USER MOD reduce.3.24.130724 H: found=0, std=0, add=640, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 641 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 10 HIS : no HD1:sc= -1.13 K(o=-1.1,f=-0.36) USER MOD Single : A 16 SER OG : rot 30:sc= 0.175 USER MOD Single : A 22 SER OG : rot -167:sc= -2.67! USER MOD Single : A 24 HIS : no HD1:sc= -1.41 K(o=-1.4,f=-0.57) USER MOD Single : A 28 GLN : amide:sc= -3.17 K(o=-3.2,f=-5.2!) USER MOD Single : A 31 SER OG : rot 180:sc=-9.35e-05 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -10.1! C(o=-10!,f=-17!) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.0374 USER MOD Single : A 46 MET CE :methyl 143:sc= -0.566 (180deg=-3.73!) USER MOD Single : A 53 THR OG1 : rot 27:sc= 0.103 USER MOD Single : A 56 LYS NZ :NH3+ -101:sc= -4.34! (180deg=-10.7!) USER MOD Single : A 62 HIS : no HD1:sc= -0.267 K(o=-0.27,f=-2.3) USER MOD Single : A 65 THR OG1 : rot 180:sc= -5.22! USER MOD Single : A 67 GLN : amide:sc= -0.0816 X(o=-0.082,f=-0.082) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 9 -8.350 -14.810 -1.138 1.00 0.00 N ATOM 2 CA ARG A 9 -8.205 -13.371 -1.329 1.00 0.00 C ATOM 3 C ARG A 9 -8.316 -13.005 -2.805 1.00 0.00 C ATOM 4 O ARG A 9 -7.973 -13.802 -3.679 1.00 0.00 O ATOM 5 CB ARG A 9 -6.863 -12.892 -0.771 1.00 0.00 C ATOM 6 CG ARG A 9 -6.637 -11.397 -0.927 1.00 0.00 C ATOM 7 CD ARG A 9 -5.291 -10.975 -0.360 1.00 0.00 C ATOM 8 NE ARG A 9 -5.059 -9.539 -0.508 1.00 0.00 N ATOM 9 CZ ARG A 9 -3.956 -8.920 -0.094 1.00 0.00 C ATOM 10 NH1 ARG A 9 -2.981 -9.605 0.491 1.00 0.00 N ATOM 11 NH2 ARG A 9 -3.827 -7.612 -0.267 1.00 0.00 N ATOM 0 HA ARG A 9 -9.011 -12.875 -0.788 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.805 -13.151 0.286 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.058 -13.427 -1.275 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -6.689 -11.128 -1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -7.434 -10.853 -0.420 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -5.242 -11.243 0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -4.497 -11.524 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 9 -5.785 -8.979 -0.955 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -3.075 -10.612 0.625 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.138 -9.125 0.806 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -4.573 -7.081 -0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.982 -7.137 0.050 1.00 0.00 H new ATOM 25 N HIS A 10 -8.797 -11.796 -3.078 1.00 0.00 N ATOM 26 CA HIS A 10 -8.952 -11.329 -4.451 1.00 0.00 C ATOM 27 C HIS A 10 -9.247 -9.832 -4.488 1.00 0.00 C ATOM 28 O HIS A 10 -8.495 -9.056 -5.078 1.00 0.00 O ATOM 29 CB HIS A 10 -10.074 -12.101 -5.150 1.00 0.00 C ATOM 30 CG HIS A 10 -10.282 -11.698 -6.576 1.00 0.00 C ATOM 31 ND1 HIS A 10 -11.241 -12.266 -7.388 1.00 0.00 N ATOM 32 CD2 HIS A 10 -9.646 -10.775 -7.339 1.00 0.00 C ATOM 33 CE1 HIS A 10 -11.186 -11.713 -8.586 1.00 0.00 C ATOM 34 NE2 HIS A 10 -10.228 -10.804 -8.582 1.00 0.00 N ATOM 0 H HIS A 10 -9.086 -11.123 -2.368 1.00 0.00 H new ATOM 0 HA HIS A 10 -8.015 -11.508 -4.978 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -9.848 -13.167 -5.112 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -11.003 -11.952 -4.600 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -8.833 -10.136 -7.027 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -11.817 -11.962 -9.426 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -9.963 -10.218 -9.374 1.00 0.00 H new ATOM 43 N GLU A 11 -10.346 -9.435 -3.855 1.00 0.00 N ATOM 44 CA GLU A 11 -10.741 -8.031 -3.816 1.00 0.00 C ATOM 45 C GLU A 11 -9.677 -7.183 -3.127 1.00 0.00 C ATOM 46 O GLU A 11 -8.866 -7.694 -2.355 1.00 0.00 O ATOM 47 CB GLU A 11 -12.081 -7.878 -3.094 1.00 0.00 C ATOM 48 CG GLU A 11 -12.574 -6.440 -3.023 1.00 0.00 C ATOM 49 CD GLU A 11 -13.907 -6.316 -2.313 1.00 0.00 C ATOM 50 OE1 GLU A 11 -14.890 -6.925 -2.785 1.00 0.00 O ATOM 51 OE2 GLU A 11 -13.969 -5.610 -1.285 1.00 0.00 O ATOM 0 H GLU A 11 -10.979 -10.065 -3.362 1.00 0.00 H new ATOM 0 HA GLU A 11 -10.847 -7.680 -4.843 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.830 -8.485 -3.603 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -11.986 -8.271 -2.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -11.833 -5.831 -2.506 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -12.666 -6.041 -4.033 1.00 0.00 H new ATOM 58 N LEU A 12 -9.687 -5.885 -3.410 1.00 0.00 N ATOM 59 CA LEU A 12 -8.724 -4.963 -2.819 1.00 0.00 C ATOM 60 C LEU A 12 -8.998 -3.529 -3.260 1.00 0.00 C ATOM 61 O LEU A 12 -8.885 -2.593 -2.469 1.00 0.00 O ATOM 62 CB LEU A 12 -7.298 -5.364 -3.205 1.00 0.00 C ATOM 63 CG LEU A 12 -6.197 -4.465 -2.638 1.00 0.00 C ATOM 64 CD1 LEU A 12 -6.232 -4.469 -1.118 1.00 0.00 C ATOM 65 CD2 LEU A 12 -4.833 -4.915 -3.142 1.00 0.00 C ATOM 0 H LEU A 12 -10.353 -5.447 -4.046 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.829 -5.016 -1.735 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -7.121 -6.386 -2.869 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -7.219 -5.367 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.374 -3.446 -2.981 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.442 -3.824 -0.734 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -7.199 -4.101 -0.775 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.080 -5.485 -0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.061 -4.266 -2.730 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.650 -5.942 -2.827 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.811 -4.860 -4.230 1.00 0.00 H new ATOM 77 N ILE A 13 -9.362 -3.365 -4.528 1.00 0.00 N ATOM 78 CA ILE A 13 -9.654 -2.046 -5.077 1.00 0.00 C ATOM 79 C ILE A 13 -10.838 -1.405 -4.358 1.00 0.00 C ATOM 80 O ILE A 13 -11.841 -2.064 -4.085 1.00 0.00 O ATOM 81 CB ILE A 13 -9.958 -2.123 -6.587 1.00 0.00 C ATOM 82 CG1 ILE A 13 -8.811 -2.815 -7.325 1.00 0.00 C ATOM 83 CG2 ILE A 13 -10.199 -0.731 -7.159 1.00 0.00 C ATOM 84 CD1 ILE A 13 -7.480 -2.111 -7.168 1.00 0.00 C ATOM 0 H ILE A 13 -9.462 -4.130 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.766 -1.432 -4.926 1.00 0.00 H new ATOM 0 HB ILE A 13 -10.865 -2.711 -6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -8.718 -3.837 -6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -9.057 -2.878 -8.385 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -10.412 -0.808 -8.225 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.047 -0.271 -6.652 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -9.311 -0.117 -7.009 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -6.713 -2.657 -7.717 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -7.556 -1.097 -7.561 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.212 -2.072 -6.112 1.00 0.00 H new ATOM 96 N GLY A 14 -10.714 -0.116 -4.058 1.00 0.00 N ATOM 97 CA GLY A 14 -11.781 0.593 -3.376 1.00 0.00 C ATOM 98 C GLY A 14 -11.545 0.702 -1.883 1.00 0.00 C ATOM 99 O GLY A 14 -12.011 1.642 -1.238 1.00 0.00 O ATOM 0 H GLY A 14 -9.894 0.450 -4.275 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -11.877 1.593 -3.799 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -12.726 0.080 -3.555 1.00 0.00 H new ATOM 103 N LEU A 15 -10.819 -0.264 -1.329 1.00 0.00 N ATOM 104 CA LEU A 15 -10.520 -0.277 0.098 1.00 0.00 C ATOM 105 C LEU A 15 -9.627 0.896 0.480 1.00 0.00 C ATOM 106 O LEU A 15 -8.932 1.460 -0.365 1.00 0.00 O ATOM 107 CB LEU A 15 -9.824 -1.581 0.484 1.00 0.00 C ATOM 108 CG LEU A 15 -10.587 -2.859 0.143 1.00 0.00 C ATOM 109 CD1 LEU A 15 -9.799 -4.078 0.595 1.00 0.00 C ATOM 110 CD2 LEU A 15 -11.968 -2.840 0.780 1.00 0.00 C ATOM 0 H LEU A 15 -10.426 -1.049 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 15 -11.465 -0.193 0.635 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -8.854 -1.615 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.634 -1.567 1.557 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.714 -2.914 -0.938 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -10.354 -4.983 0.346 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -8.833 -4.094 0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -9.645 -4.032 1.673 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.498 -3.758 0.527 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.868 -2.765 1.863 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -12.529 -1.983 0.407 1.00 0.00 H new ATOM 122 N SER A 16 -9.632 1.244 1.762 1.00 0.00 N ATOM 123 CA SER A 16 -8.800 2.332 2.254 1.00 0.00 C ATOM 124 C SER A 16 -7.524 1.770 2.866 1.00 0.00 C ATOM 125 O SER A 16 -7.492 0.621 3.300 1.00 0.00 O ATOM 126 CB SER A 16 -9.556 3.167 3.287 1.00 0.00 C ATOM 127 OG SER A 16 -8.753 4.231 3.769 1.00 0.00 O ATOM 0 H SER A 16 -10.201 0.789 2.476 1.00 0.00 H new ATOM 0 HA SER A 16 -8.541 2.978 1.415 1.00 0.00 H new ATOM 0 HB2 SER A 16 -10.466 3.568 2.840 1.00 0.00 H new ATOM 0 HB3 SER A 16 -9.862 2.532 4.119 1.00 0.00 H new ATOM 0 HG SER A 16 -8.122 4.507 3.072 1.00 0.00 H new ATOM 133 N VAL A 17 -6.473 2.575 2.889 1.00 0.00 N ATOM 134 CA VAL A 17 -5.202 2.133 3.443 1.00 0.00 C ATOM 135 C VAL A 17 -4.445 3.288 4.090 1.00 0.00 C ATOM 136 O VAL A 17 -4.153 4.295 3.444 1.00 0.00 O ATOM 137 CB VAL A 17 -4.326 1.470 2.360 1.00 0.00 C ATOM 138 CG1 VAL A 17 -4.098 2.419 1.194 1.00 0.00 C ATOM 139 CG2 VAL A 17 -3.002 0.999 2.945 1.00 0.00 C