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 41 LYS NZ :NH3+ 163:sc= 0.744 (180deg=-0.0886) USER MOD Set 1.2: A 75 GLN : amide:sc= 0.332 K(o=1.1,f=-3.8) USER MOD Set 2.1: A 21 ASN : amide:sc= 1.01 K(o=3,f=1.5) USER MOD Set 2.2: A 22 GLN : amide:sc= 2.02 K(o=3,f=1.5) USER MOD Set 3.1: A 13 TYR OH : rot 166:sc= 0.371 USER MOD Set 3.2: A 34 THR OG1 : rot 62:sc= 1.86 USER MOD Single : A 1 LYS N :NH3+ -137:sc= -1.07 (180deg=-2.41!) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 106:sc= 0.0575 USER MOD Single : A 7 LYS NZ :NH3+ 171:sc=-0.00334 (180deg=-0.0793) USER MOD Single : A 12 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00999) USER MOD Single : A 16 LYS NZ :NH3+ -112:sc= 0.291 (180deg=0) USER MOD Single : A 24 SER OG : rot -177:sc= 1.23 USER MOD Single : A 25 LYS NZ :NH3+ -137:sc= 1.61 (180deg=0.158) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.31 X(o=-0.31,f=-0.18) USER MOD Single : A 38 SER OG : rot 180:sc= 0.0656 USER MOD Single : A 44 SER OG : rot 180:sc= 0.372 USER MOD Single : A 45 THR OG1 : rot -54:sc= 0.217 USER MOD Single : A 55 LYS NZ :NH3+ -122:sc= -0.0456 (180deg=-0.91) USER MOD Single : A 56 ASN : amide:sc= 1.18 K(o=1.2,f=-0.12) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.06 K(o=-1.1,f=-1.9) USER MOD Single : A 71 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0609) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot -44:sc= 0.753 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -14.564 -4.420 -2.539 1.00 0.00 N ATOM 2 CA LYS A 1 -13.896 -3.144 -2.356 1.00 0.00 C ATOM 3 C LYS A 1 -13.941 -2.396 -3.692 1.00 0.00 C ATOM 4 O LYS A 1 -14.401 -2.938 -4.696 1.00 0.00 O ATOM 5 CB LYS A 1 -12.453 -3.360 -1.863 1.00 0.00 C ATOM 6 CG LYS A 1 -12.339 -3.641 -0.355 1.00 0.00 C ATOM 7 CD LYS A 1 -13.028 -4.922 0.138 1.00 0.00 C ATOM 8 CE LYS A 1 -12.447 -6.183 -0.515 1.00 0.00 C ATOM 9 NZ LYS A 1 -13.055 -7.401 0.049 1.00 0.00 N ATOM 0 H1 LYS A 1 -15.177 -4.611 -1.721 1.00 0.00 H new ATOM 0 H2 LYS A 1 -15.140 -4.389 -3.404 1.00 0.00 H new ATOM 0 H3 LYS A 1 -13.854 -5.175 -2.623 1.00 0.00 H new ATOM 0 HA LYS A 1 -14.399 -2.548 -1.594 1.00 0.00 H new ATOM 0 HB2 LYS A 1 -12.014 -4.194 -2.411 1.00 0.00 H new ATOM 0 HB3 LYS A 1 -11.863 -2.476 -2.102 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -11.282 -3.695 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -12.759 -2.793 0.187 1.00 0.00 H new ATOM 0 HD2 LYS A 1 -12.923 -4.995 1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -14.095 -4.863 -0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 1 -12.619 -6.151 -1.591 1.00 0.00 H new ATOM 0 HE3 LYS A 1 -11.368 -6.209 -0.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 -12.644 -8.239 -0.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -12.869 -7.440 1.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -14.082 -7.385 -0.116 1.00 0.00 H new ATOM 25 N SER A 2 -13.468 -1.151 -3.706 1.00 0.00 N ATOM 26 CA SER A 2 -13.416 -0.277 -4.864 1.00 0.00 C ATOM 27 C SER A 2 -12.377 0.803 -4.533 1.00 0.00 C ATOM 28 O SER A 2 -11.952 0.867 -3.374 1.00 0.00 O ATOM 29 CB SER A 2 -14.813 0.309 -5.116 1.00 0.00 C ATOM 30 OG SER A 2 -15.162 1.203 -4.077 1.00 0.00 O ATOM 0 H SER A 2 -13.094 -0.708 -2.867 1.00 0.00 H new ATOM 0 HA SER A 2 -13.127 -0.797 -5.778 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.830 0.829 -6.074 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.547 -0.495 -5.176 1.00 0.00 H new ATOM 0 HG SER A 2 -15.100 2.125 -4.404 1.00 0.00 H new ATOM 36 N PRO A 3 -11.956 1.646 -5.492 1.00 0.00 N ATOM 37 CA PRO A 3 -10.982 2.701 -5.248 1.00 0.00 C ATOM 38 C PRO A 3 -11.294 3.509 -3.987 1.00 0.00 C ATOM 39 O PRO A 3 -10.394 3.801 -3.209 1.00 0.00 O ATOM 40 CB PRO A 3 -10.985 3.566 -6.512 1.00 0.00 C ATOM 41 CG PRO A 3 -11.336 2.550 -7.597 1.00 0.00 C ATOM 42 CD PRO A 3 -12.361 1.662 -6.890 1.00 0.00 C ATOM 0 HA PRO A 3 -9.993 2.284 -5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.719 4.370 -6.454 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -10.016 4.032 -6.689 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.754 3.028 -8.483 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.463 1.984 -7.922 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.370 2.059 -7.003 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.366 0.656 -7.310 1.00 0.00 H new ATOM 50 N GLU A 4 -12.563 3.857 -3.769 1.00 0.00 N ATOM 51 CA GLU A 4 -13.038 4.607 -2.635 1.00 0.00 C ATOM 52 C GLU A 4 -12.697 3.874 -1.332 1.00 0.00 C ATOM 53 O GLU A 4 -12.135 4.449 -0.400 1.00 0.00 O ATOM 54 CB GLU A 4 -14.553 4.749 -2.816 1.00 0.00 C ATOM 55 CG GLU A 4 -14.973 5.706 -3.947 1.00 0.00 C ATOM 56 CD GLU A 4 -14.728 5.174 -5.359 1.00 0.00 C ATOM 57 OE1 GLU A 4 -14.729 3.932 -5.516 1.00 0.00 O ATOM 58 OE2 GLU A 4 -14.529 6.018 -6.258 1.00 0.00 O ATOM 0 H GLU A 4 -13.311 3.606 -4.415 1.00 0.00 H new ATOM 0 HA GLU A 4 -12.566 5.588 -2.575 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.977 3.764 -3.014 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.987 5.100 -1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -16.034 5.932 -3.838 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -14.433 6.645 -3.829 1.00 0.00 H new ATOM 65 N GLU A 5 -13.025 2.586 -1.263 1.00 0.00 N ATOM 66 CA GLU A 5 -12.739 1.800 -0.073 1.00 0.00 C ATOM 67 C GLU A 5 -11.229 1.686 0.100 1.00 0.00 C ATOM 68 O GLU A 5 -10.717 1.793 1.208 1.00 0.00 O ATOM 69 CB GLU A 5 -13.374 0.405 -0.153 1.00 0.00 C ATOM 70 CG GLU A 5 -14.824 0.429 -0.648 1.00 0.00 C ATOM 71 CD GLU A 5 -15.683 1.451 0.089 1.00 0.00 C ATOM 72 OE1 GLU A 5 -15.899 1.238 1.301 1.00 0.00 O ATOM 73 OE2 GLU A 5 -16.096 2.431 -0.569 1.00 0.00 O ATOM 0 H GLU A 5 -13.486 2.070 -2.013 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.173 2.305 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.780 -0.220 -0.820 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -13.341 -0.059 0.833 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -14.835 0.653 -1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.261 -0.562 -0.526 1.00 0.00 H new ATOM 80 N LEU A 6 -10.510 1.479 -1.003 1.00 0.00 N ATOM 81 CA LEU A 6 -9.067 1.305 -0.969 1.00 0.00 C ATOM 82 C LEU A 6 -8.418 2.605 -0.503 1.00 0.00 C ATOM 83 O LEU A 6 -7.408 2.581 0.190 1.00 0.00 O ATOM 84 CB LEU A 6 -8.560 0.797 -2.324 1.00 0.00 C ATOM 85 CG LEU A 6 -9.029 -0.645 -2.606 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.860 -0.954 -4.094 1.00 0.00 C ATOM 87 CD2 LEU A 6 -8.251 -1.687 -1.794 1.00 0.00 C ATOM 0 H LEU A 6 -10.913 1.428 -1.938 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.784 0.538 -0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.916 1.456 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.471 0.835 -2.342 1.00 0.00 H new ATOM 0 HG LEU A 6 -10.076 -0.705 -2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.191 -1.973 -4.294 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.458 -0.256 -4.681 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.810 -0.853 -4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.622 -2.684 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -7.192 -1.625 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -8.386 -1.494 -0.730 1.00 0.00 H new ATOM 99 N LYS A 7 -9.006 3.745 -0.859 1.00 0.00 N ATOM 100 CA LYS A 7 -8.571 5.058 -0.428 1.00 0.00 C ATOM 101 C LYS A 7 -8.775 5.177 1.081 1.00 0.00 C ATOM 102 O LYS A 7 -7.866 5.588 1.800 1.00 0.00 O ATOM 103 CB LYS A 7 -9.366 6.112 -1.208 1.00 0.00 C ATOM 104 CG LYS A 7 -8.969 7.566 -0.903 1.00 0.00 C ATOM 105 CD LYS A 7 -7.510 7.894 -1.245 1.00 0.00 C ATOM 106 CE LYS A 7 -7.171 9.359 -0.948 1.00 0.00 C ATOM 107 NZ LYS A 7 -7.231 9.658 0.495 1.00 0.00 N ATOM 0 H LYS A 7 -9.820 3.774 -1.473 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.511 5.215 -0.630 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.237 5.930 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.426 5.985 -0.989 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.623 8.236 -1.461 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.138 7.765 0.155 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.848 7.244 -0.673 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -7.328 7.685 -2.299 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -6.173 9.584 -1.324 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.866 10.007 -1.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -6.850 10.610 0.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -8.219 9.616 0.