USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 611 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -176:sc= 0 (180deg=-0.00906) USER MOD Single : A 2 LYS NZ :NH3+ 151:sc= 0 (180deg=-0.844) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -0.128 X(o=-0.13,f=-0.14) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 83:sc= 0.932 USER MOD Single : A 31 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00937) USER MOD Single : A 33 CYS SG : rot 46:sc= 0.525 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.031) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot -170:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0116 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 152:sc= 0.335 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc=-0.00312 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.548 5.500 13.756 1.00 0.00 N ATOM 2 CA MET A 1 -5.122 5.864 12.379 1.00 0.00 C ATOM 3 C MET A 1 -5.846 4.989 11.359 1.00 0.00 C ATOM 4 O MET A 1 -5.830 3.747 11.448 1.00 0.00 O ATOM 5 CB MET A 1 -3.599 5.746 12.166 1.00 0.00 C ATOM 6 CG MET A 1 -2.789 6.774 12.960 1.00 0.00 C ATOM 7 SD MET A 1 -0.997 6.578 12.751 1.00 0.00 S ATOM 8 CE MET A 1 -0.414 7.909 13.835 1.00 0.00 C ATOM 0 H1 MET A 1 -5.102 6.145 14.439 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.582 5.577 13.831 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.258 4.523 13.962 1.00 0.00 H new ATOM 0 HA MET A 1 -5.387 6.912 12.238 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.277 4.744 12.450 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.379 5.863 11.105 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.078 7.777 12.647 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.038 6.686 14.018 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.676 7.934 13.827 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.801 8.864 13.480 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.765 7.731 14.851 1.00 0.00 H new ATOM 17 N LYS A 2 -6.497 5.603 10.368 1.00 0.00 N ATOM 18 CA LYS A 2 -7.086 4.933 9.196 1.00 0.00 C ATOM 19 C LYS A 2 -6.372 5.337 7.904 1.00 0.00 C ATOM 20 O LYS A 2 -5.898 6.467 7.771 1.00 0.00 O ATOM 21 CB LYS A 2 -8.595 5.223 9.102 1.00 0.00 C ATOM 22 CG LYS A 2 -9.398 4.459 10.168 1.00 0.00 C ATOM 23 CD LYS A 2 -10.924 4.614 10.051 1.00 0.00 C ATOM 24 CE LYS A 2 -11.486 5.933 10.609 1.00 0.00 C ATOM 25 NZ LYS A 2 -11.337 7.079 9.673 1.00 0.00 N ATOM 0 H LYS A 2 -6.636 6.613 10.355 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.951 3.859 9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.766 6.293 9.218 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.956 4.948 8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.147 3.400 10.104 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.085 4.801 11.155 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.203 4.533 9.001 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.400 3.784 10.573 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -12.542 5.799 10.844 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -10.979 6.169 11.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -12.104 7.762 9.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -10.420 7.543 9.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.382 6.735 8.693 1.00 0.00 H new ATOM 39 N ILE A 3 -6.336 4.415 6.947 1.00 0.00 N ATOM 40 CA ILE A 3 -5.838 4.613 5.580 1.00 0.00 C ATOM 41 C ILE A 3 -6.881 4.134 4.567 1.00 0.00 C ATOM 42 O ILE A 3 -7.717 3.284 4.880 1.00 0.00 O ATOM 43 CB ILE A 3 -4.443 3.970 5.370 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.398 2.427 5.503 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.430 4.597 6.344 1.00 0.00 C ATOM 46 CD1 ILE A 3 -4.749 1.662 4.218 1.00 0.00 C ATOM 0 H ILE A 3 -6.667 3.463 7.106 1.00 0.00 H new ATOM 0 HA ILE A 3 -5.689 5.680 5.414 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.185 4.181 4.332 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.399 2.132 5.824 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.088 2.123 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.451 4.142 6.193 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.364 5.669 6.160 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -3.756 4.424 7.370 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -4.691 0.590 4.406 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -5.760 1.922 3.905 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.045 1.931 3.431 1.00 0.00 H new ATOM 58 N LYS A 4 -6.835 4.678 3.348 1.00 0.00 N ATOM 59 CA LYS A 4 -7.764 4.366 2.254 1.00 0.00 C ATOM 60 C LYS A 4 -7.002 3.776 1.065 1.00 0.00 C ATOM 61 O LYS A 4 -6.436 4.509 0.254 1.00 0.00 O ATOM 62 CB LYS A 4 -8.583 5.629 1.928 1.00 0.00 C ATOM 63 CG LYS A 4 -9.966 5.281 1.361 1.00 0.00 C ATOM 64 CD LYS A 4 -10.766 6.561 1.065 1.00 0.00 C ATOM 65 CE LYS A 4 -12.266 6.265 0.927 1.00 0.00 C ATOM 66 NZ LYS A 4 -13.052 7.513 0.740 1.00 0.00 N ATOM 0 H LYS A 4 -6.131 5.368 3.086 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.478 3.595 2.544 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.701 6.229 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.038 6.240 1.208 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -9.854 4.696 0.448 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.511 4.661 2.072 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.608 7.284 1.866 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.398 7.018 0.146 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.430 5.600 0.079 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.618 5.742 1.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.061 7.278 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.914 8.137 1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.732 7.999 -0.122 1.00 0.00 H new ATOM 80 N ILE A 5 -6.918 2.449 0.989 1.00 0.00 N ATOM 81 CA ILE A 5 -6.232 1.758 -0.113 1.00 0.00 C ATOM 82 C ILE A 5 -7.130 1.694 -1.358 1.00 0.00 C ATOM 83 O ILE A 5 -8.340 1.495 -1.249 1.00 0.00 O ATOM 84 CB ILE A 5 -5.671 0.390 0.337 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.745 -0.194 -0.756 1.00 0.00 C ATOM 86 CG2 ILE A 5 -6.775 -0.611 0.723 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.795 -1.282 -0.240 1.00 0.00 C ATOM 0 H ILE A 5 -7.320 1.820 1.684 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.357 2.339 -0.406 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.088 0.563 1.242 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.358 -0.609 -1.556 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.157 0.614 -1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.321 -1.553 1.030 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.362 -0.205 1.547 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.425 -0.784 -0.135 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.177 -1.645 -1.061 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.156 -0.867 0.540 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.376 -2.108 0.169 1.00 0.00 H new ATOM 99 N VAL A 6 -6.546 1.882 -2.543 1.00 0.00 N ATOM 100 CA VAL A 6 -7.253 2.012 -3.828 1.00 0.00 C ATOM 101 C VAL A 6 -6.605 1.091 -4.876 1.00 0.00 C ATOM 102 O VAL A 6 -5.731 1.530 -5.632 1.00 0.00 O ATOM 103 CB VAL A 6 -7.303 3.486 -4.297 1.00 0.00 C ATOM 104 CG1 VAL A 6 -8.344 3.640 -5.414 1.00 0.00 C ATOM 105 CG2 VAL A 6 -7.648 4.470 -3.170 1.00 0.00 C ATOM 0 H VAL A 6 -5.533 1.951 -2.643 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.288 1.696 -3.695 1.00 0.00 H new ATOM 0 HB VAL A 6 -6.302 3.729 -4.653 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -8.376 4.679 -5.741 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -8.072 3.003 -6.255 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.325 3.347 -5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -7.667 5.485 -3.566 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -8.627 4.223 -2.758 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.896 4.401 -2.384 1.00 0.00 H new ATOM 115 N PRO A 7 -6.954 -0.209 -4.896 1.00 0.00 N ATOM 116 CA PRO A 7 -6.369 -1.166 -5.828 1.00 0.00 C ATOM 117 C PRO A 7 -7.015 -1.123 -7.220 1.00 0.00 C ATOM 118 O PRO A 7 -8.239 -1.135 -7.353 1.00 0.00 O ATOM 119 CB PRO A 7 -6.533 -2.530 -5.153 1.00 0.00 C ATOM 120 CG PRO A 7 -7.828 -2.368 -4.354 1.00 0.00 C ATOM 121 CD PRO A 7 -7.801 -0.899 -3.929 1.00 0.00 C ATOM 0 HA PRO A 7 -5.322 -0.933 -6.023 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.608 -3.335 -5.884 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.687 -2.764 -4.507 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.705 -2.595 -4.960 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.855 -3.035 -3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.806 -0.478 -3.922 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.404 -0.793 -2.919 1.00 0.00 H new ATOM 129 N ALA A 8 -6.190 -1.168 -8.269 1.00 0.00 N ATOM 130 CA ALA A 8 -6.600 -1.289 -9.675 1.00 0.00 C ATOM 131 C ALA A 8 -7.050 -2.724 -10.070 1.00 0.00 C ATOM 132 O ALA A 8 -6.711 -3.219 -11.148 1.00 0.00 O ATOM 133 CB ALA A 8 -5.451 -0.756 -10.544 1.00 0.00 C ATOM 0 H ALA A 8 -5.177 -1.119 -8.160 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.495 -0.690 -9.841 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.725 -0.832 -11.596 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.259 0.287 -10.294 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.552 -1.344 -10.360 1.00 0.00 H new ATOM 139 N VAL A 9 -7.772 -3.419 -9.181 1.00 0.00 N ATOM 140 CA VAL A 9 -8.138 -4.847 -9.286 1.00 0.00 C ATOM 141 C VAL A 9 -9.598 -5.066 -8.860 1.00 0.00 C ATOM 142 O VAL A 9 -10.095 -4.387 -7.958 1.00 0.00 O ATOM 143 CB VAL A 9 -7.176 -5.728 -8.449 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.487 -7.227 -8.571 1.00 0.00 C ATOM 145 CG2 VAL A 9 -5.707 -5.542 -8.858 1.00 0.00 C ATOM 0 H VAL A 9 -8.135 -2.988 -8.331 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.042 -5.147 -10.330 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.330 -5.396 -7.422 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.782 -7.795 -7.964 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.502 -7.418 -8.222 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.398 -7.533 -9.613 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.074 -6.181 -8.242 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.584 -5.812 -9.907 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.419 -4.500 -8.716 1.00 0.00 H new ATOM 155 N GLY A 10 -10.292 -6.019 -9.494 1.00 0.00 N ATOM 156 CA GLY A 10 -11.669 -6.398 -9.153 1.00 0.00 C ATOM 157 C GLY A 10 -12.662 -5.252 -9.372 1.00 0.00 C ATOM 158 O GLY A 10 -12.796 -4.742 -10.488 1.00 0.00 O ATOM 0 H GLY A 10 -9.907 -6.557 -10.270 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.968 -7.254 -9.758 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.708 -6.715 -8.111 1.00 0.00 H new ATOM 162 N GLY A 11 -13.341 -4.825 -8.303 1.00 0.00 N ATOM 163 CA GLY A 11 -14.260 -3.678 -8.315 1.00 0.00 C ATOM 164 C GLY A 11 -13.584 -2.308 -8.499 1.00 0.00 C ATOM 165 O GLY A 11 -14.272 -1.327 -8.786 1.00 0.00 O ATOM 0 H GLY A 11 -13.268 -5.272 -7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.985 -3.820 -9.117 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.818 -3.669 -7.379 1.00 0.00 H new ATOM 169 N GLY A 12 -12.255 -2.216 -8.339 1.00 0.00 N ATOM 170 CA GLY A 12 -11.460 -0.999 -8.577 1.00 0.00 C ATOM 171 C GLY A 12 -11.696 0.162 -7.591 1.00 0.00 C ATOM 172 O GLY A 12 -11.193 1.267 -7.808 1.00 0.00 O ATOM 0 H GLY A 12 -11.688 -3.006 -8.032 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.404 -1.267 -8.547 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.670 -0.642 -9.585 1.00 0.00 H new ATOM 176 N SER A 13 -12.491 -0.059 -6.538 1.00 0.00 N ATOM 177 CA SER A 13 -12.976 0.971 -5.606 1.00 0.00 C ATOM 178 C SER A 13 -12.050 1.181 -4.393 1.00 0.00 C ATOM 179 O SER A 13 -11.357 0.243 -3.983 1.00 0.00 O ATOM 180 CB SER A 13 -14.384 0.599 -5.120 1.00 0.00 C ATOM 181 OG SER A 13 -15.309 0.637 -6.198 1.00 0.00 O ATOM 0 H SER A 13 -12.828 -0.992 -6.301 1.00 0.00 H new ATOM 0 HA SER A 13 -12.992 1.912 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.371 -0.398 -4.679 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.699 1.290 -4.338 1.00 0.00 H new ATOM 0 HG SER A 13 -16.201 0.396 -5.872 1.00 0.00 H new ATOM 187 N PRO A 14 -12.047 2.381 -3.777 1.00 0.00 N ATOM 188 CA PRO A 14 -11.324 2.646 -2.531 1.00 0.00 C ATOM 189 C PRO A 14 -11.898 1.862 -1.333 1.00 0.00 C ATOM 190 O PRO A 14 -13.095 1.560 -1.287 1.00 0.00 O ATOM 191 CB PRO A 14 -11.446 4.159 -2.319 1.00 0.00 C ATOM 192 CG PRO A 14 -12.781 4.503 -2.974 1.00 0.00 C ATOM 193 CD PRO A 14 -12.788 3.571 -4.183 1.00 0.00 C ATOM 0 HA PRO A 14 -10.287 2.319 -2.602 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.440 4.418 -1.260 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.620 4.698 -2.784 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.623 4.315 -2.308 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.834 5.552 -3.266 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.807 3.316 -4.473 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -12.321 4.047 -5.045 1.00 0.00 H new ATOM 201 N LEU A 15 -11.053 1.578 -0.337 1.00 0.00 N ATOM 202 CA LEU A 15 -11.398 0.850 0.890 1.00 0.00 C ATOM 203 C LEU A 15 -10.712 1.463 2.124 1.00 0.00 C ATOM 204 O LEU A 15 -9.486 1.476 2.221 1.00 0.00 O ATOM 205 CB LEU A 15 -11.022 -0.635 0.696 1.00 0.00 C ATOM 206 CG LEU A 15 -11.233 -1.531 1.934 1.00 0.00 C ATOM 207 CD1 LEU A 15 -12.706 -1.625 2.336 1.00 0.00 C ATOM 208 CD2 LEU A 15 -10.727 -2.944 1.639 1.00 0.00 C ATOM 0 H LEU A 15 -10.073 1.859 -0.363 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.469 0.928 1.075 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -11.610 -1.038 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.975 -0.693 0.399 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.678 -1.078 2.755 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.804 -2.266 3.212 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -13.083 -0.630 2.571 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -13.282 -2.046 1.512 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.877 -3.575 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.278 -3.359 0.795 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -9.665 -2.907 1.397 1.00 0.00 H new ATOM 220 N GLU A 16 -11.510 1.938 3.084 1.00 0.00 N ATOM 221 CA GLU A 16 -11.049 2.359 4.417 1.00 0.00 C ATOM 222 C GLU A 16 -10.590 1.156 5.264 1.00 0.00 C ATOM 223 O GLU A 16 -11.272 0.128 5.310 1.00 0.00 O ATOM 224 CB GLU A 16 -12.190 3.072 5.168 1.00 0.00 C ATOM 225 CG GLU A 16 -12.613 4.426 4.573 1.00 0.00 C ATOM 226 CD GLU A 16 -11.657 5.599 4.880 1.00 0.00 C ATOM 227 OE1 GLU A 16 -10.711 5.453 5.690 1.00 0.00 O ATOM 228 OE2 GLU A 16 -11.886 6.699 4.323 1.00 0.00 O ATOM 0 H GLU A 16 -12.516 2.044 2.957 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.205 3.033 4.270 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.059 2.414 5.188 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -11.883 3.227 6.202 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -12.699 4.320 3.492 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -13.605 4.677 4.948 1.00 0.00 H new ATOM 235 N LEU A 17 -9.470 1.298 5.982 1.00 0.00 N ATOM 236 CA LEU A 17 -8.947 0.294 6.913 1.00 0.00 C ATOM 237 C LEU A 17 -8.154 0.947 8.061 1.00 0.00 C ATOM 238 O LEU A 17 -7.351 1.852 7.836 1.00 0.00 O ATOM 239 CB LEU A 17 -8.075 -0.712 6.128 1.00 0.00 C ATOM 240 CG LEU A 17 -7.946 -2.082 6.818 1.00 0.00 C ATOM 241 CD1 LEU A 17 -9.213 -2.923 6.627 1.00 0.00 C ATOM 242 CD2 LEU A 17 -6.770 -2.864 6.232 1.00 0.00 C ATOM 0 H LEU A 17 -8.889 2.135 5.930 1.00 0.00 H new ATOM 0 HA LEU A 17 -9.782 -0.235 7.373 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -8.502 -0.853 5.135 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.080 -0.288 5.990 1.00 0.00 H new ATOM 0 HG LEU A 17 -7.789 -1.893 7.880 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.090 -3.884 7.126 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -10.066 -2.398 7.056 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -9.385 -3.086 5.563 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -6.691 -3.830 6.730 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.931 -3.018 5.165 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.848 -2.302 6.383 1.00 0.00 H new ATOM 254 N GLU A 18 -8.355 0.484 9.297 1.00 0.00 N ATOM 255 CA GLU A 18 -7.541 0.880 10.458 1.00 0.00 C ATOM 256 C GLU A 18 -6.155 0.205 10.437 1.00 0.00 C ATOM 257 O GLU A 18 -6.030 -0.959 10.041 1.00 0.00 O ATOM 258 CB GLU A 18 -8.320 0.576 11.752 1.00 0.00 C ATOM 259 CG GLU A 18 -7.590 1.042 13.021 1.00 0.00 C ATOM 260 CD GLU A 18 -8.483 0.988 14.278 1.00 0.00 C ATOM 261 OE1 GLU A 18 -9.261 0.018 14.453 1.00 0.00 O ATOM 262 OE2 GLU A 18 -8.395 1.917 15.120 1.00 0.00 O ATOM 0 H GLU A 18 -9.093 -0.182 9.526 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.352 1.953 10.413 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -9.296 1.060 11.703 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -8.499 -0.497 11.817 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -6.710 0.418 13.179 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.235 2.062 12.877 1.00 0.00 H new ATOM 269 N VAL A 19 -5.109 0.919 10.872 1.00 0.00 N ATOM 270 CA VAL A 19 -3.718 0.427 10.890 1.00 0.00 C ATOM 271 C VAL A 19 -2.924 0.981 12.084 1.00 0.00 C ATOM 272 O VAL A 19 -3.169 2.097 12.547 1.00 0.00 O ATOM 273 CB VAL A 19 -3.040 0.707 9.529 1.00 0.00 C ATOM 274 CG1 VAL A 19 -2.736 2.192 9.290 1.00 0.00 C ATOM 275 CG2 VAL A 19 -1.740 -0.086 9.358 1.00 0.00 C ATOM 0 H VAL A 19 -5.203 1.870 11.228 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.733 -0.653 11.033 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.773 