USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 713 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 5 THR OG1 : rot 180:sc= 0.103 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -134:sc= -4.87! USER MOD Single : A 13 LYS NZ :NH3+ 147:sc= -1.5 (180deg=-2.81!) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -155:sc= -4.8! (180deg=-6.89!) USER MOD Single : A 31 LYS NZ :NH3+ 145:sc= -0.013 (180deg=-0.14) USER MOD Single : A 32 LYS NZ :NH3+ -150:sc= -0.155 (180deg=-1.2) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0.0305 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0031 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.0378 K(o=-0.038,f=-1.3) USER MOD Single : A 50 SER OG : rot 45:sc= 1.23 USER MOD Single : A 51 ASN : amide:sc= -4.55! C(o=-4.6!,f=-6.5!) USER MOD Single : A 52 HIS : no HE2:sc= -0.235 K(o=-0.24,f=-2.3!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -1.15 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 ASN : amide:sc= -0.0225 X(o=-0.023,f=-0.009) USER MOD Single : A 61 SER OG : rot 180:sc= -0.226 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.3 X(o=-0.3,f=-0.078) USER MOD Single : A 78 HIS :FLIP no HD1:sc= -1.96! C(o=-3.4!,f=-2!) USER MOD Single : A 79 THR OG1 : rot -60:sc= 1.18 USER MOD Single : A 80 THR OG1 : rot 180:sc= -0.0199 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 HIS : no HD1:sc= -0.257 X(o=-0.26,f=-0.44) USER MOD ----------------------------------------------------------------- ATOM 22 N PHE A 2 -11.923 17.740 -4.543 1.00 0.00 N ATOM 23 CA PHE A 2 -11.593 16.568 -5.347 1.00 0.00 C ATOM 24 C PHE A 2 -10.796 15.555 -4.530 1.00 0.00 C ATOM 25 O PHE A 2 -10.409 15.829 -3.394 1.00 0.00 O ATOM 26 CB PHE A 2 -10.795 16.976 -6.590 1.00 0.00 C ATOM 27 CG PHE A 2 -9.811 18.086 -6.342 1.00 0.00 C ATOM 28 CD1 PHE A 2 -8.903 18.005 -5.298 1.00 0.00 C ATOM 29 CD2 PHE A 2 -9.796 19.209 -7.153 1.00 0.00 C ATOM 30 CE1 PHE A 2 -7.999 19.025 -5.069 1.00 0.00 C ATOM 31 CE2 PHE A 2 -8.895 20.232 -6.928 1.00 0.00 C ATOM 32 CZ PHE A 2 -7.994 20.140 -5.885 1.00 0.00 C ATOM 0 HA PHE A 2 -12.528 16.104 -5.662 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.259 16.106 -6.968 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -11.490 17.286 -7.371 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -8.902 17.136 -4.657 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -10.497 19.286 -7.971 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -7.296 18.951 -4.252 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -8.895 21.103 -7.567 1.00 0.00 H new ATOM 0 HZ PHE A 2 -7.288 20.937 -5.708 1.00 0.00 H new ATOM 42 N ILE A 3 -10.554 14.387 -5.114 1.00 0.00 N ATOM 43 CA ILE A 3 -9.802 13.336 -4.437 1.00 0.00 C ATOM 44 C ILE A 3 -8.409 13.182 -5.039 1.00 0.00 C ATOM 45 O ILE A 3 -8.252 13.130 -6.259 1.00 0.00 O ATOM 46 CB ILE A 3 -10.536 11.985 -4.509 1.00 0.00 C ATOM 47 CG1 ILE A 3 -11.993 12.148 -4.073 1.00 0.00 C ATOM 48 CG2 ILE A 3 -9.831 10.951 -3.643 1.00 0.00 C ATOM 49 CD1 ILE A 3 -12.147 12.558 -2.625 1.00 0.00 C ATOM 0 H ILE A 3 -10.867 14.144 -6.054 1.00 0.00 H new ATOM 0 HA ILE A 3 -9.711 13.634 -3.392 1.00 0.00 H new ATOM 0 HB ILE A 3 -10.522 11.636 -5.541 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -12.472 12.894 -4.707 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -12.520 11.207 -4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -10.362 10.001 -3.705 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -8.808 10.818 -3.995 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -9.817 11.292 -2.608 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -13.206 12.655 -2.385 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -11.697 11.801 -1.983 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -11.649 13.514 -2.463 1.00 0.00 H new ATOM 61 N ALA A 4 -7.402 13.110 -4.175 1.00 0.00 N ATOM 62 CA ALA A 4 -6.022 12.963 -4.621 1.00 0.00 C ATOM 63 C ALA A 4 -5.640 11.494 -4.757 1.00 0.00 C ATOM 64 O ALA A 4 -4.659 11.036 -4.172 1.00 0.00 O ATOM 65 CB ALA A 4 -5.082 13.668 -3.658 1.00 0.00 C ATOM 0 H ALA A 4 -7.516 13.151 -3.162 1.00 0.00 H new ATOM 0 HA ALA A 4 -5.933 13.424 -5.604 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -4.054 13.551 -4.002 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -5.332 14.728 -3.616 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -5.184 13.231 -2.665 1.00 0.00 H new ATOM 71 N THR A 5 -6.424 10.761 -5.537 1.00 0.00 N ATOM 72 CA THR A 5 -6.174 9.342 -5.759 1.00 0.00 C ATOM 73 C THR A 5 -4.935 9.141 -6.624 1.00 0.00 C ATOM 74 O THR A 5 -4.966 9.372 -7.833 1.00 0.00 O ATOM 75 CB THR A 5 -7.387 8.688 -6.423 1.00 0.00 C ATOM 76 OG1 THR A 5 -8.099 9.632 -7.204 1.00 0.00 O ATOM 77 CG2 THR A 5 -8.359 8.083 -5.433 1.00 0.00 C ATOM 0 H THR A 5 -7.240 11.126 -6.028 1.00 0.00 H new ATOM 0 HA THR A 5 -6.001 8.870 -4.792 1.00 0.00 H new ATOM 0 HB THR A 5 -6.982 7.888 -7.042 1.00 0.00 H new ATOM 0 HG1 THR A 5 -8.870 9.195 -7.622 1.00 0.00 H new ATOM 0 HG21 THR A 5 -9.195 7.636 -5.971 1.00 0.00 H new ATOM 0 HG22 THR A 5 -7.852 7.315 -4.848 1.00 0.00 H new ATOM 0 HG23 THR A 5 -8.731 8.861 -4.766 1.00 0.00 H new ATOM 85 N LEU A 6 -3.844 8.710 -6.000 1.00 0.00 N ATOM 86 CA LEU A 6 -2.595 8.482 -6.716 1.00 0.00 C ATOM 87 C LEU A 6 -2.444 7.012 -7.096 1.00 0.00 C ATOM 88 O LEU A 6 -2.478 6.130 -6.237 1.00 0.00 O ATOM 89 CB LEU A 6 -1.402 8.930 -5.864 1.00 0.00 C ATOM 90 CG LEU A 6 -0.691 10.191 -6.360 1.00 0.00 C ATOM 91 CD1 LEU A 6 -0.264 10.028 -7.811 1.00 0.00 C ATOM 92 CD2 LEU A 6 -1.590 11.407 -6.200 1.00 0.00 C ATOM 0 H LEU A 6 -3.800 8.512 -5.000 1.00 0.00 H new ATOM 0 HA LEU A 6 -2.618 9.073 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -1.747 9.103 -4.845 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.679 8.116 -5.822 1.00 0.00 H new ATOM 0 HG LEU A 6 0.203 10.343 -5.755 1.00 0.00 H new ATOM 0 HD11 LEU A 6 0.240 10.935 -8.146 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.417 9.181 -7.897 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -1.143 9.851 -8.431 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.068 12.295 -6.558 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -2.502 11.264 -6.779 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -1.845 11.535 -5.148 1.00 0.00 H new ATOM 104 N LYS A 7 -2.274 6.757 -8.389 1.00 0.00 N ATOM 105 CA LYS A 7 -2.114 5.398 -8.888 1.00 0.00 C ATOM 106 C LYS A 7 -0.773 5.239 -9.595 1.00 0.00 C ATOM 107 O LYS A 7 -0.629 5.591 -10.765 1.00 0.00 O ATOM 108 CB LYS A 7 -3.251 5.044 -9.844 1.00 0.00 C ATOM 109 CG LYS A 7 -3.504 3.548 -9.965 1.00 0.00 C ATOM 110 CD LYS A 7 -4.974 3.211 -9.763 1.00 0.00 C ATOM 111 CE LYS A 7 -5.471 2.229 -10.811 1.00 0.00 C ATOM 112 NZ LYS A 7 -6.857 2.547 -11.257 1.00 0.00 N ATOM 0 H LYS A 7 -2.244 7.477 -9.111 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.143 4.718 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.165 5.532 -9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -3.023 5.446 -10.831 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -3.182 3.202 -10.947 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -2.903 3.016 -9.227 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -5.118 2.787 -8.769 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -5.567 4.124 -9.809 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -4.800 2.245 -11.670 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -5.444 1.218 -10.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -7.159 1.854 -11.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -7.502 2.507 -10.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.879 3.502 -11.669 1.00 0.00 H new ATOM 126 N GLY A 8 0.204 4.711 -8.871 1.00 0.00 N ATOM 127 CA GLY A 8 1.526 4.516 -9.437 1.00 0.00 C ATOM 128 C GLY A 8 1.941 3.059 -9.454 1.00 0.00 C ATOM 129 O GLY A 8 1.979 2.405 -8.412 1.00 0.00 O ATOM 0 H GLY A 8 0.106 4.413 -7.900 1.00 0.00 H new ATOM 0 HA2 GLY A 8 1.543 4.907 -10.454 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.252 5.091 -8.862 1.00 0.00 H new ATOM 133 N ILE A 9 2.254 2.551 -10.640 1.00 0.00 N ATOM 134 CA ILE A 9 2.671 1.163 -10.786 1.00 0.00 C ATOM 135 C ILE A 9 4.190 1.060 -10.916 1.00 0.00 C ATOM 136 O ILE A 9 4.784 1.604 -11.847 1.00 0.00 O ATOM 137 CB ILE A 9 1.998 0.498 -12.008 1.00 0.00 C ATOM 138 CG1 ILE A 9 2.158 -1.023 -11.941 1.00 0.00 C ATOM 139 CG2 ILE A 9 2.570 1.045 -13.310 1.00 0.00 C ATOM 140 CD1 ILE A 9 0.851 -1.773 -12.083 1.00 0.00 C ATOM 0 H ILE A 9 2.227 3.079 -11.513 1.00 0.00 H new ATOM 0 HA ILE A 9 2.355 0.635 -9.886 1.00 0.00 H new ATOM 0 HB ILE A 9 0.934 0.735 -11.985 1.00 0.00 H new ATOM 0 HG12 ILE A 9 2.840 -1.344 -12.729 1.00 0.00 H new ATOM 0 HG13 ILE A 9 2.620 -1.291 -10.991 1.00 0.00 H new ATOM 0 HG21 ILE A 9 2.080 0.561 -14.155 1.00 0.00 H new ATOM 0 HG22 ILE A 9 2.399 2.120 -13.359 1.00 0.00 H new ATOM 0 HG23 ILE A 9 3.641 0.846 -13.349 1.00 0.00 H new ATOM 0 HD11 ILE A 9 1.039 -2.845 -12.026 1.00 0.00 H new ATOM 0 HD12 ILE A 9 0.174 -1.480 -11.280 1.00 0.00 H new ATOM 0 HD13 ILE A 9 0.397 -1.534 -13.045 1.00 0.00 H new ATOM 152 N PHE A 10 4.812 0.364 -9.970 1.00 0.00 N ATOM 153 CA PHE A 10 6.260 0.194 -9.974 1.00 0.00 C ATOM 154 C PHE A 10 6.701 -0.748 -11.088 1.00 0.00 C ATOM 155 O PHE A 10 5.965 -1.658 -11.472 1.00 0.00 O ATOM 156 CB PHE A 10 6.734 -0.343 -8.624 1.00 0.00 C ATOM 157 CG PHE A 10 6.922 0.723 -7.586 1.00 0.00 C ATOM 158 CD1 PHE A 10 5.880 1.572 -7.247 1.00 0.00 C ATOM 159 CD2 PHE A 10 8.141 0.877 -6.946 1.00 0.00 C ATOM 160 CE1 PHE A 10 6.051 2.554 -6.290 1.00 0.00 C ATOM 161 CE2 PHE A 10 8.318 1.858 -5.988 1.00 0.00 C ATOM 162 CZ PHE A 10 7.271 2.697 -5.660 1.00 0.00 C ATOM 0 H PHE A 10 4.336 -0.091 -9.191 1.00 0.00 H new ATOM 0 HA PHE A 10 6.711 1.170 -10.152 1.00 0.00 H new ATOM 0 HB2 PHE A 10 6.010 -1.071 -8.258 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.676 -0.873 -8.764 1.00 0.00 H new ATOM 0 HD1 PHE A 10 4.923 1.465 -7.737 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.963 0.223 -7.198 1.00 0.00 H new ATOM 0 HE1 PHE A 10 5.231 3.209 -6.035 1.00 0.00 H new ATOM 0 HE2 PHE A 10 9.274 1.968 -5.497 1.00 0.00 H new ATOM 0 HZ PHE A 10 7.407 3.464 -4.912 1.00 0.00 H new ATOM 172 N THR A 11 7.907 -0.524 -11.601 1.00 0.00 N ATOM 173 CA THR A 11 8.450 -1.355 -12.668 1.00 0.00 C ATOM 174 C THR A 11 9.783 -1.951 -12.268 1.00 0.00 C ATOM 175 O THR A 11 10.699 -1.247 -11.836 1.00 0.00 O ATOM 176 CB THR A 11 8.594 -0.546 -13.959 1.00 0.00 C ATOM 177 OG1 THR A 11 8.700 0.837 -13.674 1.00 0.00 O ATOM 178 CG2 THR A 11 7.434 -0.732 -14.913 1.00 0.00 C ATOM 0 H THR A 11 8.526 0.226 -11.294 1.00 0.00 H new