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -6.666 8.959 1.018 1.00 0.00 H new ATOM 121 N GLY A 8 -9.963 4.806 1.565 1.00 0.00 N ATOM 122 CA GLY A 8 -10.276 4.855 2.986 1.00 0.00 C ATOM 123 C GLY A 8 -9.278 4.001 3.764 1.00 0.00 C ATOM 124 O GLY A 8 -8.675 4.449 4.734 1.00 0.00 O ATOM 0 H GLY A 8 -10.728 4.466 0.982 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.241 5.885 3.340 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.290 4.493 3.157 1.00 0.00 H new ATOM 128 N ILE A 9 -9.097 2.760 3.319 1.00 0.00 N ATOM 129 CA ILE A 9 -8.186 1.788 3.900 1.00 0.00 C ATOM 130 C ILE A 9 -6.754 2.332 3.878 1.00 0.00 C ATOM 131 O ILE A 9 -6.069 2.334 4.900 1.00 0.00 O ATOM 132 CB ILE A 9 -8.342 0.474 3.118 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.742 -0.139 3.335 1.00 0.00 C ATOM 134 CG2 ILE A 9 -7.218 -0.516 3.430 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.921 -0.904 4.649 1.00 0.00 C ATOM 0 H ILE A 9 -9.602 2.394 2.512 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.420 1.596 4.947 1.00 0.00 H new ATOM 0 HB ILE A 9 -8.254 0.709 2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.482 0.661 3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.958 -0.815 2.507 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -7.368 -1.430 2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -6.259 -0.073 3.163 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -7.225 -0.751 4.494 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.937 -1.295 4.707 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -9.211 -1.730 4.689 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.743 -0.232 5.488 1.00 0.00 H new ATOM 147 N PHE A 10 -6.301 2.807 2.714 1.00 0.00 N ATOM 148 CA PHE A 10 -4.982 3.397 2.543 1.00 0.00 C ATOM 149 C PHE A 10 -4.792 4.467 3.611 1.00 0.00 C ATOM 150 O PHE A 10 -3.805 4.444 4.335 1.00 0.00 O ATOM 151 CB PHE A 10 -4.852 4.015 1.142 1.00 0.00 C ATOM 152 CG PHE A 10 -3.634 4.898 0.951 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.677 6.226 1.418 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.394 4.339 0.598 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.510 6.808 1.929 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.216 5.058 0.855 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.269 6.228 1.628 1.00 0.00 C ATOM 0 H PHE A 10 -6.852 2.789 1.856 1.00 0.00 H new ATOM 0 HA PHE A 10 -4.216 2.629 2.645 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.820 3.211 0.406 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.746 4.602 0.934 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.598 6.789 1.383 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.348 3.365 0.133 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.565 7.692 2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.273 4.712 0.459 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.357 6.680 1.990 1.00 0.00 H new ATOM 167 N GLU A 11 -5.743 5.401 3.709 1.00 0.00 N ATOM 168 CA GLU A 11 -5.692 6.484 4.676 1.00 0.00 C ATOM 169 C GLU A 11 -5.631 5.921 6.099 1.00 0.00 C ATOM 170 O GLU A 11 -4.815 6.361 6.906 1.00 0.00 O ATOM 171 CB GLU A 11 -6.888 7.417 4.451 1.00 0.00 C ATOM 172 CG GLU A 11 -6.710 8.751 5.186 1.00 0.00 C ATOM 173 CD GLU A 11 -7.838 9.719 4.841 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.873 10.149 3.666 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.647 10.003 5.750 1.00 0.00 O ATOM 0 H GLU A 11 -6.571 5.421 3.113 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.786 7.074 4.539 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.010 7.602 3.384 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.800 6.930 4.796 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.691 8.578 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.751 9.194 4.917 1.00 0.00 H new ATOM 182 N LYS A 12 -6.488 4.943 6.406 1.00 0.00 N ATOM 183 CA LYS A 12 -6.540 4.301 7.711 1.00 0.00 C ATOM 184 C LYS A 12 -5.149 3.816 8.111 1.00 0.00 C ATOM 185 O LYS A 12 -4.683 4.145 9.200 1.00 0.00 O ATOM 186 CB LYS A 12 -7.548 3.141 7.713 1.00 0.00 C ATOM 187 CG LYS A 12 -7.859 2.664 9.141 1.00 0.00 C ATOM 188 CD LYS A 12 -8.350 1.209 9.166 1.00 0.00 C ATOM 189 CE LYS A 12 -9.570 0.965 8.272 1.00 0.00 C ATOM 190 NZ LYS A 12 -10.726 1.785 8.678 1.00 0.00 N ATOM 0 H LYS A 12 -7.171 4.575 5.744 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.877 5.033 8.445 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.470 3.459 7.226 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -7.149 2.311 7.130 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.964 2.756 9.757 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.618 3.311 9.582 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.539 0.554 8.848 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.599 0.934 10.191 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.312 1.190 7.237 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.842 -0.090 8.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.544 1.552 8.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.958 1.590 9.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.493 2.793 8.568 1.00 0.00 H new ATOM 204 N TYR A 13 -4.474 3.041 7.255 1.00 0.00 N ATOM 205 CA TYR A 13 -3.143 2.567 7.591 1.00 0.00 C ATOM 206 C TYR A 13 -2.170 3.738 7.592 1.00 0.00 C ATOM 207 O TYR A 13 -1.436 3.880 8.560 1.00 0.00 O ATOM 208 CB TYR A 13 -2.695 1.400 6.707 1.00 0.00 C ATOM 209 CG TYR A 13 -3.263 0.069 7.165 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.611 -0.227 6.893 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.467 -0.868 7.859 1.00 0.00 C ATOM 212 CE1 TYR A 13 -5.170 -1.438 7.323 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.051 -2.056 8.336 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.395 -2.346 8.059 1.00 0.00 C ATOM 215 OH TYR A 13 -4.944 -3.522 8.469 1.00 0.00 O ATOM 0 H TYR A 13 -4.824 2.738 6.346 1.00 0.00 H new ATOM 0 HA TYR A 13 -3.162 2.151 8.599 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -3.004 1.588 5.679 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.606 1.346 6.708 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.218 0.482 6.350 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.417 -0.674 8.023 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -6.198 -1.672 7.088 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.461 -2.748 8.919 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.234 -4.129 8.764 1.00 0.00 H new ATOM 225 N ALA A 14 -2.155 4.586 6.558 1.00 0.00 N ATOM 226 CA ALA A 14 -1.254 5.734 6.499 1.00 0.00 C ATOM 227 C ALA A 14 -1.303 6.588 7.771 1.00 0.00 C ATOM 228 O ALA A 14 -0.299 7.147 8.190 1.00 0.00 O ATOM 229 CB ALA A 14 -1.588 6.566 5.267 1.00 0.00 C ATOM 0 H ALA A 14 -2.764 4.494 5.745 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.232 5.361 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.919 7.425 5.216 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.464 5.956 4.372 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.620 6.912 5.331 1.00 0.00 H new ATOM 235 N ALA A 15 -2.471 6.705 8.404 1.00 0.00 N ATOM 236 CA ALA A 15 -2.630 7.482 9.624 1.00 0.00 C ATOM 237 C ALA A 15 -1.843 6.943 10.831 1.00 0.00 C ATOM 238 O ALA A 15 -1.730 7.657 11.823 1.00 0.00 O ATOM 239 CB ALA A 15 -4.120 7.594 9.959 1.00 0.00 C ATOM 0 H ALA A 15 -3.331 6.262 8.081 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.203 8.465 9.424 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.245 8.175 10.873 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.641 8.089 9.140 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.536 6.597 10.104 1.00 0.00 H new ATOM 245 N LYS A 16 -1.310 5.714 10.802 1.00 0.00 N ATOM 246 CA LYS A 16 -0.591 5.167 11.952 1.00 0.00 C ATOM 247 C LYS A 16 0.732 5.890 12.241 1.00 0.00 C ATOM 248 O LYS A 16 1.033 6.187 13.395 1.00 0.00 O ATOM 249 CB LYS A 16 -0.342 3.659 11.762 1.00 0.00 C ATOM 250 CG LYS A 16 -0.985 2.789 12.853 1.00 0.00 C ATOM 251 CD LYS A 16 -2.521 2.821 12.868 1.00 0.00 C ATOM 252 CE LYS A 16 -3.114 2.415 11.516 1.00 0.00 C ATOM 253 NZ LYS A 16 -4.579 2.287 11.583 1.00 0.00 N ATOM 0 H LYS A 16 -1.364 5.087 10.000 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.231 5.328 12.820 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.730 3.354 10.790 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.732 3.475 11.748 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.657 1.758 12.719 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.617 3.117 13.825 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.891 2.149 13.643 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.861 3.824 13.127 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -2.847 3.157 10.763 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.680 1.467 11.197 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.846 1.288 11.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.916 2.632 12.