USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 670 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 SER OG : rot -15:sc= -2.29! USER MOD Set 1.2: A 14 THR OG1 : rot -23:sc= -2.8! USER MOD Set 1.3: A 20 SER OG : rot -150:sc= -0.613 USER MOD Single : A 1 GLY N :NH3+ 177:sc= -0.166 (180deg=-0.186) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= -0.961! USER MOD Single : A 12 CYS SG : rot -142:sc= -4.58! USER MOD Single : A 13 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.205) USER MOD Single : A 15 TYR OH : rot 130:sc= -6.88! USER MOD Single : A 16 CYS SG : rot -47:sc= 0.256! USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot -24:sc= -0.799! USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -125:sc= -12.6! (180deg=-17.7!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN :FLIP amide:sc= -3.85! C(o=-4.6!,f=-3.9!) USER MOD Single : A 35 LYS NZ :NH3+ -179:sc= -2.43 (180deg=-2.43) USER MOD Single : A 40 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= -0.594 USER MOD Single : A 43 SER OG : rot -83:sc= -4.03! USER MOD Single : A 46 TYR OH : rot 180:sc= -2.23! USER MOD Single : A 47 SER OG : rot 180:sc= -1.55! USER MOD Single : A 50 SER OG : rot 136:sc= -5.2! USER MOD Single : A 55 THR OG1 : rot 131:sc= -14.9! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.244 X(o=-0.24,f=-0.7) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.111 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.467 -7.615 12.179 1.00 0.00 N ATOM 2 CA GLY A 1 10.749 -7.726 10.922 1.00 0.00 C ATOM 3 C GLY A 1 9.491 -6.854 10.929 1.00 0.00 C ATOM 4 O GLY A 1 8.700 -6.891 9.988 1.00 0.00 O ATOM 0 H1 GLY A 1 12.287 -8.254 12.168 1.00 0.00 H new ATOM 0 H2 GLY A 1 11.793 -6.636 12.307 1.00 0.00 H new ATOM 0 H3 GLY A 1 10.836 -7.876 12.963 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.399 -7.426 10.100 1.00 0.00 H new ATOM 0 HA3 GLY A 1 10.474 -8.766 10.747 1.00 0.00 H new ATOM 8 N GLU A 2 9.348 -6.090 12.002 1.00 0.00 N ATOM 9 CA GLU A 2 8.200 -5.211 12.144 1.00 0.00 C ATOM 10 C GLU A 2 8.098 -4.271 10.941 1.00 0.00 C ATOM 11 O GLU A 2 7.219 -3.413 10.892 1.00 0.00 O ATOM 12 CB GLU A 2 8.274 -4.421 13.453 1.00 0.00 C ATOM 13 CG GLU A 2 7.123 -4.797 14.387 1.00 0.00 C ATOM 14 CD GLU A 2 6.590 -3.567 15.124 1.00 0.00 C ATOM 15 OE1 GLU A 2 5.901 -2.732 14.520 1.00 0.00 O ATOM 16 OE2 GLU A 2 6.914 -3.495 16.371 1.00 0.00 O ATOM 0 H GLU A 2 10.007 -6.061 12.780 1.00 0.00 H new ATOM 0 HA GLU A 2 7.299 -5.824 12.178 1.00 0.00 H new ATOM 0 HB2 GLU A 2 9.226 -4.617 13.946 1.00 0.00 H new ATOM 0 HB3 GLU A 2 8.239 -3.353 13.239 1.00 0.00 H new ATOM 0 HG2 GLU A 2 6.319 -5.257 13.812 1.00 0.00 H new ATOM 0 HG3 GLU A 2 7.464 -5.539 15.109 1.00 0.00 H new ATOM 24 N ALA A 3 9.011 -4.465 10.000 1.00 0.00 N ATOM 25 CA ALA A 3 9.034 -3.646 8.801 1.00 0.00 C ATOM 26 C ALA A 3 7.924 -4.105 7.852 1.00 0.00 C ATOM 27 O ALA A 3 7.322 -3.289 7.156 1.00 0.00 O ATOM 28 CB ALA A 3 10.420 -3.723 8.157 1.00 0.00 C ATOM 0 H ALA A 3 9.740 -5.177 10.044 1.00 0.00 H new ATOM 0 HA ALA A 3 8.846 -2.601 9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 3 10.438 -3.108 7.257 1.00 0.00 H new ATOM 0 HB2 ALA A 3 11.169 -3.358 8.860 1.00 0.00 H new ATOM 0 HB3 ALA A 3 10.642 -4.757 7.894 1.00 0.00 H new ATOM 34 N VAL A 4 7.687 -5.408 7.858 1.00 0.00 N ATOM 35 CA VAL A 4 6.660 -5.985 7.007 1.00 0.00 C ATOM 36 C VAL A 4 5.432 -5.073 7.008 1.00 0.00 C ATOM 37 O VAL A 4 4.952 -4.670 5.949 1.00 0.00 O ATOM 38 CB VAL A 4 6.346 -7.411 7.460 1.00 0.00 C ATOM 39 CG1 VAL A 4 7.153 -8.433 6.655 1.00 0.00 C ATOM 40 CG2 VAL A 4 6.594 -7.578 8.961 1.00 0.00 C ATOM 0 H VAL A 4 8.188 -6.081 8.438 1.00 0.00 H new ATOM 0 HA VAL A 4 7.012 -6.056 5.978 1.00 0.00 H new ATOM 0 HB VAL A 4 5.288 -7.596 7.272 1.00 0.00 H new ATOM 0 HG11 VAL A 4 6.911 -9.439 6.997 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.906 -8.340 5.597 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.218 -8.248 6.796 1.00 0.00 H new ATOM 0 HG21 VAL A 4 6.363 -8.601 9.256 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.639 -7.364 9.183 1.00 0.00 H new ATOM 0 HG23 VAL A 4 5.957 -6.888 9.514 1.00 0.00 H new ATOM 50 N ILE A 5 4.956 -4.775 8.209 1.00 0.00 N ATOM 51 CA ILE A 5 3.793 -3.919 8.362 1.00 0.00 C ATOM 52 C ILE A 5 4.241 -2.456 8.385 1.00 0.00 C ATOM 53 O ILE A 5 3.635 -1.606 7.735 1.00 0.00 O ATOM 54 CB ILE A 5 2.979 -4.334 9.589 1.00 0.00 C ATOM 55 CG1 ILE A 5 2.823 -5.854 9.655 1.00 0.00 C ATOM 56 CG2 ILE A 5 1.629 -3.615 9.620 1.00 0.00 C ATOM 57 CD1 ILE A 5 3.732 -6.543 8.637 1.00 0.00 C ATOM 0 H ILE A 5 5.356 -5.112 9.085 1.00 0.00 H new ATOM 0 HA ILE A 5 3.122 -4.033 7.511 1.00 0.00 H new ATOM 0 HB ILE A 5 3.525 -4.029 10.481 1.00 0.00 H new ATOM 0 HG12 ILE A 5 3.064 -6.205 10.659 1.00 0.00 H new ATOM 0 HG13 ILE A 5 1.785 -6.125 9.463 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.070 -3.928 10.502 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.791 -2.538 9.656 1.00 0.00 H new ATOM 0 HG23 ILE A 5 1.062 -3.866 8.724 1.00 0.00 H new ATOM 0 HD11 ILE A 5 3.601 -7.623 8.705 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.472 -6.209 7.633 1.00 0.00 H new ATOM 0 HD13 ILE A 5 4.771 -6.289 8.847 1.00 0.00 H new ATOM 69 N LYS A 6 5.299 -2.207 9.143 1.00 0.00 N ATOM 70 CA LYS A 6 5.836 -0.862 9.261 1.00 0.00 C ATOM 71 C LYS A 6 5.936 -0.234 7.869 1.00 0.00 C ATOM 72 O LYS A 6 5.652 0.951 7.698 1.00 0.00 O ATOM 73 CB LYS A 6 7.162 -0.880 10.023 1.00 0.00 C ATOM 74 CG LYS A 6 6.930 -0.738 11.530 1.00 0.00 C ATOM 75 CD LYS A 6 6.873 0.735 11.941 1.00 0.00 C ATOM 76 CE LYS A 6 6.127 0.907 13.264 1.00 0.00 C ATOM 77 NZ LYS A 6 7.072 0.861 14.403 1.00 0.00 N ATOM 0 H LYS A 6 5.799 -2.914 9.682 1.00 0.00 H new ATOM 0 HA LYS A 6 5.166 -0.234 9.848 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.690 -1.811 9.819 1.00 0.00 H new ATOM 0 HB3 LYS A 6 7.799 -0.068 9.671 1.00 0.00 H new ATOM 0 HG2 LYS A 6 5.999 -1.232 11.806 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.731 -1.240 12.073 1.00 0.00 H new ATOM 0 HD2 LYS A 6 7.885 1.129 12.036 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.377 1.314 11.162 1.00 0.00 H new ATOM 0 HE2 LYS A 6 5.592 1.857 13.266 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.380 0.121 13.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.548 0.979 15.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 7.563 -0.056 14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 7.769 1.627 14.307 1.00 0.00 H new ATOM 90 N VAL A 7 6.338 -1.055 6.912 1.00 0.00 N ATOM 91 CA VAL A 7 6.479 -0.595 5.540 1.00 0.00 C ATOM 92 C VAL A 7 5.090 -0.419 4.921 1.00 0.00 C ATOM 93 O VAL A 7 4.687 0.698 4.601 1.00 0.00 O ATOM 94 CB VAL A 7 7.366 -1.559 4.752 1.00 0.00 C ATOM 95 CG1 VAL A 7 6.562 -2.289 3.675 1.00 0.00 C ATOM 96 CG2 VAL A 7 8.564 -0.829 4.143 1.00 0.00 C ATOM 0 H VAL A 7 6.571 -2.037 7.058 1.00 0.00 H new ATOM 0 HA VAL A 7 6.974 0.376 5.512 1.00 0.00 H new ATOM 0 HB VAL A 7 7.748 -2.306 5.447 1.00 0.00 H new ATOM 0 HG11 VAL A 7 7.217 -2.968 3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 7 5.759 -2.858 4.143 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.136 -1.562 2.983 1.00 0.00 H new ATOM 0 HG21 VAL A 7 9.178 -1.538 3.588 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.210 -0.049 3.468 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.158 -0.379 4.938 1.00 0.00 H new ATOM 106 N ILE A 8 4.398 -1.538 4.773 1.00 0.00 N ATOM 107 CA ILE A 8 3.064 -1.522 4.198 1.00 0.00 C ATOM 108 C ILE A 8 2.272 -0.355 4.791 1.00 0.00 C ATOM 109 O ILE A 8 1.537 0.328 4.078 1.00 0.00 O ATOM 110 CB ILE A 8 2.385 -2.881 4.379 1.00 0.00 C ATOM 111 CG1 ILE A 8 1.439 -3.182 3.215 1.00 0.00 C ATOM 112 CG2 ILE A 8 1.674 -2.962 5.733 1.00 0.00 C ATOM 113 CD1 ILE A 8 2.205 -3.270 1.895 1.00 0.00 C ATOM 0 H ILE A 8 4.736 -2.462 5.041 1.00 0.00 H new ATOM 0 HA ILE A 8 3.116 -1.359 3.121 1.00 0.00 H new ATOM 0 HB ILE A 8 3.156 -3.652 4.373 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.917 -4.121 3.400 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.680 -2.403 3.148 1.00 0.00 H new ATOM 0 HG21 ILE A 8 1.199 -3.938 5.837 1.00 0.00 H new ATOM 0 HG22 ILE A 8 2.400 -2.824 6.534 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.916 -2.181 5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 8 1.509 -3.485 1.084 1.00 0.00 H new ATOM 0 HD12 ILE A 8 2.706 -2.322 1.701 1.00 0.00 H new ATOM 0 HD13 ILE A 8 2.947 -4.066 1.957 1.00 0.00 H new ATOM 125 N SER A 9 2.448 -0.161 6.089 1.00 0.00 N ATOM 126 CA SER A 9 1.760 0.913 6.786 1.00 0.00 C ATOM 127 C SER A 9 2.293 2.268 6.318 1.00 0.00 C ATOM 128 O SER A 9 1.560 3.056 5.725 1.00 0.00 O ATOM 129 CB SER A 9 1.916 0.774 8.302 1.00 0.00 C ATOM 130 OG SER A 9 2.768 1.780 8.844 1.00 0.00 O ATOM 0 H SER A 9 3.057 -0.729 6.677 1.00 0.00 H new ATOM 0 HA SER A 9 0.698 0.848 6.550 1.00 0.00 H new ATOM 0 HB2 SER A 9 0.936 0.835 8.775 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.322 -0.210 8.536 1.00 0.00 H new ATOM 0 HG SER A 9 2.841 1.659 9.814 1.00 0.00 H new ATOM 136 N SER A 10 3.568 2.497 6.605 1.00 0.00 N ATOM 137 CA SER A 10 4.209 3.743 6.221 1.00 0.00 C ATOM 138 C SER A 10 4.391 3.792 4.703 1.00 0.00 C ATOM 139 O SER A 10 3.999 4.764 4.059 1.00 0.00 O ATOM 140 CB SER A 10 5.559 3.907 6.922 1.00 0.00 C ATOM 141 OG SER A 10 5.631 5.122 7.662 1.00 0.00 O ATOM 0 H SER A 10 4.173 1.841 7.099 1.00 0.00 H new ATOM 0 HA SER A 10 3.566 4.567 6.531 1.00 0.00 H new ATOM 0 HB2 SER A 10 5.724 3.064 7.592 1.00 0.00 H new ATOM 0 HB3 SER A 10 6.358 3.886 6.180 1.00 0.00 H new ATOM 0 HG SER A 10 4.908 5.720 7.380 1.00 0.00 H new ATOM 147 N ALA A 11 4.984 2.731 4.175 1.00 0.00 N ATOM 148 CA ALA A 11 5.221 2.641 2.744 1.00 0.00 C ATOM 149 C ALA A 11 3.924 2.953 1.996 1.00 0.00 C ATOM 150 O ALA A 11 3.956 3.335 0.826 1.00 0.00 O ATOM 151 CB ALA A 