USER MOD reduce.3.24.130724 H: found=0, std=0, add=621, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 621 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 5 GLN : amide:sc= 0.0103 X(o=-0.55,f=-0.57) USER MOD Set 1.2: A 7 TYR OH : rot -5:sc= -0.56 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 144:sc= 0.942 (180deg=-0.0726!) USER MOD Single : A 2 MET CE :methyl -168:sc= -0.314 (180deg=-0.315) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 CYS SG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot -170:sc= -3.05! USER MOD Single : A 15 GLN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= -2.5 K(o=-2.5,f=-5.6!) USER MOD Single : A 26 LYS NZ :NH3+ 147:sc= 0.59 (180deg=-1.07) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.0513 K(o=-0.051,f=-0.71) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0425 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 140:sc=-0.00461 (180deg=-0.201) USER MOD Single : A 77 SER OG : rot -34:sc= 0.748 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 3.939 -10.736 -8.435 1.00 0.00 N ATOM 2 CA MET A 1 4.462 -9.345 -8.479 1.00 0.00 C ATOM 3 C MET A 1 3.341 -8.326 -8.293 1.00 0.00 C ATOM 4 O MET A 1 2.921 -7.678 -9.252 1.00 0.00 O ATOM 5 CB MET A 1 5.149 -9.130 -9.830 1.00 0.00 C ATOM 6 CG MET A 1 6.569 -9.672 -9.885 1.00 0.00 C ATOM 7 SD MET A 1 7.657 -8.892 -8.676 1.00 0.00 S ATOM 8 CE MET A 1 9.175 -9.801 -8.949 1.00 0.00 C ATOM 0 H1 MET A 1 4.468 -11.327 -9.108 1.00 0.00 H new ATOM 0 H2 MET A 1 4.052 -11.119 -7.475 1.00 0.00 H new ATOM 0 H3 MET A 1 2.931 -10.736 -8.692 1.00 0.00 H new ATOM 0 HA MET A 1 5.172 -9.203 -7.664 1.00 0.00 H new ATOM 0 HB2 MET A 1 4.556 -9.608 -10.610 1.00 0.00 H new ATOM 0 HB3 MET A 1 5.167 -8.063 -10.053 1.00 0.00 H new ATOM 0 HG2 MET A 1 6.550 -10.748 -9.711 1.00 0.00 H new ATOM 0 HG3 MET A 1 6.974 -9.518 -10.885 1.00 0.00 H new ATOM 0 HE1 MET A 1 9.946 -9.432 -8.273 1.00 0.00 H new ATOM 0 HE2 MET A 1 9.003 -10.861 -8.761 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.501 -9.664 -9.980 1.00 0.00 H new ATOM 20 N MET A 2 2.852 -8.179 -7.060 1.00 0.00 N ATOM 21 CA MET A 2 1.780 -7.221 -6.796 1.00 0.00 C ATOM 22 C MET A 2 2.340 -5.806 -6.645 1.00 0.00 C ATOM 23 O MET A 2 3.051 -5.506 -5.688 1.00 0.00 O ATOM 24 CB MET A 2 0.999 -7.623 -5.542 1.00 0.00 C ATOM 25 CG MET A 2 -0.510 -7.546 -5.714 1.00 0.00 C ATOM 26 SD MET A 2 -1.362 -8.992 -5.050 1.00 0.00 S ATOM 27 CE MET A 2 -1.900 -9.792 -6.560 1.00 0.00 C ATOM 0 H MET A 2 3.174 -8.700 -6.244 1.00 0.00 H new ATOM 0 HA MET A 2 1.099 -7.229 -7.647 1.00 0.00 H new ATOM 0 HB2 MET A 2 1.273 -8.641 -5.264 1.00 0.00 H new ATOM 0 HB3 MET A 2 1.296 -6.976 -4.716 1.00 0.00 H new ATOM 0 HG2 MET A 2 -0.883 -6.650 -5.218 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.746 -7.445 -6.773 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.617 -10.577 -6.320 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.371 -9.057 -7.213 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.040 -10.229 -7.067 1.00 0.00 H new ATOM 37 N LYS A 3 2.018 -4.936 -7.598 1.00 0.00 N ATOM 38 CA LYS A 3 2.498 -3.556 -7.561 1.00 0.00 C ATOM 39 C LYS A 3 1.846 -2.793 -6.416 1.00 0.00 C ATOM 40 O LYS A 3 0.632 -2.593 -6.398 1.00 0.00 O ATOM 41 CB LYS A 3 2.215 -2.854 -8.891 1.00 0.00 C ATOM 42 CG LYS A 3 0.770 -2.965 -9.349 1.00 0.00 C ATOM 43 CD LYS A 3 0.510 -2.121 -10.587 1.00 0.00 C ATOM 44 CE LYS A 3 1.335 -2.599 -11.770 1.00 0.00 C ATOM 45 NZ LYS A 3 0.831 -2.047 -13.057 1.00 0.00 N ATOM 0 H LYS A 3 1.430 -5.159 -8.401 1.00 0.00 H new ATOM 0 HA LYS A 3 3.576 -3.574 -7.398 1.00 0.00 H new ATOM 0 HB2 LYS A 3 2.477 -1.800 -8.797 1.00 0.00 H new ATOM 0 HB3 LYS A 3 2.863 -3.276 -9.659 1.00 0.00 H new ATOM 0 HG2 LYS A 3 0.534 -4.008 -9.562 1.00 0.00 H new ATOM 0 HG3 LYS A 3 0.107 -2.646 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -0.549 -2.162 -10.841 1.00 0.00 H new ATOM 0 HD3 LYS A 3 0.747 -1.079 -10.374 1.00 0.00 H new ATOM 0 HE2 LYS A 3 2.375 -2.303 -11.631 1.00 0.00 H new ATOM 0 HE3 LYS A 3 1.316 -3.688 -11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 1.420 -2.397 -13.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -0.153 -2.350 -13.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 0.873 -1.008 -13.029 1.00 0.00 H new ATOM 59 N ILE A 4 2.664 -2.386 -5.452 1.00 0.00 N ATOM 60 CA ILE A 4 2.173 -1.661 -4.289 1.00 0.00 C ATOM 61 C ILE A 4 2.837 -0.293 -4.163 1.00 0.00 C ATOM 62 O ILE A 4 4.058 -0.183 -4.066 1.00 0.00 O ATOM 63 CB ILE A 4 2.398 -2.483 -3.000 1.00 0.00 C ATOM 64 CG1 ILE A 4 1.313 -3.550 -2.875 1.00 0.00 C ATOM 65 CG2 ILE A 4 2.421 -1.594 -1.763 1.00 0.00 C ATOM 66 CD1 ILE A 4 1.864 -4.952 -2.822 1.00 0.00 C ATOM 0 H ILE A 4 3.671 -2.547 -5.454 1.00 0.00 H new ATOM 0 HA ILE A 4 1.103 -1.505 -4.426 1.00 0.00 H new ATOM 0 HB ILE A 4 3.373 -2.966 -3.069 1.00 0.00 H new ATOM 0 HG12 ILE A 4 0.729 -3.362 -1.974 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.631 -3.466 -3.721 1.00 0.00 H new ATOM 0 HG21 ILE A 4 2.581 -2.208 -0.877 1.00 0.00 H new ATOM 0 HG22 ILE A 4 3.229 -0.867 -1.852 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.470 -1.070 -1.674 1.00 0.00 H new ATOM 0 HD11 ILE A 4 1.042 -5.663 -2.733 1.00 0.00 H new ATOM 0 HD12 ILE A 4 2.424 -5.157 -3.734 1.00 0.00 H new ATOM 0 HD13 ILE A 4 2.524 -5.051 -1.960 1.00 0.00 H new ATOM 78 N GLN A 5 2.009 0.744 -4.159 1.00 0.00 N ATOM 79 CA GLN A 5 2.489 2.116 -4.036 1.00 0.00 C ATOM 80 C GLN A 5 2.095 2.703 -2.686 1.00 0.00 C ATOM 81 O GLN A 5 0.952 2.556 -2.249 1.00 0.00 O ATOM 82 CB GLN A 5 1.927 2.979 -5.167 1.00 0.00 C ATOM 83 CG GLN A 5 2.395 2.551 -6.549 1.00 0.00 C ATOM 84 CD GLN A 5 1.255 2.430 -7.541 1.00 0.00 C ATOM 85 OE1 GLN A 5 1.032 3.322 -8.360 1.00 0.00 O ATOM 86 NE2 GLN A 5 0.525 1.323 -7.472 1.00 0.00 N ATOM 0 H GLN A 5 0.996 0.661 -4.240 1.00 0.00 H new ATOM 0 HA GLN A 5 3.577 2.106 -4.107 1.00 0.00 H new ATOM 0 HB2 GLN A 5 0.838 2.943 -5.134 1.00 0.00 H new ATOM 0 HB3 GLN A 5 2.217 4.016 -5.000 1.00 0.00 H new ATOM 0 HG2 GLN A 5 3.121 3.273 -6.922 1.00 0.00 H new ATOM 0 HG3 GLN A 5 2.909 1.593 -6.474 1.00 0.00 H new ATOM 0 HE21 GLN A 5 0.745 0.609 -6.777 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -0.256 1.186 -8.114 1.00 0.00 H new ATOM 95 N ILE A 6 3.042 3.372 -2.031 1.00 0.00 N ATOM 96 CA ILE A 6 2.791 3.983 -0.730 1.00 0.00 C ATOM 97 C ILE A 6 3.019 5.485 -0.797 1.00 0.00 C ATOM 98 O ILE A 6 4.142 5.939 -1.017 1.00 0.00 O ATOM 99 CB ILE A 6 3.699 3.382 0.364 1.00 0.00 C ATOM 100 CG1 ILE A 6 3.861 1.873 0.160 1.00 0.00 C ATOM 101 CG2 ILE A 6 3.131 3.678 1.745 1.00 0.00 C ATOM 102 CD1 ILE A 6 5.098 1.498 -0.626 1.00 0.00 C ATOM 0 H ILE A 6 3.991 3.504 -2.382 1.00 0.00 H new ATOM 0 HA ILE A 6 1.752 3.778 -0.471 1.00 0.00 H new ATOM 0 HB ILE A 6 4.683 3.844 0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.898 1.385 1.134 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.982 1.488 -0.357 1.00 0.00 H new ATOM 0 HG21 ILE A 6 3.782 3.248 2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 6 3.068 4.757 1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 6 2.136 3.242 1.830 1.00 0.00 H new ATOM 0 HD11 ILE A 6 5.147 0.414 -0.731 1.00 0.00 H new ATOM 0 HD12 ILE A 6 5.055 1.957 -1.614 1.00 0.00 H new ATOM 0 HD13 ILE A 6 5.985 1.852 -0.100 1.00 0.00 H new ATOM 114 N TYR A 7 1.950 6.258 -0.631 1.00 0.00 N ATOM 115 CA TYR A 7 2.060 7.706 -0.703 1.00 0.00 C ATOM 116 C TYR A 7 2.007 8.363 0.668 1.00 0.00 C ATOM 117 O TYR A 7 1.003 8.285 1.374 1.00 0.00 O ATOM 118 CB TYR A 7 0.977 8.267 -1.627 1.00 0.00 C ATOM 119 CG TYR A 7 1.007 7.642 -3.010 1.00 0.00 C ATOM 120 CD1 TYR A 7 0.426 6.404 -3.227 1.00 0.00 C ATOM 121 CD2 TYR A 7 1.635 8.264 -4.087 1.00 0.00 C ATOM 122 CE1 TYR A 7 0.457 5.800 -4.466 1.00 0.00 C ATOM 123 CE2 TYR A 7 1.674 7.664 -5.331 1.00 0.00 C ATOM 124 CZ TYR A 7 1.084 6.433 -5.516 1.00 0.00 C ATOM 125 OH TYR A 7 1.123 5.832 -6.753 1.00 0.00 O ATOM 0 H TYR A 7 1.009 5.909 -0.448 1.00 0.00 H new ATOM 0 HA TYR A 7 3.040 7.942 -1.118 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.002 8.098 -1.178 1.00 0.00 H new ATOM 0 HB3 TYR A 7 1.105 9.346 -1.717 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.063 5.900 -2.407 1.00 0.00 H new ATOM 0 HD2 TYR A 7 2.098 9.230 -3.947 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -0.008 4.836 -4.612 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.166 8.159 -6.156 1.00 0.00 H new ATOM 0 HH TYR A 7 0.734 4.934 -6.693 1.00 0.00 H new ATOM 135 N GLY A 8 3.111 9.016 1.029 1.00 0.00 N ATOM 136 CA GLY A 8 3.191 9.690 2.311 1.00 0.00 C ATOM 137 C GLY A 8 4.533 9.490 2.989 1.00 0.00 C ATOM 138 O GLY A 8 5.387 10.376 2.963 1.00 0.00 O ATOM 0 H GLY A 8 3.951 9.089 0.454 1.00 0.00 H new ATOM 0 HA2 GLY A 8 3.014 10.756 2.169 1.00 0.00 H new ATOM 0 HA3 GLY A 8 2.399 9.320 2.963 1.00 0.00 H new ATOM 142 N THR A 9 4.717 8.321 3.595 1.00 0.00 N ATOM 143 CA THR A 9 5.962 7.999 4.283 1.00 0.00 C ATOM 144 C THR A 9 