SER A 38 -4.901 2.261 -3.531 1.00 0.00 N ATOM 616 CA SER A 38 -3.801 2.762 -4.348 1.00 0.00 C ATOM 617 C SER A 38 -2.748 3.446 -3.483 1.00 0.00 C ATOM 618 O SER A 38 -3.047 3.940 -2.396 1.00 0.00 O ATOM 619 CB SER A 38 -4.326 3.740 -5.401 1.00 0.00 C ATOM 620 OG SER A 38 -4.947 3.052 -6.473 1.00 0.00 O ATOM 0 H SER A 38 -5.461 2.988 -3.086 1.00 0.00 H new ATOM 0 HA SER A 38 -3.337 1.912 -4.849 1.00 0.00 H new ATOM 0 HB2 SER A 38 -5.040 4.424 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.503 4.345 -5.782 1.00 0.00 H new ATOM 0 HG SER A 38 -5.275 3.700 -7.131 1.00 0.00 H new ATOM 626 N GLY A 39 -1.512 3.471 -3.973 1.00 0.00 N ATOM 627 CA GLY A 39 -0.432 4.097 -3.233 1.00 0.00 C ATOM 628 C GLY A 39 0.777 4.383 -4.101 1.00 0.00 C ATOM 629 O GLY A 39 0.837 3.953 -5.253 1.00 0.00 O ATOM 0 H GLY A 39 -1.240 3.069 -4.870 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -0.789 5.029 -2.794 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -0.138 3.448 -2.408 1.00 0.00 H new ATOM 633 N THR A 40 1.742 5.110 -3.549 1.00 0.00 N ATOM 634 CA THR A 40 2.955 5.453 -4.281 1.00 0.00 C ATOM 635 C THR A 40 4.195 5.210 -3.426 1.00 0.00 C ATOM 636 O THR A 40 4.376 5.840 -2.384 1.00 0.00 O ATOM 637 CB THR A 40 2.909 6.915 -4.729 1.00 0.00 C ATOM 638 OG1 THR A 40 1.652 7.224 -5.303 1.00 0.00 O ATOM 639 CG2 THR A 40 3.976 7.263 -5.745 1.00 0.00 C ATOM 0 H THR A 40 1.708 5.473 -2.596 1.00 0.00 H new ATOM 0 HA THR A 40 3.012 4.812 -5.161 1.00 0.00 H new ATOM 0 HB THR A 40 3.085 7.500 -3.826 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.642 8.163 -5.582 1.00 0.00 H new ATOM 0 HG21 THR A 40 3.887 8.314 -6.020 1.00 0.00 H new ATOM 0 HG22 THR A 40 4.961 7.082 -5.315 1.00 0.00 H new ATOM 0 HG23 THR A 40 3.849 6.644 -6.633 1.00 0.00 H new ATOM 647 N LEU A 41 5.045 4.292 -3.873 1.00 0.00 N ATOM 648 CA LEU A 41 6.268 3.965 -3.149 1.00 0.00 C ATOM 649 C LEU A 41 7.286 5.096 -3.263 1.00 0.00 C ATOM 650 O LEU A 41 7.667 5.705 -2.264 1.00 0.00 O ATOM 651 CB LEU A 41 6.870 2.664 -3.684 1.00 0.00 C ATOM 652 CG LEU A 41 8.115 2.173 -2.942 1.00 0.00 C ATOM 653 CD1 LEU A 41 8.107 0.656 -2.830 1.00 0.00 C ATOM 654 CD2 LEU A 41 9.377 2.651 -3.644 1.00 0.00 C ATOM 0 H LEU A 41 4.910 3.761 -4.733 1.00 0.00 H new ATOM 0 HA LEU A 41 6.014 3.833 -2.097 1.00 0.00 H new ATOM 0 HB2 LEU A 41 6.109 1.885 -3.641 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.124 2.804 -4.735 1.00 0.00 H new ATOM 0 HG LEU A 41 8.103 2.591 -1.935 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.000 0.326 -2.299 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.220 0.336 -2.282 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.095 0.218 -3.828 1.00 0.00 H new ATOM 0 HD21 LEU A 41 10.252 2.293 -3.103 1.00 0.00 H new ATOM 0 HD22 LEU A 41 9.396 2.263 -4.662 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.388 3.741 -3.671 1.00 0.00 H new ATOM 666 N ASN A 42 7.721 5.371 -4.489 1.00 0.00 N ATOM 667 CA ASN A 42 8.694 6.430 -4.735 1.00 0.00 C ATOM 668 C ASN A 42 8.253 7.310 -5.900 1.00 0.00 C ATOM 669 O ASN A 42 8.016 