ATOM 0 HA THR A 11 7.752 -2.173 -12.845 1.00 0.00 H new ATOM 0 HB THR A 11 9.499 -0.921 -14.437 1.00 0.00 H new ATOM 0 HG1 THR A 11 8.111 1.341 -14.274 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.599 -0.131 -15.807 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.356 -1.783 -15.191 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.510 -0.416 -14.429 1.00 0.00 H new ATOM 186 N LEU A 12 9.878 -3.265 -12.404 1.00 0.00 N ATOM 187 CA LEU A 12 11.088 -3.973 -12.051 1.00 0.00 C ATOM 188 C LEU A 12 11.526 -3.595 -10.644 1.00 0.00 C ATOM 189 O LEU A 12 10.797 -2.934 -9.905 1.00 0.00 O ATOM 190 CB LEU A 12 12.205 -3.660 -13.051 1.00 0.00 C ATOM 191 CG LEU A 12 11.744 -3.441 -14.496 1.00 0.00 C ATOM 192 CD1 LEU A 12 11.860 -1.973 -14.877 1.00 0.00 C ATOM 193 CD2 LEU A 12 12.551 -4.306 -15.452 1.00 0.00 C ATOM 0 H LEU A 12 9.128 -3.859 -12.757 1.00 0.00 H new ATOM 0 HA LEU A 12 10.883 -5.043 -12.083 1.00 0.00 H new ATOM 0 HB2 LEU A 12 12.732 -2.767 -12.715 1.00 0.00 H new ATOM 0 HB3 LEU A 12 12.924 -4.479 -13.036 1.00 0.00 H new ATOM 0 HG LEU A 12 10.697 -3.734 -14.570 1.00 0.00 H new ATOM 0 HD11 LEU A 12 11.528 -1.837 -15.906 1.00 0.00 H new ATOM 0 HD12 LEU A 12 11.237 -1.374 -14.213 1.00 0.00 H new ATOM 0 HD13 LEU A 12 12.898 -1.654 -14.785 1.00 0.00 H new ATOM 0 HD21 LEU A 12 12.209 -4.136 -16.473 1.00 0.00 H new ATOM 0 HD22 LEU A 12 13.607 -4.046 -15.375 1.00 0.00 H new ATOM 0 HD23 LEU A 12 12.416 -5.356 -15.194 1.00 0.00 H new ATOM 205 N LYS A 13 12.721 -4.018 -10.293 1.00 0.00 N ATOM 206 CA LYS A 13 13.285 -3.730 -8.980 1.00 0.00 C ATOM 207 C LYS A 13 14.274 -2.569 -9.051 1.00 0.00 C ATOM 208 O LYS A 13 14.766 -2.101 -8.024 1.00 0.00 O ATOM 209 CB LYS A 13 13.987 -4.970 -8.417 1.00 0.00 C ATOM 210 CG LYS A 13 13.244 -6.273 -8.677 1.00 0.00 C ATOM 211 CD LYS A 13 12.406 -6.685 -7.478 1.00 0.00 C ATOM 212 CE LYS A 13 11.191 -7.494 -7.901 1.00 0.00 C ATOM 213 NZ LYS A 13 11.559 -8.616 -8.808 1.00 0.00 N ATOM 0 H LYS A 13 13.330 -4.567 -10.900 1.00 0.00 H new ATOM 0 HA LYS A 13 12.465 -3.449 -8.319 1.00 0.00 H new ATOM 0 HB2 LYS A 13 14.984 -5.039 -8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 13 14.116 -4.845 -7.342 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.601 -6.158 -9.550 1.00 0.00 H new ATOM 0 HG3 LYS A 13 13.960 -7.061 -8.910 1.00 0.00 H new ATOM 0 HD2 LYS A 13 13.015 -7.273 -6.791 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.082 -5.796 -6.936 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.693 -7.891 -7.016 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.477 -6.841 -8.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.921 -9.420 -8.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 11.475 -8.305 -9.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 12.539 -8.908 -8.619 1.00 0.00 H new ATOM 227 N ASP A 14 14.575 -2.116 -10.267 1.00 0.00 N ATOM 228 CA ASP A 14 15.522 -1.025 -10.462 1.00 0.00 C ATOM 229 C ASP A 14 14.824 0.312 -10.708 1.00 0.00 C ATOM 230 O ASP A 14 15.428 1.367 -10.518 1.00 0.00 O ATOM 231 CB ASP A 14 16.453 -1.341 -11.633 1.00 0.00 C ATOM 232 CG ASP A 14 15.696 -1.774 -12.873 1.00 0.00 C ATOM 233 OD1 ASP A 14 15.245 -0.890 -13.632 1.00 0.00 O ATOM 234 OD2 ASP A 14 15.553 -2.996 -13.084 1.00 0.00 O ATOM 0 H ASP A 14 14.176 -2.488 -11.129 1.00 0.00 H new ATOM 0 HA ASP A 14 16.099 -0.932 -9.542 1.00 0.00 H new ATOM 0 HB2 ASP A 14 17.052 -0.460 -11.865 1.00 0.00 H new ATOM 0 HB3 ASP A 14 17.146 -2.130 -11.340 1.00 0.00 H new ATOM 239 N LEU A 15 13.566 0.277 -11.151 1.00 0.00 N ATOM 240 CA LEU A 15 12.829 1.513 -11.425 1.00 0.00 C ATOM 241 C LEU A 15 11.840 1.872 -10.310 1.00 0.00 C ATOM 242 O LEU A 15 10.631 1.725 -10.486 1.00 0.00 O ATOM 243 CB LEU A 15 12.090 1.402 -12.762 1.00 0.00 C ATOM 244 CG LEU A 15 11.343 2.665 -13.198 1.00 0.00 C ATOM 245 CD1 LEU A 15 12.279 3.865 -13.206 1.00 0.00 C ATOM 246 CD2 LEU A 15 10.717 2.465 -14.570 1.00 0.00 C ATOM 0 H LEU A 15 13.042 -0.580 -11.326 1.00 0.00 H new ATOM 0 HA LEU A 15 13.564 2.316 -11.474 1.00 0.00 H new ATOM 0 HB2 LEU A 15 12.810 1.139 -13.537 1.00 0.00 H new ATOM 0 HB3 LEU A 15 11.376 0.580 -12.698 1.00 0.00 H new ATOM 0 HG LEU A 15 10.546 2.859 -12.480 1.00 0.00 H new ATOM 0 HD11 LEU A 15 11.730 4.753 -13.519 1.00 0.00 H new ATOM 0 HD12 LEU A 15 12.680 4.020 -12.204 1.00 0.00 H new ATOM 0 HD13 LEU A 15 13.099 3.682 -13.901 1.00 0.00 H new ATOM 0 HD21 LEU A 15 10.190 3.372 -14.865 1.00 0.00 H new ATOM 0 HD22 LEU A 15 11.498 2.246 -15.298 1.00 0.00 H new ATOM 0 HD23 LEU A 15 10.014 1.633 -14.531 1.00 0.00 H new ATOM 258 N PRO A 16 12.323 2.361 -9.149 1.00 0.00 N ATOM 259 CA PRO A 16 11.449 2.746 -8.037 1.00 0.00 C ATOM 260 C PRO A 16 10.866 4.144 -8.217 1.00 0.00 C ATOM 261 O PRO A 16 10.941 4.985 -7.320 1.00 0.00 O ATOM 262 CB PRO A 16 12.398 2.725 -6.849 1.00 0.00 C ATOM 263 CG PRO A 16 13.701 3.156 -7.426 1.00 0.00 C ATOM 264 CD PRO A 16 13.745 2.588 -8.822 1.00 0.00 C ATOM 0 HA PRO A 16 10.586 2.087 -7.939 1.00 0.00 H new ATOM 0 HB2 PRO A 16 12.067 3.401 -6.061 1.00 0.00 H new ATOM 0 HB3 PRO A 16 12.465 1.730 -6.409 1.00 0.00 H new ATOM 0 HG2 PRO A 16 13.779 4.243 -7.444 1.00 0.00 H new ATOM 0 HG3 PRO A 16 14.534 2.787 -6.828 1.00 0.00 H new ATOM 0 HD2 PRO A 16 14.212 3.281 -9.522 1.00 0.00 H new ATOM 0 HD3 PRO A 16 14.318 1.662 -8.860 1.00 0.00 H new ATOM 272 N GLU A 17 10.295 4.382 -9.387 1.00 0.00 N ATOM 273 CA GLU A 17 9.704 5.675 -9.705 1.00 0.00 C ATOM 274 C GLU A 17 8.572 6.020 -8.746 1.00 0.00 C ATOM 275 O GLU A 17 7.412 5.688 -8.992 1.00 0.00 O ATOM 276 CB GLU A 17 9.190 5.686 -11.146 1.00 0.00 C ATOM 277 CG GLU A 17 9.688 6.870 -11.958 1.00 0.00 C ATOM 278 CD GLU A 17 10.531 6.449 -13.146 1.00 0.00 C ATOM 279 OE1 GLU A 17 9.950 6.011 -14.161 1.00 0.00 O ATOM 280 OE2 GLU A 17 11.772 6.558 -13.061 1.00 0.00 O ATOM 0 H GLU A 17 10.227 3.694 -10.137 1.00 0.00 H new ATOM 0 HA GLU A 17 10.482 6.431 -9.596 1.00 0.00 H new ATOM 0 HB2 GLU A 17 9.495 4.763 -11.639 1.00 0.00 H new ATOM 0 HB3 GLU A 17 8.100 5.696 -11.135 1.00 0.00 H new ATOM 0 HG2 GLU A 17 8.834 7.449 -12.310 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.275 7.526 -11.315 1.00 0.00 H new ATOM 287 N GLU A 18 8.919 6.693 -7.657 1.00 0.00 N ATOM 288 CA GLU A 18 7.938 7.095 -6.657 1.00 0.00 C ATOM 289 C GLU A 18 8.607 7.849 -5.520 1.00 0.00 C ATOM 290 O GLU A 18 8.118 8.885 -5.066 1.00 0.00 O ATOM 291 CB GLU A 18 7.198 5.873 -6.107 1.00 0.00 C ATOM 292 CG GLU A 18 6.131 6.218 -5.081 1.00 0.00 C ATOM 293 CD GLU A 18 5.055 7.127 -5.643 1.00 0.00 C ATOM 294 OE1 GLU A 18 5.352 8.315 -5.893 1.00 0.00 O ATOM 295 OE2 GLU A 18 3.915 6.652 -5.832 1.00 0.00 O ATOM 0 H GLU A 18 9.876 6.973 -7.443 1.00 0.00 H new ATOM 0 HA GLU A 18 7.218 7.756 -7.139 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.734 5.337 -6.935 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.921 5.195 -5.653 1.00 0.00 H new ATOM 0 HG2 GLU A 18 5.672 5.299 -4.717 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.599 6.702 -4.224 1.00 0.00 H new ATOM 302 N PHE A 19 9.728 7.319 -5.069 1.00 0.00 N ATOM 303 CA PHE A 19 10.484 7.929 -3.982 1.00 0.00 C ATOM 304 C PHE A 19 11.844 7.255 -3.817 1.00 0.00 C ATOM 305 O PHE A 19 12.874 7.801 -4.212 1.00 0.00 O ATOM 306 CB PHE A 19 9.689 7.843 -2.675 1.00 0.00 C ATOM 307 CG PHE A 19 10.433 8.361 -1.476 1.00 0.00 C ATOM 308 CD1 PHE A 19 10.555 9.723 -1.254 1.00 0.00 C ATOM 309 CD2 PHE A 19 11.009 7.484 -0.572 1.00 0.00 C ATOM 310 CE1 PHE A 19 11.237 10.201 -0.151 1.00 0.00 C ATOM 311 CE2 PHE A 19 11.693 7.956 0.533 1.00 0.00 C ATOM 312 CZ PHE A 19 11.806 9.315 0.743 1.00 0.00 C ATOM 0 H PHE A 19 10.140 6.462 -5.438 1.00 0.00 H new ATOM 0 HA PHE A 19 10.652 8.977 -4.229 1.00 0.00 H new ATOM 0 HB2 PHE A 19 8.762 8.406 -2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 19 9.411 6.804 -2.497 1.00 0.00 H new ATOM 0 HD1 PHE A 19 10.112 10.419 -1.951 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.923 6.419 -0.732 1.00 0.00 H new ATOM 0 HE1 PHE A 19 11.325 11.265 0.012 1.00 0.00 H new ATOM 0 HE2 PHE A 19 12.138 7.262 1.231 1.00 0.00 H new ATOM 0 HZ PHE A 19 12.339 9.686 1.606 1.00 0.00 H new ATOM 322 N ARG A 20 11.836 6.064 -3.227 1.00 0.00 N ATOM 323 CA ARG A 20 13.062 5.309 -3.001 1.00 0.00 C ATOM 324 C ARG A 20 12.762 3.811 -2.951 1.00 0.00 C ATOM 325 O ARG A 20 11.604 3.412 -2.830 1.00 0.00 O ATOM 326 CB ARG A 20 13.721 5.759 -1.695 1.00 0.00 C ATOM 327 CG ARG A 20 14.563 7.019 -1.838 1.00 0.00 C ATOM 328 CD ARG A 20 15.644 6.859 -2.897 1.00 0.00 C ATOM 329 NE ARG A 20 15.495 7.826 -3.982 1.00 0.00 N ATOM 330 CZ ARG A 20 16.052 7.684 -5.183 1.00 0.00 C ATOM 331 NH1 ARG A 20 16.800 6.623 -5.455 1.00 0.00 N ATOM 332 NH2 ARG A 20 15.863 8.608 -6.114 1.00 0.00 N ATOM 0 H ARG A 20 10.990 5.600 -2.896 1.00 0.00 H new ATOM 0 HA ARG A 20 13.748 5.499 -3.827 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.946 5.933 -0.948 1.00 0.00 H new ATOM 0 HB3 ARG A 20 14.351 4.952 -1.319 1.00 0.00 H new ATOM 0 HG2 ARG A 20 13.919 7.859 -2.100 1.00 0.00 H new ATOM 0 HG3 ARG A 20 15.025 7.258 -0.880 1.00 0.00 H new ATOM 0 HD2 ARG A 20 16.624 6.980 -2.436 1.00 0.00 H new ATOM 0 HD3 ARG A 20 15.606 5.849 -3.304 1.00 0.00 H new ATOM 0 HE ARG A 20 14.931 8.658 -3.809 1.00 0.00 H new ATOM 0 HH11 ARG A 20 16.952 5.909 -4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.224 6.521 -6.377 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.291 9.428 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.290 8.500 -7.034 1.00 0.00 H new ATOM 346 N PRO A 21 13.798 2.959 -3.049 1.00 0.00 N ATOM 347 CA PRO A 21 13.623 1.502 -3.017 1.00 0.00 C ATOM 348 C PRO A 21 13.099 1.010 -1.670 1.00 0.00 C ATOM 349 O PRO A 21 13.804 0.327 -0.928 1.00 0.00 O ATOM 350 CB PRO A 21 15.032 0.960 -3.278 1.00 0.00 C ATOM 351 CG PRO A 21 15.950 2.068 -2.895 1.00 0.00 C ATOM 352 CD PRO A 21 15.214 3.341 -3.205 1.00 0.00 C ATOM 0 HA PRO A 21 12.887 1.167 -3.747 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.226 0.065 -2.687 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.161 0.685 -4.325 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.207 2.014 -1.837 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.884 2.011 -3.454 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.492 4.143 -2.522 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.427 3.694 -4.214 1.00 0.00 H new ATOM 360 N PHE A 22 11.852 1.361 -1.365 1.00 0.00 N ATOM 361 CA PHE A 22 11.224 0.955 -0.113 1.00 0.00 C ATOM 362 C PHE A 22 10.720 -0.481 -0.204 1.00 0.00 C ATOM 363 O PHE A 22 11.227 -1.371 0.476 1.00 0.00 O ATOM 364 CB PHE A 22 10.066 1.897 0.228 1.00 0.00 C ATOM 365 CG PHE A 22 9.339 1.529 1.491 1.00 0.00 C ATOM 