USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 598 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 55 LYS NZ :NH3+ 159:sc= 0.479 (180deg=-0.0124) USER MOD Set 1.2: A 56 ASN : amide:sc= 0.811 K(o=1.3,f=-3.5) USER MOD Set 2.1: A 41 LYS NZ :NH3+ -168:sc= 0.545 (180deg=-0.75) USER MOD Set 2.2: A 75 GLN : amide:sc= -0.0751 K(o=0.47,f=-7.9!) USER MOD Set 3.1: A 21 ASN : amide:sc= 0.945 K(o=3,f=1.5) USER MOD Set 3.2: A 22 GLN : amide:sc= 2.08 K(o=3,f=1.5) USER MOD Set 4.1: A 13 TYR OH : rot 156:sc= 0.449 USER MOD Set 4.2: A 34 THR OG1 : rot 66:sc= 1.99 USER MOD Single : A 1 LYS N :NH3+ -125:sc= -0.255 (180deg=-2.45!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.331 USER MOD Single : A 7 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.118) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0.0173 (180deg=-0.00338) USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0.0494 (180deg=0.0413) USER MOD Single : A 24 SER OG : rot 180:sc= 0.288 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0529) USER MOD Single : A 33 GLN : amide:sc= 1.06 K(o=1.1,f=-0.07) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0973 USER MOD Single : A 44 SER OG : rot 180:sc= 0.36 USER MOD Single : A 45 THR OG1 : rot -89:sc= 1.24 USER MOD Single : A 62 SER OG : rot -85:sc= 0.888 USER MOD Single : A 67 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.2) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0571) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -15.828 -6.535 -1.937 1.00 0.00 N ATOM 2 CA LYS A 1 -14.629 -5.720 -2.029 1.00 0.00 C ATOM 3 C LYS A 1 -14.941 -4.540 -2.958 1.00 0.00 C ATOM 4 O LYS A 1 -15.925 -4.594 -3.694 1.00 0.00 O ATOM 5 CB LYS A 1 -13.461 -6.569 -2.560 1.00 0.00 C ATOM 6 CG LYS A 1 -12.766 -7.419 -1.484 1.00 0.00 C ATOM 7 CD LYS A 1 -13.685 -8.457 -0.829 1.00 0.00 C ATOM 8 CE LYS A 1 -12.874 -9.359 0.109 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.734 -10.348 0.782 1.00 0.00 N ATOM 0 H1 LYS A 1 -16.093 -6.652 -0.938 1.00 0.00 H new ATOM 0 H2 LYS A 1 -16.604 -6.069 -2.449 1.00 0.00 H new ATOM 0 H3 LYS A 1 -15.646 -7.468 -2.358 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.332 -5.341 -1.051 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -13.832 -7.228 -3.345 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -12.725 -5.909 -3.019 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.915 -7.932 -1.932 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.370 -6.759 -0.712 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -14.475 -7.954 -0.271 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.171 -9.060 -1.596 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.100 -9.875 -0.459 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -12.367 -8.748 0.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -13.155 -10.942 1.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -14.457 -9.854 1.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.198 -10.947 0.069 1.00 0.00 H new ATOM 25 N SER A 2 -14.133 -3.474 -2.934 1.00 0.00 N ATOM 26 CA SER A 2 -14.353 -2.304 -3.777 1.00 0.00 C ATOM 27 C SER A 2 -13.095 -1.431 -3.822 1.00 0.00 C ATOM 28 O SER A 2 -12.318 -1.437 -2.866 1.00 0.00 O ATOM 29 CB SER A 2 -15.546 -1.492 -3.236 1.00 0.00 C ATOM 30 OG SER A 2 -15.188 -0.784 -2.061 1.00 0.00 O ATOM 0 H SER A 2 -13.313 -3.403 -2.331 1.00 0.00 H new ATOM 0 HA SER A 2 -14.576 -2.636 -4.791 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.888 -0.791 -3.997 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.379 -2.162 -3.022 1.00 0.00 H new ATOM 0 HG SER A 2 -15.961 -0.275 -1.738 1.00 0.00 H new ATOM 36 N PRO A 3 -12.880 -0.655 -4.900 1.00 0.00 N ATOM 37 CA PRO A 3 -11.759 0.270 -4.975 1.00 0.00 C ATOM 38 C PRO A 3 -11.876 1.317 -3.863 1.00 0.00 C ATOM 39 O PRO A 3 -10.869 1.772 -3.331 1.00 0.00 O ATOM 40 CB PRO A 3 -11.819 0.891 -6.373 1.00 0.00 C ATOM 41 CG PRO A 3 -13.291 0.758 -6.764 1.00 0.00 C ATOM 42 CD PRO A 3 -13.705 -0.553 -6.095 1.00 0.00 C ATOM 0 HA PRO A 3 -10.798 -0.222 -4.828 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.500 1.933 -6.363 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -11.169 0.366 -7.073 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -13.882 1.600 -6.404 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -13.420 0.718 -7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -14.765 -0.547 -5.841 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.541 -1.402 -6.759 1.00 0.00 H new ATOM 50 N GLU A 4 -13.111 1.684 -3.498 1.00 0.00 N ATOM 51 CA GLU A 4 -13.393 2.630 -2.428 1.00 0.00 C ATOM 52 C GLU A 4 -12.789 2.095 -1.125 1.00 0.00 C ATOM 53 O GLU A 4 -12.192 2.844 -0.355 1.00 0.00 O ATOM 54 CB GLU A 4 -14.909 2.840 -2.323 1.00 0.00 C ATOM 55 CG GLU A 4 -15.268 3.931 -1.308 1.00 0.00 C ATOM 56 CD GLU A 4 -16.775 4.152 -1.254 1.00 0.00 C ATOM 57 OE1 GLU A 4 -17.467 3.212 -0.806 1.00 0.00 O ATOM 58 OE2 GLU A 4 -17.207 5.247 -1.674 1.00 0.00 O ATOM 0 H GLU A 4 -13.951 1.322 -3.949 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.942 3.601 -2.635 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -15.306 3.110 -3.301 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -15.386 1.904 -2.033 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.903 3.649 -0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.770 4.862 -1.578 1.00 0.00 H new ATOM 65 N GLU A 5 -12.928 0.786 -0.885 1.00 0.00 N ATOM 66 CA GLU A 5 -12.335 0.162 0.285 1.00 0.00 C ATOM 67 C GLU A 5 -10.826 0.434 0.275 1.00 0.00 C ATOM 68 O GLU A 5 -10.277 0.874 1.278 1.00 0.00 O ATOM 69 CB GLU A 5 -12.722 -1.331 0.360 1.00 0.00 C ATOM 70 CG GLU A 5 -11.549 -2.317 0.277 1.00 0.00 C ATOM 71 CD GLU A 5 -12.041 -3.749 0.148 1.00 0.00 C ATOM 72 OE1 GLU A 5 -12.287 -4.377 1.199 1.00 0.00 O ATOM 73 OE2 GLU A 5 -12.177 -4.177 -1.018 1.00 0.00 O ATOM 0 H GLU A 5 -13.446 0.147 -1.488 1.00 0.00 H new ATOM 0 HA GLU A 5 -12.727 0.596 1.205 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -13.256 -1.505 1.294 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.418 -1.550 -0.450 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -10.921 -2.067 -0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -10.928 -2.222 1.167 1.00 0.00 H new ATOM 80 N LEU A 6 -10.164 0.192 -0.861 1.00 0.00 N ATOM 81 CA LEU A 6 -8.725 0.385 -1.012 1.00 0.00 C ATOM 82 C LEU A 6 -8.401 1.846 -0.696 1.00 0.00 C ATOM 83 O LEU A 6 -7.631 2.131 0.216 1.00 0.00 O ATOM 84 CB LEU A 6 -8.255 -0.068 -2.403 1.00 0.00 C ATOM 85 CG LEU A 6 -8.704 -1.497 -2.767 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.282 -1.836 -4.196 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.106 -2.544 -1.826 1.00 0.00 C ATOM 0 H LEU A 6 -10.620 -0.147 -1.708 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.172 -0.239 -0.309 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.637 0.626 -3.151 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.167 -0.015 -2.446 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.790 -1.520 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.605 -2.848 -4.440 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -8.742 -1.131 -4.888 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.197 -1.771 -4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.449 -3.536 -2.120 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.018 -2.505 -1.883 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.424 -2.338 -0.804 1.00 0.00 H new ATOM 99 N LYS A 7 -9.008 2.771 -1.438 1.00 0.00 N ATOM 100 CA LYS A 7 -8.981 4.199 -1.245 1.00 0.00 C ATOM 101 C LYS A 7 -9.010 4.582 0.240 1.00 0.00 C ATOM 102 O LYS A 7 -8.134 5.306 0.708 1.00 0.00 O ATOM 103 CB LYS A 7 -10.141 4.788 -2.080 1.00 0.00 C ATOM 104 CG LYS A 7 -10.058 6.265 -2.477 1.00 0.00 C ATOM 105 CD LYS A 7 -11.291 6.652 -3.304 1.00 0.00 C ATOM 106 CE LYS A 7 -11.231 8.113 -3.768 1.00 0.00 C ATOM 107 NZ LYS A 7 -10.103 8.359 -4.686 1.00 0.00 N ATOM 0 H LYS A 7 -9.571 2.510 -2.248 1.00 0.00 H new ATOM 0 HA LYS A 7 -8.042 4.628 -1.595 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.228 4.200 -2.994 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.064 4.643 -1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.997 6.888 -1.585 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.151 6.445 -3.054 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -11.366 5.998 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -12.191 6.496 -2.709 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.165 8.373 -4.265 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -11.139 8.765 -2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -10.206 9.299 -5.118 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.209 8.317 -4.