USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 544 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 13 THR OG1 : rot 22:sc= 0.687 USER MOD Set 1.2: A 14 CYS SG : rot 180:sc= -1.03 USER MOD Set 1.3: A 17 CYS SG : rot -100:sc= 0.622 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 MET CE :methyl -169:sc= -3.21! (180deg=-3.63!) USER MOD Single : A 19 ASN : amide:sc= 0.644 K(o=0.64,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= 1.11 K(o=1.1,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -163:sc= -0.0603 (180deg=-0.33) USER MOD Single : A 33 ASN : amide:sc= 0.777 K(o=0.78,f=-1.2) USER MOD Single : A 37 ASN : amide:sc= -2.08 K(o=-2.1,f=-0.25) USER MOD Single : A 42 THR OG1 : rot 65:sc= 1.24 USER MOD Single : A 44 THR OG1 : rot -93:sc= 1.29 USER MOD Single : A 47 TYR OH : rot 84:sc= 1.23 USER MOD Single : A 48 ASN : amide:sc= -0.243 X(o=-0.24,f=-0.29) USER MOD Single : A 50 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0152) USER MOD Single : A 53 SER OG : rot 180:sc= -0.234 USER MOD Single : A 55 SER OG : rot 180:sc= 0.0232 USER MOD Single : A 58 LYS NZ :NH3+ -171:sc= 1.12 (180deg=1.07) USER MOD Single : A 63 LYS NZ :NH3+ 147:sc= 1.12 (180deg=0.446) USER MOD Single : A 66 TYR OH : rot 102:sc= -0.0809 USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 0.73 (180deg=-0.284) USER MOD Single : A 69 LYS NZ :NH3+ -153:sc= -0.271 (180deg=-1.22!) USER MOD Single : A 71 LYS NZ :NH3+ 173:sc= 1.19 (180deg=1.1) USER MOD ----------------------------------------------------------------- ATOM 34 N GLU A 3 2.981 12.742 4.982 1.00 10.00 N ATOM 35 CA GLU A 3 2.926 12.937 3.555 1.00 10.00 C ATOM 36 C GLU A 3 1.904 11.918 3.065 1.00 10.00 C ATOM 37 O GLU A 3 1.702 10.885 3.709 1.00 10.00 O ATOM 38 CB GLU A 3 4.308 12.740 2.912 1.00 10.00 C ATOM 39 CG GLU A 3 4.812 11.286 2.930 1.00 10.00 C ATOM 40 CD GLU A 3 6.224 11.169 2.366 1.00 10.00 C ATOM 41 OE1 GLU A 3 6.951 12.180 2.426 1.00 10.00 O ATOM 42 OE2 GLU A 3 6.563 10.062 1.892 1.00 10.00 O ATOM 0 HA GLU A 3 2.636 13.952 3.283 1.00 10.00 H new ATOM 0 HB2 GLU A 3 4.268 13.086 1.879 1.00 10.00 H new ATOM 0 HB3 GLU A 3 5.031 13.369 3.431 1.00 10.00 H new ATOM 0 HG2 GLU A 3 4.797 10.909 3.952 1.00 10.00 H new ATOM 0 HG3 GLU A 3 4.135 10.660 2.349 1.00 10.00 H new ATOM 49 N LYS A 4 1.242 12.251 1.963 1.00 10.00 N ATOM 50 CA LYS A 4 0.215 11.446 1.327 1.00 10.00 C ATOM 51 C LYS A 4 0.728 11.094 -0.062 1.00 10.00 C ATOM 52 O LYS A 4 0.811 11.950 -0.938 1.00 10.00 O ATOM 53 CB LYS A 4 -1.095 12.220 1.234 1.00 10.00 C ATOM 54 CG LYS A 4 -1.606 12.641 2.620 1.00 10.00 C ATOM 55 CD LYS A 4 -2.718 13.689 2.546 1.00 10.00 C ATOM 56 CE LYS A 4 -3.979 13.126 1.881 1.00 10.00 C ATOM 57 NZ LYS A 4 -5.112 14.069 1.930 1.00 10.00 N ATOM 0 H LYS A 4 1.416 13.127 1.470 1.00 10.00 H new ATOM 0 HA LYS A 4 0.014 10.545 1.907 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -0.951 13.105 0.615 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -1.847 11.604 0.740 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -1.975 11.762 3.149 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -0.776 13.039 3.203 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -2.960 14.036 3.551 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -2.366 14.555 1.986 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -3.759 12.881 0.842 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -4.262 12.197 2.375 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -5.940 13.642 1.468 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -5.342 14.284 2.921 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -4.854 14.947 1.436 1.00 10.00 H new ATOM 71 N ALA A 5 1.070 9.828 -0.227 1.00 10.00 N ATOM 72 CA ALA A 5 1.699 9.225 -1.391 1.00 10.00 C ATOM 73 C ALA A 5 0.653 8.340 -2.058 1.00 10.00 C ATOM 74 O ALA A 5 -0.295 7.946 -1.379 1.00 10.00 O ATOM 75 CB ALA A 5 2.882 8.393 -0.901 1.00 10.00 C ATOM 0 H ALA A 5 0.902 9.140 0.507 1.00 10.00 H new ATOM 0 HA ALA A 5 2.058 9.967 -2.104 1.00 10.00 H new ATOM 0 HB1 ALA A 5 3.376 7.926 -1.753 1.00 10.00 H new ATOM 0 HB2 ALA A 5 3.589 9.038 -0.380 1.00 10.00 H new ATOM 0 HB3 ALA A 5 2.526 7.620 -0.220 1.00 10.00 H new ATOM 81 N GLU A 6 0.779 8.017 -3.349 1.00 10.00 N ATOM 82 CA GLU A 6 -0.261 7.270 -4.021 1.00 10.00 C ATOM 83 C GLU A 6 0.385 6.297 -4.971 1.00 10.00 C ATOM 84 O GLU A 6 1.347 6.677 -5.639 1.00 10.00 O ATOM 85 CB GLU A 6 -1.179 8.237 -4.756 1.00 10.00 C ATOM 86 CG GLU A 6 -2.436 7.507 -5.211 1.00 10.00 C ATOM 87 CD GLU A 6 -3.587 8.467 -5.419 1.00 10.00 C ATOM 88 OE1 GLU A 6 -4.209 8.796 -4.385 1.00 10.00 O ATOM 89 OE2 GLU A 6 -3.820 8.824 -6.592 1.00 10.00 O ATOM 0 H GLU A 6 1.580 8.261 -3.932 1.00 10.00 H new ATOM 0 HA GLU A 6 -0.863 6.712 -3.304 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -1.446 9.068 -4.103 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -0.662 8.661 -5.617 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -2.233 6.974 -6.140 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -2.714 6.759 -4.468 1.00 10.00 H new ATOM 96 N PHE A 7 -0.112 5.058 -4.981 1.00 10.00 N ATOM 97 CA PHE A 7 0.482 3.918 -5.648 1.00 10.00 C ATOM 98 C PHE A 7 -0.569 3.163 -6.450 1.00 10.00 C ATOM 99 O PHE A 7 -1.742 3.175 -6.087 1.00 10.00 O ATOM 100 CB PHE A 7 1.067 2.967 -4.603 1.00 10.00 C ATOM 101 CG PHE A 7 1.867 3.596 -3.483 1.00 10.00 C ATOM 102 CD1 PHE A 7 2.758 4.645 -3.748 1.00 10.00 C ATOM 103 CD2 PHE A 7 1.791 3.072 -2.183 1.00 10.00 C ATOM 104 CE1 PHE A 7 3.455 5.268 -2.708 1.00 10.00 C ATOM 105 CE2 PHE A 7 2.593 3.613 -1.168 1.00 10.00 C ATOM 106 CZ PHE A 7 3.370 4.758 -1.405 1.00 10.00 C ATOM 0 H PHE A 7 -0.979 4.821 -4.500 1.00 10.00 H new ATOM 0 HA PHE A 7 1.262 4.277 -6.319 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.247 2.403 -4.160 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.707 2.249 -5.117 1.00 10.00 H new ATOM 0 HD1 PHE A 7 2.908 4.975 -4.765 1.00 10.00 H new ATOM 0 HD2 PHE A 7 1.118 2.256 -1.966 1.00 10.00 H new ATOM 0 HE1 PHE A 7 4.058 6.141 -2.908 1.00 10.00 H new ATOM 0 HE2 PHE A 7 2.613 3.145 -0.195 1.00 10.00 H new ATOM 0 HZ PHE A 7 3.896 5.240 -0.594 1.00 10.00 H new ATOM 116 N ASP A 8 -0.123 2.469 -7.495 1.00 10.00 N ATOM 117 CA ASP A 8 -0.912 1.646 -8.393 1.00 10.00 C ATOM 118 C ASP A 8 -0.840 0.231 -7.833 1.00 10.00 C ATOM 119 O ASP A 8 0.238 -0.119 -7.347 1.00 10.00 O ATOM 120 CB ASP A 8 -0.232 1.679 -9.770 1.00 10.00 C ATOM 121 CG ASP A 8 -1.212 1.335 -10.874 1.00 10.00 C ATOM 122 OD1 ASP A 8 -1.545 0.141 -10.976 1.00 10.00 O ATOM 123 OD2 ASP A 8 -1.593 2.284 -11.598 1.00 10.00 O ATOM 0 H ASP A 8 0.865 2.471 -7.749 1.00 10.00 H new ATOM 0 HA ASP A 8 -1.944 1.986 -8.483 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.187 2.669 -9.948 1.00 10.00 H new ATOM 0 HB3 ASP A 8 0.599 0.974 -9.785 1.00 10.00 H new ATOM 128 N ILE A 9 -1.919 -0.561 -7.848 1.00 10.00 N ATOM 129 CA ILE A 9 -1.851 -1.948 -7.390 1.00 10.00 C ATOM 130 C ILE A 9 -2.197 -2.915 -8.521 1.00 10.00 C ATOM 131 O ILE A 9 -3.294 -2.859 -9.072 1.00 10.00 O ATOM 132 CB ILE A 9 -2.769 -2.219 -6.192 1.00 10.00 C ATOM 133 CG1 ILE A 9 -2.774 -1.138 -5.107 1.00 10.00 C ATOM 134 CG2 ILE A 9 -2.282 -3.493 -5.512 1.00 10.00 C ATOM 135 CD1 ILE A 9 -3.874 -0.132 -5.395 1.00 10.00 C ATOM 0 H ILE A 9 -2.841 -0.266 -8.170 1.00 10.00 H new ATOM 0 HA ILE A 9 -0.822 -2.112 -7.069 1.00 10.00 H new ATOM 0 HB ILE A 9 -3.777 -2.270 -6.603 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -2.930 -1.592 -4.128 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -1.807 -0.636 -5.076 1.00 10.00 H new ATOM 0 HG21 ILE A 9 -2.917 -3.713 -4.654 1.00 10.00 H new ATOM 0 HG22 ILE A 9 -2.327 -4.322 -6.218 1.00 10.00 H new ATOM 0 HG23 ILE A 9 -1.254 -3.357 -5.177 1.00 10.00 H new ATOM 0 HD11 ILE A 9 -3.876 0.636 -4.622 1.00 10.00 H new ATOM 0 HD12 ILE A 9 -3.699 0.331 -6.366 1.00 10.00 H new ATOM 0 HD13 ILE A 9 -4.838 -0.640 -5.404 1.00 10.00 H new ATOM 