6.126 8.836 5.548 1.00 0.00 C ATOM 145 O THR A 9 6.109 8.308 6.660 1.00 0.00 O ATOM 146 CB THR A 9 7.185 8.221 3.373 1.00 0.00 C ATOM 147 OG1 THR A 9 6.910 7.731 2.055 1.00 0.00 O ATOM 148 CG2 THR A 9 8.415 7.518 3.933 1.00 0.00 C ATOM 0 H THR A 9 4.017 7.579 3.623 1.00 0.00 H new ATOM 0 HA THR A 9 5.907 6.944 4.552 1.00 0.00 H new ATOM 0 HB THR A 9 7.387 9.291 3.330 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.691 7.877 1.482 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.265 7.690 3.272 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.640 7.913 4.924 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.222 6.448 4.004 1.00 0.00 H new ATOM 156 N GLY A 10 6.290 10.143 5.370 1.00 0.00 N ATOM 157 CA GLY A 10 6.459 11.032 6.504 1.00 0.00 C ATOM 158 C GLY A 10 5.290 10.978 7.470 1.00 0.00 C ATOM 159 O GLY A 10 5.234 10.109 8.339 1.00 0.00 O ATOM 0 H GLY A 10 6.309 10.602 4.460 1.00 0.00 H new ATOM 0 HA2 GLY A 10 7.375 10.769 7.033 1.00 0.00 H new ATOM 0 HA3 GLY A 10 6.581 12.054 6.144 1.00 0.00 H new ATOM 163 N CYS A 11 4.358 11.914 7.321 1.00 0.00 N ATOM 164 CA CYS A 11 3.187 11.974 8.190 1.00 0.00 C ATOM 165 C CYS A 11 2.317 10.732 8.029 1.00 0.00 C ATOM 166 O CYS A 11 1.881 10.136 9.014 1.00 0.00 O ATOM 167 CB CYS A 11 2.365 13.229 7.886 1.00 0.00 C ATOM 168 SG CYS A 11 2.968 14.722 8.710 1.00 0.00 S ATOM 0 H CYS A 11 4.391 12.641 6.607 1.00 0.00 H new ATOM 0 HA CYS A 11 3.537 12.015 9.221 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.362 13.397 6.809 1.00 0.00 H new ATOM 0 HB3 CYS A 11 1.331 13.055 8.184 1.00 0.00 H new ATOM 0 HG CYS A 11 2.211 15.730 8.390 1.00 0.00 H new ATOM 174 N ALA A 12 2.065 10.345 6.781 1.00 0.00 N ATOM 175 CA ALA A 12 1.245 9.174 6.494 1.00 0.00 C ATOM 176 C ALA A 12 1.777 7.935 7.212 1.00 0.00 C ATOM 177 O ALA A 12 2.908 7.509 6.981 1.00 0.00 O ATOM 178 CB ALA A 12 1.179 8.930 4.992 1.00 0.00 C ATOM 0 H ALA A 12 2.417 10.826 5.953 1.00 0.00 H new ATOM 0 HA ALA A 12 0.239 9.369 6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.564 8.053 4.793 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.742 9.799 4.501 1.00 0.00 H new ATOM 0 HB3 ALA A 12 2.185 8.763 4.606 1.00 0.00 H new ATOM 184 N ASN A 13 0.951 7.362 8.085 1.00 0.00 N ATOM 185 CA ASN A 13 1.331 6.170 8.841 1.00 0.00 C ATOM 186 C ASN A 13 1.272 4.903 7.982 1.00 0.00 C ATOM 187 O ASN A 13 1.289 3.790 8.509 1.00 0.00 O ATOM 188 CB ASN A 13 0.421 6.009 10.062 1.00 0.00 C ATOM 189 CG ASN A 13 0.813 6.928 11.201 1.00 0.00 C ATOM 190 OD1 ASN A 13 0.131 7.914 11.482 1.00 0.00 O ATOM 191 ND2 ASN A 13 1.920 6.611 11.865 1.00 0.00 N ATOM 0 H ASN A 13 0.012 7.705 8.287 1.00 0.00 H new ATOM 0 HA ASN A 13 2.363 6.305 9.165 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -0.610 6.213 9.773 1.00 0.00 H new ATOM 0 HB3 ASN A 13 0.457 4.975 10.405 1.00 0.00 H new ATOM 0 HD21 ASN A 13 2.234 7.194 12.641 1.00 0.00 H new ATOM 0 HD22 ASN A 13 2.455 5.785 11.599 1.00 0.00 H new ATOM 198 N CYS A 14 1.201 5.071 6.664 1.00 0.00 N ATOM 199 CA CYS A 14 1.138 3.930 5.749 1.00 0.00 C ATOM 200 C CYS A 14 2.338 2.999 5.930 1.00 0.00 C ATOM 201 O CYS A 14 2.296 1.834 5.535 1.00 0.00 O ATOM 202 CB CYS A 14 1.067 4.407 4.294 1.00 0.00 C ATOM 203 SG CYS A 14 2.187 5.771 3.902 1.00 0.00 S ATOM 0 H CYS A 14 1.186 5.982 6.205 1.00 0.00 H new ATOM 0 HA CYS A 14 0.233 3.372 5.988 1.00 0.00 H new ATOM 0 HB2 CYS A 14 1.293 3.567 3.637 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.045 4.717 4.075 1.00 0.00 H new ATOM 0 HG CYS A 14 1.906 6.237 2.721 1.00 0.00 H new ATOM 209 N GLN A 15 3.406 3.519 6.528 1.00 0.00 N ATOM 210 CA GLN A 15 4.617 2.745 6.764 1.00 0.00 C ATOM 211 C GLN A 15 4.299 1.417 7.454 1.00 0.00 C ATOM 212 O GLN A 15 4.938 0.399 7.186 1.00 0.00 O ATOM 213 CB GLN A 15 5.588 3.589 7.600 1.00 0.00 C ATOM 214 CG GLN A 15 5.794 3.095 9.026 1.00 0.00 C ATOM 215 CD GLN A 15 6.510 4.107 9.897 1.00 0.00 C ATOM 216 OE1 GLN A 15 7.550 3.812 10.487 1.00 0.00 O ATOM 217 NE2 GLN A 15 5.956 5.311 9.984 1.00 0.00 N ATOM 0 H GLN A 15 3.455 4.482 6.860 1.00 0.00 H new ATOM 0 HA GLN A 15 5.082 2.500 5.809 1.00 0.00 H new ATOM 0 HB2 GLN A 15 6.554 3.614 7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.220 4.614 7.635 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.826 2.861 9.469 1.00 0.00 H new ATOM 0 HG3 GLN A 15 6.368 2.168 9.006 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.094 5.513 9.478 1.00 0.00 H new ATOM 0 HE22 GLN A 15 6.393 6.033 10.556 1.00 0.00 H new ATOM 226 N MET A 16 3.307 1.436 8.338 1.00 0.00 N ATOM 227 CA MET A 16 2.905 0.234 9.060 1.00 0.00 C ATOM 228 C MET A 16 2.366 -0.821 8.098 1.00 0.00 C ATOM 229 O MET A 16 2.928 -1.909 7.975 1.00 0.00 O ATOM 230 CB MET A 16 1.847 0.573 10.111 1.00 0.00 C ATOM 231 CG MET A 16 2.219 1.757 10.990 1.00 0.00 C ATOM 232 SD MET A 16 2.656 1.269 12.670 1.00 0.00 S ATOM 233 CE MET A 16 2.077 2.687 13.598 1.00 0.00 C ATOM 0 H MET A 16 2.767 2.269 8.572 1.00 0.00 H new ATOM 0 HA MET A 16 3.784 -0.171 9.561 1.00 0.00 H new ATOM 0 HB2 MET A 16 0.903 0.786 9.609 1.00 0.00 H new ATOM 0 HB3 MET A 16 1.682 -0.300 10.743 1.00 0.00 H new ATOM 0 HG2 MET A 16 3.058 2.288 10.541 1.00 0.00 H new ATOM 0 HG3 MET A 16 1.382 2.455 11.025 1.00 0.00 H new ATOM 0 HE1 MET A 16 2.277 2.534 14.658 1.00 0.00 H new ATOM 0 HE2 MET A 16 2.596 3.582 13.256 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.005 2.809 13.445 1.00 0.00 H new ATOM 243 N LEU A 17 1.278 -0.487 7.413 1.00 0.00 N ATOM 244 CA LEU A 17 0.668 -1.403 6.456 1.00 0.00 C ATOM 245 C LEU A 17 1.652 -1.755 5.346 1.00 0.00 C ATOM 246 O LEU A 17 1.603 -2.848 4.782 1.00 0.00 O ATOM 247 CB LEU A 17 -0.598 -0.785 5.857 1.00 0.00 C ATOM 248 CG LEU A 17 -1.450 -1.731 5.004 1.00 0.00 C ATOM 249 CD1 LEU A 17 -0.791 -1.979 3.655 1.00 0.00 C ATOM 250 CD2 LEU A 17 -1.685 -3.046 5.734 1.00 0.00 C ATOM 0 H LEU A 17 0.801 0.410 7.502 1.00 0.00 H new ATOM 0 HA LEU A 17 0.398 -2.317 6.985 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -1.214 -0.401 6.670 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.310 0.070 5.245 1.00 0.00 H new ATOM 0 HG LEU A 17 -2.416 -1.257 4.831 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.412 -2.653 3.065 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.678 -1.033 3.126 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.190 -2.429 3.807 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -2.292 -3.704 5.112 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.727 -3.524 5.941 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.204 -2.853 6.673 1.00 0.00 H new ATOM 262 N GLU A 18 2.550 -0.821 5.039 1.00 0.00 N ATOM 263 CA GLU A 18 3.554 -1.046 3.987 1.00 0.00 C ATOM 264 C GLU A 18 4.335 -2.325 4.271 1.00 0.00 C ATOM 265 O GLU A 18 4.512 -3.165 3.389 1.00 0.00 O ATOM 266 CB GLU A 18 4.536 0.135 3.844 1.00 0.00 C ATOM 267 CG GLU A 18 5.589 -0.086 2.770 1.00 0.00 C ATOM 268 CD GLU A 18 6.356 1.178 2.439 1.00 0.00 C ATOM 269 OE1 GLU A 18 5.727 2.255 2.370 1.00 0.00 O ATOM 270 OE2 GLU A 18 7.588 1.093 2.249 1.00 0.00 O ATOM 0 H GLU A 18 2.608 0.090 5.494 1.00 0.00 H new ATOM 0 HA GLU A 18 3.011 -1.139 3.046 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.974 1.040 3.612 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.032 0.304 4.800 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.287 -0.854 3.103 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.109 -0.462 1.867 1.00 0.00 H new ATOM 277 N LYS A 19 4.793 -2.468 5.510 1.00 0.00 N ATOM 278 CA LYS A 19 5.545 -3.649 5.910 1.00 0.00 C ATOM 279 C LYS A 19 4.664 -4.892 5.839 1.00 0.00 C ATOM 280 O LYS A 19 5.110 -5.959 5.418 1.00 0.00 O ATOM 281 CB LYS A 19 6.093 -3.477 7.327 1.00 0.00 C ATOM 282 CG LYS A 19 7.118 -4.531 7.715 1.00 0.00 C ATOM 283 CD LYS A 19 7.690 -4.269 9.099 1.00 0.00 C ATOM 284 CE LYS A 19 9.017 -3.531 9.023 1.00 0.00 C ATOM 285 NZ LYS A 19 10.004 -4.065 10.000 1.00 0.00 N ATOM 0 H LYS A 19 4.656 -1.782 6.252 1.00 0.00 H new ATOM 0 HA LYS A 19 6.381 -3.772 5.222 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.548 -2.490 7.414 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.265 -3.510 8.035 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.654 -5.517 7.693 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.925 -4.542 6.983 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.980 -3.683 9.682 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.828 -5.215 9.622 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.422 -3.615 8.015 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.854 -2.470 9.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.896 -3.536 9.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 9.629 -3.962 10.