USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 627 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 170:sc= -0.0833 (180deg=-0.177) USER MOD Single : A 2 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.3) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -86:sc= 0.479 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -116:sc= 0.282 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0814 USER MOD Single : A 25 ASN : amide:sc= -0.0292 X(o=-0.029,f=-0.18) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -0.0464 K(o=-0.046,f=-1.5!) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.85 K(o=-1.8,f=-4.3!) USER MOD Single : A 41 GLN : amide:sc= -8.86! C(o=-8.9!,f=-12!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc=-0.00367 X(o=-0.0037,f=-0.006) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 110:sc= -1.06 USER MOD Single : A 60 ASN : amide:sc= -0.0514 K(o=-0.051,f=-1.5!) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=-0.22) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot -156:sc= 1.06 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.242 X(o=-0.24,f=-0.052) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -12.754 -5.580 4.829 1.00 0.00 N ATOM 2 CA MET A 1 -12.715 -4.905 6.115 1.00 0.00 C ATOM 3 C MET A 1 -11.900 -3.613 6.033 1.00 0.00 C ATOM 4 O MET A 1 -11.459 -3.221 4.953 1.00 0.00 O ATOM 5 CB MET A 1 -12.095 -5.835 7.161 1.00 0.00 C ATOM 6 CG MET A 1 -10.641 -6.157 6.813 1.00 0.00 C ATOM 7 SD MET A 1 -9.996 -7.371 7.951 1.00 0.00 S ATOM 8 CE MET A 1 -10.534 -8.870 7.144 1.00 0.00 C ATOM 0 H1 MET A 1 -13.164 -6.529 4.947 1.00 0.00 H new ATOM 0 H2 MET A 1 -13.338 -5.031 4.166 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.788 -5.664 4.452 1.00 0.00 H new ATOM 0 HA MET A 1 -13.735 -4.650 6.401 1.00 0.00 H new ATOM 0 HB2 MET A 1 -12.142 -5.366 8.144 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.672 -6.758 7.220 1.00 0.00 H new ATOM 0 HG2 MET A 1 -10.578 -6.534 5.792 1.00 0.00 H new ATOM 0 HG3 MET A 1 -10.039 -5.250 6.856 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.212 -9.733 7.727 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.621 -8.871 7.065 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.098 -8.923 6.146 1.00 0.00 H new ATOM 18 N GLN A 2 -11.725 -2.987 7.187 1.00 0.00 N ATOM 19 CA GLN A 2 -10.970 -1.747 7.259 1.00 0.00 C ATOM 20 C GLN A 2 -9.491 -2.041 7.513 1.00 0.00 C ATOM 21 O GLN A 2 -9.153 -3.032 8.157 1.00 0.00 O ATOM 22 CB GLN A 2 -11.539 -0.821 8.335 1.00 0.00 C ATOM 23 CG GLN A 2 -10.697 0.450 8.466 1.00 0.00 C ATOM 24 CD GLN A 2 -11.310 1.411 9.486 1.00 0.00 C ATOM 25 OE1 GLN A 2 -10.857 1.533 10.613 1.00 0.00 O ATOM 26 NE2 GLN A 2 -12.363 2.085 9.031 1.00 0.00 N ATOM 0 H GLN A 2 -12.093 -3.315 8.080 1.00 0.00 H new ATOM 0 HA GLN A 2 -11.058 -1.234 6.302 1.00 0.00 H new ATOM 0 HB2 GLN A 2 -12.567 -0.557 8.086 1.00 0.00 H new ATOM 0 HB3 GLN A 2 -11.567 -1.343 9.291 1.00 0.00 H new ATOM 0 HG2 GLN A 2 -9.683 0.189 8.770 1.00 0.00 H new ATOM 0 HG3 GLN A 2 -10.622 0.942 7.496 1.00 0.00 H new ATOM 0 HE21 GLN A 2 -12.691 1.935 8.077 1.00 0.00 H new ATOM 0 HE22 GLN A 2 -12.842 2.751 9.636 1.00 0.00 H new ATOM 35 N ILE A 3 -8.648 -1.159 6.995 1.00 0.00 N ATOM 36 CA ILE A 3 -7.212 -1.311 7.159 1.00 0.00 C ATOM 37 C ILE A 3 -6.588 0.056 7.444 1.00 0.00 C ATOM 38 O ILE A 3 -7.211 1.090 7.201 1.00 0.00 O ATOM 39 CB ILE A 3 -6.607 -2.022 5.947 1.00 0.00 C ATOM 40 CG1 ILE A 3 -6.530 -1.084 4.741 1.00 0.00 C ATOM 41 CG2 ILE A 3 -7.376 -3.307 5.625 1.00 0.00 C ATOM 42 CD1 ILE A 3 -7.863 -1.044 3.991 1.00 0.00 C ATOM 0 H ILE A 3 -8.932 -0.337 6.462 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.992 -1.947 8.016 1.00 0.00 H new ATOM 0 HB ILE A 3 -5.586 -2.310 6.196 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -6.265 -0.080 5.073 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.740 -1.416 4.068 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -6.926 -3.793 4.760 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -7.335 -3.980 6.481 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -8.415 -3.063 5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -7.781 -0.370 3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -8.113 -2.045 3.639 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.646 -0.689 4.660 1.00 0.00 H new ATOM 54 N PHE A 4 -5.366 0.019 7.954 1.00 0.00 N ATOM 55 CA PHE A 4 -4.651 1.243 8.274 1.00 0.00 C ATOM 56 C PHE A 4 -3.363 1.356 7.456 1.00 0.00 C ATOM 57 O PHE A 4 -2.370 0.697 7.761 1.00 0.00 O ATOM 58 CB PHE A 4 -4.293 1.176 9.760 1.00 0.00 C ATOM 59 CG PHE A 4 -5.435 1.582 10.694 1.00 0.00 C ATOM 60 CD1 PHE A 4 -6.609 0.897 10.671 1.00 0.00 C ATOM 61 CD2 PHE A 4 -5.275 2.628 11.549 1.00 0.00 C ATOM 62 CE1 PHE A 4 -7.669 1.274 11.538 1.00 0.00 C ATOM 63 CE2 PHE A 4 -6.335 3.005 12.416 1.00 0.00 C ATOM 64 CZ PHE A 4 -7.509 2.320 12.392 1.00 0.00 C ATOM 0 H PHE A 4 -4.853 -0.839 8.154 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.273 2.108 8.044 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.982 0.160 10.003 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.437 1.824 9.947 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -6.736 0.066 9.993 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.342 3.172 11.569 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -8.602 0.730 11.519 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.208 3.836 13.094 1.00 0.00 H new ATOM 0 HZ PHE A 4 -8.315 2.607 13.051 1.00 0.00 H new ATOM 74 N VAL A 5 -3.421 2.195 6.433 1.00 0.00 N ATOM 75 CA VAL A 5 -2.272 2.403 5.569 1.00 0.00 C ATOM 76 C VAL A 5 -1.408 3.530 6.138 1.00 0.00 C ATOM 77 O VAL A 5 -1.929 4.504 6.680 1.00 0.00 O ATOM 78 CB VAL A 5 -2.736 2.671 4.136 1.00 0.00 C ATOM 79 CG1 VAL A 5 -3.433 4.030 4.031 1.00 0.00 C ATOM 80 CG2 VAL A 5 -1.567 2.577 3.154 1.00 0.00 C ATOM 0 H VAL A 5 -4.247 2.739 6.183 1.00 0.00 H new ATOM 0 HA VAL A 5 -1.654 1.506 5.534 1.00 0.00 H new ATOM 0 HB VAL A 5 -3.460 1.901 3.869 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -3.753 4.196 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.302 4.045 4.688 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -2.741 4.818 4.327 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.925 2.772 2.143 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -0.809 3.314 3.419 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -1.133 1.578 3.199 1.00 0.00 H new ATOM 90 N LYS A 6 -0.102 3.361 5.995 1.00 0.00 N ATOM 91 CA LYS A 6 0.839 4.353 6.489 1.00 0.00 C ATOM 92 C LYS A 6 1.441 5.111 5.304 1.00 0.00 C ATOM 93 O LYS A 6 1.659 4.536 4.239 1.00 0.00 O ATOM 94 CB LYS A 6 1.884 3.696 7.393 1.00 0.00 C ATOM 95 CG LYS A 6 2.168 4.563 8.622 1.00 0.00 C ATOM 96 CD LYS A 6 3.491 4.167 9.279 1.00 0.00 C ATOM 97 CE LYS A 6 4.280 5.403 9.712 1.00 0.00 C ATOM 98 NZ LYS A 6 4.895 5.187 11.041 1.00 0.00 N ATOM 0 H LYS A 6 0.327 2.553 5.545 1.00 0.00 H new ATOM 0 HA LYS A 6 0.328 5.087 7.112 1.00 0.00 H new ATOM 0 HB2 LYS A 6 1.531 2.715 7.709 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.806 3.538 6.834 1.00 0.00 H new ATOM 0 HG2 LYS A 6 2.203 5.613 8.331 1.00 0.00 H new ATOM 0 HG3 LYS A 6 1.355 4.458 9.341 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.296 3.534 10.145 1.00 0.00 H new ATOM 0 HD3 LYS A 6 4.086 3.578 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.055 5.622 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.619 6.269 9.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 5.427 6.036 11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.150 5.000 11.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 5.541 4.373 10.996 1.00 0.00 H new ATOM 112 N THR A 7 1.693 6.393 5.530 1.00 0.00 N ATOM 113 CA THR A 7 2.266 7.236 4.495 1.00 0.00 C ATOM 114 C THR A 7 3.766 7.421 4.726 1.00 0.00 C ATOM 115 O THR A 7 4.255 7.224 5.838 1.00 0.00 O ATOM 116 CB THR A 7 1.487 8.553 4.473 1.00 0.00 C ATOM 117 OG1 THR A 7 1.302 8.869 5.851 1.00 0.00 O ATOM 118 CG2 THR A 7 0.065 8.384 3.935 1.00 0.00 C ATOM 0 H THR A 7 1.511 6.867 6.414 1.00 0.00 H new ATOM 0 HA THR A 7 2.176 6.772 3.513 1.00 0.00 H new ATOM 0 HB THR A 7 2.021 9.281 3.862 1.00 0.00 H new ATOM 0 HG1 THR A 7 0.494 8.424 6.183 1.00 0.00 H new ATOM 0 HG21 THR A 7 -0.443 9.348 3.941 1.00 0.00 H new ATOM 0 HG22 THR A 7 0.105 8.001 2.915 1.00 0.00 H new ATOM 0 HG23 THR A 7 -0.481 7.682 4.565 1.00 0.00 H new ATOM 126 N LEU A 8 4.457 7.797 3.660 1.00 0.00 N ATOM 127 CA LEU A 8 5.891 8.011 3.733 1.00 0.00 C ATOM 128 C LEU A 8 6.177 9.228 4.615 1.00 0.00 C ATOM 129 O LEU A 8 7.335 9.560 4.865 1.00 0.00 O ATOM 130 CB LEU A 8 6.490 8.116 2.329 1.00 0.00 C ATOM 131 CG LEU A 8 7.824 7.397 2.113 1.00 0.00 C ATOM 132 CD1 LEU A 8 7.880 6.748 0.729 1.00 0.00 C ATOM 133 CD2 LEU A 8 9.002 8.344 2.351 1.00 0.00 C ATOM 0 H LEU A 8 4.049 7.959 2.739 1.00 0.00 H new ATOM 0 HA LEU A 8 6.379 7.156 4.200 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.767 7.720 1.616 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.626 9.171 2.092 1.00 0.00 H new ATOM 0 HG LEU A 8 7.902 6.595 2.847 1.00 0.00 H new ATOM 0 HD11 LEU A 8 8.838 6.244 0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.073 6.022 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.769 7.515 -0.037 1.00 0.00 H new ATOM 0 HD21 LEU A 8 9.938 7.808 2.191 1.00 0.00 H new ATOM 0 HD22 LEU A 8 8.941 9.182 1.657 1.00 0.00 H new ATOM 0 HD23 LEU A 8 8.968 8.717 3.375 1.00 0.00 H new ATOM 145 N THR A 9 5.102 9.859 5.064 1.00 0.00 N ATOM 146 CA THR A 9 5.222 11.032 5.913 1.00 0.00 C ATOM 147 C THR A 9 5.057 10.645 7.383 1.00 0.00 C ATOM 148 O THR A 9 5.303 11.456 8.274 1.00 0.00 O ATOM 149 CB THR A 9 4.200 12.067 5.438 1.00 0.00 C ATOM 150 OG1 THR A 9 4.562 12.316 4.082 1.00 0.00 O ATOM 151 CG2 THR A 9 4.375 13.422 6.126 1.00 0.00 C ATOM 0 H THR A 9 4.143 9.580 4.856 1.00 0.00 H new ATOM 0 HA THR A 9 6.214 11.476 5.836 1.00 0.00 H new ATOM 0 HB THR A 9 3.193 11.694 5.624 1.00 0.00 H new ATOM 0 HG1 THR A 9 3.949 12.976 3.696 1.00 0.00 H new ATOM 0 HG21 THR A 9 3.625 14.119 5.753 1.00 0.00 H new ATOM 0 HG22 THR A 9 4.255 13.302 7.203 1.00 0.00 H new ATOM 0 HG23 THR A 9 5.370 13.812 5.914 1.00 0.00 H new ATOM 159 N GLY A 10 4.641 9.405 7.592 1.00 0.00 N ATOM 160 CA GLY A 10 4.440 8.900 8.940 1.00 0.00 C ATOM 161 C GLY A 10 2.978 9.048 9.369 1.00 0.00 C ATOM 162 O GLY A 10 2.588 8.570 10.433 1.00 0.00 O ATOM 0 H GLY A 10 4.437 8.735 6.851 1.00 0.00 H new ATOM 0 HA2 GLY A 10 4.732 7.851 8.986 1.00 0.00 H new ATOM 0 HA3 GLY A 10 5.083 9.441 9.634 1.00 0.00 H new ATOM 166 N LYS A 11 2.211 9.713 8.518 1.00 0.00 N ATOM 167 CA LYS A 11 0.801 9.932 8.796 1.00 0.00 C ATOM 168 C LYS A 11 0.040 8.617 8.610 1.00 0.00 C ATOM 169 O LYS A 11 0.427 7.781 7.795 1.00 0.00 O ATOM 170 CB LYS A 11 0.258 11.081 7.945 1.00 0.00 C ATOM 171 CG LYS A 11 0.477 12.427 8.638 1.00 0.00 C ATOM 172 CD LYS A 11 1.800 13.060 8.201 1.00 0.00 C ATOM 173 CE LYS A 11 1.744 14.585 8.320 1.00 0.00 C ATOM 174 NZ LYS A 11 1.087 15.173 7.131 1.00 0.00 N ATOM 0 H LYS A 11 2.538 10.107 7.636 1.00 0.00 H new ATOM 0 HA LYS A 11 0.661 10.240 9.832 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.752 11.084 6.973 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -0.806 10.931 7.761 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.348 13.100 8.402 1.00 0.00 H new ATOM 0 HG3 LYS A 11 0.476 12.288 9.719 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.613 12.673 8.816 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.019 12.780 7.171 1.00 0.00 H new ATOM 0 HE2 LYS A 11 1.198 14.866 9.221 1.00 0.00 H new ATOM 0 HE3 LYS A 11 2.753 14.985 8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 1.057 16.208 7.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.624 14.920 6.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.118 14.804 7.052 1.00 0.00 H new ATOM 188 N THR A 12 -1.029 8.475 9.381 1.00 0.00 N ATOM 189 CA THR A 12 -1.847 7.276 9.312 1.00 0.00 C ATOM 190 C THR A 12 -3.138 7.556 8.540 1.00 0.00 C ATOM 191 O THR A 12 -3.860 8.501 8.854 1.00 0.00 O ATOM 192 CB THR A 12 -2.087 6.785 10.741 1.00 0.00 C ATOM 193 OG1 THR A 12 -0.779 6.530 11.245 1.00 0.00 O ATOM 194 CG2 THR A 12 -2.776 5.419 10.782 1.00 0.00 C ATOM 0 H THR A 12 -1.347 9.170 10.056 1.00 0.00 H new ATOM 0 HA THR A 12 -1.342 6.483 8.761 1.00 0.00 H new ATOM 0 HB THR A 12 -2.694 7.514 11.278 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.841 6.209 12.169 1.00 0.00 H new ATOM 0 HG21 THR A 12 -2.923 5.117 11.819 1.00 0.00 H new ATOM 0 HG22 THR A 12 -3.743 5.484 10.282 1.00 0.00 H new ATOM 0 HG23 THR A 12 -2.154 4.682 10.274 1.00 0.00 H new ATOM 202 N ILE A 13 -3.389 6.716 7.546 1.00 0.00 N ATOM 203 CA ILE A 13 -4.580 6.862 6.727 1.00 0.00 C ATOM 204 C ILE A 13 -5.361 5.546 6.732 1.00 0.00 C ATOM 205 O ILE A 13 -4.862 4.522 6.268 1.00 0.00 O ATOM 206 CB ILE A 13 -4.211 7.352 5.326 1.00 0.00 C ATOM 207 CG1 ILE A 13 -3.659 8.778 5.371 1.00 0.00 C ATOM 208 CG2 ILE A 13 -5.399 7.228 4.370 1.00 0.00 C ATOM 209 CD1 ILE A 13 -4.656 9.731 6.035 1.00 0.00 C ATOM 0 H ILE A 13 -2.788 5.933 7.290 1.00 0.00 H new ATOM 0 HA ILE A 13 -5.237 7.626 7.143 1.00 0.00 H new ATOM 0 HB ILE A 13 -3.418 6.712 4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -2.718 8.790 5.920 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -3.442 9.120 4.359 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.109 7.583 3.381 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -5.706 6.184 4.305 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -6.229 7.828 4.742 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -4.239 10.738 6.054 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -5.588 9.735 5.469 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -4.852 9.400 7.055 1.00 0.00 H new ATOM 221 N THR A 14 -6.573 5.616 7.262 1.00 0.00 N ATOM 222 CA THR A 14 -7.428 4.442 7.333 1.00 0.00 C ATOM 223 C THR A 14 -8.389 4.410 6.144 1.00 0.00 C ATOM 224 O THR A 14 -8.888 5.449 5.716 1.00 0.00 O ATOM 225 CB THR A 14 -8.137 4.457 8.689 1.00 0.00 C ATOM 226 OG1 THR A 14 -7.116 4.824 9.612 1.00 0.00 O ATOM 227 CG2 THR A 14 -8.562 3.058 9.142 1.00 0.00 C ATOM 0 H THR A 14 -6.984 6.467 7.646 1.00 0.00 H new ATOM 0 HA THR A 14 -6.846 3.523 7.264 1.00 0.00 H new ATOM 0 HB THR A 14 -9.013 5.103 8.633 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.963 4.087 10.240 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.060 3.124 10.109 1.00 0.00 H new ATOM 0 HG22 THR A 14 -9.247 2.631 8.410 1.00 0.00 H new ATOM 0 HG23 THR A 14 -7.682 2.421 9.230 1.00 0.00 H new ATOM 235 N LEU A 15 -8.621 3.205 5.645 1.00 0.00 N ATOM 236 CA LEU A 15 -9.515 3.023 4.514 1.00 0.00 C ATOM 237 C LEU A 15 -10.388 1.789 4.752 1.00 0.00 C ATOM 238 O LEU A 15 -9.884 0.730 5.122 1.00 0.00 O ATOM 239 CB LEU A 15 -8.721 2.973 3.207 1.00 0.00 C ATOM 240 CG LEU A 15 -9.276 3.810 2.053 1.00 0.00 C ATOM 241 CD1 LEU A 15 -10.565 3.200 1.501 1.00 0.00 C ATOM 242 CD2 LEU A 15 -9.467 5.269 2.476 1.00 0.00 C ATOM 0 H LEU A 15 -8.205 2.345 6.003 1.00 0.00 H new ATOM 0 HA LEU A 15 -10.188 3.875 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.702 3.302 3.411 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -8.661 1.935 2.881 1.00 0.00 H new ATOM 0 HG LEU A 15 -8.545 3.802 1.244 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.937 3.815 0.682 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.364 2.193 1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.314 3.156 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -9.862 5.842 1.637 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -10.167 5.317 3.311 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -8.508 5.688 2.782 1.00 0.00 H new ATOM 254 N GLU A 16 -11.681 1.966 4.529 1.00 0.00 N ATOM 255 CA GLU A 16 -12.629 0.880 4.713 1.00 0.00 C ATOM 256 C GLU A 16 -12.928 0.202 3.376 1.00 0.00 C ATOM 257 O GLU A 16 -13.519 0.811 2.486 1.00 0.00 O ATOM 258 CB GLU A 16 -13.916 1.381 5.373 1.00 0.00 C ATOM 259 CG GLU A 16 -14.543 2.514 4.560 1.00 0.00 C ATOM 260 CD GLU A 16 -14.652 3.793 5.393 1.00 0.00 C ATOM 261 OE1 GLU A 16 -13.609 4.200 5.947 1.00 0.00 O ATOM 262 OE2 GLU A 16 -15.778 4.334 5.458 1.00 0.00 O ATOM 0 H GLU A 16 -12.095 2.846 4.222 1.00 0.00 H new ATOM 0 HA GLU A 16 -12.180 0.143 5.379 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.626 0.559 5.465 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.699 1.730 6.383 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.941 2.705 3.672 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.533 2.215 4.216 1.00 0.00 H new ATOM 269 N VAL A 17 -12.504 -1.050 3.276 1.00 0.00 N ATOM 270 CA VAL A 17 -12.719 -1.817 2.060 1.00 0.00 C ATOM 271 C VAL A 17 -13.264 -3.199 2.426 1.00 0.00 C ATOM 272 O VAL A 17 -13.410 -3.522 3.603 1.00 0.00 O ATOM 273 CB VAL A 17 -11.424 -1.882 1.248 1.00 0.00 C ATOM 274 CG1 VAL A 17 -10.958 -0.481 0.846 1.00 0.00 C ATOM 275 CG2 VAL A 17 -10.329 -2.625 2.016 1.00 0.00 C ATOM 0 H VAL A 17 -12.013 -1.552 4.016 1.00 0.00 H new ATOM 0 HA VAL A 17 -13.461 -1.331 1.426 1.00 0.00 H new ATOM 0 HB VAL A 17 -11.630 -2.442 0.336 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -10.036 -0.556 0.270 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.727 -0.002 0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.779 0.114 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -9.420 -2.656 1.415 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -10.127 -2.107 2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -10.659 -3.642 2.227 1.00 0.00 H new ATOM 285 N GLU A 18 -13.552 -3.978 1.393 1.00 0.00 N ATOM 286 CA GLU A 18 -14.080 -5.317 1.590 1.00 0.00 C ATOM 287 C GLU A 18 -13.012 -6.362 1.257 1.00 0.00 C ATOM 288 O GLU A 18 -12.039 -6.063 0.568 1.00 0.00 O ATOM 289 CB GLU A 18 -15.343 -5.538 0.754 1.00 0.00 C ATOM 290 CG GLU A 18 -16.597 -5.466 1.626 1.00 0.00 C ATOM 291 CD GLU A 18 -17.850 -5.801 0.814 1.00 0.00 C ATOM 292 OE1 GLU A 18 -17.818 -5.545 -0.409 1.00 0.00 O ATOM 293 OE2 GLU A 18 -18.811 -6.304 1.433 1.00 0.00 O ATOM 0 H GLU A 18 -13.430 -3.707 0.417 1.00 0.00 H new ATOM 0 HA GLU A 18 -14.355 -5.427 2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -15.399 -4.785 -0.033 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -15.293 -6.510 0.263 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -16.504 -6.161 2.461 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -16.691 -4.467 2.051 1.00 0.00 H new ATOM 300 N PRO A 19 -13.238 -7.599 1.777 1.00 0.00 N ATOM 301 CA PRO A 19 -12.307 -8.689 