USER MOD reduce.3.24.130724 H: found=0, std=0, add=383, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 381 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+ -131:sc= 0.965 (180deg=-0.0638) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.713 X(o=-0.71,f=-1.1) USER MOD Single : A 21 LYS NZ :NH3+ 164:sc= -0.0358 (180deg=-0.28) USER MOD Single : A 27 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.652) USER MOD Single : A 28 ASN : amide:sc= -1.79 K(o=-1.8,f=-8.6!) USER MOD Single : A 32 GLN : amide:sc= -1.03 X(o=-1,f=-0.98) USER MOD Single : A 34 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00863) USER MOD Single : A 42 LYS NZ :NH3+ -154:sc= -0.129 (180deg=-0.538) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 24.764 10.242 -10.021 1.00 0.00 N ATOM 2 CA MET A 1 24.172 11.186 -9.080 1.00 0.00 C ATOM 3 C MET A 1 23.370 10.455 -8.008 1.00 0.00 C ATOM 4 O MET A 1 23.333 9.226 -7.978 1.00 0.00 O ATOM 5 CB MET A 1 23.273 12.179 -9.819 1.00 0.00 C ATOM 6 CG MET A 1 22.126 11.520 -10.568 1.00 0.00 C ATOM 7 SD MET A 1 22.563 11.082 -12.262 1.00 0.00 S ATOM 8 CE MET A 1 21.541 9.633 -12.512 1.00 0.00 C ATOM 0 H1 MET A 1 25.772 10.463 -10.147 1.00 0.00 H new ATOM 0 H2 MET A 1 24.665 9.275 -9.651 1.00 0.00 H new ATOM 0 H3 MET A 1 24.277 10.314 -10.937 1.00 0.00 H new ATOM 0 HA MET A 1 24.981 11.732 -8.594 1.00 0.00 H new ATOM 0 HB2 MET A 1 22.866 12.891 -9.101 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.878 12.748 -10.525 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.816 10.622 -10.033 1.00 0.00 H new ATOM 0 HG3 MET A 1 21.270 12.195 -10.581 1.00 0.00 H new ATOM 0 HE1 MET A 1 21.700 9.245 -13.518 1.00 0.00 H new ATOM 0 HE2 MET A 1 21.808 8.869 -11.782 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.492 9.902 -12.389 1.00 0.00 H new ATOM 18 N GLY A 2 22.729 11.221 -7.130 1.00 0.00 N ATOM 19 CA GLY A 2 21.937 10.628 -6.069 1.00 0.00 C ATOM 20 C GLY A 2 22.650 10.650 -4.731 1.00 0.00 C ATOM 21 O GLY A 2 23.873 10.778 -4.674 1.00 0.00 O ATOM 0 H GLY A 2 22.744 12.241 -7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 2 20.992 11.164 -5.982 1.00 0.00 H new ATOM 0 HA3 GLY A 2 21.696 9.598 -6.332 1.00 0.00 H new ATOM 25 N VAL A 3 21.884 10.525 -3.652 1.00 0.00 N ATOM 26 CA VAL A 3 22.451 10.532 -2.308 1.00 0.00 C ATOM 27 C VAL A 3 22.510 9.122 -1.730 1.00 0.00 C ATOM 28 O VAL A 3 23.585 8.533 -1.615 1.00 0.00 O ATOM 29 CB VAL A 3 21.634 11.430 -1.360 1.00 0.00 C ATOM 30 CG1 VAL A 3 22.221 11.397 0.043 1.00 0.00 C ATOM 31 CG2 VAL A 3 21.579 12.854 -1.891 1.00 0.00 C ATOM 0 H VAL A 3 20.870 10.418 -3.682 1.00 0.00 H new ATOM 0 HA VAL A 3 23.462 10.930 -2.392 1.00 0.00 H new ATOM 0 HB VAL A 3 20.615 11.046 -1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 3 21.631 12.037 0.699 1.00 0.00 H new ATOM 0 HG12 VAL A 3 22.203 10.375 0.421 1.00 0.00 H new ATOM 0 HG13 VAL A 3 23.250 11.756 0.015 1.00 0.00 H new ATOM 0 HG21 VAL A 3 20.998 13.475 -1.209 1.00 0.00 H new ATOM 0 HG22 VAL A 3 22.591 13.252 -1.971 1.00 0.00 H new ATOM 0 HG23 VAL A 3 21.109 12.858 -2.874 1.00 0.00 H new ATOM 41 N SER A 4 21.349 8.587 -1.369 1.00 0.00 N ATOM 42 CA SER A 4 21.269 7.247 -0.799 1.00 0.00 C ATOM 43 C SER A 4 20.161 6.438 -1.466 1.00 0.00 C ATOM 44 O SER A 4 18.998 6.508 -1.067 1.00 0.00 O ATOM 45 CB SER A 4 21.022 7.325 0.709 1.00 0.00 C ATOM 46 OG SER A 4 22.099 7.966 1.370 1.00 0.00 O ATOM 0 H SER A 4 20.450 9.061 -1.461 1.00 0.00 H new ATOM 0 HA SER A 4 22.220 6.745 -0.979 1.00 0.00 H new ATOM 0 HB2 SER A 4 20.097 7.869 0.901 1.00 0.00 H new ATOM 0 HB3 SER A 4 20.890 6.321 1.111 1.00 0.00 H new ATOM 0 HG SER A 4 21.916 8.005 2.332 1.00 0.00 H new ATOM 52 N VAL A 5 20.530 5.671 -2.487 1.00 0.00 N ATOM 53 CA VAL A 5 19.569 4.847 -3.211 1.00 0.00 C ATOM 54 C VAL A 5 19.863 3.363 -3.020 1.00 0.00 C ATOM 55 O VAL A 5 19.826 2.586 -3.973 1.00 0.00 O ATOM 56 CB VAL A 5 19.574 5.171 -4.717 1.00 0.00 C ATOM 57 CG1 VAL A 5 18.890 6.504 -4.979 1.00 0.00 C ATOM 58 CG2 VAL A 5 20.997 5.177 -5.255 1.00 0.00 C ATOM 0 H VAL A 5 21.488 5.603 -2.832 1.00 0.00 H new ATOM 0 HA VAL A 5 18.585 5.075 -2.801 1.00 0.00 H new ATOM 0 HB VAL A 5 19.015 4.395 -5.240 1.00 0.00 H new ATOM 0 HG11 VAL A 5 18.903 6.716 -6.048 1.00 0.00 H new ATOM 0 HG12 VAL A 5 17.858 6.458 -4.631 1.00 0.00 H new ATOM 0 HG13 VAL A 5 19.418 7.295 -4.446 1.00 0.00 H new ATOM 0 HG21 VAL A 5 20.982 5.408 -6.320 1.00 0.00 H new ATOM 0 HG22 VAL A 5 21.582 5.931 -4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 5 21.448 4.196 -5.102 1.00 0.00 H new ATOM 68 N MET A 6 20.154 2.978 -1.782 1.00 0.00 N ATOM 69 CA MET A 6 20.453 1.586 -1.466 1.00 0.00 C ATOM 70 C MET A 6 19.333 0.667 -1.945 1.00 0.00 C ATOM 71 O MET A 6 19.566 -0.503 -2.247 1.00 0.00 O ATOM 72 CB MET A 6 20.658 1.416 0.041 1.00 0.00 C ATOM 73 CG MET A 6 21.851 2.187 0.582 1.00 0.00 C ATOM 74 SD MET A 6 21.659 2.635 2.318 1.00 0.00 S ATOM 75 CE MET A 6 23.231 2.093 2.984 1.00 0.00 C ATOM 0 H MET A 6 20.189 3.610 -0.982 1.00 0.00 H new ATOM 0 HA MET A 6 21.372 1.311 -1.984 1.00 0.00 H new ATOM 0 HB2 MET A 6 19.758 1.743 0.561 1.00 0.00 H new ATOM 0 HB3 MET A 6 20.788 0.357 0.265 1.00 0.00 H new ATOM 0 HG2 MET A 6 22.752 1.585 0.464 1.00 0.00 H new ATOM 0 HG3 MET A 6 21.992 3.092 -0.009 1.00 0.00 H new ATOM 0 HE1 