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.098 7.634 -5.432 1.00 0.00 H new ATOM 121 N GLY A 8 -9.995 4.094 0.996 1.00 0.00 N ATOM 122 CA GLY A 8 -10.082 4.414 2.411 1.00 0.00 C ATOM 123 C GLY A 8 -8.912 3.795 3.173 1.00 0.00 C ATOM 124 O GLY A 8 -8.200 4.478 3.908 1.00 0.00 O ATOM 0 H GLY A 8 -10.734 3.482 0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.080 5.496 2.546 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.024 4.044 2.816 1.00 0.00 H new ATOM 128 N ILE A 9 -8.717 2.491 2.990 1.00 0.00 N ATOM 129 CA ILE A 9 -7.688 1.693 3.637 1.00 0.00 C ATOM 130 C ILE A 9 -6.291 2.302 3.479 1.00 0.00 C ATOM 131 O ILE A 9 -5.531 2.301 4.447 1.00 0.00 O ATOM 132 CB ILE A 9 -7.803 0.242 3.141 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.073 -0.421 3.711 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.557 -0.600 3.429 1.00 0.00 C ATOM 135 CD1 ILE A 9 -8.966 -0.868 5.175 1.00 0.00 C ATOM 0 H ILE A 9 -9.299 1.941 2.358 1.00 0.00 H new ATOM 0 HA ILE A 9 -7.848 1.690 4.715 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.883 0.287 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.903 0.279 3.620 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.319 -1.288 3.098 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.707 -1.612 3.053 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.694 -0.153 2.935 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.382 -0.635 4.504 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -9.907 -1.322 5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.161 -1.596 5.275 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -8.754 -0.004 5.805 1.00 0.00 H new ATOM 147 N PHE A 10 -5.938 2.827 2.299 1.00 0.00 N ATOM 148 CA PHE A 10 -4.632 3.450 2.098 1.00 0.00 C ATOM 149 C PHE A 10 -4.437 4.529 3.161 1.00 0.00 C ATOM 150 O PHE A 10 -3.459 4.511 3.903 1.00 0.00 O ATOM 151 CB PHE A 10 -4.521 4.088 0.704 1.00 0.00 C ATOM 152 CG PHE A 10 -3.269 4.933 0.525 1.00 0.00 C ATOM 153 CD1 PHE A 10 -2.017 4.314 0.353 1.00 0.00 C ATOM 154 CD2 PHE A 10 -3.300 6.276 0.949 1.00 0.00 C ATOM 155 CE1 PHE A 10 -0.843 5.025 0.658 1.00 0.00 C ATOM 156 CE2 PHE A 10 -2.177 6.812 1.597 1.00 0.00 C ATOM 157 CZ PHE A 10 -0.928 6.209 1.406 1.00 0.00 C ATOM 0 H PHE A 10 -6.539 2.831 1.475 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.864 2.681 2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.530 3.301 -0.050 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.399 4.710 0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.958 3.299 -0.011 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -4.176 6.884 0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.116 4.663 0.319 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.275 7.678 2.235 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.039 6.651 1.830 1.00 0.00 H new ATOM 167 N GLU A 11 -5.388 5.464 3.227 1.00 0.00 N ATOM 168 CA GLU A 11 -5.337 6.576 4.157 1.00 0.00 C ATOM 169 C GLU A 11 -5.345 6.044 5.592 1.00 0.00 C ATOM 170 O GLU A 11 -4.571 6.492 6.437 1.00 0.00 O ATOM 171 CB GLU A 11 -6.519 7.521 3.882 1.00 0.00 C ATOM 172 CG GLU A 11 -6.189 8.975 4.260 1.00 0.00 C ATOM 173 CD GLU A 11 -5.269 9.686 3.262 1.00 0.00 C ATOM 174 OE1 GLU A 11 -4.934 9.071 2.225 1.00 0.00 O ATOM 175 OE2 GLU A 11 -4.946 10.861 3.545 1.00 0.00 O ATOM 0 H GLU A 11 -6.216 5.464 2.631 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.417 7.145 4.023 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.786 7.472 2.826 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.390 7.188 4.447 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.119 9.537 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.719 8.986 5.243 1.00 0.00 H new ATOM 182 N LYS A 12 -6.229 5.074 5.853 1.00 0.00 N ATOM 183 CA LYS A 12 -6.393 4.449 7.153 1.00 0.00 C ATOM 184 C LYS A 12 -5.034 3.971 7.663 1.00 0.00 C ATOM 185 O LYS A 12 -4.624 4.369 8.749 1.00 0.00 O ATOM 186 CB LYS A 12 -7.445 3.326 7.068 1.00 0.00 C ATOM 187 CG LYS A 12 -8.255 3.120 8.356 1.00 0.00 C ATOM 188 CD LYS A 12 -7.466 2.548 9.543 1.00 0.00 C ATOM 189 CE LYS A 12 -6.809 1.190 9.255 1.00 0.00 C ATOM 190 NZ LYS A 12 -7.770 0.203 8.733 1.00 0.00 N ATOM 0 H LYS A 12 -6.860 4.700 5.145 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.770 5.169 7.880 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.133 3.549 6.252 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.943 2.392 6.815 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -8.683 4.077 8.653 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -9.088 2.452 8.139 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -6.693 3.261 9.831 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.137 2.443 10.396 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -6.002 1.325 8.534 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -6.358 0.806 10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -7.292 -0.711 8.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -8.553 0.091 9.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.144 0.532 7.820 1.00 0.00 H new ATOM 204 N TYR A 13 -4.321 3.137 6.896 1.00 0.00 N ATOM 205 CA TYR A 13 -3.017 2.675 7.337 1.00 0.00 C ATOM 206 C TYR A 13 -2.003 3.805 7.328 1.00 0.00 C ATOM 207 O TYR A 13 -1.286 3.952 8.312 1.00 0.00 O ATOM 208 CB TYR A 13 -2.540 1.455 6.554 1.00 0.00 C ATOM 209 CG TYR A 13 -3.122 0.182 7.118 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.443 -0.154 6.787 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.390 -0.624 8.013 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.033 -1.300 7.331 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.029 -1.704 8.647 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.338 -2.059 8.283 1.00 0.00 C ATOM 215 OH TYR A 13 -4.944 -3.132 8.855 1.00 0.00 O ATOM 0 H TYR A 13 -4.623 2.780 5.989 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.120 2.345 8.371 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.827 1.557 5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.452 1.404 6.583 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.006 0.473 6.111 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.349 -0.414 8.210 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.022 -1.599 7.018 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.513 -2.261 9.415 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.263 -3.756 9.182 1.00 0.00 H new ATOM 225 N ALA A 14 -1.931 4.605 6.258 1.00 0.00 N ATOM 226 CA ALA A 14 -0.972 5.701 6.201 1.00 0.00 C ATOM 227 C ALA A 14 -0.992 6.552 7.476 1.00 0.00 C ATOM 228 O ALA A 14 0.057 6.963 7.961 1.00 0.00 O ATOM 229 CB ALA A 14 -1.265 6.540 4.965 1.00 0.00 C ATOM 0 H ALA A 14 -2.521 4.512 5.431 1.00 0.00 H new ATOM 0 HA ALA A 14 0.034 5.288 6.132 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.555 7.365 4.909 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.172 5.920 4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.278 6.937 5.027 1.00 0.00 H new ATOM 235 N ALA A 15 -2.181 6.806 8.025 1.00 0.00 N ATOM 236 CA ALA A 15 -2.362 7.625 9.213 1.00 0.00 C ATOM 237 C ALA A 15 -1.927 6.976 10.535 1.00 0.00 C ATOM 238 O ALA A 15 -1.869 7.687 11.533 1.00 0.00 O ATOM 239 CB ALA A 15 -3.831 8.053 9.289 1.00 0.00 C ATOM 0 H ALA A 15 -3.055 6.441 7.647 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.695 8.480 9.100 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.985 8.669 10.175 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.089 8.627 8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.465 7.168 9.347 1.00 0.00 H new ATOM 245 N LYS A 16 -1.643 5.667 10.601 1.00 0.00 N ATOM 246 CA LYS A 16 -1.269 5.041 11.869 1.00 0.00 C ATOM 247 C LYS A 16 -0.014 5.656 12.496 1.00 0.00 C ATOM 248 O LYS A 16 -0.056 6.151 13.619 1.00 0.00 O ATOM 249 CB LYS A 16 -1.084 3.523 11.702 1.00 0.00 C ATOM 250 CG LYS A 16 -1.867 2.715 12.742 1.00 0.00 C ATOM 251 CD LYS A 16 -3.391 2.753 12.563 1.00 0.00 C ATOM 252 CE LYS A 16 -3.823 2.338 11.155 1.00 0.00 C ATOM 253 NZ LYS A 16 -3.319 1.004 10.785 1.00 0.00 N ATOM 0 H LYS A 16 -1.665 5.033 9.802 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.096 5.231 12.553 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.405 3.230 10.703 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -0.025 3.279 11.781 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.535 1.678 12.702 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.621 3.091 13.735 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.857 2.091 13.293 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.753 3.760 12.769 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.911 2.342 11.096 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.462 3.073 10.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.665 0.753 9.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.279 1.014 10.