147 N GLU A 10 -1.292 -3.857 -8.798 1.00 10.00 N ATOM 148 CA GLU A 10 -1.440 -4.836 -9.858 1.00 10.00 C ATOM 149 C GLU A 10 -1.773 -6.201 -9.248 1.00 10.00 C ATOM 150 O GLU A 10 -0.904 -6.851 -8.662 1.00 10.00 O ATOM 151 CB GLU A 10 -0.143 -4.913 -10.673 1.00 10.00 C ATOM 152 CG GLU A 10 0.539 -3.563 -10.971 1.00 10.00 C ATOM 153 CD GLU A 10 1.945 -3.752 -11.535 1.00 10.00 C ATOM 154 OE1 GLU A 10 2.088 -4.609 -12.433 1.00 10.00 O ATOM 155 OE2 GLU A 10 2.866 -3.066 -11.034 1.00 10.00 O ATOM 0 H GLU A 10 -0.421 -3.956 -8.276 1.00 10.00 H new ATOM 0 HA GLU A 10 -2.252 -4.540 -10.522 1.00 10.00 H new ATOM 0 HB2 GLU A 10 0.564 -5.546 -10.137 1.00 10.00 H new ATOM 0 HB3 GLU A 10 -0.359 -5.407 -11.620 1.00 10.00 H new ATOM 0 HG2 GLU A 10 -0.065 -2.999 -11.682 1.00 10.00 H new ATOM 0 HG3 GLU A 10 0.590 -2.972 -10.057 1.00 10.00 H new ATOM 162 N GLY A 11 -3.025 -6.636 -9.411 1.00 10.00 N ATOM 163 CA GLY A 11 -3.491 -7.969 -9.045 1.00 10.00 C ATOM 164 C GLY A 11 -4.951 -7.972 -8.592 1.00 10.00 C ATOM 165 O GLY A 11 -5.822 -8.375 -9.357 1.00 10.00 O ATOM 0 H GLY A 11 -3.759 -6.053 -9.812 1.00 10.00 H new ATOM 0 HA2 GLY A 11 -3.377 -8.638 -9.898 1.00 10.00 H new ATOM 0 HA3 GLY A 11 -2.864 -8.363 -8.245 1.00 10.00 H new ATOM 169 N MET A 12 -5.201 -7.543 -7.348 1.00 10.00 N ATOM 170 CA MET A 12 -6.512 -7.442 -6.710 1.00 10.00 C ATOM 171 C MET A 12 -7.518 -8.519 -7.131 1.00 10.00 C ATOM 172 O MET A 12 -8.566 -8.228 -7.701 1.00 10.00 O ATOM 173 CB MET A 12 -7.072 -6.040 -6.927 1.00 10.00 C ATOM 174 CG MET A 12 -6.003 -4.977 -6.661 1.00 10.00 C ATOM 175 SD MET A 12 -6.657 -3.372 -6.164 1.00 10.00 S ATOM 176 CE MET A 12 -7.168 -3.864 -4.506 1.00 10.00 C ATOM 0 H MET A 12 -4.449 -7.241 -6.729 1.00 10.00 H new ATOM 0 HA MET A 12 -6.354 -7.626 -5.647 1.00 10.00 H new ATOM 0 HB2 MET A 12 -7.439 -5.945 -7.949 1.00 10.00 H new ATOM 0 HB3 MET A 12 -7.924 -5.878 -6.266 1.00 10.00 H new ATOM 0 HG2 MET A 12 -5.333 -5.340 -5.882 1.00 10.00 H new ATOM 0 HG3 MET A 12 -5.404 -4.848 -7.562 1.00 10.00 H new ATOM 0 HE1 MET A 12 -7.783 -3.079 -4.067 1.00 10.00 H new ATOM 0 HE2 MET A 12 -7.744 -4.788 -4.562 1.00 10.00 H new ATOM 0 HE3 MET A 12 -6.286 -4.024 -3.886 1.00 10.00 H new ATOM 186 N THR A 13 -7.218 -9.773 -6.806 1.00 10.00 N ATOM 187 CA THR A 13 -8.065 -10.893 -7.186 1.00 10.00 C ATOM 188 C THR A 13 -9.346 -10.934 -6.345 1.00 10.00 C ATOM 189 O THR A 13 -10.361 -11.435 -6.827 1.00 10.00 O ATOM 190 CB THR A 13 -7.259 -12.195 -7.116 1.00 10.00 C ATOM 191 OG1 THR A 13 -6.497 -12.203 -5.932 1.00 10.00 O ATOM 192 CG2 THR A 13 -6.288 -12.287 -8.297 1.00 10.00 C ATOM 0 H THR A 13 -6.388 -10.038 -6.276 1.00 10.00 H new ATOM 0 HA THR A 13 -8.393 -10.765 -8.217 1.00 10.00 H new ATOM 0 HB THR A 13 -7.954 -13.034 -7.142 1.00 10.00 H new ATOM 0 HG1 THR A 13 -6.894 -11.585 -5.283 1.00 10.00 H new ATOM 0 HG21 THR A 13 -5.723 -13.217 -8.232 1.00 10.00 H new ATOM 0 HG22 THR A 13 -6.849 -12.267 -9.231 1.00 10.00 H new ATOM 0 HG23 THR A 13 -5.600 -11.442 -8.269 1.00 10.00 H new ATOM 200 N CYS A 14 -9.331 -10.397 -5.118 1.00 10.00 N ATOM 201 CA CYS A 14 -10.534 -10.230 -4.317 1.00 10.00 C ATOM 202 C CYS A 14 -10.389 -9.032 -3.384 1.00 10.00 C ATOM 203 O CYS A 14 -9.284 -8.551 -3.143 1.00 10.00 O ATOM 204 CB CYS A 14 -10.813 -11.516 -3.529 1.00 10.00 C ATOM 205 SG CYS A 14 -9.550 -11.914 -2.297 1.00 10.00 S ATOM 0 H CYS A 14 -8.481 -10.069 -4.660 1.00 10.00 H new ATOM 0 HA CYS A 14 -11.381 -10.038 -4.975 1.00 10.00 H new ATOM 0 HB2 CYS A 14 -11.777 -11.421 -3.029 1.00 10.00 H new ATOM 0 HB3 CYS A 14 -10.898 -12.347 -4.229 1.00 10.00 H new ATOM 0 HG CYS A 14 -9.874 -13.013 -1.683 1.00 10.00 H new ATOM 210 N ALA A 15 -11.500 -8.555 -2.817 1.00 10.00 N ATOM 211 CA ALA A 15 -11.477 -7.465 -1.847 1.00 10.00 C ATOM 212 C ALA A 15 -10.558 -7.790 -0.661 1.00 10.00 C ATOM 213 O ALA A 15 -9.939 -6.900 -0.076 1.00 10.00 O ATOM 214 CB ALA A 15 -12.903 -7.169 -1.377 1.00 10.00 C ATOM 0 H ALA A 15 -12.434 -8.913 -3.018 1.00 10.00 H new ATOM 0 HA ALA A 15 -11.071 -6.576 -2.329 1.00 10.00 H new ATOM 0 HB1 ALA A 15 -12.886 -6.355 -0.652 1.00 10.00 H new ATOM 0 HB2 ALA A 15 -13.515 -6.881 -2.232 1.00 10.00 H new ATOM 0 HB3 ALA A 15 -13.325 -8.060 -0.912 1.00 10.00 H new ATOM 220 N ALA A 16 -10.450 -9.074 -0.300 1.00 10.00 N ATOM 221 CA ALA A 16 -9.560 -9.479 0.772 1.00 10.00 C ATOM 222 C ALA A 16 -8.095 -9.199 0.419 1.00 10.00 C ATOM 223 O ALA A 16 -7.329 -8.905 1.335 1.00 10.00 O ATOM 224 CB ALA A 16 -9.799 -10.935 1.180 1.00 10.00 C ATOM 0 H ALA A 16 -10.967 -9.838 -0.736 1.00 10.00 H new ATOM 0 HA ALA A 16 -9.792 -8.870 1.646 1.00 10.00 H new ATOM 0 HB1 ALA A 16 -9.115 -11.204 1.985 1.00 10.00 H new ATOM 0 HB2 ALA A 16 -10.827 -11.053 1.523 1.00 10.00 H new ATOM 0 HB3 ALA A 16 -9.625 -11.586 0.323 1.00 10.00 H new ATOM 230 N CYS A 17 -7.700 -9.240 -0.866 1.00 10.00 N ATOM 231 CA CYS A 17 -6.361 -8.820 -1.276 1.00 10.00 C ATOM 232 C CYS A 17 -6.139 -7.381 -0.843 1.00 10.00 C ATOM 233 O CYS A 17 -5.201 -7.095 -0.097 1.00 10.00 O ATOM 234 CB CYS A 17 -6.163 -8.918 -2.793 1.00 10.00 C ATOM 235 SG CYS A 17 -5.894 -10.593 -3.405 1.00 10.00 S ATOM 0 H CYS A 17 -8.292 -9.560 -1.632 1.00 10.00 H new ATOM 0 HA CYS A 17 -5.643 -9.488 -0.801 1.00 10.00 H new ATOM 0 HB2 CYS A 17 -7.039 -8.500 -3.289 1.00 10.00 H new ATOM 0 HB3 CYS A 17 -5.311 -8.300 -3.076 1.00 10.00 H new ATOM 0 HG CYS A 17 -4.624 -10.781 -3.610 1.00 10.00 H new ATOM 240 N ALA A 18 -7.012 -6.496 -1.326 1.00 10.00 N ATOM 241 CA ALA A 18 -7.029 -5.093 -0.947 1.00 10.00 C ATOM 242 C ALA A 18 -6.850 -4.948 0.570 1.00 10.00 C ATOM 243 O ALA A 18 -5.899 -4.326 1.039 1.00 10.00 O ATOM 244 CB ALA A 18 -8.313 -4.449 -1.467 1.00 10.00 C ATOM 0 H ALA A 18 -7.736 -6.743 -2.001 1.00 10.00 H new ATOM 0 HA ALA A 18 -6.192 -4.565 -1.403 1.00 10.00 H new ATOM 0 HB1 ALA A 18 -8.332 -3.396 -1.186 1.00 10.00 H new ATOM 0 HB2 ALA A 18 -8.349 -4.535 -2.553 1.00 10.00 H new ATOM 0 HB3 ALA A 18 -9.175 -4.956 -1.034 1.00 10.00 H new ATOM 250 N ASN A 19 -7.721 -5.587 1.354 1.00 10.00 N ATOM 251 CA ASN A 19 -7.628 -5.479 2.806 1.00 10.00 C ATOM 252 C ASN A 19 -6.334 -6.080 3.379 1.00 10.00 C ATOM 253 O ASN A 19 -5.808 -5.583 4.375 1.00 10.00 O ATOM 254 CB ASN A 19 -8.860 -6.088 3.467 1.00 10.00 C ATOM 255 CG ASN A 19 -8.822 -5.842 4.971 1.00 10.00 C ATOM 256 OD1 ASN A 19 -8.674 -6.790 5.743 1.00 10.00 O ATOM 257 ND2 ASN A 19 -8.939 -4.584 5.400 1.00 10.00 N ATOM 0 H ASN A 19 -8.483 -6.173 1.014 1.00 10.00 H new ATOM 0 HA ASN A 19 -7.591 -4.415 3.039 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -9.764 -5.652 3.042 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -8.898 -7.159 3.266 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -8.907 -4.381 6.399 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -9.060 -3.826 4.729 1.00 10.00 H new ATOM 264 N ARG A 20 -5.796 -7.147 2.776 1.00 10.00 N ATOM 265 CA ARG A 20 -4.503 -7.697 3.153 1.00 10.00 C ATOM 266 C ARG A 20 -3.429 -6.610 3.021 1.00 10.00 C ATOM 267 O ARG A 20 -2.559 -6.500 3.888 1.00 10.00 O ATOM 268 CB ARG A 20 -4.153 -8.905 2.267 1.00 10.00 C ATOM 269 CG ARG A 20 -4.054 -10.264 2.973 1.00 10.00 C ATOM 270 CD ARG A 20 -5.423 -10.929 3.157 1.00 10.00 C ATOM 271 NE ARG A 20 -6.202 -10.310 4.239 1.00 10.00 N ATOM 272 CZ ARG A 20 -6.143 -10.687 5.527 1.00 10.00 C ATOM 273 NH1 ARG A 20 -5.219 -11.577 5.913 1.00 10.00 N ATOM 274 NH2 ARG A 20 -6.997 -10.179 6.422 1.00 10.00 N ATOM 0 H ARG A 20 -6.251 -7.649 2.013 1.00 10.00 H new ATOM 0 HA ARG A 20 -4.547 -8.036 4.188 1.00 10.00 H new ATOM 0 HB2 ARG A 20 -4.905 -8.982 1.482 1.00 10.00 H new ATOM 0 HB3 ARG A 20 -3.200 -8.704 1.777 1.00 10.00 H new ATOM 0 HG2 ARG A 20 -3.407 -10.924 2.395 1.00 10.00 H new ATOM 0 HG3 ARG A 20 -3.584 -10.131 3.947 1.00 10.00 H new ATOM 0 HD2 ARG A 20 -5.984 -10.864 2.225 1.00 10.00 H new ATOM 0 HD3 ARG A 20 -5.284 -11.988 3.372 1.00 10.00 H new ATOM 0 HE ARG A 20 -6.829 -9.543 3.996 1.00 10.00 H new ATOM 0 HH11 ARG A 20 -4.567 -11.963 5.231 1.00 10.00 H new ATOM 0 HH12 ARG A 20 -5.168 -11.868 6.889 1.00 10.00 H new ATOM 0 HH21 ARG A 20 -7.700 -9.500 6.128 1.00 10.00 H new ATOM 0 HH22 ARG A 20 -6.946 -10.470 7.398 1.00 10.00 H new ATOM 288 N ILE A 21 -3.488 -5.808 1.948 1.00 10.00 N ATOM 289 CA ILE A 21 -2.546 -4.703 1.782 1.00 10.00 C ATOM 290 C ILE A 21 -2.658 -3.783 2.992 1.00 10.00 C ATOM 291 O ILE A 21 -1.664 -3.512 3.657 1.00 10.00 O ATOM 292 CB ILE A 21 -2.733 -3.897 0.476 1.00 10.00 C ATOM 293 CG1 ILE A 21 -3.195 -4.767 -0.694 1.00 10.00 C ATOM 294 CG2 ILE A 21 -1.406 -3.222 0.129 1.00 10.00 C ATOM 295 CD1 ILE A 21 -2.914 -4.233 -2.101 1.00 10.00 C ATOM 0 H ILE A 21 -4.169 -5.905 1.195 1.00 10.00 H new ATOM 0 HA ILE A 21 -1.551 -5.141 1.708 1.00 10.00 H new ATOM 0 HB ILE A 21 -3.516 -3.158 0.644 1.00 10.00 H new ATOM 0 HG12 ILE A 21 -2.721 -5.744 -0.600 1.00 10.00 H new ATOM 0 HG13 ILE A 21 -4.269 -4.924 -0.598 1.00 10.00 H new ATOM 0 HG21 ILE A 21 -1.519 -2.648 -0.791 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -1.115 -2.554 0.940 1.00 10.00 H new ATOM 0 HG23 ILE A 21 -0.637 -3.982 -0.010 1.00 10.00 H new ATOM 0 HD11 ILE A 21 -3.289 -4.940 -2.840 1.00 10.00 H new ATOM 0 HD12 ILE A 21 -3.412 -3.273 -2.232 1.00 10.00 H new ATOM 0 HD13 ILE A 21 -1.840 -4.105 -2.234 1.00 10.00 H new ATOM 307 N GLU A 22 -3.880 -3.340 3.294 1.00 10.00 N ATOM 308 CA GLU A 22 -4.154 -2.418 4.393 1.00 10.00 C ATOM 309 C GLU A 22 -3.565 -2.966 5.689 1.00 10.00 C ATOM 310 O GLU A 22 -2.849 -2.260 6.401 1.00 10.00 O ATOM 311 CB GLU A 22 -5.664 -2.165 4.537 1.00 10.00 C ATOM 312 CG GLU A 22 -6.255 -1.684 3.214 1.00 10.00 C ATOM 313 CD GLU A 22 -7.742 -1.387 3.255 1.00 10.00 C ATOM 314 OE1 GLU A 22 -8.449 -2.111 4.003 1.00 10.00 O ATOM 315 OE2 GLU A 22 -8.128 -0.478 2.484 1.00 10.00 O ATOM 0 H GLU A 22 -4.714 -3.615 2.776 1.00 10.00 H new ATOM 0 HA GLU A 22 -3.681 -1.461 4.172 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -6.163 -3.081 4.853 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -5.841 -1.421 5.313 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -5.727 -0.783 2.902 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -6.070 -2.442 2.452 1.00 10.00 H new ATOM 322 N LYS A 23 -3.846 -4.238 5.976 1.00 10.00 N ATOM 323 CA LYS A 23 -3.312 -4.953 7.114 1.00 10.00 C ATOM 324 C LYS A 23 -1.781 -4.854 7.163 1.00 10.00 C ATOM 325 O LYS A 23 -1.229 -4.407 8.169 1.00 10.00 O ATOM 326 CB LYS A 23 -3.788 -6.409 7.023 1.00 10.00 C ATOM 327 CG LYS A 23 -5.109 -6.689 7.756 1.00 10.00 C ATOM 328 CD LYS A 23 -4.913 -7.197 9.195 1.00 10.00 C ATOM 329 CE LYS A 23 -4.335 -6.128 10.136 1.00 10.00 C ATOM 330 NZ LYS A 23 -4.334 -6.570 11.547 1.00 10.00 N ATOM 0 H LYS A 23 -4.469 -4.806 5.402 1.00 10.00 H new ATOM 0 HA LYS A 23 -3.674 -4.509 8.041 1.00 10.00 H new ATOM 0 HB2 LYS A 23 -3.905 -6.676 5.973 1.00 10.00 H new ATOM 0 HB3 LYS A 23 -3.014 -7.058 7.432 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -5.704 -5.776 7.779 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -5.679 -7.427 7.192 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -5.871 -7.539 9.587 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -4.247 -8.060 9.182 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -3.316 -5.890 9.831 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -4.918 -5.212 10.044 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -3.936 -5.819 12.146 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -5.309 -6.773 11.848 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -3.757 -7.430 11.641 1.00 10.00 H new ATOM 344 N ARG A 24 -1.088 -5.288 6.104 1.00 10.00 N ATOM 345 CA ARG A 24 0.372 -5.247 6.081 1.00 10.00 C ATOM 346 C ARG A 24 0.889 -3.816 6.230 1.00 10.00 C ATOM 347 O ARG A 24 1.809 -3.582 7.005 1.00 10.00 O ATOM 348 CB ARG A 24 0.931 -5.892 4.806 1.00 10.00 C ATOM 349 CG ARG A 24 0.981 -7.425 4.891 1.00 10.00 C ATOM 350 CD ARG A 24 2.206 -7.963 5.642 1.00 10.00 C ATOM 351 NE ARG A 24 2.207 -9.438 5.681 1.00 10.00 N ATOM 352 CZ ARG A 24 2.561 -10.281 4.690 1.00 10.00 C ATOM 353 NH1 ARG A 24 3.015 -9.827 3.515 1.00 10.00 N ATOM 354 NH2 ARG A 24 2.450 -11.600 4.890 1.00 10.00 N ATOM 0 H ARG A 24 -1.514 -5.668 5.259 1.00 10.00 H new ATOM 0 HA ARG A 24 0.725 -5.826 6.934 1.00 10.00 H new ATOM 0 HB2 ARG A 24 0.315 -5.599 3.955 1.00 10.00 H new ATOM 0 HB3 ARG A 24 1.935 -5.509 4.620 1.00 10.00 H new ATOM 0 HG2 ARG A 24 0.078 -7.782 5.385 1.00 10.00 H new ATOM 0 HG3 ARG A 24 0.976 -7.836 3.882 1.00 10.00 H new ATOM 0 HD2 ARG A 24 3.116 -7.609 5.158 1.00 10.00 H new ATOM 0 HD3 ARG A 24 2.213 -7.570 6.659 1.00 10.00 H new ATOM 0 HE ARG A 24 1.906 -9.868 6.556 1.00 10.00 H new ATOM 0 HH11 ARG A 24 3.099 -8.823 3.354 1.00 10.00 H new ATOM 0 HH12 ARG A 24 3.277 -10.485 2.781 1.00 10.00 H new ATOM 0 HH21 ARG A 24 2.102 -11.953 5.781 1.00 10.00 H new ATOM 0 HH22 ARG A 24 2.713 -12.252 4.151 1.00 10.00 H new ATOM 368 N LEU A 25 0.311 -2.857 5.508 1.00 10.00 N ATOM 369 CA LEU A 25 0.751 -1.469 5.564 1.00 10.00 C ATOM 370 C LEU A 25 0.603 -0.927 6.985 1.00 10.00 C ATOM 371 O LEU A 25 1.550 -0.367 7.528 1.00 10.00 O ATOM 372 CB LEU A 25 -0.002 -0.620 4.530 1.00 10.00 C ATOM 373 CG LEU A 25 0.348 -0.994 3.078 1.00 10.00 C ATOM 374 CD1 LEU A 25 -0.531 -0.194 2.116 1.00 10.00 C ATOM 375 CD2 LEU A 25 1.812 -0.705 2.740 1.00 10.00 C ATOM 0 H LEU A 25 -0.470 -3.021 4.873 1.00 10.00 H new ATOM 0 HA LEU A 25 1.808 -1.416 5.305 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -1.075 -0.739 4.682 1.00 10.00 H new ATOM 0 HB3 LEU A 25 0.229 0.433 4.694 1.00 10.00 H new ATOM 0 HG LEU A 25 0.175 -2.065 2.974 1.00 10.00 H new ATOM 0 HD11 LEU A 25 -0.282 -0.460 1.089 1.00 10.00 H new ATOM 0 HD12 LEU A 25 -1.580 -0.423 2.306 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -0.359 0.872 2.267 1.00 10.00 H new ATOM 0 HD21 LEU A 25 2.009 -0.986 1.705 1.00 10.00 H new ATOM 0 HD22 LEU A 25 2.013 0.358 2.872 1.00 10.00 H new ATOM 0 HD23 LEU A 25 2.459 -1.281 3.402 1.00 10.00 H new ATOM 387 N ASN A 26 -0.550 -1.154 7.622 1.00 10.00 N ATOM 388 CA ASN A 26 -0.757 -0.823 9.030 1.00 10.00 C ATOM 389 C ASN A 26 0.309 -1.480 9.908 1.00 10.00 C ATOM 390 O ASN A 26 0.735 -0.912 10.909 1.00 10.00 O ATOM 391 CB ASN A 26 -2.147 -1.280 9.483 1.00 10.00 C ATOM 392 CG ASN A 26 -3.220 -0.227 9.222 1.00 10.00 C ATOM 393 OD1 ASN A 26 -3.640 0.478 10.132 1.00 10.00 O ATOM 394 ND2 ASN A 26 -3.692 -0.124 7.984 1.00 10.00 N ATOM 0 H ASN A 26 -1.365 -1.573 7.173 1.00 10.00 H new ATOM 0 HA ASN A 26 -0.679 0.259 9.136 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -2.411 -2.201 8.963 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -2.121 -1.512 10.548 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -4.423 0.555 7.772 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -3.323 -0.724 7.246 1.00 10.00 H new ATOM 401 N LYS A 27 0.716 -2.702 9.559 1.00 10.00 N ATOM 402 CA LYS A 27 1.785 -3.404 10.255 1.00 10.00 C ATOM 403 C LYS A 27 3.129 -2.664 10.186 1.00 10.00 C ATOM 404 O LYS A 27 3.954 -2.880 11.071 1.00 10.00 O ATOM 405 CB LYS A 27 1.908 -4.844 9.726 1.00 10.00 C ATOM 406 CG LYS A 27 2.288 -5.893 10.781 1.00 10.00 C ATOM 407 CD LYS A 27 1.091 -6.418 11.599 1.00 10.00 C ATOM 408 CE LYS A 27 0.715 -5.615 12.858 1.00 10.00 C ATOM 409 NZ LYS A 27 1.848 -5.457 13.796 1.00 10.00 N ATOM 0 H LYS A 27 0.311 -3.229 8.785 1.00 10.00 H new ATOM 0 HA LYS A 27 1.516 -3.438 11.311 1.00 10.00 H new ATOM 0 HB2 LYS A 27 0.958 -5.132 9.275 1.00 10.00 H new ATOM 0 HB3 LYS A 27 2.656 -4.861 8.933 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.773 -6.734 10.285 1.00 10.00 H new ATOM 0 HG3 LYS A 27 3.020 -5.460 11.463 1.00 10.00 H new ATOM 0 HD2 LYS A 27 0.220 -6.454 10.945 1.00 10.00 H new ATOM 0 HD3 LYS A 27 1.307 -7.443 11.900 1.00 10.00 H new ATOM 0 HE2 LYS A 27 0.355 -4.630 12.561 1.00 10.00 H new ATOM 0 HE3 LYS A 27 -0.108 -6.114 13.370 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 1.489 -5.175 14.730 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.358 -6.360 13.880 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 2.495 -4.726 13.439 1.00 10.00 H new ATOM 423 N ILE A 28 3.370 -1.834 9.163 1.00 10.00 N ATOM 424 CA ILE A 28 4.599 -1.055 9.071 1.00 10.00 C ATOM 425 C ILE A 28 4.490 0.150 10.005 1.00 10.00 C ATOM 426 O ILE A 28 3.529 0.918 9.969 1.00 10.00 O ATOM 427 CB ILE A 28 4.886 -0.577 7.638 1.00 10.00 C ATOM 428 CG1 ILE A 28 4.775 -1.643 6.546 1.00 10.00 C ATOM 429 CG2 ILE A 28 6.199 0.215 7.547 1.00 10.00 C ATOM 430 CD1 ILE A 28 6.014 -2.511 6.548 1.00 10.00 C ATOM 0 H ILE A 28 2.724 -1.688 8.387 1.00 10.00 H new ATOM 0 HA ILE A 28 5.428 -1.699 9.365 1.00 10.00 H new ATOM 0 HB ILE A 28 4.063 0.103 7.418 1.00 10.00 H new ATOM 0 HG12 ILE A 28 3.890 -2.257 6.713 1.00 10.00 H new ATOM 0 HG13 ILE A 28 4.654 -1.168 5.572 1.00 10.00 H new ATOM 0 HG21 ILE A 28 6.362 0.533 6.517 1.00 10.00 H new ATOM 0 HG22 ILE A 28 6.141 1.091 8.192 1.00 10.00 H new ATOM 0 HG23 ILE A 28 7.028 -0.417 7.867 1.00 10.00 H new ATOM 0 HD11 ILE A 28 5.929 -3.268 5.768 1.00 10.00 H new ATOM 0 HD12 ILE A 28 6.892 -1.893 6.359 1.00 10.00 H new ATOM 0 HD13 ILE A 28 6.115 -2.998 7.518 1.00 10.00 H new ATOM 442 N GLU A 29 5.518 0.326 10.821 1.00 10.00 N ATOM 443 CA GLU A 29 5.602 1.390 11.802 1.00 10.00 C ATOM 444 C GLU A 29 5.930 2.697 11.075 1.00 10.00 C ATOM 445 O GLU A 29 6.804 2.719 10.211 1.00 10.00 O ATOM 446 CB GLU A 29 6.631 1.003 12.874 1.00 10.00 C ATOM 447 CG GLU A 29 6.280 -0.377 13.458 1.00 10.00 C ATOM 448 CD GLU A 29 7.123 -0.724 14.677 1.00 10.00 C ATOM 449 OE1 GLU A 29 6.675 -0.370 15.790 1.00 10.00 O ATOM 450 OE2 GLU A 29 8.177 -1.361 14.474 1.00 10.00 O ATOM 0 H GLU A 29 6.336 -0.284 10.817 1.00 10.00 H new ATOM 0 HA GLU A 29 4.656 1.542 12.321 1.00 10.00 H new ATOM 0 HB2 GLU A 29 7.631 0.981 12.441 1.00 10.00 H new ATOM 0 HB3 GLU A 29 6.643 1.751 13.667 1.00 10.00 H new ATOM 0 HG2 GLU A 29 5.225 -0.395 13.732 1.00 10.00 H new ATOM 0 HG3 GLU A 29 6.423 -1.139 12.692 1.00 10.00 H new ATOM 457 N GLY A 30 5.184 3.764 11.372 1.00 10.00 N ATOM 458 CA GLY A 30 5.318 5.054 10.702 1.00 10.00 C ATOM 459 C GLY A 30 4.174 5.337 9.728 1.00 10.00 C ATOM 460 O GLY A 30 3.955 6.494 9.355 1.00 10.00 O ATOM 0 H GLY A 30 4.463 3.753 12.093 1.00 10.00 H new ATOM 0 HA2 GLY A 30 5.356 5.845 11.451 1.00 10.00 H new ATOM 0 HA3 GLY A 30 6.264 5.081 10.162 1.00 10.00 H new ATOM 464 N VAL A 31 3.437 4.301 9.311 1.00 10.00 N ATOM 465 CA VAL A 31 2.300 4.466 8.418 1.00 10.00 C ATOM 466 C VAL A 31 1.105 4.983 9.219 1.00 10.00 C ATOM 467 O VAL A 31 0.830 4.495 10.312 1.00 10.00 O ATOM 468 CB VAL A 31 2.012 3.158 7.662 1.00 10.00 C ATOM 469 CG1 VAL A 31 0.806 3.311 6.724 1.00 10.00 C ATOM 470 CG2 VAL A 31 3.234 2.768 6.818 1.00 10.00 C ATOM 0 H VAL A 31 3.615 3.335 9.584 1.00 10.00 H new ATOM 0 HA VAL A 31 2.523 5.208 7.651 1.00 10.00 H new ATOM 0 HB VAL A 31 1.793 2.388 8.402 1.00 10.00 H new ATOM 0 HG11 VAL A 31 0.628 2.370 6.204 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -0.076 3.577 7.306 1.00 10.00 H new ATOM 0 HG13 VAL A 31 1.009 4.095 5.995 1.00 10.00 H new ATOM 0 HG21 VAL A 31 3.026 1.841 6.284 1.00 10.00 H new ATOM 0 HG22 VAL A 31 3.448 3.560 6.100 1.00 10.00 H new ATOM 0 HG23 VAL A 31 4.096 2.626 7.470 1.00 10.00 H new ATOM 480 N ALA A 32 0.419 5.995 8.680 1.00 10.00 N ATOM 481 CA ALA A 32 -0.753 6.604 9.289 1.00 10.00 C ATOM 482 C ALA A 32 -2.015 5.936 8.749 1.00 10.00 C ATOM 483 O ALA A 32 -2.861 5.510 9.530 1.00 10.00 O ATOM 484 CB ALA A 32 -0.755 8.113 9.029 1.00 10.00 C ATOM 0 H ALA A 32 0.674 6.419 7.788 1.00 10.00 H new ATOM 0 HA ALA A 32 -0.728 6.456 10.369 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -1.636 8.560 9.489 1.00 10.00 H new ATOM 0 HB2 ALA A 32 0.143 8.557 9.458 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -0.773 8.297 7.955 1.00 10.00 H new ATOM 490 N ASN A 33 -2.158 5.835 7.422 1.00 10.00 N ATOM 491 CA ASN A 33 -3.280 5.124 6.814 1.00 10.00 C ATOM 492 C ASN A 33 -2.924 4.704 5.388 1.00 10.00 C ATOM 493 O ASN A 33 -1.864 5.064 4.884 1.00 10.00 O ATOM 494 CB ASN A 33 -4.568 5.962 6.872 1.00 10.00 C ATOM 495 CG ASN A 33 -4.455 7.257 6.072 1.00 10.00 C ATOM 496 OD1 ASN A 33 -4.473 7.227 4.846 1.00 10.00 O ATOM 497 ND2 ASN A 33 -4.332 8.389 6.765 1.00 10.00 N ATOM 0 H ASN A 33 -1.506 6.240 6.750 1.00 10.00 H new ATOM 0 HA ASN A 33 -3.476 4.218 7.387 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -5.400 5.372 6.488 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -4.798 6.199 7.911 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -4.248 9.280 6.276 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -4.322 8.364 7.785 1.00 10.00 H new ATOM 504 N ALA A 34 -3.793 3.909 4.759 1.00 10.00 N ATOM 505 CA ALA A 34 -3.587 3.336 3.433 1.00 10.00 C ATOM 506 C ALA A 34 -4.851 2.674 2.861 1.00 10.00 C ATOM 507 O ALA A 34 -4.802 1.493 2.528 1.00 10.00 O ATOM 508 CB ALA A 34 -2.445 2.316 3.495 1.00 10.00 C ATOM 0 H ALA A 34 -4.685 3.640 5.174 1.00 10.00 H new ATOM 0 HA ALA A 34 -3.333 4.155 2.761 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -2.288 1.885 2.506 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -1.532 2.812 3.824 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -2.702 1.524 4.199 1.00 10.00 H new ATOM 514 N PRO A 35 -5.981 3.387 2.732 1.00 10.00 N ATOM 515 CA PRO A 35 -7.203 2.816 2.178 1.00 10.00 C ATOM 516 C PRO A 35 -7.024 2.462 0.694 1.00 10.00 C ATOM 517 O PRO A 35 -6.764 3.351 -0.119 1.00 10.00 O ATOM 518 CB PRO A 35 -8.275 3.892 2.383 1.00 10.00 C ATOM 519 CG PRO A 35 -7.477 5.198 2.415 1.00 10.00 C ATOM 520 CD PRO A 35 -6.174 4.782 3.094 1.00 10.00 C ATOM 0 HA PRO A 35 -7.479 1.882 2.667 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.005 3.889 1.574 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -8.826 3.737 3.311 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -7.304 5.591 1.413 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -7.996 5.975 2.977 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -5.340 5.396 2.754 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -6.238 4.902 4.175 1.00 10.00 H new ATOM 528 N VAL A 36 -7.163 1.183 0.323 1.00 10.00 N ATOM 529 CA VAL A 36 -7.035 0.764 -1.075 1.00 10.00 C ATOM 530 C VAL A 36 -8.372 0.965 -1.806 1.00 10.00 C ATOM 531 O VAL A 36 -9.423 0.713 -1.220 1.00 10.00 O ATOM 532 CB VAL A 36 -6.597 -0.707 -1.130 1.00 10.00 C ATOM 533 CG1 VAL A 36 -6.403 -1.158 -2.581 1.00 10.00 C ATOM 534 CG2 VAL A 36 -5.283 -0.969 -0.387 1.00 10.00 C ATOM 0 H VAL A 36 -7.364 0.422 0.972 1.00 10.00 H new ATOM 0 HA VAL A 36 -6.280 1.372 -1.573 1.00 10.00 H new ATOM 0 HB VAL A 36 -7.394 -1.269 -0.644 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -6.093 -2.203 -2.599 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -7.341 -1.049 -3.125 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -5.636 -0.544 -3.054 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -5.027 -2.026 -0.462 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.488 -0.370 -0.832 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -5.398 -0.697 0.662 1.00 10.00 H new ATOM 544 N ASN A 37 -8.360 1.379 -3.086 1.00 10.00 N ATOM 545 CA ASN A 37 -9.583 1.595 -3.852 1.00 10.00 C ATOM 546 C ASN A 37 -9.736 0.595 -5.005 1.00 10.00 C ATOM 547 O ASN A 37 -9.027 0.670 -6.011 1.00 10.00 O ATOM 548 CB ASN A 37 -9.606 3.025 -4.380 1.00 10.00 C ATOM 549 CG ASN A 37 -10.774 3.208 -5.336 1.00 10.00 C ATOM 550 OD1 ASN A 37 -11.866 2.694 -5.120 1.00 10.00 O ATOM 551 ND2 ASN A 37 -10.536 3.907 -6.434 1.00 10.00 N ATOM 0 H ASN A 37 -7.505 1.570 -3.608 1.00 10.00 H new ATOM 0 HA ASN A 37 -10.428 1.434 -3.183 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -9.691 3.726 -3.550 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -8.669 3.248 -4.891 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -11.272 4.030 -7.130 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -9.617 