11 5.772 1.254 2.404 1.00 0.00 C ATOM 0 H ALA A 11 5.307 1.927 4.712 1.00 0.00 H new ATOM 0 HA ALA A 11 5.966 3.373 2.431 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.950 1.186 1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 11 6.709 1.094 2.938 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.050 0.493 2.701 1.00 0.00 H new ATOM 157 N CYS A 12 2.816 2.780 2.700 1.00 0.00 N ATOM 158 CA CYS A 12 1.510 3.039 2.115 1.00 0.00 C ATOM 159 C CYS A 12 1.340 4.552 1.972 1.00 0.00 C ATOM 160 O CYS A 12 1.256 5.068 0.858 1.00 0.00 O ATOM 161 CB CYS A 12 0.386 2.415 2.945 1.00 0.00 C ATOM 162 SG CYS A 12 -1.197 3.259 2.589 1.00 0.00 S ATOM 0 H CYS A 12 2.794 2.464 3.670 1.00 0.00 H new ATOM 0 HA CYS A 12 1.450 2.573 1.132 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.301 1.353 2.716 1.00 0.00 H new ATOM 0 HB3 CYS A 12 0.619 2.495 4.007 1.00 0.00 H new ATOM 0 HG CYS A 12 -1.883 3.376 3.687 1.00 0.00 H new ATOM 168 N LYS A 13 1.295 5.223 3.114 1.00 0.00 N ATOM 169 CA LYS A 13 1.135 6.667 3.129 1.00 0.00 C ATOM 170 C LYS A 13 2.514 7.326 3.203 1.00 0.00 C ATOM 171 O LYS A 13 2.778 8.303 2.502 1.00 0.00 O ATOM 172 CB LYS A 13 0.191 7.090 4.255 1.00 0.00 C ATOM 173 CG LYS A 13 -1.072 7.746 3.693 1.00 0.00 C ATOM 174 CD LYS A 13 -0.827 9.223 3.375 1.00 0.00 C ATOM 175 CE LYS A 13 -2.145 9.951 3.105 1.00 0.00 C ATOM 176 NZ LYS A 13 -2.057 10.731 1.850 1.00 0.00 N ATOM 0 H LYS A 13 1.367 4.793 4.036 1.00 0.00 H new ATOM 0 HA LYS A 13 0.666 7.008 2.206 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -0.082 6.220 4.852 1.00 0.00 H new ATOM 0 HB3 LYS A 13 0.702 7.786 4.920 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.387 7.223 2.790 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -1.885 7.655 4.414 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -0.310 9.697 4.209 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -0.175 9.308 2.505 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.959 9.229 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -2.378 10.615 3.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -2.699 11.548 1.903 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -1.081 11.066 1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -2.329 10.129 1.047 1.00 0.00 H new ATOM 189 N THR A 14 3.358 6.766 4.057 1.00 0.00 N ATOM 190 CA THR A 14 4.703 7.288 4.231 1.00 0.00 C ATOM 191 C THR A 14 5.477 7.217 2.914 1.00 0.00 C ATOM 192 O THR A 14 6.363 8.033 2.666 1.00 0.00 O ATOM 193 CB THR A 14 5.367 6.511 5.370 1.00 0.00 C ATOM 194 OG1 THR A 14 4.342 6.388 6.351 1.00 0.00 O ATOM 195 CG2 THR A 14 6.460 7.320 6.071 1.00 0.00 C ATOM 0 H THR A 14 3.137 5.956 4.636 1.00 0.00 H new ATOM 0 HA THR A 14 4.686 8.343 4.504 1.00 0.00 H new ATOM 0 HB THR A 14 5.794 5.588 4.979 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.681 7.101 6.225 1.00 0.00 H new ATOM 0 HG21 THR A 14 6.899 6.723 6.870 1.00 0.00 H new ATOM 0 HG22 THR A 14 7.234 7.587 5.351 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.028 8.228 6.492 1.00 0.00 H new ATOM 203 N TYR A 15 5.115 6.233 2.105 1.00 0.00 N ATOM 204 CA TYR A 15 5.764 6.045 0.818 1.00 0.00 C ATOM 205 C TYR A 15 5.425 7.189 -0.141 1.00 0.00 C ATOM 206 O TYR A 15 6.263 8.048 -0.409 1.00 0.00 O ATOM 207 CB TYR A 15 5.207 4.738 0.250 1.00 0.00 C ATOM 208 CG TYR A 15 6.175 3.997 -0.673 1.00 0.00 C ATOM 209 CD1 TYR A 15 7.158 4.695 -1.345 1.00 0.00 C ATOM 210 CD2 TYR A 15 6.067 2.630 -0.833 1.00 0.00 C ATOM 211 CE1 TYR A 15 8.070 3.998 -2.215 1.00 0.00 C ATOM 212 CE2 TYR A 15 6.978 1.933 -1.703 1.00 0.00 C ATOM 213 CZ TYR A 15 7.935 2.651 -2.350 1.00 0.00 C ATOM 214 OH TYR A 15 8.796 1.992 -3.171 1.00 0.00 O ATOM 0 H TYR A 15 4.381 5.557 2.315 1.00 0.00 H new ATOM 0 HA TYR A 15 6.847 6.021 0.936 1.00 0.00 H new ATOM 0 HB2 TYR A 15 4.935 4.082 1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 15 4.291 4.954 -0.300 1.00 0.00 H new ATOM 0 HD1 TYR A 15 7.243 5.764 -1.218 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.299 2.084 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 15 8.843 4.532 -2.748 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.903 0.864 -1.839 1.00 0.00 H new ATOM 0 HH TYR A 15 9.175 1.222 -2.698 1.00 0.00 H new ATOM 224 N CYS A 16 4.194 7.164 -0.629 1.00 0.00 N ATOM 225 CA CYS A 16 3.733 8.188 -1.551 1.00 0.00 C ATOM 226 C CYS A 16 2.801 9.134 -0.793 1.00 0.00 C ATOM 227 O CYS A 16 1.723 9.470 -1.277 1.00 0.00 O ATOM 228 CB CYS A 16 3.050 7.577 -2.777 1.00 0.00 C ATOM 229 SG CYS A 16 2.357 8.904 -3.831 1.00 0.00 S ATOM 0 H CYS A 16 3.501 6.450 -0.403 1.00 0.00 H new ATOM 0 HA CYS A 16 4.587 8.749 -1.932 1.00 0.00 H new ATOM 0 HB2 CYS A 16 3.767 6.986 -3.346 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.257 6.899 -2.462 1.00 0.00 H new ATOM 0 HG CYS A 16 1.704 9.750 -3.091 1.00 0.00 H new ATOM 235 N GLY A 17 3.254 9.538 0.387 1.00 0.00 N ATOM 236 CA GLY A 17 2.474 10.439 1.218 1.00 0.00 C ATOM 237 C GLY A 17 3.342 11.064 2.312 1.00 0.00 C ATOM 238 O GLY A 17 3.085 12.186 2.749 1.00 0.00 O ATOM 0 H GLY A 17 4.150 9.258 0.786 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.039 11.225 0.600 1.00 0.00 H new ATOM 0 HA3 GLY A 17 1.645 9.895 1.672 1.00 0.00 H new ATOM 242 N LYS A 18 4.352 10.313 2.723 1.00 0.00 N ATOM 243 CA LYS A 18 5.259 10.778 3.758 1.00 0.00 C ATOM 244 C LYS A 18 4.531 11.784 4.653 1.00 0.00 C ATOM 245 O LYS A 18 5.073 12.841 4.974 1.00 0.00 O ATOM 246 CB LYS A 18 6.544 11.327 3.137 1.00 0.00 C ATOM 247 CG LYS A 18 6.294 12.674 2.457 1.00 0.00 C ATOM 248 CD LYS A 18 7.318 13.716 2.912 1.00 0.00 C ATOM 249 CE LYS A 18 6.660 15.085 3.095 1.00 0.00 C ATOM 250 NZ LYS A 18 7.648 16.167 2.880 1.00 0.00 N ATOM 0 H LYS A 18 4.563 9.384 2.358 1.00 0.00 H new ATOM 0 HA LYS A 18 5.568 9.949 4.394 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.305 11.441 3.909 1.00 0.00 H new ATOM 0 HB3 LYS A 18 6.933 10.615 2.409 1.00 0.00 H new ATOM 0 HG2 LYS A 18 6.347 12.555 1.375 1.00 0.00 H new ATOM 0 HG3 LYS A 18 5.288 13.022 2.690 1.00 0.00 H new ATOM 0 HD2 LYS A 18 7.773 13.399 3.850 1.00 0.00 H new ATOM 0 HD3 LYS A 18 8.120 13.789 2.177 1.00 0.00 H new ATOM 0 HE2 LYS A 18 5.833 15.195 2.393 1.00 0.00 H new ATOM 0 HE3 LYS A 18 6.240 15.162 4.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 7.186 17.090 3.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 8.424 16.070 3.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 8.030 16.102 1.915 1.00 0.00 H new ATOM 263 N THR A 19 3.315 11.419 5.032 1.00 0.00 N ATOM 264 CA THR A 19 2.508 12.276 5.882 1.00 0.00 C ATOM 265 C THR A 19 1.422 11.459 6.586 1.00 0.00 C ATOM 266 O THR A 19 0.421 12.010 7.038 1.00 0.00 O ATOM 267 CB THR A 19 1.950 13.410 5.021 1.00 0.00 C ATOM 268 OG1 THR A 19 3.112 14.041 4.487 1.00 0.00 O ATOM 269 CG2 THR A 19 1.282 14.505 5.854 1.00 0.00 C ATOM 0 H THR A 19 2.869 10.541 4.766 1.00 0.00 H new ATOM 0 HA THR A 19 3.107 12.718 6.678 1.00 0.00 H new ATOM 0 HB THR A 19 1.230 13.006 4.310 1.00 0.00 H new ATOM 0 HG1 THR A 19 3.877 13.869 5.075 1.00 0.00 H new ATOM 0 HG21 THR A 19 0.904 15.285 5.193 1.00 0.00 H new ATOM 0 HG22 THR A 19 0.455 14.077 6.421 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.010 14.934 6.542 1.00 0.00 H new ATOM 277 N SER A 20 1.658 10.157 6.655 1.00 0.00 N ATOM 278 CA SER A 20 0.713 9.258 7.296 1.00 0.00 C ATOM 279 C SER A 20 0.053 9.955 8.488 1.00 0.00 C ATOM 280 O SER A 20 0.590 9.942 9.594 1.00 0.00 O ATOM 281 CB SER A 20 1.399 7.968 7.749 1.00 0.00 C ATOM 282 OG SER A 20 1.885 7.205 6.647 1.00 0.00 O ATOM 0 H SER A 20 2.490 9.703 6.278 1.00 0.00 H new ATOM 0 HA SER A 20 -0.054 8.993 6.568 1.00 0.00 H new ATOM 0 HB2 SER A 20 2.227 8.212 8.414 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.695 7.366 8.324 1.00 0.00 H new ATOM 0 HG SER A 20 1.871 6.252 6.877 1.00 0.00 H new ATOM 288 N PRO A 21 -1.134 10.560 8.214 1.00 0.00 N ATOM 289 CA PRO A 21 -1.872 11.262 9.250 1.00 0.00 C ATOM 290 C PRO A 21 -2.556 10.275 10.198 1.00 0.00 C ATOM 291 O PRO A 21 -2.381 10.352 11.413 1.00 0.00 O ATOM 292 CB PRO A 21 -2.857 12.146 8.502 1.00 0.00 C ATOM 293 CG PRO A 21 -2.954 11.568 7.100 1.00 0.00 C ATOM 294 CD PRO A 21 -1.800 10.596 6.916 1.00 0.00 C ATOM 0 HA PRO A 21 -1.228 11.862 9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -3.831 12.147 8.992 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -2.512 13.180 8.475 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -3.908 11.059 6.962 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -2.906 12.363 6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -2.157 9.608 6.627 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -1.121 10.931 6.132 1.00 0.00 H new ATOM 302 N SER A 22 -3.322 9.370 9.607 1.00 0.00 N ATOM 303 CA SER A 22 -4.033 8.368 10.383 1.00 0.00 C ATOM 304 C SER A 22 -4.923 7.529 9.465 1.00 0.00 C ATOM 305 O SER A 22 -4.767 6.311 9.388 1.00 0.00 O ATOM 306 CB SER A 22 -4.873 9.019 11.485 1.00 0.00 C ATOM 307 OG SER A 22 -4.768 8.319 12.721 1.00 0.00 O ATOM 0 H SER A 22 -3.466 9.310 8.599 1.00 0.00 H new ATOM 0 HA SER A 22 -3.298 7.719 10.858 1.00 0.00 H new ATOM 0 HB2 SER A 22 -4.551 10.051 11.624 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.917 9.050 11.174 1.00 0.00 H new ATOM 0 HG SER A 22 -5.317 8.767 13.398 1.00 0.00 H new ATOM 313 N LYS A 23 -5.836 8.212 8.791 1.00 0.00 N ATOM 314 CA LYS A 23 -6.751 7.544 7.881 1.00 0.00 C ATOM 315 C LYS A 23 -6.041 7.286 6.550 1.00 0.00 C ATOM 316 O LYS A 23 -5.022 7.910 6.255 1.00 0.00 O ATOM 317 CB LYS A 23 -8.047 8.342 7.742 1.00 0.00 C ATOM 318 CG LYS A 23 -9.110 7.837 8.721 1.00 0.00 C ATOM 319 CD LYS A 23 -10.156 6.983 8.001 1.00 0.00 C ATOM 320 CE LYS A 23 -11.351 6.696 8.913 1.00 0.00 C ATOM 321 NZ LYS A 23 -12.289 5.756 8.258 1.00 0.00 N ATOM 0 H LYS A 23 -5.962 9.222 8.857 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.044 6.573 8.280 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.850 9.398 7.927 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.420 8.261 6.721 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.636 7.251 9.508 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.597 8.684 9.204 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.495 7.498 7.102 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.705 6.044 7.679 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -11.003 6.274 9.856 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -11.866 7.627 9.