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.656 0.302 11.474 1.00 0.00 H new ATOM 267 N GLU A 17 1.105 5.584 11.774 1.00 0.00 N ATOM 268 CA GLU A 17 2.413 6.059 12.206 1.00 0.00 C ATOM 269 C GLU A 17 2.956 7.071 11.200 1.00 0.00 C ATOM 270 O GLU A 17 3.508 8.099 11.580 1.00 0.00 O ATOM 271 CB GLU A 17 3.346 4.843 12.343 1.00 0.00 C ATOM 272 CG GLU A 17 4.705 5.181 12.973 1.00 0.00 C ATOM 273 CD GLU A 17 4.577 5.638 14.424 1.00 0.00 C ATOM 274 OE1 GLU A 17 4.104 4.816 15.238 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.960 6.797 14.694 1.00 0.00 O ATOM 0 H GLU A 17 1.122 5.178 10.839 1.00 0.00 H new ATOM 0 HA GLU A 17 2.341 6.563 13.170 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.853 4.083 12.949 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.510 4.408 11.357 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.352 4.305 12.927 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.188 5.965 12.389 1.00 0.00 H new ATOM 282 N GLY A 18 2.813 6.771 9.909 1.00 0.00 N ATOM 283 CA GLY A 18 3.281 7.646 8.852 1.00 0.00 C ATOM 284 C GLY A 18 2.374 8.866 8.689 1.00 0.00 C ATOM 285 O GLY A 18 1.411 9.072 9.426 1.00 0.00 O ATOM 0 H GLY A 18 2.370 5.915 9.575 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.297 7.974 9.073 1.00 0.00 H new ATOM 0 HA3 GLY A 18 3.322 7.094 7.913 1.00 0.00 H new ATOM 289 N ASP A 19 2.688 9.693 7.691 1.00 0.00 N ATOM 290 CA ASP A 19 1.879 10.854 7.358 1.00 0.00 C ATOM 291 C ASP A 19 0.615 10.305 6.683 1.00 0.00 C ATOM 292 O ASP A 19 0.738 9.329 5.950 1.00 0.00 O ATOM 293 CB ASP A 19 2.680 11.749 6.400 1.00 0.00 C ATOM 294 CG ASP A 19 1.871 12.935 5.893 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.008 12.700 5.019 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.112 14.051 6.401 1.00 0.00 O ATOM 0 H ASP A 19 3.508 9.573 7.096 1.00 0.00 H new ATOM 0 HA ASP A 19 1.614 11.453 8.229 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.572 12.114 6.910 1.00 0.00 H new ATOM 0 HB3 ASP A 19 3.018 11.155 5.551 1.00 0.00 H new ATOM 301 N PRO A 20 -0.582 10.882 6.875 1.00 0.00 N ATOM 302 CA PRO A 20 -1.808 10.389 6.253 1.00 0.00 C ATOM 303 C PRO A 20 -1.700 10.113 4.746 1.00 0.00 C ATOM 304 O PRO A 20 -2.418 9.261 4.237 1.00 0.00 O ATOM 305 CB PRO A 20 -2.901 11.410 6.594 1.00 0.00 C ATOM 306 CG PRO A 20 -2.135 12.642 7.078 1.00 0.00 C ATOM 307 CD PRO A 20 -0.873 12.044 7.696 1.00 0.00 C ATOM 0 HA PRO A 20 -2.044 9.403 6.652 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.515 11.641 5.723 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.572 11.031 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -1.900 13.319 6.257 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -2.709 13.213 7.807 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.048 12.756 7.682 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.035 11.764 8.737 1.00 0.00 H new ATOM 315 N ASN A 21 -0.817 10.803 4.018 1.00 0.00 N ATOM 316 CA ASN A 21 -0.622 10.592 2.591 1.00 0.00 C ATOM 317 C ASN A 21 0.419 9.501 2.291 1.00 0.00 C ATOM 318 O ASN A 21 0.447 9.008 1.164 1.00 0.00 O ATOM 319 CB ASN A 21 -0.216 11.929 1.960 1.00 0.00 C ATOM 320 CG ASN A 21 0.226 11.771 0.510 1.00 0.00 C ATOM 321 OD1 ASN A 21 -0.577 11.564 -0.389 1.00 0.00 O ATOM 322 ND2 ASN A 21 1.521 11.862 0.253 1.00 0.00 N ATOM 0 H ASN A 21 -0.216 11.528 4.410 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.557 10.236 2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.056 12.622 2.008 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.595 12.371 2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.860 11.759 -0.704 1.00 0.00 H new ATOM 0 HD22 ASN A 21 2.181 12.035 1.012 1.00 0.00 H new ATOM 329 N GLN A 22 1.272 9.115 3.254 1.00 0.00 N ATOM 330 CA GLN A 22 2.347 8.146 3.052 1.00 0.00 C ATOM 331 C GLN A 22 2.252 6.852 3.871 1.00 0.00 C ATOM 332 O GLN A 22 2.064 6.868 5.081 1.00 0.00 O ATOM 333 CB GLN A 22 3.717 8.763 3.366 1.00 0.00 C ATOM 334 CG GLN A 22 4.295 9.687 2.286 1.00 0.00 C ATOM 335 CD GLN A 22 4.256 11.133 2.750 1.00 0.00 C ATOM 336 OE1 GLN A 22 3.392 11.907 2.359 1.00 0.00 O ATOM 337 NE2 GLN A 22 5.192 11.521 3.602 1.00 0.00 N ATOM 0 H GLN A 22 1.228 9.476 4.207 1.00 0.00 H new ATOM 0 HA GLN A 22 2.233 7.880 2.001 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.636 9.327 4.295 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.426 7.955 3.544 1.00 0.00 H new ATOM 0 HG2 GLN A 22 5.322 9.398 2.062 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.725 9.579 1.363 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.903 10.860 3.915 1.00 0.00 H new ATOM 0 HE22 GLN A 22 5.203 12.481 3.946 1.00 0.00 H new ATOM 346 N LEU A 23 2.457 5.721 3.193 1.00 0.00 N ATOM 347 CA LEU A 23 2.531 4.394 3.792 1.00 0.00 C ATOM 348 C LEU A 23 4.005 4.054 4.000 1.00 0.00 C ATOM 349 O LEU A 23 4.687 3.709 3.040 1.00 0.00 O ATOM 350 CB LEU A 23 1.957 3.353 2.828 1.00 0.00 C ATOM 351 CG LEU A 23 0.467 3.064 2.973 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.065 2.085 1.861 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.096 2.427 4.313 1.00 0.00 C ATOM 0 H LEU A 23 2.579 5.707 2.180 1.00 0.00 H new ATOM 0 HA LEU A 23 1.973 4.386 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.145 3.688 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.504 2.420 2.963 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.055 4.019 2.910 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.999 1.860 1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.269 2.535 0.889 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.639 1.164 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.979 2.249 4.346 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.624 1.480 4.424 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.378 3.097 5.125 1.00 0.00 H new ATOM 365 N SER A 24 4.529 4.126 5.220 1.00 0.00 N ATOM 366 CA SER A 24 5.932 3.778 5.443 1.00 0.00 C ATOM 367 C SER A 24 6.149 2.296 5.124 1.00 0.00 C ATOM 368 O SER A 24 5.182 1.546 5.043 1.00 0.00 O ATOM 369 CB SER A 24 6.367 4.122 6.873 1.00 0.00 C ATOM 370 OG SER A 24 5.785 3.235 7.809 1.00 0.00 O ATOM 0 H SER A 24 4.018 4.415 6.054 1.00 0.00 H new ATOM 0 HA SER A 24 6.557 4.370 4.774 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.453 4.073 6.948 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.077 5.146 7.108 1.00 0.00 H new ATOM 0 HG SER A 24 6.079 3.474 8.713 1.00 0.00 H new ATOM 376 N LYS A 25 7.396 1.848 4.956 1.00 0.00 N ATOM 377 CA LYS A 25 7.688 0.430 4.740 1.00 0.00 C ATOM 378 C LYS A 25 7.015 -0.379 5.851 1.00 0.00 C ATOM 379 O LYS A 25 6.311 -1.361 5.613 1.00 0.00 O ATOM 380 CB LYS A 25 9.215 0.258 4.640 1.00 0.00 C ATOM 381 CG LYS A 25 9.777 -1.166 4.800 1.00 0.00 C ATOM 382 CD LYS A 25 9.907 -1.712 6.231 1.00 0.00 C ATOM 383 CE LYS A 25 10.662 -0.755 7.162 1.00 0.00 C ATOM 384 NZ LYS A 25 10.876 -1.359 8.488 1.00 0.00 N ATOM 0 H LYS A 25 8.220 2.449 4.966 1.00 0.00 H new ATOM 0 HA LYS A 25 7.280 0.050 3.804 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.535 0.640 3.670 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.676 0.890 5.399 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.140 -1.846 4.235 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.763 -1.194 4.336 1.00 0.00 H new ATOM 0 HD2 LYS A 25 8.912 -1.898 6.637 1.00 0.00 H new ATOM 0 HD3 LYS A 25 10.425 -2.671 6.204 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.623 -0.495 6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.099 0.172 7.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.389 -0.689 9.096 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.957 -1.584 8.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.434 -2.231 8.386 1.00 0.00 H new ATOM 398 N GLU A 26 7.224 0.087 7.079 1.00 0.00 N ATOM 399 CA GLU A 26 6.622 -0.479 8.274 1.00 0.00 C ATOM 400 C GLU A 26 5.094 -0.483 8.123 1.00 0.00 C ATOM 401 O GLU A 26 4.443 -1.493 8.368 1.00 0.00 O ATOM 402 CB GLU A 26 7.083 0.336 9.491 1.00 0.00 C ATOM 403 CG GLU A 26 6.522 -0.204 10.812 1.00 0.00 C ATOM 404 CD GLU A 26 7.013 0.631 11.990 1.00 0.00 C ATOM 405 OE1 GLU A 26 6.530 1.778 12.108 1.00 0.00 O ATOM 406 OE2 GLU A 26 7.874 0.116 12.735 1.00 0.00 O ATOM 0 H GLU A 26 7.830 0.885 7.271 1.00 0.00 H new ATOM 0 HA GLU A 26 6.938 -1.512 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.172 0.331 9.535 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.773 1.374 9.367 1.00 0.00 H new ATOM 0 HG2 GLU A 26 5.432 -0.193 10.781 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.826 -1.242 10.944 1.00 0.00 H new ATOM 413 N GLU A 27 4.509 0.646 7.718 1.00 0.00 N ATOM 414 CA GLU A 27 3.067 0.757 7.553 1.00 0.00 C ATOM 415 C GLU A 27 2.529 -0.242 6.521 1.00 0.00 C ATOM 416 O GLU A 27 1.528 -0.918 6.766 1.00 0.00 O ATOM 417 CB GLU A 27 2.707 2.203 7.181 1.00 0.00 C ATOM 418 CG GLU A 27 1.335 2.625 7.699 1.00 0.00 C ATOM 419 CD GLU A 27 1.389 2.991 9.177 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.666 4.179 9.457 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.181 2.074 9.997 1.00 0.00 O ATOM 0 H GLU A 27 5.021 1.500 7.498 1.00 0.00 H new ATOM 0 HA GLU A 27 2.588 0.505 8.499 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.464 2.876 7.583 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.729 2.310 6.097 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.974 3.478 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.622 1.814 7.549 1.00 0.00 H new ATOM 428 N LEU A 28 3.190 -0.344 5.364 1.00 0.00 N ATOM 429 CA LEU A 28 2.784 -1.257 4.314 1.00 0.00 C ATOM 430 C LEU A 28 2.751 -2.676 4.870 1.00 0.00 C ATOM 431 O LEU A 28 1.829 -3.428 4.571 1.00 0.00 O ATOM 432 CB LEU A 28 3.754 -1.150 3.129 1.00 0.00 C ATOM 433 CG LEU A 28 3.312 -1.987 1.914 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.037 -1.440 1.260 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.427 -2.029 0.866 1.00 0.00 C ATOM 0 H LEU A 28 4.018 0.207 5.138 1.00 0.00 H new ATOM 0 HA LEU A 28 1.787 -0.998 3.959 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.842 -0.105 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.745 -1.475 3.447 1.00 0.00 H new ATOM 0 HG LEU A 28 3.100 -2.990 2.284 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.768 -2.065 0.409 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.224 -1.446 1.986 