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.012 2.850 10.823 1.00 0.00 H new ATOM 267 N GLU A 17 1.533 6.138 11.207 1.00 0.00 N ATOM 268 CA GLU A 17 2.854 6.741 11.285 1.00 0.00 C ATOM 269 C GLU A 17 3.051 7.690 10.111 1.00 0.00 C ATOM 270 O GLU A 17 2.461 7.527 9.051 1.00 0.00 O ATOM 271 CB GLU A 17 3.897 5.615 11.253 1.00 0.00 C ATOM 272 CG GLU A 17 5.367 6.058 11.262 1.00 0.00 C ATOM 273 CD GLU A 17 6.293 4.846 11.200 1.00 0.00 C ATOM 274 OE1 GLU A 17 6.561 4.396 10.063 1.00 0.00 O ATOM 275 OE2 GLU A 17 6.714 4.391 12.285 1.00 0.00 O ATOM 0 H GLU A 17 1.263 5.912 10.250 1.00 0.00 H new ATOM 0 HA GLU A 17 2.963 7.313 12.207 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.729 4.966 12.113 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.725 5.013 10.361 1.00 0.00 H new ATOM 0 HG2 GLU A 17 5.560 6.714 10.413 1.00 0.00 H new ATOM 0 HG3 GLU A 17 5.573 6.635 12.164 1.00 0.00 H new ATOM 282 N GLY A 18 3.914 8.678 10.314 1.00 0.00 N ATOM 283 CA GLY A 18 4.215 9.681 9.308 1.00 0.00 C ATOM 284 C GLY A 18 2.974 10.514 8.980 1.00 0.00 C ATOM 285 O GLY A 18 2.106 10.712 9.827 1.00 0.00 O ATOM 0 H GLY A 18 4.426 8.804 11.187 1.00 0.00 H new ATOM 0 HA2 GLY A 18 5.012 10.333 9.666 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.582 9.196 8.403 1.00 0.00 H new ATOM 289 N ASP A 19 2.892 11.014 7.746 1.00 0.00 N ATOM 290 CA ASP A 19 1.773 11.826 7.288 1.00 0.00 C ATOM 291 C ASP A 19 0.659 10.899 6.784 1.00 0.00 C ATOM 292 O ASP A 19 0.977 9.941 6.081 1.00 0.00 O ATOM 293 CB ASP A 19 2.263 12.750 6.165 1.00 0.00 C ATOM 294 CG ASP A 19 1.182 13.724 5.715 1.00 0.00 C ATOM 295 OD1 ASP A 19 0.227 13.248 5.065 1.00 0.00 O ATOM 296 OD2 ASP A 19 1.316 14.921 6.045 1.00 0.00 O ATOM 0 H ASP A 19 3.607 10.864 7.034 1.00 0.00 H new ATOM 0 HA ASP A 19 1.379 12.436 8.101 1.00 0.00 H new ATOM 0 HB2 ASP A 19 3.134 13.308 6.509 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.585 12.148 5.315 1.00 0.00 H new ATOM 301 N PRO A 20 -0.628 11.157 7.084 1.00 0.00 N ATOM 302 CA PRO A 20 -1.743 10.322 6.638 1.00 0.00 C ATOM 303 C PRO A 20 -1.847 10.134 5.116 1.00 0.00 C ATOM 304 O PRO A 20 -2.630 9.309 4.658 1.00 0.00 O ATOM 305 CB PRO A 20 -3.009 10.949 7.234 1.00 0.00 C ATOM 306 CG PRO A 20 -2.602 12.395 7.510 1.00 0.00 C ATOM 307 CD PRO A 20 -1.126 12.266 7.883 1.00 0.00 C ATOM 0 HA PRO A 20 -1.587 9.302 6.991 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -3.848 10.895 6.540 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -3.317 10.439 8.147 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -2.744 13.029 6.635 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -3.187 12.832 8.319 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -0.582 13.185 7.664 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -1.004 12.070 8.948 1.00 0.00 H new ATOM 315 N ASN A 21 -1.079 10.871 4.311 1.00 0.00 N ATOM 316 CA ASN A 21 -1.047 10.710 2.870 1.00 0.00 C ATOM 317 C ASN A 21 -0.067 9.602 2.463 1.00 0.00 C ATOM 318 O ASN A 21 -0.147 9.116 1.337 1.00 0.00 O ATOM 319 CB ASN A 21 -0.621 12.044 2.255 1.00 0.00 C ATOM 320 CG ASN A 21 -0.385 11.935 0.754 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.314 11.815 -0.032 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.867 11.976 0.328 1.00 0.00 N ATOM 0 H ASN A 21 -0.457 11.603 4.653 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.035 10.422 2.510 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.389 12.793 2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.291 12.391 2.740 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.069 11.907 -0.669 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.630 12.077 0.997 1.00 0.00 H new ATOM 329 N GLN A 22 0.858 9.200 3.349 1.00 0.00 N ATOM 330 CA GLN A 22 1.877 8.203 3.051 1.00 0.00 C ATOM 331 C GLN A 22 1.795 6.922 3.887 1.00 0.00 C ATOM 332 O GLN A 22 1.516 6.954 5.078 1.00 0.00 O ATOM 333 CB GLN A 22 3.281 8.776 3.275 1.00 0.00 C ATOM 334 CG GLN A 22 3.816 9.724 2.196 1.00 0.00 C ATOM 335 CD GLN A 22 3.769 11.166 2.672 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.999 11.980 2.179 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.593 11.506 3.652 1.00 0.00 N ATOM 0 H GLN A 22 0.913 9.567 4.299 1.00 0.00 H new ATOM 0 HA GLN A 22 1.688 7.945 2.009 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.284 9.307 4.227 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.977 7.943 3.372 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.841 9.453 1.944 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.225 9.617 1.286 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.227 10.812 4.049 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.594 12.461 4.009 1.00 0.00 H new ATOM 346 N LEU A 23 2.101 5.796 3.240 1.00 0.00 N ATOM 347 CA LEU A 23 2.230 4.472 3.829 1.00 0.00 C ATOM 348 C LEU A 23 3.717 4.196 4.026 1.00 0.00 C ATOM 349 O LEU A 23 4.412 3.928 3.052 1.00 0.00 O ATOM 350 CB LEU A 23 1.689 3.417 2.862 1.00 0.00 C ATOM 351 CG LEU A 23 0.216 3.080 3.064 1.00 0.00 C ATOM 352 CD1 LEU A 23 -0.214 2.110 1.956 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.075 2.412 4.410 1.00 0.00 C ATOM 0 H LEU A 23 2.274 5.789 2.235 1.00 0.00 H new ATOM 0 HA LEU A 23 1.679 4.431 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.833 3.769 1.840 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.277 2.506 2.971 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.334 4.021 3.037 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.266 1.856 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.069 2.581 0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.387 1.203 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.141 2.200 4.488 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.487 1.481 4.483 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.222 3.079 5.219 1.00 0.00 H new ATOM 365 N SER A 24 4.239 4.239 5.246 1.00 0.00 N ATOM 366 CA SER A 24 5.659 3.958 5.449 1.00 0.00 C ATOM 367 C SER A 24 5.979 2.514 5.046 1.00 0.00 C ATOM 368 O SER A 24 5.078 1.686 4.938 1.00 0.00 O ATOM 369 CB SER A 24 6.092 4.257 6.893 1.00 0.00 C ATOM 370 OG SER A 24 5.894 3.137 7.736 1.00 0.00 O ATOM 0 H SER A 24 3.716 4.460 6.094 1.00 0.00 H new ATOM 0 HA SER A 24 6.235 4.623 4.805 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.144 4.543 6.907 1.00 0.00 H new ATOM 0 HB3 SER A 24 5.526 5.106 7.275 1.00 0.00 H new ATOM 0 HG SER A 24 6.137 3.373 8.656 1.00 0.00 H new ATOM 376 N LYS A 25 7.257 2.188 4.833 1.00 0.00 N ATOM 377 CA LYS A 25 7.687 0.825 4.523 1.00 0.00 C ATOM 378 C LYS A 25 7.110 -0.130 5.572 1.00 0.00 C ATOM 379 O LYS A 25 6.463 -1.130 5.260 1.00 0.00 O ATOM 380 CB LYS A 25 9.226 0.819 4.411 1.00 0.00 C ATOM 381 CG LYS A 25 9.941 -0.462 4.870 1.00 0.00 C ATOM 382 CD LYS A 25 11.461 -0.262 4.984 1.00 0.00 C ATOM 383 CE LYS A 25 12.161 0.025 3.651 1.00 0.00 C ATOM 384 NZ LYS A 25 12.015 -1.096 2.709 1.00 0.00 N ATOM 0 H LYS A 25 8.021 2.863 4.871 1.00 0.00 H new ATOM 0 HA LYS A 25 7.307 0.471 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.493 1.005 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.614 1.654 4.994 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.543 -0.774 5.836 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.733 -1.266 4.165 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.657 0.563 5.669 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.901 -1.155 5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.744 0.930 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.219 0.216 3.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.924 -1.272 2.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.724 -1.949 3.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 11.294 -0.860 1.998 1.00 0.00 H new ATOM 398 N GLU A 26 7.345 0.222 6.830 1.00 0.00 N ATOM 399 CA GLU A 26 6.845 -0.493 7.995 1.00 0.00 C ATOM 400 C GLU A 26 5.316 -0.600 7.925 1.00 0.00 C ATOM 401 O GLU A 26 4.744 -1.664 8.134 1.00 0.00 O ATOM 402 CB GLU A 26 7.351 0.238 9.254 1.00 0.00 C ATOM 403 CG GLU A 26 6.671 -0.171 10.573 1.00 0.00 C ATOM 404 CD GLU A 26 5.350 0.554 10.857 1.00 0.00 C ATOM 405 OE1 GLU A 26 5.194 1.699 10.378 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.522 -0.049 11.570 1.00 0.00 O ATOM 0 H GLU A 26 7.906 1.038 7.074 1.00 0.00 H new ATOM 0 HA GLU A 26 7.216 -1.517 8.028 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.423 0.064 9.348 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.213 1.310 9.111 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.485 -1.245 10.554 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.360 0.019 11.396 1.00 0.00 H new ATOM 413 N GLU A 27 4.647 0.511 7.640 1.00 0.00 N ATOM 414 CA GLU A 27 3.195 0.600 7.578 1.00 0.00 C ATOM 415 C GLU A 27 2.577 -0.256 6.468 1.00 0.00 C ATOM 416 O GLU A 27 1.530 -0.876 6.664 1.00 0.00 O ATOM 417 CB GLU A 27 2.866 2.080 7.423 1.00 0.00 C ATOM 418 CG GLU A 27 1.516 2.555 7.949 1.00 0.00 C ATOM 419 CD GLU A 27 1.582 4.075 8.067 1.00 0.00 C ATOM 420 OE1 GLU A 27 2.188 4.690 7.163 1.00 0.00 O ATOM 421 OE2 GLU A 27 1.098 4.582 9.094 1.00 0.00 O ATOM 0 H GLU A 27 5.112 1.397 7.441 1.00 0.00 H new ATOM 0 HA GLU A 27 2.756 0.192 8.488 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.645 2.653 7.926 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.922 2.329 6.363 1.00 0.00 H new ATOM 0 HG2 GLU A 27 0.714 2.257 7.273 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.301 2.104 8.918 1.00 0.00 H new ATOM 428 N LEU A 28 3.209 -0.304 5.294 1.00 0.00 N ATOM 429 CA LEU A 28 2.720 -1.107 4.188 1.00 0.00 C ATOM 430 C LEU A 28 2.630 -2.565 4.635 1.00 0.00 C ATOM 431 O LEU A 28 1.647 -3.238 4.336 1.00 0.00 O ATOM 432 CB LEU A 28 3.688 -0.958 3.006 1.00 0.00 C ATOM 433 CG LEU A 28 3.288 -1.776 1.767 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.030 -1.217 1.094 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.448 -1.800 0.768 1.00 0.00 C ATOM 0 H LEU A 28 4.066 0.210 5.091 1.00 0.00 H new ATOM 0 HA LEU A 28 1.729 -0.775 3.878 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.750 0.095 2.730 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.685 -1.263 3.325 1.00 0.00 H new ATOM 0 HG LEU A 28 3.061 -2.790 2.096 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.783 -1.824 0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.200 -1.239 1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.212 -0.189 0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.161 -2.381 -0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.689 -0.781 0.466 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.321 -2.256 1.235 1.00 0.00 H new ATOM 447 N LYS A 29 3.654 -3.045 5.350 1.00 0.00 N ATOM 448 CA LYS A 29 3.733 -4.428 5.811 1.00 0.00 C ATOM 449 C LYS A 29 2.415 -4.851 6.457 1.00 0.00 C ATOM 450 O LYS A 29 1.729 -5.740 5.959 1.00 0.00 O ATOM 451 CB LYS A 29 4.908 -4.591 6.783 1.00 0.00 C ATOM 452 CG LYS A 29 5.087 -6.033 7.264 1.00 0.00 C ATOM 453 CD LYS A 29 5.731 -6.894 6.175 1.00 0.00 C ATOM 454 CE LYS A 29 5.962 -8.329 6.655 1.00 0.00 C ATOM 455 NZ LYS A 29 6.697 -9.119 5.653 1.00 0.00 N ATOM 0 H LYS A 29 4.455 -2.477 5.625 1.00 0.00 H new ATOM 0 HA LYS A 29 3.907 -5.080 4.955 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.825 -4.259 6.296 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.753 -3.942 7.645 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.708 -6.048 8.160 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.119 -6.452 7.540 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.092 -6.903 5.292 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.681 -6.452 5.876 1.00 0.00 H new ATOM 0 HE2 LYS A 29 6.520 -8.316 7.591 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.003 -8.804 6.