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.179 -5.071 9.802 1.00 0.00 H new ATOM 299 N ASN A 20 3.410 -4.743 6.252 1.00 0.00 N ATOM 300 CA ASN A 20 2.461 -5.853 6.233 1.00 0.00 C ATOM 301 C ASN A 20 2.272 -6.378 4.814 1.00 0.00 C ATOM 302 O ASN A 20 2.381 -7.579 4.569 1.00 0.00 O ATOM 303 CB ASN A 20 1.109 -5.422 6.810 1.00 0.00 C ATOM 304 CG ASN A 20 1.253 -4.576 8.062 1.00 0.00 C ATOM 305 OD1 ASN A 20 2.351 -4.414 8.593 1.00 0.00 O ATOM 306 ND2 ASN A 20 0.139 -4.033 8.540 1.00 0.00 N ATOM 0 H ASN A 20 3.026 -3.866 6.604 1.00 0.00 H new ATOM 0 HA ASN A 20 2.870 -6.651 6.853 1.00 0.00 H new ATOM 0 HB2 ASN A 20 0.559 -4.858 6.056 1.00 0.00 H new ATOM 0 HB3 ASN A 20 0.517 -6.308 7.040 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.173 -3.455 9.380 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -0.750 -4.194 8.067 1.00 0.00 H new ATOM 313 N ALA A 21 1.988 -5.472 3.883 1.00 0.00 N ATOM 314 CA ALA A 21 1.784 -5.849 2.488 1.00 0.00 C ATOM 315 C ALA A 21 2.970 -6.650 1.953 1.00 0.00 C ATOM 316 O ALA A 21 2.794 -7.585 1.174 1.00 0.00 O ATOM 317 CB ALA A 21 1.552 -4.613 1.629 1.00 0.00 C ATOM 0 H ALA A 21 1.894 -4.473 4.069 1.00 0.00 H new ATOM 0 HA ALA A 21 0.898 -6.482 2.440 1.00 0.00 H new ATOM 0 HB1 ALA A 21 1.402 -4.914 0.592 1.00 0.00 H new ATOM 0 HB2 ALA A 21 0.668 -4.083 1.985 1.00 0.00 H new ATOM 0 HB3 ALA A 21 2.420 -3.956 1.694 1.00 0.00 H new ATOM 323 N ARG A 22 4.176 -6.277 2.371 1.00 0.00 N ATOM 324 CA ARG A 22 5.385 -6.965 1.926 1.00 0.00 C ATOM 325 C ARG A 22 5.355 -8.437 2.313 1.00 0.00 C ATOM 326 O ARG A 22 5.588 -9.312 1.480 1.00 0.00 O ATOM 327 CB ARG A 22 6.629 -6.289 2.518 1.00 0.00 C ATOM 328 CG ARG A 22 7.429 -5.489 1.503 1.00 0.00 C ATOM 329 CD ARG A 22 8.922 -5.584 1.768 1.00 0.00 C ATOM 330 NE ARG A 22 9.428 -4.411 2.476 1.00 0.00 N ATOM 331 CZ ARG A 22 9.518 -3.198 1.934 1.00 0.00 C ATOM 332 NH1 ARG A 22 9.138 -2.996 0.679 1.00 0.00 N ATOM 333 NH2 ARG A 22 9.991 -2.185 2.648 1.00 0.00 N ATOM 0 H ARG A 22 4.343 -5.504 3.016 1.00 0.00 H new ATOM 0 HA ARG A 22 5.427 -6.901 0.839 1.00 0.00 H new ATOM 0 HB2 ARG A 22 6.322 -5.628 3.328 1.00 0.00 H new ATOM 0 HB3 ARG A 22 7.273 -7.052 2.956 1.00 0.00 H new ATOM 0 HG2 ARG A 22 7.213 -5.854 0.499 1.00 0.00 H new ATOM 0 HG3 ARG A 22 7.119 -4.445 1.536 1.00 0.00 H new ATOM 0 HD2 ARG A 22 9.130 -6.479 2.354 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.452 -5.693 0.822 1.00 0.00 H new ATOM 0 HE ARG A 22 9.730 -4.528 3.443 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.775 -3.772 0.125 1.00 0.00 H new ATOM 0 HH12 ARG A 22 9.209 -2.065 0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.286 -2.335 3.613 1.00 0.00 H new ATOM 0 HH22 ARG A 22 10.060 -1.256 2.232 1.00 0.00 H new ATOM 347 N GLU A 23 5.072 -8.708 3.580 1.00 0.00 N ATOM 348 CA GLU A 23 5.019 -10.080 4.064 1.00 0.00 C ATOM 349 C GLU A 23 3.787 -10.802 3.531 1.00 0.00 C ATOM 350 O GLU A 23 3.883 -11.922 3.040 1.00 0.00 O ATOM 351 CB GLU A 23 5.025 -10.109 5.595 1.00 0.00 C ATOM 352 CG GLU A 23 3.919 -9.280 6.229 1.00 0.00 C ATOM 353 CD GLU A 23 3.953 -9.328 7.744 1.00 0.00 C ATOM 354 OE1 GLU A 23 3.347 -10.254 8.322 1.00 0.00 O ATOM 355 OE2 GLU A 23 4.583 -8.438 8.352 1.00 0.00 O ATOM 0 H GLU A 23 4.877 -8.000 4.288 1.00 0.00 H new ATOM 0 HA GLU A 23 5.905 -10.599 3.698 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.929 -11.142 5.930 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.989 -9.746 5.952 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.011 -8.245 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.952 -9.642 5.879 1.00 0.00 H new ATOM 362 N ALA A 24 2.631 -10.157 3.633 1.00 0.00 N ATOM 363 CA ALA A 24 1.380 -10.747 3.168 1.00 0.00 C ATOM 364 C ALA A 24 1.412 -11.037 1.671 1.00 0.00 C ATOM 365 O ALA A 24 1.113 -12.150 1.244 1.00 0.00 O ATOM 366 CB ALA A 24 0.211 -9.835 3.505 1.00 0.00 C ATOM 0 H ALA A 24 2.533 -9.224 4.034 1.00 0.00 H new ATOM 0 HA ALA A 24 1.252 -11.699 3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -0.716 -10.287 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 24 0.159 -9.694 4.585 1.00 0.00 H new ATOM 0 HB3 ALA A 24 0.351 -8.869 3.020 1.00 0.00 H new ATOM 372 N VAL A 25 1.768 -10.034 0.876 1.00 0.00 N ATOM 373 CA VAL A 25 1.824 -10.199 -0.574 1.00 0.00 C ATOM 374 C VAL A 25 2.694 -11.404 -0.950 1.00 0.00 C ATOM 375 O VAL A 25 2.240 -12.315 -1.643 1.00 0.00 O ATOM 376 CB VAL A 25 2.338 -8.901 -1.272 1.00 0.00 C ATOM 377 CG1 VAL A 25 3.847 -8.748 -1.147 1.00 0.00 C ATOM 378 CG2 VAL A 25 1.916 -8.880 -2.732 1.00 0.00 C ATOM 0 H VAL A 25 2.021 -9.103 1.207 1.00 0.00 H new ATOM 0 HA VAL A 25 0.810 -10.386 -0.929 1.00 0.00 H new ATOM 0 HB VAL A 25 1.883 -8.052 -0.762 1.00 0.00 H new ATOM 0 HG11 VAL A 25 4.162 -7.832 -1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 25 4.122 -8.700 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 25 4.339 -9.602 -1.612 1.00 0.00 H new ATOM 0 HG21 VAL A 25 2.283 -7.968 -3.204 1.00 0.00 H new ATOM 0 HG22 VAL A 25 2.334 -9.747 -3.244 1.00 0.00 H new ATOM 0 HG23 VAL A 25 0.828 -8.910 -2.797 1.00 0.00 H new ATOM 388 N LYS A 26 3.934 -11.406 -0.479 1.00 0.00 N ATOM 389 CA LYS A 26 4.864 -12.497 -0.748 1.00 0.00 C ATOM 390 C LYS A 26 4.421 -13.789 -0.056 1.00 0.00 C ATOM 391 O LYS A 26 4.369 -14.849 -0.680 1.00 0.00 O ATOM 392 CB LYS A 26 6.267 -12.114 -0.271 1.00 0.00 C ATOM 393 CG LYS A 26 6.830 -10.877 -0.953 1.00 0.00 C ATOM 394 CD LYS A 26 8.307 -11.041 -1.277 1.00 0.00 C ATOM 395 CE LYS A 26 9.069 -9.741 -1.079 1.00 0.00 C ATOM 396 NZ LYS A 26 9.233 -8.993 -2.355 1.00 0.00 N ATOM 0 H LYS A 26 4.322 -10.658 0.096 1.00 0.00 H new ATOM 0 HA LYS A 26 4.876 -12.672 -1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 26 6.241 -11.944 0.805 1.00 0.00 H new ATOM 0 HB3 LYS A 26 6.941 -12.952 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.275 -10.682 -1.871 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.692 -10.010 -0.307 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.736 -11.816 -0.641 1.00 0.00 H new ATOM 0 HD3 LYS A 26 8.419 -11.376 -2.308 1.00 0.00 H new ATOM 0 HE2 LYS A 26 8.541 -9.117 -0.358 1.00 0.00 H new ATOM 0 HE3 LYS A 26 10.050 -9.956 -0.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.219 -7.971 -2.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.140 -9.250 -2.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.455 -9.234 -3.001 1.00 0.00 H new ATOM 410 N GLU A 27 4.114 -13.693 1.239 1.00 0.00 N ATOM 411 CA GLU A 27 3.690 -14.857 2.021 1.00 0.00 C ATOM 412 C GLU A 27 2.511 -15.567 1.365 1.00 0.00 C ATOM 413 O GLU A 27 2.522 -16.788 1.210 1.00 0.00 O ATOM 414 CB GLU A 27 3.315 -14.442 3.445 1.00 0.00 C ATOM 415 CG GLU A 27 2.898 -15.605 4.330 1.00 0.00 C ATOM 416 CD GLU A 27 1.842 -15.214 5.346 1.00 0.00 C ATOM 417 OE1 GLU A 27 0.641 -15.308 5.019 1.00 0.00 O ATOM 418 OE2 GLU A 27 2.217 -14.816 6.469 1.00 0.00 O ATOM 0 H GLU A 27 4.151 -12.822 1.769 1.00 0.00 H new ATOM 0 HA GLU A 27 4.531 -15.549 2.059 1.00 0.00 H new ATOM 0 HB2 GLU A 27 4.165 -13.936 3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.500 -13.720 3.401 1.00 0.00 H new ATOM 0 HG2 GLU A 27 2.515 -16.413 3.706 1.00 0.00 H new ATOM 0 HG3 GLU A 27 3.773 -15.992 4.852 1.00 0.00 H new ATOM 425 N LEU A 28 1.497 -14.799 0.975 1.00 0.00 N ATOM 426 CA LEU A 28 0.319 -15.371 0.328 1.00 0.00 C ATOM 427 C LEU A 28 0.727 -16.271 -0.836 1.00 0.00 C ATOM 428 O LEU A 28 -0.025 -17.155 -1.244 1.00 0.00 O ATOM 429 CB LEU A 28 -0.616 -14.261 -0.161 1.00 0.00 C ATOM 430 CG LEU A 28 -1.882 -14.068 0.676 1.00 0.00 C ATOM 431 CD1 LEU A 28 -2.740 -15.324 0.639 1.00 0.00 C ATOM 432 CD2 LEU A 28 -1.526 -13.707 2.112 1.00 0.00 C ATOM 0 H LEU A 28 1.466 -13.786 1.094 1.00 0.00 H new ATOM 0 HA LEU A 28 -0.213 -15.976 1.062 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.063 -13.322 -0.178 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.907 -14.478 -1.189 1.00 0.00 H new ATOM 0 HG LEU A 28 -2.455 -13.245 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -3.637 -15.170 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -3.025 -15.540 -0.391 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.174 -16.164 1.042 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -2.440 -13.574 2.691 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.931 -14.508 2.552 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.952 -12.781 2.123 1.00 0.00 H new ATOM 444 N GLY A 29 1.929 -16.041 -1.360 1.00 0.00 N ATOM 445 CA GLY A 29 2.425 -16.840 -2.464 1.00 0.00 C ATOM 446 C GLY A 29 2.578 -16.040 -3.740 1.00 0.00 C ATOM 447 O GLY A 29 2.364 -16.559 -4.834 1.00 0.00 O ATOM 0 H GLY A 29 2.568 -15.314 -1.038 1.00 0.00 H new ATOM 0 HA2 GLY A 29 3.389 -17.270 -2.192 1.00 0.00 H new ATOM 0 HA3 GLY A 29 1.743 -17.672 -2.641 1.00 0.00 H new ATOM 451 N ILE A 30 2.952 -14.771 -3.600 1.00 0.00 N ATOM 452 CA ILE A 30 3.135 -13.901 -4.755 1.00 0.00 C ATOM 453 C ILE A 30 3.967 -12.672 -4.405 1.00 0.00 C ATOM 454 O ILE A 30 3.524 -11.802 -3.656 1.00 0.00 O ATOM 455 CB ILE A 30 1.784 -13.432 -5.332 1.00 0.00 C ATOM 456 CG1 ILE A 30 0.852 -12.976 -4.208 1.00 0.00 C ATOM 457 CG2 ILE A 30 1.138 -14.541 -6.149 1.00 0.00 C ATOM 458 CD1 ILE A 30 -0.502 -12.506 -4.696 1.00 0.00 C ATOM 0 H ILE A 30 3.133 -14.325 -2.701 1.00 0.00 H new ATOM 0 HA ILE A 30 3.662 -14.494 -5.503 1.00 0.00 H new ATOM 0 HB ILE A 30 1.966 -12.584 -5.992 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.711 -13.800 -3.508 1.00 0.00 H new ATOM 0 HG13 ILE A 30 1.331 -12.167 -3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.186 -14.192 -6.548 1.00 0.00 H new ATOM 0 HG22 ILE A 30 1.797 -14.817 -6.972 1.00 0.00 H new ATOM 0 HG23 ILE A 30 0.968 -15.410 -5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.109 -12.198 -3.845 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.372 -11.662 -5.373 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -1.001 -13.319 -5.222 1.00 0.00 H new ATOM 470 N ASP A 31 5.165 -12.595 -4.972 1.00 0.00 N ATOM 471 CA ASP A 31 6.048 -11.465 -4.744 1.00 0.00 C ATOM 472 C ASP A 31 5.384 -10.192 -5.242 1.00 0.00 C ATOM 473 O ASP A 31 4.406 -10.252 -5.983 1.00 0.00 O ATOM 474 CB ASP A 31 7.383 -11.678 -5.459 1.00 0.00 C ATOM 475 CG ASP A 31 8.526 -10.949 -4.781 1.00 0.00 C ATOM 476 OD1 ASP A 31 8.487 -9.702 -4.729 1.00 0.00 O ATOM 477 OD2 ASP A 31 9.460 -11.626 -4.303 1.00 0.00 O ATOM 0 H ASP A 31 5.546 -13.307 -5.595 1.00 0.00 H new ATOM 0 HA ASP A 31 6.241 -11.375 -3.675 1.00 0.00 H new ATOM 0 HB2 ASP A 31 7.606 -12.744 -5.495 1.00 0.00 H new ATOM 0 HB3 ASP A 31 7.298 -11.335 -6.490 1.00 0.00 H new ATOM 482 N ALA A 32 5.900 -9.046 -4.828 1.00 0.00 N ATOM 483 CA ALA A 32 5.342 -7.779 -5.240 1.00 0.00 C ATOM 484 C ALA A 32 6.425 -6.726 -5.275 1.00 0.00 C ATOM 485 O ALA A 32 7.579 -6.996 -4.939 1.00 0.00 O ATOM 486 CB ALA A 32 4.223 -7.372 -4.299 1.00 0.00 C ATOM 0 H ALA A 32 6.705 -8.973 -4.206 1.00 0.00 H new ATOM 0 HA ALA A 32 4.926 -7.879 -6.243 1.00 0.00 H new ATOM 0 HB1 ALA A 32 3.809 -6.416 -4.618 1.00 0.00 H new ATOM 0 HB2 ALA A 32 3.440 -8.130 -4.316 1.00 0.00 H new ATOM 0 HB3 ALA A 32 4.615 -7.278 -3.286 1.00 0.00 H new ATOM 492 N GLU A 33 6.057 -5.524 -5.674 1.00 0.00 N ATOM 493 CA GLU A 33 7.014 -4.441 -5.737 1.00 0.00 C ATOM 494 C GLU A 33 6.477 -3.225 -5.000 1.00 0.00 C ATOM 495 O GLU A 33 5.467 -2.642 -5.395 1.00 0.00 O ATOM 496 CB GLU A 33 7.334 -4.082 -7.188 1.00 0.00 C ATOM 497 CG GLU A 33 6.101 -3.775 -8.022 1.00 0.00 C ATOM 498 CD GLU A 33 6.359 -3.885 -9.513 1.00 0.00 C ATOM 499 OE1 GLU A 33 7.520 -4.140 -9.899 1.00 0.00 O ATOM 500 OE2 GLU A 33 5.400 -3.718 -10.296 1.00 0.00 O ATOM 0 H GLU A 33 5.109 -5.275 -5.957 1.00 0.00 H new ATOM 0 HA GLU A 33 7.935 -4.768 -5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.997 -3.217 -7.202 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.877 -4.908 -7.647 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.300 -4.460 -7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.753 -2.768 -7.791 1.00 0.00 H new ATOM 507 N PHE A 34 7.142 -2.860 -3.916 1.00 0.00 N ATOM 508 CA PHE A 34 6.714 -1.731 -3.109 1.00 0.00 C ATOM 509 C PHE A 34 7.564 -0.504 -3.386 1.00 0.00 C ATOM 510 O PHE A 34 8.737 -0.444 -3.017 1.00 0.00 O ATOM 511 CB PHE A 34 6.774 -2.093 -1.626 1.00 0.00 C ATOM 512 CG PHE A 34 5.932 -3.288 -1.265 1.00 0.00 C ATOM 513 CD1 PHE A 34 5.978 -4.451 -2.023 1.00 0.00 C ATOM 514 CD2 PHE A 34 5.089 -3.250 -0.168 1.00 0.00 C ATOM 515 CE1 PHE A 34 5.206 -5.539 -1.699 1.00 0.00 C ATOM 516 CE2 PHE A 34 4.314 -4.341 0.158 1.00 0.00 C ATOM 517 CZ PHE A 34 4.371 -5.485 -0.610 1.00 0.00 C ATOM 0 H PHE A 34 7.981 -3.330 -3.575 1.00 0.00 H new ATOM 0 HA PHE A 34 5.684 -1.494 -3.377 1.00 0.00 H new ATOM 0 HB2 PHE A 34 7.810 -2.292 -1.350 1.00 0.00 H new ATOM 0 HB3 PHE A 34 6.446 -1.236 -1.037 1.00 0.00 H new ATOM 0 HD1 PHE A 34 6.632 -4.500 -2.881 1.00 0.00 H new ATOM 0 HD2 PHE A 34 5.038 -2.357 0.438 1.00 0.00 H new ATOM 0 HE1 PHE A 34 5.255 -6.435 -2.299 1.00 0.00 H new ATOM 0 HE2 PHE A 34 3.660 -4.300 1.017 1.00 0.00 H new ATOM 0 HZ PHE A 34 3.759 -6.338 -0.355 1.00 0.00 H new ATOM 527 N GLU A 35 6.958 0.475 -4.041 1.00 0.00 N ATOM 528 CA GLU A 35 7.647 1.713 -4.373 1.00 0.00 C ATOM 529 C GLU A 35 7.009 2.901 -3.664 1.00 0.00 C ATOM 530 O GLU A 35 5.854 3.247 -3.922 1.00 0.00 O ATOM 531 CB GLU A 35 7.638 1.938 -5.887 1.00 0.00 C ATOM 532 CG GLU A 35 9.017 2.203 -6.469 1.00 0.00 C ATOM 533 CD GLU A 35 9.459 3.642 -6.288 1.00 0.00 C ATOM 534 OE1 GLU A 35 8.590 4.539 -6.315 1.00 0.00 O ATOM 535 OE2 GLU A 35 10.675 3.872 -6.117 1.00 0.00 O ATOM 0 H GLU A 35 5.988 0.436 -4.354 1.00 0.00 H new ATOM 0 HA GLU A 35 8.679 1.626 -4.033 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.209 1.062 -6.374 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.987 2.781 -6.117 1.00 0.00 H new ATOM 0 HG2 GLU A 35 9.741 1.542 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 35 9.012 1.959 -7.531 1.00 0.00 H new ATOM 542 N LYS A 36 7.770 3.529 -2.777 1.00 0.00 N ATOM 543 CA LYS A 36 7.283 4.687 -2.043 1.00 0.00 C ATOM 544 C LYS A 36 7.605 5.962 -2.810 1.00 0.00 C ATOM 545 O LYS A 36 8.679 6.087 -3.399 1.00 0.00 O ATOM 546 CB LYS A 36 7.903 4.738 -0.646 1.00 0.00 C ATOM 547 CG LYS A 36 7.832 3.416 0.100 1.00 0.00 C ATOM 548 CD LYS A 36 8.954 3.291 1.119 1.00 0.00 C ATOM 549 CE LYS A 36 8.544 3.854 2.471 1.00 0.00 C ATOM 550 NZ LYS A 36 9.669 3.832 3.445 1.00 0.00 N ATOM 0 H LYS A 36 8.726 3.255 -2.549 1.00 0.00 H new ATOM 0 HA LYS A 36 6.202 4.602 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 36 8.946 5.042 -0.732 1.00 0.00 H new ATOM 0 HB3 LYS A 36 7.395 5.504 -0.060 1.00 0.00 H new ATOM 0 HG2 LYS A 36 6.870 3.333 0.605 1.00 0.00 H new ATOM 0 HG3 LYS A 36 7.891 2.592 -0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 36 9.232 2.243 1.229 1.00 0.00 H new ATOM 0 HD3 LYS A 36 9.837 3.818 0.757 1.00 0.00 H new ATOM 0 HE2 LYS A 36 8.192 4.878 2.346 1.00 0.00 H new ATOM 0 HE3 LYS A 36 7.709 3.276 2.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 9.349 4.224 4.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 9.989 2.852 3.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 10.456 4.405 3.079 1.00 0.00 H new ATOM 564 N ILE A 37 6.670 6.903 -2.812 1.00 0.00 N ATOM 565 CA ILE A 37 6.863 8.161 -3.521 1.00 0.00 C ATOM 566 C ILE A 37 6.983 9.320 -2.531 1.00 0.00 C ATOM 567 O ILE A 37 6.886 9.122 -1.320 1.00 0.00 O ATOM 568 CB ILE A 37 5.703 8.422 -4.526 1.00 0.00 C ATOM 569 CG1 ILE A 37 4.613 9.285 -3.901 1.00 0.00 C ATOM 570 CG2 ILE A 37 5.106 7.107 -5.011 1.00 0.00 C ATOM 571 CD1 ILE A 37 4.050 8.692 -2.638 1.00 0.00 C ATOM 0 H ILE A 37 5.774 6.820 -2.333 1.00 0.00 H new ATOM 0 HA ILE A 37 7.791 8.089 -4.088 1.00 0.00 H new ATOM 0 HB ILE A 37 6.121 8.959 -5.378 1.00 0.00 H new ATOM 0 HG12 ILE A 37 5.019 10.273 -3.683 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.808 9.423 -4.622 1.00 0.00 H new ATOM 0 HG21 ILE A 37 4.297 7.311 -5.712 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.877 6.519 -5.508 1.00 0.00 H new ATOM 0 HG23 ILE A 37 4.716 6.549 -4.160 1.00 0.00 H new ATOM 0 HD11 ILE A 37 3.279 9.351 -2.239 1.00 0.00 H new ATOM 0 HD12 ILE A 37 3.616 7.716 -2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.847 8.579 -1.903 1.00 0.00 H new ATOM 583 N LYS A 38 7.180 10.525 -3.047 1.00 0.00 N ATOM 584 CA LYS A 38 7.293 11.703 -2.196 1.00 0.00 C ATOM 585 C LYS A 38 6.955 12.964 -2.984 1.00 0.00 C ATOM 586 O LYS A 38 7.838 13.733 -3.364 1.00 0.00 O ATOM 587 CB LYS A 38 8.700 11.795 -1.599 1.00 0.00 C ATOM 588 CG LYS A 38 8.995 13.121 -0.913 1.00 0.00 C ATOM 589 CD LYS A 38 10.005 13.944 -1.698 1.00 0.00 C ATOM 590 CE LYS A 38 9.664 15.425 -1.659 1.00 0.00 C ATOM 591 NZ LYS A 38 10.160 16.142 -2.867 1.00 0.00 N ATOM 0 H LYS A 38 7.265 10.713 -4.046 1.00 0.00 H new ATOM 0 HA LYS A 38 6.579 11.612 -1.377 1.00 0.00 H new ATOM 0 HB2 LYS A 38 8.832 10.988 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 38 9.431 11.637 -2.392 1.00 0.00 H new ATOM 0 HG2 LYS A 38 8.071 13.688 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 38 9.377 12.935 0.091 1.00 0.00 H new ATOM 0 HD2 LYS A 38 11.002 13.788 -1.287 1.00 0.00 H new ATOM 0 HD3 LYS A 38 10.030 13.602 -2.733 1.00 0.00 H new ATOM 0 HE2 LYS A 38 8.583 15.547 -1.583 1.00 0.00 H new ATOM 0 HE3 LYS A 38 10.099 15.874 -0.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 9.907 17.149 -2.