MET A 6 23.265 2.303 4.053 1.00 0.00 H new ATOM 0 HE2 MET A 6 23.345 1.021 2.821 1.00 0.00 H new ATOM 0 HE3 MET A 6 24.041 2.625 2.484 1.00 0.00 H new ATOM 85 N GLU A 7 18.120 1.206 -2.011 1.00 0.00 N ATOM 86 CA GLU A 7 16.965 0.432 -2.453 1.00 0.00 C ATOM 87 C GLU A 7 16.789 0.533 -3.966 1.00 0.00 C ATOM 88 O GLU A 7 16.645 -0.477 -4.653 1.00 0.00 O ATOM 89 CB GLU A 7 15.697 0.918 -1.747 1.00 0.00 C ATOM 90 CG GLU A 7 14.664 -0.174 -1.532 1.00 0.00 C ATOM 91 CD GLU A 7 13.660 -0.259 -2.666 1.00 0.00 C ATOM 92 OE1 GLU A 7 14.069 -0.607 -3.794 1.00 0.00 O ATOM 93 OE2 GLU A 7 12.468 0.023 -2.426 1.00 0.00 O ATOM 0 H GLU A 7 17.911 2.174 -1.765 1.00 0.00 H new ATOM 0 HA GLU A 7 17.139 -0.612 -2.194 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.969 1.344 -0.781 1.00 0.00 H new ATOM 0 HB3 GLU A 7 15.249 1.720 -2.334 1.00 0.00 H new ATOM 0 HG2 GLU A 7 15.171 -1.133 -1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 7 14.135 0.010 -0.597 1.00 0.00 H new ATOM 100 N ALA A 8 16.800 1.760 -4.476 1.00 0.00 N ATOM 101 CA ALA A 8 16.643 1.994 -5.906 1.00 0.00 C ATOM 102 C ALA A 8 17.647 1.174 -6.710 1.00 0.00 C ATOM 103 O ALA A 8 17.380 0.795 -7.851 1.00 0.00 O ATOM 104 CB ALA A 8 16.799 3.475 -6.219 1.00 0.00 C ATOM 0 H ALA A 8 16.916 2.607 -3.920 1.00 0.00 H new ATOM 0 HA ALA A 8 15.640 1.676 -6.193 1.00 0.00 H new ATOM 0 HB1 ALA A 8 16.679 3.635 -7.291 1.00 0.00 H new ATOM 0 HB2 ALA A 8 16.040 4.043 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 8 17.789 3.810 -5.911 1.00 0.00 H new ATOM 110 N ILE A 9 18.800 0.904 -6.108 1.00 0.00 N ATOM 111 CA ILE A 9 19.843 0.129 -6.769 1.00 0.00 C ATOM 112 C ILE A 9 19.614 -1.368 -6.586 1.00 0.00 C ATOM 113 O ILE A 9 19.983 -2.173 -7.441 1.00 0.00 O ATOM 114 CB ILE A 9 21.240 0.493 -6.233 1.00 0.00 C ATOM 115 CG1 ILE A 9 21.514 1.985 -6.433 1.00 0.00 C ATOM 116 CG2 ILE A 9 22.306 -0.344 -6.924 1.00 0.00 C ATOM 117 CD1 ILE A 9 22.703 2.491 -5.647 1.00 0.00 C ATOM 0 H ILE A 9 19.036 1.210 -5.164 1.00 0.00 H new ATOM 0 HA ILE A 9 19.795 0.375 -7.830 1.00 0.00 H new ATOM 0 HB ILE A 9 21.271 0.277 -5.165 1.00 0.00 H new ATOM 0 HG12 ILE A 9 21.681 2.177 -7.493 1.00 0.00 H new ATOM 0 HG13 ILE A 9 20.629 2.551 -6.142 1.00 0.00 H new ATOM 0 HG21 ILE A 9 23.288 -0.076 -6.535 1.00 0.00 H new ATOM 0 HG22 ILE A 9 22.117 -1.401 -6.736 1.00 0.00 H new ATOM 0 HG23 ILE A 9 22.277 -0.156 -7.997 1.00 0.00 H new ATOM 0 HD11 ILE A 9 22.838 3.556 -5.837 1.00 0.00 H new ATOM 0 HD12 ILE A 9 22.530 2.331 -4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 9 23.599 1.951 -5.954 1.00 0.00 H new ATOM 129 N LYS A 10 19.001 -1.734 -5.465 1.00 0.00 N ATOM 130 CA LYS A 10 18.719 -3.134 -5.169 1.00 0.00 C ATOM 131 C LYS A 10 17.877 -3.263 -3.904 1.00 0.00 C ATOM 132 O LYS A 10 18.108 -2.563 -2.919 1.00 0.00 O ATOM 133 CB LYS A 10 20.025 -3.915 -5.007 1.00 0.00 C ATOM 134 CG LYS A 10 20.750 -3.625 -3.704 1.00 0.00 C ATOM 135 CD LYS A 10 22.224 -3.984 -3.794 1.00 0.00 C ATOM 136 CE LYS A 10 23.051 -3.198 -2.788 1.00 0.00 C ATOM 137 NZ LYS A 10 24.499 -3.529 -2.882 1.00 0.00 N ATOM 0 H LYS A 10 18.690 -1.080 -4.746 1.00 0.00 H new ATOM 0 HA LYS A 10 18.155 -3.550 -6.004 1.00 0.00 H new ATOM 0 HB2 LYS A 10 19.810 -4.982 -5.063 1.00 0.00 H new ATOM 0 HB3 LYS A 10 20.686 -3.679 -5.841 1.00 0.00 H new ATOM 0 HG2 LYS A 10 20.646 -2.569 -3.456 1.00 0.00 H new ATOM 0 HG3 LYS A 10 20.286 -4.189 -2.895 1.00 0.00 H new ATOM 0 HD2 LYS A 10 22.351 -5.052 -3.616 1.00 0.00 H new ATOM 0 HD3 LYS A 10 22.588 -3.783 -4.802 1.00 0.00 H new ATOM 0 HE2 LYS A 10 22.911 -2.130 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 10 22.695 -3.410 -1.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 25.028 -2.973 -2.181 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 24.636 -4.543 -2.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 24.846 -3.303 -3.836 1.00 0.00 H new ATOM 151 N GLU A 11 16.900 -4.165 -3.939 1.00 0.00 N ATOM 152 CA GLU A 11 16.024 -4.385 -2.794 1.00 0.00 C ATOM 153 C GLU A 11 15.912 -5.873 -2.473 1.00 0.00 C ATOM 154 O GLU A 11 15.631 -6.689 -3.351 1.00 0.00 O ATOM 155 CB GLU A 11 14.635 -3.805 -3.067 1.00 0.00 C ATOM 156 CG GLU A 11 13.881 -4.526 -4.172 1.00 0.00 C ATOM 157 CD GLU A 11 13.038 -5.673 -3.650 1.00 0.00 C ATOM 158 OE1 GLU A 11 12.537 -5.570 -2.511 1.00 0.00 O ATOM 159 OE2 GLU A 11 12.880 -6.674 -4.381 1.00 0.00 O ATOM 0 H GLU A 11 16.696 -4.754 -4.746 1.00 0.00 H new ATOM 0 HA GLU A 11 16.459 -3.877 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.047 -3.846 -2.150 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.736 -2.753 -3.334 1.00 0.00 H new ATOM 0 HG2 GLU A 11 13.239 -3.815 -4.692 1.00 0.00 H new ATOM 0 HG3 GLU A 11 14.593 -4.907 -4.904 1.00 0.00 H new ATOM 166 N VAL A 12 16.136 -6.218 -1.209 1.00 0.00 N ATOM 167 CA VAL A 12 16.060 -7.607 -0.771 1.00 0.00 C ATOM 168 C VAL A 12 15.212 -7.740 0.489 1.00 0.00 C ATOM 169 O VAL A 12 14.767 -6.744 1.060 1.00 0.00 O ATOM 170 CB VAL A 12 17.460 -8.187 -0.498 1.00 0.00 C ATOM 171 CG1 VAL A 12 18.191 -8.458 -1.805 1.00 0.00 C ATOM 172 CG2 VAL A 12 18.264 -7.244 0.385 1.00 0.00 C ATOM 0 H VAL A 12 16.372 -5.555 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 12 15.594 -8.169 -1.580 1.00 0.00 H new ATOM 0 HB VAL A 12 17.345 -9.134 0.029 1.00 0.00 H new