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -13.094 5.572 8.890 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.634 6.173 7.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.798 4.862 8.053 1.00 0.00 H new ATOM 334 N LYS A 24 -6.608 6.370 5.781 1.00 0.00 N ATOM 335 CA LYS A 24 -6.042 6.022 4.488 1.00 0.00 C ATOM 336 C LYS A 24 -4.708 5.304 4.696 1.00 0.00 C ATOM 337 O LYS A 24 -4.571 4.130 4.354 1.00 0.00 O ATOM 338 CB LYS A 24 -5.941 7.262 3.598 1.00 0.00 C ATOM 339 CG LYS A 24 -7.330 7.789 3.232 1.00 0.00 C ATOM 340 CD LYS A 24 -7.361 9.319 3.262 1.00 0.00 C ATOM 341 CE LYS A 24 -8.655 9.828 3.903 1.00 0.00 C ATOM 342 NZ LYS A 24 -9.753 9.843 2.911 1.00 0.00 N ATOM 0 H LYS A 24 -7.454 5.857 6.028 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.697 5.330 3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.378 8.039 4.114 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -5.390 7.018 2.690 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -7.607 7.435 2.239 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -8.069 7.393 3.929 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -6.503 9.693 3.820 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -7.276 9.708 2.247 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -8.926 9.191 4.745 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -8.501 10.832 4.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -10.623 10.191 3.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -9.498 10.469 2.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -9.910 8.880 2.552 1.00 0.00 H new ATOM 355 N GLU A 25 -3.758 6.037 5.255 1.00 0.00 N ATOM 356 CA GLU A 25 -2.438 5.486 5.513 1.00 0.00 C ATOM 357 C GLU A 25 -2.546 4.004 5.878 1.00 0.00 C ATOM 358 O GLU A 25 -2.465 3.138 5.007 1.00 0.00 O ATOM 359 CB GLU A 25 -1.720 6.270 6.612 1.00 0.00 C ATOM 360 CG GLU A 25 -2.711 6.771 7.666 1.00 0.00 C ATOM 361 CD GLU A 25 -2.205 6.477 9.079 1.00 0.00 C ATOM 362 OE1 GLU A 25 -2.567 5.448 9.666 1.00 0.00 O ATOM 363 OE2 GLU A 25 -1.403 7.364 9.566 1.00 0.00 O ATOM 0 H GLU A 25 -3.876 7.010 5.537 1.00 0.00 H new ATOM 0 HA GLU A 25 -1.844 5.576 4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.970 5.636 7.085 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -1.191 7.116 6.174 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -2.863 7.844 7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -3.679 6.293 7.516 1.00 0.00 H new ATOM 371 N ILE A 26 -2.729 3.756 7.166 1.00 0.00 N ATOM 372 CA ILE A 26 -2.848 2.393 7.657 1.00 0.00 C ATOM 373 C ILE A 26 -3.945 1.669 6.876 1.00 0.00 C ATOM 374 O ILE A 26 -3.860 0.462 6.654 1.00 0.00 O ATOM 375 CB ILE A 26 -3.065 2.386 9.172 1.00 0.00 C ATOM 376 CG1 ILE A 26 -1.824 2.897 9.907 1.00 0.00 C ATOM 377 CG2 ILE A 26 -3.490 0.999 9.658 1.00 0.00 C ATOM 378 CD1 ILE A 26 -2.190 3.455 11.282 1.00 0.00 C ATOM 0 H ILE A 26 -2.798 4.476 7.885 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.921 1.845 7.489 1.00 0.00 H new ATOM 0 HB ILE A 26 -3.880 3.072 9.404 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.105 2.086 10.020 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.340 3.672 9.314 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -3.638 1.021 10.738 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -4.422 0.712 9.170 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -2.714 0.274 9.413 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -1.289 3.811 11.782 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.890 4.282 11.164 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.652 2.671 11.882 1.00 0.00 H new ATOM 390 N GLY A 27 -4.949 2.436 6.479 1.00 0.00 N ATOM 391 CA GLY A 27 -6.063 1.882 5.726 1.00 0.00 C ATOM 392 C GLY A 27 -5.565 1.044 4.547 1.00 0.00 C ATOM 393 O GLY A 27 -5.566 -0.185 4.610 1.00 0.00 O ATOM 0 H GLY A 27 -5.015 3.437 6.664 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -6.678 1.265 6.381 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.697 2.690 5.361 1.00 0.00 H new ATOM 397 N ALA A 28 -5.149 1.741 3.501 1.00 0.00 N ATOM 398 CA ALA A 28 -4.649 1.077 2.310 1.00 0.00 C ATOM 399 C ALA A 28 -3.620 0.019 2.713 1.00 0.00 C ATOM 400 O ALA A 28 -3.651 -1.104 2.215 1.00 0.00 O ATOM 401 CB ALA A 28 -4.069 2.117 1.349 1.00 0.00 C ATOM 0 H ALA A 28 -5.148 2.760 3.453 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.459 0.567 1.788 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.694 1.618 0.456 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.847 2.827 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.252 2.648 1.838 1.00 0.00 H new ATOM 407 N MET A 29 -2.734 0.417 3.614 1.00 0.00 N ATOM 408 CA MET A 29 -1.697 -0.483 4.092 1.00 0.00 C ATOM 409 C MET A 29 -2.258 -1.887 4.332 1.00 0.00 C ATOM 410 O MET A 29 -1.725 -2.868 3.816 1.00 0.00 O ATOM 411 CB MET A 29 -1.109 0.062 5.395 1.00 0.00 C ATOM 412 CG MET A 29 -0.716 -1.078 6.338 1.00 0.00 C ATOM 413 SD MET A 29 -1.448 -0.819 7.946 1.00 0.00 S ATOM 414 CE MET A 29 -0.683 -2.154 8.851 1.00 0.00 C ATOM 0 H MET A 29 -2.712 1.350 4.026 1.00 0.00 H new ATOM 0 HA MET A 29 -0.919 -0.548 3.331 1.00 0.00 H new ATOM 0 HB2 MET A 29 -0.235 0.675 5.175 1.00 0.00 H new ATOM 0 HB3 MET A 29 -1.837 0.709 5.884 1.00 0.00 H new ATOM 0 HG2 MET A 29 -1.048 -2.032 5.927 1.00 0.00 H new ATOM 0 HG3 MET A 29 0.369 -1.130 6.427 1.00 0.00 H new ATOM 0 HE1 MET A 29 -1.455 -2.770 9.313 1.00 0.00 H new ATOM 0 HE2 MET A 29 -0.092 -2.765 8.168 1.00 0.00 H new ATOM 0 HE3 MET A 29 -0.034 -1.744 9.625 1.00 0.00 H new ATOM 424 N LEU A 30 -3.324 -1.936 5.115 1.00 0.00 N ATOM 425 CA LEU A 30 -3.963 -3.204 5.430 1.00 0.00 C ATOM 426 C LEU A 30 -5.093 -3.462 4.431 1.00 0.00 C ATOM 427 O LEU A 30 -5.119 -4.503 3.776 1.00 0.00 O ATOM 428 CB LEU A 30 -4.416 -3.227 6.892 1.00 0.00 C ATOM 429 CG LEU A 30 -3.719 -4.246 7.793 1.00 0.00 C ATOM 430 CD1 LEU A 30 -2.235 -4.366 7.442 1.00 0.00 C ATOM 431 CD2 LEU A 30 -3.933 -3.909 9.271 1.00 0.00 C ATOM 0 H LEU A 30 -3.762 -1.120 5.541 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.253 -4.025 5.328 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.264 -2.234 7.315 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.488 -3.423 6.917 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.171 -5.222 7.616 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.764 -5.098 8.098 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -2.131 -4.688 6.406 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.751 -3.398 7.571 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.427 -4.650 9.890 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.525 -2.920 9.481 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.000 -3.917 9.495 1.00 0.00 H new ATOM 443 N SER A 31 -5.997 -2.499 4.348 1.00 0.00 N ATOM 444 CA SER A 31 -7.127 -2.609 3.439 1.00 0.00 C ATOM 445 C SER A 31 -6.628 -2.792 2.005 1.00 0.00 C ATOM 446 O SER A 31 -7.103 -3.672 1.286 1.00 0.00 O ATOM 447 CB SER A 31 -8.032 -1.380 3.534 1.00 0.00 C ATOM 448 OG SER A 31 -9.397 -1.736 3.739 1.00 0.00 O ATOM 0 H SER A 31 -5.971 -1.638 4.895 1.00 0.00 H new ATOM 0 HA SER A 31 -7.714 -3.481 3.727 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.696 -0.745 4.354 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.944 -0.793 2.620 1.00 0.00 H new ATOM 0 HG SER A 31 -9.942 -0.923 3.796 1.00 0.00 H new ATOM 454 N LEU A 32 -5.678 -1.948 1.629 1.00 0.00 N ATOM 455 CA LEU A 32 -5.111 -2.006 0.294 1.00 0.00 C ATOM 456 C LEU A 32 -4.582 -3.417 0.028 1.00 0.00 C ATOM 457 O LEU A 32 -5.081 -4.115 -0.853 1.00 0.00 O ATOM 458 CB LEU A 32 -4.059 -0.910 0.109 1.00 0.00 C ATOM 459 CG LEU A 32 -4.043 -0.216 -1.253 1.00 0.00 C ATOM 460 CD1 LEU A 32 -4.502 -1.168 -2.359 1.00 0.00 C ATOM 461 CD2 LEU A 32 -4.872 1.070 -1.223 1.00 0.00 C ATOM 0 H LEU A 32 -5.287 -1.220 2.227 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.879 -1.808 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.213 -0.153 0.878 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.075 -1.346 0.284 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.015 0.069 -1.479 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.481 -0.649 -3.317 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.835 -2.029 -2.398 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.517 -1.505 -2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.844 1.544 -2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.904 0.832 -0.964 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.460 1.751 -0.479 1.00 0.00 H new ATOM 473 N LEU A 33 -3.580 -3.794 0.809 1.00 0.00 N ATOM 474 CA LEU A 33 -2.979 -5.110 0.669 1.00 0.00 C ATOM 475 C LEU A 33 -3.994 -6.177 1.082 1.00 0.00 C ATOM 476 O LEU A 33 -4.295 -7.086 0.309 1.00 0.00 O ATOM 477 CB LEU A 33 -1.661 -5.181 1.445 1.00 0.00 C ATOM 478 CG LEU A 33 -0.488 -4.404 0.847 1.00 0.00 C ATOM 479 CD1 LEU A 33 0.157 -5.183 -0.301 1.00 0.00 C ATOM 480 CD2 LEU A 33 -0.922 -3.002 0.415 1.00 0.00 C ATOM 0 H LEU A 33 -3.170 -3.212 1.540 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.721 -5.303 -0.372 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.837 -4.813 2.456 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -1.370 -6.228 1.533 1.00 0.00 H new ATOM 0 