4.322 -6.585 1.00 10.00 H new ATOM 558 N PHE A 38 -10.728 -0.293 -4.891 1.00 10.00 N ATOM 559 CA PHE A 38 -11.034 -1.348 -5.855 1.00 10.00 C ATOM 560 C PHE A 38 -11.796 -0.782 -7.066 1.00 10.00 C ATOM 561 O PHE A 38 -12.904 -1.216 -7.371 1.00 10.00 O ATOM 562 CB PHE A 38 -11.832 -2.451 -5.133 1.00 10.00 C ATOM 563 CG PHE A 38 -11.594 -3.862 -5.639 1.00 10.00 C ATOM 564 CD1 PHE A 38 -12.228 -4.329 -6.806 1.00 10.00 C ATOM 565 CD2 PHE A 38 -10.753 -4.727 -4.914 1.00 10.00 C ATOM 566 CE1 PHE A 38 -11.993 -5.639 -7.261 1.00 10.00 C ATOM 567 CE2 PHE A 38 -10.527 -6.038 -5.363 1.00 10.00 C ATOM 568 CZ PHE A 38 -11.142 -6.494 -6.541 1.00 10.00 C ATOM 0 H PHE A 38 -11.363 -0.295 -4.093 1.00 10.00 H new ATOM 0 HA PHE A 38 -10.112 -1.777 -6.246 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -11.587 -2.418 -4.071 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -12.895 -2.225 -5.222 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -12.896 -3.680 -7.353 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -10.279 -4.380 -4.008 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -12.468 -5.988 -8.166 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -9.880 -6.696 -4.802 1.00 10.00 H new ATOM 0 HZ PHE A 38 -10.961 -7.499 -6.892 1.00 10.00 H new ATOM 578 N ALA A 39 -11.214 0.204 -7.752 1.00 10.00 N ATOM 579 CA ALA A 39 -11.815 0.800 -8.946 1.00 10.00 C ATOM 580 C ALA A 39 -10.774 1.506 -9.808 1.00 10.00 C ATOM 581 O ALA A 39 -10.632 1.195 -10.985 1.00 10.00 O ATOM 582 CB ALA A 39 -12.945 1.759 -8.555 1.00 10.00 C ATOM 0 H ALA A 39 -10.314 0.611 -7.496 1.00 10.00 H new ATOM 0 HA ALA A 39 -12.237 -0.007 -9.545 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -13.381 2.193 -9.455 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -13.713 1.213 -8.007 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -12.546 2.554 -7.925 1.00 10.00 H new ATOM 588 N LEU A 40 -10.029 2.447 -9.219 1.00 10.00 N ATOM 589 CA LEU A 40 -8.950 3.159 -9.909 1.00 10.00 C ATOM 590 C LEU A 40 -7.644 2.381 -9.784 1.00 10.00 C ATOM 591 O LEU A 40 -6.593 2.877 -10.185 1.00 10.00 O ATOM 592 CB LEU A 40 -8.757 4.566 -9.323 1.00 10.00 C ATOM 593 CG LEU A 40 -10.006 5.400 -9.225 1.00 10.00 C ATOM 594 CD1 LEU A 40 -9.850 6.572 -8.246 1.00 10.00 C ATOM 595 CD2 LEU A 40 -10.437 5.900 -10.595 1.00 10.00 C ATOM 0 H LEU A 40 -10.158 2.736 -8.249 1.00 10.00 H new ATOM 0 HA LEU A 40 -9.226 3.249 -10.960 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -8.325 4.470 -8.327 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -8.031 5.100 -9.936 1.00 10.00 H new ATOM 0 HG LEU A 40 -10.787 4.751 -8.829 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.778 7.143 -8.211 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -9.623 6.188 -7.252 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.038 7.219 -8.579 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -11.342 6.500 -10.495 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -9.643 6.510 -11.026 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -10.636 5.049 -11.247 1.00 10.00 H new ATOM 607 N GLU A 41 -7.720 1.202 -9.157 1.00 10.00 N ATOM 608 CA GLU A 41 -6.621 0.280 -8.911 1.00 10.00 C ATOM 609 C GLU A 41 -5.436 1.030 -8.299 1.00 10.00 C ATOM 610 O GLU A 41 -4.277 0.830 -8.652 1.00 10.00 O ATOM 611 CB GLU A 41 -6.326 -0.581 -10.153 1.00 10.00 C ATOM 612 CG GLU A 41 -6.130 0.169 -11.484 1.00 10.00 C ATOM 613 CD GLU A 41 -5.922 -0.763 -12.675 1.00 10.00 C ATOM 614 OE1 GLU A 41 -6.105 -1.988 -12.496 1.00 10.00 O ATOM 615 OE2 GLU A 41 -5.632 -0.222 -13.763 1.00 10.00 O ATOM 0 H GLU A 41 -8.604 0.851 -8.789 1.00 10.00 H new ATOM 0 HA GLU A 41 -6.897 -0.458 -8.158 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -5.427 -1.165 -9.956 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -7.145 -1.289 -10.279 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -7.001 0.798 -11.671 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -5.270 0.833 -11.396 1.00 10.00 H new ATOM 622 N THR A 42 -5.778 1.907 -7.349 1.00 10.00 N ATOM 623 CA THR A 42 -4.884 2.848 -6.699 1.00 10.00 C ATOM 624 C THR A 42 -5.102 2.790 -5.181 1.00 10.00 C ATOM 625 O THR A 42 -6.213 2.514 -4.719 1.00 10.00 O ATOM 626 CB THR A 42 -5.120 4.251 -7.277 1.00 10.00 C ATOM 627 OG1 THR A 42 -4.785 4.270 -8.653 1.00 10.00 O ATOM 628 CG2 THR A 42 -4.264 5.311 -6.588 1.00 10.00 C ATOM 0 H THR A 42 -6.735 1.976 -7.002 1.00 10.00 H new ATOM 0 HA THR A 42 -3.842 2.588 -6.888 1.00 10.00 H new ATOM 0 HB THR A 42 -6.174 4.479 -7.118 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.396 3.684 -9.147 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.466 6.286 -7.031 1.00 10.00 H new ATOM 0 HG22 THR A 42 -4.504 5.338 -5.525 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.209 5.066 -6.715 1.00 10.00 H new ATOM 636 N VAL A 43 -4.034 3.024 -4.411 1.00 10.00 N ATOM 637 CA VAL A 43 -4.059 3.202 -2.963 1.00 10.00 C ATOM 638 C VAL A 43 -3.325 4.496 -2.624 1.00 10.00 C ATOM 639 O VAL A 43 -2.179 4.671 -3.036 1.00 10.00 O ATOM 640 CB VAL A 43 -3.433 1.989 -2.242 1.00 10.00 C ATOM 641 CG1 VAL A 43 -2.019 1.632 -2.723 1.00 10.00 C ATOM 642 CG2 VAL A 43 -3.389 2.195 -0.721 1.00 10.00 C ATOM 0 H VAL A 43 -3.093 3.097 -4.799 1.00 10.00 H new ATOM 0 HA VAL A 43 -5.090 3.270 -2.617 1.00 10.00 H new ATOM 0 HB VAL A 43 -4.091 1.158 -2.496 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -1.652 0.770 -2.166 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -2.046 1.393 -3.786 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -1.354 2.480 -2.558 1.00 10.00 H new ATOM 0 HG21 VAL A 43 -2.942 1.321 -0.248 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -2.792 3.077 -0.490 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -4.402 2.334 -0.343 1.00 10.00 H new ATOM 652 N THR A 44 -3.973 5.378 -1.860 1.00 10.00 N ATOM 653 CA THR A 44 -3.349 6.549 -1.265 1.00 10.00 C ATOM 654 C THR A 44 -2.799 6.122 0.097 1.00 10.00 C ATOM 655 O THR A 44 -3.586 5.774 0.975 1.00 10.00 O ATOM 656 CB THR A 44 -4.390 7.670 -1.112 1.00 10.00 C ATOM 657 OG1 THR A 44 -5.268 7.702 -2.222 1.00 10.00 O ATOM 658 CG2 THR A 44 -3.716 9.033 -0.941 1.00 10.00 C ATOM 0 H THR A 44 -4.965 5.292 -1.637 1.00 10.00 H new ATOM 0 HA THR A 44 -2.544 6.932 -1.891 1.00 10.00 H new ATOM 0 HB THR A 44 -4.969 7.456 -0.214 1.00 10.00 H new ATOM 0 HG1 THR A 44 -4.926 8.331 -2.891 1.00 10.00 H new ATOM 0 HG21 THR A 44 -4.478 9.805 -0.835 1.00 10.00 H new ATOM 0 HG22 THR A 44 -3.088 9.019 -0.050 1.00 10.00 H new ATOM 0 HG23 THR A 44 -3.101 9.247 -1.815 1.00 10.00 H new ATOM 666 N VAL A 45 -1.479 6.110 0.285 1.00 10.00 N ATOM 667 CA VAL A 45 -0.853 5.783 1.557 1.00 10.00 C ATOM 668 C VAL A 45 -0.447 7.080 2.243 1.00 10.00 C ATOM 669 O VAL A 45 0.277 7.885 1.658 1.00 10.00 O ATOM 670 CB VAL A 45 0.346 4.855 1.328 1.00 10.00 C ATOM 671 CG1 VAL A 45 1.047 4.495 2.645 1.00 10.00 C ATOM 672 CG2 VAL A 45 -0.136 3.570 0.645 1.00 10.00 C ATOM 0 H VAL A 45 -0.811 6.330 -0.453 1.00 10.00 H new ATOM 0 HA VAL A 45 -1.551 5.251 2.204 1.00 10.00 H new ATOM 0 HB VAL A 45 1.064 5.380 0.697 1.00 10.00 H new ATOM 0 HG11 VAL A 45 1.891 3.836 2.440 1.00 10.00 H new ATOM 0 HG12 VAL A 45 1.405 5.405 3.127 1.00 10.00 H new ATOM 0 HG13 VAL A 45 0.343 3.988 3.305 1.00 10.00 H new ATOM 0 HG21 VAL A 45 0.712 2.906 0.479 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -0.868 3.072 1.281 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -0.596 3.817 -0.312 1.00 10.00 H new ATOM 682 N GLU A 46 -0.897 7.266 3.484 1.00 10.00 N ATOM 683 CA GLU A 46 -0.437 8.348 4.338 1.00 10.00 C ATOM 684 C GLU A 46 0.555 7.789 5.348 1.00 10.00 C ATOM 685 O GLU A 46 0.249 6.814 6.039 1.00 10.00 O ATOM 686 CB GLU A 46 -1.608 9.030 5.050 1.00 10.00 C ATOM 687 CG GLU A 46 -1.165 10.397 5.599 1.00 10.00 C ATOM 688 CD GLU A 46 -2.307 11.306 6.024 1.00 10.00 C ATOM 689 OE1 GLU A 46 -3.464 10.832 6.003 1.00 10.00 O ATOM 690 