1.542 1.00 0.00 C ATOM 302 C PRO A 19 -12.439 -9.226 0.116 1.00 0.00 C ATOM 303 O PRO A 19 -11.562 -9.941 -0.366 1.00 0.00 O ATOM 304 CB PRO A 19 -12.642 -9.728 2.601 1.00 0.00 C ATOM 305 CG PRO A 19 -14.041 -9.388 3.088 1.00 0.00 C ATOM 306 CD PRO A 19 -14.381 -7.990 2.597 1.00 0.00 C ATOM 0 HA PRO A 19 -11.266 -8.377 1.624 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -12.607 -10.735 2.185 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -11.924 -9.696 3.421 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -14.763 -10.111 2.709 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -14.087 -9.432 4.176 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -15.304 -7.987 2.017 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.525 -7.302 3.430 1.00 0.00 H new ATOM 314 N SER A 20 -13.543 -8.861 -0.520 1.00 0.00 N ATOM 315 CA SER A 20 -13.802 -9.298 -1.881 1.00 0.00 C ATOM 316 C SER A 20 -13.204 -8.297 -2.873 1.00 0.00 C ATOM 317 O SER A 20 -12.907 -8.651 -4.013 1.00 0.00 O ATOM 318 CB SER A 20 -15.302 -9.461 -2.132 1.00 0.00 C ATOM 319 OG SER A 20 -15.783 -10.726 -1.685 1.00 0.00 O ATOM 0 H SER A 20 -14.268 -8.267 -0.117 1.00 0.00 H new ATOM 0 HA SER A 20 -13.330 -10.270 -2.024 1.00 0.00 H new ATOM 0 HB2 SER A 20 -15.844 -8.666 -1.620 1.00 0.00 H new ATOM 0 HB3 SER A 20 -15.506 -9.351 -3.197 1.00 0.00 H new ATOM 0 HG SER A 20 -16.745 -10.791 -1.861 1.00 0.00 H new ATOM 325 N ASP A 21 -13.046 -7.069 -2.403 1.00 0.00 N ATOM 326 CA ASP A 21 -12.489 -6.016 -3.234 1.00 0.00 C ATOM 327 C ASP A 21 -11.018 -6.323 -3.523 1.00 0.00 C ATOM 328 O ASP A 21 -10.308 -6.839 -2.662 1.00 0.00 O ATOM 329 CB ASP A 21 -12.559 -4.661 -2.527 1.00 0.00 C ATOM 330 CG ASP A 21 -13.893 -4.355 -1.844 1.00 0.00 C ATOM 331 OD1 ASP A 21 -14.870 -5.065 -2.167 1.00 0.00 O ATOM 332 OD2 ASP A 21 -13.905 -3.419 -1.015 1.00 0.00 O ATOM 0 H ASP A 21 -13.294 -6.780 -1.457 1.00 0.00 H new ATOM 0 HA ASP A 21 -13.069 -5.972 -4.156 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.767 -4.617 -1.779 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -12.353 -3.877 -3.256 1.00 0.00 H new ATOM 337 N THR A 22 -10.606 -5.994 -4.739 1.00 0.00 N ATOM 338 CA THR A 22 -9.232 -6.230 -5.153 1.00 0.00 C ATOM 339 C THR A 22 -8.342 -5.060 -4.732 1.00 0.00 C ATOM 340 O THR A 22 -8.833 -4.048 -4.234 1.00 0.00 O ATOM 341 CB THR A 22 -9.231 -6.483 -6.662 1.00 0.00 C ATOM 342 OG1 THR A 22 -10.213 -5.583 -7.166 1.00 0.00 O ATOM 343 CG2 THR A 22 -9.772 -7.867 -7.024 1.00 0.00 C ATOM 0 H THR A 22 -11.199 -5.566 -5.451 1.00 0.00 H new ATOM 0 HA THR A 22 -8.814 -7.109 -4.662 1.00 0.00 H new ATOM 0 HB THR A 22 -8.216 -6.378 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 22 -10.276 -5.679 -8.139 1.00 0.00 H new ATOM 0 HG21 THR A 22 -9.749 -7.995 -8.106 1.00 0.00 H new ATOM 0 HG22 THR A 22 -9.154 -8.633 -6.555 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.798 -7.961 -6.669 1.00 0.00 H new ATOM 351 N ILE A 23 -7.047 -5.237 -4.946 1.00 0.00 N ATOM 352 CA ILE A 23 -6.082 -4.209 -4.595 1.00 0.00 C ATOM 353 C ILE A 23 -6.374 -2.943 -5.404 1.00 0.00 C ATOM 354 O ILE A 23 -6.220 -1.831 -4.902 1.00 0.00 O ATOM 355 CB ILE A 23 -4.654 -4.732 -4.765 1.00 0.00 C ATOM 356 CG1 ILE A 23 -4.292 -5.711 -3.647 1.00 0.00 C ATOM 357 CG2 ILE A 23 -3.655 -3.578 -4.863 1.00 0.00 C ATOM 358 CD1 ILE A 23 -4.076 -4.975 -2.323 1.00 0.00 C ATOM 0 H ILE A 23 -6.643 -6.078 -5.359 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.176 -3.944 -3.542 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.602 -5.283 -5.704 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -5.087 -6.448 -3.532 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -3.388 -6.257 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.648 -3.978 -4.983 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.903 -2.954 -5.722 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.701 -2.979 -3.954 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.820 -5.694 -1.545 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -3.264 -4.256 -2.435 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -4.990 -4.450 -2.045 1.00 0.00 H new ATOM 370 N GLU A 24 -6.791 -3.156 -6.644 1.00 0.00 N ATOM 371 CA GLU A 24 -7.105 -2.047 -7.528 1.00 0.00 C ATOM 372 C GLU A 24 -8.288 -1.247 -6.976 1.00 0.00 C ATOM 373 O GLU A 24 -8.312 -0.022 -7.074 1.00 0.00 O ATOM 374 CB GLU A 24 -7.393 -2.541 -8.947 1.00 0.00 C ATOM 375 CG GLU A 24 -8.624 -3.449 -8.972 1.00 0.00 C ATOM 376 CD GLU A 24 -9.015 -3.804 -10.409 1.00 0.00 C ATOM 377 OE1 GLU A 24 -9.340 -2.857 -11.158 1.00 0.00 O ATOM 378 OE2 GLU A 24 -8.980 -5.013 -10.724 1.00 0.00 O ATOM 0 H GLU A 24 -6.918 -4.080 -7.057 1.00 0.00 H new ATOM 0 HA GLU A 24 -6.237 -1.390 -7.576 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -7.552 -1.689 -9.607 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -6.529 -3.084 -9.329 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.419 -4.361 -8.411 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.458 -2.951 -8.477 1.00 0.00 H new ATOM 385 N ASN A 25 -9.238 -1.974 -6.408 1.00 0.00 N ATOM 386 CA ASN A 25 -10.420 -1.348 -5.840 1.00 0.00 C ATOM 387 C ASN A 25 -10.017 -0.524 -4.616 1.00 0.00 C ATOM 388 O ASN A 25 -10.470 0.607 -4.447 1.00 0.00 O ATOM 389 CB ASN A 25 -11.438 -2.398 -5.390 1.00 0.00 C ATOM 390 CG ASN A 25 -12.824 -2.101 -5.965 1.00 0.00 C ATOM 391 OD1 ASN A 25 -13.262 -0.966 -6.043 1.00 0.00 O ATOM 392 ND2 ASN A 25 -13.486 -3.184 -6.364 1.00 0.00 N ATOM 0 H ASN A 25 -9.214 -2.991 -6.329 1.00 0.00 H new ATOM 0 HA ASN A 25 -10.869 -0.717 -6.607 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.112 -3.387 -5.711 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -11.489 -2.417 -4.301 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -14.420 -3.092 -6.764 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -13.060 -4.106 -6.270 1.00 0.00 H new ATOM 399 N VAL A 26 -9.168 -1.123 -3.792 1.00 0.00 N ATOM 400 CA VAL A 26 -8.700 -0.459 -2.589 1.00 0.00 C ATOM 401 C VAL A 26 -7.890 0.780 -2.977 1.00 0.00 C ATOM 402 O VAL A 26 -8.042 1.841 -2.373 1.00 0.00 O ATOM 403 CB VAL A 26 -7.909 -1.442 -1.722 1.00 0.00 C ATOM 404 CG1 VAL A 26 -7.425 -0.772 -0.435 1.00 0.00 C ATOM 405 CG2 VAL A 26 -8.739 -2.689 -1.412 1.00 0.00 C ATOM 0 H VAL A 26 -8.793 -2.061 -3.935 1.00 0.00 H new ATOM 0 HA VAL A 26 -9.544 -0.121 -1.987 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.031 -1.755 -2.287 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -6.866 -1.492 0.162 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.780 0.071 -0.684 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.283 -0.416 0.135 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.154 -3.371 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.643 -2.400 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -9.012 -3.185 -2.343 1.00 0.00 H new ATOM 415 N LYS A 27 -7.047 0.604 -3.983 1.00 0.00 N ATOM 416 CA LYS A 27 -6.212 1.694 -4.459 1.00 0.00 C ATOM 417 C LYS A 27 -7.102 2.803 -5.024 1.00 0.00 C ATOM 418 O LYS A 27 -6.857 3.985 -4.784 1.00 0.00 O ATOM 419 CB LYS A 27 -5.170 1.178 -5.452 1.00 0.00 C ATOM 420 CG LYS A 27 -3.850 0.860 -4.746 1.00 0.00 C ATOM 421 CD LYS A 27 -2.818 0.309 -5.734 1.00 0.00 C ATOM 422 CE LYS A 27 -1.841 -0.637 -5.034 1.00 0.00 C ATOM 423 NZ LYS A 27 -1.204 -1.543 -6.016 1.00 0.00 N ATOM 0 H LYS A 27 -6.924 -0.277 -4.482 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.646 2.127 -3.634 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.546 0.283 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -5.001 1.925 -6.228 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.460 1.761 -4.273 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -4.024 0.133 -3.953 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.327 -0.219 -6.540 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -2.269 1.133 -6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -1.077 -0.060 -4.513 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.368 -1.221 -4.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.544 -2.179 -5.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -1.936 -2.106 -6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.684 -0.981 -6.720 1.00 0.00 H new ATOM 437 N ALA A 28 -8.119 2.383 -5.764 1.00 0.00 N ATOM 438 CA ALA A 28 -9.047 3.325 -6.366 1.00 0.00 C ATOM 439 C ALA A 28 -9.710 4.154 -5.263 1.00 0.00 C ATOM 440 O ALA A 28 -9.892 5.361 -5.414 1.00 0.00 O ATOM 441 CB ALA A 28 -10.066 2.566 -7.218 1.00 0.00 C ATOM 0 H ALA A 28 -8.320 1.402 -5.960 1.00 0.00 H new ATOM 0 HA ALA A 28 -8.521 4.014 -7.027 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.762 3.273 -7.669 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -9.547 2.017 -8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -10.617 1.866 -6.589 1.00 0.00 H new ATOM 447 N LYS A 29 -10.055 3.472 -4.181 1.00 0.00 N ATOM 448 CA LYS A 29 -10.694 4.129 -3.054 1.00 0.00 C ATOM 449 C LYS A 29 -9.730 5.153 -2.451 1.00 0.00 C ATOM 450 O LYS A 29 -10.132 6.264 -2.109 1.00 0.00 O ATOM 451 CB LYS A 29 -11.201 3.095 -2.047 1.00 0.00 C ATOM 452 CG LYS A 29 -12.562 3.503 -1.480 1.00 0.00 C ATOM 453 CD LYS A 29 -13.346 2.279 -1.002 1.00 0.00 C ATOM 454 CE LYS A 29 -14.610 2.698 -0.249 1.00 0.00 C ATOM 455 NZ LYS A 29 -15.807 2.074 -0.856 1.00 0.00 N ATOM 0 H LYS A 29 -9.904 2.470 -4.061 1.00 0.00 H new ATOM 0 HA LYS A 29 -11.576 4.677 -3.384 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.281 2.121 -2.530 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.482 2.990 -1.235 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.421 4.196 -0.650 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.134 4.031 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.616 1.659 -1.857 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.717 1.670 -0.353 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.531 2.404 0.798 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -14.709 3.783 -0.