HG LEU A 33 0.271 -4.282 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.989 -4.608 -0.709 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.525 -6.140 0.070 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.582 -5.357 -1.083 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.069 -2.471 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -1.708 -3.080 -0.336 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.299 -2.455 1.279 1.00 0.00 H new ATOM 492 N GLN A 34 -4.495 -6.032 2.300 1.00 0.00 N ATOM 493 CA GLN A 34 -5.471 -6.971 2.826 1.00 0.00 C ATOM 494 C GLN A 34 -6.766 -6.900 2.015 1.00 0.00 C ATOM 495 O GLN A 34 -7.751 -7.555 2.353 1.00 0.00 O ATOM 496 CB GLN A 34 -5.738 -6.711 4.309 1.00 0.00 C ATOM 497 CG GLN A 34 -6.059 -8.016 5.045 1.00 0.00 C ATOM 498 CD GLN A 34 -7.556 -8.119 5.349 1.00 0.00 C ATOM 499 OE1 GLN A 34 -7.856 -7.983 6.637 1.00 0.00 O flip ATOM 500 NE2 GLN A 34 -8.381 -8.311 4.472 1.00 0.00 N flip ATOM 0 H GLN A 34 -4.243 -5.277 2.938 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.063 -7.978 2.735 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.866 -6.239 4.762 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.570 -6.015 4.416 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -5.748 -8.866 4.438 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.491 -8.063 5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.081 -8.406 3.502 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -9.371 -8.376 4.709 1.00 0.00 H new ATOM 509 N LYS A 35 -6.723 -6.100 0.959 1.00 0.00 N ATOM 510 CA LYS A 35 -7.882 -5.935 0.097 1.00 0.00 C ATOM 511 C LYS A 35 -7.420 -5.863 -1.360 1.00 0.00 C ATOM 512 O LYS A 35 -8.084 -5.248 -2.194 1.00 0.00 O ATOM 513 CB LYS A 35 -8.712 -4.729 0.542 1.00 0.00 C ATOM 514 CG LYS A 35 -10.203 -4.974 0.302 1.00 0.00 C ATOM 515 CD LYS A 35 -10.631 -4.453 -1.072 1.00 0.00 C ATOM 516 CE LYS A 35 -12.155 -4.438 -1.202 1.00 0.00 C ATOM 517 NZ LYS A 35 -12.576 -3.504 -2.272 1.00 0.00 N ATOM 0 H LYS A 35 -5.904 -5.559 0.681 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.546 -6.796 0.179 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.537 -4.533 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.393 -3.841 -0.004 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.416 -6.041 0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.786 -4.480 1.080 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.240 -3.447 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.202 -5.081 -1.853 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.517 -5.442 -1.425 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.604 -4.140 -0.254 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.614 -3.494 -2.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.233 -2.547 -2.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.177 -3.815 -3.181 1.00 0.00 H new ATOM 530 N GLU A 36 -6.288 -6.497 -1.621 1.00 0.00 N ATOM 531 CA GLU A 36 -5.731 -6.512 -2.963 1.00 0.00 C ATOM 532 C GLU A 36 -5.054 -7.856 -3.242 1.00 0.00 C ATOM 533 O GLU A 36 -4.391 -8.019 -4.266 1.00 0.00 O ATOM 534 CB GLU A 36 -4.752 -5.353 -3.163 1.00 0.00 C ATOM 535 CG GLU A 36 -5.492 -4.073 -3.560 1.00 0.00 C ATOM 536 CD GLU A 36 -4.580 -3.140 -4.359 1.00 0.00 C ATOM 537 OE1 GLU A 36 -4.932 -1.970 -4.580 1.00 0.00 O ATOM 538 OE2 GLU A 36 -3.471 -3.665 -4.754 1.00 0.00 O ATOM 0 H GLU A 36 -5.740 -7.005 -0.926 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.546 -6.383 -3.675 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.191 -5.183 -2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -4.028 -5.613 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -6.371 -4.325 -4.154 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.848 -3.562 -2.666 1.00 0.00 H new ATOM 546 N GLY A 37 -5.244 -8.782 -2.315 1.00 0.00 N ATOM 547 CA GLY A 37 -4.662 -10.106 -2.448 1.00 0.00 C ATOM 548 C GLY A 37 -3.482 -10.286 -1.489 1.00 0.00 C ATOM 549 O GLY A 37 -2.521 -10.986 -1.804 1.00 0.00 O ATOM 0 H GLY A 37 -5.794 -8.641 -1.467 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -5.420 -10.862 -2.244 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -4.328 -10.259 -3.474 1.00 0.00 H new ATOM 553 N LEU A 38 -3.594 -9.639 -0.338 1.00 0.00 N ATOM 554 CA LEU A 38 -2.549 -9.716 0.669 1.00 0.00 C ATOM 555 C LEU A 38 -3.179 -10.028 2.028 1.00 0.00 C ATOM 556 O LEU A 38 -2.894 -9.356 3.017 1.00 0.00 O ATOM 557 CB LEU A 38 -1.702 -8.443 0.662 1.00 0.00 C ATOM 558 CG LEU A 38 -0.987 -8.121 -0.652 1.00 0.00 C ATOM 559 CD1 LEU A 38 -0.313 -9.367 -1.230 1.00 0.00 C ATOM 560 CD2 LEU A 38 -1.944 -7.471 -1.652 1.00 0.00 C ATOM 0 H LEU A 38 -4.393 -9.059 -0.080 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.860 -10.530 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -2.345 -7.601 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.953 -8.524 1.450 1.00 0.00 H new ATOM 0 HG LEU A 38 -0.199 -7.397 -0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.188 -9.110 -2.164 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.420 -9.748 -0.518 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.065 -10.132 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.410 -7.252 -2.577 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.769 -8.152 -1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.336 -6.545 -1.232 1.00 0.00 H new ATOM 572 N LEU A 39 -4.025 -11.048 2.032 1.00 0.00 N ATOM 573 CA LEU A 39 -4.698 -11.457 3.253 1.00 0.00 C ATOM 574 C LEU A 39 -3.954 -12.646 3.868 1.00 0.00 C ATOM 575 O LEU A 39 -4.471 -13.310 4.762 1.00 0.00 O ATOM 576 CB LEU A 39 -6.178 -11.733 2.983 1.00 0.00 C ATOM 577 CG LEU A 39 -7.171 -11.043 3.921 1.00 0.00 C ATOM 578 CD1 LEU A 39 -8.596 -11.541 3.674 1.00 0.00 C ATOM 579 CD2 LEU A 39 -6.750 -11.210 5.382 1.00 0.00 C ATOM 0 H LEU A 39 -4.260 -11.603 1.209 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.676 -10.651 3.987 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -6.403 -11.429 1.961 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -6.343 -12.809 3.040 1.00 0.00 H new ATOM 0 HG LEU A 39 -7.162 -9.975 3.703 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -9.281 -11.035 4.354 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.883 -11.328 2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -8.641 -12.616 3.848 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.472 -10.711 6.028 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.713 -12.271 5.631 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.765 -10.768 5.530 1.00 0.00 H new ATOM 591 N MET A 40 -2.752 -12.876 3.360 1.00 0.00 N ATOM 592 CA MET A 40 -1.930 -13.972 3.848 1.00 0.00 C ATOM 593 C MET A 40 -0.885 -13.472 4.846 1.00 0.00 C ATOM 594 O MET A 40 0.137 -14.123 5.058 1.00 0.00 O ATOM 595 CB MET A 40 -1.230 -14.648 2.667 1.00 0.00 C ATOM 596 CG MET A 40 -1.140 -16.161 2.877 1.00 0.00 C ATOM 597 SD MET A 40 -2.324 -16.991 1.830 1.00 0.00 S ATOM 598 CE MET A 40 -1.282 -18.259 1.128 1.00 0.00 C ATOM 0 H MET A 40 -2.327 -12.323 2.616 1.00 0.00 H new ATOM 0 HA MET A 40 -2.575 -14.688 4.357 1.00 0.00 H new ATOM 0 HB2 MET A 40 -1.775 -14.437 1.747 1.00 0.00 H new ATOM 0 HB3 MET A 40 -0.229 -14.234 2.547 1.00 0.00 H new ATOM 0 HG2 MET A 40 -0.133 -16.509 2.649 1.00 0.00 H new ATOM 0 HG3 MET A 40 -1.332 -16.404 3.922 1.00 0.00 H new ATOM 0 HE1 MET A 40 -1.867 -18.874 0.444 1.00 0.00 H new ATOM 0 HE2 MET A 40 -0.459 -17.794 0.584 1.00 0.00 H new ATOM 0 HE3 MET A 40 -0.882 -18.884 1.926 1.00 0.00 H new ATOM 608 N SER A 41 -1.177 -12.321 5.433 1.00 0.00 N ATOM 609 CA SER A 41 -0.274 -11.727 6.404 1.00 0.00 C ATOM 610 C SER A 41 0.467 -10.544 5.775 1.00 0.00 C ATOM 611 O SER A 41 0.817 -10.583 4.596 1.00 0.00 O ATOM 612 CB SER A 41 0.725 -12.758 6.932 1.00 0.00 C ATOM 613 OG SER A 41 1.373 -12.314 8.121 1.00 0.00 O ATOM 0 H SER A 41 -2.026 -11.784 5.255 1.00 0.00 H new ATOM 0 HA SER A 41 -0.866 -11.371 7.247 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.207 -13.696 7.130 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.473 -12.963 6.166 1.00 0.00 H new ATOM 0 HG SER A 41 2.001 -13.001 8.427 1.00 0.00 H new ATOM 619 N PRO A 42 0.689 -9.496 6.611 1.00 0.00 N ATOM 620 CA PRO A 42 1.382 -8.305 6.149 1.00 0.00 C ATOM 621 C PRO A 42 2.884 -8.562 6.016 1.00 0.00 C ATOM 622 O PRO A 42 3.633 -7.686 5.582 1.00 0.00 O ATOM 623 CB PRO A 42 1.052 -7.234 7.176 1.00 0.00 C ATOM 624 CG PRO A 42 0.574 -7.975 8.414 1.00 0.00 C ATOM 625 CD PRO A 42 0.288 -9.414 8.013 1.00 0.00 C ATOM 0 HA PRO A 42 1.066 -7.994 5.153 1.00 0.00 H new ATOM 0 HB2 PRO A 42 1.928 -6.625 7.400 1.00 0.00 H new ATOM 0 HB3 PRO A 42 0.281 -6.560 6.803 1.00 0.00 H new ATOM 0 HG2 PRO A 42 1.332 -7.940 9.197 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -0.323 -7.505 8.818 1.00 0.00 H new ATOM 0 HD2 PRO A 42 0.852 -10.116 8.628 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -0.767 -9.657 8.138 1.00 0.00 H new ATOM 633 N SER A 43 3.283 -9.766 6.397 1.00 0.00 N ATOM 634 CA SER A 43 4.682 -10.150 6.324 1.00 0.00 C ATOM 635 C SER A 43 5.136 -10.203 4.865 1.00 0.00 C ATOM 636 O SER A 43 6.333 -10.177 4.582 1.00 0.00 O ATOM 637 CB SER A 43 4.918 -11.500 7.004 1.00 0.00 C ATOM 638 OG SER A 43 5.770 -11.384 8.141 1.00 0.00 O ATOM 0 H SER A 43 2.661 -10.489 6.758 1.00 0.00 H new ATOM 0 HA SER A 43 5.270 -9.400 6.852 1.00 0.00 H new ATOM 0 HB2 SER A 43 3.961 -11.924 7.310 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.360 -12.194 6.289 1.00 0.00 H new ATOM 0 HG SER A 43 6.706 -11.392 7.851 1.00 0.00 H new ATOM 644 N ASP A 44 4.156 -10.279 3.976 1.00 0.00 N ATOM 645 CA ASP A 44 4.440 -10.338 2.553 1.00 0.00 C ATOM 646 C ASP A 44 5.688 -9.506 2.251 1.00 0.00 C ATOM 647 O ASP A 44 6.520 -9.901 1.437 1.00 0.00 O ATOM 648 CB ASP A 44 3.280 -9.763 1.736 1.00 0.00 C ATOM 649 CG ASP A 44 3.484 -9.785 0.220 1.00 0.00 C ATOM 650 OD1 ASP A 44 3.885 -10.806 -0.356 1.00 0.00 O ATOM 651 OD2 ASP A 44 3.208 -8.678 -0.383 1.00 0.00 O ATOM 0 H ASP A 44 3.164 -10.301 4.214 1.00 0.00 H new ATOM 0 HA ASP A 44 4.590 -11.383 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.375 -10.322 1.974 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.110 -8.733 2.050 1.00 0.00 H new ATOM 657 N LEU A 45 5.780 -8.369 2.926 1.00 0.00 N ATOM 658 CA LEU A 45 6.913 -7.479 2.740 1.00 0.00 C ATOM 659 C LEU A 45 8.212 -8.280 2.866 1.00 0.00 C ATOM 660 O LEU A 45 9.205 -7.965 2.211 1.00 0.00 O ATOM 661 CB LEU A 45 6.826 -6.293 3.703 1.00 0.00 C ATOM 662 CG LEU A 45 8.160 -5.747 4.218 1.00 0.00 C ATOM 663 CD1 LEU A 45 7.966 -4.403 4.922 1.00 0.00 C ATOM 664 CD2 LEU A 45 8.860 -6.769 5.115 1.00 0.00 C ATOM 0 H LEU A 45 5.089 -8.044 3.602 1.00 0.00 H new ATOM 0 HA LEU A 45 6.899 -7.049 1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 45 6.293 -5.484 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 45 6.223 -6.590 4.561 1.00 0.00 H new ATOM 0 HG LEU A 45 8.811 -5.571 3.362 1.00 0.00 H new ATOM 0 HD11 LEU A 45 8.929 -4.037 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 45 7.541 -3.684 4.222 1.00 0.00 H new ATOM 0 HD13 LEU A 45 7.290 -4.529 5.768 1.00 0.00 H new ATOM 0 HD21 LEU A 45 9.805 -6.357 5.468 1.00 0.00 H new ATOM 0 HD22 LEU A 45 8.224 -7.000 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 45 9.051 -7.680 4.548 1.00 0.00 H new ATOM 676 N TYR A 46 8.162 -9.296 3.714 1.00 0.00 N ATOM 677 CA TYR A 46 9.322 -10.144 3.935 1.00 0.00 C ATOM 678 C TYR A 46 9.826 -10.736 2.617 1.00 0.00 C ATOM 679 O TYR A 46 10.849 -11.420 2.592 1.00 0.00 O ATOM 680 CB TYR A 46 8.846 -11.281 4.842 1.00 0.00 C ATOM 681 CG TYR A 46 8.851 -10.931 6.332 1.00 0.00 C ATOM 682 CD1 TYR A 46 9.600 -9.865 6.788 1.00 0.00 C ATOM 683 CD2 TYR A 46 8.105 -11.681 7.219 1.00 0.00 C ATOM 684 CE1 TYR A 46 9.603 -9.536 8.190 1.00 0.00 C ATOM 685 CE2 TYR A 46 8.110 -11.352 8.621 1.00 0.00 C ATOM 686 CZ TYR A 46 8.860 -10.294 9.037 1.00 0.00 C ATOM 687 OH TYR A 46 8.863 -9.984 10.362 1.00 0.00 O ATOM 0 H TYR A 46 7.337 -9.552 4.257 1.00 0.00 H new ATOM 0 HA TYR A 46 10.138 -9.572 4.376 1.00 0.00 H new ATOM 0 HB2 TYR A 46 7.836 -11.567 4.550 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.482 -12.151 4.681 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.183 -9.278 6.094 1.00 0.00 H new ATOM 0 HD2 TYR A 46 7.518 -12.514 6.862 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.184 -8.704 8.560 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.532 -11.931 9.326 1.00 0.00 H new ATOM 0 HH TYR A 46 8.286 -10.611 10.846 1.00 0.00 H new ATOM 697 N SER A 47 9.085 -10.454 1.557 1.00 0.00 N ATOM 698 CA SER A 47 9.445 -10.951 0.239 1.00 0.00 C ATOM 699 C SER A 47 9.842 -9.786 -0.669 1.00 0.00 C ATOM 700 O SER A 47 9.336 -8.674 -0.516 1.00 0.00 O ATOM 701 CB SER A 47 8.293 -11.741 -0.385 1.00 0.00 C ATOM 702 OG SER A 47 8.558 -12.090 -1.741 1.00 0.00 O ATOM 0 H SER A 47 8.237 -9.888 1.583 1.00 0.00 H new ATOM 0 HA SER A 47 10.295 -11.625 0.348 1.00 0.00 H new ATOM 0 HB2 SER A 47 8.119 -12.647 0.195 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.379 -11.150 -0.335 1.00 0.00 H new ATOM 0 HG SER A 47 7.800 -12.595 -2.103 1.00 0.00 H new ATOM 708 N PRO A 48 10.766 -10.086 -1.619 1.00 0.00 N ATOM 709 CA PRO A 48 11.238 -9.076 -2.552 1.00 0.00 C ATOM 710 C PRO A 48 10.184 -8.784 -3.623 1.00 0.00 C ATOM 711 O PRO A 48 9.803 -9.673 -4.382 1.00 0.00 O ATOM 712 CB PRO A 48 12.526 -9.641 -3.126 1.00 0.00 C ATOM 713 CG PRO A 48 12.488 -11.135 -2.848 1.00 0.00 C ATOM 714 CD PRO A 48 11.388 -11.390 -1.829 1.00 0.00 C ATOM 0 HA PRO A 48 11.420 -8.114 -2.073 1.00 0.00 H new ATOM 0 HB2 PRO A 48 12.596 -9.445 -4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 48 13.397 -9.179 -2.660 1.00 0.00 H new ATOM 0 HG2 PRO A 48 12.294 -11.690 -3.766 1.00 0.00 H new ATOM 0 HG3 PRO A 48 13.450 -11.477 -2.466 1.00 0.00 H new ATOM 0 HD2 PRO A 48 10.666 -12.118 -2.200 1.00 0.00 H new ATOM 0 HD3 PRO A 48 11.794 -11.789 -0.900 1.00 0.00 H new ATOM 722 N GLY A 49 9.742 -7.535 -3.647 1.00 0.00 N ATOM 723 CA GLY A 49 8.740 -7.114 -4.610 1.00 0.00 C ATOM 724 C GLY A 49 7.342 -7.568 -4.181 1.00 0.00 C ATOM 725 O GLY A 49 6.601 -8.144 -4.977 1.00 0.00 O ATOM 0 H GLY A 49 10.060 -6.801 -3.014 1.00 0.00 H new ATOM 0 HA2 GLY A 49 8.759 -6.029 -4.709 1.00 0.00 H new ATOM 0 HA3 GLY A 49 8.976 -7.528 -5.590 1.00 0.00 H new ATOM 729 N SER A 50 7.026 -7.291 -2.926 1.00 0.00 N ATOM 730 CA SER A 50 5.730 -7.663 -2.382 1.00 0.00 C ATOM 731 C SER A 50 4.693 -6.590 -2.718 1.00 0.00 C ATOM 732 O SER A 50 3.524 -6.714 -2.354 1.00 0.00 O ATOM 733 CB SER A 50 5.807 -7.869 -0.867 1.00 0.00 C ATOM 734 OG SER A 50 5.803 -9.250 -0.516 1.00 0.00 O ATOM 0 H SER A 50 7.644 -6.814 -2.269 1.00 0.00 H new ATOM 0 HA SER A 50 5.428 -8.607 -2.836 1.00 0.00 H new ATOM 0 HB2 SER A 50 6.713 -7.400 -0.483 1.00 0.00 H new ATOM 0 HB3 SER A 50 4.963 -7.371 -0.390 1.00 0.00 H new ATOM 0 HG SER A 50 6.484 -9.416 0.169 1.00 0.00 H new ATOM 740 N TRP A 51 5.158 -5.560 -3.411 1.00 0.00 N ATOM 741 CA TRP A 51 4.285 -4.467 -3.802 1.00 0.00 C ATOM 742 C TRP A 51 3.832 -4.713 -5.243 1.00 0.00 C ATOM 743 O TRP A 51 2.971 -4.001 -5.757 1.00 0.00 O ATOM 744 CB TRP A 51 4.980 -3.117 -3.616 1.00 0.00 C ATOM 745 CG TRP A 51 5.074 -2.660 -2.159 1.00 0.00 C ATOM 746 CD1 TRP A 51 5.929 -3.076 -1.217 1.00 0.00 C ATOM 747 CD2 TRP A 51 4.241 -1.673 -1.513 1.00 0.00 C ATOM 748 NE1 TRP A 51 5.711 -2.433 -0.015 1.00 0.00 N ATOM 749 CE2 TRP A 51 4.651 -1.553 -0.201 1.00 0.00 C ATOM 750 CE3 TRP A 51 3.176 -0.908 -2.020 1.00 0.00 C ATOM 751 CZ2 TRP A 51 4.052 -0.678 0.712 1.00 0.00 C ATOM 752 CZ3 TRP A 51 2.588 -0.038 -1.095 1.00 0.00 C ATOM 753 CH2 TRP A 51 2.990 0.095 0.229 1.00 0.00 C ATOM 0 H TRP A 51 6.128 -5.460 -3.711 1.00 0.00 H new ATOM 0 HA TRP A 51 3.403 -4.431 -3.162 1.00 0.00 H new ATOM 0 HB2 TRP A 51 5.985 -3.177 -4.033 1.00 0.00 H new ATOM 0 HB3 TRP A 51 4.442 -2.361 -4.189 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.694 -3.822 -1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.232 -2.577 0.850 1.00 0.00 H new ATOM 0 HE3 TRP A 51 2.838 -0.986 -3.043 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.391 -0.603 1.735 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 1.764 0.573 -1.433 1.00 0.00 H new ATOM 0 HH2 TRP A 51 2.485 0.792 0.882 1.00 0.00 H new ATOM 764 N ASP A 52 4.433 -5.724 -5.852 1.00 0.00 N ATOM 765 CA ASP A 52 4.103 -6.073 -7.223 1.00 0.00 C ATOM 766 C ASP A 52 2.773 -6.831 -7.246 1.00 0.00 C ATOM 767 O ASP A 52 2.059 -6.809 -8.248 1.00 0.00 O ATOM 768 CB ASP A 52 5.174 -6.980 -7.834 1.00 0.00 C ATOM 769 CG ASP A 52 5.584 -6.623 -9.265 1.00 0.00 C ATOM 770 OD1 ASP A 52 5.804 -7.510 -10.104 1.00 0.00 O ATOM 771 OD2 ASP A 52 5.673 -5.360 -9.508 1.00 0.00 O ATOM 0 H ASP A 52 5.146 -6.312 -5.422 1.00 0.00 H new ATOM 0 HA ASP A 52 4.040 -5.150 -7.800 1.00 0.00 H new ATOM 0 HB2 ASP A 52 6.060 -6.949 -7.200 1.00 0.00 H new ATOM 0 HB3 ASP A 52 4.809 -8.007 -7.822 1.00 0.00 H new ATOM 777 N PRO A 53 2.474 -7.500 -6.101 1.00 0.00 N ATOM 778 CA PRO A 53 1.243 -8.263 -5.980 1.00 0.00 C ATOM 779 C PRO A 53 0.040 -7.336 -5.795 1.00 0.00 C ATOM 780 O PRO A 53 -1.053 -7.627 -6.279 1.00 0.00 O ATOM 781 CB PRO A 53 1.468 -9.187 -4.795 1.00 0.00 C ATOM 782 CG PRO A 53 2.625 -8.589 -4.013 1.00 0.00 C ATOM 783 CD PRO A 53 3.295 -7.547 -4.895 1.00 0.00 C ATOM 0 HA PRO A 53 1.014 -8.837 -6.878 1.00 0.00 H new ATOM 0 HB2 PRO A 53 0.573 -9.254 -4.177 1.00 0.00 H new ATOM 0 HB3 PRO A 53 1.703 -10.198 -5.127 1.00 0.00 H new ATOM 0 HG2 PRO A 53 2.267 -8.134 -3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 53 3.337 -9.365 -3.731 1.00 0.00 H new ATOM 0 HD2 PRO A 53 3.331 -6.575 -4.402 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.323 -7.826 -5.126 1.00 0.00 H new ATOM 791 N ILE A 54 0.282 -6.238 -5.093 1.00 0.00 N ATOM 792 CA ILE A 54 -0.769 -5.266 -4.838 1.00 0.00 C ATOM 793 C ILE A 54 -0.962 -4.393 -6.078 1.00 0.00 C ATOM 794 O ILE A 54 -2.037 -3.833 -6.288 1.00 0.00 O ATOM 795 CB ILE A 54 -0.467 -4.471 -3.566 1.00 0.00 C ATOM 796 CG1 ILE A 54 -1.722 -4.312 -2.707 1.00 0.00 C ATOM 797 CG2 ILE A 54 0.173 -3.122 -3.903 1.00 0.00 C ATOM 798 CD1 ILE A 54 -1.985 -2.840 -2.389 1.00 0.00 C ATOM 0 H ILE A 54 1.190 -6.000 -4.693 1.00 0.00 H new ATOM 0 HA ILE A 54 -1.717 -5.770 -4.653 1.00 0.00 H new ATOM 0 HB ILE A 54 0.257 -5.033 -2.975 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -2.581 -4.734 -3.229 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.606 -4.873 -1.780 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.378 -2.576 -2.982 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.106 -3.286 -4.442 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.508 -2.541 -4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.883 -2.755 -1.777 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.135 -2.428 -1.845 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -2.125 -2.287 -3.318 1.00 0.00 H new ATOM 810 N THR A 55 0.096 -4.303 -6.871 1.00 0.00 N ATOM 811 CA THR A 55 0.057 -3.507 -8.085 1.00 0.00 C ATOM 812 C THR A 55 -0.932 -4.108 -9.086 1.00 0.00 C ATOM 813 O THR A 55 -1.858 -3.433 -9.530 1.00 0.00 O ATOM 814 CB THR A 55 1.483 -3.404 -8.630 1.00 0.00 C ATOM 815 OG1 THR A 55 2.052 -2.315 -7.908 1.00 0.00 O ATOM 816 CG2 THR A 55 1.522 -2.945 -10.088 1.00 0.00 C ATOM 0 H THR A 55 0.986 -4.769 -6.696 1.00 0.00 H new ATOM 0 HA THR A 55 -0.304 -2.498 -7.884 1.00 0.00 H new ATOM 0 HB THR A 55 1.976 -4.372 -8.542 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.924 -2.581 -7.548 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.557 -2.889 -10.424 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.977 -3.657 -10.708 1.00 0.00 H new ATOM 0 HG23 THR A 55 