OE2 GLU A 46 -1.976 12.470 6.349 1.00 10.00 O ATOM 0 H GLU A 46 -1.594 6.664 3.922 1.00 10.00 H new ATOM 0 HA GLU A 46 0.051 9.105 3.724 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -2.440 9.159 4.358 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -1.966 8.400 5.865 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -0.509 10.235 6.454 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -0.576 10.907 4.837 1.00 10.00 H new ATOM 697 N TYR A 47 1.729 8.408 5.454 1.00 10.00 N ATOM 698 CA TYR A 47 2.751 8.034 6.420 1.00 10.00 C ATOM 699 C TYR A 47 3.608 9.256 6.706 1.00 10.00 C ATOM 700 O TYR A 47 3.324 10.326 6.178 1.00 10.00 O ATOM 701 CB TYR A 47 3.576 6.842 5.914 1.00 10.00 C ATOM 702 CG TYR A 47 4.479 7.081 4.722 1.00 10.00 C ATOM 703 CD1 TYR A 47 3.944 7.154 3.420 1.00 10.00 C ATOM 704 CD2 TYR A 47 5.874 7.073 4.901 1.00 10.00 C ATOM 705 CE1 TYR A 47 4.802 7.213 2.310 1.00 10.00 C ATOM 706 CE2 TYR A 47 6.726 7.200 3.795 1.00 10.00 C ATOM 707 CZ TYR A 47 6.192 7.259 2.500 1.00 10.00 C ATOM 708 OH TYR A 47 7.004 7.558 1.452 1.00 10.00 O ATOM 0 H TYR A 47 1.997 9.194 4.862 1.00 10.00 H new ATOM 0 HA TYR A 47 2.290 7.705 7.351 1.00 10.00 H new ATOM 0 HB2 TYR A 47 4.193 6.484 6.738 1.00 10.00 H new ATOM 0 HB3 TYR A 47 2.886 6.038 5.659 1.00 10.00 H new ATOM 0 HD1 TYR A 47 2.874 7.165 3.276 1.00 10.00 H new ATOM 0 HD2 TYR A 47 6.290 6.969 5.892 1.00 10.00 H new ATOM 0 HE1 TYR A 47 4.393 7.223 1.311 1.00 10.00 H new ATOM 0 HE2 TYR A 47 7.795 7.252 3.941 1.00 10.00 H new ATOM 0 HH TYR A 47 7.064 8.531 1.352 1.00 10.00 H new ATOM 718 N ASN A 48 4.634 9.116 7.546 1.00 10.00 N ATOM 719 CA ASN A 48 5.636 10.136 7.762 1.00 10.00 C ATOM 720 C ASN A 48 6.996 9.599 7.301 1.00 10.00 C ATOM 721 O ASN A 48 7.365 8.488 7.687 1.00 10.00 O ATOM 722 CB ASN A 48 5.648 10.535 9.235 1.00 10.00 C ATOM 723 CG ASN A 48 6.235 9.495 10.183 1.00 10.00 C ATOM 724 OD1 ASN A 48 7.422 9.535 10.487 1.00 10.00 O ATOM 725 ND2 ASN A 48 5.413 8.583 10.691 1.00 10.00 N ATOM 0 H ASN A 48 4.786 8.273 8.100 1.00 10.00 H new ATOM 0 HA ASN A 48 5.409 11.030 7.182 1.00 10.00 H new ATOM 0 HB2 ASN A 48 6.215 11.460 9.340 1.00 10.00 H new ATOM 0 HB3 ASN A 48 4.626 10.750 9.545 1.00 10.00 H new ATOM 0 HD21 ASN A 48 5.765 7.891 11.353 1.00 10.00 H new ATOM 0 HD22 ASN A 48 4.430 8.575 10.419 1.00 10.00 H new ATOM 732 N PRO A 49 7.756 10.347 6.487 1.00 10.00 N ATOM 733 CA PRO A 49 9.023 9.891 5.933 1.00 10.00 C ATOM 734 C PRO A 49 10.138 10.043 6.973 1.00 10.00 C ATOM 735 O PRO A 49 11.140 10.717 6.732 1.00 10.00 O ATOM 736 CB PRO A 49 9.243 10.783 4.706 1.00 10.00 C ATOM 737 CG PRO A 49 8.651 12.113 5.171 1.00 10.00 C ATOM 738 CD PRO A 49 7.423 11.662 5.961 1.00 10.00 C ATOM 0 HA PRO A 49 9.022 8.836 5.659 1.00 10.00 H new ATOM 0 HB2 PRO A 49 10.299 10.873 4.451 1.00 10.00 H new ATOM 0 HB3 PRO A 49 8.734 10.396 3.823 1.00 10.00 H new ATOM 0 HG2 PRO A 49 9.350 12.675 5.791 1.00 10.00 H new ATOM 0 HG3 PRO A 49 8.382 12.754 4.332 1.00 10.00 H new ATOM 0 HD2 PRO A 49 7.197 12.361 6.767 1.00 10.00 H new ATOM 0 HD3 PRO A 49 6.541 11.617 5.322 1.00 10.00 H new ATOM 746 N LYS A 50 9.963 9.435 8.149 1.00 10.00 N ATOM 747 CA LYS A 50 10.950 9.478 9.221 1.00 10.00 C ATOM 748 C LYS A 50 11.092 8.128 9.932 1.00 10.00 C ATOM 749 O LYS A 50 11.877 8.030 10.871 1.00 10.00 O ATOM 750 CB LYS A 50 10.592 10.616 10.195 1.00 10.00 C ATOM 751 CG LYS A 50 11.842 11.249 10.816 1.00 10.00 C ATOM 752 CD LYS A 50 12.546 12.170 9.802 1.00 10.00 C ATOM 753 CE LYS A 50 14.065 12.200 10.009 1.00 10.00 C ATOM 754 NZ LYS A 50 14.439 12.686 11.351 1.00 10.00 N ATOM 0 H LYS A 50 9.128 8.898 8.381 1.00 10.00 H new ATOM 0 HA LYS A 50 11.929 9.684 8.788 1.00 10.00 H new ATOM 0 HB2 LYS A 50 10.022 11.380 9.667 1.00 10.00 H new ATOM 0 HB3 LYS A 50 9.950 10.229 10.986 1.00 10.00 H new ATOM 0 HG2 LYS A 50 11.565 11.820 11.702 1.00 10.00 H new ATOM 0 HG3 LYS A 50 12.528 10.467 11.142 1.00 10.00 H new ATOM 0 HD2 LYS A 50 12.325 11.831 8.790 1.00 10.00 H new ATOM 0 HD3 LYS A 50 12.148 13.181 9.893 1.00 10.00 H new ATOM 0 HE2 LYS A 50 14.469 11.198 9.862 1.00 10.00 H new ATOM 0 HE3 LYS A 50 14.520 12.841 9.253 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 15.475 12.721 11.431 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 14.049 13.639 11.496 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 14.057 12.042 12.072 1.00 10.00 H new ATOM 768 N GLU A 51 10.364 7.108 9.470 1.00 10.00 N ATOM 769 CA GLU A 51 10.324 5.774 10.049 1.00 10.00 C ATOM 770 C GLU A 51 10.374 4.761 8.904 1.00 10.00 C ATOM 771 O GLU A 51 11.313 3.976 8.801 1.00 10.00 O ATOM 772 CB GLU A 51 9.031 5.630 10.866 1.00 10.00 C ATOM 773 CG GLU A 51 9.106 6.316 12.239 1.00 10.00 C ATOM 774 CD GLU A 51 9.961 5.537 13.230 1.00 10.00 C ATOM 775 OE1 GLU A 51 9.658 4.339 13.408 1.00 10.00 O ATOM 776 OE2 GLU A 51 10.884 6.154 13.805 1.00 10.00 O ATOM 0 H GLU A 51 9.765 7.199 8.650 1.00 10.00 H new ATOM 0 HA GLU A 51 11.170 5.600 10.714 1.00 10.00 H new ATOM 0 HB2 GLU A 51 8.201 6.053 10.300 1.00 10.00 H new ATOM 0 HB3 GLU A 51 8.813 4.571 11.007 1.00 10.00 H new ATOM 0 HG2 GLU A 51 9.516 7.319 12.119 1.00 10.00 H new ATOM 0 HG3 GLU A 51 8.099 6.429 12.642 1.00 10.00 H new ATOM 783 N ALA A 52 9.365 4.807 8.027 1.00 10.00 N ATOM 784 CA ALA A 52 9.245 3.956 6.855 1.00 10.00 C ATOM 785 C ALA A 52 9.526 4.769 5.592 1.00 10.00 C ATOM 786 O ALA A 52 9.703 5.987 5.651 1.00 10.00 O ATOM 787 CB ALA A 52 7.825 3.387 6.822 1.00 10.00 C ATOM 0 H ALA A 52 8.588 5.461 8.123 1.00 10.00 H new ATOM 0 HA ALA A 52 9.968 3.141 6.901 1.00 10.00 H new ATOM 0 HB1 ALA A 52 7.711 2.744 5.949 1.00 10.00 H new ATOM 0 HB2 ALA A 52 7.645 2.806 7.727 1.00 10.00 H new ATOM 0 HB3 ALA A 52 7.107 4.205 6.766 1.00 10.00 H new ATOM 793 N SER A 53 9.522 4.091 4.446 1.00 10.00 N ATOM 794 CA SER A 53 9.560 4.702 3.133 1.00 10.00 C ATOM 795 C SER A 53 8.753 3.841 2.168 1.00 10.00 C ATOM 796 O SER A 53 8.337 2.726 2.490 1.00 10.00 O ATOM 797 CB SER A 53 11.002 4.927 2.663 1.00 10.00 C ATOM 798 OG SER A 53 11.041 5.466 1.350 1.00 10.00 O ATOM 0 H SER A 53 9.491 3.072 4.412 1.00 10.00 H new ATOM 0 HA SER A 53 9.106 5.692 3.172 1.00 10.00 H new ATOM 0 HB2 SER A 53 11.509 5.604 3.351 1.00 10.00 H new ATOM 0 HB3 SER A 53 11.545 3.982 2.686 1.00 10.00 H new ATOM 0 HG SER A 53 11.973 5.600 1.079 1.00 10.00 H new ATOM 804 N VAL A 54 8.526 4.409 0.987 1.00 10.00 N ATOM 805 CA VAL A 54 7.726 3.831 -0.073 1.00 10.00 C ATOM 806 C VAL A 54 8.298 2.471 -0.480 1.00 10.00 C ATOM 807 O VAL A 54 7.562 1.495 -0.569 1.00 10.00 O ATOM 808 CB VAL A 54 7.566 4.847 -1.219 1.00 10.00 C ATOM 809 CG1 VAL A 54 8.887 5.351 -1.819 1.00 10.00 C ATOM 810 CG2 VAL A 54 6.695 4.274 -2.340 1.00 10.00 C ATOM 0 H VAL A 54 8.912 5.320 0.739 1.00 10.00 H new ATOM 0 HA VAL A 54 6.713 3.621 0.270 1.00 10.00 H new ATOM 0 HB VAL A 54 7.084 5.708 -0.757 1.00 10.00 H new ATOM 0 HG11 VAL A 54 8.676 6.061 -2.618 1.00 10.00 H new ATOM 0 HG12 VAL A 54 9.475 5.841 -1.043 1.00 10.00 H new ATOM 0 HG13 VAL A 54 9.449 4.508 -2.222 1.00 10.00 H new ATOM 0 HG21 VAL A 54 6.597 5.011 -3.137 1.00 10.00 H new ATOM 0 HG22 VAL A 54 7.159 3.370 -2.736 1.00 10.00 H new ATOM 0 HG23 VAL A 54 5.708 4.032 -1.946 1.00 10.00 H new ATOM 820 N SER A 55 9.611 2.383 -0.686 1.00 10.00 N ATOM 821 CA SER A 55 10.300 1.151 -1.049 1.00 10.00 C ATOM 822 C SER A 55 10.034 0.017 -0.050 1.00 10.00 C ATOM 823 O SER A 55 9.808 -1.132 -0.430 1.00 10.00 O ATOM 824 CB SER A 55 11.796 1.461 -1.125 1.00 10.00 C ATOM 825 OG SER A 55 11.981 2.643 -1.885 1.00 10.00 O ATOM 0 H SER A 55 10.236 3.184 -0.603 1.00 10.00 H new ATOM 0 HA SER A 55 9.925 0.802 -2.011 1.00 10.00 H new ATOM 0 HB2 SER A 55 12.206 1.589 -0.123 1.00 10.00 H new ATOM 0 HB3 SER A 55 12.331 0.630 -1.585 1.00 10.00 H new ATOM 0 HG SER A 55 12.937 2.851 -1.938 1.00 10.00 H new ATOM 831 N ASP A 56 10.093 0.338 1.239 1.00 10.00 N ATOM 832 CA ASP A 56 10.065 -0.618 2.328 1.00 10.00 C ATOM 833 C ASP A 56 8.695 -1.275 