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.837 -10.086 6.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.152 -9.151 4.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.622 -8.678 5.474 1.00 0.00 H new ATOM 469 N LEU A 30 2.070 -4.209 7.572 1.00 0.00 N ATOM 470 CA LEU A 30 0.829 -4.434 8.293 1.00 0.00 C ATOM 471 C LEU A 30 -0.369 -4.450 7.338 1.00 0.00 C ATOM 472 O LEU A 30 -1.208 -5.346 7.420 1.00 0.00 O ATOM 473 CB LEU A 30 0.623 -3.427 9.442 1.00 0.00 C ATOM 474 CG LEU A 30 1.705 -2.374 9.714 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.128 -1.244 10.575 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.887 -3.005 10.452 1.00 0.00 C ATOM 0 H LEU A 30 2.664 -3.502 8.005 1.00 0.00 H new ATOM 0 HA LEU A 30 0.905 -5.418 8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.310 -2.897 9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.483 -3.999 10.359 1.00 0.00 H new ATOM 0 HG LEU A 30 2.046 -1.975 8.759 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.901 -0.500 10.764 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.295 -0.776 10.051 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.777 -1.652 11.523 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.647 -2.246 10.638 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.545 -3.417 11.402 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.312 -3.803 9.843 1.00 0.00 H new ATOM 488 N LEU A 31 -0.453 -3.473 6.431 1.00 0.00 N ATOM 489 CA LEU A 31 -1.550 -3.390 5.474 1.00 0.00 C ATOM 490 C LEU A 31 -1.668 -4.687 4.677 1.00 0.00 C ATOM 491 O LEU A 31 -2.715 -5.339 4.663 1.00 0.00 O ATOM 492 CB LEU A 31 -1.336 -2.210 4.514 1.00 0.00 C ATOM 493 CG LEU A 31 -2.627 -1.513 4.045 1.00 0.00 C ATOM 494 CD1 LEU A 31 -2.375 -0.830 2.698 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.866 -2.404 3.902 1.00 0.00 C ATOM 0 H LEU A 31 0.234 -2.724 6.343 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.474 -3.233 6.031 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.700 -1.473 5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.794 -2.567 3.638 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.860 -0.810 4.845 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.288 -0.336 2.364 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.582 -0.091 2.808 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.076 -1.576 1.962 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.710 -1.802 3.566 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.667 -3.189 3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.103 -2.856 4.865 1.00 0.00 H new ATOM 507 N LEU A 32 -0.573 -5.055 4.010 1.00 0.00 N ATOM 508 CA LEU A 32 -0.526 -6.246 3.179 1.00 0.00 C ATOM 509 C LEU A 32 -0.859 -7.472 4.013 1.00 0.00 C ATOM 510 O LEU A 32 -1.673 -8.290 3.607 1.00 0.00 O ATOM 511 CB LEU A 32 0.835 -6.416 2.492 1.00 0.00 C ATOM 512 CG LEU A 32 1.256 -5.222 1.625 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.597 -5.538 0.958 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.218 -4.830 0.566 1.00 0.00 C ATOM 0 H LEU A 32 0.303 -4.532 4.034 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.270 -6.131 2.391 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.596 -6.583 3.254 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.806 -7.310 1.869 1.00 0.00 H new ATOM 0 HG LEU A 32 1.345 -4.361 2.288 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.904 -4.694 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.351 -5.719 1.724 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.493 -6.426 0.334 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.586 -3.979 -0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.046 -5.672 -0.105 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.717 -4.560 1.056 1.00 0.00 H new ATOM 526 N GLN A 33 -0.249 -7.598 5.188 1.00 0.00 N ATOM 527 CA GLN A 33 -0.476 -8.714 6.065 1.00 0.00 C ATOM 528 C GLN A 33 -1.957 -8.830 6.428 1.00 0.00 C ATOM 529 O GLN A 33 -2.499 -9.931 6.446 1.00 0.00 O ATOM 530 CB GLN A 33 0.395 -8.501 7.300 1.00 0.00 C ATOM 531 CG GLN A 33 1.853 -8.912 7.057 1.00 0.00 C ATOM 532 CD GLN A 33 2.664 -8.939 8.350 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.395 -9.880 8.620 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.563 -7.911 9.179 1.00 0.00 N ATOM 0 H GLN A 33 0.419 -6.917 5.550 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.208 -9.652 5.578 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.359 -7.451 7.592 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.010 -9.077 8.132 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.879 -9.898 6.592 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.313 -8.217 6.355 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.951 -7.128 8.948 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.097 -7.902 10.048 1.00 0.00 H new ATOM 543 N THR A 34 -2.614 -7.706 6.722 1.00 0.00 N ATOM 544 CA THR A 34 -4.017 -7.731 7.101 1.00 0.00 C ATOM 545 C THR A 34 -4.941 -8.052 5.922 1.00 0.00 C ATOM 546 O THR A 34 -5.780 -8.942 6.031 1.00 0.00 O ATOM 547 CB THR A 34 -4.454 -6.398 7.739 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.543 -5.924 8.716 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.820 -6.573 8.420 1.00 0.00 C ATOM 0 H THR A 34 -2.195 -6.776 6.704 1.00 0.00 H new ATOM 0 HA THR A 34 -4.110 -8.532 7.835 1.00 0.00 H new ATOM 0 HB THR A 34 -4.496 -5.671 6.928 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.674 -5.752 8.297 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.126 -5.629 8.870 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.559 -6.878 7.679 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.745 -7.337 9.194 1.00 0.00 H new ATOM 557 N GLU A 35 -4.831 -7.297 4.822 1.00 0.00 N ATOM 558 CA GLU A 35 -5.779 -7.384 3.711 1.00 0.00 C ATOM 559 C GLU A 35 -5.274 -7.991 2.404 1.00 0.00 C ATOM 560 O GLU A 35 -6.100 -8.416 1.600 1.00 0.00 O ATOM 561 CB GLU A 35 -6.309 -5.974 3.438 1.00 0.00 C ATOM 562 CG GLU A 35 -7.026 -5.408 4.669 1.00 0.00 C ATOM 563 CD GLU A 35 -7.577 -4.022 4.391 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.378 -3.905 3.438 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.177 -3.105 5.138 1.00 0.00 O ATOM 0 H GLU A 35 -4.087 -6.614 4.680 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.542 -8.088 4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.483 -5.319 3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.996 -5.997 2.592 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -7.838 -6.074 4.959 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.333 -5.366 5.510 1.00 0.00 H new ATOM 572 N PHE A 36 -3.963 -8.035 2.158 1.00 0.00 N ATOM 573 CA PHE A 36 -3.433 -8.540 0.896 1.00 0.00 C ATOM 574 C PHE A 36 -2.283 -9.535 1.087 1.00 0.00 C ATOM 575 O PHE A 36 -1.216 -9.316 0.522 1.00 0.00 O ATOM 576 CB PHE A 36 -2.986 -7.350 0.028 1.00 0.00 C ATOM 577 CG PHE A 36 -4.017 -6.248 -0.136 1.00 0.00 C ATOM 578 CD1 PHE A 36 -5.102 -6.428 -1.011 1.00 0.00 C ATOM 579 CD2 PHE A 36 -3.923 -5.060 0.616 1.00 0.00 C ATOM 580 CE1 PHE A 36 -6.094 -5.443 -1.123 1.00 0.00 C ATOM 581 CE2 PHE A 36 -4.913 -4.070 0.501 1.00 0.00 C ATOM 582 CZ PHE A 36 -6.005 -4.268 -0.358 1.00 0.00 C ATOM 0 H PHE A 36 -3.250 -7.726 2.819 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.229 -9.092 0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -2.084 -6.920 0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.715 -7.723 -0.960 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -5.172 -7.330 -1.601 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.087 -4.910 1.283 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.926 -5.588 -1.797 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.834 -3.157 1.073 1.00 0.00 H new ATOM 0 HZ PHE A 36 -6.777 -3.517 -0.431 1.00 0.00 H new ATOM 592 N PRO A 37 -2.460 -10.625 1.849 1.00 0.00 N