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.212 -0.419 0.920 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.102 -2.624 0.012 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.655 -1.015 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.319 -2.478 1.302 1.00 0.00 H new ATOM 447 N LYS A 29 3.748 -3.041 5.683 1.00 0.00 N ATOM 448 CA LYS A 29 3.820 -4.378 6.258 1.00 0.00 C ATOM 449 C LYS A 29 2.488 -4.733 6.919 1.00 0.00 C ATOM 450 O LYS A 29 1.795 -5.640 6.461 1.00 0.00 O ATOM 451 CB LYS A 29 4.991 -4.489 7.242 1.00 0.00 C ATOM 452 CG LYS A 29 5.102 -5.868 7.900 1.00 0.00 C ATOM 453 CD LYS A 29 5.646 -6.907 6.911 1.00 0.00 C ATOM 454 CE LYS A 29 5.754 -8.306 7.525 1.00 0.00 C ATOM 455 NZ LYS A 29 6.726 -8.352 8.632 1.00 0.00 N ATOM 0 H LYS A 29 4.514 -2.425 5.955 1.00 0.00 H new ATOM 0 HA LYS A 29 4.004 -5.098 5.460 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.920 -4.269 6.716 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.877 -3.732 8.018 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.758 -5.809 8.768 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.123 -6.182 8.261 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.995 -6.947 6.038 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.629 -6.591 6.562 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.775 -8.618 7.889 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.049 -9.018 6.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.855 -9.337 8.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.637 -7.967 8.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 6.372 -7.784 9.428 1.00 0.00 H new ATOM 469 N LEU A 30 2.133 -4.024 7.994 1.00 0.00 N ATOM 470 CA LEU A 30 0.879 -4.240 8.700 1.00 0.00 C ATOM 471 C LEU A 30 -0.307 -4.248 7.729 1.00 0.00 C ATOM 472 O LEU A 30 -1.164 -5.126 7.812 1.00 0.00 O ATOM 473 CB LEU A 30 0.647 -3.243 9.850 1.00 0.00 C ATOM 474 CG LEU A 30 1.651 -2.104 10.071 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.000 -1.013 10.931 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.897 -2.605 10.805 1.00 0.00 C ATOM 0 H LEU A 30 2.711 -3.285 8.395 1.00 0.00 H new ATOM 0 HA LEU A 30 0.957 -5.224 9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.333 -2.791 9.699 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.594 -3.817 10.775 1.00 0.00 H new ATOM 0 HG LEU A 30 1.939 -1.713 9.095 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.711 -0.202 11.090 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.117 -0.627 10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.709 -1.434 11.893 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.592 -1.778 10.949 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.609 -3.010 11.775 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.378 -3.385 10.215 1.00 0.00 H new ATOM 488 N LEU A 31 -0.364 -3.281 6.809 1.00 0.00 N ATOM 489 CA LEU A 31 -1.439 -3.185 5.826 1.00 0.00 C ATOM 490 C LEU A 31 -1.639 -4.517 5.096 1.00 0.00 C ATOM 491 O LEU A 31 -2.723 -5.109 5.113 1.00 0.00 O ATOM 492 CB LEU A 31 -1.109 -2.071 4.819 1.00 0.00 C ATOM 493 CG LEU A 31 -2.326 -1.422 4.143 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.876 -0.653 2.905 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.436 -2.380 3.741 1.00 0.00 C ATOM 0 H LEU A 31 0.336 -2.544 6.727 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.368 -2.947 6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.541 -1.295 5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.460 -2.482 4.046 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.753 -0.767 4.903 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.741 -0.194 2.427 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.168 0.123 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.397 -1.338 2.206 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.247 -1.822 3.273 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.046 -3.113 3.035 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.812 -2.893 4.626 1.00 0.00 H new ATOM 507 N LEU A 32 -0.573 -4.985 4.448 1.00 0.00 N ATOM 508 CA LEU A 32 -0.616 -6.197 3.649 1.00 0.00 C ATOM 509 C LEU A 32 -0.958 -7.390 4.523 1.00 0.00 C ATOM 510 O LEU A 32 -1.773 -8.229 4.153 1.00 0.00 O ATOM 511 CB LEU A 32 0.703 -6.431 2.907 1.00 0.00 C ATOM 512 CG LEU A 32 1.077 -5.302 1.938 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.438 -5.612 1.307 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.034 -5.063 0.837 1.00 0.00 C ATOM 0 H LEU A 32 0.341 -4.532 4.465 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.396 -6.075 2.897 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.503 -6.551 3.637 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.636 -7.366 2.352 1.00 0.00 H new ATOM 0 HG LEU A 32 1.118 -4.383 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.710 -4.813 0.617 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.193 -5.688 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.381 -6.556 0.765 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.367 -4.251 0.191 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.086 -5.971 0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.920 -4.797 1.291 1.00 0.00 H new ATOM 526 N GLN A 33 -0.340 -7.451 5.695 1.00 0.00 N ATOM 527 CA GLN A 33 -0.543 -8.517 6.644 1.00 0.00 C ATOM 528 C GLN A 33 -2.013 -8.583 7.068 1.00 0.00 C ATOM 529 O GLN A 33 -2.556 -9.674 7.213 1.00 0.00 O ATOM 530 CB GLN A 33 0.383 -8.228 7.826 1.00 0.00 C ATOM 531 CG GLN A 33 1.788 -8.849 7.743 1.00 0.00 C ATOM 532 CD GLN A 33 2.313 -9.150 6.339 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.497 -10.300 5.968 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.578 -8.145 5.524 1.00 0.00 N ATOM 0 H GLN A 33 0.326 -6.745 6.010 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.308 -9.490 6.213 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.489 -7.148 7.924 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.098 -8.585 8.736 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.490 -8.175 8.234 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.786 -9.777 8.314 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.425 -7.185 5.832 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.936 -8.329 4.587 1.00 0.00 H new ATOM 543 N THR A 34 -2.658 -7.433 7.274 1.00 0.00 N ATOM 544 CA THR A 34 -4.046 -7.420 7.709 1.00 0.00 C ATOM 545 C THR A 34 -5.014 -7.874 6.612 1.00 0.00 C ATOM 546 O THR A 34 -5.827 -8.760 6.862 1.00 0.00 O ATOM 547 CB THR A 34 -4.474 -6.039 8.238 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.532 -5.482 9.138 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.810 -6.173 8.985 1.00 0.00 C ATOM 0 H THR A 34 -2.242 -6.510 7.147 1.00 0.00 H new ATOM 0 HA THR A 34 -4.100 -8.140 8.526 1.00 0.00 H new ATOM 0 HB THR A 34 -4.556 -5.381 7.373 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.697 -5.291 8.661 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.116 -5.197 9.361 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.571 -6.554 8.304 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.692 -6.863 9.821 1.00 0.00 H new ATOM 557 N GLU A 35 -4.970 -7.251 5.425 1.00 0.00 N ATOM 558 CA GLU A 35 -5.969 -7.514 4.384 1.00 0.00 C ATOM 559 C GLU A 35 -5.466 -8.064 3.046 1.00 0.00 C ATOM 560 O GLU A 35 -6.303 -8.384 2.207 1.00 0.00 O ATOM 561 CB GLU A 35 -6.749 -6.218 4.127 1.00 0.00 C ATOM 562 CG GLU A 35 -7.419 -5.646 5.384 1.00 0.00 C ATOM 563 CD GLU A 35 -8.327 -4.461 5.066 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.189 -3.907 3.952 1.00 0.00 O ATOM 565 OE2 GLU A 35 -9.137 -4.120 5.953 1.00 0.00 O ATOM 0 H GLU A 35 -4.259 -6.567 5.165 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.579 -8.323 4.787 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -6.071 -5.471 3.715 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -7.512 -6.407 3.372 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -8.002 -6.428 5.870 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.652 -5.334 6.092 1.00 0.00 H new ATOM 572 N PHE A 36 -4.158 -8.181 2.807 1.00 0.00 N ATOM 573 CA PHE A 36 -3.645 -8.641 1.515 1.00 0.00 C ATOM 574 C PHE A 36 -2.602 -9.755 1.641 1.00 0.00 C ATOM 575 O PHE A 36 -1.504 -9.597 1.117 1.00 0.00 O ATOM 576 CB PHE A 36 -3.067 -7.452 0.724 1.00 0.00 C ATOM 577 CG PHE A 36 -3.983 -6.252 0.562 1.00 0.00 C ATOM 578 CD1 PHE A 36 -4.170 -5.356 1.631 1.00 0.00 C ATOM 579 CD2 PHE A 36 -4.656 -6.031 -0.654 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.087 -4.298 1.511 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.555 -4.958 -0.779 1.00 0.00 C ATOM 582 CZ PHE A 36 -5.772 -4.095 0.307 1.00 0.00 C ATOM 0 H PHE A 36 -3.434 -7.963 3.492 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.489 -9.070 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.153 -7.122 1.218 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.784 -7.804 -0.268 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.608 -5.482 2.545 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -4.481 -6.688 -1.493 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -5.264 -3.640 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.079 -4.797 -1.710 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.468 -3.274 0.214 1.00 0.00 H new