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -16.656 2.369 -0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -15.890 2.375 -1.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -15.718 1.039 -0.815 1.00 0.00 H new ATOM 469 N ILE A 30 -8.475 4.741 -2.340 1.00 0.00 N ATOM 470 CA ILE A 30 -7.449 5.609 -1.784 1.00 0.00 C ATOM 471 C ILE A 30 -7.283 6.836 -2.684 1.00 0.00 C ATOM 472 O ILE A 30 -7.003 7.931 -2.200 1.00 0.00 O ATOM 473 CB ILE A 30 -6.152 4.829 -1.560 1.00 0.00 C ATOM 474 CG1 ILE A 30 -6.348 3.727 -0.517 1.00 0.00 C ATOM 475 CG2 ILE A 30 -5.003 5.770 -1.192 1.00 0.00 C ATOM 476 CD1 ILE A 30 -5.303 2.623 -0.684 1.00 0.00 C ATOM 0 H ILE A 30 -8.145 3.819 -2.625 1.00 0.00 H new ATOM 0 HA ILE A 30 -7.748 5.973 -0.801 1.00 0.00 H new ATOM 0 HB ILE A 30 -5.881 4.341 -2.496 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -6.277 4.152 0.484 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -7.348 3.304 -0.613 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.093 5.190 -1.038 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.846 6.485 -1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -5.251 6.306 -0.276 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.465 1.852 0.069 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.393 2.184 -1.678 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.305 3.045 -0.563 1.00 0.00 H new ATOM 488 N GLN A 31 -7.462 6.609 -3.977 1.00 0.00 N ATOM 489 CA GLN A 31 -7.334 7.682 -4.950 1.00 0.00 C ATOM 490 C GLN A 31 -8.434 8.724 -4.736 1.00 0.00 C ATOM 491 O GLN A 31 -8.152 9.862 -4.362 1.00 0.00 O ATOM 492 CB GLN A 31 -7.366 7.135 -6.377 1.00 0.00 C ATOM 493 CG GLN A 31 -7.255 8.267 -7.401 1.00 0.00 C ATOM 494 CD GLN A 31 -7.609 7.773 -8.805 1.00 0.00 C ATOM 495 OE1 GLN A 31 -8.224 6.735 -8.989 1.00 0.00 O ATOM 496 NE2 GLN A 31 -7.188 8.572 -9.781 1.00 0.00 N ATOM 0 H GLN A 31 -7.695 5.699 -4.374 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.368 8.166 -4.805 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -6.547 6.430 -6.519 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -8.292 6.584 -6.538 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -7.921 9.083 -7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -6.241 8.667 -7.397 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.678 9.427 -9.556 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -7.375 8.330 -10.754 1.00 0.00 H new ATOM 505 N ASP A 32 -9.664 8.298 -4.984 1.00 0.00 N ATOM 506 CA ASP A 32 -10.807 9.180 -4.824 1.00 0.00 C ATOM 507 C ASP A 32 -10.752 9.835 -3.442 1.00 0.00 C ATOM 508 O ASP A 32 -11.267 10.935 -3.251 1.00 0.00 O ATOM 509 CB ASP A 32 -12.122 8.403 -4.926 1.00 0.00 C ATOM 510 CG ASP A 32 -13.160 9.010 -5.873 1.00 0.00 C ATOM 511 OD1 ASP A 32 -13.696 10.081 -5.515 1.00 0.00 O ATOM 512 OD2 ASP A 32 -13.393 8.389 -6.932 1.00 0.00 O ATOM 0 H ASP A 32 -9.894 7.354 -5.294 1.00 0.00 H new ATOM 0 HA ASP A 32 -10.768 9.928 -5.615 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -11.902 7.387 -5.255 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -12.560 8.328 -3.931 1.00 0.00 H new ATOM 517 N LYS A 33 -10.123 9.130 -2.514 1.00 0.00 N ATOM 518 CA LYS A 33 -9.993 9.628 -1.155 1.00 0.00 C ATOM 519 C LYS A 33 -8.937 10.735 -1.121 1.00 0.00 C ATOM 520 O LYS A 33 -9.273 11.918 -1.079 1.00 0.00 O ATOM 521 CB LYS A 33 -9.710 8.478 -0.186 1.00 0.00 C ATOM 522 CG LYS A 33 -9.464 9.002 1.230 1.00 0.00 C ATOM 523 CD LYS A 33 -10.738 8.920 2.073 1.00 0.00 C ATOM 524 CE LYS A 33 -10.651 9.847 3.288 1.00 0.00 C ATOM 525 NZ LYS A 33 -11.915 10.598 3.458 1.00 0.00 N ATOM 0 H LYS A 33 -9.697 8.217 -2.676 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.931 10.071 -0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -10.553 7.787 -0.180 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -8.840 7.917 -0.526 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -8.672 8.422 1.704 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -9.119 10.035 1.185 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.600 9.193 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -10.894 7.893 2.404 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -10.445 9.263 4.185 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -9.821 10.543 3.163 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -11.839 11.222 4.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -12.096 11.170 2.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -12.700 9.930 3.598 1.00 0.00 H new ATOM 539 N GLU A 34 -7.682 10.312 -1.140 1.00 0.00 N ATOM 540 CA GLU A 34 -6.574 11.251 -1.112 1.00 0.00 C ATOM 541 C GLU A 34 -6.350 11.850 -2.501 1.00 0.00 C ATOM 542 O GLU A 34 -6.382 13.068 -2.670 1.00 0.00 O ATOM 543 CB GLU A 34 -5.300 10.583 -0.591 1.00 0.00 C ATOM 544 CG GLU A 34 -5.105 10.862 0.901 1.00 0.00 C ATOM 545 CD GLU A 34 -3.708 11.424 1.175 1.00 0.00 C ATOM 546 OE1 GLU A 34 -3.473 12.584 0.771 1.00 0.00 O ATOM 547 OE2 GLU A 34 -2.906 10.680 1.781 1.00 0.00 O ATOM 0 H GLU A 34 -7.408 9.330 -1.174 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.827 12.059 -0.426 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.354 9.507 -0.759 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.438 10.950 -1.149 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -5.860 11.570 1.244 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -5.249 9.943 1.469 1.00 0.00 H new ATOM 554 N GLY A 35 -6.128 10.966 -3.464 1.00 0.00 N ATOM 555 CA GLY A 35 -5.900 11.391 -4.834 1.00 0.00 C ATOM 556 C GLY A 35 -4.548 10.890 -5.345 1.00 0.00 C ATOM 557 O GLY A 35 -3.931 11.522 -6.201 1.00 0.00 O ATOM 0 H GLY A 35 -6.101 9.956 -3.321 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -6.697 11.013 -5.473 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.934 12.479 -4.892 1.00 0.00 H new ATOM 561 N ILE A 36 -4.126 9.759 -4.798 1.00 0.00 N ATOM 562 CA ILE A 36 -2.859 9.166 -5.187 1.00 0.00 C ATOM 563 C ILE A 36 -3.086 8.214 -6.363 1.00 0.00 C ATOM 564 O ILE A 36 -4.101 7.522 -6.419 1.00 0.00 O ATOM 565 CB ILE A 36 -2.184 8.505 -3.984 1.00 0.00 C ATOM 566 CG1 ILE A 36 -1.857 9.539 -2.903 1.00 0.00 C ATOM 567 CG2 ILE A 36 -0.946 7.717 -4.414 1.00 0.00 C ATOM 568 CD1 ILE A 36 -1.974 8.925 -1.506 1.00 0.00 C ATOM 0 H ILE A 36 -4.640 9.238 -4.088 1.00 0.00 H new ATOM 0 HA ILE A 36 -2.168 9.937 -5.528 1.00 0.00 H new ATOM 0 HB ILE A 36 -2.884 7.792 -3.549 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.847 9.921 -3.053 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.535 10.388 -2.989 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.485 7.257 -3.540 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.237 6.940 -5.121 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -0.232 8.391 -4.888 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.737 9.679 -0.756 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -2.991 8.566 -1.350 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -1.277 8.092 -1.415 1.00 0.00 H new ATOM 580 N PRO A 37 -2.100 8.211 -7.300 1.00 0.00 N ATOM 581 CA PRO A 37 -2.183 7.355 -8.471 1.00 0.00 C ATOM 582 C PRO A 37 -1.890 5.898 -8.107 1.00 0.00 C ATOM 583 O PRO A 37 -1.071 5.625 -7.232 1.00 0.00 O ATOM 584 CB PRO A 37 -1.178 7.935 -9.453 1.00 0.00 C ATOM 585 CG PRO A 37 -0.242 8.804 -8.628 1.00 0.00 C ATOM 586 CD PRO A 37 -0.883 9.018 -7.267 1.00 0.00 C ATOM 0 HA PRO A 37 -3.181 7.335 -8.908 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.628 7.143 -9.962 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.679 8.522 -10.223 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.730 8.323 -8.521 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -0.072 9.759 -9.124 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -0.219 8.701 -6.462 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -1.110 10.070 -7.097 1.00 0.00 H new ATOM 594 N PRO A 38 -2.594 4.976 -8.818 1.00 0.00 N ATOM 595 CA PRO A 38 -2.418 3.554 -8.580 1.00 0.00 C ATOM 596 C PRO A 38 -1.099 3.057 -9.175 1.00 0.00 C ATOM 597 O PRO A 38 -0.535 2.069 -8.706 1.00 0.00 O ATOM 598 CB PRO A 38 -3.638 2.897 -9.205 1.00 0.00 C ATOM 599 CG PRO A 38 -4.213 3.920 -10.171 1.00 0.00 C ATOM 600 CD PRO A 38 -3.572 5.263 -9.864 1.00 0.00 C ATOM 0 HA PRO A 38 -2.350 3.310 -7.520 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -3.364 1.979 -9.725 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.369 2.625 -8.443 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -4.011 3.627 -11.201 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -5.296 