ATOM 593 CA PRO A 37 -1.397 -11.595 2.061 1.00 0.00 C ATOM 594 C PRO A 37 -1.089 -12.381 0.779 1.00 0.00 C ATOM 595 O PRO A 37 0.040 -12.389 0.303 1.00 0.00 O ATOM 596 CB PRO A 37 -1.893 -12.492 3.201 1.00 0.00 C ATOM 597 CG PRO A 37 -3.420 -12.399 3.126 1.00 0.00 C ATOM 598 CD PRO A 37 -3.660 -10.987 2.590 1.00 0.00 C ATOM 0 HA PRO A 37 -0.452 -11.119 2.324 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.551 -13.519 3.075 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.521 -12.149 4.166 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -3.837 -13.157 2.463 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.880 -12.542 4.104 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.539 -10.959 1.946 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.840 -10.286 3.405 1.00 0.00 H new ATOM 606 N SER A 38 -2.095 -13.053 0.216 1.00 0.00 N ATOM 607 CA SER A 38 -1.984 -13.881 -0.976 1.00 0.00 C ATOM 608 C SER A 38 -2.160 -13.072 -2.262 1.00 0.00 C ATOM 609 O SER A 38 -1.543 -13.372 -3.282 1.00 0.00 O ATOM 610 CB SER A 38 -3.035 -14.985 -0.852 1.00 0.00 C ATOM 611 OG SER A 38 -4.288 -14.390 -0.561 1.00 0.00 O ATOM 0 H SER A 38 -3.042 -13.032 0.595 1.00 0.00 H new ATOM 0 HA SER A 38 -0.984 -14.309 -1.043 1.00 0.00 H new ATOM 0 HB2 SER A 38 -3.094 -15.556 -1.779 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.757 -15.685 -0.064 1.00 0.00 H new ATOM 0 HG SER A 38 -4.971 -15.088 -0.481 1.00 0.00 H new ATOM 617 N LEU A 39 -3.001 -12.037 -2.208 1.00 0.00 N ATOM 618 CA LEU A 39 -3.356 -11.122 -3.269 1.00 0.00 C ATOM 619 C LEU A 39 -2.131 -10.560 -4.005 1.00 0.00 C ATOM 620 O LEU A 39 -2.245 -10.143 -5.153 1.00 0.00 O ATOM 621 CB LEU A 39 -4.157 -10.018 -2.580 1.00 0.00 C ATOM 622 CG LEU A 39 -5.609 -10.370 -2.198 1.00 0.00 C ATOM 623 CD1 LEU A 39 -6.526 -10.274 -3.422 1.00 0.00 C ATOM 624 CD2 LEU A 39 -5.835 -11.714 -1.494 1.00 0.00 C ATOM 0 H LEU A 39 -3.487 -11.807 -1.341 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.929 -11.625 -4.048 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.626 -9.723 -1.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.176 -9.148 -3.236 1.00 0.00 H new ATOM 0 HG LEU A 39 -5.860 -9.621 -1.446 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -7.546 -10.526 -3.133 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -6.501 -9.258 -3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -6.184 -10.970 -4.188 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -6.897 -11.839 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.497 -12.524 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -5.273 -11.735 -0.561 1.00 0.00 H new ATOM 636 N LEU A 40 -0.958 -10.561 -3.366 1.00 0.00 N ATOM 637 CA LEU A 40 0.278 -10.090 -3.974 1.00 0.00 C ATOM 638 C LEU A 40 0.631 -10.927 -5.206 1.00 0.00 C ATOM 639 O LEU A 40 1.234 -10.403 -6.137 1.00 0.00 O ATOM 640 CB LEU A 40 1.452 -10.209 -2.986 1.00 0.00 C ATOM 641 CG LEU A 40 1.210 -9.587 -1.606 1.00 0.00 C ATOM 642 CD1 LEU A 40 2.474 -9.730 -0.751 1.00 0.00 C ATOM 643 CD2 LEU A 40 0.819 -8.111 -1.702 1.00 0.00 C ATOM 0 H LEU A 40 -0.844 -10.891 -2.408 1.00 0.00 H new ATOM 0 HA LEU A 40 0.119 -9.049 -4.254 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.689 -11.265 -2.854 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.329 -9.738 -3.430 1.00 0.00 H new ATOM 0 HG LEU A 40 0.379 -10.119 -1.143 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.302 -9.288 0.230 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.717 -10.786 -0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 40 3.303 -9.218 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.657 -7.712 -0.701 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.619 -7.554 -2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -0.098 -8.015 -2.284 1.00 0.00 H new ATOM 655 N LYS A 41 0.262 -12.218 -5.204 1.00 0.00 N ATOM 656 CA LYS A 41 0.543 -13.173 -6.269 1.00 0.00 C ATOM 657 C LYS A 41 1.997 -13.036 -6.745 1.00 0.00 C ATOM 658 O LYS A 41 2.293 -12.979 -7.935 1.00 0.00 O ATOM 659 CB LYS A 41 -0.509 -12.970 -7.362 1.00 0.00 C ATOM 660 CG LYS A 41 -1.871 -13.563 -6.968 1.00 0.00 C ATOM 661 CD LYS A 41 -1.957 -15.075 -7.231 1.00 0.00 C ATOM 662 CE LYS A 41 -2.615 -15.402 -8.582 1.00 0.00 C ATOM 663 NZ LYS A 41 -1.916 -14.783 -9.721 1.00 0.00 N ATOM 0 H LYS A 41 -0.258 -12.632 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 41 0.465 -14.204 -5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.622 -11.905 -7.563 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.165 -13.434 -8.286 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.054 -13.371 -5.911 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.659 -13.056 -7.525 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.955 -15.502 -7.206 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -2.525 -15.548 -6.430 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.636 -16.483 -8.719 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -3.651 -15.062 -8.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.207 -15.251 -10.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.158 -13.773 -9.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.889 -14.888 -9.596 1.00 0.00 H new ATOM 677 N GLY A 42 2.904 -12.984 -5.769 1.00 0.00 N ATOM 678 CA GLY A 42 4.336 -12.838 -5.920 1.00 0.00 C ATOM 679 C GLY A 42 4.915 -12.842 -4.508 1.00 0.00 C ATOM 680 O GLY A 42 4.167 -13.034 -3.550 1.00 0.00 O ATOM 0 H GLY A 42 2.630 -13.048 -4.789 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.750 -13.653 -6.513 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.580 -11.911 -6.438 1.00 0.00 H new ATOM 684 N GLY A 43 6.223 -12.632 -4.356 1.00 0.00 N ATOM 685 CA GLY A 43 6.844 -12.645 -3.042 1.00 0.00 C ATOM 686 C GLY A 43 8.351 -12.543 -3.200 1.00 0.00 C ATOM 687 O GLY A 43 9.080 -13.487 -2.917 1.00 0.00 O ATOM 0 H GLY A 43 6.866 -12.452 -5.127 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.472 -11.814 -2.443 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.583 -13.561 -2.513 1.00 0.00 H new ATOM 691 N SER A 44 8.811 -11.386 -3.671 1.00 0.00 N ATOM 692 CA SER A 44 10.215 -11.109 -3.898 1.00 0.00 C ATOM 693 C SER A 44 10.881 -10.852 -2.549 1.00 0.00 C ATOM 694 O SER A 44 11.629 -11.681 -2.034 1.00 0.00 O ATOM 695 CB SER A 44 10.271 -9.902 -4.837 1.00 0.00 C ATOM 696 OG SER A 44 9.403 -8.887 -4.353 1.00 0.00 O ATOM 0 H SER A 44 8.201 -10.604 -3.908 1.00 0.00 H new ATOM 0 HA SER A 44 10.752 -11.938 -4.360 1.00 0.00 H new ATOM 0 HB2 SER A 44 11.291 -9.524 -4.900 1.00 0.00 H new ATOM 0 HB3 SER A 44 9.977 -10.197 -5.844 1.00 0.00 H new ATOM 0 HG SER A 44 9.439 -8.113 -4.952 1.00 0.00 H new ATOM 702 N THR A 45 10.606 -9.687 -1.969 1.00 0.00 N ATOM 703 CA THR A 45 11.087 -9.258 -0.664 1.00 0.00 C ATOM 704 C THR A 45 10.339 -7.977 -0.300 1.00 0.00 C ATOM 705 O THR A 45 9.906 -7.245 -1.190 1.00 0.00 O ATOM 706 CB THR A 45 12.614 -9.024 -0.619 1.00 0.00 C ATOM 707 OG1 THR A 45 13.303 -9.587 -1.714 1.00 0.00 O ATOM 708 CG2 THR A 45 13.218 -9.597 0.666 1.00 0.00 C ATOM 0 H THR A 45 10.015 -8.987 -2.418 1.00 0.00 H new ATOM 0 HA THR A 45 10.895 -10.054 0.056 1.00 0.00 H new ATOM 0 HB THR A 45 12.737 -7.942 -0.659 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.081 -10.539 -1.786 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.293 -9.419 0.673 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.764 -9.111 1.530 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.027 -10.669 0.711 1.00 0.00 H new ATOM 716 N LEU A 46 10.195 -7.702 1.000 1.00 0.00 N ATOM 717 CA LEU A 46 9.513 -6.512 1.493 1.00 0.00 C ATOM 718 C LEU A 46 10.109 -5.267 0.843 1.00 0.00 C ATOM 719 O LEU A 46 9.388 -4.457 0.273 1.00 0.00 O ATOM 720 CB LEU A 46 9.632 -6.433 3.024 1.00 0.00 C ATOM 721 CG LEU A 46 9.076 -5.126 3.625 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.579 -4.956 3.337 1.00 0.00 C ATOM 723 CD2 LEU A 46 9.332 -5.122 5.136 1.00 0.00 C ATOM 0 H LEU A 46 10.552 -8.306 1.741 1.00 0.00 H new ATOM 0 HA LEU A 46 8.456 -6.569 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 46 9.103 -7.278 3.464 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.681 -6.533 3.303 1.00 0.00 H new ATOM 0 HG LEU A 46 9.589 -4.286 3.157 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.227 -4.023 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.416 -4.932 2.259 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.028 -5.792 3.769 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.942 -4.201 5.569 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.833 -5.977 5.592 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.404 -5.185 5.324 1.00 0.00 H new ATOM 735 N ASP A 47 11.432 -5.123 0.937 1.00 0.00 N ATOM 736 CA ASP A 47 12.158 -3.994 0.397 1.00 0.00 C ATOM 737 C ASP A 47 11.936 -3.898 -1.101 1.00 0.00 C ATOM 738 O ASP A 47 11.588 -2.832 -1.569 1.00 0.00 O ATOM 739 CB ASP A 47 13.648 -4.076 0.736 1.00 0.00 C ATOM 740 CG ASP A 47 14.370 -2.842 0.203 1.00 0.00 C ATOM 741 OD1 ASP A 47 14.104 -1.752 0.757 1.00 0.00 O ATOM 742 OD2 ASP A 47 15.156 -3.008 -0.753 1.00 0.00 O ATOM 0 H ASP A 47 12.031 -5.806 1.401 1.00 0.00 H new ATOM 0 HA ASP A 47 11.774 -3.085 0.860 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.781 -4.148 1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.080 -4.977 0.301 1.00 0.00 H new ATOM 747 N GLU A 48 12.117 -4.982 -1.852 1.00 0.00 N ATOM 748 CA GLU A 48 11.911 -4.964 -3.296 1.00 0.00 C ATOM 749 C GLU A 48 10.503 -4.455 -3.627 1.00 0.00 C ATOM 750 O GLU A 48 10.329 -3.540 -4.430 1.00 0.00 O ATOM 751 CB GLU A 48 12.137 -6.370 -3.874 1.00 0.00 C ATOM 752 CG GLU A 48 13.563 -6.892 -3.643 1.00 0.00 C ATOM 753 CD GLU A 48 14.615 -6.016 -4.313 1.00 0.00 C ATOM 754 OE1 GLU A 48 14.660 -6.041 -5.561 1.00 0.00 O ATOM 755 OE2 GLU A 48 15.346 -5.332 -3.565 1.00 0.00 O ATOM 0 H GLU A 48 12.407 -5.887 -1.481 1.00 0.00 H new ATOM 0 HA GLU A 48 12.631 -4.284 -3.751 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.425 -7.061 -3.422 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.931 -6.354 -4.944 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.761 -6.939 -2.572 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.642 -7.909 -4.027 1.00 0.00 H new ATOM 762 N LEU A 49 9.493 -5.050 -2.994 1.00 0.00 N ATOM 763 CA LEU A 49 8.102 -4.694 -3.208 1.00 0.00 C ATOM 764 C LEU A 49 7.847 -3.227 -2.860 1.00 0.00 C ATOM 765 O LEU A 49 7.428 -2.441 -3.708 1.00 0.00 O ATOM 766 CB LEU A 49 7.224 -5.667 -2.407 1.00 0.00 C ATOM 767 CG LEU A 49 5.741 -5.279 -2.384 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.146 -5.192 -3.795 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.961 -6.321 -1.578 1.00 0.00 C ATOM 0 H LEU A 49 9.624 -5.798 -2.314 1.00 0.00 H new ATOM 0 HA LEU A 49 7.843 -4.789 -4.263 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.323 -6.666 -2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.594 -5.718 -1.383 1.00 0.00 H new ATOM 0 HG LEU A 49 5.662 -4.293 -1.925 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.094 -4.914 -3.730 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.685 -4.440 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.236 -6.160 -4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.905 -6.050 -1.558 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.076 -7.300 -2.042 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.346 -6.355 -0.559 1.00 0.00 H new ATOM 781 N PHE A 50 8.105 -2.847 -1.611 1.00 0.00 N ATOM 782 CA PHE A 50 7.937 -1.492 -1.138 1.00 0.00 C ATOM 783 C PHE A 50 8.755 -0.542 -2.010 1.00 0.00 C ATOM 784 O PHE A 50 8.304 0.565 -2.254 1.00 0.00 O ATOM 785 CB PHE A 50 8.363 -1.425 0.333 1.00 0.00 C ATOM 786 CG PHE A 50 8.749 -0.039 0.778 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.770 0.899 1.140 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.076 0.371 0.578 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.145 2.228 1.399 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.442 1.709 0.787 1.00 0.00 C ATOM 791 CZ PHE A 50 9.479 2.632 1.222 1.00 0.00 C ATOM 0 H PHE A 50 8.442 -3.489 -0.894 1.00 0.00 H new ATOM 0 HA PHE A 50 6.893 -1.187 -1.207 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.546 -1.785 0.958 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.206 -2.098 0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.735 0.601 1.219 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.819 -0.347 0.262 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.406 2.941 1.735 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.460 2.027 0.614 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.764 3.655 1.421 1.00 0.00 H new ATOM 801 N GLU A 51 9.936 -0.943 -2.486 1.00 0.00 N ATOM 802 CA GLU A 51 10.749 -0.071 -3.333 1.00 0.00 C ATOM 803 C GLU A 51 10.062 0.144 -4.676 1.00 0.00 C ATOM 804 O GLU A 51 10.012 1.273 -5.151 1.00 0.00 O ATOM 805 CB GLU A 51 12.174 -0.610 -3.533 1.00 0.00 C ATOM 806 CG GLU A 51 13.088 -0.326 -2.332 1.00 0.00 C ATOM 807 CD GLU A 51 13.512 1.138 -2.268 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.360 1.518 -3.104 1.00 0.00 O ATOM 809 OE2 GLU A 51 12.984 1.849 -1.388 1.00 0.00 O ATOM 0 H GLU A 51 10.347 -1.858 -2.301 1.00 0.00 H new ATOM 0 HA GLU A 51 10.843 0.886 -2.820 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.131 -1.685 -3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.606 -0.161 -4.427 1.00 0.00 H new ATOM 0 HG2 GLU A 51 12.570 -0.594 -1.411 1.00 0.00 H new ATOM 0 HG3 GLU A 51 13.974 -0.957 -2.394 1.00 0.00 H new ATOM 816 N GLU A 52 9.516 -0.916 -5.284 1.00 0.00 N ATOM 817 CA GLU A 52 8.796 -0.776 -6.543 1.00 0.00 C ATOM 818 C GLU A 52 7.667 0.223 -6.309 1.00 0.00 C ATOM 819 O GLU A 52 7.426 1.126 -7.103 1.00 0.00 O ATOM 820 CB GLU A 52 8.242 -2.143 -6.980 1.00 0.00 C ATOM 821 CG GLU A 52 7.106 -2.042 -8.016 1.00 0.00 C ATOM 822 CD GLU A 52 7.516 -1.321 -9.299 1.00 0.00 C ATOM 823 OE1 GLU A 52 8.673 -1.525 -9.727 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.654 -0.594 -9.839 1.00 0.00 O ATOM 0 H GLU A 52 9.561 -1.869 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 52 9.452 -0.419 -7.337 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.053 -2.738 -7.399 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.876 -2.676 -6.102 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.762 -3.046 -8.266 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.261 -1.518 -7.568 1.00 0.00 H new ATOM 831 N LEU A 53 6.973 0.027 -5.193 1.00 0.00 N ATOM 832 CA LEU A 53 5.859 0.847 -4.776 1.00 0.00 C ATOM 833 C LEU A 53 6.259 2.297 -4.487 1.00 0.00 C ATOM 834 O LEU A 53 5.563 3.215 -4.909 1.00 0.00 O ATOM 835 CB LEU A 53 5.210 0.158 -3.570 1.00 0.00 C ATOM 836 CG LEU A 53 4.113 -0.789 -4.067 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.880 -1.880 -3.026 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.822 -0.011 -4.347 1.00 0.00 C ATOM 0 H LEU A 53 7.182 -0.729 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 53 5.138 0.930 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.959 -0.397 -3.005 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.788 0.901 -2.894 1.00 0.00 H new ATOM 0 HG LEU A 53 4.429 -1.254 -5.001 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.100 -2.556 -3.376 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.803 -2.439 -2.872 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.571 -1.425 -2.085 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.052 -0.698 -4.699 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.484 0.474 -3.431 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.011 0.745 -5.110 1.00 0.00 H new ATOM 850 N ASP A 54 7.363 2.538 -3.781 1.00 0.00 N ATOM 851 CA ASP A 54 7.832 3.868 -3.425 1.00 0.00 C ATOM 852 C ASP A 54 8.536 4.459 -4.646 1.00 0.00 C ATOM 853 O ASP A 54 9.730 4.743 -4.603 1.00 0.00 O ATOM 854 CB ASP A 54 8.748 3.800 -2.185 1.00 0.00 C ATOM 855 CG ASP A 54 9.194 5.183 -1.691 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.755 6.194 -2.281 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.994 5.229 -0.730 1.00 0.00 O ATOM 0 H ASP A 54 7.967 1.793 -3.434 1.00 0.00 H new ATOM 0 HA ASP A 54 7.000 4.518 -3.152 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.223 3.285 -1.380 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.629 3.204 -2.423 1.00 0.00 H new ATOM 862 N LYS A 55 7.795 4.655 -5.740 1.00 0.00 N ATOM 863 CA LYS A 55 8.351 5.185 -6.981 1.00 0.00 C ATOM 864 C LYS A 55 8.965 6.567 -6.750 1.00 0.00 C ATOM 865 O LYS A 55 9.914 6.950 -7.429 1.00 0.00 O ATOM 866 CB LYS A 55 7.292 5.221 -8.092 1.00 0.00 C ATOM 867 CG LYS A 55 6.757 3.821 -8.414 1.00 0.00 C ATOM 868 CD LYS A 55 5.627 3.798 -9.454 1.00 0.00 C ATOM 869 CE LYS A 55 6.000 4.428 -10.802 1.00 0.00 C ATOM 870 NZ LYS A 55 5.773 5.886 -10.819 1.00 0.00 N ATOM 0 H LYS A 55 6.797 4.451 -5.787 1.00 0.00 H new ATOM 0 HA LYS A 55 9.146 4.516 -7.311 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.467 5.864 -7.787 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.723 5.661 -8.991 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.580 3.205 -8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 55 6.396 3.362 -7.493 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.323 2.765 -9.620 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.763 4.323 -9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 55 7.048 4.223 -11.019 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.413 3.962 -11.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.113 6.126 -11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.369 6.185 -9.