2.309 1.00 10.00 C ATOM 834 O ASP A 56 8.548 -2.495 2.229 1.00 10.00 O ATOM 835 CB ASP A 56 10.300 0.119 3.662 1.00 10.00 C ATOM 836 CG ASP A 56 11.532 1.020 3.685 1.00 10.00 C ATOM 837 OD1 ASP A 56 11.779 1.688 2.654 1.00 10.00 O ATOM 838 OD2 ASP A 56 12.173 1.072 4.752 1.00 10.00 O ATOM 0 H ASP A 56 10.164 1.304 1.559 1.00 10.00 H new ATOM 0 HA ASP A 56 10.845 -1.372 2.220 1.00 10.00 H new ATOM 0 HB2 ASP A 56 9.421 0.723 3.888 1.00 10.00 H new ATOM 0 HB3 ASP A 56 10.392 -0.620 4.458 1.00 10.00 H new ATOM 843 N LEU A 57 7.672 -0.423 2.334 1.00 10.00 N ATOM 844 CA LEU A 57 6.303 -0.879 2.277 1.00 10.00 C ATOM 845 C LEU A 57 6.033 -1.571 0.935 1.00 10.00 C ATOM 846 O LEU A 57 5.315 -2.568 0.894 1.00 10.00 O ATOM 847 CB LEU A 57 5.361 0.261 2.691 1.00 10.00 C ATOM 848 CG LEU A 57 5.242 1.459 1.740 1.00 10.00 C ATOM 849 CD1 LEU A 57 4.339 1.194 0.533 1.00 10.00 C ATOM 850 CD2 LEU A 57 4.681 2.679 2.482 1.00 10.00 C ATOM 0 H LEU A 57 7.776 0.590 2.394 1.00 10.00 H new ATOM 0 HA LEU A 57 6.098 -1.662 3.007 1.00 10.00 H new ATOM 0 HB2 LEU A 57 4.365 -0.159 2.830 1.00 10.00 H new ATOM 0 HB3 LEU A 57 5.689 0.633 3.662 1.00 10.00 H new ATOM 0 HG LEU A 57 6.253 1.642 1.377 1.00 10.00 H new ATOM 0 HD11 LEU A 57 4.301 2.084 -0.096 1.00 10.00 H new ATOM 0 HD12 LEU A 57 4.738 0.359 -0.043 1.00 10.00 H new ATOM 0 HD13 LEU A 57 3.334 0.950 0.877 1.00 10.00 H new ATOM 0 HD21 LEU A 57 4.603 3.520 1.793 1.00 10.00 H new ATOM 0 HD22 LEU A 57 3.694 2.442 2.878 1.00 10.00 H new ATOM 0 HD23 LEU A 57 5.347 2.943 3.303 1.00 10.00 H new ATOM 862 N LYS A 58 6.644 -1.103 -0.162 1.00 10.00 N ATOM 863 CA LYS A 58 6.548 -1.764 -1.458 1.00 10.00 C ATOM 864 C LYS A 58 6.927 -3.233 -1.299 1.00 10.00 C ATOM 865 O LYS A 58 6.159 -4.094 -1.720 1.00 10.00 O ATOM 866 CB LYS A 58 7.433 -1.062 -2.505 1.00 10.00 C ATOM 867 CG LYS A 58 7.077 -1.331 -3.971 1.00 10.00 C ATOM 868 CD LYS A 58 7.233 -2.820 -4.288 1.00 10.00 C ATOM 869 CE LYS A 58 7.690 -3.100 -5.726 1.00 10.00 C ATOM 870 NZ LYS A 58 8.163 -4.491 -5.888 1.00 10.00 N ATOM 0 H LYS A 58 7.215 -0.258 -0.170 1.00 10.00 H new ATOM 0 HA LYS A 58 5.522 -1.702 -1.820 1.00 10.00 H new ATOM 0 HB2 LYS A 58 7.385 0.013 -2.331 1.00 10.00 H new ATOM 0 HB3 LYS A 58 8.467 -1.366 -2.341 1.00 10.00 H new ATOM 0 HG2 LYS A 58 6.052 -1.015 -4.168 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.723 -0.743 -4.623 1.00 10.00 H new ATOM 0 HD2 LYS A 58 7.953 -3.256 -3.596 1.00 10.00 H new ATOM 0 HD3 LYS A 58 6.281 -3.321 -4.115 1.00 10.00 H new ATOM 0 HE2 LYS A 58 6.864 -2.914 -6.413 1.00 10.00 H new ATOM 0 HE3 LYS A 58 8.490 -2.410 -5.995 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 8.603 -4.601 -6.824 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 8.861 -4.708 -5.149 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 7.357 -5.143 -5.806 1.00 10.00 H new ATOM 884 N GLU A 59 8.098 -3.527 -0.719 1.00 10.00 N ATOM 885 CA GLU A 59 8.521 -4.908 -0.495 1.00 10.00 C ATOM 886 C GLU A 59 7.408 -5.669 0.209 1.00 10.00 C ATOM 887 O GLU A 59 6.993 -6.722 -0.253 1.00 10.00 O ATOM 888 CB GLU A 59 9.822 -4.963 0.317 1.00 10.00 C ATOM 889 CG GLU A 59 10.441 -6.372 0.379 1.00 10.00 C ATOM 890 CD GLU A 59 9.850 -7.336 1.418 1.00 10.00 C ATOM 891 OE1 GLU A 59 9.105 -6.887 2.310 1.00 10.00 O ATOM 892 OE2 GLU A 59 10.173 -8.542 1.337 1.00 10.00 O ATOM 0 H GLU A 59 8.765 -2.826 -0.398 1.00 10.00 H new ATOM 0 HA GLU A 59 8.720 -5.377 -1.458 1.00 10.00 H new ATOM 0 HB2 GLU A 59 10.545 -4.275 -0.121 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.625 -4.615 1.331 1.00 10.00 H new ATOM 0 HG2 GLU A 59 10.344 -6.830 -0.605 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.507 -6.267 0.579 1.00 10.00 H new ATOM 899 N ALA A 60 6.891 -5.094 1.289 1.00 10.00 N ATOM 900 CA ALA A 60 5.888 -5.702 2.143 1.00 10.00 C ATOM 901 C ALA A 60 4.601 -6.017 1.373 1.00 10.00 C ATOM 902 O ALA A 60 3.937 -7.015 1.664 1.00 10.00 O ATOM 903 CB ALA A 60 5.631 -4.778 3.333 1.00 10.00 C ATOM 0 H ALA A 60 7.170 -4.163 1.600 1.00 10.00 H new ATOM 0 HA ALA A 60 6.259 -6.660 2.509 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.878 -5.223 3.984 1.00 10.00 H new ATOM 0 HB2 ALA A 60 6.557 -4.638 3.892 1.00 10.00 H new ATOM 0 HB3 ALA A 60 5.275 -3.813 2.974 1.00 10.00 H new ATOM 909 N VAL A 61 4.251 -5.176 0.394 1.00 10.00 N ATOM 910 CA VAL A 61 3.131 -5.418 -0.503 1.00 10.00 C ATOM 911 C VAL A 61 3.493 -6.518 -1.504 1.00 10.00 C ATOM 912 O VAL A 61 2.724 -7.457 -1.696 1.00 10.00 O ATOM 913 CB VAL A 61 2.712 -4.107 -1.187 1.00 10.00 C ATOM 914 CG1 VAL A 61 1.602 -4.372 -2.211 1.00 10.00 C ATOM 915 CG2 VAL A 61 2.210 -3.113 -0.131 1.00 10.00 C ATOM 0 H VAL A 61 4.745 -4.304 0.206 1.00 10.00 H new ATOM 0 HA VAL A 61 2.270 -5.771 0.064 1.00 10.00 H new ATOM 0 HB VAL A 61 3.576 -3.688 -1.703 1.00 10.00 H new ATOM 0 HG11 VAL A 61 1.315 -3.435 -2.688 1.00 10.00 H new ATOM 0 HG12 VAL A 61 1.964 -5.068 -2.968 1.00 10.00 H new ATOM 0 HG13 VAL A 61 0.737 -4.802 -1.707 1.00 10.00 H new ATOM 0 HG21 VAL A 61 1.913 -2.184 -0.618 1.00 10.00 H new ATOM 0 HG22 VAL A 61 1.353 -3.539 0.391 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.006 -2.909 0.585 1.00 10.00 H new ATOM 925 N ASP A 62 4.678 -6.436 -2.112 1.00 10.00 N ATOM 926 CA ASP A 62 5.200 -7.472 -2.996 1.00 10.00 C ATOM 927 C ASP A 62 5.139 -8.833 -2.280 1.00 10.00 C ATOM 928 O ASP A 62 4.724 -9.837 -2.853 1.00 10.00 O ATOM 929 CB ASP A 62 6.620 -7.087 -3.454 1.00 10.00 C ATOM 930 CG ASP A 62 6.916 -7.594 -4.852 1.00 10.00 C ATOM 931 OD1 ASP A 62 7.102 -8.815 -5.032 1.00 10.00 O ATOM 932 OD2 ASP A 62 6.927 -6.763 -5.796 1.00 10.00 O ATOM 0 H ASP A 62 5.306 -5.640 -2.001 1.00 10.00 H new ATOM 0 HA ASP A 62 4.591 -7.560 -3.896 1.00 10.00 H new ATOM 0 HB2 ASP A 62 6.729 -6.003 -3.430 1.00 10.00 H new ATOM 0 HB3 ASP A 62 7.351 -7.496 -2.756 1.00 10.00 H new ATOM 937 N LYS A 63 5.424 -8.823 -0.971 1.00 10.00 N ATOM 938 CA LYS A 63 5.365 -9.949 -0.036 1.00 10.00 C ATOM 939 C LYS A 63 3.943 -10.440 0.273 1.00 10.00 C ATOM 940 O LYS A 63 3.742 -11.194 1.232 1.00 10.00 O ATOM 941 CB LYS A 63 6.029 -9.512 1.273 1.00 10.00 C ATOM 942 CG LYS A 63 6.840 -10.617 1.948 1.00 10.00 C ATOM 943 CD LYS A 63 7.406 -10.041 3.254 1.00 10.00 C ATOM 944 CE LYS A 63 8.646 -10.793 3.745 1.00 10.00 C ATOM 945 NZ LYS A 63 9.789 -10.604 2.826 1.00 10.00 N ATOM 0 H LYS A 63 5.723 -7.965 -0.507 1.00 10.00 H new ATOM 0 HA LYS A 63 5.879 -10.784 -0.511 1.00 10.00 H new ATOM 0 HB2 LYS A 63 6.683 -8.664 1.073 1.00 10.00 H new ATOM 0 HB3 LYS A 63 5.259 -9.165 1.963 1.00 10.00 H new ATOM 0 HG2 LYS A 63 6.212 -11.484 2.152 1.00 10.00 H new ATOM 0 HG3 LYS A 63 7.646 -10.954 1.296 1.00 10.00 H new ATOM 0 HD2 LYS A 63 7.659 -8.991 3.103 1.00 10.00 H new ATOM 0 HD3 LYS A 63 6.636 -10.076 4.025 1.00 10.00 H new ATOM 0 HE2 LYS A 63 8.916 -10.442 4.741 1.00 10.00 H new ATOM 0 HE3 LYS A 63 8.419 -11.855 3.832 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 10.675 -10.604 3.370 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 9.809 -11.379 2.133 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 9.688 -9.696 2.328 1.00 10.00 H new ATOM 959 N LEU A 64 2.947 -9.962 -0.465 1.00 10.00 N ATOM 960 CA LEU A 64 1.603 -10.527 -0.523 1.00 10.00 C ATOM 961 C LEU A 64 1.352 -11.209 -1.873 1.00 10.00 C ATOM 962 O LEU A 64 0.453 -12.041 -1.964 1.00 10.00 O ATOM 963 CB LEU A 64 0.563 -9.433 -0.265 1.00 10.00 C ATOM 964 CG LEU A 64 0.625 -8.879 1.167 1.00 10.00 C ATOM 965 CD1 LEU A 64 -0.016 -7.488 1.221 1.00 10.00 C ATOM 966 CD2 LEU A 64 -0.091 -9.845 2.125 1.00 10.00 C ATOM 0 H LEU A 64 3.057 -9.141 -1.061 1.00 10.00 H new ATOM 0 HA LEU A 64 1.513 -11.286 0.254 1.00 10.00 H new ATOM 0 HB2 LEU A 64 0.717 -8.618 -0.972 1.00 10.00 H new ATOM 0 HB3 LEU A 64 -0.433 -9.834 -0.452 1.00 10.00 H new ATOM 0 HG LEU A 64 1.667 -8.787 1.475 1.00 10.00 H new ATOM 0 HD11 LEU A 64 0.033 -7.104 2.240 1.00 10.00 H new ATOM 0 HD12 LEU A 64 0.520 -6.814 0.553 1.00 10.00 H new