8.507 -5.733 1.00 0.00 O ATOM 670 CB ASN A 42 10.072 5.828 -5.023 1.00 0.00 C ATOM 671 CG ASN A 42 11.023 5.976 -3.851 1.00 0.00 C ATOM 672 OD1 ASN A 42 10.741 5.515 -2.746 1.00 0.00 O ATOM 673 ND2 ASN A 42 12.157 6.625 -4.089 1.00 0.00 N ATOM 0 H ASN A 42 7.415 4.876 -5.327 1.00 0.00 H new ATOM 0 HA ASN A 42 8.758 7.049 -3.840 1.00 0.00 H new ATOM 0 HB2 ASN A 42 9.960 4.771 -5.266 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.502 6.313 -5.900 1.00 0.00 H new ATOM 0 HD21 ASN A 42 12.836 6.758 -3.339 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.349 6.991 -5.022 1.00 0.00 H new ATOM 680 N ASN A 43 8.145 6.709 -7.080 1.00 0.00 N ATOM 681 CA ASN A 43 7.731 7.437 -8.274 1.00 0.00 C ATOM 682 C ASN A 43 6.915 6.543 -9.206 1.00 0.00 C ATOM 683 O ASN A 43 6.813 6.809 -10.403 1.00 0.00 O ATOM 684 CB ASN A 43 8.955 7.982 -9.013 1.00 0.00 C ATOM 685 CG ASN A 43 9.249 9.426 -8.657 1.00 0.00 C ATOM 686 OD1 ASN A 43 9.952 9.708 -7.687 1.00 0.00 O ATOM 687 ND2 ASN A 43 8.709 10.351 -9.443 1.00 0.00 N ATOM 0 H ASN A 43 8.338 5.720 -7.235 1.00 0.00 H new ATOM 0 HA ASN A 43 7.102 8.270 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 43 9.823 7.368 -8.775 1.00 0.00 H new ATOM 0 HB3 ASN A 43 8.793 7.901 -10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 43 8.871 11.340 -9.253 1.00 0.00 H new ATOM 0 HD22 ASN A 43 8.132 10.072 -10.237 1.00 0.00 H new ATOM 694 N LYS A 44 6.334 5.484 -8.650 1.00 0.00 N ATOM 695 CA LYS A 44 5.528 4.555 -9.433 1.00 0.00 C ATOM 696 C LYS A 44 4.158 4.352 -8.792 1.00 0.00 C ATOM 697 O LYS A 44 4.046 4.222 -7.573 1.00 0.00 O ATOM 698 CB LYS A 44 6.248 3.211 -9.570 1.00 0.00 C ATOM 699 CG LYS A 44 6.407 2.751 -11.010 1.00 0.00 C ATOM 700 CD LYS A 44 5.329 1.752 -11.398 1.00 0.00 C ATOM 701 CE LYS A 44 4.857 1.969 -12.827 1.00 0.00 C ATOM 702 NZ LYS A 44 5.846 1.466 -13.820 1.00 0.00 N ATOM 0 H LYS A 44 6.407 5.248 -7.660 1.00 0.00 H new ATOM 0 HA LYS A 44 5.385 4.983 -10.425 1.00 0.00 H new ATOM 0 HB2 LYS A 44 7.234 3.288 -9.111 1.00 0.00 H new ATOM 0 HB3 LYS A 44 5.695 2.454 -9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 44 6.362 3.613 -11.675 1.00 0.00 H new ATOM 0 HG3 LYS A 44 7.389 2.297 -11.142 1.00 0.00 H new ATOM 0 HD2 LYS A 44 5.715 0.738 -11.291 1.00 0.00 H new ATOM 0 HD3 LYS A 44 4.483 1.844 -10.716 1.00 0.00 H new ATOM 0 HE2 LYS A 44 3.903 1.462 -12.975 1.00 0.00 H new ATOM 0 HE3 LYS A 44 4.683 3.032 -12.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 5.487 1.632 -14.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 6.749 1.967 -13.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 5.994 0.446 -13.677 1.00 0.00 H new ATOM 716 N LEU A 45 3.120 4.326 -9.620 1.00 0.00 N ATOM 717 CA LEU A 45 1.759 4.138 -9.132 1.00 0.00 C ATOM 718 C LEU A 45 1.215 2.775 -9.545 1.00 0.00 C ATOM 719 O LEU A 45 0.974 2.523 -10.725 1.00 0.00 O ATOM 720 CB LEU A 45 0.847 5.247 -9.662 1.00 0.00 C ATOM 721 CG LEU A 45 -0.602 5.182 -9.174 1.00 0.00 C ATOM 722 CD1 LEU A 45 -1.136 6.580 -8.896 1.00 0.00 C ATOM 723 CD2 LEU A 45 -1.477 4.469 -10.194 