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.677 6.376 -10.974 1.00 0.00 H new ATOM 884 N ASN A 56 8.429 7.314 -5.783 1.00 0.00 N ATOM 885 CA ASN A 56 8.925 8.635 -5.435 1.00 0.00 C ATOM 886 C ASN A 56 10.254 8.544 -4.672 1.00 0.00 C ATOM 887 O ASN A 56 10.997 9.518 -4.631 1.00 0.00 O ATOM 888 CB ASN A 56 7.860 9.365 -4.612 1.00 0.00 C ATOM 889 CG ASN A 56 8.222 10.828 -4.379 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.580 11.553 -5.296 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.118 11.306 -3.150 1.00 0.00 N ATOM 0 H ASN A 56 7.634 7.012 -5.219 1.00 0.00 H new ATOM 0 HA ASN A 56 9.121 9.199 -6.347 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.901 9.306 -5.127 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.738 8.864 -3.652 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.337 12.285 -2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.819 10.696 -2.389 1.00 0.00 H new ATOM 898 N GLY A 57 10.563 7.390 -4.067 1.00 0.00 N ATOM 899 CA GLY A 57 11.788 7.159 -3.319 1.00 0.00 C ATOM 900 C GLY A 57 11.919 8.164 -2.181 1.00 0.00 C ATOM 901 O GLY A 57 12.866 8.945 -2.161 1.00 0.00 O ATOM 0 H GLY A 57 9.948 6.577 -4.089 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.790 6.145 -2.918 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.648 7.241 -3.984 1.00 0.00 H new ATOM 905 N ASP A 58 10.973 8.147 -1.234 1.00 0.00 N ATOM 906 CA ASP A 58 10.967 9.100 -0.121 1.00 0.00 C ATOM 907 C ASP A 58 10.964 8.421 1.244 1.00 0.00 C ATOM 908 O ASP A 58 11.007 9.108 2.260 1.00 0.00 O ATOM 909 CB ASP A 58 9.799 10.086 -0.262 1.00 0.00 C ATOM 910 CG ASP A 58 8.423 9.443 -0.104 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.154 8.917 0.998 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.650 9.515 -1.084 1.00 0.00 O ATOM 0 H ASP A 58 10.200 7.481 -1.218 1.00 0.00 H new ATOM 0 HA ASP A 58 11.902 9.658 -0.175 1.00 0.00 H new ATOM 0 HB2 ASP A 58 9.909 10.873 0.484 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.856 10.564 -1.240 1.00 0.00 H new ATOM 917 N GLY A 59 10.902 7.090 1.282 1.00 0.00 N ATOM 918 CA GLY A 59 10.867 6.350 2.533 1.00 0.00 C ATOM 919 C GLY A 59 9.463 5.814 2.787 1.00 0.00 C ATOM 920 O GLY A 59 9.303 4.877 3.568 1.00 0.00 O ATOM 0 H GLY A 59 10.875 6.502 0.449 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.578 5.525 2.496 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.172 6.997 3.356 1.00 0.00 H new ATOM 924 N GLU A 60 8.441 6.381 2.132 1.00 0.00 N ATOM 925 CA GLU A 60 7.084 5.918 2.244 1.00 0.00 C ATOM 926 C GLU A 60 6.445 5.864 0.854 1.00 0.00 C ATOM 927 O GLU A 60 6.916 6.483 -0.092 1.00 0.00 O ATOM 928 CB GLU A 60 6.308 6.885 3.137 1.00 0.00 C ATOM 929 CG GLU A 60 7.063 7.352 4.387 1.00 0.00 C ATOM 930 CD GLU A 60 6.169 8.209 5.278 1.00 0.00 C ATOM 931 OE1 GLU A 60 5.960 9.388 4.910 1.00 0.00 O ATOM 932 OE2 GLU A 60 5.704 7.667 6.303 1.00 0.00 O ATOM 0 H GLU A 60 8.552 7.180 1.508 1.00 0.00 H new ATOM 0 HA GLU A 60 7.064 4.919 2.680 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.032 7.760 2.548 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.380 6.405 3.448 1.00 0.00 H new ATOM 0 HG2 GLU A 60 7.417 6.486 4.947 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.943 7.923 4.092 1.00 0.00 H new ATOM 939 N VAL A 61 5.346 5.128 0.769 1.00 0.00 N ATOM 940 CA VAL A 61 4.476 4.952 -0.384 1.00 0.00 C ATOM 941 C VAL A 61 3.349 5.969 -0.155 1.00 0.00 C ATOM 942 O VAL A 61 3.300 6.591 0.899 1.00 0.00 O ATOM 943 CB VAL A 61 3.943 3.495 -0.404 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.224 3.131 -1.708 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.086 2.490 -0.224 1.00 0.00 C ATOM 0 H VAL A 61 5.013 4.595 1.572 1.00 0.00 H new ATOM 0 HA VAL A 61 4.971 5.113 -1.342 1.00 0.00 H new ATOM 0 HB VAL A 61 3.233 3.442 0.421 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.876 2.099 -1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.371 3.795 -1.851 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.913 3.240 -2.546 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.685 1.476 -0.242 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.806 2.610 -1.033 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.580 2.668 0.731 1.00 0.00 H new ATOM 955 N SER A 62 2.418 6.154 -1.085 1.00 0.00 N ATOM 956 CA SER A 62 1.266 7.030 -0.911 1.00 0.00 C ATOM 957 C SER A 62 0.156 6.437 -1.761 1.00 0.00 C ATOM 958 O SER A 62 0.455 5.581 -2.593 1.00 0.00 O ATOM 959 CB SER A 62 1.571 8.476 -1.315 1.00 0.00 C ATOM 960 OG SER A 62 1.838 8.544 -2.699 1.00 0.00 O ATOM 0 H SER A 62 2.443 5.692 -1.994 1.00 0.00 H new ATOM 0 HA SER A 62 0.978 7.083 0.139 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.725 9.118 -1.067 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.428 8.847 -0.752 1.00 0.00 H new ATOM 0 HG SER A 62 2.030 9.472 -2.950 1.00 0.00 H new ATOM 966 N PHE A 63 -1.095 6.866 -1.575 1.00 0.00 N ATOM 967 CA PHE A 63 -2.211 6.358 -2.365 1.00 0.00 C ATOM 968 C PHE A 63 -1.846 6.362 -3.851 1.00 0.00 C ATOM 969 O PHE A 63 -2.074 5.378 -4.552 1.00 0.00 O ATOM 970 CB PHE A 63 -3.497 7.112 -2.053 1.00 0.00 C ATOM 971 CG PHE A 63 -4.676 6.670 -2.897 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.891 7.220 -4.175 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.442 5.568 -2.477 1.00 0.00 C ATOM 974 CE1 PHE A 63 -5.899 6.694 -5.004 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.530 5.128 -3.253 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.782 5.720 -4.502 1.00 0.00 C ATOM 0 H PHE A 63 -1.357 7.566 -0.881 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.406 5.322 -2.090 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.743 6.976 -1.000 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.330 8.178 -2.206 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.283 8.044 -4.518 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.195 5.059 -1.557 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -5.995 7.037 -6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -7.170 4.337 -2.890 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.650 5.429 -5.075 1.00 0.00 H new ATOM 986 N GLU A 64 -1.245 7.469 -4.293 1.00 0.00 N ATOM 987 CA GLU A 64 -0.773 7.695 -5.648 1.00 0.00 C ATOM 988 C GLU A 64 -0.048 6.466 -6.205 1.00 0.00 C ATOM 989 O GLU A 64 -0.425 5.915 -7.235 1.00 0.00 O ATOM 990 CB GLU A 64 0.191 8.899 -5.630 1.00 0.00 C ATOM 991 CG GLU A 64 0.446 9.453 -7.038 1.00 0.00 C ATOM 992 CD GLU A 64 -0.815 10.045 -7.663 1.00 0.00 C ATOM 993 OE1 GLU A 64 -1.314 11.039 -7.093 1.00 0.00 O ATOM 994 OE2 GLU A 64 -1.262 9.484 -8.686 1.00 0.00 O ATOM 0 H GLU A 64 -1.069 8.266 -3.681 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.630 7.892 -6.292 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.224 9.686 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.138 8.598 -5.182 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.220 10.219 -6.990 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.826 8.656 -7.677 1.00 0.00 H new ATOM 1001 N GLU A 65 1.010 6.049 -5.511 1.00 0.00 N ATOM 1002 CA GLU A 65 1.857 4.948 -5.943 1.00 0.00 C ATOM 1003 C GLU A 65 1.166 3.624 -5.642 1.00 0.00 C ATOM 1004 O GLU A 65 1.279 2.664 -6.397 1.00 0.00 O ATOM 1005 CB GLU A 65 3.260 4.993 -5.306 1.00 0.00 C ATOM 1006 CG GLU A 65 3.715 6.321 -4.679 1.00 0.00 C ATOM 1007 CD GLU A 65 5.105 6.752 -5.131 1.00 0.00 C ATOM 1008 OE1 GLU A 65 5.186 7.317 -6.240 1.00 0.00 O ATOM 1009 OE2 GLU A 65 6.062 6.537 -4.355 1.00 0.00 O ATOM 0 H GLU A 65 1.302 6.470 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 65 2.006 5.046 -7.018 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.303 4.225 -4.534 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.985 4.717 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.998 7.101 -4.936 1.00 0.00 H new ATOM 0 HG3 GLU A 65 3.706 6.225 -3.593 1.00 0.00 H new ATOM 1016 N PHE A 66 0.436 3.582 -4.527 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.306 2.406 -4.090 1.00 0.00 C ATOM 1018 C PHE A 66 -1.241 1.910 -5.197 1.00 0.00 C ATOM 1019 O PHE A 66 -1.522 0.714 -5.255 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.013 2.713 -2.767 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.148 1.792 -2.370 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.908 0.427 -2.130 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.453 2.303 -2.246 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.978 -0.426 -1.811 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.506 1.464 -1.850 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.270 0.096 -1.639 1.00 0.00 C ATOM 0 H PHE A 66 0.344 4.377 -3.895 1.00 0.00 H new ATOM 0 HA PHE A 66 0.376 1.578 -3.898 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.268 2.696 -1.972 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.402 3.730 -2.818 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.903 0.035 -2.191 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.645 3.345 -2.456 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.806 -1.486 -1.698 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.497 1.870 -1.708 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.081 -0.554 -1.345 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.699 2.787 -6.101 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.514 2.345 -7.229 1.00 0.00 C ATOM 1038 C GLN A 67 -1.827 1.222 -8.020 1.00 0.00 C ATOM 1039 O GLN A 67 -2.500 0.366 -8.590 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.037 3.503 -8.099 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.719 4.615 -7.300 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.731 4.024 -6.330 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -5.849 3.687 -6.698 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.355 3.874 -5.074 1.00 0.00 N ATOM 0 H GLN A 67 -1.520 3.791 -6.071 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.419 1.905 -6.811 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.205 3.929 -8.659 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.743 3.107 -8.829 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.972 5.189 -6.752 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.217 5.307 -7.979 