ATOM 0 HD13 LEU A 64 -1.058 -7.555 0.908 1.00 10.00 H new ATOM 0 HD21 LEU A 64 -0.046 -9.451 3.140 1.00 10.00 H new ATOM 0 HD22 LEU A 64 -1.133 -9.951 1.823 1.00 10.00 H new ATOM 0 HD23 LEU A 64 0.398 -10.819 2.092 1.00 10.00 H new ATOM 978 N GLY A 65 2.133 -10.887 -2.912 1.00 10.00 N ATOM 979 CA GLY A 65 2.092 -11.554 -4.206 1.00 10.00 C ATOM 980 C GLY A 65 1.833 -10.553 -5.326 1.00 10.00 C ATOM 981 O GLY A 65 2.563 -10.513 -6.313 1.00 10.00 O ATOM 0 H GLY A 65 2.824 -10.138 -2.869 1.00 10.00 H new ATOM 0 HA2 GLY A 65 3.036 -12.069 -4.384 1.00 10.00 H new ATOM 0 HA3 GLY A 65 1.310 -12.313 -4.204 1.00 10.00 H new ATOM 985 N TYR A 66 0.778 -9.749 -5.179 1.00 10.00 N ATOM 986 CA TYR A 66 0.460 -8.690 -6.131 1.00 10.00 C ATOM 987 C TYR A 66 1.552 -7.617 -6.135 1.00 10.00 C ATOM 988 O TYR A 66 2.336 -7.512 -5.192 1.00 10.00 O ATOM 989 CB TYR A 66 -0.934 -8.111 -5.859 1.00 10.00 C ATOM 990 CG TYR A 66 -1.393 -8.140 -4.423 1.00 10.00 C ATOM 991 CD1 TYR A 66 -0.855 -7.232 -3.498 1.00 10.00 C ATOM 992 CD2 TYR A 66 -2.307 -9.124 -3.999 1.00 10.00 C ATOM 993 CE1 TYR A 66 -1.284 -7.268 -2.164 1.00 10.00 C ATOM 994 CE2 TYR A 66 -2.712 -9.169 -2.659 1.00 10.00 C ATOM 995 CZ TYR A 66 -2.252 -8.202 -1.759 1.00 10.00 C ATOM 996 OH TYR A 66 -2.715 -8.208 -0.483 1.00 10.00 O ATOM 0 H TYR A 66 0.124 -9.815 -4.399 1.00 10.00 H new ATOM 0 HA TYR A 66 0.433 -9.117 -7.133 1.00 10.00 H new ATOM 0 HB2 TYR A 66 -0.950 -7.077 -6.204 1.00 10.00 H new ATOM 0 HB3 TYR A 66 -1.658 -8.659 -6.462 1.00 10.00 H new ATOM 0 HD1 TYR A 66 -0.115 -6.510 -3.812 1.00 10.00 H new ATOM 0 HD2 TYR A 66 -2.695 -9.843 -4.706 1.00 10.00 H new ATOM 0 HE1 TYR A 66 -0.869 -6.576 -1.446 1.00 10.00 H new ATOM 0 HE2 TYR A 66 -3.378 -9.949 -2.321 1.00 10.00 H new ATOM 0 HH TYR A 66 -3.594 -7.776 -0.452 1.00 10.00 H new ATOM 1006 N LYS A 67 1.622 -6.843 -7.219 1.00 10.00 N ATOM 1007 CA LYS A 67 2.659 -5.839 -7.426 1.00 10.00 C ATOM 1008 C LYS A 67 2.102 -4.454 -7.093 1.00 10.00 C ATOM 1009 O LYS A 67 0.887 -4.263 -7.009 1.00 10.00 O ATOM 1010 CB LYS A 67 3.206 -5.909 -8.863 1.00 10.00 C ATOM 1011 CG LYS A 67 4.467 -6.768 -9.020 1.00 10.00 C ATOM 1012 CD LYS A 67 4.221 -8.271 -8.799 1.00 10.00 C ATOM 1013 CE LYS A 67 4.847 -8.833 -7.515 1.00 10.00 C ATOM 1014 NZ LYS A 67 6.313 -8.684 -7.462 1.00 10.00 N ATOM 0 H LYS A 67 0.951 -6.899 -7.985 1.00 10.00 H new ATOM 0 HA LYS A 67 3.497 -6.039 -6.758 1.00 10.00 H new ATOM 0 HB2 LYS A 67 2.428 -6.305 -9.516 1.00 10.00 H new ATOM 0 HB3 LYS A 67 3.425 -4.898 -9.205 1.00 10.00 H new ATOM 0 HG2 LYS A 67 4.876 -6.619 -10.019 1.00 10.00 H new ATOM 0 HG3 LYS A 67 5.221 -6.424 -8.312 1.00 10.00 H new ATOM 0 HD2 LYS A 67 3.146 -8.451 -8.774 1.00 10.00 H new ATOM 0 HD3 LYS A 67 4.617 -8.821 -9.653 1.00 10.00 H new ATOM 0 HE2 LYS A 67 4.407 -8.329 -6.655 1.00 10.00 H new ATOM 0 HE3 LYS A 67 4.594 -9.890 -7.429 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 6.695 -9.282 -6.702 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 6.725 -8.975 -8.372 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 6.554 -7.690 -7.275 1.00 10.00 H new ATOM 1028 N LEU A 68 3.008 -3.496 -6.880 1.00 10.00 N ATOM 1029 CA LEU A 68 2.695 -2.126 -6.537 1.00 10.00 C ATOM 1030 C LEU A 68 3.803 -1.252 -7.111 1.00 10.00 C ATOM 1031 O LEU A 68 4.942 -1.706 -7.233 1.00 10.00 O ATOM 1032 CB LEU A 68 2.604 -1.984 -5.013 1.00 10.00 C ATOM 1033 CG LEU A 68 2.178 -0.588 -4.535 1.00 10.00 C ATOM 1034 CD1 LEU A 68 1.109 -0.693 -3.444 1.00 10.00 C ATOM 1035 CD2 LEU A 68 3.392 0.178 -3.993 1.00 10.00 C ATOM 0 H LEU A 68 4.011 -3.669 -6.946 1.00 10.00 H new ATOM 0 HA LEU A 68 1.734 -1.821 -6.950 1.00 10.00 H new ATOM 0 HB2 LEU A 68 1.894 -2.718 -4.633 1.00 10.00 H new ATOM 0 HB3 LEU A 68 3.574 -2.224 -4.578 1.00 10.00 H new ATOM 0 HG LEU A 68 1.761 -0.049 -5.385 1.00 10.00 H new ATOM 0 HD11 LEU A 68 0.821 0.307 -3.119 1.00 10.00 H new ATOM 0 HD12 LEU A 68 0.236 -1.212 -3.839 1.00 10.00 H new ATOM 0 HD13 LEU A 68 1.508 -1.249 -2.596 1.00 10.00 H new ATOM 0 HD21 LEU A 68 3.078 1.166 -3.657 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.824 -0.370 -3.155 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.138 0.283 -4.781 1.00 10.00 H new ATOM 1047 N LYS A 69 3.472 -0.011 -7.453 1.00 10.00 N ATOM 1048 CA LYS A 69 4.367 0.984 -8.025 1.00 10.00 C ATOM 1049 C LYS A 69 3.829 2.371 -7.680 1.00 10.00 C ATOM 1050 O LYS A 69 2.660 2.501 -7.333 1.00 10.00 O ATOM 1051 CB LYS A 69 4.447 0.832 -9.551 1.00 10.00 C ATOM 1052 CG LYS A 69 5.168 -0.454 -9.976 1.00 10.00 C ATOM 1053 CD LYS A 69 5.549 -0.503 -11.464 1.00 10.00 C ATOM 1054 CE LYS A 69 6.856 0.224 -11.831 1.00 10.00 C ATOM 1055 NZ LYS A 69 6.741 1.697 -11.804 1.00 10.00 N ATOM 0 H LYS A 69 2.524 0.344 -7.332 1.00 10.00 H new ATOM 0 HA LYS A 69 5.368 0.847 -7.615 1.00 10.00 H new ATOM 0 HB2 LYS A 69 3.439 0.834 -9.966 1.00 10.00 H new ATOM 0 HB3 LYS A 69 4.967 1.692 -9.972 1.00 10.00 H new ATOM 0 HG2 LYS A 69 6.072 -0.564 -9.378 1.00 10.00 H new ATOM 0 HG3 LYS A 69 4.529 -1.307 -9.748 1.00 10.00 H new ATOM 0 HD2 LYS A 69 5.636 -1.547 -11.766 1.00 10.00 H new ATOM 0 HD3 LYS A 69 4.735 -0.069 -12.045 1.00 10.00 H new ATOM 0 HE2 LYS A 69 7.640 -0.084 -11.139 1.00 10.00 H new ATOM 0 HE3 LYS A 69 7.169 -0.090 -12.827 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 7.433 2.111 -12.461 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 5.781 1.976 -12.091 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 6.928 2.042 -10.841 1.00 10.00 H new ATOM 1069 N LEU A 70 4.675 3.397 -7.786 1.00 10.00 N ATOM 1070 CA LEU A 70 4.288 4.781 -7.538 1.00 10.00 C ATOM 1071 C LEU A 70 3.217 5.251 -8.515 1.00 10.00 C ATOM 1072 O LEU A 70 3.192 4.825 -9.669 1.00 10.00 O ATOM 1073 CB LEU A 70 5.530 5.690 -7.519 1.00 10.00 C ATOM 1074 CG LEU A 70 5.306 7.212 -7.660 1.00 10.00 C ATOM 1075 CD1 LEU A 70 6.466 7.959 -6.991 1.00 10.00 C ATOM 1076 CD2 LEU A 70 5.252 7.667 -9.128 1.00 10.00 C ATOM 0 H LEU A 70 5.654 3.287 -8.048 1.00 10.00 H new ATOM 0 HA LEU A 70 3.831 4.843 -6.550 1.00 10.00 H new ATOM 0 HB2 LEU A 70 6.061 5.514 -6.583 1.00 10.00 H new ATOM 0 HB3 LEU A 70 6.191 5.372 -8.325 1.00 10.00 H new ATOM 0 HG LEU A 70 4.349 7.435 -7.188 1.00 10.00 H new ATOM 0 HD11 LEU A 70 6.311 9.034 -7.089 1.00 10.00 H new ATOM 0 HD12 LEU A 70 6.509 7.693 -5.935 1.00 10.00 H new ATOM 0 HD13 LEU A 70 7.403 7.682 -7.473 1.00 10.00 H new ATOM 0 HD21 LEU A 70 5.093 8.745 -9.169 1.00 10.00 H new ATOM 0 HD22 LEU A 70 6.193 7.420 -9.620 1.00 10.00 H new ATOM 0 HD23 LEU A 70 4.432 7.159 -9.636 1.00 10.00 H new ATOM 1088 N LYS A 71 2.360 6.154 -8.029 1.00 10.00 N ATOM 1089 CA LYS A 71 1.371 6.880 -8.805 1.00 10.00 C ATOM 1090 C LYS A 71 1.587 8.383 -8.695 1.00 10.00 C ATOM 1091 O LYS A 71 1.704 9.064 -9.712 1.00 10.00 O ATOM 1092 CB LYS A 71 -0.062 6.467 -8.426 1.00 10.00 C ATOM 1093 CG LYS A 71 -0.969 6.437 -9.663 1.00 10.00 C ATOM 1094 CD LYS A 71 -0.654 5.170 -10.473 1.00 10.00 C ATOM 1095 CE LYS A 71 -0.981 5.278 -11.969 1.00 10.00 C ATOM 1096 NZ LYS A 71 -2.298 4.695 -12.286 1.00 10.00 N ATOM 0 H LYS A 71 2.342 6.404 -7.040 1.00 10.00 H new ATOM 0 HA LYS A 71 1.504 6.611 -9.853 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.049 5.484 -7.956 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -0.464 7.166 -7.692 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.017 6.443 -9.364 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -0.806 7.326 -10.273 1.00 10.00 H new ATOM 0 HD2 LYS A 71 0.404 4.935 -10.361 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -1.213 4.335 -10.050 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -0.966 6.326 -12.270 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -0.210 4.769 -12.547 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -2.535 4.892 -13.279 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -2.268 3.667 -12.134 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -3.021 5.115 -11.668 1.00 10.00 H new