ATOM 592 N PRO A 37 -2.905 -10.886 2.297 1.00 0.00 N ATOM 593 CA PRO A 37 -1.959 -11.984 2.398 1.00 0.00 C ATOM 594 C PRO A 37 -1.785 -12.679 1.038 1.00 0.00 C ATOM 595 O PRO A 37 -0.671 -12.851 0.555 1.00 0.00 O ATOM 596 CB PRO A 37 -2.545 -12.919 3.461 1.00 0.00 C ATOM 597 CG PRO A 37 -4.053 -12.661 3.403 1.00 0.00 C ATOM 598 CD PRO A 37 -4.151 -11.193 2.982 1.00 0.00 C ATOM 0 HA PRO A 37 -0.960 -11.651 2.681 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.311 -13.962 3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.142 -12.699 4.450 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.545 -13.318 2.685 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.527 -12.833 4.369 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.006 -11.032 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -4.288 -10.547 3.849 1.00 0.00 H new ATOM 606 N SER A 38 -2.893 -13.090 0.419 1.00 0.00 N ATOM 607 CA SER A 38 -2.942 -13.802 -0.849 1.00 0.00 C ATOM 608 C SER A 38 -2.891 -12.863 -2.055 1.00 0.00 C ATOM 609 O SER A 38 -2.168 -13.113 -3.018 1.00 0.00 O ATOM 610 CB SER A 38 -4.240 -14.610 -0.836 1.00 0.00 C ATOM 611 OG SER A 38 -5.311 -13.740 -0.502 1.00 0.00 O ATOM 0 H SER A 38 -3.821 -12.926 0.810 1.00 0.00 H new ATOM 0 HA SER A 38 -2.068 -14.445 -0.951 1.00 0.00 H new ATOM 0 HB2 SER A 38 -4.412 -15.065 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.173 -15.423 -0.113 1.00 0.00 H new ATOM 0 HG SER A 38 -6.151 -14.244 -0.491 1.00 0.00 H new ATOM 617 N LEU A 39 -3.670 -11.781 -1.997 1.00 0.00 N ATOM 618 CA LEU A 39 -3.846 -10.748 -2.995 1.00 0.00 C ATOM 619 C LEU A 39 -2.553 -10.216 -3.616 1.00 0.00 C ATOM 620 O LEU A 39 -2.585 -9.649 -4.702 1.00 0.00 O ATOM 621 CB LEU A 39 -4.614 -9.629 -2.303 1.00 0.00 C ATOM 622 CG LEU A 39 -6.070 -9.968 -1.920 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.747 -8.722 -1.340 1.00 0.00 C ATOM 624 CD2 LEU A 39 -6.895 -10.452 -3.120 1.00 0.00 C ATOM 0 H LEU A 39 -4.241 -11.598 -1.172 1.00 0.00 H new ATOM 0 HA LEU A 39 -4.379 -11.173 -3.846 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -4.075 -9.345 -1.399 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.621 -8.757 -2.957 1.00 0.00 H new ATOM 0 HG LEU A 39 -6.030 -10.774 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.776 -8.960 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.205 -8.393 -0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.743 -7.926 -2.084 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -7.911 -10.677 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -6.921 -9.673 -3.882 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.440 -11.351 -3.536 1.00 0.00 H new ATOM 636 N LEU A 40 -1.416 -10.406 -2.948 1.00 0.00 N ATOM 637 CA LEU A 40 -0.117 -10.003 -3.473 1.00 0.00 C ATOM 638 C LEU A 40 0.139 -10.709 -4.809 1.00 0.00 C ATOM 639 O LEU A 40 0.766 -10.123 -5.686 1.00 0.00 O ATOM 640 CB LEU A 40 1.012 -10.408 -2.510 1.00 0.00 C ATOM 641 CG LEU A 40 0.826 -9.943 -1.062 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.036 -10.368 -0.225 1.00 0.00 C ATOM 643 CD2 LEU A 40 0.640 -8.427 -0.967 1.00 0.00 C ATOM 0 H LEU A 40 -1.372 -10.844 -2.028 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.128 -8.920 -3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.104 -11.494 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.952 -10.006 -2.887 1.00 0.00 H new ATOM 0 HG LEU A 40 -0.079 -10.412 -0.677 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.901 -10.036 0.804 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.130 -11.454 -0.247 1.00 0.00 H new ATOM 0 HD13 LEU A 40 2.939 -9.917 -0.636 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.512 -8.141 0.077 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.518 -7.926 -1.375 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.242 -8.132 -1.535 1.00 0.00 H new ATOM 655 N LYS A 41 -0.350 -11.951 -4.950 1.00 0.00 N ATOM 656 CA LYS A 41 -0.224 -12.791 -6.136 1.00 0.00 C ATOM 657 C LYS A 41 1.157 -12.638 -6.792 1.00 0.00 C ATOM 658 O LYS A 41 1.289 -12.361 -7.981 1.00 0.00 O ATOM 659 CB LYS A 41 -1.409 -12.476 -7.053 1.00 0.00 C ATOM 660 CG LYS A 41 -2.711 -13.083 -6.501 1.00 0.00 C ATOM 661 CD LYS A 41 -3.979 -12.627 -7.241 1.00 0.00 C ATOM 662 CE LYS A 41 -4.331 -13.462 -8.482 1.00 0.00 C ATOM 663 NZ LYS A 41 -3.279 -13.455 -9.512 1.00 0.00 N ATOM 0 H LYS A 41 -0.867 -12.412 -4.201 1.00 0.00 H new ATOM 0 HA LYS A 41 -0.270 -13.850 -5.880 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -1.520 -11.396 -7.151 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -1.215 -12.869 -8.051 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.644 -14.170 -6.554 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.804 -12.820 -5.447 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -4.820 -12.659 -6.548 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.854 -11.587 -7.543 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.522 -14.491 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.256 -13.082 -8.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.654 -13.860 -10.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.968 -12.478 -9.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.471 -14.023 -9.187 1.00 0.00 H new ATOM 677 N GLY A 42 2.189 -12.832 -5.974 1.00 0.00 N ATOM 678 CA GLY A 42 3.596 -12.742 -6.314 1.00 0.00 C ATOM 679 C GLY A 42 4.363 -13.188 -5.073 1.00 0.00 C ATOM 680 O GLY A 42 3.739 -13.624 -4.106 1.00 0.00 O ATOM 0 H GLY A 42 2.049 -13.072 -4.993 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.832 -13.378 -7.167 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.865 -11.723 -6.592 1.00 0.00 H new ATOM 684 N GLY A 43 5.693 -13.090 -5.071 1.00 0.00 N ATOM 685 CA GLY A 43 6.469 -13.523 -3.919 1.00 0.00 C ATOM 686 C GLY A 43 7.937 -13.158 -4.076 1.00 0.00 C ATOM 687 O GLY A 43 8.786 -14.035 -4.179 1.00 0.00 O ATOM 0 H GLY A 43 6.245 -12.719 -5.845 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.071 -13.061 -3.015 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.371 -14.602 -3.796 1.00 0.00 H new ATOM 691 N SER A 44 8.229 -11.857 -4.097 1.00 0.00 N ATOM 692 CA SER A 44 9.580 -11.342 -4.203 1.00 0.00 C ATOM 693 C SER A 44 10.094 -11.174 -2.768 1.00 0.00 C ATOM 694 O SER A 44 10.549 -12.135 -2.158 1.00 0.00 O ATOM 695 CB SER A 44 9.522 -10.049 -5.024 1.00 0.00 C ATOM 696 OG SER A 44 8.593 -9.143 -4.450 1.00 0.00 O ATOM 0 H SER A 44 7.519 -11.127 -4.040 1.00 0.00 H new ATOM 0 HA SER A 44 10.277 -11.999 -4.723 1.00 0.00 H new ATOM 0 HB2 SER A 44 10.510 -9.591 -5.064 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.234 -10.275 -6.051 1.00 0.00 H new ATOM 0 HG SER A 44 8.566 -8.321 -4.982 1.00 0.00 H new ATOM 702 N THR A 45 9.984 -9.967 -2.216 1.00 0.00 N ATOM 703 CA THR A 45 10.346 -9.625 -0.851 1.00 0.00 C ATOM 704 C THR A 45 9.628 -8.329 -0.497 1.00 0.00 C ATOM 705 O THR A 45 9.271 -7.551 -1.383 1.00 0.00 O ATOM 706 CB THR A 45 11.859 -9.412 -0.647 1.00 0.00 C ATOM 707 OG1 THR A 45 12.311 -8.386 -1.497 1.00 0.00 O ATOM 708 CG2 THR A 45 12.730 -10.656 -0.840 1.00 0.00 C ATOM 0 H THR A 45 9.623 -9.167 -2.736 1.00 0.00 H new ATOM 0 HA THR A 45 10.057 -10.461 -0.214 1.00 0.00 H new ATOM 0 HB THR A 45 11.970 -9.142 0.403 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.585 -8.770 -2.356 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.776 -10.397 -0.674 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.429 -11.425 -0.129 1.00 0.00 H new ATOM 0 HG23 THR A 45 12.606 -11.033 -1.855 1.00 0.00 H new ATOM 716 N LEU A 46 9.443 -8.088 0.804 1.00 0.00 N ATOM 717 CA LEU A 46 8.850 -6.858 1.307 1.00 0.00 C ATOM 718 C LEU A 46 9.641 -5.675 0.754 1.00 0.00 C ATOM 719 O LEU A 46 9.064 -4.671 0.362 1.00 0.00 O ATOM 720 CB LEU A 46 8.934 -6.849 2.841 1.00 0.00 C ATOM 721 CG LEU A 46 8.376 -5.571 3.498 1.00 0.00 C ATOM 722 CD1 LEU A 46 6.846 -5.518 3.421 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.838 -5.522 4.958 1.00 0.00 C ATOM 0 H LEU A 46 9.704 -8.748 1.537 1.00 0.00 H new ATOM 0 HA LEU A 46 7.807 -6.789 0.998 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.390 -7.710 3.228 1.00 0.00 H new ATOM 0 HB3 LEU A 46 9.976 -6.971 3.137 1.00 0.00 H new ATOM 0 HG LEU A 46 8.756 -4.705 2.957 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.489 -4.603 3.894 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.534 -5.532 2.377 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.426 -6.381 3.937 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.449 -4.621 5.433 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.467 -6.400 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.927 -5.510 4.995 1.00 0.00 H new ATOM 735 N ASP A 47 10.968 -5.816 0.737 1.00 0.00 N ATOM 736 CA ASP A 47 11.923 -4.820 0.314 1.00 0.00 C ATOM 737 C ASP A 47 11.674 -4.515 -1.145 1.00 0.00 C ATOM 738 O ASP A 47 11.361 -3.383 -1.471 1.00 0.00 O ATOM 739 CB ASP A 47 13.354 -5.321 0.553 1.00 0.00 C ATOM 740 CG ASP A 47 13.578 -5.735 2.003 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.120 -6.850 2.340 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.178 -4.931 2.747 1.00 0.00 O ATOM 0 H ASP A 47 11.418 -6.681 1.037 1.00 0.00 H new ATOM 0 HA ASP A 47 11.804 -3.905 0.894 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.556 -6.169 -0.102 