366 CD1 PHE A 22 9.940 1.706 2.727 1.00 0.00 C ATOM 367 CD2 PHE A 22 8.057 1.007 1.441 1.00 0.00 C ATOM 368 CE1 PHE A 22 9.274 1.368 3.891 1.00 0.00 C ATOM 369 CE2 PHE A 22 7.387 0.668 2.602 1.00 0.00 C ATOM 370 CZ PHE A 22 7.996 0.848 3.828 1.00 0.00 C ATOM 0 H PHE A 22 11.257 1.927 -1.970 1.00 0.00 H new ATOM 0 HA PHE A 22 11.971 1.010 0.679 1.00 0.00 H new ATOM 0 HB2 PHE A 22 10.451 2.912 0.324 1.00 0.00 H new ATOM 0 HB3 PHE A 22 9.357 1.902 -0.600 1.00 0.00 H new ATOM 0 HD1 PHE A 22 10.939 2.112 2.782 1.00 0.00 H new ATOM 0 HD2 PHE A 22 7.576 0.863 0.485 1.00 0.00 H new ATOM 0 HE1 PHE A 22 9.753 1.511 4.848 1.00 0.00 H new ATOM 0 HE2 PHE A 22 6.387 0.262 2.550 1.00 0.00 H new ATOM 0 HZ PHE A 22 7.474 0.583 4.736 1.00 0.00 H new ATOM 380 N VAL A 23 9.723 -0.700 -1.056 1.00 0.00 N ATOM 381 CA VAL A 23 9.150 -2.029 -1.245 1.00 0.00 C ATOM 382 C VAL A 23 10.223 -3.057 -1.605 1.00 0.00 C ATOM 383 O VAL A 23 10.001 -4.261 -1.482 1.00 0.00 O ATOM 384 CB VAL A 23 8.067 -2.020 -2.341 1.00 0.00 C ATOM 385 CG1 VAL A 23 8.662 -1.630 -3.686 1.00 0.00 C ATOM 386 CG2 VAL A 23 7.378 -3.374 -2.426 1.00 0.00 C ATOM 0 H VAL A 23 9.294 0.028 -1.628 1.00 0.00 H new ATOM 0 HA VAL A 23 8.695 -2.312 -0.296 1.00 0.00 H new ATOM 0 HB VAL A 23 7.319 -1.274 -2.074 1.00 0.00 H new ATOM 0 HG11 VAL A 23 7.879 -1.630 -4.444 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.098 -0.634 -3.616 1.00 0.00 H new ATOM 0 HG13 VAL A 23 9.436 -2.346 -3.963 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.617 -3.347 -3.206 1.00 0.00 H new ATOM 0 HG22 VAL A 23 8.114 -4.142 -2.664 1.00 0.00 H new ATOM 0 HG23 VAL A 23 6.909 -3.604 -1.469 1.00 0.00 H new ATOM 396 N ASP A 24 11.385 -2.576 -2.045 1.00 0.00 N ATOM 397 CA ASP A 24 12.491 -3.454 -2.415 1.00 0.00 C ATOM 398 C ASP A 24 12.701 -4.553 -1.374 1.00 0.00 C ATOM 399 O ASP A 24 13.161 -5.647 -1.701 1.00 0.00 O ATOM 400 CB ASP A 24 13.776 -2.642 -2.581 1.00 0.00 C ATOM 401 CG ASP A 24 14.008 -2.211 -4.015 1.00 0.00 C ATOM 402 OD1 ASP A 24 13.016 -2.079 -4.763 1.00 0.00 O ATOM 403 OD2 ASP A 24 15.182 -2.005 -4.391 1.00 0.00 O ATOM 0 H ASP A 24 11.584 -1.581 -2.154 1.00 0.00 H new ATOM 0 HA ASP A 24 12.238 -3.928 -3.363 1.00 0.00 H new ATOM 0 HB2 ASP A 24 13.730 -1.760 -1.943 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.624 -3.237 -2.242 1.00 0.00 H new ATOM 408 N TYR A 25 12.361 -4.259 -0.120 1.00 0.00 N ATOM 409 CA TYR A 25 12.520 -5.236 0.951 1.00 0.00 C ATOM 410 C TYR A 25 11.644 -6.456 0.702 1.00 0.00 C ATOM 411 O TYR A 25 12.023 -7.581 1.029 1.00 0.00 O ATOM 412 CB TYR A 25 12.198 -4.614 2.317 1.00 0.00 C ATOM 413 CG TYR A 25 10.748 -4.220 2.502 1.00 0.00 C ATOM 414 CD1 TYR A 25 9.748 -5.181 2.604 1.00 0.00 C ATOM 415 CD2 TYR A 25 10.379 -2.883 2.583 1.00 0.00 C ATOM 416 CE1 TYR A 25 8.425 -4.820 2.778 1.00 0.00 C ATOM 417 CE2 TYR A 25 9.060 -2.514 2.757 1.00 0.00 C ATOM 418 CZ TYR A 25 8.087 -3.486 2.854 1.00 0.00 C ATOM 419 OH TYR A 25 6.771 -3.122 3.029 1.00 0.00 O ATOM 0 H TYR A 25 11.978 -3.361 0.176 1.00 0.00 H new ATOM 0 HA TYR A 25 13.562 -5.555 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 25 12.471 -5.323 3.098 1.00 0.00 H new ATOM 0 HB3 TYR A 25 12.822 -3.731 2.456 1.00 0.00 H new ATOM 0 HD1 TYR A 25 10.009 -6.227 2.546 1.00 0.00 H new ATOM 0 HD2 TYR A 25 11.138 -2.118 2.508 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.660 -5.579 2.854 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.792 -1.470 2.817 1.00 0.00 H new ATOM 0 HH TYR A 25 6.704 -2.145 3.063 1.00 0.00 H new ATOM 429 N LYS A 26 10.473 -6.235 0.110 1.00 0.00 N ATOM 430 CA LYS A 26 9.561 -7.333 -0.187 1.00 0.00 C ATOM 431 C LYS A 26 10.159 -8.239 -1.259 1.00 0.00 C ATOM 432 O LYS A 26 9.912 -9.445 -1.277 1.00 0.00 O ATOM 433 CB LYS A 26 8.190 -6.794 -0.622 1.00 0.00 C ATOM 434 CG LYS A 26 8.008 -6.670 -2.130 1.00 0.00 C ATOM 435 CD LYS A 26 7.402 -7.932 -2.723 1.00 0.00 C ATOM 436 CE LYS A 26 6.794 -7.670 -4.092 1.00 0.00 C ATOM 437 NZ LYS A 26 5.712 -6.648 -4.035 1.00 0.00 N ATOM 0 H LYS A 26 10.137 -5.314 -0.171 1.00 0.00 H new ATOM 0 HA LYS A 26 9.416 -7.923 0.718 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.414 -7.451 -0.228 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.039 -5.814 -0.169 1.00 0.00 H new ATOM 0 HG2 LYS A 26 7.365 -5.818 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.972 -6.473 -2.599 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.170 -8.701 -2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 26 6.635 -8.319 -2.052 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.573 -7.335 -4.777 1.00 0.00 H new ATOM 0 HE3 LYS A 26 6.393 -8.600 -4.495 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 5.058 -6.790 -4.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.192 -6.742 -3.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.129 -5.697 -4.095 1.00 0.00 H new ATOM 451 N ALA A 27 10.959 -7.649 -2.142 1.00 0.00 N ATOM 452 CA ALA A 27 11.607 -8.400 -3.209 1.00 0.00 C ATOM 453 C ALA A 27 12.743 -9.256 -2.657 1.00 0.00 C ATOM 454 O ALA A 27 13.184 -10.208 -3.300 1.00 0.00 O ATOM 455 CB ALA A 27 12.127 -7.454 -4.280 1.00 0.00 C ATOM 0 H ALA A 27 11.173 -6.652 -2.139 1.00 0.00 H new ATOM 0 HA ALA A 27 10.868 -9.064 -3.658 1.00 0.00 H new ATOM 0 HB1 ALA A 27 12.609 -8.029 -5.071 1.00 0.00 H new ATOM 0 HB2 ALA A 27 11.296 -6.886 -4.699 1.00 0.00 H new ATOM 0 HB3 ALA A 27 12.850 -6.767 -3.839 1.00 0.00 H new ATOM 461 N GLY A 28 13.212 -8.911 -1.459 1.00 0.00 N ATOM 462 CA GLY A 28 14.287 -9.658 -0.837 1.00 0.00 C ATOM 463 C GLY A 28 14.000 -9.959 0.622 1.00 0.00 C ATOM 464 O GLY A 28 14.919 -10.073 1.433 1.00 0.00 O ATOM 0 H GLY A 28 12.864 -8.125 -0.909 1.00 0.00 H new ATOM 0 HA2 GLY A 28 14.439 -10.593 -1.377 1.00 0.00 H new ATOM 0 HA3 GLY A 28 15.215 -9.091 -0.915 1.00 0.00 H new ATOM 468 N LEU A 29 12.716 -10.078 0.956 1.00 0.00 N ATOM 469 CA LEU A 29 12.295 -10.356 2.327 1.00 0.00 C ATOM 470 C LEU A 29 13.095 -11.494 2.948 1.00 0.00 C ATOM 471 O LEU A 29 13.283 -11.542 4.164 1.00 0.00 O ATOM 472 CB LEU A 29 10.802 -10.686 2.364 1.00 0.00 C ATOM 473 CG LEU A 29 10.230 -10.946 3.759 1.00 0.00 C ATOM 474 CD1 LEU A 29 10.128 -9.648 4.545 1.00 0.00 C ATOM 475 CD2 LEU A 29 8.868 -11.617 3.657 1.00 0.00 C ATOM 0 H LEU A 29 11.947 -9.986 0.292 1.00 0.00 H new ATOM 0 HA LEU A 29 12.484 -9.458 2.916 1.00 0.00 H new ATOM 0 HB2 LEU A 29 10.252 -9.861 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.625 -11.566 1.746 1.00 0.00 H new ATOM 0 HG LEU A 29 10.906 -11.616 4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 29 9.719 -9.853 5.534 1.00 0.00 H new ATOM 0 HD12 LEU A 29 11.119 -9.205 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.473 -8.954 4.018 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.474 -11.795 4.658 1.00 0.00 H new ATOM 0 HD22 LEU A 29 8.184 -10.970 3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 29 8.969 -12.567 3.132 1.00 0.00 H new ATOM 487 N GLU A 30 13.563 -12.408 2.112 1.00 0.00 N ATOM 488 CA GLU A 30 14.347 -13.547 2.588 1.00 0.00 C ATOM 489 C GLU A 30 14.621 -14.552 1.470 1.00 0.00 C ATOM 490 O GLU A 30 13.814 -15.445 1.212 1.00 0.00 O ATOM 491 CB GLU A 30 13.626 -14.246 3.745 1.00 0.00 C ATOM 492 CG GLU A 30 14.250 -13.969 5.105 1.00 0.00 C ATOM 493 CD GLU A 30 15.044 -15.147 5.634 1.00 0.00 C ATOM 494 OE1 GLU A 30 15.410 -16.028 4.828 1.00 0.00 O ATOM 495 OE2 GLU A 30 15.300 -15.189 6.856 1.00 0.00 O ATOM 0 H GLU A 30 13.416 -12.387 1.103 1.00 0.00 H new ATOM 0 HA GLU A 30 15.304 -13.159 2.937 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.584 -13.926 3.760 1.00 0.00 H new ATOM 0 HB3 GLU A 30 13.626 -15.321 3.566 1.00 0.00 H new ATOM 0 HG2 GLU A 30 14.903 -13.100 5.030 1.00 0.00 H new ATOM 0 HG3 GLU A 30 13.464 -13.717 5.817 1.00 0.00 H new ATOM 502 N LYS A 31 15.772 -14.407 0.822 1.00 0.00 N ATOM 503 CA LYS A 31 16.167 -15.309 -0.255 1.00 0.00 C ATOM 504 C LYS A 31 15.179 -15.262 -1.414 1.00 0.00 C ATOM 505 O LYS A 31 14.794 -16.298 -1.958 1.00 0.00 O ATOM 506 CB LYS A 31 16.289 -16.740 0.273 1.00 0.00 C ATOM 507 CG LYS A 31 16.969 -17.693 -0.699 1.00 0.00 C ATOM 508 CD LYS A 31 18.331 -18.137 -0.187 1.00 0.00 C ATOM 509 CE LYS A 31 18.200 -19.113 0.974 1.00 0.00 C ATOM 510 NZ LYS A 31 18.684 -18.523 2.253 1.00 0.00 N ATOM 0 H LYS A 31 16.449 -13.672 1.024 1.00 0.00 H new ATOM 0 HA LYS A 31 17.137 -14.978 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 31 16.850 -16.727 1.208 1.00 0.00 H new ATOM 0 HB3 LYS A 31 15.293 -17.119 0.504 1.00 0.00 H new ATOM 0 HG2 LYS A 31 16.336 -18.566 -0.856 1.00 0.00 H new ATOM 0 HG3 LYS A 31 17.085 -17.205 -1.667 1.00 0.00 H new ATOM 0 HD2 LYS A 31 18.890 -18.606 -0.997 1.00 0.00 H new ATOM 0 HD3 LYS A 31 18.903 -17.265 0.132 1.00 0.00 H new ATOM 0 HE2 LYS A 31 17.157 -19.410 1.083 1.00 0.00 H new ATOM 0 HE3 LYS A 31 18.767 -20.017 0.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 18.101 -18.873 3.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 19.675 -18.797 2.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 18.615 -17.486 2.205 1.00 0.00 H new ATOM 524 N LYS A 32 14.781 -14.056 -1.792 1.00 0.00 N ATOM 525 CA LYS A 32 13.847 -13.875 -2.896 1.00 0.00 C ATOM 526 C LYS A 32 14.590 -13.486 -4.170 1.00 0.00 C ATOM 527 O LYS A 32 15.479 -12.635 -4.146 1.00 0.00 O ATOM 528 CB LYS A 32 12.805 -12.810 -2.550 1.00 0.00 C ATOM 529 CG LYS A 32 11.553 -13.373 -1.899 1.00 0.00 C ATOM 530 CD LYS A 32 10.372 -12.430 -2.060 1.00 0.00 C ATOM 531 CE LYS A 32 9.743 -12.552 -3.439 1.00 0.00 C ATOM 532 NZ LYS A 32 9.484 -11.220 -4.051 1.00 0.00 N ATOM 0 H LYS A 32 15.089 -13.189 -1.352 1.00 0.00 H new ATOM 0 HA LYS A 32 13.335 -14.822 -3.066 1.00 0.00 H new ATOM 0 HB2 LYS A 32 13.255 -12.078 -1.880 1.00 0.00 H new ATOM 0 HB3 LYS A 32 12.524 -12.279 -3.460 1.00 0.00 H new ATOM 0 HG2 LYS A 32 11.313 -14.339 -2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 32 11.739 -13.548 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 32 9.624 -12.649 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 32 10.701 -11.403 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 32 10.402 -13.128 -4.089 1.00 0.00 H new ATOM 0 HE3 LYS A 32 8.807 -13.105 -3.363 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 8.658 -11.282 -4.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.297 -10.524 -3.