3.980 -10.063 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -3.094 5.685 -10.748 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -4.313 5.987 -9.526 1.00 0.00 H new ATOM 608 N ASP A 39 -0.646 3.764 -10.200 1.00 0.00 N ATOM 609 CA ASP A 39 0.596 3.407 -10.864 1.00 0.00 C ATOM 610 C ASP A 39 1.768 3.659 -9.915 1.00 0.00 C ATOM 611 O ASP A 39 2.685 2.843 -9.824 1.00 0.00 O ATOM 612 CB ASP A 39 0.813 4.255 -12.118 1.00 0.00 C ATOM 613 CG ASP A 39 0.005 3.819 -13.342 1.00 0.00 C ATOM 614 OD1 ASP A 39 -0.228 2.598 -13.463 1.00 0.00 O ATOM 615 OD2 ASP A 39 -0.363 4.719 -14.129 1.00 0.00 O ATOM 0 H ASP A 39 -1.117 4.582 -10.587 1.00 0.00 H new ATOM 0 HA ASP A 39 0.538 2.355 -11.145 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.562 5.290 -11.886 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.872 4.233 -12.374 1.00 0.00 H new ATOM 620 N GLN A 40 1.702 4.792 -9.230 1.00 0.00 N ATOM 621 CA GLN A 40 2.746 5.161 -8.290 1.00 0.00 C ATOM 622 C GLN A 40 2.408 4.644 -6.891 1.00 0.00 C ATOM 623 O GLN A 40 3.007 5.071 -5.906 1.00 0.00 O ATOM 624 CB GLN A 40 2.961 6.676 -8.278 1.00 0.00 C ATOM 625 CG GLN A 40 4.452 7.018 -8.331 1.00 0.00 C ATOM 626 CD GLN A 40 4.938 7.127 -9.777 1.00 0.00 C ATOM 627 OE1 GLN A 40 4.476 6.433 -10.668 1.00 0.00 O ATOM 628 NE2 GLN A 40 5.895 8.033 -9.960 1.00 0.00 N ATOM 0 H GLN A 40 0.941 5.467 -9.308 1.00 0.00 H new ATOM 0 HA GLN A 40 3.678 4.697 -8.611 1.00 0.00 H new ATOM 0 HB2 GLN A 40 2.450 7.126 -9.129 1.00 0.00 H new ATOM 0 HB3 GLN A 40 2.518 7.103 -7.378 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.632 7.959 -7.811 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.024 6.251 -7.808 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.237 8.581 -9.170 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.287 8.180 -10.890 1.00 0.00 H new ATOM 637 N GLN A 41 1.448 3.731 -6.848 1.00 0.00 N ATOM 638 CA GLN A 41 1.023 3.151 -5.586 1.00 0.00 C ATOM 639 C GLN A 41 1.794 1.858 -5.309 1.00 0.00 C ATOM 640 O GLN A 41 1.793 0.943 -6.131 1.00 0.00 O ATOM 641 CB GLN A 41 -0.486 2.902 -5.577 1.00 0.00 C ATOM 642 CG GLN A 41 -1.244 4.145 -5.108 1.00 0.00 C ATOM 643 CD GLN A 41 -1.739 3.976 -3.670 1.00 0.00 C ATOM 644 OE1 GLN A 41 -1.158 3.266 -2.865 1.00 0.00 O ATOM 645 NE2 GLN A 41 -2.842 4.666 -3.392 1.00 0.00 N ATOM 0 H GLN A 41 0.953 3.379 -7.667 1.00 0.00 H new ATOM 0 HA GLN A 41 1.245 3.861 -4.790 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -0.818 2.625 -6.577 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -0.716 2.062 -4.921 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -0.594 5.017 -5.172 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -2.091 4.329 -5.769 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -3.279 5.242 -4.112 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -3.251 4.620 -2.459 1.00 0.00 H new ATOM 654 N ARG A 42 2.433 1.825 -4.149 1.00 0.00 N ATOM 655 CA ARG A 42 3.205 0.660 -3.753 1.00 0.00 C ATOM 656 C ARG A 42 2.884 0.274 -2.308 1.00 0.00 C ATOM 657 O ARG A 42 3.435 0.851 -1.371 1.00 0.00 O ATOM 658 CB ARG A 42 4.707 0.925 -3.882 1.00 0.00 C ATOM 659 CG ARG A 42 5.425 -0.273 -4.507 1.00 0.00 C ATOM 660 CD ARG A 42 6.938 -0.049 -4.541 1.00 0.00 C ATOM 661 NE ARG A 42 7.637 -1.342 -4.713 1.00 0.00 N ATOM 662 CZ ARG A 42 8.885 -1.465 -5.183 1.00 0.00 C ATOM 663 NH1 ARG A 42 9.580 -0.373 -5.531 1.00 0.00 N ATOM 664 NH2 ARG A 42 9.439 -2.679 -5.305 1.00 0.00 N ATOM 0 H ARG A 42 2.432 2.587 -3.471 1.00 0.00 H new ATOM 0 HA ARG A 42 2.933 -0.159 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 42 4.872 1.812 -4.494 1.00 0.00 H new ATOM 0 HB3 ARG A 42 5.129 1.133 -2.899 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.200 -1.174 -3.937 1.00 0.00 H new ATOM 0 HG3 ARG A 42 5.055 -0.436 -5.519 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.196 0.625 -5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.264 0.430 -3.618 1.00 0.00 H new ATOM 0 HE ARG A 42 7.137 -2.193 -4.457 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.158 0.551 -5.438 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.531 -0.466 -5.889 1.00 0.00 H new ATOM 0 HH21 ARG A 42 8.910 -3.510 -5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 42 10.390 -2.772 -5.663 1.00 0.00 H new ATOM 678 N LEU A 43 1.995 -0.697 -2.172 1.00 0.00 N ATOM 679 CA LEU A 43 1.593 -1.166 -0.857 1.00 0.00 C ATOM 680 C LEU A 43 2.393 -2.421 -0.502 1.00 0.00 C ATOM 681 O LEU A 43 2.332 -3.423 -1.211 1.00 0.00 O ATOM 682 CB LEU A 43 0.078 -1.366 -0.798 1.00 0.00 C ATOM 683 CG LEU A 43 -0.759 -0.408 -1.649 1.00 0.00 C ATOM 684 CD1 LEU A 43 -2.231 -0.823 -1.655 1.00 0.00 C ATOM 685 CD2 LEU A 43 -0.573 1.039 -1.188 1.00 0.00 C ATOM 0 H LEU A 43 1.541 -1.173 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 43 1.821 -0.416 -0.100 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.146 -2.387 -1.109 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -0.241 -1.271 0.240 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.404 -0.466 -2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.803 -0.126 -2.267 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.324 -1.828 -2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -2.616 -0.812 -0.635 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.178 1.699 -1.809 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -0.885 1.132 -0.148 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.477 1.318 -1.279 1.00 0.00 H new ATOM 697 N ILE A 44 3.126 -2.326 0.598 1.00 0.00 N ATOM 698 CA ILE A 44 3.938 -3.440 1.056 1.00 0.00 C ATOM 699 C ILE A 44 3.235 -4.128 2.228 1.00 0.00 C ATOM 700 O ILE A 44 2.640 -3.465 3.076 1.00 0.00 O ATOM 701 CB ILE A 44 5.358 -2.972 1.380 1.00 0.00 C ATOM 702 CG1 ILE A 44 6.064 -2.453 0.125 1.00 0.00 C ATOM 703 CG2 ILE A 44 6.157 -4.079 2.071 1.00 0.00 C ATOM 704 CD1 ILE A 44 6.155 -0.926 0.139 1.00 0.00 C ATOM 0 H ILE A 44 3.174 -1.494 1.186 1.00 0.00 H new ATOM 0 HA ILE A 44 4.046 -4.183 0.266 1.00 0.00 H new ATOM 0 HB ILE A 44 5.291 -2.139 2.080 1.00 0.00 H new ATOM 0 HG12 ILE A 44 7.065 -2.880 0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 44 5.523 -2.781 -0.763 1.00 0.00 H new ATOM 0 HG21 ILE A 44 7.162 -3.720 2.290 1.00 0.00 H new ATOM 0 HG22 ILE A 44 5.661 -4.359 3.000 1.00 0.00 H new ATOM 0 HG23 ILE A 44 6.217 -4.948 1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 44 6.661 -0.583 -0.764 1.00 0.00 H new ATOM 0 HD12 ILE A 44 5.152 -0.502 0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 44 6.718 -0.603 1.015 1.00 0.00 H new ATOM 716 N PHE A 45 3.328 -5.450 2.239 1.00 0.00 N ATOM 717 CA PHE A 45 2.708 -6.236 3.292 1.00 0.00 C ATOM 718 C PHE A 45 3.426 -7.574 3.473 1.00 0.00 C ATOM 719 O PHE A 45 3.599 -8.325 2.513 1.00 0.00 O ATOM 720 CB PHE A 45 1.264 -6.499 2.863 1.00 0.00 C ATOM 721 CG PHE A 45 0.299 -6.724 4.030 1.00 0.00 C ATOM 722 CD1 PHE A 45 0.596 -7.640 4.991 1.00 0.00 C ATOM 723 CD2 PHE A 45 -0.854 -6.007 4.107 1.00 0.00 C ATOM 724 CE1 PHE A 45 -0.299 -7.849 6.073 1.00 0.00 C ATOM 725 CE2 PHE A 45 -1.749 -6.217 5.190 1.00 0.00 C ATOM 726 CZ PHE A 45 -1.452 -7.133 6.151 1.00 0.00 C ATOM 0 H PHE A 45 3.824 -5.997 1.535 1.00 0.00 H new ATOM 0 HA PHE A 45 2.759 -5.696 4.238 1.00 0.00 H new ATOM 0 HB2 PHE A 45 0.912 -5.654 2.272 1.00 0.00 H new ATOM 0 HB3 PHE A 45 1.242 -7.374 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 45 1.513 -8.208 4.931 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -1.089 -5.278 3.345 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.064 -8.577 6.835 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -2.666 -5.649 5.250 1.00 0.00 H new ATOM 0 HZ PHE A 45 -2.132 -7.291 6.975 1.00 0.00 H new ATOM 736 N ALA A 46 3.826 -7.835 4.709 1.00 0.00 N ATOM 737 CA ALA A 46 4.522 -9.070 5.027 1.00 0.00 C ATOM 738 C ALA A 46 5.795 -9.164 4.184 1.00 0.00 C ATOM 739 O ALA A 46 6.366 -10.243 4.034 1.00 0.00 O ATOM 740 CB ALA A 46 3.584 -10.256 4.800 1.00 0.00 C ATOM 0 H ALA A 46 3.681 -7.211 5.503 1.00 0.00 H new ATOM 0 HA ALA A 46 4.819 -9.085 6.076 1.00 0.00 H new ATOM 0 HB1 ALA A 46 4.105 -11.183 5.038 1.00 0.00 H new ATOM 0 HB2 ALA A 46 2.709 -10.156 5.443 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.268 -10.275 3.757 1.00 0.00 H new ATOM 746 N GLY A 47 6.203 -8.019 3.655 1.00 0.00 N ATOM 747 CA GLY A 47 7.399 -7.959 2.832 1.00 0.00 C ATOM 748 C GLY A 47 7.053 -8.131 1.351 1.00 0.00 C ATOM 749 O GLY A 47 7.891 -7.889 0.482 1.00 0.00 O ATOM 0 H GLY A 47 5.726 -7.126 3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 47 7.902 -7.004 2.983 1.00 0.00 H new ATOM 0 HA3 GLY A 47 8.096 -8.738 3.139 1.00 0.00 H new ATOM 753 N LYS A 48 5.819 -8.548 1.108 1.00 0.00 N ATOM 754 CA LYS A 48 5.353 -8.755 -0.252 1.00 0.00 C ATOM 755 C LYS A 48 4.446 -7.592 -0.658 1.00 0.00 C ATOM 756 O LYS A 48 3.606 -7.151 0.126 1.00 0.00 O ATOM 757 CB LYS A 48 4.691 -10.127 -0.389 1.00 0.00 C ATOM 758 CG LYS A 48 3.978 -10.260 -1.735 1.00 0.00 C ATOM 759 CD LYS A 48 3.521 -11.701 -1.975 1.00 0.00 C ATOM 760 CE LYS A 48 2.143 -11.949 -1.360 1.00 0.00 C ATOM 761 NZ LYS A 48 2.163 -13.164 -0.516 1.00 0.00 N ATOM 0 H LYS A 48 5.128 -8.748 1.831 1.00 0.00 H new ATOM 0 HA LYS A 48 6.194 -8.762 -0.946 1.00 0.00 H new ATOM 0 HB2 LYS A 48 5.444 -10.909 -0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.976 -10.272 0.421 1.00 0.00 H new ATOM 0 HG2 LYS A 48 3.117 -9.593 -1.762 1.00 0.00 H new ATOM 0 HG3 LYS A 48 4.647 -9.949 -2.537 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.487 -11.902 -3.046 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.245 -12.392 -1.544 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.845 -11.088 -0.761 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.400 -12.060 -2.