0.383 8.790 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.261 2.314 8.317 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.665 2.762 9.315 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.066 2.556 10.069 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -1.299 0.143 8.388 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.040 0.188 10.148 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.954 -1.153 9.417 1.00 0.00 H new ATOM 285 N ALA A 20 -1.975 0.196 12.601 1.00 0.00 N ATOM 286 CA ALA A 20 -1.078 0.597 13.687 1.00 0.00 C ATOM 287 C ALA A 20 -0.037 1.656 13.238 1.00 0.00 C ATOM 288 O ALA A 20 0.393 1.637 12.078 1.00 0.00 O ATOM 289 CB ALA A 20 -0.390 -0.668 14.226 1.00 0.00 C ATOM 0 H ALA A 20 -1.806 -0.754 12.270 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.663 1.075 14.473 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.285 -0.397 15.038 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.144 -1.362 14.597 1.00 0.00 H new ATOM 0 HB3 ALA A 20 0.177 -1.143 13.425 1.00 0.00 H new ATOM 295 N PRO A 21 0.441 2.540 14.138 1.00 0.00 N ATOM 296 CA PRO A 21 1.489 3.520 13.820 1.00 0.00 C ATOM 297 C PRO A 21 2.848 2.867 13.496 1.00 0.00 C ATOM 298 O PRO A 21 3.635 3.409 12.719 1.00 0.00 O ATOM 299 CB PRO A 21 1.576 4.421 15.057 1.00 0.00 C ATOM 300 CG PRO A 21 1.110 3.522 16.200 1.00 0.00 C ATOM 301 CD PRO A 21 0.037 2.665 15.534 1.00 0.00 C ATOM 0 HA PRO A 21 1.239 4.078 12.917 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.593 4.779 15.220 1.00 0.00 H new ATOM 0 HB3 PRO A 21 0.940 5.301 14.956 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.924 2.916 16.597 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.708 4.100 17.032 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.034 1.687 16.010 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.944 3.132 15.617 1.00 0.00 H new ATOM 309 N ASN A 22 3.112 1.672 14.041 1.00 0.00 N ATOM 310 CA ASN A 22 4.338 0.892 13.828 1.00 0.00 C ATOM 311 C ASN A 22 4.391 0.154 12.466 1.00 0.00 C ATOM 312 O ASN A 22 5.205 -0.754 12.286 1.00 0.00 O ATOM 313 CB ASN A 22 4.511 -0.060 15.031 1.00 0.00 C ATOM 314 CG ASN A 22 5.939 -0.577 15.168 1.00 0.00 C ATOM 315 OD1 ASN A 22 6.892 0.184 15.277 1.00 0.00 O ATOM 316 ND2 ASN A 22 6.141 -1.876 15.185 1.00 0.00 N ATOM 0 H ASN A 22 2.454 1.205 14.665 1.00 0.00 H new ATOM 0 HA ASN A 22 5.182 1.580 13.772 1.00 0.00 H new ATOM 0 HB2 ASN A 22 4.228 0.461 15.946 1.00 0.00 H new ATOM 0 HB3 ASN A 22 3.831 -0.905 14.922 1.00 0.00 H new ATOM 0 HD21 ASN A 22 7.087 -2.244 15.289 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.352 -2.516 15.095 1.00 0.00 H new ATOM 323 N ALA A 23 3.520 0.495 11.508 1.00 0.00 N ATOM 324 CA ALA A 23 3.458 -0.135 10.189 1.00 0.00 C ATOM 325 C ALA A 23 4.743 0.104 9.367 1.00 0.00 C ATOM 326 O ALA A 23 4.936 1.161 8.760 1.00 0.00 O ATOM 327 CB ALA A 23 2.206 0.369 9.462 1.00 0.00 C ATOM 0 H ALA A 23 2.826 1.232 11.634 1.00 0.00 H new ATOM 0 HA ALA A 23 3.390 -1.216 10.313 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.147 -0.093 8.476 1.00 0.00 H new ATOM 0 HB2 ALA A 23 1.320 0.107 10.039 1.00 0.00 H new ATOM 0 HB3 ALA A 23 2.260 1.452 9.352 1.00 0.00 H new ATOM 333 N THR A 24 5.621 -0.902 9.339 1.00 0.00 N ATOM 334 CA THR A 24 6.779 -0.970 8.435 1.00 0.00 C ATOM 335 C THR A 24 6.335 -1.285 7.002 1.00 0.00 C ATOM 336 O THR A 24 5.360 -2.013 6.781 1.00 0.00 O ATOM 337 CB THR A 24 7.821 -1.988 8.939 1.00 0.00 C ATOM 338 OG1 THR A 24 8.912 -2.050 8.042 1.00 0.00 O ATOM 339 CG2 THR A 24 7.299 -3.422 9.065 1.00 0.00 C ATOM 0 H THR A 24 5.548 -1.711 9.956 1.00 0.00 H new ATOM 0 HA THR A 24 7.258 0.009 8.427 1.00 0.00 H new ATOM 0 HB THR A 24 8.097 -1.627 9.930 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.570 -2.698 8.371 1.00 0.00 H new ATOM 0 HG21 THR A 24 8.098 -4.070 9.426 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.467 -3.446 9.769 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.960 -3.773 8.090 1.00 0.00 H new ATOM 347 N VAL A 25 7.074 -0.777 6.010 1.00 0.00 N ATOM 348 CA VAL A 25 6.827 -1.046 4.580 1.00 0.00 C ATOM 349 C VAL A 25 6.867 -2.540 4.250 1.00 0.00 C ATOM 350 O VAL A 25 6.128 -2.984 3.374 1.00 0.00 O ATOM 351 CB VAL A 25 7.824 -0.290 3.678 1.00 0.00 C ATOM 352 CG1 VAL A 25 7.760 1.218 3.923 1.00 0.00 C ATOM 353 CG2 VAL A 25 9.282 -0.737 3.870 1.00 0.00 C ATOM 0 H VAL A 25 7.870 -0.160 6.174 1.00 0.00 H new ATOM 0 HA VAL A 25 5.820 -0.682 4.378 1.00 0.00 H new ATOM 0 HB VAL A 25 7.519 -0.530 2.659 1.00 0.00 H new ATOM 0 HG11 VAL A 25 8.474 1.723 3.273 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.754 1.579 3.708 1.00 0.00 H new ATOM 0 HG13 VAL A 25 8.006 1.428 4.964 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.929 -0.165 3.205 1.00 0.00 H new ATOM 0 HG22 VAL A 25 9.582 -0.566 4.904 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.371 -1.798 3.637 1.00 0.00 H new ATOM 363 N GLY A 26 7.680 -3.330 4.962 1.00 0.00 N ATOM 364 CA GLY A 26 7.826 -4.769 4.723 1.00 0.00 C ATOM 365 C GLY A 26 6.530 -5.543 4.967 1.00 0.00 C ATOM 366 O GLY A 26 6.152 -6.382 4.150 1.00 0.00 O ATOM 0 H GLY A 26 8.260 -2.984 5.727 1.00 0.00 H new ATOM 0 HA2 GLY A 26 8.153 -4.931 3.696 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.608 -5.163 5.372 1.00 0.00 H new ATOM 370 N ALA A 27 5.800 -5.209 6.036 1.00 0.00 N ATOM 371 CA ALA A 27 4.510 -5.817 6.362 1.00 0.00 C ATOM 372 C ALA A 27 3.436 -5.470 5.317 1.00 0.00 C ATOM 373 O ALA A 27 2.726 -6.358 4.841 1.00 0.00 O ATOM 374 CB ALA A 27 4.103 -5.358 7.769 1.00 0.00 C ATOM 0 H ALA A 27 6.094 -4.499 6.707 1.00 0.00 H new ATOM 0 HA ALA A 27 4.604 -6.903 6.345 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.142 -5.800 8.032 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.858 -5.676 8.488 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.019 -4.271 7.787 1.00 0.00 H new ATOM 380 N VAL A 28 3.359 -4.197 4.906 1.00 0.00 N ATOM 381 CA VAL A 28 2.410 -3.719 3.880 1.00 0.00 C ATOM 382 C VAL A 28 2.684 -4.386 2.528 1.00 0.00 C ATOM 383 O VAL A 28 1.773 -4.943 1.917 1.00 0.00 O ATOM 384 CB VAL A 28 2.453 -2.180 3.758 1.00 0.00 C ATOM 385 CG1 VAL A 28 1.493 -1.657 2.680 1.00 0.00 C ATOM 386 CG2 VAL A 28 2.075 -1.500 5.081 1.00 0.00 C ATOM 0 H VAL A 28 3.958 -3.460 5.277 1.00 0.00 H new ATOM 0 HA VAL A 28 1.405 -4.000 4.196 1.00 0.00 H new ATOM 0 HB VAL A 28 3.480 -1.937 3.485 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.558 -0.570 2.631 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.766 -2.081 1.713 1.00 0.00 H new ATOM 0 HG13 VAL A 28 0.473 -1.948 2.929 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.116 -0.418 4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 28 1.065 -1.795 5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.775 -1.804 5.859 1.00 0.00 H new ATOM 396 N ARG A 29 3.943 -4.387 2.076 1.00 0.00 N ATOM 397 CA ARG A 29 4.372 -4.941 0.779 1.00 0.00 C ATOM 398 C ARG A 29 4.253 -6.470 0.729 1.00 0.00 C ATOM 399 O ARG A 29 3.841 -7.016 -0.294 1.00 0.00 O ATOM 400 CB ARG A 29 5.797 -4.420 0.507 1.00 0.00 C ATOM 401 CG ARG A 29 6.231 -4.361 -0.964 1.00 0.00 C ATOM 402 CD ARG A 29 6.593 -5.709 -1.597 1.00 0.00 C ATOM 403 NE ARG A 29 7.561 -5.496 -2.694 1.00 0.00 N ATOM 404 CZ ARG A 29 8.867 -5.704 -2.663 1.00 0.00 C ATOM 405 NH1 ARG A 29 9.459 -6.298 -1.666 1.00 0.00 N ATOM 406 NH2 ARG A 29 9.621 -5.298 -3.643 1.00 0.00 N ATOM 0 H ARG A 29 4.715 -3.993 2.614 1.00 0.00 H new ATOM 0 HA ARG A 29 3.710 -4.605 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.881 -3.418 0.929 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.501 -5.053 1.046 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.426 -3.910 -1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.092 -3.698 -1.045 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.020 -6.373 -0.845 1.00 0.00 H new ATOM 0 HD3 ARG A 29 5.696 -6.196 -1.979 1.00 0.00 H new ATOM 0 HE ARG A 29 7.179 -5.150 -3.574 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.912 -6.623 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.469 -6.438 -1.683 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.206 -4.817 -4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.627 -5.461 -3.614 1.00 0.00 H new ATOM 420 N THR A 30 4.519 -7.162 1.841 1.00 0.00 N ATOM 421 CA THR A 30 4.286 -8.615 1.974 1.00 0.00 C ATOM 422 C THR A 30 2.793 -8.948 1.933 1.00 0.00 C ATOM 423 O THR A 30 2.392 -9.845 1.189 1.00 0.00 O ATOM 424 CB THR A 30 4.923 -9.184 3.255 1.00 0.00 C ATOM 425 OG1 THR A 30 6.322 -9.000 3.216 1.00 0.00 O ATOM 426 CG2 THR A 30 4.697 -10.687 3.429 1.00 0.00 C ATOM 0 H THR A 30 4.904 -6.733 2.682 1.00 0.00 H new ATOM 0 HA THR A 30 4.769 -9.088 1.119 1.00 0.00 H new ATOM 0 HB THR A 30 4.448 -8.651 4.079 1.00 0.00 H new ATOM 0 HG1 THR A 30 6.541 -8.093 3.517 1.00 0.00 H new ATOM 0 HG21 THR A 30 5.172 -11.022 4.351 1.00 0.00 H new ATOM 0 HG22 THR A 30 3.627 -10.891 3.477 1.00 0.00 H new ATOM 0 HG23 THR A 30 5.131 -11.220 2.583 1.00 0.00 H new ATOM 434 N LYS A 31 1.946 -8.203 2.661 1.00 0.00 N ATOM 435 CA LYS A 31 0.483 -8.380 2.631 1.00 0.00 C ATOM 436 C LYS A 31 -0.100 -8.089 1.245 1.00 0.00 C ATOM 437 O LYS A 31 -0.940 -8.853 0.783 1.00 0.00 O ATOM 438 CB LYS A 31 -0.166 -7.542 3.745 1.00 0.00 C ATOM 439 CG LYS A 31 -1.697 -7.714 3.779 1.00 0.00 C ATOM 440 CD LYS A 31 -2.335 -7.166 5.067 1.00 0.00 C ATOM 441 CE LYS A 31 -2.078 -8.037 6.309 1.00 0.00 C ATOM 442 NZ LYS A 31 -2.819 -9.329 6.259 1.00 0.00 N ATOM 0 H LYS A 31 2.255 -7.460 3.288 1.00 0.00 H new ATOM 0 HA LYS A 31 0.251 -9.427 2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.253 -7.833 4.708 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.077 -6.490 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -2.133 -7.206 2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.940 -8.772 3.681 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.951 -6.163 5.253 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -3.411 -7.073 4.917 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.010 -8.237 6.395 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -2.372 -7.487 7.