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 11.194 16.048 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 9.726 15.731 -3.718 1.00 0.00 H new ATOM 605 N GLU A 39 5.660 13.155 -3.219 1.00 0.00 N ATOM 606 CA GLU A 39 5.150 14.312 -3.963 1.00 0.00 C ATOM 607 C GLU A 39 3.745 14.023 -4.481 1.00 0.00 C ATOM 608 O GLU A 39 3.520 12.999 -5.128 1.00 0.00 O ATOM 609 CB GLU A 39 6.072 14.661 -5.138 1.00 0.00 C ATOM 610 CG GLU A 39 6.945 15.880 -4.885 1.00 0.00 C ATOM 611 CD GLU A 39 6.235 17.181 -5.204 1.00 0.00 C ATOM 612 OE1 GLU A 39 4.997 17.235 -5.050 1.00 0.00 O ATOM 613 OE2 GLU A 39 6.917 18.145 -5.608 1.00 0.00 O ATOM 0 H GLU A 39 4.932 12.515 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 39 5.119 15.164 -3.284 1.00 0.00 H new ATOM 0 HB2 GLU A 39 6.711 13.805 -5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 39 5.465 14.837 -6.026 1.00 0.00 H new ATOM 0 HG2 GLU A 39 7.258 15.888 -3.841 1.00 0.00 H new ATOM 0 HG3 GLU A 39 7.850 15.806 -5.489 1.00 0.00 H new ATOM 620 N MET A 40 2.799 14.921 -4.203 1.00 0.00 N ATOM 621 CA MET A 40 1.422 14.734 -4.651 1.00 0.00 C ATOM 622 C MET A 40 1.372 14.462 -6.147 1.00 0.00 C ATOM 623 O MET A 40 0.464 13.787 -6.626 1.00 0.00 O ATOM 624 CB MET A 40 0.573 15.959 -4.307 1.00 0.00 C ATOM 625 CG MET A 40 -0.169 15.832 -2.986 1.00 0.00 C ATOM 626 SD MET A 40 -1.731 16.734 -2.980 1.00 0.00 S ATOM 627 CE MET A 40 -2.889 15.405 -2.659 1.00 0.00 C ATOM 0 H MET A 40 2.961 15.778 -3.674 1.00 0.00 H new ATOM 0 HA MET A 40 1.012 13.869 -4.130 1.00 0.00 H new ATOM 0 HB2 MET A 40 1.216 16.838 -4.270 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.150 16.126 -5.106 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.361 14.779 -2.781 1.00 0.00 H new ATOM 0 HG3 MET A 40 0.464 16.204 -2.180 1.00 0.00 H new ATOM 0 HE1 MET A 40 -3.902 15.805 -2.626 1.00 0.00 H new ATOM 0 HE2 MET A 40 -2.818 14.661 -3.453 1.00 0.00 H new ATOM 0 HE3 MET A 40 -2.652 14.939 -1.703 1.00 0.00 H new ATOM 637 N ASP A 41 2.361 14.964 -6.881 1.00 0.00 N ATOM 638 CA ASP A 41 2.417 14.730 -8.318 1.00 0.00 C ATOM 639 C ASP A 41 2.290 13.236 -8.577 1.00 0.00 C ATOM 640 O ASP A 41 1.606 12.803 -9.504 1.00 0.00 O ATOM 641 CB ASP A 41 3.727 15.264 -8.902 1.00 0.00 C ATOM 642 CG ASP A 41 3.566 16.636 -9.528 1.00 0.00 C ATOM 643 OD1 ASP A 41 2.631 17.362 -9.131 1.00 0.00 O ATOM 644 OD2 ASP A 41 4.374 16.983 -10.414 1.00 0.00 O ATOM 0 H ASP A 41 3.125 15.528 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 41 1.596 15.258 -8.804 1.00 0.00 H new ATOM 0 HB2 ASP A 41 4.479 15.313 -8.114 1.00 0.00 H new ATOM 0 HB3 ASP A 41 4.097 14.566 -9.653 1.00 0.00 H new ATOM 649 N GLN A 42 2.936 12.458 -7.715 1.00 0.00 N ATOM 650 CA GLN A 42 2.888 11.007 -7.795 1.00 0.00 C ATOM 651 C GLN A 42 1.670 10.482 -7.040 1.00 0.00 C ATOM 652 O GLN A 42 1.026 9.524 -7.467 1.00 0.00 O ATOM 653 CB GLN A 42 4.167 10.397 -7.219 1.00 0.00 C ATOM 654 CG GLN A 42 5.303 10.307 -8.224 1.00 0.00 C ATOM 655 CD GLN A 42 5.475 8.910 -8.788 1.00 0.00 C ATOM 656 OE1 GLN A 42 4.534 8.116 -8.806 1.00 0.00 O ATOM 657 NE2 GLN A 42 6.680 8.604 -9.251 1.00 0.00 N ATOM 0 H GLN A 42 3.504 12.815 -6.946 1.00 0.00 H new ATOM 0 HA GLN A 42 2.808 10.718 -8.843 1.00 0.00 H new ATOM 0 HB2 GLN A 42 4.493 10.994 -6.367 1.00 0.00 H new ATOM 0 HB3 GLN A 42 3.946 9.398 -6.842 1.00 0.00 H new ATOM 0 HG2 GLN A 42 5.116 11.004 -9.041 1.00 0.00 H new ATOM 0 HG3 GLN A 42 6.232 10.618 -7.746 1.00 0.00 H new ATOM 0 HE21 GLN A 42 7.430 9.294 -9.216 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.856 7.679 -9.642 1.00 0.00 H new ATOM 666 N ILE A 43 1.360 11.123 -5.910 1.00 0.00 N ATOM 667 CA ILE A 43 0.221 10.723 -5.092 1.00 0.00 C ATOM 668 C ILE A 43 -1.076 10.795 -5.886 1.00 0.00 C ATOM 669 O ILE A 43 -1.808 9.814 -6.001 1.00 0.00 O ATOM 670 CB ILE A 43 0.085 11.586 -3.818 1.00 0.00 C ATOM 671 CG1 ILE A 43 1.442 11.762 -3.132 1.00 0.00 C ATOM 672 CG2 ILE A 43 -0.902 10.946 -2.856 1.00 0.00 C ATOM 673 CD1 ILE A 43 1.384 12.623 -1.888 1.00 0.00 C ATOM 0 H ILE A 43 1.883 11.919 -5.545 1.00 0.00 H new ATOM 0 HA ILE A 43 0.407 9.692 -4.790 1.00 0.00 H new ATOM 0 HB ILE A 43 -0.285 12.569 -4.110 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.836 10.781 -2.867 1.00 0.00 H new ATOM 0 HG13 ILE A 43 2.143 12.206 -3.839 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.990 11.563 -1.961 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.877 10.863 -3.337 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.548 9.953 -2.579 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.381 12.704 -1.455 1.00 0.00 H new ATOM 0 HD12 ILE A 43 1.020 13.617 -2.150 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.709 12.169 -1.162 1.00 0.00 H new ATOM 685 N LEU A 44 -1.340 11.962 -6.442 1.00 0.00 N ATOM 686 CA LEU A 44 -2.540 12.185 -7.238 1.00 0.00 C ATOM 687 C LEU A 44 -2.558 11.265 -8.457 1.00 0.00 C ATOM 688 O LEU A 44 -3.599 10.709 -8.810 1.00 0.00 O ATOM 689 CB LEU A 44 -2.637 13.664 -7.652 1.00 0.00 C ATOM 690 CG LEU A 44 -2.345 13.983 -9.124 1.00 0.00 C ATOM 691 CD1 LEU A 44 -2.984 15.306 -9.517 1.00 0.00 C ATOM 692 CD2 LEU A 44 -0.847 14.017 -9.379 1.00 0.00 C ATOM 0 H LEU A 44 -0.736 12.779 -6.358 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.413 11.945 -6.631 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.641 14.019 -7.419 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.945 14.237 -7.035 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.778 13.194 -9.739 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -2.768 15.518 -10.564 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -4.063 15.245 -9.375 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.580 16.104 -8.894 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.662 14.245 -10.429 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -0.389 14.784 -8.755 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -0.415 13.046 -9.137 1.00 0.00 H new ATOM 704 N GLU A 45 -1.400 11.101 -9.090 1.00 0.00 N ATOM 705 CA GLU A 45 -1.286 10.238 -10.262 1.00 0.00 C ATOM 706 C GLU A 45 -1.837 8.851 -9.955 1.00 0.00 C ATOM 707 O GLU A 45 -2.295 8.139 -10.849 1.00 0.00 O ATOM 708 CB GLU A 45 0.172 10.133 -10.704 1.00 0.00 C ATOM 709 CG GLU A 45 0.340 9.739 -12.163 1.00 0.00 C ATOM 710 CD GLU A 45 1.788 9.769 -12.611 1.00 0.00 C ATOM 711 OE1 GLU A 45 2.589 10.493 -11.984 1.00 0.00 O ATOM 712 OE2 GLU A 45 2.120 9.067 -13.589 1.00 0.00 O ATOM 0 H GLU A 45 -0.529 11.553 -8.812 1.00 0.00 H new ATOM 0 HA GLU A 45 -1.869 10.677 -11.071 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.663 11.091 -10.536 1.00 0.00 H new ATOM 0 HB3 GLU A 45 0.681 9.400 -10.078 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -0.063 8.737 -12.314 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.244 10.415 -12.788 1.00 0.00 H new ATOM 719 N ALA A 46 -1.802 8.485 -8.678 1.00 0.00 N ATOM 720 CA ALA A 46 -2.311 7.200 -8.238 1.00 0.00 C ATOM 721 C ALA A 46 -3.823 7.184 -8.345 1.00 0.00 C ATOM 722 O ALA A 46 -4.426 6.169 -8.689 1.00 0.00 O ATOM 723 CB ALA A 46 -1.879 6.924 -6.804 1.00 0.00 C ATOM 0 H ALA A 46 -1.424 9.066 -7.930 1.00 0.00 H new ATOM 0 HA ALA A 46 -1.902 6.418 -8.878 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.268 5.956 -6.487 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.791 6.914 -6.747 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -2.269 7.704 -6.150 1.00 0.00 H new ATOM 729 N GLY A 47 -4.430 8.330 -8.052 1.00 0.00 N ATOM 730 CA GLY A 47 -5.869 8.442 -8.124 1.00 0.00 C ATOM 731 C GLY A 47 -6.507 8.727 -6.778 1.00 0.00 C ATOM 732 O GLY A 47 -7.681 9.091 -6.710 1.00 0.00 O ATOM 0 H GLY A 47 -3.947 9.182 -7.766 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.132 9.238 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.281 7.517 -8.527 1.00 0.00 H new ATOM 736 N LEU A 48 -5.740 8.565 -5.701 1.00 0.00 N ATOM 737 CA LEU A 48 -6.260 8.815 -4.361 1.00 0.00 C ATOM 738 C LEU A 48 -6.305 10.313 -4.058 1.00 0.00 C ATOM 739 O LEU A 48 -5.670 11.114 -4.745 1.00 0.00 O ATOM 740 CB LEU A 48 -5.440 8.059 -3.294 1.00 0.00 C ATOM 741 CG LEU A 48 -3.937 8.394 -3.164 1.00 0.00 C ATOM 742 CD1 LEU A 48 -3.080 7.223 -3.618 1.00 0.00 C ATOM 743 CD2 LEU A 48 -3.551 9.653 -3.925 1.00 0.00 C ATOM 0 H LEU A 48 -4.766 8.265 -5.730 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.281 8.436 -4.326 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -5.907 8.237 -2.325 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.528 6.992 -3.499 1.00 0.00 H new ATOM 0 HG LEU A 48 -3.751 8.585 -2.107 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.026 7.483 -3.517 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.299 6.351 -3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.299 6.995 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -2.485 9.842 -3.799 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.774 9.521 -4.984 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.117 10.500 -3.538 1.00 0.00 H new ATOM 755 N THR A 49 -7.068 10.688 -3.036 1.00 0.00 N ATOM 756 CA THR A 49 -7.198 12.093 -2.656 1.00 0.00 C ATOM 757 C THR A 49 -6.630 12.355 -1.266 1.00 0.00 C ATOM 758 O THR A 49 -6.349 13.498 -0.903 1.00 0.00 O ATOM 759 CB THR A 49 -8.667 12.553 -2.693 1.00 0.00 C ATOM 760 OG1 THR A 49 -9.434 11.676 -3.525 1.00 0.00 O ATOM 761 CG2 THR A 49 -8.775 13.978 -3.214 1.00 0.00 C ATOM 0 H THR A 49 -7.605 10.042 -2.457 1.00 0.00 H new ATOM 0 HA THR A 49 -6.625 12.664 -3.387 1.00 0.00 H new ATOM 0 HB THR A 49 -9.059 12.524 -1.676 1.00 0.00 H new ATOM 0 HG1 THR A 49 -10.367 11.974 -3.542 1.00 0.00 H new ATOM 0 HG21 THR A 49 -9.822 14.281 -3.231 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.214 14.647 -2.562 1.00 0.00 H new ATOM 0 HG23 THR A 49 -8.366 14.028 -4.223 1.00 0.00 H new ATOM 769 N ALA A 50 -6.463 11.292 -0.495 1.00 0.00 N ATOM 770 CA ALA A 50 -5.926 11.398 0.854 1.00 0.00 C ATOM 771 C ALA A 50 -4.405 11.335 0.833 1.00 0.00 C ATOM 772 O ALA A 50 -3.802 11.143 -0.224 1.00 0.00 O ATOM 773 CB ALA A 50 -6.496 10.295 1.731 1.00 0.00 C ATOM 0 H ALA A 50 -6.693 10.341 -0.782 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.219 12.362 1.271 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.088 10.383 2.