ATOM 0 HG11 VAL A 12 19.178 -8.867 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 12 17.622 -9.174 -2.399 1.00 0.00 H new ATOM 0 HG13 VAL A 12 18.297 -7.527 -2.362 1.00 0.00 H new ATOM 0 HG21 VAL A 12 19.251 -7.669 0.568 1.00 0.00 H new ATOM 0 HG22 VAL A 12 18.371 -6.281 -0.114 1.00 0.00 H new ATOM 0 HG23 VAL A 12 17.747 -7.105 1.335 1.00 0.00 H new ATOM 182 N LYS A 13 14.992 -8.978 0.919 1.00 0.00 N ATOM 183 CA LYS A 13 14.199 -9.244 2.113 1.00 0.00 C ATOM 184 C LYS A 13 15.094 -9.385 3.340 1.00 0.00 C ATOM 185 O LYS A 13 14.624 -9.306 4.476 1.00 0.00 O ATOM 186 CB LYS A 13 13.368 -10.515 1.926 1.00 0.00 C ATOM 187 CG LYS A 13 12.082 -10.293 1.149 1.00 0.00 C ATOM 188 CD LYS A 13 10.934 -9.910 2.068 1.00 0.00 C ATOM 189 CE LYS A 13 10.262 -11.138 2.661 1.00 0.00 C ATOM 190 NZ LYS A 13 8.982 -10.795 3.341 1.00 0.00 N ATOM 0 H LYS A 13 15.352 -9.813 0.458 1.00 0.00 H new ATOM 0 HA LYS A 13 13.529 -8.399 2.269 1.00 0.00 H new ATOM 0 HB2 LYS A 13 13.971 -11.260 1.408 1.00 0.00 H new ATOM 0 HB3 LYS A 13 13.124 -10.927 2.905 1.00 0.00 H new ATOM 0 HG2 LYS A 13 12.234 -9.508 0.409 1.00 0.00 H new ATOM 0 HG3 LYS A 13 11.825 -11.200 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 13 11.306 -9.274 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 13 10.201 -9.325 1.512 1.00 0.00 H new ATOM 0 HE2 LYS A 13 10.071 -11.864 1.871 1.00 0.00 H new ATOM 0 HE3 LYS A 13 10.936 -11.613 3.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 8.554 -11.659 3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 9.168 -10.121 4.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 8.329 -10.365 2.655 1.00 0.00 H new ATOM 204 N LEU A 14 16.384 -9.592 3.105 1.00 0.00 N ATOM 205 CA LEU A 14 17.346 -9.742 4.192 1.00 0.00 C ATOM 206 C LEU A 14 17.743 -8.383 4.759 1.00 0.00 C ATOM 207 O LEU A 14 17.320 -8.007 5.852 1.00 0.00 O ATOM 208 CB LEU A 14 18.589 -10.485 3.700 1.00 0.00 C ATOM 209 CG LEU A 14 18.560 -12.007 3.841 1.00 0.00 C ATOM 210 CD1 LEU A 14 18.606 -12.409 5.307 1.00 0.00 C ATOM 211 CD2 LEU A 14 17.323 -12.582 3.167 1.00 0.00 C ATOM 0 H LEU A 14 16.789 -9.660 2.171 1.00 0.00 H new ATOM 0 HA LEU A 14 16.874 -10.322 4.985 1.00 0.00 H new ATOM 0 HB2 LEU A 14 18.742 -10.240 2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 14 19.454 -10.106 4.245 1.00 0.00 H new ATOM 0 HG LEU A 14 19.441 -12.415 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 14 18.584 -13.496 5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 14 19.522 -12.030 5.760 1.00 0.00 H new ATOM 0 HD13 LEU A 14 17.744 -11.990 5.826 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.319 -13.666 3.277 1.00 0.00 H new ATOM 0 HD22 LEU A 14 16.429 -12.167 3.632 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.333 -12.325 2.108 1.00 0.00 H new ATOM 223 N ALA A 15 18.557 -7.648 4.007 1.00 0.00 N ATOM 224 CA ALA A 15 19.008 -6.329 4.432 1.00 0.00 C ATOM 225 C ALA A 15 19.610 -6.380 5.832 1.00 0.00 C ATOM 226 O ALA A 15 19.558 -5.401 6.576 1.00 0.00 O ATOM 227 CB ALA A 15 17.855 -5.338 4.388 1.00 0.00 C ATOM 0 H ALA A 15 18.917 -7.945 3.100 1.00 0.00 H new ATOM 0 HA ALA A 15 19.784 -5.998 3.742 1.00 0.00 H new ATOM 0 HB1 ALA A 15 18.206 -4.357 4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 15 17.471 -5.272 3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 15 17.061 -5.674 5.054 1.00 0.00 H new ATOM 233 N GLU A 16 20.180 -7.528 6.185 1.00 0.00 N ATOM 234 CA GLU A 16 20.791 -7.706 7.497 1.00 0.00 C ATOM 235 C GLU A 16 22.145 -7.006 7.566 1.00 0.00 C ATOM 236 O GLU A 16 22.560 -6.539 8.626 1.00 0.00 O ATOM 237 CB GLU A 16 20.957 -9.194 7.810 1.00 0.00 C ATOM 238 CG GLU A 16 19.642 -9.914 8.058 1.00 0.00 C ATOM 239 CD GLU A 16 19.784 -11.070 9.030 1.00 0.00 C ATOM 240 OE1 GLU A 16 20.182 -12.169 8.591 1.00 0.00 O ATOM 241 OE2 GLU A 16 19.497 -10.874 10.230 1.00 0.00 O ATOM 0 H GLU A 16 20.231 -8.348 5.581 1.00 0.00 H new ATOM 0 HA GLU A 16 20.131 -7.258 8.240 1.00 0.00 H new ATOM 0 HB2 GLU A 16 21.474 -9.676 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 16 21.593 -9.303 8.689 1.00 0.00 H new ATOM 0 HG2 GLU A 16 18.911 -9.205 8.447 1.00 0.00 H new ATOM 0 HG3 GLU A 16 19.252 -10.286 7.111 1.00 0.00 H new ATOM 248 N GLU A 17 22.829 -6.940 6.428 1.00 0.00 N ATOM 249 CA GLU A 17 24.137 -6.299 6.360 1.00 0.00 C ATOM 250 C GLU A 17 24.034 -4.814 6.694 1.00 0.00 C ATOM 251 O GLU A 17 24.996 -4.204 7.159 1.00 0.00 O ATOM 252 CB GLU A 17 24.746 -6.478 4.967 1.00 0.00 C ATOM 253 CG GLU A 17 24.837 -7.929 4.525 1.00 0.00 C ATOM 254 CD GLU A 17 25.571 -8.093 3.208 1.00 0.00 C ATOM 255 OE1 GLU A 17 25.568 -7.136 2.405 1.00 0.00 O ATOM 256 OE2 GLU A 17 26.148 -9.176 2.981 1.00 0.00 O ATOM 0 H GLU A 17 22.499 -7.322 5.542 1.00 0.00 H new ATOM 0 HA GLU A 17 24.784 -6.775 7.096 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.148 -5.923 4.244 1.00 0.00 H new ATOM 0 HB3 GLU A 17 25.744 -6.041 4.957 1.00 0.00 H new ATOM 0 HG2 GLU A 17 25.346 -8.508 5.295 1.00 0.00 H new ATOM 0 HG3 GLU A 17 23.832 -8.340 4.430 1.00 0.00 H new ATOM 263 N GLN A 18 22.859 -4.239 6.453 1.00 0.00 N ATOM 264 CA GLN A 18 22.630 -2.826 6.727 1.00 0.00 C ATOM 265 C GLN A 18 22.730 -2.538 8.221 1.00 0.00 C ATOM 266 O GLN A 18 23.109 -1.440 8.628 1.00 0.00 O ATOM 267 CB GLN A 18 21.258 -2.399 6.204 1.00 0.00 