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -2.668 -9.850 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -3.835 -9.142 6.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.472 -9.897 5.460 1.00 0.00 H new ATOM 456 N VAL A 32 0.397 -7.069 0.542 1.00 0.00 N ATOM 457 CA VAL A 32 0.083 -6.798 -0.875 1.00 0.00 C ATOM 458 C VAL A 32 0.423 -8.001 -1.763 1.00 0.00 C ATOM 459 O VAL A 32 -0.445 -8.488 -2.488 1.00 0.00 O ATOM 460 CB VAL A 32 0.802 -5.510 -1.337 1.00 0.00 C ATOM 461 CG1 VAL A 32 1.042 -5.412 -2.848 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.009 -4.284 -0.899 1.00 0.00 C ATOM 0 H VAL A 32 1.043 -6.390 0.944 1.00 0.00 H new ATOM 0 HA VAL A 32 -0.991 -6.637 -0.973 1.00 0.00 H new ATOM 0 HB VAL A 32 1.784 -5.545 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 32 1.551 -4.475 -3.076 1.00 0.00 H new ATOM 0 HG12 VAL A 32 1.660 -6.249 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.086 -5.442 -3.371 1.00 0.00 H new ATOM 0 HG21 VAL A 32 0.499 -3.376 -1.225 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.002 -4.325 -1.347 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.101 -4.278 0.187 1.00 0.00 H new ATOM 472 N CYS A 33 1.648 -8.528 -1.672 1.00 0.00 N ATOM 473 CA CYS A 33 2.085 -9.681 -2.465 1.00 0.00 C ATOM 474 C CYS A 33 1.236 -10.937 -2.184 1.00 0.00 C ATOM 475 O CYS A 33 0.800 -11.608 -3.120 1.00 0.00 O ATOM 476 CB CYS A 33 3.583 -9.897 -2.202 1.00 0.00 C ATOM 477 SG CYS A 33 4.217 -11.286 -3.190 1.00 0.00 S ATOM 0 H CYS A 33 2.366 -8.166 -1.045 1.00 0.00 H new ATOM 0 HA CYS A 33 1.935 -9.481 -3.526 1.00 0.00 H new ATOM 0 HB2 CYS A 33 4.135 -8.989 -2.446 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.746 -10.094 -1.142 1.00 0.00 H new ATOM 0 HG CYS A 33 3.789 -11.180 -4.413 1.00 0.00 H new ATOM 483 N ALA A 34 0.920 -11.215 -0.914 1.00 0.00 N ATOM 484 CA ALA A 34 0.054 -12.326 -0.510 1.00 0.00 C ATOM 485 C ALA A 34 -1.413 -12.149 -0.957 1.00 0.00 C ATOM 486 O ALA A 34 -2.037 -13.106 -1.422 1.00 0.00 O ATOM 487 CB ALA A 34 0.158 -12.476 1.014 1.00 0.00 C ATOM 0 H ALA A 34 1.265 -10.665 -0.127 1.00 0.00 H new ATOM 0 HA ALA A 34 0.395 -13.232 -1.010 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.478 -13.298 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 34 1.192 -12.685 1.289 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -0.166 -11.552 1.493 1.00 0.00 H new ATOM 493 N MET A 35 -1.961 -10.931 -0.859 1.00 0.00 N ATOM 494 CA MET A 35 -3.340 -10.597 -1.247 1.00 0.00 C ATOM 495 C MET A 35 -3.553 -10.695 -2.766 1.00 0.00 C ATOM 496 O MET A 35 -4.555 -11.255 -3.215 1.00 0.00 O ATOM 497 CB MET A 35 -3.680 -9.189 -0.721 1.00 0.00 C ATOM 498 CG MET A 35 -5.114 -8.735 -1.019 1.00 0.00 C ATOM 499 SD MET A 35 -6.399 -9.576 -0.049 1.00 0.00 S ATOM 500 CE MET A 35 -7.050 -8.167 0.896 1.00 0.00 C ATOM 0 H MET A 35 -1.445 -10.129 -0.498 1.00 0.00 H new ATOM 0 HA MET A 35 -4.016 -11.325 -0.799 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.521 -9.168 0.357 1.00 0.00 H new ATOM 0 HB3 MET A 35 -2.986 -8.472 -1.159 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.185 -7.663 -0.837 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.317 -8.893 -2.078 1.00 0.00 H new ATOM 0 HE1 MET A 35 -7.854 -8.507 1.549 1.00 0.00 H new ATOM 0 HE2 MET A 35 -6.252 -7.733 1.499 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.435 -7.414 0.208 1.00 0.00 H new ATOM 510 N LYS A 36 -2.612 -10.174 -3.569 1.00 0.00 N ATOM 511 CA LYS A 36 -2.636 -10.289 -5.041 1.00 0.00 C ATOM 512 C LYS A 36 -2.208 -11.677 -5.543 1.00 0.00 C ATOM 513 O LYS A 36 -2.592 -12.064 -6.645 1.00 0.00 O ATOM 514 CB LYS A 36 -1.750 -9.196 -5.672 1.00 0.00 C ATOM 515 CG LYS A 36 -2.161 -7.737 -5.391 1.00 0.00 C ATOM 516 CD LYS A 36 -3.618 -7.377 -5.733 1.00 0.00 C ATOM 517 CE LYS A 36 -4.551 -7.587 -4.531 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.957 -7.207 -4.838 1.00 0.00 N ATOM 0 H LYS A 36 -1.807 -9.657 -3.216 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.671 -10.150 -5.352 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.728 -9.338 -5.319 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.738 -9.346 -6.752 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.993 -7.528 -4.334 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.501 -7.078 -5.955 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.670 -6.338 -6.057 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.958 -7.989 -6.569 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.517 -8.633 -4.225 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.193 -6.997 -3.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.550 -7.365 -3.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -5.995 -6.202 -5.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.309 -7.788 -5.626 1.00 0.00 H new ATOM 532 N LYS A 37 -1.427 -12.419 -4.744 1.00 0.00 N ATOM 533 CA LYS A 37 -0.785 -13.713 -5.063 1.00 0.00 C ATOM 534 C LYS A 37 0.184 -13.658 -6.262 1.00 0.00 C ATOM 535 O LYS A 37 0.381 -14.658 -6.956 1.00 0.00 O ATOM 536 CB LYS A 37 -1.845 -14.832 -5.157 1.00 0.00 C ATOM 537 CG LYS A 37 -1.303 -16.178 -4.644 1.00 0.00 C ATOM 538 CD LYS A 37 -2.176 -17.369 -5.068 1.00 0.00 C ATOM 539 CE LYS A 37 -2.014 -17.748 -6.549 1.00 0.00 C ATOM 540 NZ LYS A 37 -0.680 -18.346 -6.834 1.00 0.00 N ATOM 0 H LYS A 37 -1.210 -12.116 -3.795 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.127 -13.961 -4.231 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -2.724 -14.550 -4.577 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.167 -14.941 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.290 -16.324 -5.019 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.239 -16.149 -3.556 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.926 -18.232 -4.450 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -3.222 -17.131 -4.874 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -2.795 -18.455 -6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.152 -16.860 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -0.663 -18.709 -7.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.057 -17.621 -6.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.501 -19.127 -6.171 1.00 0.00 H new ATOM 554 N LEU A 38 0.774 -12.486 -6.520 1.00 0.00 N ATOM 555 CA LEU A 38 1.652 -12.188 -7.663 1.00 0.00 C ATOM 556 C LEU A 38 2.941 -11.448 -7.228 1.00 0.00 C ATOM 557 O LEU A 38 2.946 -10.784 -6.185 1.00 0.00 O ATOM 558 CB LEU A 38 0.874 -11.389 -8.735 1.00 0.00 C ATOM 559 CG LEU A 38 0.218 -12.274 -9.820 1.00 0.00 C ATOM 560 CD1 LEU A 38 -1.223 -12.657 -9.496 1.00 0.00 C ATOM 561 CD2 LEU A 38 0.205 -11.538 -11.159 1.00 0.00 C ATOM 0 H LEU A 38 0.648 -11.679 -5.910 1.00 0.00 H new ATOM 0 HA LEU A 38 1.971 -13.135 -8.099 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.100 -10.799 -8.244 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.554 -10.686 -9.215 1.00 0.00 H new ATOM 0 HG LEU A 38 0.817 -13.184 -9.863 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.624 -13.278 -10.298 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.250 -13.213 -8.559 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.827 -11.754 -9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.259 -12.169 -11.917 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.363 -10.613 -11.060 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.228 -11.306 -11.457 1.00 0.00 H new ATOM 573 N PRO A 39 4.040 -11.564 -8.004 1.00 0.00 N ATOM 574 CA PRO A 39 5.364 -11.063 -7.626 1.00 0.00 C ATOM 575 C PRO A 39 5.478 -9.522 -7.634 1.00 0.00 C ATOM 576 O PRO A 39 4.707 -8.838 -8.319 1.00 0.00 O ATOM 577 CB PRO A 39 6.338 -11.711 -8.621 1.00 0.00 C ATOM 578 CG PRO A 39 5.486 -11.909 -9.870 1.00 0.00 C ATOM 579 CD PRO A 39 4.122 -12.263 -9.284 1.00 0.00 C ATOM 0 HA