1.059 -1.962 -10.172 1.00 0.00 H new ATOM 824 N ALA A 56 -0.702 -5.371 -9.410 1.00 0.00 N ATOM 825 CA ALA A 56 -1.561 -6.072 -10.350 1.00 0.00 C ATOM 826 C ALA A 56 -2.881 -6.424 -9.661 1.00 0.00 C ATOM 827 O ALA A 56 -3.846 -6.811 -10.320 1.00 0.00 O ATOM 828 CB ALA A 56 -0.834 -7.307 -10.886 1.00 0.00 C ATOM 0 H ALA A 56 0.067 -5.928 -9.038 1.00 0.00 H new ATOM 0 HA ALA A 56 -1.794 -5.437 -11.205 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -1.479 -7.832 -11.591 1.00 0.00 H new ATOM 0 HB2 ALA A 56 0.081 -6.999 -11.392 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -0.586 -7.971 -10.058 1.00 0.00 H new ATOM 834 N ALA A 57 -2.882 -6.279 -8.344 1.00 0.00 N ATOM 835 CA ALA A 57 -4.068 -6.578 -7.560 1.00 0.00 C ATOM 836 C ALA A 57 -5.212 -5.665 -8.004 1.00 0.00 C ATOM 837 O ALA A 57 -6.117 -6.100 -8.714 1.00 0.00 O ATOM 838 CB ALA A 57 -3.746 -6.426 -6.071 1.00 0.00 C ATOM 0 H ALA A 57 -2.081 -5.959 -7.800 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.386 -7.608 -7.723 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -4.635 -6.650 -5.482 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -2.947 -7.116 -5.799 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -3.426 -5.403 -5.870 1.00 0.00 H new ATOM 844 N LEU A 58 -5.135 -4.416 -7.569 1.00 0.00 N ATOM 845 CA LEU A 58 -6.153 -3.438 -7.914 1.00 0.00 C ATOM 846 C LEU A 58 -6.315 -3.392 -9.435 1.00 0.00 C ATOM 847 O LEU A 58 -7.428 -3.248 -9.939 1.00 0.00 O ATOM 848 CB LEU A 58 -5.826 -2.081 -7.289 1.00 0.00 C ATOM 849 CG LEU A 58 -4.650 -1.322 -7.911 1.00 0.00 C ATOM 850 CD1 LEU A 58 -3.363 -2.144 -7.832 1.00 0.00 C ATOM 851 CD2 LEU A 58 -4.971 -0.896 -9.346 1.00 0.00 C ATOM 0 H LEU A 58 -4.383 -4.058 -6.980 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.118 -3.730 -7.499 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.713 -1.451 -7.352 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.616 -2.232 -6.230 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.486 -0.412 -7.333 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.544 -1.582 -8.281 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.129 -2.355 -6.788 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.497 -3.082 -8.371 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -4.120 -0.359 -9.765 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.176 -1.779 -9.951 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.846 -0.246 -9.345 1.00 0.00 H new ATOM 863 N SER A 59 -5.190 -3.518 -10.122 1.00 0.00 N ATOM 864 CA SER A 59 -5.192 -3.493 -11.575 1.00 0.00 C ATOM 865 C SER A 59 -6.011 -4.666 -12.118 1.00 0.00 C ATOM 866 O SER A 59 -6.812 -4.497 -13.036 1.00 0.00 O ATOM 867 CB SER A 59 -3.768 -3.538 -12.130 1.00 0.00 C ATOM 868 OG SER A 59 -3.654 -2.836 -13.365 1.00 0.00 O ATOM 0 H SER A 59 -4.270 -3.638 -9.699 1.00 0.00 H new ATOM 0 HA SER A 59 -5.649 -2.558 -11.899 1.00 0.00 H new ATOM 0 HB2 SER A 59 -3.081 -3.105 -11.402 1.00 0.00 H new ATOM 0 HB3 SER A 59 -3.468 -4.576 -12.274 1.00 0.00 H new ATOM 0 HG SER A 59 -2.729 -2.887 -13.686 1.00 0.00 H new ATOM 874 N GLN A 60 -5.783 -5.829 -11.525 1.00 0.00 N ATOM 875 CA GLN A 60 -6.489 -7.030 -11.935 1.00 0.00 C ATOM 876 C GLN A 60 -7.954 -6.961 -11.500 1.00 0.00 C ATOM 877 O GLN A 60 -8.795 -7.692 -12.019 1.00 0.00 O ATOM 878 CB GLN A 60 -5.812 -8.284 -11.380 1.00 0.00 C ATOM 879 CG GLN A 60 -4.657 -8.728 -12.281 1.00 0.00 C ATOM 880 CD GLN A 60 -5.180 -9.318 -13.592 1.00 0.00 C ATOM 881 OE1 GLN A 60 -6.142 -10.069 -13.624 1.00 0.00 O ATOM 882 NE2 GLN A 60 -4.497 -8.937 -14.667 1.00 0.00 N ATOM 0 H GLN A 60 -5.118 -5.964 -10.763 1.00 0.00 H new ATOM 0 HA GLN A 60 -6.455 -7.091 -13.023 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.439 -8.086 -10.375 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -6.542 -9.089 -11.296 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.009 -7.877 -12.494 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.050 -9.469 -11.761 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -3.702 -8.306 -14.569 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -4.768 -9.276 -15.590 1.00 0.00 H new ATOM 891 N ARG A 61 -8.215 -6.072 -10.552 1.00 0.00 N ATOM 892 CA ARG A 61 -9.564 -5.897 -10.041 1.00 0.00 C ATOM 893 C ARG A 61 -9.734 -4.489 -9.464 1.00 0.00 C ATOM 894 O ARG A 61 -10.003 -4.331 -8.274 1.00 0.00 O ATOM 895 CB ARG A 61 -9.878 -6.927 -8.953 1.00 0.00 C ATOM 896 CG ARG A 61 -10.672 -8.103 -9.525 1.00 0.00 C ATOM 897 CD ARG A 61 -12.174 -7.819 -9.493 1.00 0.00 C ATOM 898 NE ARG A 61 -12.795 -8.511 -8.342 1.00 0.00 N ATOM 899 CZ ARG A 61 -13.087 -9.829 -8.318 1.00 0.00 C ATOM 900 NH1 ARG A 61 -12.815 -10.610 -9.385 1.00 0.00 N ATOM 901 NH2 ARG A 61 -13.642 -10.343 -7.235 1.00 0.00 N ATOM 0 H ARG A 61 -7.515 -5.465 -10.125 1.00 0.00 H new ATOM 0 HA ARG A 61 -10.255 -6.040 -10.872 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -8.950 -7.290 -8.512 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -10.447 -6.454 -8.153 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -10.357 -8.295 -10.551 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -10.457 -9.005 -8.952 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -12.348 -6.745 -9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -12.636 -8.154 -10.422 1.00 0.00 H new ATOM 0 HE ARG A 61 -13.016 -7.957 -7.514 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -12.386 -10.205 -10.217 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -13.039 -11.605 -9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -13.844 -9.746 -6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -13.869 -11.337 -7.201 1.00 0.00 H new ATOM 913 N ALA A 62 -9.572 -3.505 -10.336 1.00 0.00 N ATOM 914 CA ALA A 62 -9.705 -2.116 -9.929 1.00 0.00 C ATOM 915 C ALA A 62 -11.186 -1.738 -9.898 1.00 0.00 C ATOM 916 O ALA A 62 -11.534 -0.601 -9.581 1.00 0.00 O ATOM 917 CB ALA A 62 -8.895 -1.228 -10.876 1.00 0.00 C ATOM 0 H ALA A 62 -9.350 -3.641 -11.322 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.307 -1.970 -8.925 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -8.994 -0.186 -10.572 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -7.845 -1.519 -10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.268 -1.346 -11.893 1.00 0.00 H new ATOM 923 N MET A 63 -12.020 -2.713 -10.231 1.00 0.00 N ATOM 924 CA MET A 63 -13.457 -2.495 -10.247 1.00 0.00 C ATOM 925 C MET A 63 -14.031 -2.533 -8.828 1.00 0.00 C ATOM 926 O MET A 63 -15.211 -2.250 -8.624 1.00 0.00 O ATOM 927 CB MET A 63 -14.128 -3.575 -11.097 1.00 0.00 C ATOM 928 CG MET A 63 -14.374 -3.076 -12.521 1.00 0.00 C ATOM 929 SD MET A 63 -14.485 -4.461 -13.643 1.00 0.00 S ATOM 930 CE MET A 63 -13.106 -4.103 -14.716 1.00 0.00 C ATOM 0 H MET A 63 -11.728 -3.655 -10.492 1.00 0.00 H new ATOM 0 HA MET A 63 -13.652 -1.511 -10.674 1.00 0.00 H new ATOM 0 HB2 MET A 63 -13.500 -4.465 -11.123 1.00 0.00 H new ATOM 0 HB3 MET A 63 -15.074 -3.866 -10.641 1.00 0.00 H new ATOM 0 HG2 MET A 63 -15.295 -2.494 -12.557 1.00 0.00 H new ATOM 0 HG3 MET A 63 -13.565 -2.413 -12.828 1.00 0.00 H new ATOM 0 HE1 MET A 63 -13.030 -4.876 -15.481 1.00 0.00 H new ATOM 0 HE2 MET A 63 -13.257 -3.134 -15.192 1.00 0.00 H new ATOM 0 HE3 MET A 63 -12.186 -4.080 -14.131 1.00 0.00 H new ATOM 940 N ILE A 64 -13.169 -2.882 -7.884 1.00 0.00 N ATOM 941 CA ILE A 64 -13.576 -2.959 -6.491 1.00 0.00 C ATOM 942 C ILE A 64 -13.104 -1.703 -5.757 1.00 0.00 C ATOM 943 O ILE A 64 -13.555 -1.423 -4.648 1.00 0.00 O ATOM 944 CB ILE A 64 -13.083 -4.263 -5.860 1.00 0.00 C ATOM 945 CG1 ILE A 64 -11.775 -4.725 -6.506 1.00 0.00 C ATOM 946 CG2 ILE A 64 -14.164 -5.344 -5.920 1.00 0.00 C ATOM 947 CD1 ILE A 64 -11.262 -6.007 -5.849 1.00 0.00 C ATOM 0 H ILE A 64 -12.191 -3.114 -8.056 1.00 0.00 H new ATOM 0 HA ILE A 64 -14.663 -2.985 -6.412 1.00 0.00 H new ATOM 0 HB ILE A 64 -12.873 -4.075 -4.807 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -11.932 -4.896 -7.571 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -11.024 -3.940 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -13.788 -6.260 -5.465 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -15.047 -5.006 -5.378 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -14.428 -5.537 -6.960 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -10.332 -6.314 -6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -11.083 -5.826 -4.789 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -12.005 -6.796 -5.962 1.00 0.00 H new ATOM 959 N LEU A 65 -12.202 -0.981 -6.405 1.00 0.00 N ATOM 960 CA LEU A 65 -11.663 0.239 -5.826 1.00 0.00 C ATOM 961 C LEU A 65 -11.732 1.362 -6.862 1.00 0.00 C ATOM 962 O LEU A 65 -11.538 1.125 -8.055 1.00 0.00 O ATOM 963 CB LEU A 65 -10.257 -0.006 -5.275 1.00 0.00 C ATOM 964 CG LEU A 65 -9.814 -1.467 -5.192 1.00 0.00 C ATOM 965 CD1 LEU A 65 -8.335 -1.572 -4.814 1.00 0.00 C ATOM 966 CD2 LEU A 65 -10.708 -2.259 -4.236 1.00 0.00 C ATOM 0 H LEU A 65 -11.830 -1.217 -7.325 1.00 0.00 H new ATOM 0 HA LEU A 65 -12.263 0.555 -4.973 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.545 0.534 -5.899 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.199 0.428 -4.277 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.926 -1.913 -6.180 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.046 -2.622 -4.762 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.730 -1.066 -5.567 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.173 -1.103 -3.844 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.370 -3.295 -4.196 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.653 -1.821 -3.239 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.738 -2.227 -4.590 1.00 0.00 H new ATOM 978 N GLY A 66 -12.006 2.561 -6.371 1.00 0.00 N ATOM 979 CA GLY A 66 -12.103 3.723 -7.239 1.00 0.00 C ATOM 980 C GLY A 66 -13.536 3.920 -7.734 1.00 0.00 C ATOM 