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 10.316 -10.922 -4.600 1.00 0.00 H new ATOM 546 N LYS A 33 14.226 -14.117 -5.282 1.00 0.00 N ATOM 547 CA LYS A 33 14.865 -13.839 -6.563 1.00 0.00 C ATOM 548 C LYS A 33 14.368 -12.520 -7.148 1.00 0.00 C ATOM 549 O LYS A 33 13.222 -12.415 -7.584 1.00 0.00 O ATOM 550 CB LYS A 33 14.600 -14.982 -7.548 1.00 0.00 C ATOM 551 CG LYS A 33 15.835 -15.811 -7.862 1.00 0.00 C ATOM 552 CD LYS A 33 16.968 -14.947 -8.393 1.00 0.00 C ATOM 553 CE LYS A 33 17.766 -15.671 -9.467 1.00 0.00 C ATOM 554 NZ LYS A 33 19.231 -15.456 -9.310 1.00 0.00 N ATOM 0 H LYS A 33 13.492 -14.824 -5.322 1.00 0.00 H new ATOM 0 HA LYS A 33 15.939 -13.756 -6.394 1.00 0.00 H new ATOM 0 HB2 LYS A 33 13.829 -15.634 -7.137 1.00 0.00 H new ATOM 0 HB3 LYS A 33 14.205 -14.567 -8.475 1.00 0.00 H new ATOM 0 HG2 LYS A 33 16.164 -16.331 -6.962 1.00 0.00 H new ATOM 0 HG3 LYS A 33 15.584 -16.575 -8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 33 16.561 -14.022 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 33 17.629 -14.668 -7.573 1.00 0.00 H new ATOM 0 HE2 LYS A 33 17.549 -16.738 -9.423 1.00 0.00 H new ATOM 0 HE3 LYS A 33 17.451 -15.322 -10.450 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 19.739 -15.966 -10.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 19.442 -14.440 -9.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 19.537 -15.812 -8.382 1.00 0.00 H new ATOM 568 N LEU A 34 15.240 -11.517 -7.156 1.00 0.00 N ATOM 569 CA LEU A 34 14.893 -10.205 -7.690 1.00 0.00 C ATOM 570 C LEU A 34 15.816 -9.829 -8.845 1.00 0.00 C ATOM 571 O LEU A 34 16.930 -9.349 -8.631 1.00 0.00 O ATOM 572 CB LEU A 34 14.975 -9.142 -6.592 1.00 0.00 C ATOM 573 CG LEU A 34 16.302 -9.102 -5.827 1.00 0.00 C ATOM 574 CD1 LEU A 34 16.765 -7.666 -5.630 1.00 0.00 C ATOM 575 CD2 LEU A 34 16.167 -9.810 -4.487 1.00 0.00 C ATOM 0 H LEU A 34 16.193 -11.588 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 34 13.870 -10.252 -8.063 1.00 0.00 H new ATOM 0 HB2 LEU A 34 14.802 -8.164 -7.041 1.00 0.00 H new ATOM 0 HB3 LEU A 34 14.168 -9.314 -5.880 1.00 0.00 H new ATOM 0 HG LEU A 34 17.054 -9.625 -6.418 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.709 -7.660 -5.085 1.00 0.00 H new ATOM 0 HD12 LEU A 34 16.904 -7.192 -6.602 1.00 0.00 H new ATOM 0 HD13 LEU A 34 16.014 -7.116 -5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 34 17.119 -9.772 -3.958 1.00 0.00 H new ATOM 0 HD22 LEU A 34 15.400 -9.316 -3.890 1.00 0.00 H new ATOM 0 HD23 LEU A 34 15.885 -10.850 -4.652 1.00 0.00 H new ATOM 587 N SER A 35 15.347 -10.050 -10.069 1.00 0.00 N ATOM 588 CA SER A 35 16.133 -9.735 -11.257 1.00 0.00 C ATOM 589 C SER A 35 15.693 -8.405 -11.865 1.00 0.00 C ATOM 590 O SER A 35 16.307 -7.367 -11.619 1.00 0.00 O ATOM 591 CB SER A 35 16.009 -10.860 -12.289 1.00 0.00 C ATOM 592 OG SER A 35 14.876 -11.671 -12.027 1.00 0.00 O ATOM 0 H SER A 35 14.427 -10.446 -10.264 1.00 0.00 H new ATOM 0 HA SER A 35 17.178 -9.643 -10.961 1.00 0.00 H new ATOM 0 HB2 SER A 35 15.931 -10.433 -13.289 1.00 0.00 H new ATOM 0 HB3 SER A 35 16.910 -11.473 -12.273 1.00 0.00 H new ATOM 0 HG SER A 35 14.819 -12.380 -12.701 1.00 0.00 H new ATOM 598 N ASP A 36 14.625 -8.441 -12.660 1.00 0.00 N ATOM 599 CA ASP A 36 14.102 -7.237 -13.301 1.00 0.00 C ATOM 600 C ASP A 36 12.957 -7.582 -14.248 1.00 0.00 C ATOM 601 O ASP A 36 13.161 -7.747 -15.450 1.00 0.00 O ATOM 602 CB ASP A 36 15.210 -6.513 -14.071 1.00 0.00 C ATOM 603 CG ASP A 36 16.027 -7.454 -14.934 1.00 0.00 C ATOM 604 OD1 ASP A 36 16.858 -8.200 -14.376 1.00 0.00 O ATOM 605 OD2 ASP A 36 15.835 -7.443 -16.168 1.00 0.00 O ATOM 0 H ASP A 36 14.105 -9.292 -12.875 1.00 0.00 H new ATOM 0 HA ASP A 36 13.724 -6.578 -12.519 1.00 0.00 H new ATOM 0 HB2 ASP A 36 14.766 -5.741 -14.700 1.00 0.00 H new ATOM 0 HB3 ASP A 36 15.869 -6.009 -13.364 1.00 0.00 H new ATOM 610 N ASP A 37 11.753 -7.686 -13.697 1.00 0.00 N ATOM 611 CA ASP A 37 10.575 -8.010 -14.494 1.00 0.00 C ATOM 612 C ASP A 37 9.299 -7.833 -13.677 1.00 0.00 C ATOM 613 O ASP A 37 8.292 -7.336 -14.180 1.00 0.00 O ATOM 614 CB ASP A 37 10.668 -9.446 -15.017 1.00 0.00 C ATOM 615 CG ASP A 37 10.152 -9.581 -16.435 1.00 0.00 C ATOM 616 OD1 ASP A 37 9.392 -8.694 -16.879 1.00 0.00 O ATOM 617 OD2 ASP A 37 10.507 -10.574 -17.104 1.00 0.00 O ATOM 0 H ASP A 37 11.567 -7.551 -12.703 1.00 0.00 H new ATOM 0 HA ASP A 37 10.539 -7.324 -15.341 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.706 -9.777 -14.978 1.00 0.00 H new ATOM 0 HB3 ASP A 37 10.099 -10.105 -14.362 1.00 0.00 H new ATOM 622 N ASP A 38 9.349 -8.244 -12.414 1.00 0.00 N ATOM 623 CA ASP A 38 8.198 -8.131 -11.526 1.00 0.00 C ATOM 624 C ASP A 38 7.782 -6.672 -11.361 1.00 0.00 C ATOM 625 O ASP A 38 8.596 -5.763 -11.520 1.00 0.00 O ATOM 626 CB ASP A 38 8.518 -8.741 -10.160 1.00 0.00 C ATOM 627 CG ASP A 38 8.597 -10.255 -10.207 1.00 0.00 C ATOM 628 OD1 ASP A 38 7.857 -10.864 -11.007 1.00 0.00 O ATOM 629 OD2 ASP A 38 9.401 -10.831 -9.443 1.00 0.00 O ATOM 0 H ASP A 38 10.175 -8.659 -11.982 1.00 0.00 H new ATOM 0 HA ASP A 38 7.369 -8.679 -11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 38 9.466 -8.341 -9.800 1.00 0.00 H new ATOM 0 HB3 ASP A 38 7.753 -8.442 -9.443 1.00 0.00 H new ATOM 634 N GLU A 39 6.510 -6.457 -11.041 1.00 0.00 N ATOM 635 CA GLU A 39 5.987 -5.108 -10.855 1.00 0.00 C ATOM 636 C GLU A 39 5.162 -5.020 -9.575 1.00 0.00 C ATOM 637 O GLU A 39 4.619 -6.020 -9.107 1.00 0.00 O ATOM 638 CB GLU A 39 5.135 -4.697 -12.058 1.00 0.00 C ATOM 639 CG GLU A 39 5.954 -4.303 -13.276 1.00 0.00 C ATOM 640 CD GLU A 39 5.296 -4.715 -14.579 1.00 0.00 C ATOM 641 OE1 GLU A 39 4.590 -5.745 -14.589 1.00 0.00 O ATOM 642 OE2 GLU A 39 5.488 -4.007 -15.591 1.00 0.00 O ATOM 0 H GLU A 39 5.823 -7.199 -10.905 1.00 0.00 H new ATOM 0 HA GLU A 39 6.831 -4.424 -10.770 1.00 0.00 H new ATOM 0 HB2 GLU A 39 4.476 -5.523 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 39 4.498 -3.860 -11.773 1.00 0.00 H new ATOM 0 HG2 GLU A 39 6.104 -3.223 -13.275 1.00 0.00 H new ATOM 0 HG3 GLU A 39 6.940 -4.762 -13.210 1.00 0.00 H new ATOM 649 N ILE A 40 5.072 -3.818 -9.015 1.00 0.00 N ATOM 650 CA ILE A 40 4.312 -3.605 -7.788 1.00 0.00 C ATOM 651 C ILE A 40 3.229 -2.550 -7.989 1.00 0.00 C ATOM 652 O ILE A 40 3.353 -1.674 -8.846 1.00 0.00 O ATOM 653 CB ILE A 40 5.222 -3.169 -6.621 1.00 0.00 C ATOM 654 CG1 ILE A 40 6.564 -3.904 -6.680 1.00 0.00 C ATOM 655 CG2 ILE A 40 4.533 -3.429 -5.290 1.00 0.00 C ATOM 656 CD1 ILE A 40 6.428 -5.411 -6.660 1.00 0.00 C ATOM 0 H ILE A 40 5.514 -2.979 -9.390 1.00 0.00 H new ATOM 0 HA ILE A 40 3.850 -4.560 -7.539 1.00 0.00 H new ATOM 0 HB ILE A 40 5.413 -2.100 -6.713 1.00 0.00 H new ATOM 0 HG12 ILE A 40 7.093 -3.607 -7.586 1.00 0.00 H new ATOM 0 HG13 ILE A 40 7.178 -3.591 -5.835 1.00 0.00 H new ATOM 0 HG21 ILE A 40 5.186 -3.117 -4.475 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.602 -2.864 -5.246 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.316 -4.493 -5.194 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.417 -5.866 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 40 5.928 -5.719 -5.742 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.841 -5.735 -7.519 1.00 0.00 H new ATOM 668 N ALA A 41 2.167 -2.640 -7.196 1.00 0.00 N ATOM 669 CA ALA A 41 1.062 -1.695 -7.289 1.00 0.00 C ATOM 670 C ALA A 41 0.926 -0.877 -6.009 1.00 0.00 C ATOM 671 O ALA A 41 0.596 -1.413 -4.950 1.00 0.00 O ATOM 672 CB ALA A 41 -0.237 -2.430 -7.589 1.00 0.00 C ATOM 0 H ALA A 41 2.049 -3.358 -6.482 1.00 0.00 H new ATOM 0 HA ALA A 41 1.275 -1.006 -8.106 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.054 -1.712 -7.656 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.144 -2.962 -8.535 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.445 -3.143 -6.791 1.00 0.00 H new ATOM 678 N ILE A 42 1.181 0.423 -6.115 1.00 0.00 N ATOM 679 CA ILE A 42 1.085 1.319 -4.971 1.00 0.00 C ATOM 680 C ILE A 42 0.089 2.444 -5.245 1.00 0.00 C ATOM 681 O ILE A 42 0.314 3.286 -6.113 1.00 0.00 O ATOM 682 CB ILE A 42 2.459 1.928 -4.618 1.00 0.00 C ATOM 683 CG1 ILE A 42 3.465 0.819 -4.303 1.00 0.00 C ATOM 684 CG2 ILE A 42 2.337 2.887 -3.441 1.00 0.00 C ATOM 685 CD1 ILE A 42 3.938 0.064 -5.527 1.00 0.00 C ATOM 0 H ILE A 42 1.456 0.879 -6.985 1.00 0.00 H new ATOM 0 HA ILE A 42 0.736 0.727 -4.125 1.00 0.00 H new ATOM 0 HB ILE A 42 2.818 2.491 -5.480 1.00 0.00 H new ATOM 0 HG12 ILE A 42 4.328 1.255 -3.799 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.011 0.115 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.317 3.305 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.650 3.693 -3.698 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.956 2.350 -2.572 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.649 -0.706 -5.227 1.00 0.00 H new ATOM 0 HD12 ILE A 42 3.084 -0.402 -6.020 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.422 0.756 -6.217 1.00 0.00 H new ATOM 697 N ILE A 43 -1.013 2.447 -4.501 1.00 0.00 N ATOM 698 CA ILE A 43 -2.043 3.465 -4.667 1.00 0.00 C ATOM 699 C ILE A 43 -2.396 4.115 -3.333 1.00 0.00 C ATOM 700 O ILE A 43 -2.575 3.430 -2.326 1.00 0.00 O ATOM 701 CB ILE A 43 -3.323 2.875 -5.288 1.00 0.00 C ATOM 702 CG1 ILE A 43 -3.730 1.598 -4.552 1.00 0.00 C ATOM 703 CG2 ILE A 43 -3.115 2.597 -6.770 1.00 0.00 C ATOM 704 CD1 ILE A 43 -5.023 0.995 -5.057 1.00 0.00 C ATOM 0 H ILE A 43 -1.215 1.756 -3.778 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.634 4.219 -5.340 1.00 0.00 H new ATOM 0 HB ILE A 43 -4.128 3.603 -5.186 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.932 0.862 -4.650 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.832 1.818 -3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.029 2.180 -7.194 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -2.868 3.526 -7.283 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.299 1.885 -6.896 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.250 0.092 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.833 1.714 -4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.919 0.743 -6.113 1.00 0.00 H new ATOM 716 N SER A 44 -2.500 5.440 -3.335 1.00 0.00 N ATOM 717 CA SER A 44 -2.837 6.184 -2.126 1.00 0.00 C ATOM 718 C SER A 44 -4.267 6.711 -2.196 1.00 0.00 C ATOM 719 O SER A 44 -4.780 6.999 -3.277 1.00 0.00 O ATOM 720 CB SER A 44 -1.861 7.346 -1.928 1.00 0.00 C ATOM 721 OG SER A 44 -2.362 8.279 -0.985 1.00 0.00 O ATOM 0 H SER A 44 -2.356 6.021 -4.161 1.00 0.00 H new ATOM 0 HA SER A 44 -2.759 5.506 -1.276 1.00 0.00 H new ATOM 0 HB2 SER A 44 -0.899 6.963 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 44 -1.687 7.845 -2.881 1.00 0.00 H new ATOM 0 HG SER A 44 -1.719 9.011 -0.875 1.00 0.00 H new ATOM 727 N ILE A 45 -4.907 6.834 -1.037 1.00 0.00 N ATOM 728 CA ILE A 45 -6.280 7.324 -0.973 1.00 0.00 C ATOM 729 C ILE A 45 -6.519 8.136 0.297 1.00 0.00 C ATOM 730 O ILE A 45 -7.564 8.015 0.937 1.00 0.00 O ATOM 731 CB ILE A 45 -7.294 6.165 -1.029 1.00 0.00 C ATOM 732 CG1 ILE A 45 -6.913 5.075 -0.025 1.00 0.00 C ATOM 733 CG2 ILE A 45 -7.369 5.593 -2.436 1.00 0.00 C ATOM 734 CD1 ILE A 45 -8.001 4.046 0.190 1.00 0.00 C ATOM 0 H ILE A 45 -4.498 6.602 -0.132 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.426 7.966 -1.842 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.278 6.551 -0.762 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -6.011 4.571 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.670 5.541 0.930 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -8.090 4.775 -2.458 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -7.683 6.373 -3.130 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -6.388 5.220 -2.730 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.662 3.304 0.913 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -8.898 4.538 0.567 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -8.228 3.553 -0.756 1.00 0.00 H new ATOM 746 N LYS A 46 -5.544 8.964 0.656 1.00 0.00 N ATOM 747 CA LYS A 46 -5.649 9.797 1.849 1.00 0.00 C ATOM 748 C LYS A 46 -5.878 8.947 3.097 1.00 0.00 C ATOM 749 O LYS A 46 -6.380 9.437 4.108 1.00 0.00 O ATOM 750 CB LYS A 46 -6.788 10.808 1.689 1.00 0.00 C ATOM 751 CG LYS A 46 -6.406 12.225 2.092 1.00 0.00 C ATOM 752 CD LYS A 46 -6.318 12.370 3.603 1.00 0.00 C ATOM 753 CE LYS A 46 -6.797 13.740 4.057 1.00 0.00 C ATOM 754 NZ LYS A 46 -6.723 13.891 5.537 1.00 0.00 N ATOM 0 H LYS A 46 -4.672 9.076 0.138 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.707 10.333 1.969 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.117 10.811 0.650 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.637 10.484 2.291 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.447 12.486 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.142 12.927 1.700 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -6.919 11.596 4.080 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.288 12.218 3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -6.191 14.512 3.582 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.825 13.893 3.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.058 14.838 5.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.321 13.170 5.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.738 13.770 5.849 1.00 0.00 H new ATOM 768 N GLY A 47 -5.505 7.672 3.021 1.00 0.00 N ATOM 769 CA GLY A 47 -5.677 6.781 4.154 1.00 0.00 C ATOM 770 C GLY A 47 -4.776 7.149 5.314 1.00 0.00 C ATOM 771 O GLY A 47 -3.735 6.524 5.523 1.00 0.00 O ATOM 0 H GLY A 47 -5.087 7.241 2.196 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.716 6.808 4.481 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -5.467 5.757 3.844 1.00 0.00 H new ATOM 775 N THR A 48 -5.172 8.170 6.068 1.00 0.00 N ATOM 776 CA THR A 48 -4.392 8.630 7.213 1.00 0.00 C ATOM 777 C THR A 48 -3.097 9.291 6.751 1.00 0.00 C ATOM 778 O THR A 48 -2.908 10.495 6.923 1.00 0.00 O ATOM 779 CB THR A 48 -4.078 7.465 8.154 1.00 0.00 C ATOM 780 OG1 THR A 48 -5.217 6.641 8.329 1.00 0.00 O ATOM 781 CG2 THR A 48 -3.621 7.912 9.526 1.00 0.00 C ATOM 0 H THR A 48 -6.031 8.696 5.906 1.00 0.00 H new ATOM 0 HA THR A 48 -4.987 9.366 7.754 1.00 0.00 H new ATOM 0 HB THR A 48 -3.265 6.919 7.677 1.00 0.00 H new ATOM 0 HG1 THR A 48 -4.996 5.901 8.932 1.00 0.00 H new ATOM 0 HG21 THR A 48 -3.415 7.038 10.144 1.00 0.00 H new ATOM 0 HG22 THR A 48 -2.715 8.511 9.431 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.403 8.510 9.993 1.00 0.00 H new ATOM 789 N GLN A 49 -2.207 8.496 6.162 1.00 0.00 N ATOM 790 CA GLN A 49 -0.931 9.003 5.672 1.00 0.00 C ATOM 791 C GLN A 49 -0.074 7.868 5.117 1.00 0.00 C ATOM 792 O GLN A 49 1.031 7.617 5.598 1.00 0.00 O ATOM 793 CB GLN A 49 -0.176 9.729 6.790 1.00 0.00 C ATOM 794 CG GLN A 49 -0.182 8.982 8.113 1.00 0.00 C ATOM 795 CD GLN A 49 0.090 9.891 9.296 1.00 0.00 C ATOM 796 OE1 GLN A 49 0.394 11.071 9.129 1.00 0.00 O ATOM 797 NE2 GLN A 49 -0.018 9.342 10.501 1.00 0.00 N ATOM 0 H GLN A 49 -2.348 7.497 6.013 1.00 0.00 H new ATOM 0 HA GLN A 49 -1.136 9.710 4.868 1.00 0.00 H new ATOM 0 HB2 GLN A 49 0.856 9.888 6.477 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.620 10.714 6.936 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.148 8.496 8.247 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.570 8.194 8.085 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -0.273 8.359 10.592 1.00 0.00 H new ATOM 0 HE22 GLN A 49 0.154 9.904 11.335 1.00 0.00 H new ATOM 806 N SER A 50 -0.590 7.183 4.101 1.00 0.00 N ATOM 807 CA SER A 50 0.131 6.077 3.484 1.00 0.00 C ATOM 808 C SER A 50 -0.650 5.506 2.305 1.00 0.00 C ATOM 809 O SER A 50 -1.699 6.029 1.930 1.00 0.00 O ATOM 810 CB SER A 50 0.397 4.977 4.515 1.00 0.00 C ATOM 811 OG SER A 50 1.688 5.113 5.085 1.00 0.00 O ATOM 0 H SER A 50 -1.503 7.375 3.689 1.00 0.00 H new ATOM 0 HA SER A 50 1.083 6.459 3.114 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.357 5.021 5.301 1.00 0.00 H new ATOM 0 HB3 SER A 50 0.307 4.000 4.040 1.00 0.00 H new ATOM 0 HG SER A 50 1.847 6.052 5.315 1.00 0.00 H new ATOM 817 N ASN A 51 -0.131 4.427 1.727 1.00 0.00 N ATOM 818 CA ASN A 51 -0.780 3.783 0.591 1.00 0.00 C ATOM 819 C ASN A 51 -0.808 2.268 0.768 1.00 0.00 C ATOM 820 O ASN A 51 -0.334 1.742 1.775 1.00 0.00 O ATOM 821 CB ASN A 51 -0.057 4.142 -0.708 1.00 0.00 C ATOM 822 CG ASN A 51 1.423 3.815 -0.657 1.00 0.00 C ATOM 823 OD1 ASN A 51 1.813 2.649 -0.693 1.00 0.00 O ATOM 824 ND2 ASN A 51 2.256 4.846 -0.574 1.00 0.00 N ATOM 0 H ASN A 51 0.736 3.981 2.026 1.00 0.00 H new ATOM 0 HA ASN A 51 -1.807 4.145 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -0.517 3.604 -1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -0.184 5.206 -0.909 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.263 4.687 -0.538 1.00 0.00 H new ATOM 0 HD22 ASN A 51 1.889 5.797 -0.547 1.00 0.00 H new ATOM 831 N HIS A 52 -1.363 1.572 -0.218 1.00 0.00 N ATOM 832 CA HIS A 52 -1.451 0.118 -0.174 1.00 0.00 C ATOM 833 C HIS A 52 -0.501 -0.515 -1.187 1.00 0.00 C ATOM 834 O HIS A 52 -0.181 0.089 -2.210 1.00 0.00 O ATOM 835 CB HIS A 52 -2.884 -0.340 -0.450 1.00 0.00 C ATOM 836 CG HIS A 52 -3.920 0.444 0.295 1.00 0.00 C ATOM 837 ND1 HIS A 52 -3.675 1.060 1.505 1.00 0.00 N ATOM 838 CD2 HIS A 52 -5.215 0.709 -0.004 1.00 0.00 C ATOM 839 CE1 HIS A 52 -4.773 1.668 1.917 1.00 0.00 C ATOM 840 NE2 HIS A 52 -5.721 1.472 1.020 1.00 0.00 N ATOM 0 H HIS A 52 -1.759 1.993 -1.059 1.00 0.00 H new ATOM 0 HA HIS A 52 -1.161 -0.206 0.825 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -3.081 -0.262 -1.519 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -2.977 -1.393 -0.184 1.00 0.00 H new ATOM 0 HD1 HIS A 52 -2.785 1.048 2.003 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -5.749 0.381 -0.883 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -4.877 2.230 2.833 1.00 0.00 H new ATOM 849 N VAL A 53 -0.057 -1.732 -0.895 1.00 0.00 N ATOM 850 CA VAL A 53 0.855 -2.446 -1.781 1.00 0.00 C ATOM 851 C VAL A 53 0.312 -3.828 -2.133 1.00 0.00 C ATOM 852 O VAL A 53 -0.298 -4.498 -1.299 1.00 0.00 O ATOM 853 CB VAL A 53 2.252 -2.596 -1.145 1.00 0.00 C ATOM 854 CG1 VAL A 53 2.173 -3.405 0.142 1.00 0.00 C ATOM 855 CG2 VAL A 53 3.224 -3.236 -2.127 1.00 0.00 C ATOM 0 H VAL A 53 -0.314 -2.245 -0.052 1.00 0.00 H new ATOM 0 HA VAL A 53 0.942 -1.854 -2.692 1.00 0.00 H new ATOM 0 HB VAL A 53 2.624 -1.601 -0.899 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.169 -3.499 0.574 1.00 0.00 H new ATOM 0 HG12 VAL A 53 1.516 -2.899 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 53 1.777 -4.397 -0.075 1.00 0.00 H new ATOM 0 HG21 VAL A 53 4.203 -3.333 -1.659 1.00 0.00 H new ATOM 0 HG22 VAL A 53 2.858 -4.223 -2.410 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.307 -2.611 -3.016 1.00 0.00 H new ATOM 865 N LEU A 54 0.538 -4.249 -3.374 1.00 0.00 N ATOM 866 CA LEU A 54 0.072 -5.551 -3.839 1.00 0.00 C ATOM 867 C LEU A 54 0.931 -6.053 -4.996 1.00 0.00 C ATOM 868 O LEU A 54 1.351 -5.274 -5.852 1.00 0.00 O ATOM 869 CB LEU A 54 -1.392 -5.469 -4.276 1.00 0.00 C ATOM 870 CG LEU A 54 -2.415 -5.806 -3.190 1.00 0.00 C ATOM 871 CD1 LEU A 54 -3.804 -5.348 -3.605 1.00 0.00 C ATOM 872 CD2 LEU A 54 -2.409 -7.299 -2.900 1.00 0.00 C ATOM 0 H LEU A 54 1.041 -3.707 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 54 0.157 -6.255 -3.011 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.590 -4.461 -4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.542 -6.146 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.138 -5.277 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.519 -5.596 -2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.799 -4.270 -3.764 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.091 -5.849 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.142 -7.522 -2.125 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.662 -7.847 -3.808 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.418 -7.599 -2.559 1.00 0.00 H new ATOM 884 N PHE A 55 1.184 -7.357 -5.019 1.00 0.00 N ATOM 885 CA PHE A 55 1.990 -7.960 -6.074 1.00 0.00 C ATOM 886 C PHE A 55 1.197 -8.052 -7.373 1.00 0.00 C ATOM 887 O PHE A 55 0.165 -8.720 -7.437 1.00 0.00 O ATOM 888 CB PHE A 55 2.466 -9.351 -5.650 1.00 0.00 C ATOM 889 CG PHE A 55 3.662 -9.837 -6.416 1.00 0.00 C ATOM 890 CD1 PHE A 55 3.591 -10.039 -7.785 1.00 0.00 C ATOM 891 CD2 PHE A 55 4.859 -10.094 -5.766 1.00 0.00 C ATOM 892 CE1 PHE A 55 4.692 -10.487 -8.491 1.00 0.00 C ATOM 893 CE2 PHE A 55 5.962 -10.543 -6.466 1.00 0.00 C ATOM 894 CZ PHE A 55 5.878 -10.739 -7.831 1.00 0.00 C ATOM 0 H PHE A 55 0.843 -8.016 -4.320 1.00 0.00 H new ATOM 0 HA PHE A 55 2.860 -7.325 -6.244 1.00 0.00 H new ATOM 0 HB2 PHE A 55 2.708 -9.335 -4.587 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.649 -10.061 -5.780 1.00 0.00 H new ATOM 0 HD1 PHE A 55 2.665 -9.844 -8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 55 4.930 -9.941 -4.699 1.00 0.00 H new ATOM 0 HE1 PHE A 55 4.624 -10.640 -9.558 1.00 0.00 H new ATOM 0 HE2 PHE A 55 6.888 -10.740 -5.947 1.00 0.00 H new ATOM 0 HZ PHE A 55 6.739 -11.089 -8.381 1.00 0.00 H new ATOM 904 N LEU A 56 1.683 -7.372 -8.408 1.00 0.00 N ATOM 905 CA LEU A 56 1.017 -7.372 -9.705 1.00 0.00 C ATOM 906 C LEU A 56 0.954 -8.777 -10.295 1.00 0.00 C ATOM 907 O LEU A 56 1.943 -9.283 -10.828 1.00 0.00 O ATOM 908 CB LEU A 56 1.739 -6.428 -10.671 1.00 0.00 C ATOM 909 CG LEU A 56 1.002 -5.121 -10.968 1.00 0.00 C ATOM 910 CD1 LEU A 56 -0.303 -5.398 -11.699 1.00 0.00 C ATOM 911 CD2 LEU A 56 0.741 -4.353 -9.681 1.00 0.00 C ATOM 0 H LEU A 56 2.536 -6.814 -8.373 1.00 0.00 H new ATOM 0 HA LEU A 56 -0.004 -7.021 -9.558 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.719 -6.189 -10.258 1.00 0.00 H new ATOM 0 HB3 LEU A 56 1.909 -6.954 -11.611 1.00 0.00 H new ATOM 0 HG LEU A 56 