PRO A 39 5.586 -11.328 -6.592 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.197 -11.070 -8.818 1.00 0.00 H new ATOM 0 HB3 PRO A 39 6.726 -12.658 -8.245 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.444 -11.007 -10.480 1.00 0.00 H new ATOM 0 HG3 PRO A 39 5.875 -12.705 -10.505 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.318 -11.951 -9.951 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.024 -13.340 -9.147 1.00 0.00 H new ATOM 587 N PRO A 40 6.478 -8.955 -6.928 1.00 0.00 N ATOM 588 CA PRO A 40 6.689 -7.506 -6.810 1.00 0.00 C ATOM 589 C PRO A 40 7.134 -6.805 -8.109 1.00 0.00 C ATOM 590 O PRO A 40 7.135 -5.576 -8.173 1.00 0.00 O ATOM 591 CB PRO A 40 7.744 -7.356 -5.710 1.00 0.00 C ATOM 592 CG PRO A 40 8.558 -8.641 -5.810 1.00 0.00 C ATOM 593 CD PRO A 40 7.479 -9.668 -6.139 1.00 0.00 C ATOM 0 HA PRO A 40 5.744 -7.015 -6.578 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.366 -6.475 -5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.285 -7.249 -4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.319 -8.584 -6.588 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.073 -8.873 -4.878 1.00 0.00 H new ATOM 0 HD2 PRO A 40 7.894 -10.506 -6.699 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.040 -10.079 -5.230 1.00 0.00 H new ATOM 601 N ASP A 41 7.492 -7.553 -9.157 1.00 0.00 N ATOM 602 CA ASP A 41 7.666 -7.007 -10.514 1.00 0.00 C ATOM 603 C ASP A 41 6.321 -6.669 -11.195 1.00 0.00 C ATOM 604 O ASP A 41 6.287 -5.863 -12.129 1.00 0.00 O ATOM 605 CB ASP A 41 8.453 -8.005 -11.382 1.00 0.00 C ATOM 606 CG ASP A 41 9.897 -8.273 -10.915 1.00 0.00 C ATOM 607 OD1 ASP A 41 10.499 -7.437 -10.198 1.00 0.00 O ATOM 608 OD2 ASP A 41 10.458 -9.325 -11.306 1.00 0.00 O ATOM 0 H ASP A 41 7.670 -8.555 -9.092 1.00 0.00 H new ATOM 0 HA ASP A 41 8.222 -6.075 -10.417 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.912 -8.951 -11.403 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.481 -7.631 -12.405 1.00 0.00 H new ATOM 613 N THR A 42 5.218 -7.276 -10.739 1.00 0.00 N ATOM 614 CA THR A 42 3.887 -7.195 -11.367 1.00 0.00 C ATOM 615 C THR A 42 2.896 -6.349 -10.556 1.00 0.00 C ATOM 616 O THR A 42 2.119 -5.599 -11.146 1.00 0.00 O ATOM 617 CB THR A 42 3.329 -8.611 -11.609 1.00 0.00 C ATOM 618 OG1 THR A 42 4.280 -9.418 -12.275 1.00 0.00 O ATOM 619 CG2 THR A 42 2.077 -8.612 -12.481 1.00 0.00 C ATOM 0 H THR A 42 5.224 -7.854 -9.899 1.00 0.00 H new ATOM 0 HA THR A 42 4.013 -6.688 -12.324 1.00 0.00 H new ATOM 0 HB THR A 42 3.090 -8.999 -10.619 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.907 -10.313 -12.418 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.729 -9.636 -12.617 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.296 -8.025 -11.997 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.310 -8.176 -13.452 1.00 0.00 H new ATOM 627 N THR A 43 2.937 -6.412 -9.218 1.00 0.00 N ATOM 628 CA THR A 43 2.188 -5.496 -8.330 1.00 0.00 C ATOM 629 C THR A 43 3.069 -4.341 -7.831 1.00 0.00 C ATOM 630 O THR A 43 4.241 -4.549 -7.504 1.00 0.00 O ATOM 631 CB THR A 43 1.500 -6.250 -7.176 1.00 0.00 C ATOM 632 OG1 THR A 43 0.658 -5.366 -6.470 1.00 0.00 O ATOM 633 CG2 THR A 43 2.450 -6.865 -6.145 1.00 0.00 C ATOM 0 H THR A 43 3.493 -7.102 -8.713 1.00 0.00 H new ATOM 0 HA THR A 43 1.392 -5.048 -8.925 1.00 0.00 H new ATOM 0 HB THR A 43 0.964 -7.065 -7.661 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.345 -5.799 -5.648 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.871 -7.373 -5.374 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.107 -7.582 -6.638 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.050 -6.078 -5.688 1.00 0.00 H new ATOM 641 N ARG A 44 2.525 -3.116 -7.780 1.00 0.00 N ATOM 642 CA ARG A 44 3.228 -1.877 -7.376 1.00 0.00 C ATOM 643 C ARG A 44 2.364 -1.020 -6.444 1.00 0.00 C ATOM 644 O ARG A 44 1.138 -1.082 -6.508 1.00 0.00 O ATOM 645 CB ARG A 44 3.661 -1.062 -8.612 1.00 0.00 C ATOM 646 CG ARG A 44 4.479 -1.849 -9.651 1.00 0.00 C ATOM 647 CD ARG A 44 4.911 -0.928 -10.800 1.00 0.00 C ATOM 648 NE ARG A 44 5.549 -1.682 -11.898 1.00 0.00 N ATOM 649 CZ ARG A 44 6.819 -2.039 -12.001 1.00 0.00 C ATOM 650 NH1 ARG A 44 7.697 -1.772 -11.076 1.00 0.00 N ATOM 651 NH2 ARG A 44 7.235 -2.676 -13.057 1.00 0.00 N ATOM 0 H ARG A 44 1.549 -2.949 -8.027 1.00 0.00 H new ATOM 0 HA ARG A 44 4.122 -2.173 -6.826 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.770 -0.664 -9.098 1.00 0.00 H new ATOM 0 HB3 ARG A 44 4.250 -0.208 -8.278 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.358 -2.286 -9.176 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.884 -2.675 -10.042 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.042 -0.393 -11.183 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.606 -0.178 -10.423 1.00 0.00 H new ATOM 0 HE ARG A 44 4.939 -1.960 -12.667 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.414 -1.270 -10.234 1.00 0.00 H new ATOM 0 HH12 ARG A 44 8.667 -2.065 -11.194 1.00 0.00 H new ATOM 0 HH21 ARG A 44 6.582 -2.901 -13.807 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.214 -2.950 -13.134 1.00 0.00 H new ATOM 665 N LEU A 45 3.002 -0.201 -5.606 1.00 0.00 N ATOM 666 CA LEU A 45 2.373 0.573 -4.524 1.00 0.00 C ATOM 667 C LEU A 45 2.947 1.999 -4.453 1.00 0.00 C ATOM 668 O LEU A 45 4.169 2.172 -4.458 1.00 0.00 O ATOM 669 CB LEU A 45 2.588 -0.213 -3.211 1.00 0.00 C ATOM 670 CG LEU A 45 2.166 0.500 -1.915 1.00 0.00 C ATOM 671 CD1 LEU A 45 0.665 0.783 -1.839 1.00 0.00 C ATOM 672 CD2 LEU A 45 2.540 -0.370 -0.715 1.00 0.00 C ATOM 0 H LEU A 45 4.009 -0.050 -5.661 1.00 0.00 H new ATOM 0 HA LEU A 45 1.305 0.696 -4.706 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.038 -1.152 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.645 -0.467 -3.133 1.00 0.00 H new ATOM 0 HG LEU A 45 2.688 1.457 -1.906 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.437 1.287 -0.900 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.372 1.420 -2.673 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.115 -0.156 -1.890 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.242 0.132 0.205 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.027 -1.329 -0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.618 -0.534 -0.706 1.00 0.00 H new ATOM 684 N THR A 46 2.081 3.015 -4.354 1.00 0.00 N ATOM 685 CA THR A 46 2.473 4.441 -4.292 1.00 0.00 C ATOM 686 C THR A 46 1.637 5.264 -3.301 1.00 0.00 C ATOM 687 O THR A 46 0.489 4.934 -2.990 1.00 0.00 O ATOM 688 CB THR A 46 2.436 5.115 -5.678 1.00 0.00 C ATOM 689 OG1 THR A 46 1.128 5.125 -6.208 1.00 0.00 O ATOM 690 CG2 THR A 46 3.355 4.467 -6.715 1.00 0.00 C ATOM 0 H THR A 46 1.072 2.874 -4.314 1.00 0.00 H new ATOM 0 HA THR A 46 3.500 4.429 -3.928 1.00 0.00 H new ATOM 0 HB THR A 46 2.794 6.128 -5.495 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.134 5.560 -7.086 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.269 5.001 -7.661 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.386 4.512 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.065 3.426 -6.858 1.00 0.00 H new ATOM 698 N TYR A 47 2.231 6.360 -2.818 1.00 0.00 N ATOM 699 CA TYR A 47 1.653 7.334 -1.886 1.00 0.00 C ATOM 700 C TYR A 47 2.233 8.735 -2.150 1.00 0.00 C ATOM 701 O TYR A 47 3.450 8.890 -2.266 1.00 0.00 O ATOM 702 CB TYR A 47 1.951 6.892 -0.443 1.00 0.00 C ATOM 703 CG TYR A 47 1.683 7.947 0.620 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.420 8.567 0.714 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.721 8.352 1.484 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.202 9.601 1.644 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.507 9.381 2.422 1.00 0.00 C ATOM 708 CZ TYR A 47 1.247 10.016 2.497 1.00 0.00 C ATOM 709 OH TYR A 47 1.039 11.044 3.365 1.00 0.00 O ATOM 0 H TYR A 47 3.185 6.606 -3.083 1.00 0.00 H new ATOM 0 HA TYR A 47 0.574 7.380 -2.033 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.351 6.010 -0.218 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.997 6.591 -0.380 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.385 8.247 0.069 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.686 7.870 1.426 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.766 10.077 1.705 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.305 9.684 3.083 1.00 0.00 H new ATOM 0 HH TYR A 47 1.856 11.206 3.882 1.00 0.00 H new ATOM 719 N LYS A 48 1.378 9.764 -2.250 1.00 0.00 N ATOM 720 CA LYS A 48 1.766 11.179 -2.464 1.00 0.00 C ATOM 721 C LYS A 48 2.671 11.412 -3.697 1.00 0.00 C ATOM 722 O LYS A 48 3.513 12.311 -3.708 1.00 0.00 O ATOM 723 CB LYS A 48 2.348 11.743 -1.145 1.00 0.00 C ATOM 724 CG LYS A 48 2.086 13.243 -0.927 1.00 0.00 C ATOM 725 CD LYS A 48 0.644 13.519 -0.471 1.00 0.00 C ATOM 726 CE LYS A 48 0.435 15.022 -0.251 1.00 0.00 C ATOM 727 NZ LYS A 48 -0.934 15.317 0.249 1.00 0.00 N ATOM 0 H LYS A 48 0.368 9.638 -2.183 1.00 0.00 H new ATOM 0 HA LYS A 48 0.869 11.743 -2.720 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.925 11.187 -0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.424 11.569 -1.133 1.00 0.00 H new ATOM 0 HG2 LYS A 48 2.781 13.627 -0.181 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.282 13.783 -1.853 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -0.058 13.153 -1.220 1.00 0.00 H new ATOM 0 HD3 LYS A 48 0.437 12.977 0.452 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.171 15.392 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 48 0.604 15.554 -1.