981 O GLY A 66 -13.943 5.040 -8.037 1.00 0.00 O ATOM 0 H GLY A 66 -12.164 2.754 -5.382 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -11.775 4.612 -6.700 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -11.434 3.602 -8.091 1.00 0.00 H new ATOM 985 N LYS A 67 -14.263 2.813 -7.802 1.00 0.00 N ATOM 986 CA LYS A 67 -15.641 2.850 -8.256 1.00 0.00 C ATOM 987 C LYS A 67 -16.551 2.297 -7.157 1.00 0.00 C ATOM 988 O LYS A 67 -17.582 2.892 -6.841 1.00 0.00 O ATOM 989 CB LYS A 67 -15.785 2.124 -9.596 1.00 0.00 C ATOM 990 CG LYS A 67 -17.194 2.298 -10.166 1.00 0.00 C ATOM 991 CD LYS A 67 -17.144 2.856 -11.590 1.00 0.00 C ATOM 992 CE LYS A 67 -18.264 3.871 -11.820 1.00 0.00 C ATOM 993 NZ LYS A 67 -17.713 5.148 -12.328 1.00 0.00 N ATOM 0 H LYS A 67 -13.922 1.885 -7.550 1.00 0.00 H new ATOM 0 HA LYS A 67 -15.952 3.878 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -15.052 2.511 -10.304 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -15.571 1.063 -9.464 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -17.711 1.339 -10.165 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -17.768 2.970 -9.528 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -16.178 3.329 -11.765 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -17.234 2.040 -12.307 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -18.985 3.470 -12.533 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -18.801 4.046 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -18.488 5.825 -12.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -17.043 5.537 -11.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -17.221 4.980 -13.229 1.00 0.00 H new ATOM 1006 N SER A 68 -16.138 1.167 -6.605 1.00 0.00 N ATOM 1007 CA SER A 68 -16.901 0.528 -5.547 1.00 0.00 C ATOM 1008 C SER A 68 -16.170 0.672 -4.211 1.00 0.00 C ATOM 1009 O SER A 68 -16.761 0.473 -3.151 1.00 0.00 O ATOM 1010 CB SER A 68 -17.147 -0.950 -5.861 1.00 0.00 C ATOM 1011 OG SER A 68 -18.248 -1.131 -6.748 1.00 0.00 O ATOM 0 H SER A 68 -15.284 0.677 -6.871 1.00 0.00 H new ATOM 0 HA SER A 68 -17.869 1.024 -5.478 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.249 -1.381 -6.305 1.00 0.00 H new ATOM 0 HB3 SER A 68 -17.336 -1.491 -4.934 1.00 0.00 H new ATOM 0 HG SER A 68 -18.372 -2.087 -6.925 1.00 0.00 H new ATOM 1017 N GLY A 69 -14.893 1.015 -4.306 1.00 0.00 N ATOM 1018 CA GLY A 69 -14.074 1.189 -3.119 1.00 0.00 C ATOM 1019 C GLY A 69 -13.359 2.541 -3.138 1.00 0.00 C ATOM 1020 O GLY A 69 -13.964 3.572 -2.846 1.00 0.00 O ATOM 0 H GLY A 69 -14.406 1.177 -5.187 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -14.698 1.117 -2.229 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -13.339 0.386 -3.059 1.00 0.00 H new ATOM 1024 N GLU A 70 -12.081 2.494 -3.485 1.00 0.00 N ATOM 1025 CA GLU A 70 -11.276 3.702 -3.548 1.00 0.00 C ATOM 1026 C GLU A 70 -9.833 3.360 -3.926 1.00 0.00 C ATOM 1027 O GLU A 70 -8.940 3.407 -3.082 1.00 0.00 O ATOM 1028 CB GLU A 70 -11.331 4.465 -2.223 1.00 0.00 C ATOM 1029 CG GLU A 70 -11.134 5.966 -2.446 1.00 0.00 C ATOM 1030 CD GLU A 70 -12.478 6.675 -2.616 1.00 0.00 C ATOM 1031 OE1 GLU A 70 -13.481 6.030 -2.957 1.00 0.00 O ATOM 1032 OE2 GLU A 70 -12.459 7.943 -2.379 1.00 0.00 O ATOM 0 H GLU A 70 -11.583 1.637 -3.726 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.688 4.351 -4.321 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -12.291 4.289 -1.737 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.560 4.089 -1.551 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.596 6.396 -1.601 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -10.519 6.128 -3.331 1.00 0.00 H new ATOM 1040 N LEU A 71 -9.651 3.023 -5.193 1.00 0.00 N ATOM 1041 CA LEU A 71 -8.333 2.673 -5.694 1.00 0.00 C ATOM 1042 C LEU A 71 -7.377 3.845 -5.460 1.00 0.00 C ATOM 1043 O LEU A 71 -6.160 3.665 -5.441 1.00 0.00 O ATOM 1044 CB LEU A 71 -8.414 2.226 -7.154 1.00 0.00 C ATOM 1045 CG LEU A 71 -7.627 0.965 -7.514 1.00 0.00 C ATOM 1046 CD1 LEU A 71 -8.517 -0.049 -8.238 1.00 0.00 C ATOM 1047 CD2 LEU A 71 -6.377 1.311 -8.327 1.00 0.00 C ATOM 0 H LEU A 71 -10.395 2.985 -5.889 1.00 0.00 H new ATOM 0 HA LEU A 71 -7.932 1.819 -5.148 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.462 2.060 -7.405 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.061 3.043 -7.783 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.291 0.497 -6.589 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.933 -0.936 -8.483 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -9.349 -0.329 -7.592 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.903 0.395 -9.155 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.836 0.396 -8.570 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.670 1.814 -9.248 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -5.734 1.969 -7.743 1.00 0.00 H new ATOM 1059 N LYS A 72 -7.964 5.022 -5.292 1.00 0.00 N ATOM 1060 CA LYS A 72 -7.180 6.223 -5.060 1.00 0.00 C ATOM 1061 C LYS A 72 -6.161 5.958 -3.950 1.00 0.00 C ATOM 1062 O LYS A 72 -4.993 6.320 -4.075 1.00 0.00 O ATOM 1063 CB LYS A 72 -8.096 7.415 -4.782 1.00 0.00 C ATOM 1064 CG LYS A 72 -7.282 8.662 -4.430 1.00 0.00 C ATOM 1065 CD LYS A 72 -8.196 9.867 -4.199 1.00 0.00 C ATOM 1066 CE LYS A 72 -7.381 11.123 -3.887 1.00 0.00 C ATOM 1067 NZ LYS A 72 -6.906 11.096 -2.485 1.00 0.00 N ATOM 0 H LYS A 72 -8.973 5.169 -5.312 1.00 0.00 H new ATOM 0 HA LYS A 72 -6.615 6.486 -5.954 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.714 7.615 -5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -8.773 7.175 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -6.690 8.473 -3.534 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.581 8.882 -5.235 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -8.809 10.038 -5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -8.878 9.658 -3.375 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -6.530 11.189 -4.565 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.991 12.011 -4.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -6.354 11.955 -2.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -7.723 11.055 -1.842 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -6.307 10.259 -2.338 1.00 0.00 H new ATOM 1080 N THR A 73 -6.642 5.327 -2.889 1.00 0.00 N ATOM 1081 CA THR A 73 -5.788 5.008 -1.757 1.00 0.00 C ATOM 1082 C THR A 73 -4.587 4.179 -2.213 1.00 0.00 C ATOM 1083 O THR A 73 -3.462 4.411 -1.771 1.00 0.00 O ATOM 1084 CB THR A 73 -6.645 4.308 -0.701 1.00 0.00 C ATOM 1085 OG1 THR A 73 -7.955 4.826 -0.916 1.00 0.00 O ATOM 1086 CG2 THR A 73 -6.298 4.751 0.722 1.00 0.00 C ATOM 0 H THR A 73 -7.612 5.028 -2.789 1.00 0.00 H new ATOM 0 HA THR A 73 -5.369 5.910 -1.310 1.00 0.00 H new ATOM 0 HB THR A 73 -6.517 3.229 -0.787 1.00 0.00 H new ATOM 0 HG1 THR A 73 -8.576 4.423 -0.274 1.00 0.00 H new ATOM 0 HG21 THR A 73 -6.935 4.224 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 73 -5.253 4.520 0.930 1.00 0.00 H new ATOM 0 HG23 THR A 73 -6.458 5.825 0.818 1.00 0.00 H new ATOM 1094 N TRP A 74 -4.864 3.226 -3.092 1.00 0.00 N ATOM 1095 CA TRP A 74 -3.821 2.359 -3.611 1.00 0.00 C ATOM 1096 C TRP A 74 -2.750 3.244 -4.256 1.00 0.00 C ATOM 1097 O TRP A 74 -1.561 3.078 -3.990 1.00 0.00 O ATOM 1098 CB TRP A 74 -4.398 1.323 -4.576 1.00 0.00 C ATOM 1099 CG TRP A 74 -3.376 0.747 -5.558 1.00 0.00 C ATOM 1100 CD1 TRP A 74 -2.667 -0.384 -5.442 1.00 0.00 C ATOM 1101 CD2 TRP A 74 -2.974 1.325 -6.819 1.00 0.00 C ATOM 1102 NE1 TRP A 74 -1.840 -0.577 -6.530 1.00 0.00 N ATOM 1103 CE2 TRP A 74 -2.033 0.496 -7.394 1.00 0.00 C ATOM 1104 CE3 TRP A 74 -3.393 2.508 -7.451 1.00 0.00 C ATOM 1105 CZ2 TRP A 74 -1.433 0.761 -8.631 1.00 0.00 C ATOM 1106 CZ3 TRP A 74 -2.783 2.759 -8.686 1.00 0.00 C ATOM 1107 CH2 TRP A 74 -1.835 1.935 -9.279 1.00 0.00 C ATOM 0 H TRP A 74 -5.797 3.036 -3.458 1.00 0.00 H new ATOM 0 HA TRP A 74 -3.362 1.784 -2.807 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -4.832 0.506 -3.999 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -5.210 1.781 -5.140 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -2.734 -1.060 -4.602 1.00 0.00 H new ATOM 0 HE1 TRP A 74 -1.204 -1.362 -6.674 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -4.127 3.171 -7.018 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 -0.700 0.096 -9.062 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 -3.070 3.656 -9.215 1.00 0.00 H new ATOM 0 HH2 TRP A 74 -1.410 2.199 -10.236 1.00 0.00 H new ATOM 1118 N GLY A 75 -3.211 4.163 -5.091 1.00 0.00 N ATOM 1119 CA GLY A 75 -2.309 5.073 -5.775 1.00 0.00 C ATOM 1120 C GLY A 75 -1.169 5.511 -4.854 1.00 0.00 C ATOM 1121 O GLY A 75 0.002 5.416 -5.220 1.00 0.00 O ATOM 0 H GLY A 75 -4.198 4.297 -5.309 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -1.899 4.587 -6.661 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.861 5.948 -6.118 1.00 0.00 H new ATOM 1125 N LEU A 76 -1.551 5.980 -3.676 1.00 0.00 N ATOM 1126 CA LEU A 76 -0.575 6.432 -2.699 1.00 0.00 C ATOM 1127 C LEU A 76 0.256 5.238 -2.223 1.00 0.00 C ATOM 1128 O LEU A 76 1.460 5.363 -2.002 1.00 0.00 O ATOM 1129 CB LEU A 76 -1.265 7.190 -1.564 1.00 0.00 C ATOM 1130 CG LEU A 76 -2.278 8.257 -1.988 1.00 0.00 C ATOM 1131 CD1 LEU A 76 -3.567 8.141 -1.173 1.00 0.00 C ATOM 1132 CD2 LEU A 76 -1.668 9.657 -1.902 1.00 0.00 C ATOM 0 H LEU A 76 -2.523 6.057 -3.376 1.00 0.00 H new ATOM 0 HA LEU A 76 0.116 7.142 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -1.774 6.466 -0.927 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.498 7.667 -0.954 1.00 0.00 H new ATOM 0 HG LEU A 76 -2.540 8.085 -3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.270 8.910 -1.493 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.009 7.157 -1.329 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.342 8.273 -0.115 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.408 10.396 -2.209 