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.420 4.160 -4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.000 3.472 -4.393 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.491 1.180 -8.027 1.00 0.00 N ATOM 1054 CA VAL A 68 0.243 0.096 -8.662 1.00 0.00 C ATOM 1055 C VAL A 68 -0.177 -1.215 -7.986 1.00 0.00 C ATOM 1056 O VAL A 68 -0.432 -2.207 -8.663 1.00 0.00 O ATOM 1057 CB VAL A 68 1.761 0.341 -8.572 1.00 0.00 C ATOM 1058 CG1 VAL A 68 2.556 -0.844 -9.138 1.00 0.00 C ATOM 1059 CG2 VAL A 68 2.147 1.601 -9.358 1.00 0.00 C ATOM 0 H VAL A 68 0.101 1.890 -7.596 1.00 0.00 H new ATOM 0 HA VAL A 68 0.008 0.040 -9.725 1.00 0.00 H new ATOM 0 HB VAL A 68 2.004 0.464 -7.517 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.623 -0.637 -9.059 1.00 0.00 H new ATOM 0 HG12 VAL A 68 2.318 -1.745 -8.573 1.00 0.00 H new ATOM 0 HG13 VAL A 68 2.292 -0.992 -10.185 1.00 0.00 H new ATOM 0 HG21 VAL A 68 3.223 1.760 -9.285 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.869 1.476 -10.405 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.623 2.463 -8.944 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.289 -1.241 -6.654 1.00 0.00 N ATOM 1070 CA LEU A 69 -0.718 -2.453 -5.977 1.00 0.00 C ATOM 1071 C LEU A 69 -2.207 -2.672 -6.238 1.00 0.00 C ATOM 1072 O LEU A 69 -2.617 -3.805 -6.473 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.405 -2.463 -4.482 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.607 -3.898 -3.955 1.00 0.00 C ATOM 1075 CD1 LEU A 69 0.702 -4.458 -3.404 1.00 0.00 C ATOM 1076 CD2 LEU A 69 -1.731 -3.950 -2.923 1.00 0.00 C ATOM 0 H LEU A 69 -0.092 -0.451 -6.040 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.143 -3.281 -6.391 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.619 -2.135 -4.306 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.058 -1.769 -3.953 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.909 -4.533 -4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.538 -5.471 -3.037 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.452 -4.475 -4.195 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.052 -3.828 -2.586 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.852 -4.973 -2.568 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.484 -3.301 -2.083 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.661 -3.612 -3.381 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.020 -1.606 -6.221 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.444 -1.724 -6.557 1.00 0.00 C ATOM 1090 C VAL A 70 -4.580 -2.447 -7.905 1.00 0.00 C ATOM 1091 O VAL A 70 -5.511 -3.217 -8.113 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.161 -0.365 -6.557 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -6.627 -0.516 -6.984 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.097 0.278 -5.164 1.00 0.00 C ATOM 0 H VAL A 70 -2.719 -0.662 -5.981 1.00 0.00 H new ATOM 0 HA VAL A 70 -4.938 -2.313 -5.784 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.651 0.278 -7.274 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.111 0.461 -6.975 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -6.672 -0.934 -7.990 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.141 -1.182 -6.291 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.610 1.240 -5.183 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.580 -0.377 -4.439 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.055 0.428 -4.880 1.00 0.00 H new ATOM 1104 N LYS A 71 -3.640 -2.224 -8.825 1.00 0.00 N ATOM 1105 CA LYS A 71 -3.615 -2.952 -10.077 1.00 0.00 C ATOM 1106 C LYS A 71 -3.090 -4.378 -9.835 1.00 0.00 C ATOM 1107 O LYS A 71 -3.680 -5.342 -10.324 1.00 0.00 O ATOM 1108 CB LYS A 71 -2.771 -2.185 -11.105 1.00 0.00 C ATOM 1109 CG LYS A 71 -2.815 -2.852 -12.485 1.00 0.00 C ATOM 1110 CD LYS A 71 -2.005 -2.027 -13.493 1.00 0.00 C ATOM 1111 CE LYS A 71 -2.100 -2.605 -14.910 1.00 0.00 C ATOM 1112 NZ LYS A 71 -1.537 -3.965 -14.992 1.00 0.00 N ATOM 0 H LYS A 71 -2.889 -1.542 -8.718 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.623 -3.039 -10.483 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.136 -1.161 -11.184 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -1.739 -2.130 -10.760 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -2.412 -3.863 -12.422 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.848 -2.941 -12.822 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -2.367 -0.999 -13.495 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -0.961 -1.997 -13.182 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.144 -2.625 -15.224 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.571 -1.952 -15.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.528 -4.278 -15.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.565 -3.961 -14.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.120 -4.617 -14.428 1.00 0.00 H new ATOM 1126 N LYS A 72 -1.988 -4.550 -9.092 1.00 0.00 N ATOM 1127 CA LYS A 72 -1.362 -5.832 -8.896 1.00 0.00 C ATOM 1128 C LYS A 72 -2.203 -6.824 -8.109 1.00 0.00 C ATOM 1129 O LYS A 72 -1.978 -8.020 -8.233 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.014 -5.645 -8.228 1.00 0.00 C ATOM 1131 CG LYS A 72 1.007 -4.894 -9.090 1.00 0.00 C ATOM 1132 CD LYS A 72 1.875 -5.909 -9.837 1.00 0.00 C ATOM 1133 CE LYS A 72 2.853 -5.197 -10.776 1.00 0.00 C ATOM 1134 NZ LYS A 72 3.713 -6.160 -11.485 1.00 0.00 N ATOM 0 H LYS A 72 -1.514 -3.785 -8.612 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.243 -6.268 -9.888 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.155 -5.102 -7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.392 -6.623 -7.971 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.495 -4.244 -9.799 1.00 0.00 H new ATOM 0 HG3 LYS A 72 1.630 -4.255 -8.464 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.428 -6.518 -9.122 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.241 -6.586 -10.409 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.297 -4.602 -11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.472 -4.506 -10.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 4.364 -5.647 -12.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.261 -6.711 -10.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.122 -6.803 -12.050 1.00 0.00 H new ATOM 1148 N ILE A 73 -3.181 -6.397 -7.317 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.036 -7.380 -6.655 1.00 0.00 C ATOM 1150 C ILE A 73 -4.761 -8.211 -7.731 1.00 0.00 C ATOM 1151 O ILE A 73 -5.091 -9.373 -7.511 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.020 -6.707 -5.698 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -5.704 -5.515 -6.368 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -4.289 -6.228 -4.436 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.114 -5.297 -5.847 1.00 0.00 C ATOM 0 H ILE A 73 -3.398 -5.420 -7.122 1.00 0.00 H new ATOM 0 HA ILE A 73 -3.423 -8.045 -6.046 1.00 0.00 H new ATOM 0 HB ILE A 73 -5.778 -7.441 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.112 -4.616 -6.198 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -5.737 -5.676 -7.446 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.001 -5.750 -3.762 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -3.831 -7.081 -3.935 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -3.515 -5.512 -4.713 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.560 -4.440 -6.352 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.715 -6.185 -6.041 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.080 -5.109 -4.774 1.00 0.00 H new ATOM 1167 N SER A 74 -4.968 -7.612 -8.911 1.00 0.00 N ATOM 1168 CA SER A 74 -5.563 -8.226 -10.086 1.00 0.00 C ATOM 1169 C SER A 74 -4.476 -8.429 -11.152 1.00 0.00 C ATOM 1170 O SER A 74 -4.781 -8.446 -12.343 1.00 0.00 O ATOM 1171 CB SER A 74 -6.694 -7.321 -10.597 1.00 0.00 C ATOM 1172 OG SER A 74 -7.357 -7.925 -11.689 1.00 0.00 O ATOM 0 H SER A 74 -4.709 -6.638 -9.071 1.00 0.00 H new ATOM 0 HA SER A 74 -5.985 -9.201 -9.844 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.405 -7.129 -9.793 1.00 0.00 H new ATOM 0 HB3 SER A 74 -6.287 -6.356 -10.900 1.00 0.00 H new ATOM 0 HG SER A 74 -6.695 -8.301 -12.306 1.00 0.00 H new ATOM 1178 N GLN A 75 -3.210 -8.581 -10.743 1.00 0.00 N ATOM 1179 CA GLN A 75 -2.073 -8.783 -11.639 1.00 0.00 C ATOM 1180 C GLN A 75 -2.374 -9.832 -12.716 1.00 0.00 C ATOM 1181 O GLN A 75 -1.465 -10.299 -13.400 1.00 0.00 O ATOM 1182 CB GLN A 75 -0.782 -9.109 -10.853 1.00 0.00 C ATOM 1183 CG GLN A 75 -0.703 -10.510 -10.216 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.031 -11.090 -9.722 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.571 -12.013 -10.316 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -2.592 -10.577 -8.640 1.00 0.00 N ATOM 0 H GLN A 75 -2.946 -8.566 -9.758 1.00 0.00 H new ATOM 0 HA GLN A 75 -1.900 -7.841 -12.160 1.00 0.00 H new ATOM 0 HB2 GLN A 75 0.067 -8.992 -11.527 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.667 -8.367 -10.063 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.277 -11.198 -10.946 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -0.011 -10.468 -9.375 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -2.139 -9.807 -8.147 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.477 -10.951 -8.299 1.00 0.00 H new TER 1195 GLN A 75