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.062 -4.537 0.286 1.00 0.00 H new ATOM 747 N GLU A 48 11.789 -5.509 -2.024 1.00 0.00 N ATOM 748 CA GLU A 48 11.575 -5.303 -3.450 1.00 0.00 C ATOM 749 C GLU A 48 10.205 -4.678 -3.713 1.00 0.00 C ATOM 750 O GLU A 48 10.087 -3.723 -4.476 1.00 0.00 O ATOM 751 CB GLU A 48 11.739 -6.639 -4.177 1.00 0.00 C ATOM 752 CG GLU A 48 13.208 -7.079 -4.120 1.00 0.00 C ATOM 753 CD GLU A 48 13.378 -8.494 -4.661 1.00 0.00 C ATOM 754 OE1 GLU A 48 12.829 -9.405 -4.003 1.00 0.00 O ATOM 755 OE2 GLU A 48 14.024 -8.636 -5.719 1.00 0.00 O ATOM 0 H GLU A 48 12.030 -6.467 -1.770 1.00 0.00 H new ATOM 0 HA GLU A 48 12.317 -4.603 -3.833 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.104 -7.396 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.418 -6.542 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.820 -6.389 -4.700 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.565 -7.034 -3.091 1.00 0.00 H new ATOM 762 N LEU A 49 9.165 -5.211 -3.073 1.00 0.00 N ATOM 763 CA LEU A 49 7.808 -4.720 -3.234 1.00 0.00 C ATOM 764 C LEU A 49 7.712 -3.246 -2.829 1.00 0.00 C ATOM 765 O LEU A 49 7.377 -2.388 -3.643 1.00 0.00 O ATOM 766 CB LEU A 49 6.868 -5.634 -2.434 1.00 0.00 C ATOM 767 CG LEU A 49 5.424 -5.128 -2.377 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.813 -4.974 -3.775 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.576 -6.106 -1.558 1.00 0.00 C ATOM 0 H LEU A 49 9.246 -5.997 -2.428 1.00 0.00 H new ATOM 0 HA LEU A 49 7.505 -4.754 -4.280 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.878 -6.630 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.250 -5.734 -1.418 1.00 0.00 H new ATOM 0 HG LEU A 49 5.434 -4.144 -1.908 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.788 -4.613 -3.686 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.401 -4.260 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.815 -5.939 -4.281 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.547 -5.748 -1.516 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.599 -7.089 -2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.977 -6.177 -0.547 1.00 0.00 H new ATOM 781 N PHE A 50 8.018 -2.943 -1.569 1.00 0.00 N ATOM 782 CA PHE A 50 8.002 -1.601 -1.036 1.00 0.00 C ATOM 783 C PHE A 50 8.931 -0.712 -1.861 1.00 0.00 C ATOM 784 O PHE A 50 8.634 0.458 -2.029 1.00 0.00 O ATOM 785 CB PHE A 50 8.445 -1.661 0.429 1.00 0.00 C ATOM 786 CG PHE A 50 8.899 -0.333 0.969 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.967 0.632 1.378 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.253 0.005 0.821 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.411 1.925 1.709 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.694 1.301 1.135 1.00 0.00 C ATOM 791 CZ PHE A 50 9.775 2.253 1.611 1.00 0.00 C ATOM 0 H PHE A 50 8.289 -3.647 -0.882 1.00 0.00 H new ATOM 0 HA PHE A 50 7.000 -1.175 -1.088 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.618 -2.029 1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.257 -2.382 0.526 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.917 0.384 1.438 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.957 -0.733 0.465 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.701 2.669 2.040 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.734 1.565 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 50 10.117 3.236 1.901 1.00 0.00 H new ATOM 801 N GLU A 51 10.045 -1.234 -2.377 1.00 0.00 N ATOM 802 CA GLU A 51 10.957 -0.426 -3.183 1.00 0.00 C ATOM 803 C GLU A 51 10.310 -0.063 -4.516 1.00 0.00 C ATOM 804 O GLU A 51 10.415 1.081 -4.942 1.00 0.00 O ATOM 805 CB GLU A 51 12.308 -1.121 -3.388 1.00 0.00 C ATOM 806 CG GLU A 51 13.197 -1.010 -2.143 1.00 0.00 C ATOM 807 CD GLU A 51 14.450 -1.868 -2.286 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.378 -3.057 -1.908 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.459 -1.320 -2.782 1.00 0.00 O ATOM 0 H GLU A 51 10.334 -2.204 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 51 11.157 0.496 -2.636 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.144 -2.172 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.820 -0.677 -4.242 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.481 0.031 -1.986 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.636 -1.323 -1.262 1.00 0.00 H new ATOM 816 N GLU A 52 9.630 -1.009 -5.171 1.00 0.00 N ATOM 817 CA GLU A 52 8.936 -0.717 -6.420 1.00 0.00 C ATOM 818 C GLU A 52 7.927 0.392 -6.128 1.00 0.00 C ATOM 819 O GLU A 52 7.811 1.381 -6.846 1.00 0.00 O ATOM 820 CB GLU A 52 8.225 -1.986 -6.921 1.00 0.00 C ATOM 821 CG GLU A 52 7.170 -1.684 -7.998 1.00 0.00 C ATOM 822 CD GLU A 52 6.520 -2.966 -8.509 1.00 0.00 C ATOM 823 OE1 GLU A 52 7.127 -3.593 -9.404 1.00 0.00 O ATOM 824 OE2 GLU A 52 5.432 -3.299 -7.991 1.00 0.00 O ATOM 0 H GLU A 52 9.548 -1.976 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 52 9.631 -0.396 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.965 -2.677 -7.325 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.747 -2.487 -6.079 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.406 -1.024 -7.587 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.636 -1.153 -8.828 1.00 0.00 H new ATOM 831 N LEU A 53 7.186 0.180 -5.047 1.00 0.00 N ATOM 832 CA LEU A 53 6.153 1.067 -4.563 1.00 0.00 C ATOM 833 C LEU A 53 6.691 2.451 -4.169 1.00 0.00 C ATOM 834 O LEU A 53 6.065 3.464 -4.469 1.00 0.00 O ATOM 835 CB LEU A 53 5.494 0.347 -3.381 1.00 0.00 C ATOM 836 CG LEU A 53 4.516 -0.744 -3.837 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.149 -1.595 -2.621 1.00 0.00 C ATOM 838 CD2 LEU A 53 3.233 -0.176 -4.451 1.00 0.00 C ATOM 0 H LEU A 53 7.299 -0.650 -4.465 1.00 0.00 H new ATOM 0 HA LEU A 53 5.430 1.275 -5.352 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.266 -0.099 -2.754 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.963 1.074 -2.766 1.00 0.00 H new ATOM 0 HG LEU A 53 5.009 -1.332 -4.611 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.453 -2.378 -2.922 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.050 -2.049 -2.209 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.681 -0.965 -1.864 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.581 -0.995 -4.754 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.720 0.442 -3.714 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.484 0.430 -5.322 1.00 0.00 H new ATOM 850 N ASP A 54 7.838 2.516 -3.494 1.00 0.00 N ATOM 851 CA ASP A 54 8.445 3.756 -3.038 1.00 0.00 C ATOM 852 C ASP A 54 9.153 4.380 -4.236 1.00 0.00 C ATOM 853 O ASP A 54 10.355 4.196 -4.415 1.00 0.00 O ATOM 854 CB ASP A 54 9.387 3.487 -1.852 1.00 0.00 C ATOM 855 CG ASP A 54 9.974 4.773 -1.271 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.941 5.809 -1.970 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.498 4.718 -0.135 1.00 0.00 O ATOM 0 H ASP A 54 8.379 1.688 -3.246 1.00 0.00 H new ATOM 0 HA ASP A 54 7.698 4.457 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.842 2.955 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.198 2.835 -2.176 1.00 0.00 H new ATOM 862 N LYS A 55 8.369 5.123 -5.023 1.00 0.00 N ATOM 863 CA LYS A 55 8.689 5.825 -6.260 1.00 0.00 C ATOM 864 C LYS A 55 10.156 6.221 -6.409 1.00 0.00 C ATOM 865 O LYS A 55 10.716 6.078 -7.493 1.00 0.00 O ATOM 866 CB LYS A 55 7.783 7.062 -6.316 1.00 0.00 C ATOM 867 CG LYS A 55 7.971 7.909 -7.579 1.00 0.00 C ATOM 868 CD LYS A 55 6.856 8.957 -7.708 1.00 0.00 C ATOM 869 CE LYS A 55 6.784 9.947 -6.537 1.00 0.00 C ATOM 870 NZ LYS A 55 8.045 10.690 -6.349 1.00 0.00 N ATOM 0 H LYS A 55 7.388 5.259 -4.778 1.00 0.00 H new ATOM 0 HA LYS A 55 8.513 5.144 -7.093 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.743 6.742 -6.256 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.977 7.683 -5.441 1.00 0.00 H new ATOM 0 HG2 LYS A 55 8.941 8.406 -7.547 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.972 7.264 -8.457 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.003 9.515 -8.633 1.00 0.00 H new ATOM 0 HD3 LYS A 55 5.898 8.444 -7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.972 10.653 -6.711 1.00 0.00 H new ATOM 0 HE3 LYS A 55 6.545 9.406 -5.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 7.857 11.563 -5.