ATOM 0 H VAL A 17 -6.474 3.531 2.533 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.425 1.395 4.213 1.00 0.00 H new ATOM 0 HB VAL A 17 -4.857 0.595 1.985 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -3.478 1.930 0.443 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -5.057 2.690 0.752 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -3.595 3.318 1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -2.403 0.535 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.463 1.852 3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.191 0.272 3.735 1.00 0.00 H new ATOM 149 N ARG A 18 -4.129 3.135 5.373 1.00 0.00 N ATOM 150 CA ARG A 18 -3.404 4.160 6.111 1.00 0.00 C ATOM 151 C ARG A 18 -1.961 3.731 6.353 1.00 0.00 C ATOM 152 O ARG A 18 -1.694 2.573 6.676 1.00 0.00 O ATOM 153 CB ARG A 18 -4.100 4.454 7.442 1.00 0.00 C ATOM 154 CG ARG A 18 -4.223 3.243 8.352 1.00 0.00 C ATOM 155 CD ARG A 18 -4.972 3.583 9.631 1.00 0.00 C ATOM 156 NE ARG A 18 -5.103 2.431 10.521 1.00 0.00 N ATOM 157 CZ ARG A 18 -4.078 1.851 11.143 1.00 0.00 C ATOM 158 NH1 ARG A 18 -2.848 2.331 11.003 1.00 0.00 N ATOM 159 NH2 ARG A 18 -4.285 0.794 11.916 1.00 0.00 N ATOM 0 H ARG A 18 -4.365 2.309 5.922 1.00 0.00 H new ATOM 0 HA ARG A 18 -3.397 5.071 5.512 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -3.548 5.235 7.965 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -5.096 4.848 7.241 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -4.743 2.442 7.826 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -3.229 2.869 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -4.450 4.385 10.153 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -5.964 3.959 9.379 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.036 2.048 10.675 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -2.683 3.149 10.416 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -2.068 1.882 11.482 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -5.229 0.425 12.034 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -3.501 0.349 12.393 1.00 0.00 H new ATOM 173 N ILE A 19 -1.034 4.669 6.186 1.00 0.00 N ATOM 174 CA ILE A 19 0.382 4.384 6.375 1.00 0.00 C ATOM 175 C ILE A 19 0.798 4.561 7.832 1.00 0.00 C ATOM 176 O ILE A 19 0.615 5.628 8.418 1.00 0.00 O ATOM 177 CB ILE A 19 1.260 5.293 5.490 1.00 0.00 C ATOM 178 CG1 ILE A 19 0.825 5.192 4.025 1.00 0.00 C ATOM 179 CG2 ILE A 19 2.731 4.922 5.633 1.00 0.00 C ATOM 180 CD1 ILE A 19 0.938 3.787 3.455 1.00 0.00 C ATOM 0 H ILE A 19 -1.239 5.632 5.920 1.00 0.00 H new ATOM 0 HA ILE A 19 0.532 3.344 6.084 1.00 0.00 H new ATOM 0 HB ILE A 19 1.131 6.323 5.821 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.208 5.530 3.937 1.00 0.00 H new ATOM 0 HG13 ILE A 19 1.434 5.869 3.426 1.00 0.00 H new ATOM 0 HG21 ILE A 19 3.334 5.574 5.001 1.00 0.00 H new ATOM 0 HG22 ILE A 19 3.037 5.040 6.673 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.876 3.886 5.328 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.614 3.789 2.414 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.974 3.454 3.511 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.307 3.109 4.030 1.00 0.00 H new ATOM 192 N ALA A 20 1.371 3.508 8.408 1.00 0.00 N ATOM 193 CA ALA A 20 1.829 3.548 9.792 1.00 0.00 C ATOM 194 C ALA A 20 3.267 4.042 9.864 1.00 0.00 C ATOM 195 O ALA A 20 3.676 4.665 10.843 1.00 0.00 O ATOM 196 CB ALA A 20 1.699 2.174 10.433 1.00 0.00 C ATOM 0 H ALA A 20 1.529 2.617 7.937 1.00 0.00 H new ATOM 0 HA ALA A 20 1.201 4.246 10.346 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.045 2.220 11.466 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.655 1.861 10.413 1.00 0.00 H new ATOM 0 HB3 ALA A 20 2.304 1.456 9.880 1.00 0.00 H new ATOM 202 N ARG A 21 4.022 3.762 8.810 1.00 0.00 N ATOM 203 CA ARG A 21 5.414 4.177 8.724 1.00 0.00 C ATOM 204 C ARG A 21 5.930 4.022 7.300 1.00 0.00 C ATOM 205 O ARG A 21 5.508 3.129 6.567 1.00 0.00 O ATOM 206 CB ARG A 21 6.281 3.364 9.680 1.00 0.00 C ATOM 207 CG ARG A 21 7.748 3.760 9.657 1.00 0.00 C ATOM 208 CD ARG A 21 8.569 2.885 10.589 1.00 0.00 C ATOM 209 NE ARG A 21 9.985 3.250 10.580 1.00 0.00 N ATOM 210 CZ ARG A 21 10.913 2.635 11.308 1.00 0.00 C ATOM 211 NH1 ARG A 21 10.582 1.626 12.103 1.00 0.00 N ATOM 212 NH2 ARG A 21 12.177 3.031 11.241 1.00 0.00 N ATOM 0 H ARG A 21 3.689 3.245 7.997 1.00 0.00 H new ATOM 0 HA ARG A 21 5.470 5.228 9.009 1.00 0.00 H new ATOM 0 HB2 ARG A 21 5.898 3.481 10.694 1.00 0.00 H new ATOM 0 HB3 ARG A 21 6.194 2.307 9.426 1.00 0.00 H new ATOM 0 HG2 ARG A 21 8.134 3.676 8.641 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.850 4.805 9.951 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.179 2.971 11.603 1.00 0.00 H new ATOM 0 HD3 ARG A 21 8.462 1.841 10.294 1.00 0.00 H new ATOM 0 HE ARG A 21 10.278 4.021 9.980 1.00 0.00 H new ATOM 0 HH11 ARG A 21 9.611 1.318 12.159 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.298 1.158 12.659 1.00 0.00 H new ATOM 0 HH21 ARG A 21 12.437 3.807 10.632 1.00 0.00 H new ATOM 0 HH22 ARG A 21 12.889 2.560 11.799 1.00 0.00 H new ATOM 226 N SER A 22 6.843 4.902 6.918 1.00 0.00 N ATOM 227 CA SER A 22 7.421 4.872 5.580 1.00 0.00 C ATOM 228 C SER A 22 8.919 5.160 5.618 1.00 0.00 C ATOM 229 O SER A 22 9.441 5.654 6.615 1.00 0.00 O ATOM 230 CB SER A 22 6.716 5.883 4.678 1.00 0.00 C ATOM 231 OG SER A 22 5.332 5.595 4.572 1.00 0.00 O ATOM 0 H SER A 22 7.201 5.647 7.515 1.00 0.00 H new ATOM 0 HA SER A 22 7.279 3.870 5.175 1.00 0.00 H new ATOM 0 HB2 SER A 22 6.852 6.888 5.077 1.00 0.00 H new ATOM 0 HB3 SER A 22 7.170 5.870 3.687 1.00 0.00 H new ATOM 0 HG SER A 22 4.944 6.118 3.840 1.00 0.00 H new ATOM 237 N VAL A 23 9.603 4.845 4.521 1.00 0.00 N ATOM 238 CA VAL A 23 11.030 5.063 4.416 1.00 0.00 C ATOM 239 C VAL A 23 11.387 6.535 4.627 1.00 0.00 C ATOM 240 O VAL A 23 12.334 6.857 5.344 1.00 0.00 O ATOM 241 CB VAL A 23 11.536 4.602 3.041 1.00 0.00 C ATOM 242 CG1 VAL A 23 11.219 3.134 2.824 1.00 0.00 C ATOM 243 CG2 VAL A 23 10.938 5.451 1.927 1.00 0.00 C ATOM 0 H VAL A 23 9.180 4.434 3.688 1.00 0.00 H new ATOM 0 HA VAL A 23 11.513 4.478 5.198 1.00 0.00 H new ATOM 0 HB VAL A 23 12.618 4.730 3.017 1.00 0.00 H new ATOM 0 HG11 VAL A 23 11.584 2.824 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 23 11.704 2.539 3.598 1.00 0.00 H new ATOM 0 HG13 VAL A 23 10.141 2.984 2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 23 11.312 5.104 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.852 5.364 1.947 1.00 0.00 H new ATOM 0 HG23 VAL A 23 11.221 6.493 2.072 1.00 0.00 H new ATOM 253 N HIS A 24 10.619 7.422 4.001 1.00 0.00 N ATOM 254 CA HIS A 24 10.853 8.858 4.122 1.00 0.00 C ATOM 255 C HIS A 24 9.846 9.495 5.075 1.00 0.00 C ATOM 256 O HIS A 24 8.656 9.182 5.039 1.00 0.00 O ATOM 257 CB HIS A 24 10.777 9.530 2.750 1.00 0.00 C ATOM 258 CG HIS A 24 11.878 9.124 1.820 1.00 0.00 C ATOM 259 ND1 HIS A 24 11.966 9.571 0.519 1.00 0.00 N ATOM 260 CD2 HIS A 24 12.944 8.312 2.011 1.00 0.00 C ATOM 261 CE1 HIS A 24 13.039 9.052 -0.052 1.00 0.00 C ATOM 262 NE2 HIS A 24 13.650 8.285 0.833 1.00 0.00 N ATOM 0 H HIS A 24 9.830 7.172 3.405 1.00 0.00 H new ATOM 0 HA HIS A 24 11.853 9.004 4.530 1.00 0.00 H new ATOM 0 HB2 HIS A 24 9.818 9.290 2.290 1.00 0.00 H new ATOM 0 HB3 HIS A 24 10.806 10.612 2.883 1.00 0.00 H new ATOM 0 HD2 HIS A 24 13.193 7.784 2.920 1.00 0.00 H new ATOM 0 HE1 HIS A 24 13.361 9.225 -1.068 1.00 0.00 H new ATOM 0 HE2 HIS A 24 14.508 7.758 0.668 1.00 0.00 H new ATOM 271 N ARG A 25 10.337 10.383 5.932 1.00 0.00 N ATOM 272 CA ARG A 25 9.488 11.065 6.904 1.00 0.00 C ATOM 273 C ARG A 25 8.455 11.959 6.221 1.00 0.00 C ATOM 274 O ARG A 25 7.471 12.365 6.839 1.00 0.00 O ATOM 275 CB ARG A 25 10.348 11.899 7.856 1.00 0.00 C ATOM 276 CG ARG A 25 9.547 12.633 8.918 1.00 0.00 C ATOM 277 CD ARG A 25 10.450 13.449 9.831 1.00 0.00 C ATOM 278 NE ARG A 25 11.438 12.616 10.514 1.00 0.00 N ATOM 279 CZ ARG A 25 11.131 11.692 11.422 1.00 0.00 C ATOM 280 NH1 ARG A 25 9.871 11.509 11.797 1.00 0.00 N ATOM 281 NH2 ARG A 25 12.090 10.954 11.967 1.00 0.00 N ATOM 0 H ARG A 25 11.321 10.649 5.974 1.00 0.00 H new ATOM 0 HA ARG A 25 8.951 10.303 7.468 1.00 0.00 H new ATOM 0 HB2 ARG A 25 11.071 11.246 8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 25 10.917 12.625 7.276 1.00 0.00 H new ATOM 0 HG2 ARG A 25 8.822 13.291 8.439 1.00 0.00 H new ATOM 0 HG3 ARG A 25 8.982 11.914 9.511 1.00 0.00 H new ATOM 0 HD2 ARG A 25 10.963 14.212 9.245 1.00 0.00 H new ATOM 0 HD3 ARG A 25 9.842 13.970 10.571 1.00 0.00 H new ATOM 0 HE ARG A 25 12.422 12.751 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.130 12.078 11.389 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.644 10.799 12.493 1.00 0.00 H new ATOM 0 HH21 ARG A 25 13.062 11.095 11.690 1.00 0.00 H new ATOM 0 HH22 ARG A 25 11.855 10.246 12.663 1.00 0.00 H new ATOM 295 N ASP A 26 8.688 12.274 4.951 1.00 0.00 N ATOM 296 CA ASP A 26 7.782 13.131 4.199 1.00 0.00 C ATOM 297 C ASP A 26 6.609 12.348 3.607 1.00 0.00 C ATOM 298 O ASP A 26 5.745 12.924 2.947 1.00 0.00 O ATOM 299 CB ASP A 26 8.545 13.848 3.082 1.00 0.00 C ATOM 300 CG ASP A 26 7.659 14.792 2.289 1.00 0.00 C ATOM 301 OD1 ASP A 26 7.102 15.731 2.893 1.00 0.00 O ATOM 302 OD2 ASP A 26 7.524 14.590 1.063 1.00 0.00 O ATOM 0 H ASP A 26 9.497 11.948 4.422 1.00 0.00 H new ATOM 0 HA ASP A 26 7.372 13.863 4.895 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.374 