1.633 -4.509 -11.613 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.813 -4.456 -11.902 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -0.092 -5.906 -12.640 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.940 -6.030 -11.080 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.216 -3.426 -9.911 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.130 -4.960 -9.013 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.690 -4.122 -9.196 1.00 0.00 H new ATOM 923 N SER A 57 -0.216 -9.399 -10.200 1.00 0.00 N ATOM 924 CA SER A 57 -0.415 -10.743 -10.728 1.00 0.00 C ATOM 925 C SER A 57 -1.115 -10.693 -12.083 1.00 0.00 C ATOM 926 O SER A 57 -1.861 -11.605 -12.440 1.00 0.00 O ATOM 927 CB SER A 57 -1.234 -11.585 -9.749 1.00 0.00 C ATOM 928 OG SER A 57 -0.414 -12.110 -8.718 1.00 0.00 O ATOM 0 H SER A 57 -1.042 -8.993 -9.761 1.00 0.00 H new ATOM 0 HA SER A 57 0.564 -11.204 -10.859 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.025 -10.975 -9.314 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.719 -12.402 -10.284 1.00 0.00 H new ATOM 0 HG SER A 57 -0.961 -12.643 -8.104 1.00 0.00 H new ATOM 934 N SER A 58 -0.873 -9.620 -12.830 1.00 0.00 N ATOM 935 CA SER A 58 -1.483 -9.448 -14.144 1.00 0.00 C ATOM 936 C SER A 58 -1.138 -10.612 -15.067 1.00 0.00 C ATOM 937 O SER A 58 -0.309 -11.459 -14.731 1.00 0.00 O ATOM 938 CB SER A 58 -1.024 -8.131 -14.773 1.00 0.00 C ATOM 939 OG SER A 58 -1.598 -7.020 -14.107 1.00 0.00 O ATOM 0 H SER A 58 -0.259 -8.856 -12.548 1.00 0.00 H new ATOM 0 HA SER A 58 -2.565 -9.425 -14.012 1.00 0.00 H new ATOM 0 HB2 SER A 58 0.063 -8.063 -14.729 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.303 -8.111 -15.827 1.00 0.00 H new ATOM 0 HG SER A 58 -1.288 -6.191 -14.527 1.00 0.00 H new ATOM 945 N TYR A 59 -1.779 -10.647 -16.230 1.00 0.00 N ATOM 946 CA TYR A 59 -1.541 -11.708 -17.204 1.00 0.00 C ATOM 947 C TYR A 59 -1.018 -11.129 -18.515 1.00 0.00 C ATOM 948 O TYR A 59 0.041 -11.525 -19.001 1.00 0.00 O ATOM 949 CB TYR A 59 -2.827 -12.500 -17.465 1.00 0.00 C ATOM 950 CG TYR A 59 -3.765 -12.556 -16.280 1.00 0.00 C ATOM 951 CD1 TYR A 59 -3.279 -12.742 -14.992 1.00 0.00 C ATOM 952 CD2 TYR A 59 -5.137 -12.422 -16.450 1.00 0.00 C ATOM 953 CE1 TYR A 59 -4.133 -12.791 -13.907 1.00 0.00 C ATOM 954 CE2 TYR A 59 -5.998 -12.470 -15.371 1.00 0.00 C ATOM 955 CZ TYR A 59 -5.492 -12.655 -14.102 1.00 0.00 C ATOM 956 OH TYR A 59 -6.345 -12.703 -13.024 1.00 0.00 O ATOM 0 H TYR A 59 -2.467 -9.953 -16.522 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.789 -12.380 -16.791 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.351 -12.054 -18.310 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.563 -13.517 -17.755 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.216 -12.850 -14.836 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.537 -12.278 -17.443 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.739 -12.935 -12.912 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.062 -12.363 -15.521 1.00 0.00 H new ATOM 0 HH TYR A 59 -7.268 -12.590 -13.332 1.00 0.00 H new ATOM 966 N ASN A 60 -1.770 -10.190 -19.078 1.00 0.00 N ATOM 967 CA ASN A 60 -1.386 -9.552 -20.332 1.00 0.00 C ATOM 968 C ASN A 60 -1.901 -8.117 -20.389 1.00 0.00 C ATOM 969 O ASN A 60 -1.134 -7.166 -20.238 1.00 0.00 O ATOM 970 CB ASN A 60 -1.925 -10.351 -21.521 1.00 0.00 C ATOM 971 CG ASN A 60 -0.841 -10.704 -22.521 1.00 0.00 C ATOM 972 OD1 ASN A 60 0.229 -11.186 -22.149 1.00 0.00 O ATOM 973 ND2 ASN A 60 -1.113 -10.462 -23.798 1.00 0.00 N ATOM 0 H ASN A 60 -2.649 -9.853 -18.686 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.297 -9.530 -20.384 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.392 -11.266 -21.158 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -2.702 -9.773 -22.021 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -0.421 -10.677 -24.516 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -2.014 -10.061 -24.061 1.00 0.00 H new ATOM 980 N SER A 61 -3.205 -7.968 -20.608 1.00 0.00 N ATOM 981 CA SER A 61 -3.824 -6.649 -20.683 1.00 0.00 C ATOM 982 C SER A 61 -5.311 -6.763 -21.003 1.00 0.00 C ATOM 983 O SER A 61 -5.704 -6.816 -22.168 1.00 0.00 O ATOM 984 CB SER A 61 -3.128 -5.791 -21.744 1.00 0.00 C ATOM 985 OG SER A 61 -2.561 -6.598 -22.761 1.00 0.00 O ATOM 0 H SER A 61 -3.853 -8.745 -20.737 1.00 0.00 H new ATOM 0 HA SER A 61 -3.714 -6.170 -19.710 1.00 0.00 H new ATOM 0 HB2 SER A 61 -3.845 -5.098 -22.183 1.00 0.00 H new ATOM 0 HB3 SER A 61 -2.349 -5.190 -21.276 1.00 0.00 H new ATOM 0 HG SER A 61 -2.124 -6.027 -23.427 1.00 0.00 H new ATOM 991 N VAL A 62 -6.136 -6.797 -19.961 1.00 0.00 N ATOM 992 CA VAL A 62 -7.580 -6.902 -20.133 1.00 0.00 C ATOM 993 C VAL A 62 -8.322 -6.212 -18.993 1.00 0.00 C ATOM 994 O VAL A 62 -7.723 -5.837 -17.986 1.00 0.00 O ATOM 995 CB VAL A 62 -8.035 -8.371 -20.209 1.00 0.00 C ATOM 996 CG1 VAL A 62 -7.689 -8.968 -21.565 1.00 0.00 C ATOM 997 CG2 VAL A 62 -7.411 -9.185 -19.085 1.00 0.00 C ATOM 0 H VAL A 62 -5.829 -6.753 -18.989 1.00 0.00 H new ATOM 0 HA VAL A 62 -7.820 -6.407 -21.074 1.00 0.00 H new ATOM 0 HB VAL A 62 -9.118 -8.402 -20.089 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.018 -10.007 -21.600 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.190 -8.402 -22.350 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -6.611 -8.924 -21.718 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -7.745 -10.220 -19.157 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -6.325 -9.148 -19.168 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.715 -8.771 -18.124 1.00 0.00 H new ATOM 1007 N ASP A 63 -9.630 -6.051 -19.159 1.00 0.00 N ATOM 1008 CA ASP A 63 -10.456 -5.406 -18.145 1.00 0.00 C ATOM 1009 C ASP A 63 -10.398 -6.173 -16.827 1.00 0.00 C ATOM 1010 O ASP A 63 -10.504 -5.585 -15.752 1.00 0.00 O ATOM 1011 CB ASP A 63 -11.905 -5.305 -18.625 1.00 0.00 C ATOM 1012 CG ASP A 63 -12.112 -4.162 -19.599 1.00 0.00 C ATOM 1013 OD1 ASP A 63 -11.118 -3.707 -20.202 1.00 0.00 O ATOM 1014 OD2 ASP A 63 -13.271 -3.723 -19.760 1.00 0.00 O ATOM 0 H ASP A 63 -10.141 -6.358 -19.986 1.00 0.00 H new ATOM 0 HA ASP A 63 -10.065 -4.402 -17.979 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -12.193 -6.242 -19.102 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -12.561 -5.170 -17.765 1.00 0.00 H new ATOM 1019 N GLU A 64 -10.230 -7.487 -16.921 1.00 0.00 N ATOM 1020 CA GLU A 64 -10.159 -8.335 -15.736 1.00 0.00 C ATOM 1021 C GLU A 64 -8.984 -7.935 -14.848 1.00 0.00 C ATOM 1022 O GLU A 64 -9.034 -8.097 -13.628 1.00 0.00 O ATOM 1023 CB GLU A 64 -10.030 -9.805 -16.142 1.00 0.00 C ATOM 1024 CG GLU A 64 -10.492 -10.775 -15.067 1.00 0.00 C ATOM 1025 CD GLU A 64 -10.052 -12.200 -15.339 1.00 0.00 C ATOM 1026 OE1 GLU A 64 -9.838 -12.539 -16.521 1.00 0.00 O ATOM 1027 OE2 GLU A 64 -9.921 -12.976 -14.369 1.00 0.00 O ATOM 0 H GLU A 64 -10.140 -7.988 -17.805 1.00 0.00 H new ATOM 0 HA GLU A 64 -11.080 -8.201 -15.169 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -10.612 -9.976 -17.048 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.989 -10.016 -16.387 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -10.099 -10.456 -14.102 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -11.579 -10.742 -14.996 1.00 0.00 H new ATOM 1034 N ILE A 65 -7.929 -7.414 -15.466 1.00 0.00 N ATOM 1035 CA ILE A 65 -6.744 -6.993 -14.729 1.00 0.00 C ATOM 1036 C ILE A 65 -7.011 -5.718 -13.936 1.00 0.00 C ATOM 1037 O ILE A 65 -6.928 -5.708 -12.708 1.00 0.00 O ATOM 1038 CB ILE A 65 -5.548 -6.757 -15.673 1.00 0.00 C ATOM 1039 CG1 ILE A 65 -5.357 -7.960 -16.598 1.00 0.00 C ATOM 1040 CG2 ILE A 65 -4.283 -6.493 -14.872 1.00 0.00 C ATOM 1041 CD1 ILE A 65 -4.985 -9.232 -15.870 1.00 0.00 C ATOM 0 H ILE A 65 -7.871 -7.273 -16.475 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.499 -7.801 -14.039 1.00 0.00 H new ATOM 0 HB ILE A 65 -5.756 -5.879 -16.285 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -6.278 -8.127 -17.157 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.580 -7.728 -17.326 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.448 -6.329 -15.554 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.424 -5.609 -14.251 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.069 -7.352 -14.237 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.866 -10.042 -16.590 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.048 -9.083 -15.333 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.772 -9.489 -15.161 1.00 0.00 H new ATOM 1053 N ARG A 66 -7.332 -4.641 -14.648 1.00 0.00 N ATOM 1054 CA ARG A 66 -7.611 -3.359 -14.009 1.00 0.00 C ATOM 1055 C ARG A 66 -8.770 -3.480 -13.024 1.00 0.00 C ATOM 1056 O ARG A 66 -8.798 -2.804 -11.996 1.00 0.00 O ATOM 1057 CB ARG A 66 -7.927 -2.295 -15.064 1.00 0.00 C ATOM 1058 CG ARG A 66 -9.222 -2.546 -15.818 1.00 0.00 C ATOM 1059 CD ARG A 66 -10.348 -1.663 -15.302 1.00 0.00 C ATOM 1060 NE ARG A 66 -10.107 -0.249 -15.582 1.00 0.00 N ATOM 1061 CZ ARG A 66 -10.328 0.321 -16.766 1.00 0.00 C ATOM 1062 NH1 ARG A 66 -10.790 -0.398 -17.781 1.00 0.00 N ATOM 1063 NH2 ARG A 66 -10.086 1.614 -16.933 1.00 0.00 N ATOM 0 H ARG A 66 -7.405 -4.631 -15.665 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.721 -3.057 -13.456 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.983 -1.321 -14.579 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -7.105 -2.249 -15.778 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -9.068 -2.357 -16.880 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.505 -3.594 -15.718 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.288 -1.969 -15.762 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -10.457 -1.806 -14.227 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.749 0.336 -14.827 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -10.978 -1.393 -17.657 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -10.957 0.044 -18.685 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -9.731 2.171 -16.156 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -10.255 2.052 -17.839 1.00 0.00 H new ATOM 1077 N LYS A 67 -9.725 -4.348 -13.345 1.00 0.00 N ATOM 1078 CA LYS A 67 -10.885 -4.559 -12.488 1.00 0.00 C ATOM 1079 C LYS A 67 -10.457 -5.062 -11.112 1.00 0.00 C ATOM 1080 O LYS A 67 -11.110 -4.784 -10.107 1.00 0.00 O ATOM 1081 CB LYS A 67 -11.847 -5.559 -13.132 1.00 0.00 C ATOM 1082 CG LYS A 67 -12.920 -4.905 -13.988 1.00 0.00 C ATOM 1083 CD LYS A 67 -13.565 -5.906 -14.933 1.00 0.00 C ATOM 1084 CE LYS A 67 -14.698 -6.661 -14.258 1.00 0.00 C ATOM 1085 NZ LYS A 67 -16.029 -6.081 -14.593 1.00 0.00 N ATOM 0 H LYS A 67 -9.718 -4.916 -14.192 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.395 -3.603 -12.366 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.277 -6.255 -13.748 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -12.326 -6.146 -12.348 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -13.683 -4.466 -13.345 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.481 -4.090 -14.564 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.946 -5.385 -15.811 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.813 -6.613 -15.283 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.670 -7.707 -14.564 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.555 -6.641 -13.