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.720 10.100 -5.821 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 8.448 10.931 -7.277 1.00 0.00 H new ATOM 884 N ASN A 56 10.778 6.727 -5.344 1.00 0.00 N ATOM 885 CA ASN A 56 12.178 7.129 -5.394 1.00 0.00 C ATOM 886 C ASN A 56 12.930 6.864 -4.088 1.00 0.00 C ATOM 887 O ASN A 56 13.874 7.588 -3.784 1.00 0.00 O ATOM 888 CB ASN A 56 12.294 8.587 -5.867 1.00 0.00 C ATOM 889 CG ASN A 56 11.684 9.588 -4.891 1.00 0.00 C ATOM 890 OD1 ASN A 56 10.622 10.145 -5.136 1.00 0.00 O ATOM 891 ND2 ASN A 56 12.334 9.839 -3.766 1.00 0.00 N ATOM 0 H ASN A 56 10.332 6.867 -4.438 1.00 0.00 H new ATOM 0 HA ASN A 56 12.676 6.497 -6.129 1.00 0.00 H new ATOM 0 HB2 ASN A 56 13.346 8.831 -6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.803 8.688 -6.835 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.951 10.502 -3.093 1.00 0.00 H new ATOM 0 HD22 ASN A 56 13.218 9.369 -3.572 1.00 0.00 H new ATOM 898 N GLY A 57 12.541 5.840 -3.318 1.00 0.00 N ATOM 899 CA GLY A 57 13.226 5.506 -2.074 1.00 0.00 C ATOM 900 C GLY A 57 13.242 6.715 -1.140 1.00 0.00 C ATOM 901 O GLY A 57 14.303 7.190 -0.748 1.00 0.00 O ATOM 0 H GLY A 57 11.754 5.231 -3.540 1.00 0.00 H new ATOM 0 HA2 GLY A 57 12.725 4.668 -1.588 1.00 0.00 H new ATOM 0 HA3 GLY A 57 14.247 5.188 -2.286 1.00 0.00 H new ATOM 905 N ASP A 58 12.054 7.213 -0.789 1.00 0.00 N ATOM 906 CA ASP A 58 11.902 8.397 0.050 1.00 0.00 C ATOM 907 C ASP A 58 11.742 8.001 1.512 1.00 0.00 C ATOM 908 O ASP A 58 11.957 8.825 2.395 1.00 0.00 O ATOM 909 CB ASP A 58 10.746 9.285 -0.437 1.00 0.00 C ATOM 910 CG ASP A 58 9.359 8.665 -0.298 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.930 8.468 0.861 1.00 0.00 O ATOM 912 OD2 ASP A 58 8.739 8.432 -1.358 1.00 0.00 O ATOM 0 H ASP A 58 11.168 6.802 -1.082 1.00 0.00 H new ATOM 0 HA ASP A 58 12.811 8.993 -0.032 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.767 10.222 0.120 1.00 0.00 H new ATOM 0 HB3 ASP A 58 10.914 9.533 -1.485 1.00 0.00 H new ATOM 917 N GLY A 59 11.360 6.747 1.758 1.00 0.00 N ATOM 918 CA GLY A 59 11.139 6.228 3.097 1.00 0.00 C ATOM 919 C GLY A 59 9.752 5.607 3.169 1.00 0.00 C ATOM 920 O GLY A 59 9.555 4.629 3.893 1.00 0.00 O ATOM 0 H GLY A 59 11.195 6.061 1.022 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.897 5.484 3.341 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.231 7.029 3.830 1.00 0.00 H new ATOM 924 N GLU A 60 8.788 6.157 2.423 1.00 0.00 N ATOM 925 CA GLU A 60 7.446 5.638 2.374 1.00 0.00 C ATOM 926 C GLU A 60 6.955 5.483 0.933 1.00 0.00 C ATOM 927 O GLU A 60 7.600 5.883 -0.029 1.00 0.00 O ATOM 928 CB GLU A 60 6.523 6.611 3.112 1.00 0.00 C ATOM 929 CG GLU A 60 7.017 7.109 4.482 1.00 0.00 C ATOM 930 CD GLU A 60 7.733 8.453 4.379 1.00 0.00 C ATOM 931 OE1 GLU A 60 7.014 9.466 4.220 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.979 8.446 4.474 1.00 0.00 O ATOM 0 H GLU A 60 8.933 6.980 1.838 1.00 0.00 H new ATOM 0 HA GLU A 60 7.437 4.654 2.842 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.357 7.478 2.472 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.556 6.127 3.251 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.169 7.201 5.161 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.693 6.371 4.914 1.00 0.00 H new ATOM 939 N VAL A 61 5.758 4.927 0.836 1.00 0.00 N ATOM 940 CA VAL A 61 4.926 4.744 -0.335 1.00 0.00 C ATOM 941 C VAL A 61 3.865 5.826 -0.123 1.00 0.00 C ATOM 942 O VAL A 61 3.830 6.460 0.929 1.00 0.00 O ATOM 943 CB VAL A 61 4.309 3.323 -0.335 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.467 3.022 -1.584 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.415 2.272 -0.224 1.00 0.00 C ATOM 0 H VAL A 61 5.300 4.554 1.667 1.00 0.00 H new ATOM 0 HA VAL A 61 5.447 4.828 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 61 3.642 3.283 0.526 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.066 2.011 -1.517 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.645 3.735 -1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.092 3.107 -2.473 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.972 1.276 -0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.094 2.368 -1.071 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.968 2.422 0.703 1.00 0.00 H new ATOM 955 N SER A 62 2.970 6.059 -1.067 1.00 0.00 N ATOM 956 CA SER A 62 1.909 7.033 -0.904 1.00 0.00 C ATOM 957 C SER A 62 0.729 6.584 -1.734 1.00 0.00 C ATOM 958 O SER A 62 0.839 5.635 -2.506 1.00 0.00 O ATOM 959 CB SER A 62 2.365 8.447 -1.278 1.00 0.00 C ATOM 960 OG SER A 62 2.615 8.516 -2.662 1.00 0.00 O ATOM 0 H SER A 62 2.960 5.578 -1.966 1.00 0.00 H new ATOM 0 HA SER A 62 1.621 7.087 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.599 9.171 -1.001 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.266 8.707 -0.723 1.00 0.00 H new ATOM 0 HG SER A 62 3.530 8.217 -2.844 1.00 0.00 H new ATOM 966 N PHE A 63 -0.399 7.261 -1.572 1.00 0.00 N ATOM 967 CA PHE A 63 -1.615 6.938 -2.295 1.00 0.00 C ATOM 968 C PHE A 63 -1.362 6.954 -3.808 1.00 0.00 C ATOM 969 O PHE A 63 -1.872 6.102 -4.539 1.00 0.00 O ATOM 970 CB PHE A 63 -2.689 7.909 -1.829 1.00 0.00 C ATOM 971 CG PHE A 63 -4.151 7.575 -2.032 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.608 6.289 -2.401 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.065 8.540 -1.577 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.980 5.976 -2.314 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.405 8.197 -1.380 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.844 6.910 -1.712 1.00 0.00 C ATOM 0 H PHE A 63 -0.494 8.051 -0.934 1.00 0.00 H new ATOM 0 HA PHE A 63 -1.960 5.926 -2.084 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -2.539 8.071 -0.762 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.502 8.861 -2.325 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -3.906 5.546 -2.750 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.731 9.548 -1.379 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.359 5.041 -2.700 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.097 8.920 -0.974 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.865 6.628 -1.502 1.00 0.00 H new ATOM 986 N GLU A 64 -0.543 7.920 -4.244 1.00 0.00 N ATOM 987 CA GLU A 64 -0.111 8.148 -5.617 1.00 0.00 C ATOM 988 C GLU A 64 0.352 6.840 -6.264 1.00 0.00 C ATOM 989 O GLU A 64 -0.181 6.390 -7.272 1.00 0.00 O ATOM 990 CB GLU A 64 1.053 9.161 -5.588 1.00 0.00 C ATOM 991 CG GLU A 64 1.404 9.669 -6.993 1.00 0.00 C ATOM 992 CD GLU A 64 2.657 10.541 -6.982 1.00 0.00 C ATOM 993 OE1 GLU A 64 2.726 11.431 -6.108 1.00 0.00 O ATOM 994 OE2 GLU A 64 3.526 10.303 -7.850 1.00 0.00 O ATOM 0 H GLU A 64 -0.143 8.603 -3.601 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.942 8.536 -6.206 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.784 10.005 -4.953 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.930 8.693 -5.141 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.558 8.820 -7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.566 10.241 -7.393 1.00 0.00 H new ATOM 1001 N GLU A 65 1.373 6.242 -5.658 1.00 0.00 N ATOM 1002 CA GLU A 65 1.986 5.005 -6.118 1.00 0.00 C ATOM 1003 C GLU A 65 1.039 3.855 -5.803 1.00 0.00 C ATOM 1004 O GLU A 65 0.868 2.947 -6.607 1.00 0.00 O ATOM 1005 CB GLU A 65 3.348 4.736 -5.449 1.00 0.00 C ATOM 1006 CG GLU A 65 3.774 5.744 -4.376 1.00 0.00 C ATOM 1007 CD GLU A 65 4.336 7.059 -4.906 1.00 0.00 C ATOM 1008 OE1 GLU A 65 4.184 7.321 -6.118 1.00 0.00 O ATOM 1009 OE2 GLU A 65 4.873 7.801 -4.055 1.00 0.00 O ATOM 0 H GLU A 65 1.806 6.615 -4.813 1.00 0.00 H new ATOM 0 HA GLU A 65 2.164 5.094 -7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.321 3.744 -4.998 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.114 4.713 -6.224 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.913 5.964 -3.745 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.525 5.277 -3.739 1.00 0.00 H new ATOM 1016 N PHE A 66 0.432 3.882 -4.616 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.490 2.843 -4.180 1.00 0.00 C ATOM 1018 C PHE A 66 -1.564 2.525 -5.227 1.00 0.00 C ATOM 1019 O PHE A 66 -1.915 1.359 -5.379 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.108 3.205 -2.835 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.074 2.169 -2.312 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.611 1.079 -1.551 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.433 2.260 -2.655 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.517 0.104 -1.100 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.326 1.261 -2.237 1.00 0.00 C ATOM 1026 CZ PHE A 66 -3.875 0.193 -1.445 1.00 0.00 C ATOM 0 H PHE A 66 0.568 4.627 -3.933 1.00 0.00 H new ATOM 0 HA PHE A 66 0.091 1.929 -4.057 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.311 3.347 -2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.627 4.159 -2.929 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.561 0.992 -1.314 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.790 3.096 -3.238 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.168 -0.714 -0.488 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.365 1.314 -2.526 1.00 0.00 H new ATOM 0 HZ PHE A 66 -4.571 -0.558 -1.102 1.00 0.00 H new ATOM 1036 N GLN A 67 -2.102 3.504 -5.968 1.00 0.00 N ATOM 1037 CA GLN A 67 -3.084 3.149 -7.004 1.00 0.00 C ATOM 1038 C GLN A 67 -2.513 2.187 -8.063 1.00 0.00 C ATOM 1039 O GLN A 67 -3.264 1.471 -8.719 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.970 4.282 -7.556 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.479 5.734 -7.480 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.508 6.572 -6.731 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.349 7.242 -7.315 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.456 6.530 -5.413 1.00 0.00 N ATOM 0 H GLN A 67 -1.890 4.498 -5.880 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.832 2.580 -6.452 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -4.168 4.059 -8.604 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.925 4.233 -7.033 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.516 5.779 -6.971 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -3.328 6.133 -8.483 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.746 5.964 -4.948 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.126 7.063 -4.859 1.00 0.00 H new ATOM 1053 N VAL A 68 -1.191 2.106 -8.219 