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.040 16.342 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -1.635 14.986 -0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.085 14.829 1.155 1.00 0.00 H new ATOM 741 N GLY A 49 2.538 10.566 -4.723 1.00 0.00 N ATOM 742 CA GLY A 49 3.378 10.554 -5.933 1.00 0.00 C ATOM 743 C GLY A 49 4.758 9.890 -5.777 1.00 0.00 C ATOM 744 O GLY A 49 5.547 9.903 -6.726 1.00 0.00 O ATOM 0 H GLY A 49 1.818 9.844 -4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.835 10.040 -6.726 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.525 11.583 -6.262 1.00 0.00 H new ATOM 748 N ARG A 50 5.068 9.321 -4.603 1.00 0.00 N ATOM 749 CA ARG A 50 6.324 8.623 -4.262 1.00 0.00 C ATOM 750 C ARG A 50 6.087 7.121 -4.043 1.00 0.00 C ATOM 751 O ARG A 50 4.965 6.684 -3.773 1.00 0.00 O ATOM 752 CB ARG A 50 6.957 9.251 -2.997 1.00 0.00 C ATOM 753 CG ARG A 50 7.608 10.635 -3.180 1.00 0.00 C ATOM 754 CD ARG A 50 6.612 11.794 -3.319 1.00 0.00 C ATOM 755 NE ARG A 50 7.296 13.100 -3.350 1.00 0.00 N ATOM 756 CZ ARG A 50 6.737 14.270 -3.602 1.00 0.00 C ATOM 757 NH1 ARG A 50 5.458 14.400 -3.819 1.00 0.00 N ATOM 758 NH2 ARG A 50 7.464 15.350 -3.646 1.00 0.00 N ATOM 0 H ARG A 50 4.415 9.334 -3.820 1.00 0.00 H new ATOM 0 HA ARG A 50 7.010 8.737 -5.101 1.00 0.00 H new ATOM 0 HB2 ARG A 50 6.185 9.334 -2.232 1.00 0.00 H new ATOM 0 HB3 ARG A 50 7.712 8.565 -2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.258 10.832 -2.328 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.242 10.610 -4.066 1.00 0.00 H new ATOM 0 HD2 ARG A 50 6.030 11.666 -4.232 1.00 0.00 H new ATOM 0 HD3 ARG A 50 5.909 11.771 -2.487 1.00 0.00 H new ATOM 0 HE ARG A 50 8.298 13.100 -3.158 1.00 0.00 H new ATOM 0 HH11 ARG A 50 4.851 13.580 -3.798 1.00 0.00 H new ATOM 0 HH12 ARG A 50 5.064 15.321 -4.010 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.470 15.295 -3.485 1.00 0.00 H new ATOM 0 HH22 ARG A 50 7.027 16.251 -3.841 1.00 0.00 H new ATOM 772 N ALA A 51 7.156 6.329 -4.112 1.00 0.00 N ATOM 773 CA ALA A 51 7.200 4.976 -3.553 1.00 0.00 C ATOM 774 C ALA A 51 7.598 5.016 -2.060 1.00 0.00 C ATOM 775 O ALA A 51 8.466 5.802 -1.669 1.00 0.00 O ATOM 776 CB ALA A 51 8.181 4.132 -4.375 1.00 0.00 C ATOM 0 H ALA A 51 8.027 6.611 -4.563 1.00 0.00 H new ATOM 0 HA ALA A 51 6.211 4.521 -3.608 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.222 3.122 -3.968 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.846 4.092 -5.412 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.173 4.581 -4.331 1.00 0.00 H new ATOM 782 N LEU A 52 6.998 4.152 -1.234 1.00 0.00 N ATOM 783 CA LEU A 52 7.379 3.955 0.174 1.00 0.00 C ATOM 784 C LEU A 52 8.315 2.744 0.329 1.00 0.00 C ATOM 785 O LEU A 52 7.936 1.611 0.019 1.00 0.00 O ATOM 786 CB LEU A 52 6.140 3.880 1.093 1.00 0.00 C ATOM 787 CG LEU A 52 4.988 2.953 0.635 1.00 0.00 C ATOM 788 CD1 LEU A 52 4.415 2.166 1.814 1.00 0.00 C ATOM 789 CD2 LEU A 52 3.844 3.771 0.029 1.00 0.00 C ATOM 0 H LEU A 52 6.221 3.559 -1.527 1.00 0.00 H new ATOM 0 HA LEU A 52 7.943 4.829 0.499 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.468 3.553 2.080 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.740 4.888 1.208 1.00 0.00 H new ATOM 0 HG LEU A 52 5.405 2.271 -0.106 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.607 1.523 1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 52 5.200 1.554 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 52 4.029 2.859 2.561 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.045 3.100 -0.286 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.460 4.468 0.774 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.212 4.328 -0.833 1.00 0.00 H new ATOM 801 N LYS A 53 9.538 2.983 0.821 1.00 0.00 N ATOM 802 CA LYS A 53 10.588 1.969 1.036 1.00 0.00 C ATOM 803 C LYS A 53 11.564 2.408 2.140 1.00 0.00 C ATOM 804 O LYS A 53 11.847 3.597 2.277 1.00 0.00 O ATOM 805 CB LYS A 53 11.332 1.711 -0.293 1.00 0.00 C ATOM 806 CG LYS A 53 11.736 0.245 -0.546 1.00 0.00 C ATOM 807 CD LYS A 53 10.644 -0.610 -1.225 1.00 0.00 C ATOM 808 CE LYS A 53 9.570 -1.192 -0.291 1.00 0.00 C ATOM 809 NZ LYS A 53 10.083 -2.350 0.495 1.00 0.00 N ATOM 0 H LYS A 53 9.838 3.920 1.091 1.00 0.00 H new ATOM 0 HA LYS A 53 10.122 1.041 1.368 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.699 2.044 -1.116 1.00 0.00 H new ATOM 0 HB3 LYS A 53 12.231 2.327 -0.313 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.631 0.230 -1.168 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.001 -0.215 0.406 1.00 0.00 H new ATOM 0 HD2 LYS A 53 10.149 0.000 -1.980 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.128 -1.434 -1.748 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.223 -0.416 0.391 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.709 -1.507 -0.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 9.328 -2.713 1.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.390 -3.102 -0.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.889 -2.045 1.077 1.00 0.00 H new ATOM 823 N ASP A 54 12.075 1.451 2.917 1.00 0.00 N ATOM 824 CA ASP A 54 13.091 1.625 3.976 1.00 0.00 C ATOM 825 C ASP A 54 12.764 2.674 5.071 1.00 0.00 C ATOM 826 O ASP A 54 13.668 3.201 5.727 1.00 0.00 O ATOM 827 CB ASP A 54 14.494 1.806 3.356 1.00 0.00 C ATOM 828 CG ASP A 54 14.922 0.700 2.371 1.00 0.00 C ATOM 829 OD1 ASP A 54 14.366 -0.425 2.401 1.00 0.00 O ATOM 830 OD2 ASP A 54 15.860 0.949 1.574 1.00 0.00 O ATOM 0 H ASP A 54 11.780 0.479 2.825 1.00 0.00 H new ATOM 0 HA ASP A 54 13.077 0.695 4.544 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.524 2.764 2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 54 15.226 1.857 4.162 1.00 0.00 H new ATOM 835 N THR A 55 11.481 2.991 5.292 1.00 0.00 N ATOM 836 CA THR A 55 11.041 4.025 6.260 1.00 0.00 C ATOM 837 C THR A 55 11.119 3.572 7.724 1.00 0.00 C ATOM 838 O THR A 55 11.224 4.407 8.625 1.00 0.00 O ATOM 839 CB THR A 55 9.602 4.488 5.978 1.00 0.00 C ATOM 840 OG1 THR A 55 8.680 3.472 6.305 1.00 0.00 O ATOM 841 CG2 THR A 55 9.358 4.868 4.516 1.00 0.00 C ATOM 0 H THR A 55 10.708 2.538 4.804 1.00 0.00 H new ATOM 0 HA THR A 55 11.742 4.848 6.119 1.00 0.00 H new ATOM 0 HB THR A 55 9.461 5.374 6.597 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.770 3.785 6.121 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.323 5.185 4.390 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.024 5.685 4.236 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.554 4.006 3.878 1.00 0.00 H new ATOM 849 N GLU A 56 11.073 2.255 7.964 1.00 0.00 N ATOM 850 CA GLU A 56 10.977 1.554 9.262 1.00 0.00 C ATOM 851 C GLU A 56 9.675 1.817 10.056 1.00 0.00 C ATOM 852 O GLU A 56 9.090 0.878 10.598 1.00 0.00 O ATOM 853 CB GLU A 56 12.264 1.788 10.082 1.00 0.00 C ATOM 854 CG GLU A 56 12.632 0.633 11.029 1.00 0.00 C ATOM 855 CD GLU A 56 11.778 0.535 12.310 1.00 0.00 C ATOM 856 OE1 GLU A 56 11.441 1.581 12.917 1.00 0.00 O ATOM 857 OE2 GLU A 56 11.495 -0.606 12.755 1.00 0.00 O ATOM 0 H GLU A 56 11.104 1.590 7.191 1.00 0.00 H new ATOM 0 HA GLU A 56 10.900 0.490 9.040 1.00 0.00 H new ATOM 0 HB2 GLU A 56 13.093 1.956 9.394 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.146 2.699 10.668 1.00 0.00 H new ATOM 0 HG2 GLU A 56 12.546 -0.306 10.482 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.678 0.739 11.316 1.00 0.00 H new ATOM 864 N THR A 57 9.171 3.055 10.076 1.00 0.00 N ATOM 865 CA THR A 57 7.944 3.484 10.771 1.00 0.00 C ATOM 866 C THR A 57 7.295 4.693 10.081 1.00 0.00 C ATOM 867 O THR A 57 7.971 5.492 9.426 1.00 0.00 O ATOM 868 CB THR A 57 8.238 3.787 12.257 1.00 0.00 C ATOM 869 OG1 THR A 57 7.076 4.245 12.917 1.00 0.00 O ATOM 870 CG2 THR A 57 9.290 4.876 12.481 1.00 0.00 C ATOM 0 H THR A 57 9.626 3.825 9.586 1.00 0.00 H new ATOM 0 HA THR A 57 7.231 2.661 10.722 1.00 0.00 H new ATOM 0 HB THR A 57 8.606 2.839 12.650 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.285 4.429 13.857 1.00 0.00 H new ATOM 0 HG21 THR A 57 9.436 5.026 13.551 1.00 0.00 H new ATOM 0 HG22 THR A 57 10.232 4.571 12.025 1.00 0.00 H new ATOM 0 HG23 THR A 57 8.952 5.807 12.027 1.00 0.00 H new ATOM 878 N LEU A 58 5.978 4.859 10.252 1.00 0.00 N ATOM 879 CA LEU A 58 5.222 6.021 9.766 1.00 0.00 C ATOM 880 C LEU A 58 5.662 7.344 10.429 1.00 0.00 C ATOM 881 O LEU A 58 5.539 8.410 9.819 1.00 0.00 O ATOM 882 CB LEU A 58 3.720 5.779 10.003 1.00 0.00 C ATOM 883 CG LEU A 58 3.109 4.560 9.281 1.00 0.00 C ATOM 884 CD1 LEU A 58 1.615 4.477 9.601 1.00 0.00 C ATOM 885 CD2 LEU A 58 3.260 4.643 7.760 1.00 