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.359 9.857 -0.876 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -0.801 9.717 -2.560 1.00 0.00 H new ATOM 1144 N VAL A 77 -0.419 4.107 -2.080 1.00 0.00 N ATOM 1145 CA VAL A 77 0.241 2.892 -1.635 1.00 0.00 C ATOM 1146 C VAL A 77 1.160 2.379 -2.746 1.00 0.00 C ATOM 1147 O VAL A 77 2.359 2.209 -2.537 1.00 0.00 O ATOM 1148 CB VAL A 77 -0.800 1.861 -1.196 1.00 0.00 C ATOM 1149 CG1 VAL A 77 -1.143 0.906 -2.342 1.00 0.00 C ATOM 1150 CG2 VAL A 77 -0.324 1.089 0.036 1.00 0.00 C ATOM 0 H VAL A 77 -1.417 4.007 -2.265 1.00 0.00 H new ATOM 0 HA VAL A 77 0.865 3.094 -0.765 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.708 2.399 -0.923 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.885 0.183 -2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.546 1.474 -3.181 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.243 0.380 -2.659 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -1.083 0.363 0.326 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.605 0.569 -0.197 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.154 1.784 0.858 1.00 0.00 H new ATOM 1160 N LEU A 78 0.559 2.148 -3.905 1.00 0.00 N ATOM 1161 CA LEU A 78 1.308 1.658 -5.050 1.00 0.00 C ATOM 1162 C LEU A 78 2.162 2.792 -5.619 1.00 0.00 C ATOM 1163 O LEU A 78 3.384 2.682 -5.684 1.00 0.00 O ATOM 1164 CB LEU A 78 0.365 1.024 -6.076 1.00 0.00 C ATOM 1165 CG LEU A 78 0.898 -0.211 -6.803 1.00 0.00 C ATOM 1166 CD1 LEU A 78 2.180 0.114 -7.571 1.00 0.00 C ATOM 1167 CD2 LEU A 78 1.093 -1.378 -5.830 1.00 0.00 C ATOM 0 H LEU A 78 -0.436 2.291 -4.075 1.00 0.00 H new ATOM 0 HA LEU A 78 1.992 0.865 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.561 0.751 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.111 1.778 -6.821 1.00 0.00 H new ATOM 0 HG LEU A 78 0.154 -0.522 -7.536 1.00 0.00 H new ATOM 0 HD11 LEU A 78 2.537 -0.782 -8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 78 1.976 0.891 -8.307 1.00 0.00 H new ATOM 0 HD13 LEU A 78 2.942 0.465 -6.875 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.473 -2.244 -6.372 1.00 0.00 H new ATOM 0 HD22 LEU A 78 1.807 -1.092 -5.057 1.00 0.00 H new ATOM 0 HD23 LEU A 78 0.139 -1.629 -5.367 1.00 0.00 H new ATOM 1179 N GLY A 79 1.484 3.860 -6.016 1.00 0.00 N ATOM 1180 CA GLY A 79 2.165 5.013 -6.577 1.00 0.00 C ATOM 1181 C GLY A 79 3.507 5.250 -5.880 1.00 0.00 C ATOM 1182 O GLY A 79 4.462 5.712 -6.506 1.00 0.00 O ATOM 0 H GLY A 79 0.470 3.950 -5.960 1.00 0.00 H new ATOM 0 HA2 GLY A 79 2.327 4.860 -7.644 1.00 0.00 H new ATOM 0 HA3 GLY A 79 1.536 5.897 -6.473 1.00 0.00 H new ATOM 1186 N ALA A 80 3.537 4.923 -4.597 1.00 0.00 N ATOM 1187 CA ALA A 80 4.747 5.095 -3.810 1.00 0.00 C ATOM 1188 C ALA A 80 5.806 4.099 -4.288 1.00 0.00 C ATOM 1189 O ALA A 80 6.944 4.480 -4.556 1.00 0.00 O ATOM 1190 CB ALA A 80 4.416 4.928 -2.325 1.00 0.00 C ATOM 0 H ALA A 80 2.744 4.540 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 80 5.154 6.097 -3.943 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.322 5.057 -1.733 1.00 0.00 H new ATOM 0 HB2 ALA A 80 3.681 5.676 -2.030 1.00 0.00 H new ATOM 0 HB3 ALA A 80 4.009 3.932 -2.153 1.00 0.00 H new ATOM 1196 N LEU A 81 5.393 2.843 -4.377 1.00 0.00 N ATOM 1197 CA LEU A 81 6.293 1.789 -4.817 1.00 0.00 C ATOM 1198 C LEU A 81 6.946 2.202 -6.138 1.00 0.00 C ATOM 1199 O LEU A 81 8.150 2.030 -6.320 1.00 0.00 O ATOM 1200 CB LEU A 81 5.557 0.450 -4.886 1.00 0.00 C ATOM 1201 CG LEU A 81 6.438 -0.794 -5.021 1.00 0.00 C ATOM 1202 CD1 LEU A 81 7.430 -0.641 -6.177 1.00 0.00 C ATOM 1203 CD2 LEU A 81 7.142 -1.112 -3.700 1.00 0.00 C ATOM 0 H LEU A 81 4.448 2.531 -4.152 1.00 0.00 H new ATOM 0 HA LEU A 81 7.096 1.647 -4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 81 4.950 0.345 -3.987 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.871 0.478 -5.732 1.00 0.00 H new ATOM 0 HG LEU A 81 5.797 -1.643 -5.258 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.044 -1.539 -6.251 1.00 0.00 H new ATOM 0 HD12 LEU A 81 6.883 -0.497 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 81 8.070 0.222 -5.995 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.762 -2.000 -3.823 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.769 -0.269 -3.410 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.397 -1.293 -2.925 1.00 0.00 H new ATOM 1215 N LYS A 82 6.123 2.738 -7.026 1.00 0.00 N ATOM 1216 CA LYS A 82 6.604 3.176 -8.325 1.00 0.00 C ATOM 1217 C LYS A 82 7.469 4.427 -8.149 1.00 0.00 C ATOM 1218 O LYS A 82 8.308 4.730 -8.996 1.00 0.00 O ATOM 1219 CB LYS A 82 5.435 3.369 -9.294 1.00 0.00 C ATOM 1220 CG LYS A 82 4.994 2.033 -9.891 1.00 0.00 C ATOM 1221 CD LYS A 82 4.995 0.930 -8.831 1.00 0.00 C ATOM 1222 CE LYS A 82 4.359 -0.352 -9.372 1.00 0.00 C ATOM 1223 NZ LYS A 82 5.323 -1.090 -10.219 1.00 0.00 N ATOM 0 H LYS A 82 5.125 2.879 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 82 7.236 2.410 -8.774 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.598 3.833 -8.772 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.729 4.050 -10.093 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.995 2.133 -10.316 1.00 0.00 H new ATOM 0 HG3 LYS A 82 5.662 1.758 -10.708 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.018 0.727 -8.514 1.00 0.00 H new ATOM 0 HD3 LYS A 82 4.449 1.267 -7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 82 4.036 -0.983 -8.544 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.469 -0.107 -9.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.876 -1.958 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 5.611 -0.492 -11.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 6.160 -1.340 -9.655 1.00 0.00 H new ATOM 1236 N ALA A 83 7.235 5.118 -7.042 1.00 0.00 N ATOM 1237 CA ALA A 83 7.981 6.328 -6.744 1.00 0.00 C ATOM 1238 C ALA A 83 9.418 5.956 -6.371 1.00 0.00 C ATOM 1239 O ALA A 83 10.354 6.691 -6.684 1.00 0.00 O ATOM 1240 CB ALA A 83 7.273 7.104 -5.632 1.00 0.00 C ATOM 0 H ALA A 83 6.539 4.862 -6.341 1.00 0.00 H new ATOM 0 HA ALA A 83 8.024 6.978 -7.618 1.00 0.00 H new ATOM 0 HB1 ALA A 83 7.833 8.012 -5.409 1.00 0.00 H new ATOM 0 HB2 ALA A 83 6.267 7.369 -5.957 1.00 0.00 H new ATOM 0 HB3 ALA A 83 7.214 6.485 -4.737 1.00 0.00 H new ATOM 1246 N ALA A 84 9.548 4.816 -5.708 1.00 0.00 N ATOM 1247 CA ALA A 84 10.854 4.338 -5.290 1.00 0.00 C ATOM 1248 C ALA A 84 11.706 4.044 -6.528 1.00 0.00 C ATOM 1249 O ALA A 84 12.853 4.477 -6.613 1.00 0.00 O ATOM 1250 CB ALA A 84 10.686 3.110 -4.393 1.00 0.00 C ATOM 0 H ALA A 84 8.769 4.210 -5.450 1.00 0.00 H new ATOM 0 HA ALA A 84 11.372 5.099 -4.707 1.00 0.00 H new ATOM 0 HB1 ALA A 84 11.666 2.752 -4.080 1.00 0.00 H new ATOM 0 HB2 ALA A 84 10.100 3.379 -3.514 1.00 0.00 H new ATOM 0 HB3 ALA A 84 10.172 2.324 -4.945 1.00 0.00 H new ATOM 1256 N ARG A 85 11.110 3.309 -7.455 1.00 0.00 N ATOM 1257 CA ARG A 85 11.798 2.953 -8.683 1.00 0.00 C ATOM 1258 C ARG A 85 12.033 4.197 -9.542 1.00 0.00 C ATOM 1259 O ARG A 85 12.935 4.217 -10.379 1.00 0.00 O ATOM 1260 CB ARG A 85 10.994 1.930 -9.489 1.00 0.00 C ATOM 1261 CG ARG A 85 11.585 0.527 -9.342 1.00 0.00 C ATOM 1262 CD ARG A 85 12.801 0.346 -10.252 1.00 0.00 C ATOM 1263 NE ARG A 85 12.406 0.520 -11.667 1.00 0.00 N ATOM 1264 CZ ARG A 85 13.279 0.595 -12.695 1.00 0.00 C ATOM 1265 NH1 ARG A 85 14.608 0.514 -12.472 1.00 0.00 N ATOM 1266 NH2 ARG A 85 12.813 0.751 -13.919 1.00 0.00 N ATOM 0 H ARG A 85 10.158 2.950 -7.380 1.00 0.00 H new ATOM 0 HA ARG A 85 12.756 2.511 -8.409 1.00 0.00 H new ATOM 0 HB2 ARG A 85 9.958 1.929 -9.151 1.00 0.00 H new ATOM 0 HB3 ARG A 85 10.986 2.216 -10.541 1.00 0.00 H new ATOM 0 HG2 ARG A 85 11.874 0.357 -8.305 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.828 -0.218 -9.588 1.00 0.00 H new ATOM 0 HD2 ARG A 85 13.572 1.070 -9.990 1.00 0.00 H new ATOM 0 HD3 ARG A 85 13.231 -0.645 -10.105 1.00 0.00 H new ATOM 0 HE ARG A 85 11.411 0.588 -11.880 1.00 0.00 H new ATOM 0 HH11 ARG A 85 14.959 0.395 -11.522 1.00 0.00 H new ATOM 0 HH12 ARG A 85 15.261 0.571 -13.254 1.00 0.00 H new ATOM 0 HH21 ARG A 85 11.807 0.813 -14.078 1.00 0.00 H new ATOM 0 HH22 ARG A 85 13.458 0.810 -14.707 1.00 0.00 H new ATOM 1278 N GLU A 86 11.208 5.205 -9.303 1.00 0.00 N ATOM 1279 CA GLU A 86 11.314 6.450 -10.044 1.00 0.00 C ATOM 1280 C GLU A 86 12.505 7.269 -9.538 1.00 0.00 C ATOM 1281 O GLU A 86 13.144 7.983 -10.308 1.00 0.00 O ATOM 1282 CB GLU A 86 10.017 7.255 -9.953 1.00 0.00 C ATOM 1283 CG GLU A 86 10.138 8.578 -10.713 1.00 0.00 C ATOM 1284 CD GLU A 86 10.508 9.722 -9.767 1.00 0.00 C ATOM 1285 OE1 GLU A 86 9.850 9.912 -8.734 1.00 0.00 O ATOM 1286 OE2 GLU A 86 11.522 10.429 -10.138 1.00 0.00 O ATOM 0 H GLU A 86 10.463 5.185 -8.607 1.00 0.00 H new ATOM 0 HA GLU A 86 11.481 6.212 -11.094 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.193 6.671 -10.362 1.00 0.00 H new ATOM 0 HB3 GLU A 86 9.780 7.452 -8.908 1.00 0.00 H new ATOM 0 HG2 GLU A 86 10.895 8.486 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.195 8.803 -11.210 1.00 0.00 H new ATOM 1294 N GLU A 87 12.766 7.137 -8.246 1.00 0.00 N ATOM 1295 CA GLU A 87 13.867 7.855 -7.628 1.00 0.00 C ATOM 1296 C GLU A 87 14.057 7.393 -6.181 1.00 0.00 C ATOM 1297 O GLU A 87 13.088 7.065 -5.499 1.00 0.00 O ATOM 1298 CB GLU A 87 13.642 9.367 -7.695 1.00 0.00 C ATOM 1299 CG GLU A 87 14.761 10.120 -6.973 1.00 0.00 C ATOM 1300 CD GLU A 87 14.449 11.615 -6.887 1.00 0.00 C ATOM 1301 OE1 GLU A 87 14.554 12.330 -7.895 1.00 0.00 O ATOM 1302 OE2 GLU A 87 14.084 12.029 -5.720 1.00 0.00 O ATOM 0 H GLU A 87 12.234 6.543 -7.610 1.00 0.00 H new ATOM 0 HA GLU A 87 14.778 7.631 -8.183 1.00 0.00 H new ATOM 0 HB2 GLU A 87 13.597 9.686 -8.736 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.681 9.616 -7.244 1.00 0.00 H new ATOM 0 HG2 GLU A 87 14.889 9.713 -5.970 1.00 0.00 H new ATOM 0 HG3 GLU A 87 15.703 9.971 -7.500 1.00 0.00 H new TER 1310 GLU A 87