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.582 10.386 1.770 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.228 9.324 1.315 1.00 0.00 H new ATOM 779 N LEU A 51 -3.782 11.511 1.993 1.00 0.00 N ATOM 780 CA LEU A 51 -2.328 11.482 2.070 1.00 0.00 C ATOM 781 C LEU A 51 -1.785 10.055 2.079 1.00 0.00 C ATOM 782 O LEU A 51 -1.082 9.654 1.151 1.00 0.00 O ATOM 783 CB LEU A 51 -1.831 12.262 3.290 1.00 0.00 C ATOM 784 CG LEU A 51 -1.085 13.558 2.967 1.00 0.00 C ATOM 785 CD1 LEU A 51 -0.834 14.359 4.234 1.00 0.00 C ATOM 786 CD2 LEU A 51 0.225 13.253 2.257 1.00 0.00 C ATOM 0 H LEU A 51 -4.255 11.673 2.882 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.947 11.967 1.172 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.686 12.500 3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.173 11.617 3.872 1.00 0.00 H new ATOM 0 HG LEU A 51 -1.706 14.158 2.301 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -0.302 15.277 3.985 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.786 14.607 4.702 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.233 13.768 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.744 14.185 2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.851 12.634 2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.020 12.721 1.328 1.00 0.00 H new ATOM 798 N PRO A 52 -2.099 9.258 3.113 1.00 0.00 N ATOM 799 CA PRO A 52 -1.630 7.874 3.204 1.00 0.00 C ATOM 800 C PRO A 52 -2.303 6.976 2.172 1.00 0.00 C ATOM 801 O PRO A 52 -2.959 5.996 2.521 1.00 0.00 O ATOM 802 CB PRO A 52 -2.018 7.439 4.628 1.00 0.00 C ATOM 803 CG PRO A 52 -2.446 8.683 5.330 1.00 0.00 C ATOM 804 CD PRO A 52 -2.931 9.621 4.264 1.00 0.00 C ATOM 0 HA PRO A 52 -0.561 7.796 3.007 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.824 6.705 4.607 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -1.175 6.973 5.138 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.236 8.471 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -1.617 9.121 5.886 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -3.992 9.484 4.056 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -2.794 10.664 4.550 1.00 0.00 H new ATOM 812 N GLY A 53 -2.141 7.318 0.897 1.00 0.00 N ATOM 813 CA GLY A 53 -2.744 6.530 -0.159 1.00 0.00 C ATOM 814 C GLY A 53 -1.957 5.271 -0.464 1.00 0.00 C ATOM 815 O GLY A 53 -0.733 5.251 -0.343 1.00 0.00 O ATOM 0 H GLY A 53 -1.604 8.125 0.579 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -3.760 6.259 0.129 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -2.819 7.135 -1.062 1.00 0.00 H new ATOM 819 N LEU A 54 -2.663 4.218 -0.861 1.00 0.00 N ATOM 820 CA LEU A 54 -2.025 2.951 -1.184 1.00 0.00 C ATOM 821 C LEU A 54 -2.675 2.327 -2.410 1.00 0.00 C ATOM 822 O LEU A 54 -3.773 1.778 -2.324 1.00 0.00 O ATOM 823 CB LEU A 54 -2.123 1.987 0.002 1.00 0.00 C ATOM 824 CG LEU A 54 -1.007 0.945 0.090 1.00 0.00 C ATOM 825 CD1 LEU A 54 -0.944 0.123 -1.187 1.00 0.00 C ATOM 826 CD2 LEU A 54 0.329 1.617 0.364 1.00 0.00 C ATOM 0 H LEU A 54 -3.678 4.219 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 54 -0.974 3.142 -1.400 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.127 2.569 0.923 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.080 1.467 -0.051 1.00 0.00 H new ATOM 0 HG LEU A 54 -1.227 0.272 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -0.144 -0.613 -1.107 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -1.895 -0.389 -1.338 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.748 0.781 -2.034 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.111 0.860 0.423 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.558 2.313 -0.443 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.277 2.160 1.308 1.00 0.00 H new ATOM 838 N ALA A 55 -1.999 2.410 -3.551 1.00 0.00 N ATOM 839 CA ALA A 55 -2.542 1.844 -4.778 1.00 0.00 C ATOM 840 C ALA A 55 -1.943 0.470 -5.057 1.00 0.00 C ATOM 841 O ALA A 55 -0.723 0.315 -5.115 1.00 0.00 O ATOM 842 CB ALA A 55 -2.301 2.780 -5.953 1.00 0.00 C ATOM 0 H ALA A 55 -1.088 2.857 -3.651 1.00 0.00 H new ATOM 0 HA ALA A 55 -3.617 1.725 -4.647 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.714 2.339 -6.860 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -2.786 3.737 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -1.230 2.936 -6.080 1.00 0.00 H new ATOM 848 N VAL A 56 -2.808 -0.528 -5.217 1.00 0.00 N ATOM 849 CA VAL A 56 -2.359 -1.892 -5.473 1.00 0.00 C ATOM 850 C VAL A 56 -2.892 -2.435 -6.788 1.00 0.00 C ATOM 851 O VAL A 56 -4.051 -2.224 -7.141 1.00 0.00 O ATOM 852 CB VAL A 56 -2.772 -2.849 -4.344 1.00 0.00 C ATOM 853 CG1 VAL A 56 -1.679 -2.911 -3.298 1.00 0.00 C ATOM 854 CG2 VAL A 56 -4.099 -2.427 -3.727 1.00 0.00 C ATOM 0 H VAL A 56 -3.821 -0.418 -5.174 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.272 -1.839 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 56 -2.911 -3.846 -4.763 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.977 -3.591 -2.500 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -0.757 -3.271 -3.756 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -1.514 -1.916 -2.884 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.367 -3.122 -2.931 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -4.006 -1.422 -3.316 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -4.875 -2.435 -4.492 1.00 0.00 H new ATOM 864 N ASP A 57 -2.028 -3.151 -7.499 1.00 0.00 N ATOM 865 CA ASP A 57 -2.384 -3.754 -8.784 1.00 0.00 C ATOM 866 C ASP A 57 -3.190 -2.791 -9.656 1.00 0.00 C ATOM 867 O ASP A 57 -3.994 -3.215 -10.486 1.00 0.00 O ATOM 868 CB ASP A 57 -3.170 -5.048 -8.563 1.00 0.00 C ATOM 869 CG ASP A 57 -2.310 -6.282 -8.749 1.00 0.00 C ATOM 870 OD1 ASP A 57 -1.074 -6.172 -8.601 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.871 -7.358 -9.043 1.00 0.00 O ATOM 0 H ASP A 57 -1.068 -3.331 -7.206 1.00 0.00 H new ATOM 0 HA ASP A 57 -1.457 -3.982 -9.310 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.589 -5.048 -7.557 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -4.009 -5.084 -9.258 1.00 0.00 H new ATOM 876 N GLY A 58 -2.968 -1.494 -9.465 1.00 0.00 N ATOM 877 CA GLY A 58 -3.682 -0.497 -10.244 1.00 0.00 C ATOM 878 C GLY A 58 -5.089 -0.254 -9.735 1.00 0.00 C ATOM 879 O GLY A 58 -5.998 0.034 -10.513 1.00 0.00 O ATOM 0 H GLY A 58 -2.308 -1.116 -8.786 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.126 0.440 -10.224 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -3.727 -0.819 -11.284 1.00 0.00 H new ATOM 883 N GLU A 59 -5.267 -0.371 -8.425 1.00 0.00 N ATOM 884 CA GLU A 59 -6.568 -0.162 -7.804 1.00 0.00 C ATOM 885 C GLU A 59 -6.403 0.404 -6.399 1.00 0.00 C ATOM 886 O GLU A 59 -6.143 -0.332 -5.447 1.00 0.00 O ATOM 887 CB GLU A 59 -7.351 -1.475 -7.752 1.00 0.00 C ATOM 888 CG GLU A 59 -8.279 -1.677 -8.939 1.00 0.00 C ATOM 889 CD GLU A 59 -7.838 -2.815 -9.839 1.00 0.00 C ATOM 890 OE1 GLU A 59 -7.753 -3.961 -9.348 1.00 0.00 O ATOM 891 OE2 GLU A 59 -7.577 -2.561 -11.034 1.00 0.00 O ATOM 0 H GLU A 59 -4.523 -0.611 -7.770 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.125 0.555 -8.407 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.648 -2.306 -7.706 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -7.938 -1.502 -6.834 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -9.288 -1.876 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -8.325 -0.756 -9.520 1.00 0.00 H new ATOM 898 N LEU A 60 -6.549 1.718 -6.279 1.00 0.00 N ATOM 899 CA LEU A 60 -6.408 2.388 -4.991 1.00 0.00 C ATOM 900 C LEU A 60 -7.574 2.046 -4.072 1.00 0.00 C ATOM 901 O LEU A 60 -8.733 2.078 -4.485 1.00 0.00 O ATOM 902 CB LEU A 60 -6.320 3.904 -5.181 1.00 0.00 C ATOM 903 CG LEU A 60 -5.615 4.363 -6.463 1.00 0.00 C ATOM 904 CD1 LEU A 60 -6.571 5.148 -7.345 1.00 0.00 C ATOM 905 CD2 LEU A 60 -4.385 5.194 -6.130 1.00 0.00 C ATOM 0 H LEU A 60 -6.765 2.341 -7.057 1.00 0.00 H new ATOM 0 HA LEU A 60 -5.486 2.036 -4.528 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -7.330 4.314 -5.175 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.797 4.331 -4.325 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.290 3.479 -7.012 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.053 5.466 -8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.419 4.518 -7.614 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.928 6.025 -6.805 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.899 5.510 -7.053 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.683 6.072 -5.558 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.690 4.596 -5.540 1.00 0.00 H new ATOM 917 N LYS A 61 -7.257 1.714 -2.826 1.00 0.00 N ATOM 918 CA LYS A 61 -8.281 1.361 -1.849 1.00 0.00 C ATOM 919 C LYS A 61 -7.955 1.915 -0.463 1.00 0.00 C ATOM 920 O LYS A 61 -8.644 1.607 0.509 1.00 0.00 O ATOM 921 CB LYS A 61 -8.434 -0.160 -1.773 1.00 0.00 C ATOM 922 CG LYS A 61 -8.806 -0.803 -3.100 1.00 0.00 C ATOM 923 CD LYS A 61 -10.070 -1.640 -2.981 1.00 0.00 C ATOM 924 CE LYS A 61 -9.881 -2.806 -2.024 1.00 0.00 C ATOM 925 NZ LYS A 61 -10.945 -2.848 -0.982 1.00 0.00 N ATOM 0 H LYS A 61 -6.302 1.682 -2.469 1.00 0.00 H new ATOM 0 HA LYS A 61 -9.219 1.808 -2.179 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.499 -0.593 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -9.198 -0.403 -1.034 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.952 -0.028 -3.852 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.984 -1.431 -3.444 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -10.891 -1.013 -2.634 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -10.351 -2.017 -3.964 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -9.885 -3.740 -2.585 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.906 -2.727 -1.