1.00 0.00 C ATOM 0 H LEU A 45 3.195 4.433 -10.632 1.00 0.00 H new ATOM 0 HA LEU A 45 1.781 4.184 -8.043 1.00 0.00 H new ATOM 0 HB2 LEU A 45 1.268 6.211 -9.376 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.850 5.209 -10.751 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.626 4.614 -8.244 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.167 6.513 -8.550 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.526 7.057 -8.129 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.097 7.173 -9.810 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.504 4.432 -9.830 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.447 5.009 -11.140 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -1.108 3.454 -10.343 1.00 0.00 H new ATOM 735 N GLY A 46 1.025 1.898 -8.564 1.00 0.00 N ATOM 736 CA GLY A 46 0.511 0.570 -8.843 1.00 0.00 C ATOM 737 C GLY A 46 -0.800 0.296 -8.134 1.00 0.00 C ATOM 738 O GLY A 46 -1.505 1.225 -7.738 1.00 0.00 O ATOM 0 H GLY A 46 1.218 2.084 -7.580 1.00 0.00 H new ATOM 0 HA2 GLY A 46 0.370 0.457 -9.918 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.248 -0.173 -8.538 1.00 0.00 H new ATOM 742 N LEU A 47 -1.130 -0.982 -7.972 1.00 0.00 N ATOM 743 CA LEU A 47 -2.367 -1.371 -7.305 1.00 0.00 C ATOM 744 C LEU A 47 -2.171 -2.649 -6.495 1.00 0.00 C ATOM 745 O LEU A 47 -1.372 -3.511 -6.859 1.00 0.00 O ATOM 746 CB LEU A 47 -3.482 -1.572 -8.334 1.00 0.00 C ATOM 747 CG LEU A 47 -4.893 -1.238 -7.843 1.00 0.00 C ATOM 748 CD1 LEU A 47 -5.370 -2.274 -6.836 1.00 0.00 C ATOM 749 CD2 LEU A 47 -4.932 0.157 -7.237 1.00 0.00 C ATOM 0 H LEU A 47 -0.559 -1.764 -8.293 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.650 -0.570 -6.622 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.264 -0.957 -9.207 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -3.466 -2.611 -8.664 1.00 0.00 H new ATOM 0 HG LEU A 47 -5.567 -1.259 -8.699 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -6.375 -2.018 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.384 -3.258 -7.305 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -4.694 -2.289 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -5.943 0.376 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -4.244 0.207 -6.393 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.637 0.889 -7.989 1.00 0.00 H new ATOM 761 N PHE A 48 -2.908 -2.764 -5.395 1.00 0.00 N ATOM 762 CA PHE A 48 -2.820 -3.938 -4.533 1.00 0.00 C ATOM 763 C PHE A 48 -3.984 -3.975 -3.545 1.00 0.00 C ATOM 764 O PHE A 48 -4.628 -2.956 -3.294 1.00 0.00 O ATOM 765 CB PHE A 48 -1.488 -3.958 -3.774 1.00 0.00 C ATOM 766 CG PHE A 48 -0.865 -2.601 -3.594 1.00 0.00 C ATOM 767 CD1 PHE A 48 -1.620 -1.531 -3.143 1.00 0.00 C ATOM 768 CD2 PHE A 48 0.476 -2.399 -3.877 1.00 0.00 C ATOM 769 CE1 PHE A 48 -1.049 -0.283 -2.978 1.00 0.00 C ATOM 770 CE2 PHE A 48 1.053 -1.155 -3.713 1.00 0.00 C ATOM 771 CZ PHE A 48 0.290 -0.095 -3.263 1.00 0.00 C ATOM 0 H PHE A 48 -3.573 -2.058 -5.079 1.00 0.00 H new ATOM 0 HA PHE A 48 -2.873 -4.822 -5.168 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -1.647 -4.406 -2.793 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -0.787 -4.600 -4.308 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.667 -1.673 -2.918 1.00 0.00 H new ATOM 0 HD2 PHE A 48 1.077 -3.224 -4.230 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.648 0.544 -2.627 1.00 0.00 H new ATOM 0 HE2 PHE A 48 2.100 -1.011 -3.936 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.739 0.879 -3.134 1.00 0.00 H new ATOM 781 N PRO A 49 -4.271 -5.156 -2.971 1.00 0.00 N ATOM 782 CA PRO A 49 -5.367 -5.322 -2.009 1.00 0.00 C ATOM 783 C PRO A 49 -5.218 -4.407 -0.798 1.00 0.00 C ATOM 784 O PRO A 49 -4.194 -4.424 -0.115 1.00 0.00 O ATOM 785 CB PRO A 49 -5.257 -6.790 -1.584 1.00 0.00 C ATOM 786 CG PRO A 49 -4.507 -7.455 -2.686 1.00 0.00 C ATOM 787 CD PRO A 49 -3.558 -6.420 -3.218 1.00 0.00 C ATOM 0 HA PRO A 49 -6.331 -5.064 -2.447 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -4.732 -6.888 -0.634 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -6.242 -7.237 -1.451 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.968 -8.329 -2.320 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -5.184 -7.802 -3.466 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.599 -6.449 -2.702 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.354 -6.567 -4.279 1.00 0.00 H new ATOM 795 N SER A 50 -6.249 -3.610 -0.538 1.00 0.00 N ATOM 796 CA SER A 50 -6.241 -2.686 0.590 1.00 0.00 C ATOM 797 C SER A 50 -6.169 -3.436 1.918 1.00 0.00 C ATOM 798 O SER A 50 -5.797 -2.865 2.943 1.00 0.00 O ATOM 799 CB SER A 50 -7.490 -1.803 0.560 1.00 0.00 C ATOM 800 OG SER A 50 -7.512 -0.911 1.661 1.00 0.00 O ATOM 0 H SER A 50 -7.103 -3.586 -1.095 1.00 0.00 H new ATOM 0 HA SER A 50 -5.354 -2.059 0.502 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.516 -1.237 -0.371 1.00 0.00 H new ATOM 0 HB3 SER A 50 -8.382 -2.429 0.578 1.00 0.00 H new ATOM 0 HG SER A 50 -7.697 -0.003 1.343 1.00 0.00 H new ATOM 806 N ASN A 51 -6.529 -4.716 1.895 1.00 0.00 N ATOM 807 CA ASN A 51 -6.506 -5.536 3.100 1.00 0.00 C ATOM 808 C ASN A 51 -5.090 -5.654 3.656 1.00 0.00 C ATOM 809 O ASN A 51 -4.901 -5.874 4.852 1.00 0.00 O ATOM 810 CB ASN A 51 -7.067 -6.928 2.805 1.00 0.00 C ATOM 811 CG ASN A 51 -7.865 -7.489 3.965 1.00 0.00 C ATOM 812 OD1 ASN A 51 -8.203 -6.770 4.906 1.00 0.00 O ATOM 813 ND2 ASN A 51 -8.170 -8.780 3.905 1.00 0.00 N ATOM 0 H ASN A 51 -6.839 -5.206 1.056 1.00 0.00 H new ATOM 0 HA ASN A 51 -7.130 -5.050 3.850 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.702 -6.880 1.920 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -6.246 -7.605 2.572 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -8.705 -9.213 4.658 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -7.869 -9.338 3.106 1.00 0.00 H new ATOM 820 N PHE A 52 -4.097 -5.506 2.784 1.00 0.00 N ATOM 821 CA PHE A 52 -2.702 -5.595 3.199 1.00 0.00 C ATOM 822 C PHE A 52 -2.280 -4.332 3.951 1.00 0.00 C ATOM 823 O PHE A 52 -2.406 -4.273 5.173 1.00 0.00 O ATOM 824 CB PHE A 52 -1.800 -5.828 1.984 1.00 0.00 C ATOM 825 CG PHE A 52 -1.527 -7.280 1.710 1.00 0.00 C ATOM 826 CD1 PHE A 52 -0.559 -7.964 2.427 1.00 0.00 C ATOM 827 CD2 PHE A 52 -2.241 -7.959 0.736 1.00 0.00 C ATOM 828 CE1 PHE A 52 -0.307 -9.299 2.177 1.00 0.00 C ATOM 829 CE2 PHE A 52 -1.993 -9.295 0.482 1.00 0.00 C ATOM 830 CZ PHE A 52 -1.025 -9.966 1.203 1.00 0.00 C ATOM 0 H PHE A 52 -4.232 -5.325 1.789 1.00 0.00 H new ATOM 0 HA PHE A 52 -2.596 -6.443 3.876 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -2.265 -5.382 1.105 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.853 -5.312 2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 52 0.005 -7.448 3.190 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.999 -7.439 0.169 1.00 0.00 H new ATOM 0 HE1 PHE A 52 0.451 -9.821 2.742 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -2.556 -9.814 -0.280 1.00 0.00 H new ATOM 0 HZ PHE A 52 -0.830 -11.010 1.006 1.00 0.00 H new ATOM 840 N VAL A 53 -1.779 -3.333 3.208 1.00 0.00 N ATOM 841 CA VAL A 53 -1.332 -2.047 3.771 1.00 0.00 C ATOM 842 C VAL A 53 -1.854 -1.795 5.185 1.00 0.00 C ATOM 843 O VAL A 53 -2.982 -2.161 5.516 1.00 0.00 O ATOM 844 CB VAL A 53 -1.761 -0.874 2.871 1.00 0.00 C ATOM 845 CG1 VAL A 53 -0.959 -0.871 1.579 1.00 0.00 C ATOM 846 CG2 VAL A 53 -3.253 -0.940 2.583 1.00 0.00 C ATOM 0 H VAL A 53 -1.672 -3.394 2.195 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.245 -2.111 3.820 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.558 0.058 3.398 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.276 -0.035 0.956 1.00 0.00 H new ATOM 0 HG12 VAL A 53 0.102 -0.770 1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.127 -1.806 1.044 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -3.538 -0.103 1.946 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.485 -1.877 2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.807 -0.887 3.520 1.00 0.00 H new ATOM 856 N LYS A 54 -1.040 -1.144 6.011 1.00 0.00 N ATOM 857 CA LYS A 54 -1.444 -0.837 7.377 1.00 0.00 C ATOM 858 C LYS A 54 -1.406 0.663 7.645 1.00 0.00 C ATOM 859 O LYS A 54 -0.372 1.308 7.480 1.00 0.00 O ATOM 860 CB LYS A 54 -0.563 -1.568 8.390 1.00 0.00 C ATOM 861 CG LYS A 54 -1.304 -1.978 9.652 1.00 0.00 C ATOM 862 CD LYS A 54 -0.892 -1.128 10.844 1.00 0.00 C ATOM 863 CE LYS A 54 -1.768 -1.404 12.056 1.00 0.00 C ATOM 864 NZ LYS A 54 -2.816 -0.361 12.233 1.00 0.00 N ATOM 0 H LYS A 54 -0.105 -0.822 5.760 1.00 0.00 H new ATOM 0 HA LYS A 54 -2.471 -1.182 7.493 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -0.143 -2.457 7.920 1.00 0.00 H new ATOM 0 HB3 LYS A 54 0.274 -0.925 8.662 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -2.378 -1.884 9.491 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -1.105 -3.028 9.867 1.00 0.00 H new ATOM 0 HD2 LYS A 54 0.150 -1.330 11.093 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -0.958 -0.073 10.579 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.242 -2.380 11.947 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -1.146 -1.450 12.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -2.932 -0.154 13.