14.409 3.514 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.978 13.108 2.408 1.00 0.00 H new ATOM 307 N ILE A 27 6.579 11.036 3.834 1.00 0.00 N ATOM 308 CA ILE A 27 5.510 10.202 3.306 1.00 0.00 C ATOM 309 C ILE A 27 4.911 9.281 4.372 1.00 0.00 C ATOM 310 O ILE A 27 3.831 8.723 4.176 1.00 0.00 O ATOM 311 CB ILE A 27 5.999 9.347 2.122 1.00 0.00 C ATOM 312 CG1 ILE A 27 7.210 8.512 2.538 1.00 0.00 C ATOM 313 CG2 ILE A 27 6.336 10.230 0.928 1.00 0.00 C ATOM 314 CD1 ILE A 27 7.767 7.653 1.422 1.00 0.00 C ATOM 0 H ILE A 27 7.280 10.533 4.378 1.00 0.00 H new ATOM 0 HA ILE A 27 4.734 10.887 2.965 1.00 0.00 H new ATOM 0 HB ILE A 27 5.198 8.669 1.826 1.00 0.00 H new ATOM 0 HG12 ILE A 27 7.994 9.178 2.898 1.00 0.00 H new ATOM 0 HG13 ILE A 27 6.929 7.870 3.373 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.680 9.608 0.101 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.448 10.782 0.622 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.122 10.932 1.205 1.00 0.00 H new ATOM 0 HD11 ILE A 27 8.624 7.089 1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 27 6.998 6.961 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 27 8.080 8.290 0.594 1.00 0.00 H new ATOM 326 N GLN A 28 5.609 9.115 5.491 1.00 0.00 N ATOM 327 CA GLN A 28 5.132 8.253 6.564 1.00 0.00 C ATOM 328 C GLN A 28 3.961 8.889 7.307 1.00 0.00 C ATOM 329 O GLN A 28 3.888 10.111 7.443 1.00 0.00 O ATOM 330 CB GLN A 28 6.264 7.950 7.549 1.00 0.00 C ATOM 331 CG GLN A 28 6.771 9.181 8.288 1.00 0.00 C ATOM 332 CD GLN A 28 7.926 8.889 9.239 1.00 0.00 C ATOM 333 OE1 GLN A 28 8.427 9.793 9.907 1.00 0.00 O ATOM 334 NE2 GLN A 28 8.362 7.632 9.308 1.00 0.00 N ATOM 0 H GLN A 28 6.505 9.566 5.677 1.00 0.00 H new ATOM 0 HA GLN A 28 4.788 7.323 6.112 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.916 7.217 8.277 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.093 7.493 7.008 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.091 9.926 7.559 1.00 0.00 H new ATOM 0 HG3 GLN A 28 5.948 9.620 8.853 1.00 0.00 H new ATOM 0 HE21 GLN A 28 7.923 6.908 8.740 1.00 0.00 H new ATOM 0 HE22 GLN A 28 9.135 7.394 9.929 1.00 0.00 H new ATOM 343 N GLY A 29 3.047 8.050 7.791 1.00 0.00 N ATOM 344 CA GLY A 29 1.894 8.545 8.520 1.00 0.00 C ATOM 345 C GLY A 29 0.771 9.021 7.616 1.00 0.00 C ATOM 346 O GLY A 29 -0.295 9.405 8.096 1.00 0.00 O ATOM 0 H GLY A 29 3.086 7.036 7.690 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.518 7.755 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.206 9.367 9.164 1.00 0.00 H new ATOM 350 N ILE A 30 1.006 9.002 6.308 1.00 0.00 N ATOM 351 CA ILE A 30 0.004 9.441 5.348 1.00 0.00 C ATOM 352 C ILE A 30 -1.087 8.388 5.167 1.00 0.00 C ATOM 353 O ILE A 30 -0.826 7.188 5.249 1.00 0.00 O ATOM 354 CB ILE A 30 0.639 9.756 3.978 1.00 0.00 C ATOM 355 CG1 ILE A 30 1.741 10.803 4.135 1.00 0.00 C ATOM 356 CG2 ILE A 30 -0.419 10.238 2.995 1.00 0.00 C ATOM 357 CD1 ILE A 30 1.246 12.120 4.706 1.00 0.00 C ATOM 0 H ILE A 30 1.882 8.687 5.890 1.00 0.00 H new ATOM 0 HA ILE A 30 -0.442 10.351 5.749 1.00 0.00 H new ATOM 0 HB ILE A 30 1.081 8.842 3.582 1.00 0.00 H new ATOM 0 HG12 ILE A 30 2.521 10.404 4.784 1.00 0.00 H new ATOM 0 HG13 ILE A 30 2.199 10.986 3.163 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.049 10.455 2.035 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.174 9.463 2.864 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.890 11.142 3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 30 2.080 12.816 4.790 1.00 0.00 H new ATOM 0 HD12 ILE A 30 0.487 12.541 4.046 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.814 11.950 5.692 1.00 0.00 H new ATOM 369 N SER A 31 -2.309 8.847 4.915 1.00 0.00 N ATOM 370 CA SER A 31 -3.440 7.949 4.712 1.00 0.00 C ATOM 371 C SER A 31 -4.034 8.148 3.324 1.00 0.00 C ATOM 372 O SER A 31 -3.892 9.216 2.729 1.00 0.00 O ATOM 373 CB SER A 31 -4.509 8.190 5.779 1.00 0.00 C ATOM 374 OG SER A 31 -5.619 7.329 5.594 1.00 0.00 O ATOM 0 H SER A 31 -2.541 9.838 4.846 1.00 0.00 H new ATOM 0 HA SER A 31 -3.084 6.922 4.797 1.00 0.00 H new ATOM 0 HB2 SER A 31 -4.082 8.030 6.769 1.00 0.00 H new ATOM 0 HB3 SER A 31 -4.839 9.228 5.739 1.00 0.00 H new ATOM 0 HG SER A 31 -6.287 7.502 6.290 1.00 0.00 H new ATOM 380 N GLY A 32 -4.699 7.118 2.806 1.00 0.00 N ATOM 381 CA GLY A 32 -5.292 7.219 1.487 1.00 0.00 C ATOM 382 C GLY A 32 -6.043 5.968 1.083 1.00 0.00 C ATOM 383 O GLY A 32 -6.398 5.146 1.925 1.00 0.00 O ATOM 0 H GLY A 32 -4.836 6.222 3.274 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -5.973 8.069 1.464 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -4.509 7.419 0.756 1.00 0.00 H new ATOM 387 N ARG A 33 -6.286 5.831 -0.215 1.00 0.00 N ATOM 388 CA ARG A 33 -7.001 4.682 -0.755 1.00 0.00 C ATOM 389 C ARG A 33 -6.115 3.850 -1.681 1.00 0.00 C ATOM 390 O ARG A 33 -4.969 4.183 -1.935 1.00 0.00 O ATOM 391 CB ARG A 33 -8.328 5.077 -1.382 1.00 0.00 C ATOM 392 CG ARG A 33 -9.351 5.479 -0.334 1.00 0.00 C ATOM 393 CD ARG A 33 -10.680 5.897 -0.942 1.00 0.00 C ATOM 394 NE ARG A 33 -11.675 6.195 0.086 1.00 0.00 N ATOM 395 CZ ARG A 33 -12.903 6.636 -0.173 1.00 0.00 C ATOM 396 NH1 ARG A 33 -13.291 6.847 -1.423 1.00 0.00 N ATOM 397 NH2 ARG A 33 -13.747 6.872 0.823 1.00 0.00 N ATOM 0 H ARG A 33 -5.995 6.509 -0.919 1.00 0.00 H new ATOM 0 HA ARG A 33 -7.256 4.031 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -8.171 5.905 -2.073 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -8.716 4.243 -1.967 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -9.514 4.644 0.347 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.953 6.302 0.260 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -10.532 6.775 -1.571 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -11.051 5.101 -1.588 1.00 0.00 H new ATOM 0 HE ARG A 33 -11.412 6.056 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.646 6.671 -2.194 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.234 7.185 -1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -13.454 6.715 1.787 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -14.689 7.210 0.624 1.00 0.00 H new ATOM 411 N VAL A 34 -6.622 2.713 -2.091 1.00 0.00 N ATOM 412 CA VAL A 34 -5.839 1.768 -2.899 1.00 0.00 C ATOM 413 C VAL A 34 -6.161 1.796 -4.387 1.00 0.00 C ATOM 414 O VAL A 34 -7.271 2.117 -4.780 1.00 0.00 O ATOM 415 CB VAL A 34 -6.027 0.329 -2.383 1.00 0.00 C ATOM 416 CG1 VAL A 34 -5.127 -0.639 -3.137 1.00 0.00 C ATOM 417 CG2 VAL A 34 -5.759 0.261 -0.887 1.00 0.00 C ATOM 0 H VAL A 34 -7.573 2.406 -1.886 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.805 2.094 -2.789 1.00 0.00 H new ATOM 0 HB VAL A 34 -7.061 0.034 -2.561 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -5.278 -1.649 -2.755 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.373 -0.612 -4.199 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -4.085 -0.350 -2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.896 -0.763 -0.539 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -4.736 0.578 -0.686 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -6.453 0.919 -0.363 1.00 0.00 H new ATOM 427 N VAL A 35 -5.172 1.420 -5.205 1.00 0.00 N ATOM 428 CA VAL A 35 -5.363 1.331 -6.649 1.00 0.00 C ATOM 429 C VAL A 35 -4.678 0.079 -7.207 1.00 0.00 C ATOM 430 O VAL A 35 -5.276 -0.685 -7.963 1.00 0.00 O ATOM 431 CB VAL A 35 -4.884 2.584 -7.410 1.00 0.00 C ATOM 432 CG1 VAL A 35 -3.387 2.647 -7.515 1.00 0.00 C ATOM 433 CG2 VAL A 35 -5.526 2.648 -8.789 1.00 0.00 C ATOM 0 H VAL A 35 -4.234 1.174 -4.888 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.439 1.263 -6.809 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.200 3.454 -6.834 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.098 3.546 -8.059 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.953 2.672 -6.515 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.022 1.768 -8.047 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.177 3.538 -9.312 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.251 1.761 -9.360 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.610 2.691 -8.684 1.00 0.00 H new ATOM 443 N ASP A 36 -3.410 -0.121 -6.820 1.00 0.00 N ATOM 444 CA ASP A 36 -2.635 -1.271 -7.269 1.00 0.00 C ATOM 445 C ASP A 36 -1.456 -1.525 -6.323 1.00 0.00 C ATOM 446 O ASP A 36 -1.092 -0.657 -5.531 1.00 0.00 O ATOM 447 CB ASP A 36 -2.127 -1.038 -8.696 1.00 0.00 C ATOM 448 CG ASP A 36 -1.532 -2.287 -9.323 1.00 0.00 C ATOM 449 OD1 ASP A 36 -1.616 -3.366 -8.700 1.00 0.00 O ATOM 450 OD2 ASP A 36 -0.995 -2.187 -10.446 1.00 0.00 O ATOM 0 H ASP A 36 -2.904 0.506 -6.194 1.00 0.00 H new ATOM 0 HA ASP A 36 -3.280 -2.150 -7.262 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -2.950 -0.683 -9.316 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.374 -0.250 -8.684 1.00 0.00 H new ATOM 455 N GLU A 37 -0.858 -2.710 -6.418 1.00 0.00 N ATOM 456 CA GLU A 37 0.286 -3.061 -5.576 1.00 0.00 C ATOM 457 C GLU A 37 1.438 -3.598 -6.426 1.00 0.00 C ATOM 458 O GLU A 37 1.231 -4.440 -7.299 1.00 0.00 O ATOM 459 CB GLU A 37 -0.123 -4.104 -4.533 1.00 0.00 C ATOM 460 CG GLU A 37 -1.224 -3.630 -3.598 1.00 0.00 C ATOM 461 CD GLU A 37 -1.610 -4.679 -2.574 1.00 0.00 C ATOM 462 OE1 GLU A 37 -2.045 -5.777 -2.982 1.00 0.00 O ATOM 463 OE2 GLU A 37 -1.476 -4.403 -1.363 1.00 0.00 O ATOM 0 H GLU A 37 -1.145 -3.443 -7.067 1.00 0.00 H new ATOM 0 HA GLU A 37 0.622 -2.159 -5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.456 -5.007 -5.045 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.751 -4.377 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.895 -2.728 -3.082 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.102 -3.359 -4.184 1.00 0.00 H new ATOM 470 N THR A 38 2.654 -3.109 -6.170 1.00 0.00 N ATOM 471 CA THR A 38 3.822 -3.552 -6.924 1.00 0.00 C ATOM 472 C THR A 38 4.896 -4.112 -5.994 1.00 0.00 C ATOM 473 O THR A 38 5.037 -3.673 -4.853 1.00 0.00 O ATOM 474 CB THR A 38 4.393 -2.396 -7.744 1.00 0.00 C ATOM 475 OG1 THR A 38 3.385 -1.806 -8.547 1.00 0.00 O ATOM 476 CG2 THR A 38 5.520 -2.813 -8.664 1.00 0.00 C ATOM 0 H THR A 38 2.851 -2.412 -5.452 1.00 0.00 H new ATOM 0 HA THR A 38 3.505 -4.347 -7.599 1.00 0.00 H new ATOM 0 HB THR A 38 4.783 -1.689 -7.012 1.00 0.00 H new ATOM 0 HG1 THR A 38 3.769 -1.067 -9.063 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.879 -1.945 -9.216 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.336 -3.231 -8.074 1.00 0.00 H new ATOM 0 HG23 THR A 38 5.158 -3.565 -9.365 1.00 0.00 H new ATOM 484 N ARG A 39 5.649 -5.090 -6.493 1.00 0.00 N ATOM 485 CA ARG A 39 6.711 -5.728 -5.717 1.00 0.00 C ATOM 486 C ARG A 39 7.698 -4.704 -5.156 1.00 0.00 C ATOM 487 O ARG A 39 8.435 -5.003 -4.216 1.00 0.00 O ATOM 488 CB ARG A 39 7.458 -6.744 -6.582 1.00 0.00 C ATOM 489 CG ARG A 39 8.311 -7.729 -5.790 1.00 0.00 C ATOM 490 CD ARG A 39 7.459 -8.786 -5.096 1.00 0.00 C ATOM 491 NE ARG A 39 6.681 -8.242 -3.985 1.00 0.00 N ATOM 492 CZ ARG A 39 5.715 -8.912 -3.362 1.00 0.00 C ATOM 493 NH1 ARG A 39 5.408 -10.149 -3.736 1.00 0.00 N ATOM 494 NH2 ARG A 39 5.056 -8.345 -2.363 1.00 0.00 N ATOM 0 H ARG A 39 5.542 -5.460 -7.438 1.00 0.00 H new ATOM 0 HA ARG A 39 6.241 -6.237 -4.876 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.734 -7.302 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 39 8.098 -6.208 -7.283 1.00 0.00 H new ATOM 0 HG2 ARG A 39 9.020 -8.216 -6.460 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.895 -7.187 -5.046 1.00 0.00 H new ATOM 0 HD2 ARG A 39 6.782 -9.236 -5.822 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.105 -9.582 -4.726 1.00 0.00 H new ATOM 0 HE ARG A 39 6.890 -7.295 -3.669 1.00 0.00 H new ATOM 0 HH11 ARG A 39 5.914 -10.590 -4.504 1.00 0.00 H new ATOM 0 HH12 ARG A 39 4.667 -10.658 -3.255 1.00 0.00 H new ATOM 0 HH21 ARG A 39 5.289 -7.396 -2.072 1.00 0.00 H new ATOM 0 HH22 ARG A 39 4.315 -8.858 -1.885 1.00 0.00 H new ATOM 508 N ASN A 40 7.723 -3.501 -5.731 1.00 0.00 N ATOM 509 CA ASN A 40 8.645 -2.468 -5.262 1.00 0.00 C ATOM 510 C ASN A 40 7.972 -1.109 -5.062 1.00 0.00 C ATOM 511 O ASN A 40 8.646 -0.130 -4.745 1.00 0.00 O ATOM 512 CB ASN A 40 9.830 -2.318 -6.227 1.00 0.00 C ATOM 513 CG ASN A 40 9.462 -1.774 -7.607 1.00 0.00 C ATOM 514 OD1 ASN A 40 10.346 -1.531 -8.429 1.00 0.00 O ATOM 515 ND2 ASN A 40 8.175 -1.580 -7.887 1.00 0.00 N ATOM 0 H ASN A 40 7.126 -3.221 -6.509 1.00 0.00 H new ATOM 0 HA ASN A 40 9.001 -2.801 -4.287 1.00 0.00 H new ATOM 0 HB2 ASN A 40 10.568 -1.656 -5.775 1.00 0.00 H new ATOM 0 HB3 ASN A 40 10.307 -3.290 -6.350 1.00 0.00 H new ATOM 0 HD21 ASN A 40 7.900 -1.222 -8.802 1.00 0.00 H new ATOM 0 HD22 ASN A 40 7.463 -1.790 -7.187 1.00 0.00 H new ATOM 522 N THR A 41 6.654 -1.036 -5.236 1.00 0.00 N ATOM 523 CA THR A 41 5.959 0.234 -5.053 1.00 0.00 C ATOM 524 C THR A 41 4.477 0.027 -4.771 1.00 0.00 C ATOM 525 O THR A 41 3.910 -1.022 -5.076 1.00 0.00 O ATOM 526 CB THR A 41 6.142 1.137 -6.276 1.00 0.00 C ATOM 527 OG1 THR A 41 5.594 2.420 -6.033 1.00 0.00 O ATOM 528 CG2 THR A 41 5.488 0.598 -7.527 1.00 0.00 C ATOM 0 H THR A 41 6.058 -1.822 -5.497 1.00 0.00 H new ATOM 0 HA THR A 41 6.402 0.723 -4.185 1.00 0.00 H new ATOM 0 HB THR A 41 7.219 1.183 -6.439 1.00 0.00 H new ATOM 0 HG1 THR A 41 5.721 2.985 -6.824 1.00 0.00 H new ATOM 0 HG21 THR A 41 5.658 1.289 -8.353 1.00 0.00 H new ATOM 0 HG22 THR A 41 5.917 -0.374 -7.772 1.00 0.00 H new ATOM 0 HG23 THR A 41 4.416 0.490 -7.360 1.00 0.00 H new ATOM 536 N LEU A 42 3.866 1.043 -4.179 1.00 0.00 N ATOM 537 CA LEU A 42 2.452 1.003 -3.834 1.00 0.00 C ATOM 538 C LEU A 42 1.689 2.046 -4.632 1.00 0.00 C ATOM 539 O LEU A 42 2.160 3.167 -4.818 1.00 0.00 O ATOM 540 CB LEU A 42 2.257 1.263 -2.334 1.00 0.00 C ATOM 541 CG LEU A 42 0.853 0.976 -1.791 1.00 0.00 C ATOM 542 CD1 LEU A 42 -0.157 1.981 -2.332 1.00 0.00 C ATOM 543 CD2 LEU A 42 0.428 -0.445 -2.143 1.00 0.00 C ATOM 0 H LEU A 42 4.333 1.914 -3.925 1.00 0.00 H new ATOM 0 HA LEU A 42 2.069 0.012 -4.075 1.00 0.00 H new ATOM 0 HB2 LEU A 42 2.973 0.654 -1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.501 2.306 -2.129 1.00 0.00 H new ATOM 0 HG LEU A 42 0.882 1.075 -0.706 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -1.145 1.755 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.135 2.987 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.184 1.920 -3.420 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.571 -0.634 -1.750 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.421 -0.565 -3.226 1.00 0.00 H new ATOM 0 HD23 LEU A 42 1.130 -1.154 -1.704 1.00 0.00 H new ATOM 555 N ARG A 43 0.507 1.677 -5.093 1.00 0.00 N ATOM 556 CA ARG A 43 -0.320 2.584 -5.856 1.00 0.00 C ATOM 557 C ARG A 43 -1.616 2.842 -5.076 1.00 0.00 C ATOM 558 O ARG A 43 -2.283 1.903 -4.637 1.00 0.00 O ATOM 559 CB ARG A 43 -0.565 1.991 -7.247 1.00 0.00 C ATOM 560 CG ARG A 43 -0.558 3.024 -8.366 1.00 0.00 C ATOM 561 CD ARG A 43 -0.757 2.374 -9.730 1.00 0.00 C ATOM 562 NE ARG A 43 -0.604 3.331 -10.824 1.00 0.00 N ATOM 563 CZ ARG A 43 -1.441 4.339 -11.057 1.00 0.00 C ATOM 564 NH1 ARG A 43 -2.526 4.498 -10.310 1.00 0.00 N ATOM 565 NH2 ARG A 43 -1.201 5.183 -12.051 1.00 0.00 N ATOM 0 H ARG A 43 0.101 0.752 -4.950 1.00 0.00 H new ATOM 0 HA ARG A 43 0.171 3.546 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 43 0.200 1.242 -7.452 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -1.525 1.475 -7.248 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -1.347 3.755 -8.192 1.00 0.00 H new ATOM 0 HG3 ARG A 43 0.387 3.567 -8.355 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -0.037 1.565 -9.854 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -1.750 1.927 -9.776 1.00 0.00 H new ATOM 0 HE ARG A 43 0.195 3.219 -11.448 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -2.723 3.845 -9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -3.163 5.273 -10.494 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -0.375 5.060 -12.637 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -1.842 5.956 -12.230 1.00 0.00 H new ATOM 579 N ILE A 44 -1.922 4.116 -4.846 1.00 0.00 N ATOM 580 CA ILE A 44 -3.089 4.513 -4.047 1.00 0.00 C ATOM 581 C ILE A 44 -4.202 5.177 -4.862 1.00 0.00 C ATOM 582 O ILE A 44 -4.004 6.240 -5.438 1.00 0.00 O ATOM 583 CB ILE A 44 -2.633 5.503 -2.932 1.00 0.00 C ATOM 584 CG1 ILE A 44 -1.784 4.765 -1.894 1.00 0.00 C ATOM 585 CG2 ILE A 44 -3.802 6.225 -2.258 1.00 0.00 C ATOM 586 CD1 ILE A 44 -1.319 5.643 -0.752 1.00 0.00 C ATOM 0 H ILE A 44 -1.376 4.900 -5.203 1.00 0.00 H new ATOM 0 HA ILE A 44 -3.503 3.594 -3.631 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.033 6.275 -3.414 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -2.362 3.934 -1.490 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -0.913 4.336 -2.389 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -3.420 6.899 -1.492 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -4.354 6.798 -3.003 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -4.466 5.493 -1.798 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.723 5.051 -0.057 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -0.713 6.460 -1.144 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.185 6.051 -0.231 1.00 0.00 H new ATOM 598 N GLU A 45 -5.403 4.585 -4.841 1.00 0.00 N ATOM 599 CA GLU A 45 -6.542 5.191 -5.509 1.00 0.00 C ATOM 600 C GLU A 45 -7.705 5.292 -4.539 1.00 0.00 C ATOM 601 O GLU A 45 -7.925 4.385 -3.694 1.00 0.00 O ATOM 602 CB GLU A 45 -6.983 4.437 -6.767 1.00 0.00 C ATOM 603 CG GLU A 45 -8.312 4.914 -7.335 1.00 0.00 C ATOM 604 CD GLU A 45 -8.725 4.149 -8.578 1.00 0.00 C ATOM 605 OE1 GLU A 45 -8.893 2.915 -8.486 1.00 0.00 O ATOM 606 OE2 GLU A 45 -8.878 4.783 -9.643 1.00 0.00 O ATOM 0 H GLU A 45 -5.601 3.700 -4.374 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.224 6.181 -5.835 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.213 4.543 -7.531 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.058 3.375 -6.535 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.086 4.809 -6.575 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.241 5.975 -7.573 1.00 0.00 H new ATOM 613 N MET A 46 -8.423 6.409 -4.686 1.00 0.00 N ATOM 614 CA MET A 46 -9.584 6.736 -3.873 1.00 0.00 C ATOM 615 C MET A 46 -10.845 6.754 -4.732 1.00 0.00 C ATOM 616 O MET A 46 -10.889 7.419 -5.769 1.00 0.00 O ATOM 617 CB MET A 46 -9.375 8.105 -3.213 1.00 0.00 C ATOM 618 CG MET A 46 -8.261 8.122 -2.175 1.00 0.00 C ATOM 619 SD MET A 46 -7.706 9.783 -1.750 1.00 0.00 S ATOM 620 CE MET A 46 -6.387 10.016 -2.943 1.00 0.00 C ATOM 0 H MET A 46 -8.206 7.119 -5.386 1.00 0.00 H new ATOM 0 HA MET A 46 -9.705 5.977 -3.100 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.150 8.840 -3.986 1.00 0.00 H new ATOM 0 HB3 MET A 46 -10.306 8.415 -2.739 1.00 0.00 H new ATOM 0 HG2 MET A 46 -8.608 7.620 -1.272 1.00 0.00 H new ATOM 0 HG3 