C ATOM 268 CG GLN A 18 20.980 -0.913 6.366 1.00 0.00 C ATOM 269 CD GLN A 18 20.296 -0.588 7.679 1.00 0.00 C ATOM 270 OE1 GLN A 18 20.903 -0.013 8.583 1.00 0.00 O ATOM 271 NE2 GLN A 18 19.024 -0.954 7.792 1.00 0.00 N ATOM 0 H GLN A 18 22.052 -4.730 6.069 1.00 0.00 H new ATOM 0 HA GLN A 18 23.401 -2.253 6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 18 21.183 -2.661 5.149 1.00 0.00 H new ATOM 0 HB3 GLN A 18 20.487 -2.964 6.728 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.919 -0.363 6.304 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.355 -0.572 5.541 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.559 -1.428 7.018 1.00 0.00 H new ATOM 0 HE22 GLN A 18 18.512 -0.760 8.653 1.00 0.00 H new ATOM 280 N ALA A 19 22.388 -3.532 9.034 1.00 0.00 N ATOM 281 CA ALA A 19 22.441 -3.385 10.484 1.00 0.00 C ATOM 282 C ALA A 19 23.873 -3.502 10.995 1.00 0.00 C ATOM 283 O ALA A 19 24.361 -2.625 11.709 1.00 0.00 O ATOM 284 CB ALA A 19 21.554 -4.425 11.152 1.00 0.00 C ATOM 0 H ALA A 19 22.071 -4.447 8.714 1.00 0.00 H new ATOM 0 HA ALA A 19 22.072 -2.391 10.738 1.00 0.00 H new ATOM 0 HB1 ALA A 19 21.603 -4.304 12.234 1.00 0.00 H new ATOM 0 HB2 ALA A 19 20.525 -4.294 10.818 1.00 0.00 H new ATOM 0 HB3 ALA A 19 21.898 -5.424 10.883 1.00 0.00 H new ATOM 290 N VAL A 20 24.542 -4.590 10.627 1.00 0.00 N ATOM 291 CA VAL A 20 25.918 -4.820 11.048 1.00 0.00 C ATOM 292 C VAL A 20 26.846 -3.737 10.511 1.00 0.00 C ATOM 293 O VAL A 20 27.812 -3.349 11.169 1.00 0.00 O ATOM 294 CB VAL A 20 26.426 -6.196 10.577 1.00 0.00 C ATOM 295 CG1 VAL A 20 25.603 -7.312 11.203 1.00 0.00 C ATOM 296 CG2 VAL A 20 26.393 -6.284 9.059 1.00 0.00 C ATOM 0 H VAL A 20 24.153 -5.326 10.038 1.00 0.00 H new ATOM 0 HA VAL A 20 25.924 -4.792 12.138 1.00 0.00 H new ATOM 0 HB VAL A 20 27.460 -6.314 10.902 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.976 -8.276 10.859 1.00 0.00 H new ATOM 0 HG12 VAL A 20 25.683 -7.258 12.289 1.00 0.00 H new ATOM 0 HG13 VAL A 20 24.559 -7.202 10.911 1.00 0.00 H new ATOM 0 HG21 VAL A 20 26.755 -7.262 8.743 1.00 0.00 H new ATOM 0 HG22 VAL A 20 25.370 -6.145 8.709 1.00 0.00 H new ATOM 0 HG23 VAL A 20 27.030 -5.507 8.636 1.00 0.00 H new ATOM 306 N LYS A 21 26.547 -3.251 9.311 1.00 0.00 N ATOM 307 CA LYS A 21 27.353 -2.210 8.684 1.00 0.00 C ATOM 308 C LYS A 21 27.215 -0.889 9.435 1.00 0.00 C ATOM 309 O LYS A 21 28.139 -0.076 9.453 1.00 0.00 O ATOM 310 CB LYS A 21 26.937 -2.024 7.224 1.00 0.00 C ATOM 311 CG LYS A 21 27.518 -3.070 6.288 1.00 0.00 C ATOM 312 CD LYS A 21 28.654 -2.501 5.453 1.00 0.00 C ATOM 313 CE LYS A 21 29.881 -2.212 6.304 1.00 0.00 C ATOM 314 NZ LYS A 21 30.478 -3.458 6.858 1.00 0.00 N ATOM 0 H LYS A 21 25.752 -3.562 8.753 1.00 0.00 H new ATOM 0 HA LYS A 21 28.397 -2.522 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 21 25.849 -2.054 7.158 1.00 0.00 H new ATOM 0 HB3 LYS A 21 27.250 -1.035 6.889 1.00 0.00 H new ATOM 0 HG2 LYS A 21 27.881 -3.918 6.869 1.00 0.00 H new ATOM 0 HG3 LYS A 21 26.735 -3.446 5.630 1.00 0.00 H new ATOM 0 HD2 LYS A 21 28.915 -3.206 4.664 1.00 0.00 H new ATOM 0 HD3 LYS A 21 28.324 -1.584 4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 21 30.625 -1.689 5.703 1.00 0.00 H new ATOM 0 HE3 LYS A 21 29.607 -1.546 7.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 31.442 -3.261 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 29.897 -3.799 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 30.513 -4.186 6.116 1.00 0.00 H new ATOM 328 N GLU A 22 26.057 -0.684 10.055 1.00 0.00 N ATOM 329 CA GLU A 22 25.800 0.538 10.807 1.00 0.00 C ATOM 330 C GLU A 22 26.532 0.517 12.146 1.00 0.00 C ATOM 331 O GLU A 22 27.333 1.404 12.442 1.00 0.00 O ATOM 332 CB GLU A 22 24.298 0.716 11.037 1.00 0.00 C ATOM 333 CG GLU A 22 23.938 2.024 11.722 1.00 0.00 C ATOM 334 CD GLU A 22 24.285 3.238 10.882 1.00 0.00 C ATOM 335 OE1 GLU A 22 23.767 3.345 9.751 1.00 0.00 O ATOM 336 OE2 GLU A 22 25.075 4.080 11.357 1.00 0.00 O ATOM 0 H GLU A 22 25.283 -1.348 10.051 1.00 0.00 H new ATOM 0 HA GLU A 22 26.172 1.379 10.222 1.00 0.00 H new ATOM 0 HB2 GLU A 22 23.783 0.664 10.077 1.00 0.00 H new ATOM 0 HB3 GLU A 22 23.931 -0.114 11.641 1.00 0.00 H new ATOM 0 HG2 GLU A 22 22.871 2.033 11.942 1.00 0.00 H new ATOM 0 HG3 GLU A 22 24.461 2.086 12.676 1.00 0.00 H new ATOM 343 N ILE A 23 26.249 -0.502 12.951 1.00 0.00 N ATOM 344 CA ILE A 23 26.880 -0.640 14.258 1.00 0.00 C ATOM 345 C ILE A 23 28.397 -0.727 14.130 1.00 0.00 C ATOM 346 O ILE A 23 29.130 -0.253 14.997 1.00 0.00 O ATOM 347 CB ILE A 23 26.366 -1.887 15.002 1.00 0.00 C ATOM 348 CG1 ILE A 23 26.675 -3.151 14.197 1.00 0.00 C ATOM 349 CG2 ILE A 23 24.872 -1.770 15.264 1.00 0.00 C ATOM 350 CD1 ILE A 23 27.977 -3.813 14.588 1.00 0.00 C ATOM 0 H ILE A 23 25.587 -1.244 12.721 1.00 0.00 H new ATOM 0 HA ILE A 23 26.617 0.249 14.831 1.00 0.00 H new ATOM 0 HB ILE A 23 26.878 -1.956 15.962 1.00 0.00 H new ATOM 0 HG12 ILE A 23 25.861 -3.864 14.328 1.00 0.00 H new ATOM 0 HG13 ILE A 23 26.709 -2.898 13.137 1.00 0.00 H new ATOM 0 HG21 ILE A 23 24.524 -2.659 15.790 1.00 0.00 H new ATOM 0 HG22 ILE A 23 24.678 -0.888 15.874 1.00 0.00 H new ATOM 0 HG23 ILE A 23 24.342 -1.679 14.316 1.00 0.00 H new ATOM 0 HD11 ILE A 23 28.131 -4.702 13.977 1.00 0.00 H new ATOM 0 HD12 ILE A 23 28.801 -3.117 14.430 1.00 