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.532 0.505 11.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -3.717 -0.705 11.844 1.00 0.00 H new ATOM 878 N GLU A 55 -2.542 1.212 8.063 1.00 0.00 N ATOM 879 CA GLU A 55 -2.639 2.637 8.357 1.00 0.00 C ATOM 880 C GLU A 55 -1.960 2.969 9.682 1.00 0.00 C ATOM 881 O GLU A 55 -2.126 2.256 10.672 1.00 0.00 O ATOM 882 CB GLU A 55 -4.106 3.072 8.400 1.00 0.00 C ATOM 883 CG GLU A 55 -4.979 2.182 9.268 1.00 0.00 C ATOM 884 CD GLU A 55 -6.228 2.890 9.758 1.00 0.00 C ATOM 885 OE1 GLU A 55 -6.095 3.959 10.389 1.00 0.00 O ATOM 886 OE2 GLU A 55 -7.338 2.375 9.509 1.00 0.00 O ATOM 0 H GLU A 55 -3.408 0.692 8.206 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.128 3.181 7.562 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.162 4.095 8.771 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.504 3.079 7.385 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.266 1.297 8.701 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -4.401 1.837 10.125 1.00 0.00 H new ATOM 893 N LEU A 56 -1.195 4.055 9.693 1.00 0.00 N ATOM 894 CA LEU A 56 -0.490 4.483 10.896 1.00 0.00 C ATOM 895 C LEU A 56 -1.474 4.902 11.983 1.00 0.00 C ATOM 896 O LEU A 56 -2.686 4.746 11.832 1.00 0.00 O ATOM 897 CB LEU A 56 0.458 5.640 10.571 1.00 0.00 C ATOM 898 CG LEU A 56 1.926 5.246 10.399 1.00 0.00 C ATOM 899 CD1 LEU A 56 2.583 6.089 9.318 1.00 0.00 C ATOM 900 CD2 LEU A 56 2.673 5.389 11.717 1.00 0.00 C ATOM 0 H LEU A 56 -1.047 4.656 8.882 1.00 0.00 H new ATOM 0 HA LEU A 56 0.093 3.640 11.267 1.00 0.00 H new ATOM 0 HB2 LEU A 56 0.117 6.122 9.655 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.388 6.382 11.367 1.00 0.00 H new ATOM 0 HG LEU A 56 1.968 4.201 10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.627 5.794 9.211 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.064 5.937 8.372 1.00 0.00 H new ATOM 0 HD13 LEU A 56 2.530 7.142 9.595 1.00 0.00 H new ATOM 0 HD21 LEU A 56 3.716 5.105 11.577 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.621 6.424 12.054 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.218 4.741 12.466 1.00 0.00 H new ATOM 912 N GLU A 57 -0.944 5.434 13.080 1.00 0.00 N ATOM 913 CA GLU A 57 -1.775 5.876 14.194 1.00 0.00 C ATOM 914 C GLU A 57 -1.292 7.217 14.736 1.00 0.00 C ATOM 915 O GLU A 57 -0.167 7.332 15.223 1.00 0.00 O ATOM 916 CB GLU A 57 -1.768 4.829 15.309 1.00 0.00 C ATOM 917 CG GLU A 57 -0.381 4.305 15.643 1.00 0.00 C ATOM 918 CD GLU A 57 -0.176 4.106 17.132 1.00 0.00 C ATOM 919 OE1 GLU A 57 -0.714 4.914 17.919 1.00 0.00 O ATOM 920 OE2 GLU A 57 0.521 3.142 17.512 1.00 0.00 O ATOM 0 H GLU A 57 0.057 5.569 13.221 1.00 0.00 H new ATOM 0 HA GLU A 57 -2.794 6.000 13.827 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -2.209 5.263 16.206 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -2.402 3.993 15.015 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.221 3.358 15.128 1.00 0.00 H new ATOM 0 HG3 GLU A 57 0.367 5.003 15.267 1.00 0.00 H new ATOM 927 N LEU A 58 -2.149 8.229 14.649 1.00 0.00 N ATOM 928 CA