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.602 1.102 -9.092 1.00 0.00 C ATOM 1055 C VAL A 68 -0.879 -0.250 -8.419 1.00 0.00 C ATOM 1056 O VAL A 68 -1.249 -1.217 -9.078 1.00 0.00 O ATOM 1057 CB VAL A 68 0.901 1.351 -9.311 1.00 0.00 C ATOM 1058 CG1 VAL A 68 1.493 0.296 -10.255 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.142 2.743 -9.914 1.00 0.00 C ATOM 0 H VAL A 68 -0.518 2.718 -7.756 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.038 1.134 -10.090 1.00 0.00 H new ATOM 0 HB VAL A 68 1.389 1.287 -8.338 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.556 0.490 -10.397 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.360 -0.695 -9.822 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.984 0.343 -11.218 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.211 2.896 -10.060 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.631 2.817 -10.874 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.755 3.505 -9.237 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.741 -0.332 -7.091 1.00 0.00 N ATOM 1070 CA LEU A 69 -1.021 -1.556 -6.359 1.00 0.00 C ATOM 1071 C LEU A 69 -2.506 -1.898 -6.475 1.00 0.00 C ATOM 1072 O LEU A 69 -2.839 -3.065 -6.662 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.583 -1.483 -4.898 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.606 -2.905 -4.304 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.787 -3.317 -3.840 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -1.642 -3.001 -3.186 1.00 0.00 C ATOM 0 H LEU A 69 -0.435 0.445 -6.505 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.432 -2.354 -6.811 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.418 -1.059 -4.824 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.249 -0.828 -4.336 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.904 -3.609 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.749 -4.324 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.473 -3.300 -4.687 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.137 -2.622 -3.077 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.645 -4.012 -2.778 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.392 -2.292 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.630 -2.768 -3.584 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.397 -0.898 -6.389 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.832 -1.103 -6.620 1.00 0.00 C ATOM 1090 C VAL A 70 -5.027 -1.909 -7.910 1.00 0.00 C ATOM 1091 O VAL A 70 -5.927 -2.739 -7.990 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.583 0.240 -6.678 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -7.008 0.105 -7.217 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.617 0.897 -5.298 1.00 0.00 C ATOM 0 H VAL A 70 -3.146 0.064 -6.160 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.251 -1.665 -5.786 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.030 0.869 -7.375 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.485 1.085 -7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.978 -0.301 -8.228 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.578 -0.565 -6.574 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.152 1.845 -5.359 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.125 0.238 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.598 1.077 -4.955 1.00 0.00 H new ATOM 1104 N LYS A 71 -4.174 -1.691 -8.916 1.00 0.00 N ATOM 1105 CA LYS A 71 -4.217 -2.473 -10.134 1.00 0.00 C ATOM 1106 C LYS A 71 -3.502 -3.815 -9.911 1.00 0.00 C ATOM 1107 O LYS A 71 -4.022 -4.853 -10.314 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.615 -1.673 -11.298 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.737 -2.438 -12.622 1.00 0.00 C ATOM 1110 CD LYS A 71 -3.238 -1.572 -13.784 1.00 0.00 C ATOM 1111 CE LYS A 71 -3.362 -2.334 -15.107 1.00 0.00 C ATOM 1112 NZ LYS A 71 -2.906 -1.513 -16.243 1.00 0.00 N ATOM 0 H LYS A 71 -3.447 -0.975 -8.901 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.251 -2.692 -10.400 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.123 -0.712 -11.383 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.565 -1.462 -11.093 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.158 -3.360 -12.572 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.776 -2.723 -12.791 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.816 -0.649 -13.833 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.199 -1.289 -13.615 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.773 -3.250 -15.058 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.399 -2.630 -15.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -3.002 -2.056 -17.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.485 -0.651 -16.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.909 -1.252 -16.104 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.319 -3.833 -9.280 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.539 -5.031 -9.115 1.00 0.00 C ATOM 1128 C LYS A 72 -2.206 -6.099 -8.261 1.00 0.00 C ATOM 1129 O LYS A 72 -1.884 -7.270 -8.420 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.173 -4.694 -8.550 1.00 0.00 C ATOM 1131 CG LYS A 72 0.699 -3.805 -9.444 1.00 0.00 C ATOM 1132 CD LYS A 72 1.421 -4.671 -10.482 1.00 0.00 C ATOM 1133 CE LYS A 72 2.352 -3.838 -11.371 1.00 0.00 C ATOM 1134 NZ LYS A 72 1.610 -2.861 -12.187 1.00 0.00 N ATOM 0 H LYS A 72 -1.889 -3.002 -8.873 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.442 -5.460 -10.112 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.307 -4.197 -7.589 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.362 -5.624 -8.356 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.082 -3.058 -9.944 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.426 -3.264 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.999 -5.442 -9.973 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.686 -5.182 -11.104 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.075 -3.314 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.917 -4.501 -12.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.260 -2.403 -12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.858 -3.349 -12.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.188 -2.141 -11.567 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.138 -5.756 -7.374 1.00 0.00 N ATOM 1149 CA ILE A 73 -3.837 -6.803 -6.630 1.00 0.00 C ATOM 1150 C ILE A 73 -4.564 -7.712 -7.638 1.00 0.00 C ATOM 1151 O ILE A 73 -4.745 -8.903 -7.398 1.00 0.00 O ATOM 1152 CB ILE A 73 -4.796 -6.209 -5.594 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.622 -5.071 -6.199 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.013 -5.691 -4.379 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.031 -5.032 -5.629 1.00 0.00 C ATOM 0 H ILE A 73 -3.420 -4.800 -7.157 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.119 -7.398 -6.066 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.476 -6.999 -5.274 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.126 -4.120 -6.007 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.671 -5.193 -7.281 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -4.707 -5.272 -3.651 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.462 -6.514 -3.923 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.313 -4.919 -4.699 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.585 -4.211 -6.084 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.537 -5.973 -5.844 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.983 -4.884 -4.550 1.00 0.00 H new ATOM 1167 N SER A 74 -4.942 -7.150 -8.792 1.00 0.00 N ATOM 1168 CA SER A 74 -5.555 -7.847 -9.909 1.00 0.00 C ATOM 1169 C SER A 74 -4.606 -7.784 -11.115 1.00 0.00 C ATOM 1170 O SER A 74 -5.062 -7.720 -12.253 1.00 0.00 O ATOM 1171 CB SER A 74 -6.906 -7.195 -10.216 1.00 0.00 C ATOM 1172 OG SER A 74 -7.685 -7.131 -9.036 1.00 0.00 O ATOM 0 H SER A 74 -4.820 -6.153 -8.972 1.00 0.00 H new ATOM 0 HA SER A 74 -5.730 -8.896 -9.669 1.00 0.00 H new ATOM 0 HB2 SER A 74 -6.754 -6.193 -10.618 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.432 -7.768 -10.980 1.00 0.00 H new ATOM 0 HG SER A 74 -8.548 -6.712 -9.236 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.288 -7.800 -10.871 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.254 -7.734 -11.904 1.00 0.00 C ATOM 1180 C GLN A 75 -2.574 -8.643 -13.096 1.00 0.00 C ATOM 1181 O GLN A 75 -1.728 -8.852 -13.964 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.845 -8.007 -11.324 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.528 -9.475 -10.989 1.00 0.00 C ATOM 1184 CD GLN A 75 -1.664 -10.234 -10.305 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.223 -11.171 -10.857 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.053 -9.846 -9.104 1.00 0.00 N ATOM 0 H GLN A 75 -2.906 -7.861 -9.927 1.00 0.00 H new ATOM 0 HA GLN A 75 -2.247 -6.712 -12.284 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -0.104 -7.650 -12.039 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.725 -7.414 -10.417 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.265 -9.995 -11.910 1.00 0.00 H new ATOM 0 HG3 GLN A 75 0.350 -9.505 -10.344 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -1.586 -9.064 -8.644 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -2.820 -10.328 -8.636 1.00 0.00 H new TER 1195 GLN A 75