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.780 -3.657 -0.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.925 -1.967 -0.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -11.874 -2.949 -1.438 1.00 0.00 H new ATOM 939 N ILE A 62 -6.904 2.727 -0.370 1.00 0.00 N ATOM 940 CA ILE A 62 -6.507 3.303 0.909 1.00 0.00 C ATOM 941 C ILE A 62 -6.362 4.822 0.803 1.00 0.00 C ATOM 942 O ILE A 62 -5.641 5.325 -0.058 1.00 0.00 O ATOM 943 CB ILE A 62 -5.185 2.664 1.407 1.00 0.00 C ATOM 944 CG1 ILE A 62 -5.482 1.572 2.436 1.00 0.00 C ATOM 945 CG2 ILE A 62 -4.242 3.706 1.994 1.00 0.00 C ATOM 946 CD1 ILE A 62 -6.453 0.520 1.944 1.00 0.00 C ATOM 0 H ILE A 62 -6.317 2.998 -1.159 1.00 0.00 H new ATOM 0 HA ILE A 62 -7.291 3.087 1.635 1.00 0.00 H new ATOM 0 HB ILE A 62 -4.686 2.218 0.547 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -4.547 1.087 2.718 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -5.886 2.034 3.337 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -3.327 3.219 2.332 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -3.999 4.447 1.232 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -4.724 4.198 2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -6.615 -0.220 2.727 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -7.402 0.992 1.689 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -6.042 0.030 1.061 1.00 0.00 H new ATOM 958 N MET A 63 -7.059 5.545 1.677 1.00 0.00 N ATOM 959 CA MET A 63 -7.010 7.004 1.672 1.00 0.00 C ATOM 960 C MET A 63 -7.138 7.577 3.082 1.00 0.00 C ATOM 961 O MET A 63 -8.175 7.423 3.727 1.00 0.00 O ATOM 962 CB MET A 63 -8.129 7.561 0.793 1.00 0.00 C ATOM 963 CG MET A 63 -7.827 7.484 -0.692 1.00 0.00 C ATOM 964 SD MET A 63 -9.315 7.540 -1.710 1.00 0.00 S ATOM 965 CE MET A 63 -9.130 6.032 -2.659 1.00 0.00 C ATOM 0 H MET A 63 -7.663 5.145 2.395 1.00 0.00 H new ATOM 0 HA MET A 63 -6.041 7.300 1.271 1.00 0.00 H new ATOM 0 HB2 MET A 63 -9.048 7.012 0.998 1.00 0.00 H new ATOM 0 HB3 MET A 63 -8.311 8.601 1.065 1.00 0.00 H new ATOM 0 HG2 MET A 63 -7.172 8.310 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 63 -7.284 6.562 -0.901 1.00 0.00 H new ATOM 0 HE1 MET A 63 -9.976 5.923 -3.338 1.00 0.00 H new ATOM 0 HE2 MET A 63 -8.205 6.076 -3.235 1.00 0.00 H new ATOM 0 HE3 MET A 63 -9.096 5.178 -1.982 1.00 0.00 H new ATOM 975 N GLY A 64 -6.091 8.254 3.556 1.00 0.00 N ATOM 976 CA GLY A 64 -6.145 8.850 4.884 1.00 0.00 C ATOM 977 C GLY A 64 -5.679 7.911 5.977 1.00 0.00 C ATOM 978 O GLY A 64 -5.436 8.335 7.108 1.00 0.00 O ATOM 0 H GLY A 64 -5.217 8.399 3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.528 9.748 4.898 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.168 9.163 5.094 1.00 0.00 H new ATOM 982 N ARG A 65 -5.555 6.637 5.640 1.00 0.00 N ATOM 983 CA ARG A 65 -5.119 5.625 6.593 1.00 0.00 C ATOM 984 C ARG A 65 -5.085 4.259 5.925 1.00 0.00 C ATOM 985 O ARG A 65 -6.121 3.729 5.524 1.00 0.00 O ATOM 986 CB ARG A 65 -6.051 5.585 7.807 1.00 0.00 C ATOM 987 CG ARG A 65 -5.439 4.903 9.020 1.00 0.00 C ATOM 988 CD ARG A 65 -6.502 4.243 9.883 1.00 0.00 C ATOM 989 NE ARG A 65 -7.577 5.169 10.232 1.00 0.00 N ATOM 990 CZ ARG A 65 -7.461 6.130 11.145 1.00 0.00 C ATOM 991 NH1 ARG A 65 -6.321 6.292 11.806 1.00 0.00 N ATOM 992 NH2 ARG A 65 -8.487 6.930 11.400 1.00 0.00 N ATOM 0 H ARG A 65 -5.752 6.276 4.707 1.00 0.00 H new ATOM 0 HA ARG A 65 -4.117 5.885 6.933 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -6.329 6.604 8.075 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -6.969 5.066 7.533 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.718 4.154 8.692 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -4.891 5.635 9.613 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -6.919 3.387 9.353 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -6.043 3.861 10.795 1.00 0.00 H new ATOM 0 HE ARG A 65 -8.469 5.073 9.747 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -5.529 5.678 11.615 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -6.237 7.030 12.505 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -9.366 6.809 10.896 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -8.398 7.667 12.100 1.00 0.00 H new ATOM 1006 N VAL A 66 -3.891 3.697 5.796 1.00 0.00 N ATOM 1007 CA VAL A 66 -3.732 2.396 5.161 1.00 0.00 C ATOM 1008 C VAL A 66 -4.661 1.357 5.781 1.00 0.00 C ATOM 1009 O VAL A 66 -5.418 1.657 6.704 1.00 0.00 O ATOM 1010 CB VAL A 66 -2.281 1.891 5.255 1.00 0.00 C ATOM 1011 CG1 VAL A 66 -1.401 2.610 4.244 1.00 0.00 C ATOM 1012 CG2 VAL A 66 -1.742 2.068 6.667 1.00 0.00 C ATOM 0 H VAL A 66 -3.021 4.120 6.121 1.00 0.00 H new ATOM 0 HA VAL A 66 -3.993 2.531 4.111 1.00 0.00 H new ATOM 0 HB VAL A 66 -2.270 0.827 5.020 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -0.379 2.241 4.324 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -1.776 2.424 3.238 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.417 3.681 4.445 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.715 1.705 6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -1.766 3.124 6.936 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -2.358 1.502 7.365 1.00 0.00 H new ATOM 1022 N ALA A 67 -4.598 0.133 5.267 1.00 0.00 N ATOM 1023 CA ALA A 67 -5.436 -0.950 5.771 1.00 0.00 C ATOM 1024 C ALA A 67 -4.725 -1.727 6.873 1.00 0.00 C ATOM 1025 O ALA A 67 -3.571 -1.449 7.200 1.00 0.00 O ATOM 1026 CB ALA A 67 -5.832 -1.879 4.633 1.00 0.00 C ATOM 0 H ALA A 67 -3.977 -0.134 4.503 1.00 0.00 H new ATOM 0 HA ALA A 67 -6.338 -0.513 6.199 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -6.457 -2.683 5.021 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.387 -1.318 3.882 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -4.935 -2.302 4.180 1.00 0.00 H new ATOM 1032 N SER A 68 -5.423 -2.705 7.443 1.00 0.00 N ATOM 1033 CA SER A 68 -4.861 -3.526 8.508 1.00 0.00 C ATOM 1034 C SER A 68 -4.368 -4.861 7.960 1.00 0.00 C ATOM 1035 O SER A 68 -4.798 -5.302 6.895 1.00 0.00 O ATOM 1036 CB SER A 68 -5.902 -3.761 9.603 1.00 0.00 C ATOM 1037 OG SER A 68 -7.212 -3.792 9.064 1.00 0.00 O ATOM 0 H SER A 68 -6.379 -2.948 7.184 1.00 0.00 H new ATOM 0 HA SER A 68 -4.011 -2.994 8.935 1.00 0.00 H new ATOM 0 HB2 SER A 68 -5.693 -4.702 10.112 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.832 -2.971 10.351 1.00 0.00 H new ATOM 0 HG SER A 68 -7.859 -3.945 9.784 1.00 0.00 H new ATOM 1043 N LYS A 69 -3.463 -5.499 8.695 1.00 0.00 N ATOM 1044 CA LYS A 69 -2.906 -6.787 8.283 1.00 0.00 C ATOM 1045 C LYS A 69 -4.014 -7.791 7.970 1.00 0.00 C ATOM 1046 O LYS A 69 -3.908 -8.570 7.023 1.00 0.00 O ATOM 1047 CB LYS A 69 -1.995 -7.343 9.377 1.00 0.00 C ATOM 1048 CG LYS A 69 -2.649 -7.385 10.748 1.00 0.00 C ATOM 1049 CD LYS A 69 -1.725 -7.998 11.791 1.00 0.00 C ATOM 1050 CE LYS A 69 -2.192 -9.385 12.202 1.00 0.00 C ATOM 1051 NZ LYS A 69 -1.917 -9.660 13.640 1.00 0.00 N ATOM 0 H LYS A 69 -3.098 -5.147 9.580 1.00 0.00 H new ATOM 0 HA LYS A 69 -2.323 -6.626 7.376 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.683 -8.350 9.101 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.093 -6.733 9.432 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -2.923 -6.375 11.052 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -3.572 -7.963 10.694 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.712 -8.057 11.392 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.685 -7.352 12.668 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.261 -9.479 12.012 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -1.692 -10.133 11.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.250 -10.615 13.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.894 -9.595 13.