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.775 -6.624 -14.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.065 -5.090 -14.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.177 -6.123 -15.622 1.00 0.00 H new ATOM 1099 N GLU A 68 -9.356 -5.805 -11.077 1.00 0.00 N ATOM 1100 CA GLU A 68 -8.839 -6.349 -9.826 1.00 0.00 C ATOM 1101 C GLU A 68 -8.250 -5.246 -8.953 1.00 0.00 C ATOM 1102 O GLU A 68 -8.577 -5.136 -7.771 1.00 0.00 O ATOM 1103 CB GLU A 68 -7.776 -7.412 -10.111 1.00 0.00 C ATOM 1104 CG GLU A 68 -7.443 -8.278 -8.908 1.00 0.00 C ATOM 1105 CD GLU A 68 -6.091 -7.946 -8.307 1.00 0.00 C ATOM 1106 OE1 GLU A 68 -5.063 -8.318 -8.913 1.00 0.00 O ATOM 1107 OE2 GLU A 68 -6.059 -7.313 -7.230 1.00 0.00 O ATOM 0 H GLU A 68 -8.804 -6.044 -11.901 1.00 0.00 H new ATOM 0 HA GLU A 68 -9.669 -6.807 -9.288 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -8.122 -8.051 -10.923 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -6.867 -6.921 -10.457 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -8.215 -8.151 -8.149 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -7.457 -9.327 -9.205 1.00 0.00 H new ATOM 1114 N LEU A 69 -7.381 -4.433 -9.543 1.00 0.00 N ATOM 1115 CA LEU A 69 -6.745 -3.338 -8.818 1.00 0.00 C ATOM 1116 C LEU A 69 -7.770 -2.286 -8.413 1.00 0.00 C ATOM 1117 O LEU A 69 -7.897 -1.954 -7.233 1.00 0.00 O ATOM 1118 CB LEU A 69 -5.650 -2.699 -9.675 1.00 0.00 C ATOM 1119 CG LEU A 69 -4.447 -2.162 -8.898 1.00 0.00 C ATOM 1120 CD1 LEU A 69 -3.694 -3.299 -8.226 1.00 0.00 C ATOM 1121 CD2 LEU A 69 -3.525 -1.382 -9.823 1.00 0.00 C ATOM 0 H LEU A 69 -7.101 -4.511 -10.521 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.295 -3.747 -7.913 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.297 -3.437 -10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.089 -1.881 -10.246 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.809 -1.487 -8.122 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -2.842 -2.897 -7.678 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.359 -3.817 -7.534 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -3.341 -3.999 -8.983 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.674 -1.006 -9.256 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -3.170 -2.036 -10.619 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.070 -0.544 -10.258 1.00 0.00 H new ATOM 1133 N GLU A 70 -8.504 -1.766 -9.392 1.00 0.00 N ATOM 1134 CA GLU A 70 -9.521 -0.755 -9.125 1.00 0.00 C ATOM 1135 C GLU A 70 -10.460 -1.221 -8.017 1.00 0.00 C ATOM 1136 O GLU A 70 -10.934 -0.421 -7.208 1.00 0.00 O ATOM 1137 CB GLU A 70 -10.315 -0.448 -10.398 1.00 0.00 C ATOM 1138 CG GLU A 70 -10.352 1.031 -10.749 1.00 0.00 C ATOM 1139 CD GLU A 70 -11.619 1.712 -10.270 1.00 0.00 C ATOM 1140 OE1 GLU A 70 -12.700 1.406 -10.817 1.00 0.00 O ATOM 1141 OE2 GLU A 70 -11.532 2.551 -9.350 1.00 0.00 O ATOM 0 H GLU A 70 -8.414 -2.027 -10.374 1.00 0.00 H new ATOM 0 HA GLU A 70 -9.022 0.157 -8.796 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -9.879 -1.000 -11.231 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -11.336 -0.810 -10.276 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -9.488 1.527 -10.307 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.268 1.146 -11.830 1.00 0.00 H new ATOM 1148 N GLU A 71 -10.712 -2.526 -7.982 1.00 0.00 N ATOM 1149 CA GLU A 71 -11.580 -3.110 -6.969 1.00 0.00 C ATOM 1150 C GLU A 71 -11.015 -2.861 -5.576 1.00 0.00 C ATOM 1151 O GLU A 71 -11.751 -2.544 -4.642 1.00 0.00 O ATOM 1152 CB GLU A 71 -11.741 -4.614 -7.207 1.00 0.00 C ATOM 1153 CG GLU A 71 -12.976 -4.975 -8.014 1.00 0.00 C ATOM 1154 CD GLU A 71 -13.030 -6.448 -8.371 1.00 0.00 C ATOM 1155 OE1 GLU A 71 -12.481 -7.266 -7.602 1.00 0.00 O ATOM 1156 OE2 GLU A 71 -13.620 -6.784 -9.419 1.00 0.00 O ATOM 0 H GLU A 71 -10.326 -3.198 -8.645 1.00 0.00 H new ATOM 0 HA GLU A 71 -12.559 -2.636 -7.041 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -10.857 -4.988 -7.724 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -11.785 -5.123 -6.244 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -13.867 -4.710 -7.445 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -12.994 -4.382 -8.929 1.00 0.00 H new ATOM 1163 N ALA A 72 -9.697 -3.001 -5.447 1.00 0.00 N ATOM 1164 CA ALA A 72 -9.029 -2.786 -4.170 1.00 0.00 C ATOM 1165 C ALA A 72 -8.754 -1.304 -3.933 1.00 0.00 C ATOM 1166 O ALA A 72 -8.579 -0.871 -2.794 1.00 0.00 O ATOM 1167 CB ALA A 72 -7.734 -3.583 -4.112 1.00 0.00 C ATOM 0 H ALA A 72 -9.074 -3.262 -6.211 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.693 -3.134 -3.378 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -7.245 -3.413 -3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -7.955 -4.645 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.073 -3.263 -4.918 1.00 0.00 H new ATOM 1173 N GLY A 73 -8.714 -0.530 -5.014 1.00 0.00 N ATOM 1174 CA GLY A 73 -8.461 0.895 -4.899 1.00 0.00 C ATOM 1175 C GLY A 73 -9.447 1.589 -3.980 1.00 0.00 C ATOM 1176 O GLY A 73 -9.056 2.196 -2.984 1.00 0.00 O ATOM 0 H GLY A 73 -8.852 -0.865 -5.968 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.449 1.052 -4.525 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -8.510 1.350 -5.888 1.00 0.00 H new ATOM 1180 N ALA A 74 -10.731 1.499 -4.316 1.00 0.00 N ATOM 1181 CA ALA A 74 -11.776 2.124 -3.513 1.00 0.00 C ATOM 1182 C ALA A 74 -13.161 1.687 -3.977 1.00 0.00 C ATOM 1183 O ALA A 74 -14.094 2.489 -4.025 1.00 0.00 O ATOM 1184 CB ALA A 74 -11.650 3.639 -3.570 1.00 0.00 C ATOM 0 H ALA A 74 -11.072 1.000 -5.138 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.650 1.799 -2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -12.436 4.092 -2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.676 3.938 -3.182 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.747 3.974 -4.603 1.00 0.00 H new ATOM 1190 N LYS A 75 -13.288 0.411 -4.320 1.00 0.00 N ATOM 1191 CA LYS A 75 -14.558 -0.135 -4.782 1.00 0.00 C ATOM 1192 C LYS A 75 -15.271 -0.882 -3.665 1.00 0.00 C ATOM 1193 O LYS A 75 -16.259 -0.406 -3.107 1.00 0.00 O ATOM 1194 CB LYS A 75 -14.329 -1.063 -5.977 1.00 0.00 C ATOM 1195 CG LYS A 75 -15.062 -0.626 -7.236 1.00 0.00 C ATOM 1196 CD LYS A 75 -16.424 -1.293 -7.349 1.00 0.00 C ATOM 1197 CE LYS A 75 -16.744 -1.663 -8.789 1.00 0.00 C ATOM 1198 NZ LYS A 75 -17.616 -2.868 -8.874 1.00 0.00 N ATOM 0 H LYS A 75 -12.526 -0.266 -4.287 1.00 0.00 H new ATOM 0 HA LYS A 75 -15.192 0.695 -5.092 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -13.261 -1.114 -6.188 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -14.650 -2.070 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -15.186 0.457 -7.229 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -14.462 -0.872 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -16.444 -2.189 -6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -17.192 -0.622 -6.965 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -17.237 -0.823 -9.278 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -15.816 -1.848 -9.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -17.810 -3.086 -9.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -17.135 -3.676 -8.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -18.512 -2.684 -8.379 1.00 0.00 H new ATOM 1212 N ILE A 76 -14.758 -2.058 -3.355 1.00 0.00 N ATOM 1213 CA ILE A 76 -15.330 -2.900 -2.308 1.00 0.00 C ATOM 1214 C ILE A 76 -14.621 -2.697 -0.973 1.00 0.00 C ATOM 1215 O ILE A 76 -14.391 -3.651 -0.230 1.00 0.00 O ATOM 1216 CB ILE A 76 -15.258 -4.391 -2.682 1.00 0.00 C ATOM 1217 CG1 ILE A 76 -13.867 -4.744 -3.211 1.00 0.00 C ATOM 1218 CG2 ILE A 76 -16.327 -4.735 -3.708 1.00 0.00 C ATOM 1219 CD1 ILE A 76 -13.493 -6.196 -3.008 1.00 0.00 C ATOM 0 H ILE A 76 -13.940 -2.459 -3.814 1.00 0.00 H new ATOM 0 HA ILE A 76 -16.374 -2.601 -2.210 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.443 -4.982 -1.785 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.822 -4.511 -4.275 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -13.128 -4.114 -2.715 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.261 -5.793 -3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.312 -4.522 -3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.175 -4.137 -4.607 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -12.494 -6.374 -3.407 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -13.505 -6.429 -1.943 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.210 -6.832 -3.527 1.00 0.00 H new ATOM 1231 N ASN A 77 -14.280 -1.449 -0.672 1.00 0.00 N ATOM 1232 CA ASN A 77 -13.599 -1.115 0.578 1.00 0.00 C ATOM 1233 C ASN A 77 -12.170 -1.650 0.588 1.00 0.00 C ATOM 1234 O ASN A 77 -11.210 -0.880 0.637 1.00 0.00 O ATOM 1235 CB ASN A 77 -14.373 -1.674 1.776 1.00 0.00 C ATOM 1236 CG ASN A 77 -15.855 -1.360 1.704 1.00 0.00 C ATOM 1237 OD1 ASN A 77 -16.697 -2.207 2.004 1.00 0.00 O ATOM 1238 ND2 ASN A 77 -16.182 -0.137 1.305 1.00 0.00 N ATOM 0 H ASN A 77 -14.464 -0.648 -1.277 1.00 0.00 H new ATOM 0 HA ASN A 77 -13.559 -0.028 0.654 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -14.235 -2.754 1.822 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -13.961 -1.260 2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -17.164 0.132 1.237 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -15.452 0.534 1.066 1.00 0.00 H new ATOM 1245 N HIS A 78 -12.036 -2.973 0.546 1.00 0.00 N ATOM 1246 CA HIS A 78 -10.725 -3.617 0.553 1.00 0.00 C ATOM 1247 C HIS A 78 -10.009 -3.380 1.879 1.00 0.00 C ATOM 1248 O HIS A 78 -9.104 -2.550 1.969 1.00 0.00 O ATOM 1249 CB HIS A 78 -9.867 -3.105 -0.607 1.00 0.00 C ATOM 1250 CG HIS A 78 -8.507 -3.732 -0.668 1.00 0.00 C ATOM 1251 ND1 HIS A 78 -8.129 -5.007 -0.926 1.00 0.00 N flip ATOM 1252 CD2 HIS A 78 -7.343 -3.027 -0.446 1.00 0.00 C flip ATOM 1253 CE1 HIS A 78 -6.758 -5.047 -0.855 1.00 0.00 C flip ATOM 1254 NE2 HIS A 78 -6.308 -3.840 -0.564 1.00 0.00 N flip ATOM 0 H HIS A 78 -12.822 -3.622 0.507 1.00 0.00 H new ATOM 0 HA HIS A 78 -10.877 -4.689 0.430 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -10.388 -3.295 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -9.756 -2.024 -0.517 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -7.286 -1.974 -0.212 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.147 -5.924 -1.012 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -5.328 -3.580 -0.450 1.00 0.00 H new ATOM 1263 N THR A 79 -10.420 -4.120 2.902 1.00 0.00 N ATOM 1264 CA THR A 79 -9.823 -4.000 4.226 1.00 0.00 C ATOM 1265 C THR A 79 -10.189 -5.202 5.090 1.00 0.00 C ATOM 1266 O THR A 79 -10.360 -5.080 6.303 1.00 0.00 O ATOM 1267 CB THR A 79 -10.281 -2.708 4.906 1.00 0.00 C ATOM 1268 OG1 THR A 79 -9.747 -2.613 6.214 1.00 0.00 O ATOM 1269 CG2 THR A 79 -11.787 -2.592 5.016 1.00 0.00 C ATOM 0 H THR A 79 -11.167 -4.812 2.839 1.00 0.00 H new ATOM 0 HA THR A 79 -8.740 -3.970 4.109 1.00 0.00 H new ATOM 0 HB THR A 79 -9.915 -1.901 4.271 1.00 0.00 H new ATOM 0 HG1 THR A 79 -10.055 -3.374 6.749 1.00 0.00 H new ATOM 0 HG21 THR A 79 -12.045 -1.654 5.507 1.00 0.00 H new ATOM 0 HG22 THR A 79 -12.227 -2.612 4.019 1.00 0.00 H new ATOM 0 HG23 THR A 79 -12.174 -3.426 5.601 1.00 0.00 H new ATOM 1277 N THR A 80 -10.314 -6.363 4.454 1.00 0.00 N ATOM 1278 CA THR A 80 -10.668 -7.589 5.161 1.00 0.00 C ATOM 1279 C THR A 80 -9.766 -8.757 4.757 1.00 0.00 C ATOM 1280 O THR A 80 -9.969 -9.886 5.203 1.00 0.00 O ATOM 1281 CB THR A 80 -12.131 -7.946 4.892 1.00 0.00 C ATOM 1282 OG1 THR A 80 -12.287 -8.467 3.584 1.00 0.00 O ATOM 1283 CG2 THR A 80 -13.068 -6.766 5.032 1.00 0.00 C ATOM 0 H THR A 80 -10.175 -6.480 3.450 1.00 0.00 H new ATOM 0 HA THR A 80 -10.525 -7.409 6.226 1.00 0.00 H new ATOM 0 HB THR A 80 -12.392 -8.689 5.646 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.229 -8.691 3.431 1.00 0.00 H new ATOM 0 HG21 THR A 80 -14.090 -7.087 4.828 1.00 0.00 H new ATOM 0 HG22 THR A 80 -13.007 -6.371 6.046 1.00 0.00 H new ATOM 0 HG23 THR A 80 -12.783 -5.989 4.322 1.00 0.00 H new ATOM 1291 N LEU A 81 -8.771 -8.486 3.913 1.00 0.00 N ATOM 1292 CA LEU A 81 -7.848 -9.524 3.461 1.00 0.00 C ATOM 1293 C LEU A 81 -8.601 -10.708 2.855 1.00 0.00 C ATOM 1294 O LEU A 81 -8.106 -11.836 2.857 1.00 0.00 O ATOM 1295 CB LEU A 81 -6.976 -10.002 4.625 1.00 0.00 C ATOM 1296 CG LEU A 81 -5.618 -9.306 4.747 1.00 0.00 C ATOM 1297 CD1 LEU A 81 -5.678 -8.199 5.788 1.00 0.00 C ATOM 1298 CD2 LEU A 81 -4.532 -10.312 5.099 1.00 0.00 C ATOM 0 H LEU A 81 -8.585 -7.559 3.530 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.211 -9.092 2.689 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -7.526 -9.857 5.555 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.809 -11.074 4.518 1.00 0.00 H new ATOM 0 HG LEU A 81 -5.373 -8.859 3.784 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.704 -7.715 5.861 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.427 -7.464 5.494 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -5.946 -8.624 6.756 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -3.574 -9.799 5.181 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -4.772 -10.788 6.050 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.472 -11.070 4.318 1.00 0.00 H new ATOM 1310 N LYS A 82 -9.797 -10.448 2.337 1.00 0.00 N ATOM 1311 CA LYS A 82 -10.610 -11.497 1.732 1.00 0.00 C ATOM 1312 C LYS A 82 -10.174 -11.766 0.297 1.00 0.00 C ATOM 1313 O LYS A 82 -9.674 -12.846 -0.016 1.00 0.00 O ATOM 1314 CB LYS A 82 -12.090 -11.110 1.765 1.00 0.00 C ATOM 1315 CG LYS A 82 -13.015 -12.201 1.249 1.00 0.00 C ATOM 1316 CD LYS A 82 -13.161 -13.332 2.256 1.00 0.00 C ATOM 1317 CE LYS A 82 -14.132 -14.393 1.764 1.00 0.00 C ATOM 1318 NZ LYS A 82 -13.678 -15.767 2.119 1.00 0.00 N ATOM 0 H LYS A 82 -10.224 -9.522 2.324 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.468 -12.409 2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -12.370 -10.862 2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.235 -10.210 1.168 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.995 -11.776 1.033 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.625 -12.596 0.311 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.187 -13.786 2.439 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.510 -12.931 3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -15.116 -14.213 2.196 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.239 -14.314 0.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.367 -16.462 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -12.750 -15.949 1.686 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -13.600 -15.851 3.153 1.00 0.00 H new ATOM 1332 N ILE A 83 -10.362 -10.777 -0.573 1.00 0.00 N ATOM 1333 CA ILE A 83 -9.981 -10.913 -1.973 1.00 0.00 C ATOM 1334 C ILE A 83 -8.515 -11.310 -2.102 1.00 0.00 C ATOM 1335 O ILE A 83 -8.124 -11.982 -3.057 1.00 0.00 O ATOM 1336 CB ILE A 83 -10.224 -9.610 -2.757 1.00 0.00 C ATOM 1337 CG1 ILE A 83 -9.521 -8.435 -2.074 1.00 0.00 C ATOM 1338 CG2 ILE A 83 -11.716 -9.340 -2.883 1.00 0.00 C ATOM 1339 CD1 ILE A 83 -8.887 -7.463 -3.046 1.00 0.00 C ATOM 0 H ILE A 83 -10.775 -9.876 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 83 -10.608 -11.697 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 83 -9.807 -9.724 -3.758 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.242 -7.900 -1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -8.752 -8.821 -1.405 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.873 -8.416 -3.439 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -12.192 -10.166 -3.411 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.154 -9.244 -1.889 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.407 -6.656 -2.493 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -8.142 -7.984 -3.647 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.655 -7.048 -3.699 1.00 0.00 H new ATOM 1351 N LEU A 84 -7.711 -10.899 -1.128 1.00 0.00 N ATOM 1352 CA LEU A 84 -6.291 -11.222 -1.124 1.00 0.00 C ATOM 1353 C LEU A 84 -6.083 -12.670 -0.700 1.00 0.00 C ATOM 1354 O LEU A 84 -5.158 -13.338 -1.163 1.00 0.00 O ATOM 1355 CB LEU A 84 -5.533 -10.282 -0.185 1.00 0.00 C ATOM 1356 CG LEU A 84 -4.027 -10.533 -0.093 1.00 0.00 C ATOM 1357 CD1 LEU A 84 -3.278 -9.220 0.076 1.00 0.00 C ATOM 1358 CD2 LEU A 84 -3.715 -11.478 1.058 1.00 0.00 C ATOM 0 H LEU A 84 -8.019 -10.342 -0.331 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.902 -11.092 -2.134 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.695 -9.256 -0.515 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -5.962 -10.368 0.814 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.697 -11.000 -1.021 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -2.208 -9.417 0.140 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -3.478 -8.574 -0.779 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -3.611 -8.726 0.989 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.639 -11.646 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.059 -11.037 1.994 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.223 -12.429 0.896 1.00 0.00 H new ATOM 1370 N GLU A 85 -6.961 -13.152 0.175 1.00 0.00 N ATOM 1371 CA GLU A 85 -6.885 -14.525 0.653 1.00 0.00 C ATOM 1372 C GLU A 85 -7.421 -15.488 -0.402 1.00 0.00 C ATOM 1373 O GLU A 85 -7.055 -16.663 -0.427 1.00 0.00 O ATOM 1374 CB GLU A 85 -7.675 -14.681 1.956 1.00 0.00 C ATOM 1375 CG GLU A 85 -6.812 -14.572 3.204 1.00 0.00 C ATOM 1376 CD GLU A 85 -7.132 -15.643 4.228 1.00 0.00 C ATOM 1377 OE1 GLU A 85 -8.320 -16.012 4.351 1.00 0.00 O ATOM 1378 OE2 GLU A 85 -6.196 -16.113 4.909 1.00 0.00 O ATOM 0 H GLU A 85 -7.732 -12.611 0.566 1.00 0.00 H new ATOM 0 HA GLU A 85 -5.839 -14.764 0.845 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.453 -13.918 1.994 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.177 -15.649 1.954 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -5.762 -14.646 2.923 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.953 -13.590 3.655 1.00 0.00 H new ATOM 1385 N GLY A 86 -8.289 -14.980 -1.275 1.00 0.00 N ATOM 1386 CA GLY A 86 -8.857 -15.806 -2.323 1.00 0.00 C ATOM 1387 C GLY A 86 -8.045 -15.755 -3.603 1.00 0.00 C ATOM 1388 O GLY A 86 -8.093 -16.680 -4.414 1.00 0.00 O ATOM 0 H GLY A 86 -8.608 -14.011 -1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.919 -16.837 -1.976 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -9.876 -15.478 -2.529 1.00 0.00 H new ATOM 1392 N HIS A 87 -7.298 -14.669 -3.788 1.00 0.00 N ATOM 1393 CA HIS A 87 -6.474 -14.503 -4.979 1.00 0.00 C ATOM 1394 C HIS A 87 -5.012 -14.814 -4.676 1.00 0.00 C ATOM 1395 O HIS A 87 -4.431 -15.736 -5.245 1.00 0.00 O ATOM 1396 CB HIS A 87 -6.603 -13.079 -5.521 1.00 0.00 C ATOM 1397 CG HIS A 87 -6.586 -13.004 -7.016 1.00 0.00 C ATOM 1398 ND1 HIS A 87 -6.180 -14.051 -7.817 1.00 0.00 N ATOM 1399 CD2 HIS A 87 -6.929 -12.000 -7.858 1.00 0.00 C ATOM 1400 CE1 HIS A 87 -6.273 -13.694 -9.085 1.00 0.00 C ATOM 1401 NE2 HIS A 87 -6.726 -12.455 -9.138 1.00 0.00 N ATOM 0 H HIS A 87 -7.247 -13.893 -3.128 1.00 0.00 H new ATOM 0 HA HIS A 87 -6.827 -15.204 -5.735 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -7.532 -12.642 -5.154 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -5.788 -12.473 -5.126 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -7.294 -11.024 -7.576 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -6.021 -14.311 -9.935 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -6.897 -11.922 -9.991 1.00 0.00 H new ATOM 1410 N LEU A 88 -4.423 -14.036 -3.771 1.00 0.00 N ATOM 1411 CA LEU A 88 -3.029 -14.230 -3.390 1.00 0.00 C ATOM 1412 C LEU A 88 -2.890 -15.398 -2.420 1.00 0.00 C ATOM 1413 O LEU A 88 -1.982 -16.232 -2.625 1.00 0.00 O ATOM 1414 CB LEU A 88 -2.468 -12.957 -2.753 1.00 0.00 C ATOM 1415 CG LEU A 88 -2.264 -11.785 -3.715 1.00 0.00 C ATOM 1416 CD1 LEU A 88 -1.286 -12.164 -4.816 1.00 0.00 C ATOM 1417 CD2 LEU A 88 -3.594 -11.346 -4.306 1.00 0.00 C ATOM 1418 OXT LEU A 88 -3.690 -15.471 -1.464 1.00 0.00 O ATOM 0 H LEU A 88 -4.889 -13.267 -3.289 1.00 0.00 H new ATOM 0 HA LEU A 88 -2.461 -14.457 -4.292 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -3.142 -12.640 -1.957 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -1.512 -13.194 -2.286 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.843 -10.948 -3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -1.153 -11.319 -5.491 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.326 -12.430 -4.374 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.677 -13.015 -5.373 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.431 -10.511 -4.988 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.042 -12.177 -4.850 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -4.263 -11.034 -3.504 1.00 0.00 H new