0.00 H new ATOM 0 HD13 ILE A 23 27.939 -4.098 15.639 1.00 0.00 H new ATOM 362 N GLU A 24 28.859 -1.334 13.042 1.00 0.00 N ATOM 363 CA GLU A 24 30.290 -1.482 12.800 1.00 0.00 C ATOM 364 C GLU A 24 30.906 -0.158 12.358 1.00 0.00 C ATOM 365 O GLU A 24 31.841 0.342 12.983 1.00 0.00 O ATOM 366 CB GLU A 24 30.542 -2.554 11.738 1.00 0.00 C ATOM 367 CG GLU A 24 32.013 -2.870 11.529 1.00 0.00 C ATOM 368 CD GLU A 24 32.242 -4.285 11.036 1.00 0.00 C ATOM 369 OE1 GLU A 24 32.081 -5.227 11.840 1.00 0.00 O ATOM 370 OE2 GLU A 24 32.583 -4.451 9.846 1.00 0.00 O ATOM 0 H GLU A 24 28.264 -1.731 12.315 1.00 0.00 H new ATOM 0 HA GLU A 24 30.761 -1.789 13.734 1.00 0.00 H new ATOM 0 HB2 GLU A 24 30.020 -3.467 12.025 1.00 0.00 H new ATOM 0 HB3 GLU A 24 30.112 -2.225 10.792 1.00 0.00 H new ATOM 0 HG2 GLU A 24 32.433 -2.167 10.810 1.00 0.00 H new ATOM 0 HG3 GLU A 24 32.549 -2.725 12.467 1.00 0.00 H new ATOM 377 N GLU A 25 30.376 0.404 11.276 1.00 0.00 N ATOM 378 CA GLU A 25 30.875 1.669 10.750 1.00 0.00 C ATOM 379 C GLU A 25 30.821 2.760 11.815 1.00 0.00 C ATOM 380 O GLU A 25 31.613 3.702 11.794 1.00 0.00 O ATOM 381 CB GLU A 25 30.062 2.094 9.526 1.00 0.00 C ATOM 382 CG GLU A 25 30.655 3.279 8.783 1.00 0.00 C ATOM 383 CD GLU A 25 29.967 3.541 7.457 1.00 0.00 C ATOM 384 OE1 GLU A 25 29.003 2.813 7.136 1.00 0.00 O ATOM 385 OE2 GLU A 25 30.391 4.471 6.741 1.00 0.00 O ATOM 0 H GLU A 25 29.601 0.003 10.747 1.00 0.00 H new ATOM 0 HA GLU A 25 31.914 1.526 10.454 1.00 0.00 H new ATOM 0 HB2 GLU A 25 29.983 1.249 8.842 1.00 0.00 H new ATOM 0 HB3 GLU A 25 29.049 2.344 9.842 1.00 0.00 H new ATOM 0 HG2 GLU A 25 30.581 4.169 9.408 1.00 0.00 H new ATOM 0 HG3 GLU A 25 31.716 3.099 8.608 1.00 0.00 H new ATOM 392 N ALA A 26 29.880 2.626 12.744 1.00 0.00 N ATOM 393 CA ALA A 26 29.723 3.599 13.818 1.00 0.00 C ATOM 394 C ALA A 26 30.771 3.390 14.906 1.00 0.00 C ATOM 395 O ALA A 26 31.276 4.349 15.489 1.00 0.00 O ATOM 396 CB ALA A 26 28.323 3.513 14.407 1.00 0.00 C ATOM 0 H ALA A 26 29.215 1.853 12.774 1.00 0.00 H new ATOM 0 HA ALA A 26 29.868 4.594 13.398 1.00 0.00 H new ATOM 0 HB1 ALA A 26 28.220 4.245 15.208 1.00 0.00 H new ATOM 0 HB2 ALA A 26 27.588 3.720 13.629 1.00 0.00 H new ATOM 0 HB3 ALA A 26 28.157 2.512 14.806 1.00 0.00 H new ATOM 402 N LYS A 27 31.093 2.129 15.176 1.00 0.00 N ATOM 403 CA LYS A 27 32.081 1.793 16.194 1.00 0.00 C ATOM 404 C LYS A 27 33.497 2.002 15.668 1.00 0.00 C ATOM 405 O LYS A 27 34.422 2.263 16.436 1.00 0.00 O ATOM 406 CB LYS A 27 31.903 0.342 16.647 1.00 0.00 C ATOM 407 CG LYS A 27 32.653 0.007 17.924 1.00 0.00 C ATOM 408 CD LYS A 27 32.158 -1.292 18.538 1.00 0.00 C ATOM 409 CE LYS A 27 32.811 -2.501 17.885 1.00 0.00 C ATOM 410 NZ LYS A 27 32.058 -2.956 16.684 1.00 0.00 N ATOM 0 H LYS A 27 30.684 1.323 14.704 1.00 0.00 H new ATOM 0 HA LYS A 27 31.928 2.455 17.046 1.00 0.00 H new ATOM 0 HB2 LYS A 27 30.842 0.145 16.797 1.00 0.00 H new ATOM 0 HB3 LYS A 27 32.242 -0.322 15.852 1.00 0.00 H new ATOM 0 HG2 LYS A 27 33.719 -0.074 17.710 1.00 0.00 H new ATOM 0 HG3 LYS A 27 32.532 0.819 18.641 1.00 0.00 H new ATOM 0 HD2 LYS A 27 32.371 -1.295 19.607 1.00 0.00 H new ATOM 0 HD3 LYS A 27 31.076 -1.358 18.429 1.00 0.00 H new ATOM 0 HE2 LYS A 27 33.833 -2.252 17.600 1.00 0.00 H new ATOM 0 HE3 LYS A 27 32.871 -3.316 18.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 31.742 -3.937 16.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 31.230 -2.343 16.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 32.675 -2.907 15.848 1.00 0.00 H new ATOM 424 N ASN A 28 33.658 1.888 14.354 1.00 0.00 N ATOM 425 CA ASN A 28 34.962 2.065 13.725 1.00 0.00 C ATOM 426 C ASN A 28 35.512 3.461 14.000 1.00 0.00 C ATOM 427 O ASN A 28 36.725 3.673 13.997 1.00 0.00 O ATOM 428 CB ASN A 28 34.860 1.833 12.216 1.00 0.00 C ATOM 429 CG ASN A 28 34.528 0.394 11.874 1.00 0.00 C ATOM 430 OD1 ASN A 28 33.615 0.124 11.094 1.00 0.00 O ATOM 431 ND2 ASN A 28 35.271 -0.539 12.458 1.00 0.00 N ATOM 0 H ASN A 28 32.902 1.674 13.704 1.00 0.00 H new ATOM 0 HA ASN A 28 35.647 1.332 14.152 1.00 0.00 H new ATOM 0 HB2 ASN A 28 34.094 2.488 11.801 1.00 0.00 H new ATOM 0 HB3 ASN A 28 35.804 2.107 11.744 1.00 0.00 H new ATOM 0 HD21 ASN A 28 35.095 -1.525 12.266 1.00 0.00 H new ATOM 0 HD22 ASN A 28 36.018 -0.269 13.098 1.00 0.00 H new ATOM 438 N ARG A 29 34.613 4.410 14.238 1.00 0.00 N ATOM 439 CA ARG A 29 35.008 5.786 14.514 1.00 0.00 C ATOM 440 C ARG A 29 36.012 5.843 15.661 1.00 0.00 C ATOM 441 O ARG A 29 36.860 6.734 15.713 1.00 0.00 O ATOM 442 CB ARG A 29 33.780 6.633 14.853 1.00 0.00 C ATOM 443 CG ARG A 29 33.220 6.365 16.240 1.00 0.00 C ATOM 444 CD ARG A 29 33.790 7.330 17.268 1.00 0.00 C ATOM 445 NE ARG A 29 32.946 8.509 17.440 1.00 0.00 N ATOM 446 CZ ARG A 29 31.841 8.520 18.177 1.00 0.00 C ATOM 447 NH1 ARG A 29 31.450 7.421 18.808 1.00 0.00 N ATOM 448 NH2 ARG A 29 31.125 9.632 18.286 1.00 0.00 N ATOM 0 H ARG A 29 33.605 4.251 14.245 1.00 0.00 H new ATOM 0 HA ARG A 29 35.482 6.189 13.619 1.00 0.00 H new ATOM 0 HB2 ARG A 29 34.044 7.688 14.774 1.00 0.00 H new ATOM 0 HB3 ARG A 29 33.002 6.443 14.113 1.00 0.00 H new ATOM 0 HG2 ARG A 29 32.134 6.455 16.218 1.00 0.00 H new ATOM 0 HG3 ARG A 29 33.450 5.341 16.534 1.00 0.00 H new ATOM 0 HD2 ARG A 29 33.897 6.819 18.225 1.00 0.00 H new ATOM 0 HD3 ARG A 29 34.788 7.641 