MET A 46 -7.414 7.549 -2.552 1.00 0.00 H new ATOM 0 HE1 MET A 46 -6.384 11.051 -3.284 1.00 0.00 H new ATOM 0 HE2 MET A 46 -5.429 9.785 -2.476 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.545 9.354 -3.794 1.00 0.00 H new ATOM 630 N ASP A 47 -11.863 6.012 -4.294 1.00 0.00 N ATOM 631 CA ASP A 47 -13.132 5.922 -5.017 1.00 0.00 C ATOM 632 C ASP A 47 -13.607 7.288 -5.504 1.00 0.00 C ATOM 633 O ASP A 47 -14.311 7.388 -6.509 1.00 0.00 O ATOM 634 CB ASP A 47 -14.203 5.283 -4.127 1.00 0.00 C ATOM 635 CG ASP A 47 -15.532 5.123 -4.841 1.00 0.00 C ATOM 636 OD1 ASP A 47 -15.569 4.420 -5.873 1.00 0.00 O ATOM 637 OD2 ASP A 47 -16.534 5.700 -4.367 1.00 0.00 O ATOM 0 H ASP A 47 -11.832 5.461 -3.436 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.966 5.296 -5.894 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.855 4.306 -3.790 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.344 5.896 -3.237 1.00 0.00 H new ATOM 642 N ASP A 48 -13.212 8.334 -4.793 1.00 0.00 N ATOM 643 CA ASP A 48 -13.591 9.693 -5.160 1.00 0.00 C ATOM 644 C ASP A 48 -13.054 10.063 -6.545 1.00 0.00 C ATOM 645 O ASP A 48 -13.449 11.076 -7.121 1.00 0.00 O ATOM 646 CB ASP A 48 -13.073 10.688 -4.119 1.00 0.00 C ATOM 647 CG ASP A 48 -13.635 10.422 -2.736 1.00 0.00 C ATOM 648 OD1 ASP A 48 -13.408 9.314 -2.205 1.00 0.00 O ATOM 649 OD2 ASP A 48 -14.304 11.321 -2.184 1.00 0.00 O ATOM 0 H ASP A 48 -12.629 8.269 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 48 -14.680 9.739 -5.191 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -11.985 10.638 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -13.335 11.701 -4.426 1.00 0.00 H new ATOM 654 N GLY A 49 -12.148 9.239 -7.069 1.00 0.00 N ATOM 655 CA GLY A 49 -11.571 9.497 -8.374 1.00 0.00 C ATOM 656 C GLY A 49 -10.185 10.099 -8.279 1.00 0.00 C ATOM 657 O GLY A 49 -9.705 10.727 -9.223 1.00 0.00 O ATOM 0 H GLY A 49 -11.804 8.396 -6.610 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -11.523 8.566 -8.938 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -12.221 10.173 -8.929 1.00 0.00 H new ATOM 661 N ARG A 50 -9.541 9.901 -7.135 1.00 0.00 N ATOM 662 CA ARG A 50 -8.196 10.422 -6.914 1.00 0.00 C ATOM 663 C ARG A 50 -7.162 9.305 -7.005 1.00 0.00 C ATOM 664 O ARG A 50 -7.500 8.129 -6.879 1.00 0.00 O ATOM 665 CB ARG A 50 -8.110 11.114 -5.553 1.00 0.00 C ATOM 666 CG ARG A 50 -9.103 12.251 -5.385 1.00 0.00 C ATOM 667 CD ARG A 50 -8.911 13.322 -6.448 1.00 0.00 C ATOM 668 NE ARG A 50 -9.873 14.414 -6.307 1.00 0.00 N ATOM 669 CZ ARG A 50 -9.919 15.468 -7.117 1.00 0.00 C ATOM 670 NH1 ARG A 50 -9.063 15.577 -8.125 1.00 0.00 N ATOM 671 NH2 ARG A 50 -10.825 16.416 -6.919 1.00 0.00 N ATOM 0 H ARG A 50 -9.928 9.384 -6.346 1.00 0.00 H new ATOM 0 HA ARG A 50 -7.981 11.153 -7.693 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -8.279 10.376 -4.768 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -7.100 11.501 -5.415 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -10.119 11.859 -5.441 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -8.986 12.694 -4.396 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -7.899 13.720 -6.382 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -9.014 12.874 -7.436 1.00 0.00 H new ATOM 0 HE ARG A 50 -10.548 14.365 -5.544 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.365 14.850 -8.282 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -9.103 16.388 -8.743 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -11.486 16.336 -6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -10.861 17.225 -7.540 1.00 0.00 H new ATOM 685 N GLU A 51 -5.904 9.675 -7.228 1.00 0.00 N ATOM 686 CA GLU A 51 -4.838 8.686 -7.339 1.00 0.00 C ATOM 687 C GLU A 51 -3.486 9.264 -6.921 1.00 0.00 C ATOM 688 O GLU A 51 -3.161 10.411 -7.231 1.00 0.00 O ATOM 689 CB GLU A 51 -4.755 8.163 -8.774 1.00 0.00 C ATOM 690 CG GLU A 51 -6.020 7.460 -9.239 1.00 0.00 C ATOM 691 CD GLU A 51 -5.908 6.943 -10.660 1.00 0.00 C ATOM 692 OE1 GLU A 51 -5.017 6.108 -10.920 1.00 0.00 O ATOM 693 OE2 GLU A 51 -6.714 7.373 -11.514 1.00 0.00 O ATOM 0 H GLU A 51 -5.600 10.643 -7.334 1.00 0.00 H new ATOM 0 HA GLU A 51 -5.077 7.865 -6.663 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.545 8.997 -9.444 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -3.916 7.472 -8.852 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.237 6.628 -8.569 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -6.861 8.150 -9.172 1.00 0.00 H new ATOM 700 N ILE A 52 -2.703 8.449 -6.221 1.00 0.00 N ATOM 701 CA ILE A 52 -1.375 8.847 -5.756 1.00 0.00 C ATOM 702 C ILE A 52 -0.501 7.611 -5.522 1.00 0.00 C ATOM 703 O ILE A 52 -1.016 6.525 -5.282 1.00 0.00 O ATOM 704 CB ILE A 52 -1.457 9.673 -4.457 1.00 0.00 C ATOM 705 CG1 ILE A 52 -0.068 10.155 -4.032 1.00 0.00 C ATOM 706 CG2 ILE A 52 -2.100 8.855 -3.348 1.00 0.00 C ATOM 707 CD1 ILE A 52 0.597 11.063 -5.055 1.00 0.00 C ATOM 0 H ILE A 52 -2.967 7.499 -5.960 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.928 9.469 -6.531 1.00 0.00 H new ATOM 0 HB ILE A 52 -2.078 10.549 -4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.151 10.687 -3.084 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.571 9.289 -3.856 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.150 9.452 -2.438 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.107 8.564 -3.647 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -1.504 7.961 -3.163 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.578 11.367 -4.689 1.00 0.00 H new ATOM 0 HD12 ILE A 52 0.712 10.527 -5.997 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.021 11.947 -5.213 1.00 0.00 H new ATOM 719 N THR A 53 0.818 7.775 -5.616 1.00 0.00 N ATOM 720 CA THR A 53 1.740 6.653 -5.435 1.00 0.00 C ATOM 721 C THR A 53 2.471 6.714 -4.091 1.00 0.00 C ATOM 722 O THR A 53 2.653 7.787 -3.516 1.00 0.00 O ATOM 723 CB THR A 53 2.757 6.637 -6.574 1.00 0.00 C ATOM 724 OG1 THR A 53 3.587 5.492 -6.493 1.00 0.00 O ATOM 725 CG2 THR A 53 3.657 7.853 -6.588 1.00 0.00 C ATOM 0 H THR A 53 1.270 8.667 -5.815 1.00 0.00 H new ATOM 0 HA THR A 53 1.149 5.737 -5.444 1.00 0.00 H new ATOM 0 HB THR A 53 2.164 6.630 -7.488 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.108 4.773 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 53 4.356 7.779 -7.421 1.00 0.00 H new ATOM 0 HG22 THR A 53 3.052 8.752 -6.701 1.00 0.00 H new ATOM 0 HG23 THR A 53 4.213 7.905 -5.652 1.00 0.00 H new ATOM 733 N VAL A 54 2.895 5.544 -3.604 1.00 0.00 N ATOM 734 CA VAL A 54 3.619 5.443 -2.336 1.00 0.00 C ATOM 735 C VAL A 54 4.657 4.313 -2.389 1.00 0.00 C ATOM 736 O VAL A 54 4.372 3.233 -2.898 1.00 0.00 O ATOM 737 CB VAL A 54 2.657 5.189 -1.159 1.00 0.00 C ATOM 738 CG1 VAL A 54 3.421 5.126 0.157 1.00 0.00 C ATOM 739 CG2 VAL A 54 1.584 6.268 -1.107 1.00 0.00 C ATOM 0 H VAL A 54 2.748 4.650 -4.072 1.00 0.00 H new ATOM 0 HA VAL A 54 4.126 6.395 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 54 2.170 4.226 -1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.723 4.946 0.975 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.149 4.316 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.938 6.071 0.323 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.913 6.074 -0.270 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.054 7.243 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 54 1.016 6.261 -2.037 1.00 0.00 H new ATOM 749 N PRO A 55 5.882 4.552 -1.879 1.00 0.00 N ATOM 750 CA PRO A 55 6.968 3.550 -1.892 1.00 0.00 C ATOM 751 C PRO A 55 6.680 2.312 -1.034 1.00 0.00 C ATOM 752 O PRO A 55 6.219 2.421 0.103 1.00 0.00 O ATOM 753 CB PRO A 55 8.172 4.313 -1.322 1.00 0.00 C ATOM 754 CG PRO A 55 7.812 5.756 -1.417 1.00 0.00 C ATOM 755 CD PRO A 55 6.322 5.818 -1.270 1.00 0.00 C ATOM 0 HA PRO A 55 7.116 3.156 -2.898 1.00 0.00 H new ATOM 0 HB2 PRO A 55 8.366 4.024 -0.289 1.00 0.00 H new ATOM 0 HB3 PRO A 55 9.078 4.097 -1.889 1.00 0.00 H new ATOM 0 HG2 PRO A 55 8.306 6.334 -0.636 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.128 6.175 -2.372 1.00 0.00 H new ATOM 0 HD2 PRO A 55 6.021 5.890 -0.225 1.00 0.00 H new ATOM 0 HD3 PRO A 55 5.900 6.682 -1.784 1.00 0.00 H new ATOM 763 N LYS A 56 6.976 1.135 -1.594 1.00 0.00 N ATOM 764 CA LYS A 56 6.778 -0.141 -0.897 1.00 0.00 C ATOM 765 C LYS A 56 8.083 -0.691 -0.324 1.00 0.00 C ATOM 766 O LYS A 56 8.088 -1.748 0.304 1.00 0.00 O ATOM 767 CB LYS A 56 6.177 -1.183 -1.841 1.00 0.00 C ATOM 768 CG LYS A 56 4.681 -1.036 -2.045 1.00 0.00 C ATOM 769 CD LYS A 56 3.888 -1.371 -0.788 1.00 0.00 C ATOM 770 CE LYS A 56 3.922 -2.858 -0.465 1.00 0.00 C ATOM 771 NZ LYS A 56 5.230 -3.286 0.102 1.00 0.00 N ATOM 0 H LYS A 56 7.357 1.039 -2.535 1.00 0.00 H new ATOM 0 HA LYS A 56 6.093 0.057 -0.073 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.674 -1.113 -2.808 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.384 -2.178 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.457 -0.014 -2.351 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.362 -1.689 -2.857 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.291 -0.809 0.054 1.00 0.00 H new ATOM 0 HD3 LYS A 56 2.854 -1.053 -0.918 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.128 -3.091 0.244 1.00 0.00 H new ATOM 0 HE3 LYS A 56 3.718 -3.429 -1.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 5.796 -3.747 -0.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.741 -2.455 0.