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.220 -13.318 -0.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.426 -13.986 -1.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.857 -13.044 0.249 1.00 0.00 H new ATOM 775 N GLN A 49 4.647 -7.126 -1.883 1.00 0.00 N ATOM 776 CA GLN A 49 3.858 -6.021 -2.402 1.00 0.00 C ATOM 777 C GLN A 49 2.530 -6.537 -2.962 1.00 0.00 C ATOM 778 O GLN A 49 2.483 -7.601 -3.577 1.00 0.00 O ATOM 779 CB GLN A 49 4.637 -5.244 -3.464 1.00 0.00 C ATOM 780 CG GLN A 49 4.956 -6.130 -4.669 1.00 0.00 C ATOM 781 CD GLN A 49 5.199 -5.286 -5.922 1.00 0.00 C ATOM 782 OE1 GLN A 49 4.323 -4.594 -6.415 1.00 0.00 O ATOM 783 NE2 GLN A 49 6.433 -5.381 -6.408 1.00 0.00 N ATOM 0 H GLN A 49 5.344 -7.493 -2.530 1.00 0.00 H new ATOM 0 HA GLN A 49 3.643 -5.335 -1.583 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.056 -4.380 -3.787 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.563 -4.862 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.838 -6.735 -4.457 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.131 -6.820 -4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 49 7.118 -5.979 -5.946 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.694 -4.856 -7.242 1.00 0.00 H new ATOM 792 N LEU A 50 1.485 -5.756 -2.730 1.00 0.00 N ATOM 793 CA LEU A 50 0.161 -6.119 -3.205 1.00 0.00 C ATOM 794 C LEU A 50 0.073 -5.860 -4.710 1.00 0.00 C ATOM 795 O LEU A 50 0.245 -4.727 -5.159 1.00 0.00 O ATOM 796 CB LEU A 50 -0.916 -5.397 -2.393 1.00 0.00 C ATOM 797 CG LEU A 50 -0.687 -5.335 -0.881 1.00 0.00 C ATOM 798 CD1 LEU A 50 -1.780 -4.513 -0.194 1.00 0.00 C ATOM 799 CD2 LEU A 50 -0.567 -6.740 -0.287 1.00 0.00 C ATOM 0 H LEU A 50 1.529 -4.874 -2.220 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.018 -7.184 -3.054 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -1.005 -4.378 -2.769 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.872 -5.888 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 50 0.260 -4.827 -0.699 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -1.594 -4.485 0.880 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.775 -3.497 -0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.751 -4.970 -0.382 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.405 -6.668 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -1.485 -7.296 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.274 -7.259 -0.747 1.00 0.00 H new ATOM 811 N GLU A 51 -0.194 -6.926 -5.448 1.00 0.00 N ATOM 812 CA GLU A 51 -0.306 -6.828 -6.894 1.00 0.00 C ATOM 813 C GLU A 51 -1.747 -6.505 -7.293 1.00 0.00 C ATOM 814 O GLU A 51 -2.653 -7.305 -7.064 1.00 0.00 O ATOM 815 CB GLU A 51 0.176 -8.113 -7.569 1.00 0.00 C ATOM 816 CG GLU A 51 1.554 -8.525 -7.047 1.00 0.00 C ATOM 817 CD GLU A 51 1.441 -9.693 -6.065 1.00 0.00 C ATOM 818 OE1 GLU A 51 0.567 -10.555 -6.307 1.00 0.00 O ATOM 819 OE2 GLU A 51 2.232 -9.699 -5.097 1.00 0.00 O ATOM 0 H GLU A 51 -0.336 -7.863 -5.072 1.00 0.00 H new ATOM 0 HA GLU A 51 0.335 -6.015 -7.235 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -0.540 -8.914 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 51 0.221 -7.966 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 51 2.194 -8.808 -7.883 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.029 -7.676 -6.555 1.00 0.00 H new ATOM 826 N ASP A 52 -1.915 -5.331 -7.884 1.00 0.00 N ATOM 827 CA ASP A 52 -3.230 -4.892 -8.317 1.00 0.00 C ATOM 828 C ASP A 52 -3.916 -6.028 -9.079 1.00 0.00 C ATOM 829 O ASP A 52 -3.592 -6.289 -10.236 1.00 0.00 O ATOM 830 CB ASP A 52 -3.127 -3.689 -9.257 1.00 0.00 C ATOM 831 CG ASP A 52 -2.224 -3.894 -10.474 1.00 0.00 C ATOM 832 OD1 ASP A 52 -0.990 -3.864 -10.276 1.00 0.00 O ATOM 833 OD2 ASP A 52 -2.787 -4.075 -11.575 1.00 0.00 O ATOM 0 H ASP A 52 -1.161 -4.670 -8.073 1.00 0.00 H new ATOM 0 HA ASP A 52 -3.800 -4.611 -7.432 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -4.128 -3.433 -9.605 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.758 -2.834 -8.690 1.00 0.00 H new ATOM 838 N GLY A 53 -4.852 -6.673 -8.398 1.00 0.00 N ATOM 839 CA GLY A 53 -5.587 -7.776 -8.995 1.00 0.00 C ATOM 840 C GLY A 53 -5.876 -8.866 -7.961 1.00 0.00 C ATOM 841 O GLY A 53 -6.710 -9.740 -8.192 1.00 0.00 O ATOM 0 H GLY A 53 -5.118 -6.453 -7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -6.524 -7.409 -9.413 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -5.012 -8.196 -9.820 1.00 0.00 H new ATOM 845 N ARG A 54 -5.172 -8.777 -6.842 1.00 0.00 N ATOM 846 CA ARG A 54 -5.343 -9.746 -5.772 1.00 0.00 C ATOM 847 C ARG A 54 -6.305 -9.202 -4.714 1.00 0.00 C ATOM 848 O ARG A 54 -6.343 -7.998 -4.464 1.00 0.00 O ATOM 849 CB ARG A 54 -4.004 -10.079 -5.112 1.00 0.00 C ATOM 850 CG ARG A 54 -3.182 -11.026 -5.987 1.00 0.00 C ATOM 851 CD ARG A 54 -3.591 -12.482 -5.754 1.00 0.00 C ATOM 852 NE ARG A 54 -2.987 -13.351 -6.789 1.00 0.00 N ATOM 853 CZ ARG A 54 -3.426 -13.430 -8.052 1.00 0.00 C ATOM 854 NH1 ARG A 54 -4.476 -12.695 -8.444 1.00 0.00 N ATOM 855 NH2 ARG A 54 -2.817 -14.245 -8.924 1.00 0.00 N ATOM 0 H ARG A 54 -4.482 -8.050 -6.653 1.00 0.00 H new ATOM 0 HA ARG A 54 -5.755 -10.655 -6.209 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -3.443 -9.161 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -4.178 -10.537 -4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -3.321 -10.769 -7.037 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -2.122 -10.903 -5.766 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -3.269 -12.805 -4.764 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -4.677 -12.572 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 54 -2.187 -13.925 -6.524 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -4.941 -12.075 -7.780 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.810 -12.755 -9.406 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -2.019 -14.806 -8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.152 -14.305 -9.886 1.00 0.00 H new ATOM 869 N THR A 55 -7.058 -10.115 -4.119 1.00 0.00 N ATOM 870 CA THR A 55 -8.017 -9.743 -3.094 1.00 0.00 C ATOM 871 C THR A 55 -7.364 -9.788 -1.711 1.00 0.00 C ATOM 872 O THR A 55 -6.450 -10.578 -1.478 1.00 0.00 O ATOM 873 CB THR A 55 -9.230 -10.666 -3.223 1.00 0.00 C ATOM 874 OG1 THR A 55 -8.760 -11.925 -2.750 1.00 0.00 O ATOM 875 CG2 THR A 55 -9.610 -10.935 -4.680 1.00 0.00 C ATOM 0 H THR A 55 -7.023 -11.113 -4.328 1.00 0.00 H new ATOM 0 HA THR A 55 -8.357 -8.716 -3.225 1.00 0.00 H new ATOM 0 HB THR A 55 -10.079 -10.223 -2.702 1.00 0.00 H new ATOM 0 HG1 THR A 55 -9.484 -12.583 -2.797 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.477 -11.595 -4.714 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.852 -9.993 -5.173 1.00 0.00 H new ATOM 0 HG23 THR A 55 -8.773 -11.408 -5.193 1.00 0.00 H new ATOM 883 N LEU A 56 -7.857 -8.930 -0.831 1.00 0.00 N ATOM 884 CA LEU A 56 -7.333 -8.862 0.523 1.00 0.00 C ATOM 885 C LEU A 56 -7.559 -10.205 1.221 1.00 0.00 C ATOM 886 O LEU A 56 -6.794 -10.583 2.107 1.00 0.00 O ATOM 887 CB LEU A 56 -7.935 -7.671 1.271 1.00 0.00 C ATOM 888 CG LEU A 56 -7.817 -6.312 0.576 1.00 0.00 C ATOM 889 CD1 LEU A 56 -8.990 -5.403 0.947 1.00 0.00 C ATOM 890 CD2 LEU A 56 -6.467 -5.658 0.876 1.00 0.00 C ATOM 0 H LEU A 56 -8.614 -8.276 -1.029 1.00 0.00 H new ATOM 0 HA LEU A 56 -6.257 -8.688 0.507 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -8.991 -7.875 1.449 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.455 -7.600 2.247 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.864 -6.474 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.882 -4.444 0.440 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -9.925 -5.872 0.640 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -9.000 -5.244 2.025 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.409 -4.694 0.370 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.365 -5.510 1.951 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.663 -6.303 0.521 1.00 0.00 H new ATOM 902 N SER A 57 -8.612 -10.887 0.795 1.00 0.00 N ATOM 903 CA SER A 57 -8.947 -12.179 1.369 1.00 0.00 C ATOM 904 C SER A 57 -7.817 -13.176 1.109 1.00 0.00 C ATOM 905 O SER A 57 -7.342 -13.836 2.032 1.00 0.00 O ATOM 906 CB SER A 57 -10.264 -12.709 0.799 1.00 0.00 C ATOM 907 OG SER A 57 -10.564 -14.018 1.275 1.00 0.00 O ATOM 0 H SER A 57 -9.244 -10.570 0.060 1.00 0.00 H new ATOM 0 HA SER A 57 -9.072 -12.054 2.445 1.00 0.00 H new ATOM 0 HB2 SER A 57 -11.074 -12.031 1.068 1.00 0.00 H new ATOM 0 HB3 SER A 57 -10.208 -12.723 -0.289 1.00 0.00 H new ATOM 0 HG SER A 57 -11.413 -14.320 0.889 1.00 0.00 H new ATOM 913 N ASP A 58 -7.418 -13.254 -0.153 1.00 0.00 N ATOM 914 CA ASP A 58 -6.352 -14.161 -0.545 1.00 0.00 C ATOM 915 C ASP A 58 -5.053 -13.745 0.150 1.00 0.00 C ATOM 916 O ASP A 58 -4.082 -14.500 0.162 1.00 