16.959 1.00 0.00 H new ATOM 0 HE ARG A 29 33.220 9.371 16.969 1.00 0.00 H new ATOM 0 HH11 ARG A 29 31.998 6.565 18.728 1.00 0.00 H new ATOM 0 HH12 ARG A 29 30.601 7.432 19.373 1.00 0.00 H new ATOM 0 HH21 ARG A 29 31.423 10.480 17.803 1.00 0.00 H new ATOM 0 HH22 ARG A 29 30.277 9.639 18.852 1.00 0.00 H new ATOM 462 N ALA A 30 35.909 4.888 16.579 1.00 0.00 N ATOM 463 CA ALA A 30 36.809 4.829 17.724 1.00 0.00 C ATOM 464 C ALA A 30 38.225 4.464 17.292 1.00 0.00 C ATOM 465 O ALA A 30 39.201 4.950 17.861 1.00 0.00 O ATOM 466 CB ALA A 30 36.293 3.829 18.749 1.00 0.00 C ATOM 0 H ALA A 30 35.211 4.145 16.552 1.00 0.00 H new ATOM 0 HA ALA A 30 36.841 5.818 18.181 1.00 0.00 H new ATOM 0 HB1 ALA A 30 36.975 3.795 19.599 1.00 0.00 H new ATOM 0 HB2 ALA A 30 35.304 4.135 19.089 1.00 0.00 H new ATOM 0 HB3 ALA A 30 36.231 2.841 18.294 1.00 0.00 H new ATOM 472 N GLU A 31 38.327 3.604 16.283 1.00 0.00 N ATOM 473 CA GLU A 31 39.625 3.173 15.777 1.00 0.00 C ATOM 474 C GLU A 31 40.250 4.251 14.896 1.00 0.00 C ATOM 475 O GLU A 31 41.472 4.335 14.774 1.00 0.00 O ATOM 476 CB GLU A 31 39.482 1.872 14.985 1.00 0.00 C ATOM 477 CG GLU A 31 39.659 0.622 15.832 1.00 0.00 C ATOM 478 CD GLU A 31 38.996 -0.596 15.219 1.00 0.00 C ATOM 479 OE1 GLU A 31 38.934 -0.676 13.975 1.00 0.00 O ATOM 480 OE2 GLU A 31 38.537 -1.469 15.986 1.00 0.00 O ATOM 0 H GLU A 31 37.528 3.193 15.801 1.00 0.00 H new ATOM 0 HA GLU A 31 40.280 3.000 16.631 1.00 0.00 H new ATOM 0 HB2 GLU A 31 38.498 1.847 14.517 1.00 0.00 H new ATOM 0 HB3 GLU A 31 40.218 1.863 14.181 1.00 0.00 H new ATOM 0 HG2 GLU A 31 40.723 0.424 15.964 1.00 0.00 H new ATOM 0 HG3 GLU A 31 39.242 0.798 16.824 1.00 0.00 H new ATOM 487 N GLN A 32 39.403 5.072 14.284 1.00 0.00 N ATOM 488 CA GLN A 32 39.872 6.143 13.413 1.00 0.00 C ATOM 489 C GLN A 32 40.633 7.198 14.209 1.00 0.00 C ATOM 490 O GLN A 32 41.506 7.883 13.675 1.00 0.00 O ATOM 491 CB GLN A 32 38.693 6.790 12.684 1.00 0.00 C ATOM 492 CG GLN A 32 39.092 7.527 11.416 1.00 0.00 C ATOM 493 CD GLN A 32 39.666 8.902 11.696 1.00 0.00 C ATOM 494 OE1 GLN A 32 40.789 9.211 11.297 1.00 0.00 O ATOM 495 NE2 GLN A 32 38.897 9.736 12.386 1.00 0.00 N ATOM 0 H GLN A 32 38.389 5.016 14.375 1.00 0.00 H new ATOM 0 HA GLN A 32 40.550 5.709 12.678 1.00 0.00 H new ATOM 0 HB2 GLN A 32 37.965 6.019 12.432 1.00 0.00 H new ATOM 0 HB3 GLN A 32 38.198 7.488 13.359 1.00 0.00 H new ATOM 0 HG2 GLN A 32 39.828 6.934 10.872 1.00 0.00 H new ATOM 0 HG3 GLN A 32 38.221 7.626 10.769 1.00 0.00 H new ATOM 0 HE21 GLN A 32 37.972 9.438 12.697 1.00 0.00 H new ATOM 0 HE22 GLN A 32 39.231 10.675 12.605 1.00 0.00 H new ATOM 504 N ILE A 33 40.297 7.323 15.489 1.00 0.00 N ATOM 505 CA ILE A 33 40.950 8.294 16.358 1.00 0.00 C ATOM 506 C ILE A 33 42.185 7.694 17.022 1.00 0.00 C ATOM 507 O ILE A 33 43.266 8.283 16.996 1.00 0.00 O ATOM 508 CB ILE A 33 39.991 8.806 17.449 1.00 0.00 C ATOM 509 CG1 ILE A 33 38.755 9.445 16.814 1.00 0.00 C ATOM 510 CG2 ILE A 33 40.703 9.801 18.354 1.00 0.00 C ATOM 511 CD1 ILE A 33 39.078 10.591 15.881 1.00 0.00 C ATOM 0 H ILE A 33 39.577 6.764 15.947 1.00 0.00 H new ATOM 0 HA ILE A 33 41.250 9.131 15.728 1.00 0.00 H new ATOM 0 HB ILE A 33 39.668 7.959 18.055 1.00 0.00 H new ATOM 0 HG12 ILE A 33 38.205 8.683 16.263 1.00 0.00 H new ATOM 0 HG13 ILE A 33 38.096 9.805 17.604 1.00 0.00 H new ATOM 0 HG21 ILE A 33 40.013 10.154 19.120 1.00 0.00 H new ATOM 0 HG22 ILE A 33 41.555 9.315 18.829 1.00 0.00 H new ATOM 0 HG23 ILE A 33 41.051 10.647 17.762 1.00 0.00 H new ATOM 0 HD11 ILE A 33 38.154 10.995 15.468 1.00 0.00 H new ATOM 0 HD12 ILE A 33 39.601 11.372 16.432 1.00 0.00 H new ATOM 0 HD13 ILE A 33 39.712 10.232 15.070 1.00 0.00 H new ATOM 523 N LYS A 34 42.017 6.518 17.616 1.00 0.00 N ATOM 524 CA LYS A 34 43.118 5.834 18.285 1.00 0.00 C ATOM 525 C LYS A 34 44.219 5.474 17.293 1.00 0.00 C ATOM 526 O LYS A 34 45.386 5.356 17.662 1.00 0.00 O ATOM 527 CB LYS A 34 42.612 4.570 18.983 1.00 0.00 C ATOM 528 CG LYS A 34 41.661 4.850 20.134 1.00 0.00 C ATOM 529 CD LYS A 34 42.403 5.346 21.364 1.00 0.00 C ATOM 530 CE LYS A 34 43.073 4.202 22.109 1.00 0.00 C ATOM 531 NZ LYS A 34 42.098 3.418 22.916 1.00 0.00 N ATOM 0 H LYS A 34 41.129 6.018 17.648 1.00 0.00 H new ATOM 0 HA LYS A 34 43.533 6.512 19.031 1.00 0.00 H new ATOM 0 HB2 LYS A 34 42.108 3.938 18.252 1.00 0.00 H new ATOM 0 HB3 LYS A 34 43.466 4.005 19.357 1.00 0.00 H new ATOM 0 HG2 LYS A 34 40.926 5.594 19.827 1.00 0.00 H new ATOM 0 HG3 LYS A 34 41.111 3.942 20.382 1.00 0.00 H new ATOM 0 HD2 LYS A 34 43.154 6.078 21.067 1.00 0.00 H new ATOM 0 HD3 LYS A 34 41.707 5.857 22.029 1.00 0.00 H new ATOM 0 HE2 LYS A 34 43.566 3.543 21.394 1.00 0.00 H new ATOM 0 HE3 LYS A 34 43.849 4.600 22.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 42.604 2.691 23.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 41.597 4.054 23.