LEU A 58 -1.811 9.563 15.131 1.00 0.00 C ATOM 929 C LEU A 58 -3.055 10.295 15.623 1.00 0.00 C ATOM 930 O LEU A 58 -3.832 10.822 14.826 1.00 0.00 O ATOM 931 CB LEU A 58 -1.133 10.372 14.024 1.00 0.00 C ATOM 932 CG LEU A 58 -1.863 10.370 12.680 1.00 0.00 C ATOM 933 CD1 LEU A 58 -1.661 11.694 11.960 1.00 0.00 C ATOM 934 CD2 LEU A 58 -1.383 9.213 11.816 1.00 0.00 C ATOM 0 H LEU A 58 -3.084 8.150 14.249 1.00 0.00 H new ATOM 0 HA LEU A 58 -1.120 9.455 15.967 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -1.028 11.403 14.361 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.127 9.981 13.874 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.929 10.241 12.867 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.188 11.673 11.006 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -2.053 12.505 12.573 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -0.597 11.854 11.784 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.912 9.226 10.863 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -0.312 9.312 11.637 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.580 8.271 12.327 1.00 0.00 H new ATOM 946 N GLU A 59 -3.238 10.323 16.939 1.00 0.00 N ATOM 947 CA GLU A 59 -4.389 10.991 17.536 1.00 0.00 C ATOM 948 C GLU A 59 -5.692 10.363 17.054 1.00 0.00 C ATOM 949 O GLU A 59 -6.063 10.496 15.888 1.00 0.00 O ATOM 950 CB GLU A 59 -4.371 12.483 17.198 1.00 0.00 C ATOM 951 CG GLU A 59 -3.679 13.337 18.248 1.00 0.00 C ATOM 952 CD GLU A 59 -2.793 14.406 17.639 1.00 0.00 C ATOM 953 OE1 GLU A 59 -1.695 14.062 17.155 1.00 0.00 O ATOM 954 OE2 GLU A 59 -3.198 15.587 17.647 1.00 0.00 O ATOM 0 H GLU A 59 -2.605 9.891 17.612 1.00 0.00 H new ATOM 0 HA GLU A 59 -4.328 10.871 18.618 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.871 12.624 16.240 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.397 12.832 17.076 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.431 13.810 18.879 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.078 12.696 18.893 1.00 0.00 H new ATOM 961 N HIS A 60 -6.384 9.678 17.959 1.00 0.00 N ATOM 962 CA HIS A 60 -7.646 9.029 17.626 1.00 0.00 C ATOM 963 C HIS A 60 -8.725 10.062 17.317 1.00 0.00 C ATOM 964 O HIS A 60 -9.030 10.883 18.208 1.00 0.00 O ATOM 965 CB HIS A 60 -8.101 8.129 18.777 1.00 0.00 C ATOM 966 CG HIS A 60 -9.359 7.373 18.484 1.00 0.00 C ATOM 967 ND1 HIS A 60 -10.432 7.332 19.350 1.00 0.00 N ATOM 968 CD2 HIS A 60 -9.715 6.626 17.412 1.00 0.00 C ATOM 969 CE1 HIS A 60 -11.392 6.592 18.824 1.00 0.00 C ATOM 970 NE2 HIS A 60 -10.982 6.153 17.648 1.00 0.00 N ATOM 0 H HIS A 60 -6.091 9.558 18.929 1.00 0.00 H new ATOM 0 HA HIS A 60 -7.487 8.419 16.737 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -7.306 7.420 19.009 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -8.253 8.740 19.667 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -9.114 6.437 16.535 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -12.349 6.382 19.278 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -11.520 5.559 17.017 1.00 0.00 H new TER 979 HIS A 60