0.00 C ATOM 0 H LEU A 58 5.397 4.178 10.741 1.00 0.00 H new ATOM 0 HA LEU A 58 5.427 6.127 8.701 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.556 5.662 11.074 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.175 6.671 9.693 1.00 0.00 H new ATOM 0 HG LEU A 58 3.646 3.679 9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.181 3.616 9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.479 4.369 10.677 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.119 5.387 9.262 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.813 3.761 7.301 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.757 5.537 7.393 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.318 4.690 7.501 1.00 0.00 H new ATOM 897 N GLU A 59 6.229 7.291 11.641 1.00 0.00 N ATOM 898 CA GLU A 59 6.751 8.473 12.346 1.00 0.00 C ATOM 899 C GLU A 59 7.934 9.138 11.615 1.00 0.00 C ATOM 900 O GLU A 59 8.103 10.355 11.715 1.00 0.00 O ATOM 901 CB GLU A 59 7.167 8.100 13.785 1.00 0.00 C ATOM 902 CG GLU A 59 6.106 8.449 14.837 1.00 0.00 C ATOM 903 CD GLU A 59 4.842 7.573 14.744 1.00 0.00 C ATOM 904 OE1 GLU A 59 3.895 7.948 14.011 1.00 0.00 O ATOM 905 OE2 GLU A 59 4.774 6.538 15.448 1.00 0.00 O ATOM 0 H GLU A 59 6.340 6.423 12.165 1.00 0.00 H new ATOM 0 HA GLU A 59 5.941 9.201 12.371 1.00 0.00 H new ATOM 0 HB2 GLU A 59 7.374 7.031 13.830 1.00 0.00 H new ATOM 0 HB3 GLU A 59 8.095 8.615 14.032 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.541 8.342 15.831 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.823 9.496 14.724 1.00 0.00 H new ATOM 912 N SER A 60 8.719 8.384 10.835 1.00 0.00 N ATOM 913 CA SER A 60 9.843 8.912 10.041 1.00 0.00 C ATOM 914 C SER A 60 9.393 9.876 8.932 1.00 0.00 C ATOM 915 O SER A 60 10.149 10.770 8.544 1.00 0.00 O ATOM 916 CB SER A 60 10.622 7.760 9.394 1.00 0.00 C ATOM 917 OG SER A 60 11.131 6.874 10.376 1.00 0.00 O ATOM 0 H SER A 60 8.592 7.377 10.734 1.00 0.00 H new ATOM 0 HA SER A 60 10.473 9.466 10.737 1.00 0.00 H new ATOM 0 HB2 SER A 60 9.971 7.215 8.711 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.444 8.161 8.800 1.00 0.00 H new ATOM 0 HG SER A 60 11.220 5.977 9.992 1.00 0.00 H new ATOM 923 N LEU A 61 8.165 9.705 8.425 1.00 0.00 N ATOM 924 CA LEU A 61 7.548 10.540 7.385 1.00 0.00 C ATOM 925 C LEU A 61 6.629 11.637 7.967 1.00 0.00 C ATOM 926 O LEU A 61 6.202 12.530 7.231 1.00 0.00 O ATOM 927 CB LEU A 61 6.792 9.622 6.399 1.00 0.00 C ATOM 928 CG LEU A 61 7.657 9.022 5.272 1.00 0.00 C ATOM 929 CD1 LEU A 61 8.861 8.219 5.766 1.00 0.00 C ATOM 930 CD2 LEU A 61 6.797 8.092 4.414 1.00 0.00 C ATOM 0 H LEU A 61 7.551 8.954 8.739 1.00 0.00 H new ATOM 0 HA LEU A 61 8.336 11.076 6.856 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.338 8.806 6.961 1.00 0.00 H new ATOM 0 HB3 LEU A 61 5.978 10.190 5.948 1.00 0.00 H new ATOM 0 HG LEU A 61 8.041 9.872 4.708 1.00 0.00 H new ATOM 0 HD11 LEU A 61 9.416 7.832 4.911 1.00 0.00 H new ATOM 0 HD12 LEU A 61 9.510 8.864 6.358 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.516 7.388 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 61 7.406 7.666 3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.399 7.289 5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 61 5.973 8.657 3.979 1.00 0.00 H new ATOM 942 N GLY A 62 6.325 11.596 9.273 1.00 0.00 N ATOM 943 CA GLY A 62 5.504 12.600 9.968 1.00 0.00 C ATOM 944 C GLY A 62 4.039 12.654 9.507 1.00 0.00 C ATOM 945 O GLY A 62 3.427 13.725 9.521 1.00 0.00 O ATOM 0 H GLY A 62 6.649 10.850 9.888 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.528 12.393 11.038 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.954 13.582 9.823 1.00 0.00 H new ATOM 949 N VAL A 63 3.492 11.526 9.037 1.00 0.00 N ATOM 950 CA VAL A 63 2.175 11.448 8.373 1.00 0.00 C ATOM 951 C VAL A 63 0.990 11.778 9.296 1.00 0.00 C ATOM 952 O VAL A 63 1.039 11.564 10.511 1.00 0.00 O ATOM 953 CB VAL A 63 1.958 10.080 7.692 1.00 0.00 C ATOM 954 CG1 VAL A 63 3.092 9.747 6.713 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.818 8.923 8.688 1.00 0.00 C ATOM 0 H VAL A 63 3.958 10.621 9.107 1.00 0.00 H new ATOM 0 HA VAL A 63 2.199 12.225 7.609 1.00 0.00 H new ATOM 0 HB VAL A 63 1.017 10.182 7.151 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.903 8.777 6.254 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.140 10.512 5.938 1.00 0.00 H new ATOM 0 HG13 VAL A 63 4.040 9.716 7.251 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.668 7.991 8.144 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.724 8.850 9.290 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.963 9.105 9.339 1.00 0.00 H new ATOM 965 N ALA A 64 -0.091 12.289 8.702 1.00 0.00 N ATOM 966 CA ALA A 64 -1.377 12.540 9.358 1.00 0.00 C ATOM 967 C ALA A 64 -2.297 11.293 9.365 1.00 0.00 C ATOM 968 O ALA A 64 -1.957 10.234 8.832 1.00 0.00 O ATOM 969 CB ALA A 64 -2.031 13.733 8.644 1.00 0.00 C ATOM 0 H ALA A 64 -0.095 12.549 7.716 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.213 12.771 10.410 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.994 13.950 9.106 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.384 14.606 8.727 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.180 13.490 7.592 1.00 0.00 H new ATOM 975 N ASP A 65 -3.488 11.416 9.959 1.00 0.00 N ATOM 976 CA ASP A 65 -4.586 10.453 9.786 1.00 0.00 C ATOM 977 C ASP A 65 -5.243 10.581 8.389 1.00 0.00 C ATOM 978 O ASP A 65 -5.273 11.671 7.809 1.00 0.00 O ATOM 979 CB ASP A 65 -5.625 10.677 10.900 1.00 0.00 C ATOM 980 CG ASP A 65 -6.682 9.565 10.980 1.00 0.00 C ATOM 981 OD1 ASP A 65 -6.361 8.398 10.652 1.00 0.00 O ATOM 982 OD2 ASP A 65 -7.826 9.852 11.405 1.00 0.00 O ATOM 0 H ASP A 65 -3.721 12.192 10.579 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.183 9.443 9.855 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.110 10.748 11.858 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.124 11.632 10.735 1.00 0.00 H new ATOM 987 N GLY A 66 -5.815 9.494 7.859 1.00 0.00 N ATOM 988 CA GLY A 66 -6.610 9.512 6.622 1.00 0.00 C ATOM 989 C GLY A 66 -5.809 9.558 5.311 1.00 0.00 C ATOM 990 O GLY A 66 -6.297 10.107 4.319 1.00 0.00 O ATOM 0 H GLY A 66 -5.739 8.568 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.244 8.625 6.607 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.273 10.377 6.651 1.00 0.00 H new ATOM 994 N ASP A 67 -4.591 9.006 5.281 1.00 0.00 N ATOM 995 CA ASP A 67 -3.804 8.840 4.044 1.00 0.00 C ATOM 996 C ASP A 67 -4.504 7.920 3.026 1.00 0.00 C ATOM 997 O ASP A 67 -5.275 7.036 3.408 1.00 0.00 O ATOM 998 CB ASP A 67 -2.412 8.263 4.344 1.00 0.00 C ATOM 999 CG ASP A 67 -1.539 9.101 5.291 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.737 10.335 5.403 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.621 8.502 5.900 1.00 0.00 O ATOM 0 H ASP A 67 -4.117 8.659 6.115 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.709 9.836 3.612 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.535 7.269 4.775 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.879 8.138 3.402 1.00 0.00 H new ATOM 1006 N LYS A 68 -4.195 8.071 1.730 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.677 7.178 0.661 1.00 0.00 C ATOM 1008 C LYS A 68 -3.534 6.607 -0.179 1.00 0.00 C ATOM 1009 O LYS A 68 -2.606 7.332 -0.539 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.786 7.851 -0.168 1.00 0.00 C ATOM 1011 CG LYS A 68 -5.314 9.027 -1.040 1.00 0.00 C ATOM 1012 CD LYS A 68 -6.510 9.698 -1.732 1.00 0.00 C ATOM 1013 CE LYS A 68 -6.090 10.874 -2.626 1.00 0.00 C ATOM 1014 NZ LYS A 68 -5.404 10.429 -3.869 1.00 0.00 N ATOM 0 H LYS A 68 -3.597 8.824 1.389 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.137 6.309 1.132 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -6.245 7.101 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.562 8.208 0.510 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.787 9.756 -0.424 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -4.606 8.671 -1.788 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.038 8.959 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.210 10.053 -0.976 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.972 11.458 -2.891 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.427 11.534 -2.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -5.141 11.260 -4.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -4.547 9.895 -3.