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 41.411 2.961 22.283 1.00 0.00 H new ATOM 545 N ALA A 35 43.838 5.302 16.031 1.00 0.00 N ATOM 546 CA ALA A 35 44.793 4.958 14.985 1.00 0.00 C ATOM 547 C ALA A 35 45.942 5.960 14.940 1.00 0.00 C ATOM 548 O ALA A 35 47.064 5.614 14.573 1.00 0.00 O ATOM 549 CB ALA A 35 44.095 4.891 13.634 1.00 0.00 C ATOM 0 H ALA A 35 42.875 5.395 15.709 1.00 0.00 H new ATOM 0 HA ALA A 35 45.209 3.977 15.215 1.00 0.00 H new ATOM 0 HB1 ALA A 35 44.820 4.633 12.862 1.00 0.00 H new ATOM 0 HB2 ALA A 35 43.313 4.132 13.666 1.00 0.00 H new ATOM 0 HB3 ALA A 35 43.651 5.860 13.405 1.00 0.00 H new ATOM 555 N GLU A 36 45.653 7.202 15.315 1.00 0.00 N ATOM 556 CA GLU A 36 46.663 8.254 15.316 1.00 0.00 C ATOM 557 C GLU A 36 47.733 7.980 16.369 1.00 0.00 C ATOM 558 O GLU A 36 48.882 8.395 16.224 1.00 0.00 O ATOM 559 CB GLU A 36 46.014 9.615 15.575 1.00 0.00 C ATOM 560 CG GLU A 36 45.159 10.111 14.421 1.00 0.00 C ATOM 561 CD GLU A 36 44.598 11.498 14.664 1.00 0.00 C ATOM 562 OE1 GLU A 36 45.400 12.445 14.806 1.00 0.00 O ATOM 563 OE2 GLU A 36 43.358 11.638 14.713 1.00 0.00 O ATOM 0 H GLU A 36 44.728 7.504 15.622 1.00 0.00 H new ATOM 0 HA GLU A 36 47.138 8.267 14.335 1.00 0.00 H new ATOM 0 HB2 GLU A 36 45.397 9.549 16.471 1.00 0.00 H new ATOM 0 HB3 GLU A 36 46.795 10.348 15.779 1.00 0.00 H new ATOM 0 HG2 GLU A 36 45.756 10.119 13.509 1.00 0.00 H new ATOM 0 HG3 GLU A 36 44.337 9.414 14.257 1.00 0.00 H new ATOM 570 N ALA A 37 47.346 7.279 17.429 1.00 0.00 N ATOM 571 CA ALA A 37 48.271 6.948 18.506 1.00 0.00 C ATOM 572 C ALA A 37 49.103 5.719 18.156 1.00 0.00 C ATOM 573 O ALA A 37 50.205 5.536 18.675 1.00 0.00 O ATOM 574 CB ALA A 37 47.510 6.721 19.804 1.00 0.00 C ATOM 0 H ALA A 37 46.398 6.929 17.565 1.00 0.00 H new ATOM 0 HA ALA A 37 48.951 7.789 18.639 1.00 0.00 H new ATOM 0 HB1 ALA A 37 48.213 6.475 20.600 1.00 0.00 H new ATOM 0 HB2 ALA A 37 46.965 7.627 20.069 1.00 0.00 H new ATOM 0 HB3 ALA A 37 46.806 5.899 19.674 1.00 0.00 H new ATOM 580 N ILE A 38 48.570 4.880 17.275 1.00 0.00 N ATOM 581 CA ILE A 38 49.264 3.669 16.856 1.00 0.00 C ATOM 582 C ILE A 38 50.094 3.917 15.601 1.00 0.00 C ATOM 583 O ILE A 38 51.056 3.199 15.329 1.00 0.00 O ATOM 584 CB ILE A 38 48.277 2.518 16.586 1.00 0.00 C ATOM 585 CG1 ILE A 38 47.481 2.192 17.852 1.00 0.00 C ATOM 586 CG2 ILE A 38 49.021 1.287 16.090 1.00 0.00 C ATOM 587 CD1 ILE A 38 46.010 2.525 17.743 1.00 0.00 C ATOM 0 H ILE A 38 47.659 5.017 16.837 1.00 0.00 H new ATOM 0 HA ILE A 38 49.924 3.385 17.675 1.00 0.00 H new ATOM 0 HB ILE A 38 47.578 2.833 15.811 1.00 0.00 H new ATOM 0 HG12 ILE A 38 47.589 1.131 18.076 1.00 0.00 H new ATOM 0 HG13 ILE A 38 47.908 2.741 18.691 1.00 0.00 H new ATOM 0 HG21 ILE A 38 48.310 0.482 15.904 1.00 0.00 H new ATOM 0 HG22 ILE A 38 49.547 1.527 15.166 1.00 0.00 H new ATOM 0 HG23 ILE A 38 49.740 0.968 16.844 1.00 0.00 H new ATOM 0 HD11 ILE A 38 45.509 2.268 18.676 1.00 0.00 H new ATOM 0 HD12 ILE A 38 45.892 3.591 17.549 1.00 0.00 H new ATOM 0 HD13 ILE A 38 45.568 1.956 16.925 1.00 0.00 H new ATOM 599 N GLU A 39 49.716 4.940 14.841 1.00 0.00 N ATOM 600 CA GLU A 39 50.426 5.283 13.614 1.00 0.00 C ATOM 601 C GLU A 39 51.898 5.569 13.900 1.00 0.00 C ATOM 602 O GLU A 39 52.738 5.505 13.004 1.00 0.00 O ATOM 603 CB GLU A 39 49.779 6.498 12.947 1.00 0.00 C ATOM 604 CG GLU A 39 50.080 7.811 13.650 1.00 0.00 C ATOM 605 CD GLU A 39 51.093 8.655 12.901 1.00 0.00 C ATOM 606 OE1 GLU A 39 50.990 8.742 11.660 1.00 0.00 O ATOM 607 OE2 GLU A 39 51.988 9.229 13.556 1.00 0.00 O ATOM 0 H GLU A 39 48.923 5.545 15.053 1.00 0.00 H new ATOM 0 HA GLU A 39 50.364 4.431 12.937 1.00 0.00 H new ATOM 0 HB2 GLU A 39 50.123 6.561 11.915 1.00 0.00 H new ATOM 0 HB3 GLU A 39 48.699 6.352 12.915 1.00 0.00 H new ATOM 0 HG2 GLU A 39 49.156 8.377 13.766 1.00 0.00 H new ATOM 0 HG3 GLU A 39 50.455 7.604 14.652 1.00 0.00 H new ATOM 614 N GLU A 40 52.200 5.886 15.155 1.00 0.00 N ATOM 615 CA GLU A 40 53.569 6.183 15.559 1.00 0.00 C ATOM 616 C GLU A 40 54.390 4.903 15.683 1.00 0.00 C ATOM 617 O GLU A 40 55.554 4.858 15.286 1.00 0.00 O ATOM 618 CB GLU A 40 53.580 6.940 16.889 1.00 0.00 C ATOM 619 CG GLU A 40 53.067 8.366 16.782 1.00 0.00 C ATOM 620 CD GLU A 40 52.663 8.942 18.125 1.00 0.00 C ATOM 621 OE1 GLU A 40 53.445 8.805 19.088 1.00 0.00 O ATOM 622 OE2 GLU A 40 51.565 9.530 18.213 1.00 0.00 O ATOM 0 H GLU A 40 51.515 5.944 15.909 1.00 0.00 H new ATOM 0 HA GLU A 40 54.019 6.810 14.789 1.00 0.00 H new ATOM 0 HB2 GLU A 40 52.971 6.397 17.612 1.00 0.00 H new ATOM 0 HB3 GLU A 40 54.598 6.957 17.279 1.00 0.00 H new ATOM 0 HG2 GLU A 40 53.840 8.994 16.339 1.00 0.00 H new ATOM 0 HG3 GLU A 40 52.211 8.391 16.108 1.00 0.00 H new ATOM 629 N ALA A 41 53.775 3.863 16.237 1.00 0.00 N ATOM 630 CA ALA A 41 54.447 2.582 16.412 1.00 0.00 C ATOM 631 C ALA A 41 54.667 1.890 15.072 1.00 0.00 C ATOM 632 O ALA A 41 55.579 1.075 14.924 1.00 0.00 O ATOM 633 CB ALA A 41 53.643 1.688 17.344 1.00 0.00 C ATOM 0 H ALA A 41 52.812 3.883 16.572 1.00 0.00 H new ATOM 0 HA ALA A 41 55.423 2.770 16.859 1.00 0.00 H new ATOM 0 HB1 ALA A 41 54.156 0.734 17.466 1.00 0.00 H new ATOM 0 HB2 ALA A 41 53.542 2.172 18.315 1.00 0.00 H new ATOM 0 HB3 ALA A 41 52.654 1.516 16.920 1.00 0.00 H new ATOM 639 N LYS A 42 53.827 2.218 14.096 1.00 0.00 N ATOM 640 CA LYS A 42 53.930 1.629 12.767 1.00 0.00 C ATOM 641 C LYS A 42 55.266 1.977 12.119 1.00 0.00 C ATOM 642 O LYS A 42 55.821 1.190 11.352 1.00 0.00 O ATOM 643 CB LYS A 42 52.780 2.114 11.881 1.00 0.00 C ATOM 644 CG LYS A 42 52.408 1.137 10.779 1.00 0.00 C ATOM 645 CD LYS A 42 51.859 -0.161 11.346 1.00 0.00 C ATOM 646 CE LYS A 42 50.925 -0.849 10.362 1.00 0.00 C ATOM 647 NZ LYS A 42 49.695 -0.048 10.112 1.00 0.00 N ATOM 0 H LYS A 42 53.067 2.890 14.201 1.00 0.00 H new ATOM 0 HA LYS A 42 53.868 0.546 12.872 1.00 0.00 H new ATOM 0 HB2 LYS A 42 51.904 2.297 12.504 1.00 0.00 H new ATOM 0 HB3 LYS A 42 53.056 3.068 11.432 1.00 0.00 H new ATOM 0 HG2 LYS A 42 51.665 1.592 10.124 1.00 0.00 H new ATOM 0 HG3 LYS A 42 53.285 0.926 10.168 1.00 0.00 H new ATOM 0 HD2 LYS A 42 52.684 -0.829 11.594 1.00 0.00 H new ATOM 0 HD3 LYS A 42 51.325 0.043 12.274 1.00 0.00 H new ATOM 0 HE2 LYS A 42 51.448 -1.015 9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 42 50.647 -1.829 10.