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.068 -3.956 0.881 1.00 0.00 H new ATOM 785 N GLY A 57 9.193 0.002 -0.563 1.00 0.00 N ATOM 786 CA GLY A 57 10.479 -0.472 -0.078 1.00 0.00 C ATOM 787 C GLY A 57 10.472 -0.849 1.395 1.00 0.00 C ATOM 788 O GLY A 57 10.945 -1.922 1.767 1.00 0.00 O ATOM 0 H GLY A 57 9.226 0.880 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.782 -1.339 -0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.228 0.302 -0.243 1.00 0.00 H new ATOM 792 N ILE A 58 9.936 0.032 2.234 1.00 0.00 N ATOM 793 CA ILE A 58 9.866 -0.209 3.669 1.00 0.00 C ATOM 794 C ILE A 58 8.723 0.595 4.271 1.00 0.00 C ATOM 795 O ILE A 58 8.941 1.490 5.088 1.00 0.00 O ATOM 796 CB ILE A 58 11.176 0.178 4.405 1.00 0.00 C ATOM 797 CG1 ILE A 58 12.412 -0.454 3.748 1.00 0.00 C ATOM 798 CG2 ILE A 58 11.089 -0.232 5.871 1.00 0.00 C ATOM 799 CD1 ILE A 58 12.842 0.212 2.458 1.00 0.00 C ATOM 0 H ILE A 58 9.541 0.926 1.941 1.00 0.00 H new ATOM 0 HA ILE A 58 9.706 -1.279 3.800 1.00 0.00 H new ATOM 0 HB ILE A 58 11.288 1.260 4.336 1.00 0.00 H new ATOM 0 HG12 ILE A 58 13.241 -0.420 4.454 1.00 0.00 H new ATOM 0 HG13 ILE A 58 12.205 -1.506 3.549 1.00 0.00 H new ATOM 0 HG21 ILE A 58 12.012 0.043 6.381 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.249 0.278 6.342 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.944 -1.310 5.939 1.00 0.00 H new ATOM 0 HD11 ILE A 58 13.721 -0.296 2.061 1.00 0.00 H new ATOM 0 HD12 ILE A 58 12.031 0.155 1.731 1.00 0.00 H new ATOM 0 HD13 ILE A 58 13.084 1.257 2.651 1.00 0.00 H new ATOM 811 N ALA A 59 7.503 0.296 3.844 1.00 0.00 N ATOM 812 CA ALA A 59 6.339 1.035 4.336 1.00 0.00 C ATOM 813 C ALA A 59 5.252 0.146 4.950 1.00 0.00 C ATOM 814 O ALA A 59 4.547 -0.575 4.248 1.00 0.00 O ATOM 815 CB ALA A 59 5.748 1.875 3.214 1.00 0.00 C ATOM 0 H ALA A 59 7.291 -0.439 3.170 1.00 0.00 H new ATOM 0 HA ALA A 59 6.701 1.673 5.142 1.00 0.00 H new ATOM 0 HB1 ALA A 59 4.882 2.422 3.587 1.00 0.00 H new ATOM 0 HB2 ALA A 59 6.497 2.581 2.855 1.00 0.00 H new ATOM 0 HB3 ALA A 59 5.441 1.224 2.395 1.00 0.00 H new ATOM 821 N VAL A 60 5.084 0.236 6.264 1.00 0.00 N ATOM 822 CA VAL A 60 4.049 -0.533 6.945 1.00 0.00 C ATOM 823 C VAL A 60 2.718 0.208 6.875 1.00 0.00 C ATOM 824 O VAL A 60 2.642 1.386 7.222 1.00 0.00 O ATOM 825 CB VAL A 60 4.409 -0.797 8.421 1.00 0.00 C ATOM 826 CG1 VAL A 60 4.559 0.511 9.182 1.00 0.00 C ATOM 827 CG2 VAL A 60 3.361 -1.686 9.076 1.00 0.00 C ATOM 0 H VAL A 60 5.646 0.829 6.875 1.00 0.00 H new ATOM 0 HA VAL A 60 3.969 -1.494 6.438 1.00 0.00 H new ATOM 0 HB VAL A 60 5.366 -1.317 8.452 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.813 0.300 10.221 1.00 0.00 H new ATOM 0 HG12 VAL A 60 5.351 1.107 8.728 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.621 1.064 9.143 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.632 -1.861 10.117 1.00 0.00 H new ATOM 0 HG22 VAL A 60 2.389 -1.195 9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 60 3.311 -2.639 8.549 1.00 0.00 H new ATOM 837 N PHE A 61 1.672 -0.474 6.418 1.00 0.00 N ATOM 838 CA PHE A 61 0.364 0.154 6.305 1.00 0.00 C ATOM 839 C PHE A 61 -0.755 -0.874 6.393 1.00 0.00 C ATOM 840 O PHE A 61 -0.600 -2.019 5.968 1.00 0.00 O ATOM 841 CB PHE A 61 0.269 0.954 5.003 1.00 0.00 C ATOM 842 CG PHE A 61 0.695 0.197 3.775 1.00 0.00 C ATOM 843 CD1 PHE A 61 -0.014 -0.908 3.334 1.00 0.00 C ATOM 844 CD2 PHE A 61 1.805 0.609 3.052 1.00 0.00 C ATOM 845 CE1 PHE A 61 0.380 -1.590 2.197 1.00 0.00 C ATOM 846 CE2 PHE A 61 2.199 -0.069 1.915 1.00 0.00 C ATOM 847 CZ PHE A 61 1.487 -1.170 1.488 1.00 0.00 C ATOM 0 H PHE A 61 1.705 -1.450 6.124 1.00 0.00 H new ATOM 0 HA PHE A 61 0.245 0.840 7.144 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.760 1.288 4.870 1.00 0.00 H new ATOM 0 HB3 PHE A 61 0.885 1.849 5.095 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -0.883 -1.240 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 61 2.368 1.470 3.382 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -0.179 -2.452 1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 61 3.064 0.263 1.361 1.00 0.00 H new ATOM 0 HZ PHE A 61 1.795 -1.703 0.600 1.00 0.00 H new ATOM 857 N HIS A 62 -1.878 -0.456 6.967 1.00 0.00 N ATOM 858 CA HIS A 62 -3.025 -1.338 7.137 1.00 0.00 C ATOM 859 C HIS A 62 -4.222 -0.836 6.333 1.00 0.00 C ATOM 860 O HIS A 62 -4.430 0.369 6.200 1.00 0.00 O ATOM 861 CB HIS A 62 -3.395 -1.425 8.619 1.00 0.00 C ATOM 862 CG HIS A 62 -2.218 -1.647 9.519 1.00 0.00 C ATOM 863 ND1 HIS A 62 -1.351 -2.712 9.381 1.00 0.00 N ATOM 864 CD2 HIS A 62 -1.767 -0.936 10.579 1.00 0.00 C ATOM 865 CE1 HIS A 62 -0.420 -2.644 10.316 1.00 0.00 C ATOM 866 NE2 HIS A 62 -0.650 -1.575 11.055 1.00 0.00 N ATOM 0 H HIS A 62 -2.018 0.490 7.323 1.00 0.00 H new ATOM 0 HA HIS A 62 -2.756 -2.328 6.770 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -3.899 -0.504 8.914 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -4.108 -2.237 8.760 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -2.205 -0.033 10.977 1.00 0.00 H new ATOM 0 HE1 HIS A 62 0.391 -3.344 10.452 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -0.088 -1.273 11.851 1.00 0.00 H new ATOM 875 N PHE A 63 -5.009 -1.768 5.806 1.00 0.00 N ATOM 876 CA PHE A 63 -6.188 -1.415 5.022 1.00 0.00 C ATOM 877 C PHE A 63 -7.435 -1.425 5.896 1.00 0.00 C ATOM 878 O PHE A 63 -7.500 -2.142 6.894 1.00 0.00 O ATOM 879 CB PHE A 63 -6.373 -2.383 3.850 1.00 0.00 C ATOM 880 CG PHE A 63 -5.264 -2.342 2.835 1.00 0.00 C ATOM 881 CD1 PHE A 63 -3.941 -2.488 3.222 1.00 0.00 C ATOM 882 CD2 PHE A 63 -5.548 -2.157 1.491 1.00 0.00 C ATOM 883 CE1 PHE A 63 -2.925 -2.451 2.287 1.00 0.00 C ATOM 884 CE2 PHE A 63 -4.535 -2.119 0.552 1.00 0.00 C ATOM 885 CZ PHE A 63 -3.222 -2.267 0.950 1.00 0.00 C ATOM 0 H PHE A 63 -4.853 -2.771 5.907 1.00 0.00 H new ATOM 0 HA PHE A 63 -6.038 -0.410 4.627 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -6.455 -3.397 4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -7.315 -2.156 3.351 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.702 -2.632 4.265 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -6.574 -2.041 1.174 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -1.898 -2.566 2.601 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -4.771 -1.974 -0.492 1.00 0.00 H new ATOM 0 HZ PHE A 63 -2.428 -2.239 0.218 1.00 0.00 H new ATOM 895 N ARG A 64 -8.423 -0.626 5.516 1.00 0.00 N ATOM 896 CA ARG A 64 -9.667 -0.542 6.266 1.00 0.00 C ATOM 897 C ARG A 64 -10.848 -0.397 5.313 1.00 0.00 C ATOM 898 O ARG A 64 -10.900 0.536 4.508 1.00 0.00 O ATOM 899 CB ARG A 64 -9.612 0.643 7.238 1.00 0.00 C ATOM 900 CG ARG A 64 -10.673 0.614 8.332 1.00 0.00 C ATOM 901 CD ARG A 64 -12.078 0.780 7.776 1.00 0.00 C ATOM 902 NE ARG A 64 -13.072 0.932 8.838 1.00 0.00 N ATOM 903 CZ ARG A 64 -13.118 1.970 9.669 1.00 0.00 C ATOM 904 NH1 ARG A 64 -12.262 2.977 9.536 1.00 0.00 N ATOM 905 NH2 ARG A 64 -14.034 2.011 10.629 1.00 0.00 N ATOM 0 H ARG A 64 -8.386 -0.026 4.692 1.00 0.00 H new ATOM 0 HA ARG A 64 -9.799 -1.459 6.840 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -8.627 0.668 7.705 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -9.719 1.567 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -10.608 -0.330 8.874 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -10.473 1.409 9.051 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -12.109 1.652 7.123 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -12.331 -0.086 7.164 1.00 0.00 H new ATOM 0 HE ARG A 64 -13.772 0.198 8.948 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -11.563 2.958 8.793 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -12.303 3.769 10.177 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -14.702 1.247 10.729 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -14.070 2.807 11.266 1.00 0.00 H new ATOM 919 N THR A 65 -11.793 -1.328 5.403 1.00 0.00 N ATOM 920 CA THR A 65 -12.973 -1.304 4.547 1.00 0.00 C ATOM 921 C THR A 65 -14.161 -0.692 5.290 1.00 0.00 C ATOM 922 O THR A 65 -14.430 -1.050 6.440 1.00 0.00 O ATOM 923 CB THR A 65 -13.323 -2.718 4.086 1.00 0.00 C ATOM 924 OG1 THR A 65 -12.215 -3.328 3.450 1.00 0.00 O ATOM 925 CG2 THR A 65 -14.486 -2.760 3.117 1.00 0.00 C ATOM 0 H THR A 65 -11.764 -2.108 6.060 1.00 0.00 H new ATOM 0 HA THR A 65 -12.750 -0.691 3.674 1.00 0.00 H new ATOM 0 HB THR A 65 -13.603 -3.255 4.992 1.00 0.00 H new ATOM 0 HG1 THR A 65 -12.459 -4.233 3.164 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.683 -3.793 2.829 1.00 0.00 H new ATOM 0 HG22 THR A 65 -15.372 -2.341 3.594 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.241 -2.176 2.230 1.00 0.00 H new ATOM 933 N PRO A 66 -14.892 0.237 4.644 1.00 0.00 N ATOM 934 CA PRO A 66 -16.055 0.892 5.253 1.00 0.00 C ATOM 935 C PRO A 66 -17.037 -0.113 5.848 1.00 0.00 C ATOM 936 O PRO A 66 -17.779 0.207 6.775 1.00 0.00 O ATOM 937 CB PRO A 66 -16.704 1.657 4.088 1.00 0.00 C ATOM 938 CG PRO A 66 -16.020 1.173 2.851 1.00 0.00 C ATOM 939 CD PRO A 66 -14.655 0.721 3.279 1.00 0.00 C ATOM 0 HA PRO A 66 -15.766 1.536 6.083 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -17.776 1.464 4.043 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -16.578 2.733 4.209 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -16.576 0.354 2.393 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.952 1.967 2.107 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -14.267 -0.065 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -13.933 1.537 3.258 1.00 0.00 H new ATOM 947 N GLN A 67 -17.026 -1.330 5.312 1.00 0.00 N ATOM 948 CA GLN A 67 -17.911 -2.382 5.797 1.00 0.00 C ATOM 949 C GLN A 67 -17.534 -2.806 7.216 1.00 0.00 C ATOM 950 O GLN A 67 -18.298 -3.500 7.887 1.00 0.00 O ATOM 951 CB GLN A 67 -17.859 -3.591 4.861 1.00 0.00 C ATOM 952 CG GLN A 67 -18.274 -3.275 3.433 1.00 0.00 C ATOM 953 CD GLN A 67 -19.691 -2.742 3.345 1.00 0.00 C ATOM 954 OE1 GLN A 67 -20.645 -3.416 3.734 1.00 0.00 O ATOM 955 NE2 GLN A 67 -19.836 -1.528 2.828 1.00 0.00 N ATOM 0 H GLN A 67 -16.416 -1.611 4.544 1.00 0.00 H new ATOM 0 HA GLN A 67 -18.926 -1.986 5.815 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -16.845 -3.992 4.855 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -18.509 -4.373 5.255 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -17.586 -2.541 3.012 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -18.190 -4.176 2.826 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -19.017 -1.004 2.518 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -20.766 -1.119 2.741 1.00 0.00 H new ATOM 964 N GLY A 68 -16.355 -2.383 7.669 1.00 0.00 N ATOM 965 CA GLY A 68 -15.906 -2.729 9.003 1.00 0.00 C ATOM 966 C GLY A 68 -14.863 -3.829 9.001 1.00 0.00 C ATOM 967 O GLY A 68 -14.945 -4.770 9.787 1.00 0.00 O ATOM 0 H GLY A 68 -15.705 -1.807 7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -15.493 -1.843 9.484 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -16.762 -3.046 9.599 1.00 0.00 H new ATOM 971 N GLU A 69 -13.876 -3.706 8.117 1.00 0.00 N ATOM 972 CA GLU A 69 -12.809 -4.700 8.028 1.00 0.00 C ATOM 973 C GLU A 69 -11.441 -4.048 8.181 1.00 0.00 C ATOM 974 O GLU A 69 -11.221 -2.927 7.719 1.00 0.00 O ATOM 975 CB GLU A 69 -12.881 -5.451 6.696 1.00 0.00 C ATOM 976 CG GLU A 69 -14.206 -6.159 6.466 1.00 0.00 C ATOM 977 CD GLU A 69 -14.515 -7.182 7.541 1.00 0.00 C ATOM 978 OE1 GLU A 69 -13.720 -8.133 7.702 1.00 0.00 O ATOM 979 OE2 GLU A 69 -15.552 -7.034 8.222 1.00 0.00 O ATOM 0 H GLU A 69 -13.792 -2.934 7.456 1.00 0.00 H new ATOM 0 HA GLU A 69 -12.948 -5.410 8.843 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -12.709 -4.747 5.882 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -12.076 -6.185 6.658 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.007 -5.421 6.431 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.186 -6.653 5.495 1.00 0.00 H new ATOM 986 N LEU A 70 -10.526 -4.753 8.838 1.00 0.00 N ATOM 987 CA LEU A 70 -9.179 -4.239 9.060 1.00 0.00 C ATOM 988 C LEU A 70 -8.121 -5.236 8.593 1.00 0.00 C ATOM 989 O LEU A 70 -8.010 -6.336 9.133 1.00 0.00 O ATOM 990 CB LEU A 70 -8.974 -3.920 10.541 1.00 0.00 C ATOM 991 CG LEU A 70 -7.588 -3.385 10.906 1.00 0.00 C ATOM 992 CD1 LEU A 70 -7.309 -2.080 10.173 1.00 0.00 C ATOM 993 CD2 LEU A 70 -7.472 -3.187 12.410 1.00 0.00 C ATOM 0 H LEU A 70 -10.692 -5.682 9.226 1.00 0.00 H new ATOM 0 HA LEU A 70 -9.069 -3.326 8.475 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -9.721 -3.186 10.845 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -9.161 -4.824 11.120 1.00 0.00 H new ATOM 0 HG LEU A 70 -6.844 -4.119 10.597 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -6.319 -1.714 10.445 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -7.350 -2.251 9.097 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.058 -1.339 10.451 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -6.480 -2.806 12.651 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -8.226 -2.473 12.742 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.628 -4.140 12.916 1.00 0.00 H new ATOM 1005 N VAL A 71 -7.339 -4.838 7.594 1.00 0.00 N ATOM 1006 CA VAL A 71 -6.279 -5.691 7.064 1.00 0.00 C ATOM 1007 C VAL A 71 -4.919 -5.020 7.234 1.00 0.00 C ATOM 1008 O VAL A 71 -4.837 -3.805 7.404 1.00 0.00 O ATOM 1009 CB VAL A 71 -6.505 -6.018 5.574 1.00 0.00 C ATOM 1010 CG1 VAL A 71 -5.430 -6.963 5.060 1.00 0.00 C ATOM 1011 CG2 VAL A 71 -7.891 -6.606 5.363 1.00 0.00 C ATOM 0 H VAL A 71 -7.419 -3.931 7.135 1.00 0.00 H new ATOM 0 HA VAL A 71 -6.300 -6.623 7.629 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.437 -5.091 5.004 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.609 -7.180 4.007 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -4.451 -6.497 5.173 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -5.458 -7.891 5.631 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -8.034 -6.831 4.306 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -7.990 -7.522 5.946 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -8.644 -5.887 5.686 1.00 0.00 H new ATOM 1021 N GLU A 72 -3.854 -5.817 7.202 1.00 0.00 N ATOM 1022 CA GLU A 72 -2.504 -5.285 7.368 1.00 0.00 C ATOM 1023 C GLU A 72 -1.600 -5.667 6.199 1.00 0.00 C ATOM 1024 O GLU A 72 -1.748 -6.736 5.609 1.00 0.00 O ATOM 1025 CB GLU A 72 -1.897 -5.793 8.678 1.00 0.00 C ATOM 1026 CG GLU A 72 -1.791 -7.308 8.750 1.00 0.00 C ATOM 1027 CD GLU A 72 -1.193 -7.789 10.058 1.00 0.00 C ATOM 1028 OE1 GLU A 72 -1.778 -7.496 11.122 1.00 0.00 O ATOM 1029 OE2 GLU A 72 -0.139 -8.457 10.018 1.00 0.00 O ATOM 0 H GLU A 72 -3.898 -6.827 7.064 1.00 0.00 H new ATOM 0 HA GLU A 72 -2.578 -4.198 7.395 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.904 -5.361 8.801 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -2.504 -5.439 9.512 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -2.782 -7.744 8.626 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -1.179 -7.666 7.922 1.00 0.00 H new ATOM 1036 N ILE A 73 -0.655 -4.782 5.877 1.00 0.00 N ATOM 1037 CA ILE A 73 0.285 -5.021 4.788 1.00 0.00 C ATOM 1038 C ILE A 73 1.619 -4.343 5.093 1.00 0.00 C ATOM 1039 O ILE A 73 1.720 -3.117 5.073 1.00 0.00 O ATOM 1040 CB ILE A 73 -0.260 -4.499 3.444 1.00 0.00 C ATOM 1041 CG1 ILE A 73 -1.578 -5.194 3.093 1.00 0.00 C ATOM 1042 CG2 ILE A 73 0.762 -4.707 2.333 1.00 0.00 C ATOM 1043 CD1 ILE A 73 -1.436 -6.686 2.864 1.00 0.00 C ATOM 0 H ILE A 73 -0.523 -3.892 6.358 1.00 0.00 H new ATOM 0 HA ILE A 73 0.427 -6.098 4.703 1.00 0.00 H new ATOM 0 HB ILE A 73 -0.448 -3.430 3.543 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -2.294 -5.025 3.898 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -1.993 -4.735 2.196 1.00 0.00 H new ATOM 0 HG21 ILE A 73 0.358 -4.332 1.392 1.00 0.00 H new ATOM 0 HG22 ILE A 73 1.678 -4.168 2.575 1.00 0.00 H new ATOM 0 HG23 ILE A 73 0.982 -5.770 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -2.410 -7.111 2.620 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -0.745 -6.863 2.039 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -1.051 -7.158 3.768 1.00 0.00 H new ATOM 1055 N ASP A 74 2.630 -5.146 5.395 1.00 0.00 N ATOM 1056 CA ASP A 74 3.947 -4.620 5.728 1.00 0.00 C ATOM 1057 C ASP A 74 4.714 -4.192 4.476 1.00 0.00 C ATOM 1058 O ASP A 74 4.762 -4.918 3.485 1.00 0.00 O ATOM 1059 CB ASP A 74 4.752 -5.666 6.501 1.00 0.00 C ATOM 1060 CG ASP A 74 6.012 -5.084 7.105 1.00 0.00 C ATOM 1061 OD1 ASP A 74 6.213 -3.857 6.986 1.00 0.00 O ATOM 1062 OD2 ASP A 74 6.793 -5.852 7.704 1.00 0.00 O ATOM 0 H ASP A 74 2.564 -6.164 5.416 1.00 0.00 H new ATOM 0 HA ASP A 74 3.804 -3.738 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 74 4.132 -6.087 7.293 1.00 0.00 H new ATOM 0 HB3 ASP A 74 5.016 -6.486 5.833 1.00 0.00 H new ATOM 1067 N GLY A 75 5.300 -3.001 4.534 1.00 0.00 N ATOM 1068 CA GLY A 75 6.052 -2.470 3.414 1.00 0.00 C ATOM 1069 C GLY A 75 7.535 -2.788 3.460 1.00 0.00 C ATOM 1070 O GLY A 75 8.236 -2.544 2.487 1.00 0.00 O ATOM 0 H GLY A 75 5.266 -2.388 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 75 5.634 -2.867 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 75 5.924 -1.388 3.384 1.00 0.00 H new ATOM 1074 N ARG A 76 8.030 -3.278 4.597 1.00 0.00 N ATOM 1075 CA ARG A 76 9.450 -3.589 4.729 1.00 0.00 C ATOM 1076 C ARG A 76 9.731 -5.027 4.309 1.00 0.00 C ATOM 1077 O ARG A 76 10.760 -5.326 3.706 1.00 0.00 O ATOM 1078 CB ARG A 76 9.931 -3.362 6.164 1.00 0.00 C ATOM 1079 CG ARG A 76 9.337 -4.330 7.173 1.00 0.00 C ATOM 1080 CD ARG A 76 9.854 -4.062 8.577 1.00 0.00 C ATOM 1081 NE ARG A 76 9.272 -4.976 9.557 1.00 0.00 N ATOM 1082 CZ ARG A 76 9.550 -4.943 10.859 1.00 0.00 C ATOM 1083 NH1 ARG A 76 10.398 -4.044 11.342 1.00 0.00 N ATOM 1084 NH2 ARG A 76 8.975 -5.812 11.679 1.00 0.00 N ATOM 0 H ARG A 76 7.474 -3.466 5.431 1.00 0.00 H new ATOM 0 HA ARG A 76 9.998 -2.917 4.069 1.00 0.00 H new ATOM 0 HB2 ARG A 76 11.017 -3.447 6.190 1.00 0.00 H new ATOM 0 HB3 ARG A 76 9.683 -2.344 6.463 1.00 0.00 H new ATOM 0 HG2 ARG A 76 8.250 -4.246 7.163 1.00 0.00 H new ATOM 0 HG3 ARG A 76 9.580 -5.352 6.884 1.00 0.00 H new ATOM 0 HD2 ARG A 76 10.939 -4.161 8.589 1.00 0.00 H new ATOM 0 HD3 ARG A 76 9.624 -3.034 8.858 1.00 0.00 H new ATOM 0 HE ARG A 76 8.614 -5.681 9.224 1.00 0.00 H new ATOM 0 HH11 ARG A 76 10.841 -3.373 10.715 1.00 0.00 H new ATOM 0 HH12 ARG A 76 10.606 -4.024 12.340 1.00 0.00 H new ATOM 0 HH21 ARG A 76 8.321 -6.504 11.312 1.00 0.00 H new ATOM 0 HH22 ARG A 76 9.186 -5.789 12.677 1.00 0.00 H new ATOM 1098 N ALA A 77 8.801 -5.905 4.641 1.00 0.00 N ATOM 1099 CA ALA A 77 8.912 -7.322 4.316 1.00 0.00 C ATOM 1100 C ALA A 77 8.573 -7.601 2.849 1.00 0.00 C ATOM 1101 O ALA A 77 8.602 -8.750 2.408 1.00 0.00 O ATOM 1102 CB ALA A 77 8.012 -8.140 5.228 1.00 0.00 C ATOM 0 H ALA A 77 7.948 -5.659 5.143 1.00 0.00 H new ATOM 0 