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.043 9.821 -4.420 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.601 5.312 -0.484 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.543 4.554 -1.168 1.00 0.00 C ATOM 1030 C PHE A 69 -3.080 3.924 -2.455 1.00 0.00 C ATOM 1031 O PHE A 69 -4.144 3.307 -2.435 1.00 0.00 O ATOM 1032 CB PHE A 69 -1.986 3.458 -0.240 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.502 3.868 1.144 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.895 5.120 1.374 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.626 2.959 2.214 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.442 5.468 2.659 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -1.170 3.304 3.499 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.581 4.561 3.724 1.00 0.00 C ATOM 0 H PHE A 69 -4.415 4.740 -0.257 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.739 5.243 -1.425 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.762 2.704 -0.112 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.155 2.976 -0.755 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.777 5.817 0.557 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.074 1.991 2.046 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.013 6.433 2.828 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.272 2.603 4.314 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.237 4.829 4.712 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.355 4.041 -3.569 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.767 3.469 -4.865 1.00 0.00 C ATOM 1050 C VAL A 70 -1.974 2.196 -5.160 1.00 0.00 C ATOM 1051 O VAL A 70 -0.741 2.208 -5.092 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.643 4.502 -6.003 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -3.039 3.913 -7.364 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.545 5.717 -5.740 1.00 0.00 C ATOM 0 H VAL A 70 -1.463 4.535 -3.604 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.821 3.199 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.595 4.799 -6.029 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.936 4.677 -8.135 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.389 3.070 -7.599 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -4.074 3.573 -7.326 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -3.440 6.432 -6.556 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.583 5.392 -5.674 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -3.253 6.191 -4.803 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.675 1.111 -5.506 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.073 -0.144 -5.965 1.00 0.00 C ATOM 1066 C LEU A 71 -2.257 -0.308 -7.479 1.00 0.00 C ATOM 1067 O LEU A 71 -3.372 -0.177 -7.990 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.664 -1.344 -5.196 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.652 -2.479 -4.981 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -0.713 -2.139 -3.828 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.387 -3.779 -4.655 1.00 0.00 C ATOM 0 H LEU A 71 -3.694 1.080 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.003 -0.111 -5.760 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.030 -1.003 -4.227 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.524 -1.731 -5.743 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.073 -2.602 -5.896 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.001 -2.952 -3.687 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.174 -1.220 -4.057 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.293 -2.002 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.662 -4.579 -4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.975 -3.646 -3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.048 -4.040 -5.481 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.174 -0.633 -8.182 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.121 -0.809 -9.640 1.00 0.00 C ATOM 1085 C ILE A 72 -0.774 -2.270 -9.969 1.00 0.00 C ATOM 1086 O ILE A 72 -0.017 -2.916 -9.239 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.140 0.206 -10.282 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.456 1.675 -9.897 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.134 0.089 -11.818 1.00 0.00 C ATOM 1090 CD1 ILE A 72 0.382 2.185 -8.714 1.00 0.00 C ATOM 0 H ILE A 72 -0.269 -0.788 -7.737 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.099 -0.600 -10.073 1.00 0.00 H new ATOM 0 HB ILE A 72 0.843 -0.050 -9.887 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.281 2.316 -10.761 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -1.514 1.759 -9.647 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.564 0.815 -12.235 1.00 0.00 H new ATOM 0 HG22 ILE A 72 0.173 -0.917 -12.105 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.135 0.286 -12.202 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.112 3.218 -8.496 1.00 0.00 H new ATOM 0 HD12 ILE A 72 0.188 1.567 -7.838 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.441 2.132 -8.968 1.00 0.00 H new ATOM 1102 N THR A 73 -1.320 -2.790 -11.070 1.00 0.00 N ATOM 1103 CA THR A 73 -1.095 -4.160 -11.563 1.00 0.00 C ATOM 1104 C THR A 73 -0.650 -4.179 -13.034 1.00 0.00 C ATOM 1105 O THR A 73 -0.778 -3.181 -13.751 1.00 0.00 O ATOM 1106 CB THR A 73 -2.337 -5.033 -11.300 1.00 0.00 C ATOM 1107 OG1 THR A 73 -2.019 -6.389 -11.523 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.535 -4.685 -12.188 1.00 0.00 C ATOM 0 H THR A 73 -1.952 -2.256 -11.666 1.00 0.00 H new ATOM 0 HA THR A 73 -0.266 -4.594 -11.004 1.00 0.00 H new ATOM 0 HB THR A 73 -2.621 -4.842 -10.265 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.810 -6.943 -11.354 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.371 -5.341 -11.945 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.826 -3.649 -12.017 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.262 -4.817 -13.235 1.00 0.00 H new ATOM 1116 N ARG A 74 -0.125 -5.320 -13.489 1.00 0.00 N ATOM 1117 CA ARG A 74 0.390 -5.580 -14.846 1.00 0.00 C ATOM 1118 C ARG A 74 -0.144 -6.914 -15.374 1.00 0.00 C ATOM 1119 O ARG A 74 -0.177 -7.906 -14.644 1.00 0.00 O ATOM 1120 CB ARG A 74 1.936 -5.585 -14.816 1.00 0.00 C ATOM 1121 CG ARG A 74 2.596 -4.260 -15.221 1.00 0.00 C ATOM 1122 CD ARG A 74 2.609 -4.072 -16.745 1.00 0.00 C ATOM 1123 NE ARG A 74 3.455 -2.924 -17.133 1.00 0.00 N ATOM 1124 CZ ARG A 74 4.519 -2.930 -17.920 1.00 0.00 C ATOM 1125 NH1 ARG A 74 4.959 -4.010 -18.504 1.00 0.00 N ATOM 1126 NH2 ARG A 74 5.178 -1.829 -18.139 1.00 0.00 N ATOM 0 H ARG A 74 -0.041 -6.139 -12.887 1.00 0.00 H new ATOM 0 HA ARG A 74 0.049 -4.792 -15.517 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.264 -5.844 -13.809 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.295 -6.371 -15.481 1.00 0.00 H new ATOM 0 HG2 ARG A 74 2.062 -3.431 -14.757 1.00 0.00 H new ATOM 0 HG3 ARG A 74 3.618 -4.232 -14.843 1.00 0.00 H new ATOM 0 HD2 ARG A 74 2.980 -4.979 -17.223 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.592 -3.916 -17.104 1.00 0.00 H new ATOM 0 HE ARG A 74 3.187 -2.018 -16.748 1.00 0.00 H new ATOM 0 HH11 ARG A 74 4.478 -4.898 -18.362 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.784 -3.966 -19.102 1.00 0.00 H new ATOM 0 HH21 ARG A 74 4.875 -0.958 -17.703 1.00 0.00 H new ATOM 0 HH22 ARG A 74 5.998 -1.837 -18.746 1.00 0.00 H new ATOM 1140 N THR A 75 -0.517 -6.958 -16.650 1.00 0.00 N ATOM 1141 CA THR A 75 -0.813 -8.211 -17.366 1.00 0.00 C ATOM 1142 C THR A 75 0.487 -8.869 -17.847 1.00 0.00 C ATOM 1143 O THR A 75 1.349 -8.218 -18.444 1.00 0.00 O ATOM 1144 CB THR A 75 -1.795 -7.984 -18.529 1.00 0.00 C ATOM 1145 OG1 THR A 75 -1.360 -6.941 -19.380 1.00 0.00 O ATOM 1146 CG2 THR A 75 -3.189 -7.617 -18.013 1.00 0.00 C ATOM 0 H THR A 75 -0.625 -6.124 -17.227 1.00 0.00 H new ATOM 0 HA THR A 75 -1.303 -8.891 -16.669 1.00 0.00 H new ATOM 0 HB THR A 75 -1.835 -8.921 -19.084 1.00 0.00 H new ATOM 0 HG1 THR A 75 -2.004 -6.823 -20.109 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.861 -7.463 -18.858 1.00 0.00 H new ATOM 0 HG22 THR A 75 -3.570 -8.425 -17.389 1.00 0.00 H new ATOM 0 HG23 THR A 75 -3.130 -6.701 -17.425 1.00 0.00 H new ATOM 1154 N VAL A 76 0.644 -10.167 -17.557 1.00 0.00 N ATOM 1155 CA VAL A 76 1.874 -10.957 -17.812 1.00 0.00 C ATOM 1156 C VAL A 76 1.586 -12.362 -18.382 1.00 0.00 C ATOM 1157 O VAL A 76 2.455 -13.239 -18.372 1.00 0.00 O ATOM 1158 CB VAL A 76 2.787 -11.011 -16.560 1.00 0.00 C ATOM 1159 CG1 VAL A 76 3.292 -9.621 -16.151 1.00 0.00 C ATOM 1160 CG2 VAL A 76 2.107 -11.657 -15.343 1.00 0.00 C ATOM 0 H VAL A 76 -0.097 -10.720 -17.126 1.00 0.00 H new ATOM 0 HA VAL A 76 2.420 -10.428 -18.593 1.00 0.00 H new ATOM 0 HB VAL A 76 3.629 -11.635 -16.861 1.00 0.00 H new ATOM 0 HG11 VAL A 76 3.927 -9.709 -15.270 1.00 0.00 H new ATOM 0 HG12 VAL A 76 3.866 -9.187 -16.970 1.00 0.00 H new ATOM 0 HG13 VAL A 76 2.442 -8.978 -15.923 1.00 0.00 H new ATOM 0 HG21 VAL A 76 2.799 -11.664 -14.501 1.00 0.00 H new ATOM 0 HG22 VAL A 76 1.218 -11.086 -15.077 1.00 0.00 H new ATOM 0 HG23 VAL A 76 1.821 -12.680 -15.586 1.00 0.00 H new ATOM 1170 N GLY A 77 0.367 -12.587 -18.890 1.00 0.00 N ATOM 1171 CA GLY A 77 -0.100 -13.852 -19.482 1.00 0.00 C ATOM 1172 C GLY A 77 -1.538 -13.771 -19.997 1.00 0.00 C ATOM 1173 O GLY A 77 -1.821 -12.884 -20.832 1.00 0.00 O ATOM 1174 OXT GLY A 77 -2.373 -14.593 -19.558 1.00 0.00 O ATOM 0 H GLY A 77 -0.352 -11.864 -18.901 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.560 -14.129 -20.304 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -0.030 -14.644 -18.737 1.00 0.00 H new TER 1178 GLY A 77