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 48.921 -0.681 9.825 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 49.426 0.456 10.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 49.877 0.641 9.355 1.00 0.00 H new ATOM 661 N LYS A 43 55.780 3.162 12.433 1.00 0.00 N ATOM 662 CA LYS A 43 57.053 3.615 11.884 1.00 0.00 C ATOM 663 C LYS A 43 58.213 2.822 12.477 1.00 0.00 C ATOM 664 O LYS A 43 59.229 2.602 11.816 1.00 0.00 O ATOM 665 CB LYS A 43 57.248 5.107 12.159 1.00 0.00 C ATOM 666 CG LYS A 43 58.111 5.808 11.125 1.00 0.00 C ATOM 667 CD LYS A 43 57.298 6.228 9.912 1.00 0.00 C ATOM 668 CE LYS A 43 58.191 6.746 8.794 1.00 0.00 C ATOM 669 NZ LYS A 43 58.686 8.123 9.073 1.00 0.00 N ATOM 0 H LYS A 43 55.334 3.826 13.065 1.00 0.00 H new ATOM 0 HA LYS A 43 57.036 3.450 10.807 1.00 0.00 H new ATOM 0 HB2 LYS A 43 56.272 5.592 12.195 1.00 0.00 H new ATOM 0 HB3 LYS A 43 57.702 5.230 13.142 1.00 0.00 H new ATOM 0 HG2 LYS A 43 58.577 6.685 11.573 1.00 0.00 H new ATOM 0 HG3 LYS A 43 58.917 5.144 10.812 1.00 0.00 H new ATOM 0 HD2 LYS A 43 56.716 5.380 9.551 1.00 0.00 H new ATOM 0 HD3 LYS A 43 56.587 7.003 10.200 1.00 0.00 H new ATOM 0 HE2 LYS A 43 59.040 6.074 8.666 1.00 0.00 H new ATOM 0 HE3 LYS A 43 57.637 6.742 7.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 59.291 8.440 8.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 57.877 8.770 9.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 59.236 8.122 9.955 1.00 0.00 H new ATOM 683 N LEU A 44 58.056 2.394 13.724 1.00 0.00 N ATOM 684 CA LEU A 44 59.090 1.623 14.406 1.00 0.00 C ATOM 685 C LEU A 44 58.676 0.163 14.549 1.00 0.00 C ATOM 686 O LEU A 44 58.102 -0.233 15.564 1.00 0.00 O ATOM 687 CB LEU A 44 59.375 2.222 15.784 1.00 0.00 C ATOM 688 CG LEU A 44 60.778 1.982 16.343 1.00 0.00 C ATOM 689 CD1 LEU A 44 61.021 0.495 16.555 1.00 0.00 C ATOM 690 CD2 LEU A 44 61.831 2.568 15.414 1.00 0.00 C ATOM 0 H LEU A 44 57.222 2.568 14.285 1.00 0.00 H new ATOM 0 HA LEU A 44 59.997 1.666 13.803 1.00 0.00 H new ATOM 0 HB2 LEU A 44 59.205 3.297 15.733 1.00 0.00 H new ATOM 0 HB3 LEU A 44 58.650 1.818 16.491 1.00 0.00 H new ATOM 0 HG LEU A 44 60.854 2.484 17.308 1.00 0.00 H new ATOM 0 HD11 LEU A 44 62.024 0.343 16.953 1.00 0.00 H new ATOM 0 HD12 LEU A 44 60.288 0.103 17.260 1.00 0.00 H new ATOM 0 HD13 LEU A 44 60.925 -0.029 15.604 1.00 0.00 H new ATOM 0 HD21 LEU A 44 62.823 2.387 15.828 1.00 0.00 H new ATOM 0 HD22 LEU A 44 61.755 2.096 14.435 1.00 0.00 H new ATOM 0 HD23 LEU A 44 61.670 3.641 15.313 1.00 0.00 H new ATOM 702 N ILE A 45 58.972 -0.634 13.528 1.00 0.00 N ATOM 703 CA ILE A 45 58.633 -2.052 13.542 1.00 0.00 C ATOM 704 C ILE A 45 59.851 -2.911 13.221 1.00 0.00 C ATOM 705 O ILE A 45 60.157 -3.863 13.939 1.00 0.00 O ATOM 706 CB ILE A 45 57.513 -2.373 12.534 1.00 0.00 C ATOM 707 CG1 ILE A 45 56.275 -1.523 12.828 1.00 0.00 C ATOM 708 CG2 ILE A 45 57.169 -3.854 12.579 1.00 0.00 C ATOM 709 CD1 ILE A 45 55.656 -1.804 14.179 1.00 0.00 C ATOM 0 H ILE A 45 59.446 -0.322 12.680 1.00 0.00 H new ATOM 0 HA ILE A 45 58.283 -2.283 14.548 1.00 0.00 H new ATOM 0 HB ILE A 45 57.866 -2.133 11.531 1.00 0.00 H new ATOM 0 HG12 ILE A 45 56.547 -0.469 12.774 1.00 0.00 H new ATOM 0 HG13 ILE A 45 55.530 -1.700 12.052 1.00 0.00 H new ATOM 0 HG21 ILE A 45 56.376 -4.065 11.861 1.00 0.00 H new ATOM 0 HG22 ILE A 45 58.052 -4.441 12.327 1.00 0.00 H new ATOM 0 HG23 ILE A 45 56.831 -4.119 13.581 1.00 0.00 H new ATOM 0 HD11 ILE A 45 54.784 -1.166 14.319 1.00 0.00 H new ATOM 0 HD12 ILE A 45 55.353 -2.850 14.230 1.00 0.00 H new ATOM 0 HD13 ILE A 45 56.385 -1.599 14.963 1.00 0.00 H new ATOM 721 N ALA A 46 60.544 -2.568 12.140 1.00 0.00 N ATOM 722 CA ALA A 46 61.731 -3.305 11.727 1.00 0.00 C ATOM 723 C ALA A 46 62.906 -2.364 11.485 1.00 0.00 C ATOM 724 O ALA A 46 62.784 -1.379 10.755 1.00 0.00 O ATOM 725 CB ALA A 46 61.437 -4.119 10.475 1.00 0.00 C ATOM 0 H ALA A 46 60.303 -1.784 11.534 1.00 0.00 H new ATOM 0 HA ALA A 46 62.005 -3.985 12.534 1.00 0.00 H new ATOM 0 HB1 ALA A 46 62.332 -4.665 10.177 1.00 0.00 H new ATOM 0 HB2 ALA A 46 60.633 -4.826 10.681 1.00 0.00 H new ATOM 0 HB3 ALA A 46 61.135 -3.450 9.669 1.00 0.00 H new ATOM 731 N CYS A 47 64.041 -2.672 12.102 1.00 0.00 N ATOM 732 CA CYS A 47 65.238 -1.851 11.954 1.00 0.00 C ATOM 733 C CYS A 47 66.450 -2.713 11.614 1.00 0.00 C ATOM 734 O CYS A 47 66.398 -3.939 11.710 1.00 0.00 O ATOM 735 CB CYS A 47 65.502 -1.062 13.237 1.00 0.00 C ATOM 736 SG CYS A 47 66.588 0.367 13.015 1.00 0.00 S ATOM 0 H CYS A 47 64.158 -3.483 12.709 1.00 0.00 H new ATOM 0 HA CYS A 47 65.070 -1.152 11.134 1.00 0.00 H new ATOM 0 HB2 CYS A 47 64.550 -0.721 13.644 1.00 0.00 H new ATOM 0 HB3 CYS A 47 65.944 -1.729 13.977 1.00 0.00 H new ATOM 0 HG CYS A 47 66.749 0.971 14.155 1.00 0.00 H new TER 742 CYS A 47