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.415 -8.961 14.228 1.00 0.00 H new ATOM 1065 N GLU A 70 -5.071 -7.770 8.774 1.00 0.00 N ATOM 1066 CA GLU A 70 -6.193 -8.681 8.582 1.00 0.00 C ATOM 1067 C GLU A 70 -6.941 -8.363 7.291 1.00 0.00 C ATOM 1068 O GLU A 70 -7.380 -9.266 6.579 1.00 0.00 O ATOM 1069 CB GLU A 70 -7.152 -8.600 9.772 1.00 0.00 C ATOM 1070 CG GLU A 70 -8.298 -9.595 9.697 1.00 0.00 C ATOM 1071 CD GLU A 70 -9.329 -9.380 10.787 1.00 0.00 C ATOM 1072 OE1 GLU A 70 -10.171 -8.470 10.638 1.00 0.00 O ATOM 1073 OE2 GLU A 70 -9.295 -10.123 11.791 1.00 0.00 O ATOM 0 H GLU A 70 -5.174 -7.133 9.564 1.00 0.00 H new ATOM 0 HA GLU A 70 -5.796 -9.694 8.510 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -6.592 -8.771 10.692 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -7.561 -7.591 9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -8.782 -9.514 8.724 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -7.901 -10.607 9.772 1.00 0.00 H new ATOM 1080 N GLU A 71 -7.083 -7.075 6.996 1.00 0.00 N ATOM 1081 CA GLU A 71 -7.778 -6.638 5.792 1.00 0.00 C ATOM 1082 C GLU A 71 -7.075 -7.148 4.538 1.00 0.00 C ATOM 1083 O GLU A 71 -7.716 -7.423 3.524 1.00 0.00 O ATOM 1084 CB GLU A 71 -7.868 -5.112 5.755 1.00 0.00 C ATOM 1085 CG GLU A 71 -9.074 -4.593 4.987 1.00 0.00 C ATOM 1086 CD GLU A 71 -10.377 -4.819 5.727 1.00 0.00 C ATOM 1087 OE1 GLU A 71 -10.588 -4.166 6.771 1.00 0.00 O ATOM 1088 OE2 GLU A 71 -11.188 -5.646 5.261 1.00 0.00 O ATOM 0 H GLU A 71 -6.725 -6.315 7.575 1.00 0.00 H new ATOM 0 HA GLU A 71 -8.785 -7.055 5.815 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.908 -4.734 6.776 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.960 -4.713 5.302 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -8.948 -3.527 4.797 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -9.122 -5.086 4.016 1.00 0.00 H new ATOM 1095 N ILE A 72 -5.753 -7.271 4.613 1.00 0.00 N ATOM 1096 CA ILE A 72 -4.967 -7.746 3.482 1.00 0.00 C ATOM 1097 C ILE A 72 -5.199 -9.234 3.239 1.00 0.00 C ATOM 1098 O ILE A 72 -5.522 -9.647 2.125 1.00 0.00 O ATOM 1099 CB ILE A 72 -3.460 -7.503 3.697 1.00 0.00 C ATOM 1100 CG1 ILE A 72 -3.208 -6.066 4.156 1.00 0.00 C ATOM 1101 CG2 ILE A 72 -2.689 -7.799 2.420 1.00 0.00 C ATOM 1102 CD1 ILE A 72 -3.799 -5.019 3.236 1.00 0.00 C ATOM 0 H ILE A 72 -5.205 -7.048 5.444 1.00 0.00 H new ATOM 0 HA ILE A 72 -5.296 -7.180 2.611 1.00 0.00 H new ATOM 0 HB ILE A 72 -3.109 -8.178 4.477 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -3.624 -5.935 5.155 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -2.133 -5.903 4.234 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -1.626 -7.623 2.587 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -2.844 -8.839 2.134 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -3.043 -7.147 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -3.579 -4.025 3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -3.365 -5.122 2.241 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -4.879 -5.155 3.176 1.00 0.00 H new ATOM 1114 N LYS A 73 -5.033 -10.033 4.287 1.00 0.00 N ATOM 1115 CA LYS A 73 -5.226 -11.474 4.184 1.00 0.00 C ATOM 1116 C LYS A 73 -6.653 -11.801 3.754 1.00 0.00 C ATOM 1117 O LYS A 73 -6.888 -12.768 3.031 1.00 0.00 O ATOM 1118 CB LYS A 73 -4.916 -12.150 5.521 1.00 0.00 C ATOM 1119 CG LYS A 73 -5.026 -13.665 5.476 1.00 0.00 C ATOM 1120 CD LYS A 73 -3.668 -14.317 5.278 1.00 0.00 C ATOM 1121 CE LYS A 73 -3.063 -14.759 6.600 1.00 0.00 C ATOM 1122 NZ LYS A 73 -2.368 -16.071 6.483 1.00 0.00 N ATOM 0 H LYS A 73 -4.766 -9.708 5.216 1.00 0.00 H new ATOM 0 HA LYS A 73 -4.540 -11.854 3.427 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -3.908 -11.876 5.832 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -5.599 -11.767 6.279 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -5.472 -14.026 6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.693 -13.958 4.665 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -3.770 -15.178 4.618 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -2.995 -13.615 4.785 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -2.357 -14.004 6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.848 -14.830 7.353 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.970 -16.336 7.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.047 -16.797 6.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.602 -15.997 5.784 1.00 0.00 H new ATOM 1136 N LYS A 74 -7.600 -10.984 4.202 1.00 0.00 N ATOM 1137 CA LYS A 74 -9.005 -11.184 3.864 1.00 0.00 C ATOM 1138 C LYS A 74 -9.269 -10.813 2.408 1.00 0.00 C ATOM 1139 O LYS A 74 -10.108 -11.421 1.744 1.00 0.00 O ATOM 1140 CB LYS A 74 -9.896 -10.351 4.789 1.00 0.00 C ATOM 1141 CG LYS A 74 -10.903 -11.178 5.571 1.00 0.00 C ATOM 1142 CD LYS A 74 -10.222 -12.275 6.374 1.00 0.00 C ATOM 1143 CE LYS A 74 -11.025 -12.639 7.611 1.00 0.00 C ATOM 1144 NZ LYS A 74 -10.933 -11.589 8.662 1.00 0.00 N ATOM 0 H LYS A 74 -7.421 -10.177 4.800 1.00 0.00 H new ATOM 0 HA LYS A 74 -9.242 -12.239 3.999 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.266 -9.803 5.490 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.430 -9.610 4.194 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -11.464 -10.529 6.243 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.622 -11.623 4.883 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -10.094 -13.159 5.749 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.226 -11.946 6.669 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -12.069 -12.786 7.335 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.665 -13.586 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.863 -11.464 9.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.239 -11.877 9.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.633 -10.692 8.231 1.00 0.00 H new ATOM 1158 N ILE A 75 -8.540 -9.815 1.915 1.00 0.00 N ATOM 1159 CA ILE A 75 -8.688 -9.369 0.538 1.00 0.00 C ATOM 1160 C ILE A 75 -8.013 -10.353 -0.410 1.00 0.00 C ATOM 1161 O ILE A 75 -8.500 -10.609 -1.511 1.00 0.00 O ATOM 1162 CB ILE A 75 -8.095 -7.952 0.337 1.00 0.00 C ATOM 1163 CG1 ILE A 75 -9.075 -6.892 0.845 1.00 0.00 C ATOM 1164 CG2 ILE A 75 -7.758 -7.698 -1.128 1.00 0.00 C ATOM 1165 CD1 ILE A 75 -10.390 -6.877 0.096 1.00 0.00 C ATOM 0 H ILE A 75 -7.841 -9.301 2.452 1.00 0.00 H new ATOM 0 HA ILE A 75 -9.754 -9.326 0.314 1.00 0.00 H new ATOM 0 HB ILE A 75 -7.171 -7.888 0.912 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -9.271 -7.067 1.903 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.609 -5.910 0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -7.344 -6.696 -1.238 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -7.026 -8.432 -1.466 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -8.663 -7.785 -1.730 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -11.035 -6.102 0.509 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -10.206 -6.672 -0.959 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -10.877 -7.847 0.197 1.00 0.00 H new ATOM 1177 N LEU A 76 -6.885 -10.898 0.031 1.00 0.00 N ATOM 1178 CA LEU A 76 -6.137 -11.853 -0.771 1.00 0.00 C ATOM 1179 C LEU A 76 -6.857 -13.197 -0.829 1.00 0.00 C ATOM 1180 O LEU A 76 -6.762 -13.921 -1.819 1.00 0.00 O ATOM 1181 CB LEU A 76 -4.728 -12.035 -0.203 1.00 0.00 C ATOM 1182 CG LEU A 76 -3.649 -11.172 -0.860 1.00 0.00 C ATOM 1183 CD1 LEU A 76 -3.422 -11.607 -2.299 1.00 0.00 C ATOM 1184 CD2 LEU A 76 -4.033 -9.702 -0.799 1.00 0.00 C ATOM 0 H LEU A 76 -6.470 -10.693 0.940 1.00 0.00 H new ATOM 0 HA LEU A 76 -6.062 -11.460 -1.785 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.751 -11.812 0.864 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.445 -13.083 -0.303 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.717 -11.306 -0.310 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -2.651 -10.982 -2.751 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.102 -12.649 -2.318 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -4.350 -11.502 -2.861 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -3.254 -9.103 -1.271 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.976 -9.550 -1.324 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.144 -9.398 0.242 1.00 0.00 H new ATOM 1196 N SER A 77 -7.580 -13.522 0.239 1.00 0.00 N ATOM 1197 CA SER A 77 -8.318 -14.777 0.311 1.00 0.00 C ATOM 1198 C SER A 77 -9.541 -14.740 -0.601 1.00 0.00 C ATOM 1199 O SER A 77 -9.937 -13.629 -1.012 1.00 0.00 O ATOM 1200 CB SER A 77 -8.750 -15.058 1.751 1.00 0.00 C ATOM 1201 OG SER A 77 -9.738 -14.135 2.177 1.00 0.00 O ATOM 1202 OXT SER A 77 -10.091 -15.822 -0.895 1.00 0.00 O ATOM 0 H SER A 77 -7.670 -12.932 1.066 1.00 0.00 H new ATOM 0 HA SER A 77 -7.659 -15.577 -0.025 1.00 0.00 H new ATOM 0 HB2 SER A 77 -9.140 -16.073 1.825 1.00 0.00 H new ATOM 0 HB3 SER A 77 -7.885 -15.000 2.411 1.00 0.00 H new ATOM 0 HG SER A 77 -9.568 -13.261 1.768 1.00 0.00 H new TER 1208 SER A 77