HA ALA A 77 9.950 -7.615 4.474 1.00 0.00 H new ATOM 0 HB1 ALA A 77 8.103 -9.197 4.976 1.00 0.00 H new ATOM 0 HB2 ALA A 77 8.310 -7.987 6.265 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.977 -7.824 5.097 1.00 0.00 H new ATOM 1108 N LEU A 78 8.253 -6.550 2.098 1.00 0.00 N ATOM 1109 CA LEU A 78 7.910 -6.685 0.690 1.00 0.00 C ATOM 1110 C LEU A 78 8.846 -5.840 -0.163 1.00 0.00 C ATOM 1111 O LEU A 78 8.417 -5.089 -1.040 1.00 0.00 O ATOM 1112 CB LEU A 78 6.455 -6.284 0.451 1.00 0.00 C ATOM 1113 CG LEU A 78 5.416 -7.242 1.044 1.00 0.00 C ATOM 1114 CD1 LEU A 78 5.544 -8.625 0.422 1.00 0.00 C ATOM 1115 CD2 LEU A 78 5.562 -7.326 2.557 1.00 0.00 C ATOM 0 H LEU A 78 8.225 -5.592 2.446 1.00 0.00 H new ATOM 0 HA LEU A 78 8.027 -7.730 0.402 1.00 0.00 H new ATOM 0 HB2 LEU A 78 6.293 -5.291 0.870 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.286 -6.208 -0.623 1.00 0.00 H new ATOM 0 HG LEU A 78 4.425 -6.850 0.815 1.00 0.00 H new ATOM 0 HD11 LEU A 78 4.798 -9.290 0.857 1.00 0.00 H new ATOM 0 HD12 LEU A 78 5.386 -8.556 -0.654 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.540 -9.021 0.618 1.00 0.00 H new ATOM 0 HD21 LEU A 78 4.815 -8.011 2.957 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.559 -7.690 2.807 1.00 0.00 H new ATOM 0 HD23 LEU A 78 5.417 -6.337 2.992 1.00 0.00 H new ATOM 1127 N VAL A 79 10.130 -5.985 0.117 1.00 0.00 N ATOM 1128 CA VAL A 79 11.185 -5.263 -0.591 1.00 0.00 C ATOM 1129 C VAL A 79 10.994 -5.333 -2.108 1.00 0.00 C ATOM 1130 O VAL A 79 10.239 -6.164 -2.613 1.00 0.00 O ATOM 1131 CB VAL A 79 12.573 -5.832 -0.228 1.00 0.00 C ATOM 1132 CG1 VAL A 79 13.683 -5.038 -0.902 1.00 0.00 C ATOM 1133 CG2 VAL A 79 12.763 -5.848 1.280 1.00 0.00 C ATOM 0 H VAL A 79 10.477 -6.609 0.845 1.00 0.00 H new ATOM 0 HA VAL A 79 11.125 -4.220 -0.279 1.00 0.00 H new ATOM 0 HB VAL A 79 12.626 -6.857 -0.594 1.00 0.00 H new ATOM 0 HG11 VAL A 79 14.650 -5.461 -0.629 1.00 0.00 H new ATOM 0 HG12 VAL A 79 13.559 -5.085 -1.984 1.00 0.00 H new ATOM 0 HG13 VAL A 79 13.636 -3.999 -0.577 1.00 0.00 H new ATOM 0 HG21 VAL A 79 13.747 -6.252 1.518 1.00 0.00 H new ATOM 0 HG22 VAL A 79 12.684 -4.832 1.667 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.994 -6.471 1.737 1.00 0.00 H new ATOM 1143 N ALA A 80 11.679 -4.441 -2.823 1.00 0.00 N ATOM 1144 CA ALA A 80 11.590 -4.371 -4.281 1.00 0.00 C ATOM 1145 C ALA A 80 11.699 -5.760 -4.909 1.00 0.00 C ATOM 1146 O ALA A 80 12.091 -6.716 -4.240 1.00 0.00 O ATOM 1147 CB ALA A 80 12.670 -3.454 -4.821 1.00 0.00 C ATOM 0 H ALA A 80 12.307 -3.751 -2.411 1.00 0.00 H new ATOM 0 HA ALA A 80 10.614 -3.964 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 80 12.597 -3.407 -5.908 1.00 0.00 H new ATOM 0 HB2 ALA A 80 12.540 -2.455 -4.405 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.650 -3.840 -4.539 1.00 0.00 H new ATOM 1153 N ARG A 81 11.316 -5.878 -6.183 1.00 0.00 N ATOM 1154 CA ARG A 81 11.345 -7.174 -6.850 1.00 0.00 C ATOM 1155 C ARG A 81 12.780 -7.637 -7.103 1.00 0.00 C ATOM 1156 O ARG A 81 13.519 -7.002 -7.850 1.00 0.00 O ATOM 1157 CB ARG A 81 10.561 -7.150 -8.163 1.00 0.00 C ATOM 1158 CG ARG A 81 10.785 -5.912 -9.013 1.00 0.00 C ATOM 1159 CD ARG A 81 9.656 -4.904 -8.843 1.00 0.00 C ATOM 1160 NE ARG A 81 9.633 -3.914 -9.918 1.00 0.00 N ATOM 1161 CZ ARG A 81 9.327 -4.203 -11.181 1.00 0.00 C ATOM 1162 NH1 ARG A 81 9.026 -5.447 -11.531 1.00 0.00 N ATOM 1163 NH2 ARG A 81 9.313 -3.244 -12.094 1.00 0.00 N ATOM 0 H ARG A 81 10.988 -5.104 -6.761 1.00 0.00 H new ATOM 0 HA ARG A 81 10.864 -7.886 -6.180 1.00 0.00 H new ATOM 0 HB2 ARG A 81 10.831 -8.029 -8.748 1.00 0.00 H new ATOM 0 HB3 ARG A 81 9.498 -7.232 -7.937 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.732 -5.448 -8.739 1.00 0.00 H new ATOM 0 HG3 ARG A 81 10.863 -6.199 -10.062 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.702 -5.431 -8.816 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.767 -4.395 -7.885 1.00 0.00 H new ATOM 0 HE ARG A 81 9.864 -2.948 -9.688 1.00 0.00 H new ATOM 0 HH11 ARG A 81 9.028 -6.189 -10.831 1.00 0.00 H new ATOM 0 HH12 ARG A 81 8.792 -5.662 -12.500 1.00 0.00 H new ATOM 0 HH21 ARG A 81 9.537 -2.285 -11.829 1.00 0.00 H new ATOM 0 HH22 ARG A 81 9.079 -3.465 -13.062 1.00 0.00 H new ATOM 1177 N PRO A 82 13.195 -8.748 -6.470 1.00 0.00 N ATOM 1178 CA PRO A 82 14.555 -9.286 -6.613 1.00 0.00 C ATOM 1179 C PRO A 82 14.974 -9.563 -8.053 1.00 0.00 C ATOM 1180 O PRO A 82 15.930 -8.972 -8.555 1.00 0.00 O ATOM 1181 CB PRO A 82 14.510 -10.594 -5.817 1.00 0.00 C ATOM 1182 CG PRO A 82 13.400 -10.410 -4.845 1.00 0.00 C ATOM 1183 CD PRO A 82 12.380 -9.560 -5.547 1.00 0.00 C ATOM 0 HA PRO A 82 15.290 -8.563 -6.259 1.00 0.00 H new ATOM 0 HB2 PRO A 82 14.327 -11.448 -6.469 1.00 0.00 H new ATOM 0 HB3 PRO A 82 15.455 -10.779 -5.307 1.00 0.00 H new ATOM 0 HG2 PRO A 82 12.974 -11.369 -4.551 1.00 0.00 H new ATOM 0 HG3 PRO A 82 13.753 -9.926 -3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 82 11.650 -10.167 -6.082 1.00 0.00 H new ATOM 0 HD3 PRO A 82 11.824 -8.937 -4.846 1.00 0.00 H new ATOM 1191 N GLU A 83 14.290 -10.497 -8.693 1.00 0.00 N ATOM 1192 CA GLU A 83 14.633 -10.889 -10.062 1.00 0.00 C ATOM 1193 C GLU A 83 13.660 -10.355 -11.113 1.00 0.00 C ATOM 1194 O GLU A 83 13.983 -10.342 -12.300 1.00 0.00 O ATOM 1195 CB GLU A 83 14.704 -12.413 -10.160 1.00 0.00 C ATOM 1196 CG GLU A 83 15.709 -13.045 -9.209 1.00 0.00 C ATOM 1197 CD GLU A 83 17.132 -12.589 -9.471 1.00 0.00 C ATOM 1198 OE1 GLU A 83 17.399 -11.376 -9.355 1.00 0.00 O ATOM 1199 OE2 GLU A 83 17.980 -13.449 -9.791 1.00 0.00 O ATOM 0 H GLU A 83 13.497 -10.999 -8.294 1.00 0.00 H new ATOM 0 HA GLU A 83 15.603 -10.442 -10.277 1.00 0.00 H new ATOM 0 HB2 GLU A 83 13.716 -12.827 -9.957 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.962 -12.690 -11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 83 15.436 -12.799 -8.183 1.00 0.00 H new ATOM 0 HG3 GLU A 83 15.657 -14.130 -9.301 1.00 0.00 H new ATOM 1206 N GLU A 84 12.475 -9.930 -10.696 1.00 0.00 N ATOM 1207 CA GLU A 84 11.490 -9.418 -11.651 1.00 0.00 C ATOM 1208 C GLU A 84 12.065 -8.250 -12.448 1.00 0.00 C ATOM 1209 O GLU A 84 11.886 -8.171 -13.664 1.00 0.00 O ATOM 1210 CB GLU A 84 10.207 -8.981 -10.941 1.00 0.00 C ATOM 1211 CG GLU A 84 9.648 -10.027 -9.991 1.00 0.00 C ATOM 1212 CD GLU A 84 8.365 -9.577 -9.315 1.00 0.00 C ATOM 1213 OE1 GLU A 84 7.912 -8.447 -9.591 1.00 0.00 O ATOM 1214 OE2 GLU A 84 7.816 -10.356 -8.509 1.00 0.00 O ATOM 0 H GLU A 84 12.172 -9.927 -9.722 1.00 0.00 H new ATOM 0 HA GLU A 84 11.246 -10.229 -12.338 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.405 -8.065 -10.384 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.451 -8.742 -11.689 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.460 -10.949 -10.542 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.394 -10.257 -9.230 1.00 0.00 H new ATOM 1221 N ARG A 85 12.761 -7.352 -11.759 1.00 0.00 N ATOM 1222 CA ARG A 85 13.367 -6.194 -12.409 1.00 0.00 C ATOM 1223 C ARG A 85 14.298 -5.453 -11.455 1.00 0.00 C ATOM 1224 O ARG A 85 15.463 -5.211 -11.773 1.00 0.00 O ATOM 1225 CB ARG A 85 12.289 -5.238 -12.922 1.00 0.00 C ATOM 1226 CG ARG A 85 12.854 -4.027 -13.647 1.00 0.00 C ATOM 1227 CD ARG A 85 11.752 -3.084 -14.104 1.00 0.00 C ATOM 1228 NE ARG A 85 12.284 -1.918 -14.808 1.00 0.00 N ATOM 1229 CZ ARG A 85 13.025 -0.976 -14.231 1.00 0.00 C ATOM 1230 NH1 ARG A 85 13.293 -1.033 -12.931 1.00 0.00 N ATOM 1231 NH2 ARG A 85 13.489 0.035 -14.951 1.00 0.00 N ATOM 0 H ARG A 85 12.920 -7.403 -10.753 1.00 0.00 H new ATOM 0 HA ARG A 85 13.952 -6.559 -13.253 1.00 0.00 H new ATOM 0 HB2 ARG A 85 11.625 -5.779 -13.596 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.684 -4.899 -12.081 1.00 0.00 H new ATOM 0 HG2 ARG A 85 13.539 -3.494 -12.988 1.00 0.00 H new ATOM 0 HG3 ARG A 85 13.433 -4.356 -14.510 1.00 0.00 H new ATOM 0 HD2 ARG A 85 11.065 -3.620 -14.759 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.176 -2.754 -13.239 1.00 0.00 H new ATOM 0 HE ARG A 85 12.074 -1.821 -15.801 1.00 0.00 H new ATOM 0 HH11 ARG A 85 12.930 -1.803 -12.369 1.00 0.00 H new ATOM 0 HH12 ARG A 85 13.862 -0.307 -12.495 1.00 0.00 H new ATOM 0 HH21 ARG A 85 13.278 0.091 -15.947 1.00 0.00 H new ATOM 0 HH22 ARG A 85 14.057 0.758 -14.509 1.00 0.00 H new ATOM 1245 N ILE A 86 13.777 -5.088 -10.288 1.00 0.00 N ATOM 1246 CA ILE A 86 14.566 -4.370 -9.297 1.00 0.00 C ATOM 1247 C ILE A 86 15.800 -5.175 -8.890 1.00 0.00 C ATOM 1248 O ILE A 86 15.693 -6.303 -8.413 1.00 0.00 O ATOM 1249 CB ILE A 86 13.739 -4.012 -8.049 1.00 0.00 C ATOM 1250 CG1 ILE A 86 12.562 -3.114 -8.447 1.00 0.00 C ATOM 1251 CG2 ILE A 86 14.619 -3.316 -7.017 1.00 0.00 C ATOM 1252 CD1 ILE A 86 12.988 -1.783 -9.031 1.00 0.00 C ATOM 0 H ILE A 86 12.815 -5.277 -10.007 1.00 0.00 H new ATOM 0 HA ILE A 86 14.887 -3.440 -9.765 1.00 0.00 H new ATOM 0 HB ILE A 86 13.347 -4.927 -7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 86 11.944 -3.640 -9.175 1.00 0.00 H new ATOM 0 HG13 ILE A 86 11.940 -2.935 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 86 14.023 -3.068 -6.139 1.00 0.00 H new ATOM 0 HG22 ILE A 86 15.434 -3.979 -6.727 1.00 0.00 H new ATOM 0 HG23 ILE A 86 15.030 -2.403 -7.446 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.104 -1.200 -9.290 1.00 0.00 H new ATOM 0 HD12 ILE A 86 13.581 -1.237 -8.297 1.00 0.00 H new ATOM 0 HD13 ILE A 86 13.586 -1.953 -9.927 1.00 0.00 H new TER 1264 ILE A 86