0.00 O ATOM 917 CB ASP A 58 -6.117 -14.111 -2.056 1.00 0.00 C ATOM 918 CG ASP A 58 -5.828 -15.464 -2.710 1.00 0.00 C ATOM 919 OD1 ASP A 58 -5.438 -16.385 -1.960 1.00 0.00 O ATOM 920 OD2 ASP A 58 -6.003 -15.546 -3.945 1.00 0.00 O ATOM 0 H ASP A 58 -7.813 -12.705 -0.916 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.644 -15.171 -0.258 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.996 -13.675 -2.531 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.281 -13.441 -2.257 1.00 0.00 H new ATOM 925 N TYR A 59 -5.078 -12.545 0.712 1.00 0.00 N ATOM 926 CA TYR A 59 -3.915 -12.020 1.406 1.00 0.00 C ATOM 927 C TYR A 59 -4.036 -12.234 2.916 1.00 0.00 C ATOM 928 O TYR A 59 -3.057 -12.089 3.648 1.00 0.00 O ATOM 929 CB TYR A 59 -3.893 -10.518 1.116 1.00 0.00 C ATOM 930 CG TYR A 59 -3.092 -10.137 -0.130 1.00 0.00 C ATOM 931 CD1 TYR A 59 -1.812 -10.622 -0.304 1.00 0.00 C ATOM 932 CD2 TYR A 59 -3.651 -9.308 -1.082 1.00 0.00 C ATOM 933 CE1 TYR A 59 -1.060 -10.263 -1.479 1.00 0.00 C ATOM 934 CE2 TYR A 59 -2.898 -8.949 -2.256 1.00 0.00 C ATOM 935 CZ TYR A 59 -1.639 -9.444 -2.397 1.00 0.00 C ATOM 936 OH TYR A 59 -0.928 -9.105 -3.505 1.00 0.00 O ATOM 0 H TYR A 59 -5.885 -11.922 0.701 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.008 -12.523 1.071 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.918 -10.166 0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.474 -9.998 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -1.374 -11.270 0.440 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -4.653 -8.929 -0.946 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -0.058 -10.636 -1.628 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.324 -8.301 -3.008 1.00 0.00 H new ATOM 0 HH TYR A 59 -1.318 -9.542 -4.290 1.00 0.00 H new ATOM 946 N ASN A 60 -5.245 -12.576 3.338 1.00 0.00 N ATOM 947 CA ASN A 60 -5.505 -12.811 4.749 1.00 0.00 C ATOM 948 C ASN A 60 -5.077 -11.583 5.554 1.00 0.00 C ATOM 949 O ASN A 60 -4.209 -11.677 6.420 1.00 0.00 O ATOM 950 CB ASN A 60 -4.712 -14.014 5.262 1.00 0.00 C ATOM 951 CG ASN A 60 -5.291 -14.530 6.582 1.00 0.00 C ATOM 952 OD1 ASN A 60 -6.440 -14.294 6.920 1.00 0.00 O ATOM 953 ND2 ASN A 60 -4.435 -15.244 7.305 1.00 0.00 N ATOM 0 H ASN A 60 -6.054 -12.696 2.729 1.00 0.00 H new ATOM 0 HA ASN A 60 -6.571 -13.005 4.868 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.729 -14.810 4.517 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.669 -13.733 5.404 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.725 -15.633 8.202 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.487 -15.404 6.963 1.00 0.00 H new ATOM 960 N ILE A 61 -5.705 -10.459 5.240 1.00 0.00 N ATOM 961 CA ILE A 61 -5.399 -9.215 5.924 1.00 0.00 C ATOM 962 C ILE A 61 -6.099 -9.199 7.284 1.00 0.00 C ATOM 963 O ILE A 61 -7.194 -9.742 7.429 1.00 0.00 O ATOM 964 CB ILE A 61 -5.749 -8.017 5.038 1.00 0.00 C ATOM 965 CG1 ILE A 61 -5.094 -8.143 3.662 1.00 0.00 C ATOM 966 CG2 ILE A 61 -5.385 -6.701 5.728 1.00 0.00 C ATOM 967 CD1 ILE A 61 -3.605 -7.800 3.729 1.00 0.00 C ATOM 0 H ILE A 61 -6.424 -10.384 4.521 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.329 -9.139 6.116 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.828 -8.011 4.881 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.220 -9.159 3.287 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.592 -7.479 2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.644 -5.865 5.078 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.937 -6.616 6.664 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.315 -6.682 5.934 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -3.164 -7.898 2.737 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -3.483 -6.776 4.081 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -3.105 -8.482 4.417 1.00 0.00 H new ATOM 979 N GLN A 62 -5.439 -8.573 8.247 1.00 0.00 N ATOM 980 CA GLN A 62 -5.985 -8.480 9.590 1.00 0.00 C ATOM 981 C GLN A 62 -6.737 -7.160 9.768 1.00 0.00 C ATOM 982 O GLN A 62 -6.348 -6.139 9.203 1.00 0.00 O ATOM 983 CB GLN A 62 -4.882 -8.628 10.641 1.00 0.00 C ATOM 984 CG GLN A 62 -3.686 -9.395 10.076 1.00 0.00 C ATOM 985 CD GLN A 62 -2.943 -10.147 11.183 1.00 0.00 C ATOM 986 OE1 GLN A 62 -2.888 -9.725 12.326 1.00 0.00 O ATOM 987 NE2 GLN A 62 -2.379 -11.282 10.780 1.00 0.00 N ATOM 0 H GLN A 62 -4.531 -8.125 8.124 1.00 0.00 H new ATOM 0 HA GLN A 62 -6.690 -9.299 9.732 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -4.560 -7.642 10.977 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -5.274 -9.150 11.514 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -4.027 -10.100 9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -3.005 -8.702 9.583 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.464 -11.576 9.807 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.861 -11.858 11.444 1.00 0.00 H new ATOM 996 N LYS A 63 -7.801 -7.223 10.554 1.00 0.00 N ATOM 997 CA LYS A 63 -8.613 -6.046 10.812 1.00 0.00 C ATOM 998 C LYS A 63 -7.705 -4.892 11.243 1.00 0.00 C ATOM 999 O LYS A 63 -6.935 -5.025 12.193 1.00 0.00 O ATOM 1000 CB LYS A 63 -9.719 -6.368 11.820 1.00 0.00 C ATOM 1001 CG LYS A 63 -9.188 -7.245 12.955 1.00 0.00 C ATOM 1002 CD LYS A 63 -9.866 -8.616 12.951 1.00 0.00 C ATOM 1003 CE LYS A 63 -9.056 -9.631 13.762 1.00 0.00 C ATOM 1004 NZ LYS A 63 -9.162 -9.341 15.209 1.00 0.00 N ATOM 0 H LYS A 63 -8.120 -8.072 11.021 1.00 0.00 H new ATOM 0 HA LYS A 63 -9.125 -5.729 9.903 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -10.123 -5.442 12.230 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -10.539 -6.878 11.315 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -8.110 -7.368 12.851 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -9.361 -6.752 13.912 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -10.870 -8.530 13.367 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -9.975 -8.969 11.925 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -9.418 -10.639 13.560 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.011 -9.600 13.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.607 -10.039 15.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -8.795 -8.387 15.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -10.159 -9.394 15.501 1.00 0.00 H new ATOM 1018 N GLU A 64 -7.827 -3.785 10.526 1.00 0.00 N ATOM 1019 CA GLU A 64 -7.028 -2.609 10.822 1.00 0.00 C ATOM 1020 C GLU A 64 -5.540 -2.964 10.823 1.00 0.00 C ATOM 1021 O GLU A 64 -4.817 -2.623 11.758 1.00 0.00 O ATOM 1022 CB GLU A 64 -7.444 -1.986 12.156 1.00 0.00 C ATOM 1023 CG GLU A 64 -8.953 -1.734 12.198 1.00 0.00 C ATOM 1024 CD GLU A 64 -9.685 -2.903 12.858 1.00 0.00 C ATOM 1025 OE1 GLU A 64 -9.190 -3.363 13.909 1.00 0.00 O ATOM 1026 OE2 GLU A 64 -10.725 -3.311 12.295 1.00 0.00 O ATOM 0 H GLU A 64 -8.468 -3.678 9.740 1.00 0.00 H new ATOM 0 HA GLU A 64 -7.204 -1.868 10.042 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -7.159 -2.647 12.974 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.911 -1.047 12.305 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.157 -0.815 12.748 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -9.330 -1.589 11.185 1.00 0.00 H new ATOM 1033 N SER A 65 -5.127 -3.646 9.764 1.00 0.00 N ATOM 1034 CA SER A 65 -3.738 -4.052 9.631 1.00 0.00 C ATOM 1035 C SER A 65 -2.864 -2.834 9.325 1.00 0.00 C ATOM 1036 O SER A 65 -3.377 -1.741 9.092 1.00 0.00 O ATOM 1037 CB SER A 65 -3.576 -5.109 8.538 1.00 0.00 C ATOM 1038 OG SER A 65 -2.225 -5.217 8.095 1.00 0.00 O ATOM 0 H SER A 65 -5.730 -3.927 8.991 1.00 0.00 H new ATOM 0 HA SER A 65 -3.418 -4.493 10.575 1.00 0.00 H new ATOM 0 HB2 SER A 65 -3.912 -6.075 8.915 1.00 0.00 H new ATOM 0 HB3 SER A 65 -4.216 -4.857 7.692 1.00 0.00 H new ATOM 0 HG SER A 65 -2.207 -5.579 7.185 1.00 0.00 H new ATOM 1044 N THR A 66 -1.559 -3.064 9.337 1.00 0.00 N ATOM 1045 CA THR A 66 -0.610 -1.998 9.063 1.00 0.00 C ATOM 1046 C THR A 66 0.016 -2.184 7.679 1.00 0.00 C ATOM 1047 O THR A 66 0.832 -3.083 7.478 1.00 0.00 O ATOM 1048 CB THR A 66 0.419 -1.979 10.196 1.00 0.00 C ATOM 1049 OG1 THR A 66 -0.223 -1.245 11.235 1.00 0.00 O ATOM 1050 CG2 THR A 66 1.652 -1.140 9.854 1.00 0.00 C ATOM 0 H THR A 66 -1.137 -3.972 9.532 1.00 0.00 H new ATOM 0 HA THR A 66 -1.104 -1.027 9.035 1.00 0.00 H new ATOM 0 HB THR A 66 0.727 -3.000 10.424 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.374 -1.185 12.010 1.00 0.00 H new ATOM 0 HG21 THR A 66 2.350 -1.160 10.691 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.137 -1.550 8.968 1.00 0.00 H new ATOM 0 HG23 THR A 66 1.349 -0.111 9.659 1.00 0.00 H new ATOM 1058 N LEU A 67 -0.391 -1.320 6.760 1.00 0.00 N ATOM 1059 CA LEU A 67 0.119 -1.378 5.401 1.00 0.00 C ATOM 1060 C LEU A 67 1.050 -0.186 5.159 1.00 0.00 C ATOM 1061 O LEU A 67 0.867 0.877 5.749 1.00 0.00 O ATOM 1062 CB LEU A 67 -1.034 -1.470 4.399 1.00 0.00 C ATOM 1063 CG LEU A 67 -1.935 -2.700 4.528 1.00 0.00 C ATOM 1064 CD1 LEU A 67 -2.856 -2.580 5.743 1.00 0.00 C ATOM 1065 CD2 LEU A 67 -2.720 -2.941 3.236 1.00 0.00 C ATOM 0 H LEU A 67 -1.068 -0.576 6.930 1.00 0.00 H new ATOM 0 HA LEU A 67 0.711 -2.281 5.255 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -1.652 -0.578 4.503 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.617 -1.453 3.392 1.00 0.00 H new ATOM 0 HG LEU A 67 -1.302 -3.572 4.689 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -3.486 -3.467 5.811 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -2.255 -2.491 6.648 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.485 -1.696 5.637 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -3.353 -3.821 3.353 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -3.342 -2.072 3.021 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -2.024 -3.102 2.412 1.00 0.00 H new ATOM 1077 N HIS A 68 2.025 -0.406 4.290 1.00 0.00 N ATOM 1078 CA HIS A 68 2.984 0.636 3.964 1.00 0.00 C ATOM 1079 C HIS A 68 2.703 1.168 2.557 1.00 0.00 C ATOM 1080 O HIS A 68 2.915 0.466 1.569 1.00 0.00 O ATOM 1081 CB HIS A 68 4.417 0.126 4.130 1.00 0.00 C ATOM 1082 CG HIS A 68 5.424 1.211 4.428 1.00 0.00 C ATOM 1083 ND1 HIS A 68 6.777 1.067 4.179 1.00 0.00 N ATOM 1084 CD2 HIS A 68 5.259 2.458 4.957 1.00 0.00 C ATOM 1085 CE1 HIS A 68 7.392 2.183 4.546 1.00 0.00 C ATOM 1086 NE2 HIS A 68 6.449 3.043 5.028 1.00 0.00 N ATOM 0 H HIS A 68 2.172 -1.289 3.802 1.00 0.00 H new ATOM 0 HA HIS A 68 2.874 1.468 4.659 1.00 0.00 H new ATOM 0 HB2 HIS A 68 4.440 -0.608 4.936 1.00 0.00 H new ATOM 0 HB3 HIS A 68 4.715 -0.392 3.219 1.00 0.00 H new ATOM 0 HD2 HIS A 68 4.321 2.895 5.265 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.452 2.377 4.476 1.00 0.00 H new ATOM 0 HE2 HIS A 68 6.629 3.982 5.385 1.00 0.00 H new ATOM 1094 N LEU A 69 2.230 2.405 2.511 1.00 0.00 N ATOM 1095 CA LEU A 69 1.919 3.040 1.241 1.00 0.00 C ATOM 1096 C LEU A 69 3.120 3.868 0.782 1.00 0.00 C ATOM 1097 O LEU A 69 3.314 4.994 1.237 1.00 0.00 O ATOM 1098 CB LEU A 69 0.622 3.845 1.350 1.00 0.00 C ATOM 1099 CG LEU A 69 0.463 4.997 0.356 1.00 0.00 C ATOM 1100 CD1 LEU A 69 0.538 4.491 -1.086 1.00 0.00 C ATOM 1101 CD2 LEU A 69 -0.825 5.778 0.623 1.00 0.00 C ATOM 0 H LEU A 69 2.055 2.984 3.332 1.00 0.00 H new ATOM 0 HA LEU A 69 1.738 2.288 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.218 3.162 1.222 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.553 4.250 2.360 1.00 0.00 H new ATOM 0 HG LEU A 69 1.294 5.688 0.498 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.422 5.330 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.504 4.015 -1.255 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.258 3.767 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.913 6.591 -0.098 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.682 5.111 0.525 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.799 6.189 1.632 1.00 0.00 H new ATOM 1113 N VAL A 70 3.896 3.278 -0.115 1.00 0.00 N ATOM 1114 CA VAL A 70 5.074 3.947 -0.643 1.00 0.00 C ATOM 1115 C VAL A 70 4.874 4.221 -2.134 1.00 0.00 C ATOM 1116 O VAL A 70 4.045 3.582 -2.781 1.00 0.00 O ATOM 1117 CB VAL A 70 6.323 3.115 -0.348 1.00 0.00 C ATOM 1118 CG1 VAL A 70 7.550 3.701 -1.050 1.00 0.00 C ATOM 1119 CG2 VAL A 70 6.559 2.994 1.158 1.00 0.00 C ATOM 0 H VAL A 70 3.732 2.344 -0.490 1.00 0.00 H new ATOM 0 HA VAL A 70 5.219 4.910 -0.154 1.00 0.00 H new ATOM 0 HB VAL A 70 6.158 2.112 -0.742 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.424 3.091 -0.824 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.383 3.711 -2.127 1.00 0.00 H new ATOM 0 HG13 VAL A 70 7.718 4.719 -0.700 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.453 2.398 1.339 1.00 0.00 H new ATOM 0 HG22 VAL A 70 6.692 3.987 1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.700 2.511 1.623 1.00 0.00 H new ATOM 1129 N LEU A 71 5.649 5.170 -2.638 1.00 0.00 N ATOM 1130 CA LEU A 71 5.569 5.535 -4.042 1.00 0.00 C ATOM 1131 C LEU A 71 6.492 4.626 -4.855 1.00 0.00 C ATOM 1132 O LEU A 71 7.508 4.154 -4.347 1.00 0.00 O ATOM 1133 CB LEU A 71 5.856 7.027 -4.224 1.00 0.00 C ATOM 1134 CG LEU A 71 7.180 7.530 -3.644 1.00 0.00 C ATOM 1135 CD1 LEU A 71 7.838 8.545 -4.580 1.00 0.00 C ATOM 1136 CD2 LEU A 71 6.981 8.095 -2.236 1.00 0.00 C ATOM 0 H LEU A 71 6.336 5.697 -2.099 1.00 0.00 H new ATOM 0 HA LEU A 71 4.558 5.380 -4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 71 5.840 7.253 -5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 71 5.044 7.592 -3.766 1.00 0.00 H new ATOM 0 HG LEU A 71 7.860 6.682 -3.559 1.00 0.00 H new ATOM 0 HD11 LEU A 71 8.777 8.886 -4.144 1.00 0.00 H new ATOM 0 HD12 LEU A 71 8.035 8.076 -5.544 1.00 0.00 H new ATOM 0 HD13 LEU A 71 7.172 9.396 -4.719 1.00 0.00 H new ATOM 0 HD21 LEU A 71 7.937 8.446 -1.846 1.00 0.00 H new ATOM 0 HD22 LEU A 71 6.277 8.927 -2.274 1.00 0.00 H new ATOM 0 HD23 LEU A 71 6.587 7.316 -1.584 1.00 0.00 H new ATOM 1148 N ARG A 72 6.107 4.410 -6.104 1.00 0.00 N ATOM 1149 CA ARG A 72 6.888 3.566 -6.993 1.00 0.00 C ATOM 1150 C ARG A 72 7.953 4.396 -7.713 1.00 0.00 C ATOM 1151 O ARG A 72 7.936 5.624 -7.648 1.00 0.00 O ATOM 1152 CB ARG A 72 5.995 2.883 -8.030 1.00 0.00 C ATOM 1153 CG ARG A 72 6.629 1.583 -8.529 1.00 0.00 C ATOM 1154 CD ARG A 72 5.639 0.419 -8.434 1.00 0.00 C ATOM 1155 NE ARG A 72 5.658 -0.364 -9.690 1.00 0.00 N ATOM 1156 CZ ARG A 72 6.702 -1.091 -10.108 1.00 0.00 C ATOM 1157 NH1 ARG A 72 7.821 -1.139 -9.372 1.00 0.00 N ATOM 1158 NH2 ARG A 72 6.629 -1.769 -11.261 1.00 0.00 N ATOM 0 H ARG A 72 5.264 4.805 -6.522 1.00 0.00 H new ATOM 0 HA ARG A 72 7.369 2.800 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 72 5.020 2.671 -7.592 1.00 0.00 H new ATOM 0 HB3 ARG A 72 5.828 3.556 -8.871 1.00 0.00 H new ATOM 0 HG2 ARG A 72 6.954 1.706 -9.562 1.00 0.00 H new ATOM 0 HG3 ARG A 72 7.518 1.358 -7.940 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.899 -0.222 -7.592 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.635 0.799 -8.248 1.00 0.00 H new ATOM 0 HE ARG A 72 4.822 -0.349 -10.275 1.00 0.00 H new ATOM 0 HH11 ARG A 72 7.877 -0.622 -8.494 1.00 0.00 H new ATOM 0 HH12 ARG A 72 8.617 -1.692 -9.689 1.00 0.00 H new ATOM 0 HH21 ARG A 72 5.778 -1.732 -11.821 1.00 0.00 H new ATOM 0 HH22 ARG A 72 7.425 -2.322 -11.578 1.00 0.00 H new ATOM 1172 N LEU A 73 8.852 3.691 -8.384 1.00 0.00 N ATOM 1173 CA LEU A 73 9.922 4.348 -9.116 1.00 0.00 C ATOM 1174 C LEU A 73 9.363 4.928 -10.417 1.00 0.00 C ATOM 1175 O LEU A 73 9.382 6.141 -10.619 1.00 0.00 O ATOM 1176 CB LEU A 73 11.095 3.388 -9.326 1.00 0.00 C ATOM 1177 CG LEU A 73 12.130 3.339 -8.199 1.00 0.00 C ATOM 1178 CD1 LEU A 73 11.928 2.100 -7.324 1.00 0.00 C ATOM 1179 CD2 LEU A 73 13.552 3.421 -8.757 1.00 0.00 C ATOM 0 H LEU A 73 8.862 2.672 -8.436 1.00 0.00 H new ATOM 0 HA LEU A 73 10.321 5.183 -8.540 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.696 2.384 -9.470 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.605 3.664 -10.249 1.00 0.00 H new ATOM 0 HG LEU A 73 11.984 4.211 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU A 73 12.676 2.089 -6.531 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.932 2.125 -6.883 1.00 0.00 H new ATOM 0 HD13 LEU A 73 12.033 1.203 -7.934 1.00 0.00 H new ATOM 0 HD21 LEU A 73 14.268 3.384 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 73 13.728 2.582 -9.430 1.00 0.00 H new ATOM 0 HD23 LEU A 73 13.675 4.356 -9.304 1.00 0.00 H new ATOM 1191 N ARG A 74 8.877 4.034 -11.266 1.00 0.00 N ATOM 1192 CA ARG A 74 8.313 4.442 -12.542 1.00 0.00 C ATOM 1193 C ARG A 74 6.814 4.709 -12.398 1.00 0.00 C ATOM 1194 O ARG A 74 6.346 5.083 -11.323 1.00 0.00 O ATOM 1195 CB ARG A 74 8.534 3.368 -13.609 1.00 0.00 C ATOM 1196 CG ARG A 74 8.925 3.998 -14.948 1.00 0.00 C ATOM 1197 CD ARG A 74 9.173 2.923 -16.008 1.00 0.00 C ATOM 1198 NE ARG A 74 10.622 2.814 -16.289 1.00 0.00 N ATOM 1199 CZ ARG A 74 11.137 2.160 -17.339 1.00 0.00 C ATOM 1200 NH1 ARG A 74 10.323 1.553 -18.214 1.00 0.00 N ATOM 1201 NH2 ARG A 74 12.464 2.113 -17.514 1.00 0.00 N ATOM 0 H ARG A 74 8.862 3.029 -11.095 1.00 0.00 H new ATOM 0 HA ARG A 74 8.819 5.356 -12.853 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.316 2.682 -13.283 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.625 2.779 -13.732 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.134 4.669 -15.283 1.00 0.00 H new ATOM 0 HG3 ARG A 74 9.823 4.603 -14.821 1.00 0.00 H new ATOM 0 HD2 ARG A 74 8.788 1.964 -15.662 1.00 0.00 H new ATOM 0 HD3 ARG A 74 8.634 3.171 -16.923 1.00 0.00 H new ATOM 0 HE ARG A 74 11.269 3.265 -15.643 1.00 0.00 H new ATOM 0 HH11 ARG A 74 9.312 1.589 -18.080 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.714 1.055 -19.014 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.083 2.575 -16.848 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.856 1.615 -18.313 1.00 0.00 H new ATOM 1215 N GLY A 75 6.101 4.508 -13.496 1.00 0.00 N ATOM 1216 CA GLY A 75 4.665 4.723 -13.507 1.00 0.00 C ATOM 1217 C GLY A 75 3.943 3.568 -14.205 1.00 0.00 C ATOM 1218 O GLY A 75 4.047 2.418 -13.781 1.00 0.00 O ATOM 0 H GLY A 75 6.492 4.198 -14.386 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.300 4.820 -12.484 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.438 5.660 -14.016 1.00 0.00 H new ATOM 1222 N GLY A 76 3.227 3.915 -15.264 1.00 0.00 N ATOM 1223 CA GLY A 76 2.487 2.922 -16.026 1.00 0.00 C ATOM 1224 C GLY A 76 2.176 3.431 -17.435 1.00 0.00 C ATOM 1225 O GLY A 76 1.363 4.337 -17.605 1.00 0.00 O ATOM 0 H GLY A 76 3.143 4.870 -15.613 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.066 2.001 -16.088 1.00 0.00 H new ATOM 0 HA3 GLY A 76 1.558 2.680 -15.510 1.00 0.00 H new TER 1229 GLY A 76