USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 416 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 SER OG : rot 17:sc= 0.771 USER MOD Single : A 7 LYS NZ :NH3+ 137:sc= 0.105 (180deg=-0.146) USER MOD Single : A 12 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.102) USER MOD Single : A 13 TYR OH : rot -170:sc= 1.25 USER MOD Single : A 22 GLN : amide:sc= -0.71 K(o=-0.71,f=-0.04) USER MOD Single : A 24 SER OG : rot -30:sc= 1.25 USER MOD Single : A 25 LYS NZ :NH3+ -128:sc= 0.618 (180deg=-0.000202) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 1.02 K(o=1,f=-0.0027) USER MOD Single : A 34 THR OG1 : rot 76:sc= 1.19 USER MOD Single : A 55 LYS NZ :NH3+ -137:sc= -0.141 (180deg=-1.1) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0471 USER MOD Single : A 67 GLN : amide:sc= 1.34 K(o=1.3,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 25 N SER A 2 2.876 -0.365 -1.789 1.00 0.00 N ATOM 26 CA SER A 2 2.709 -1.581 -2.561 1.00 0.00 C ATOM 27 C SER A 2 2.262 -1.303 -3.997 1.00 0.00 C ATOM 28 O SER A 2 2.936 -1.774 -4.904 1.00 0.00 O ATOM 29 CB SER A 2 1.795 -2.571 -1.830 1.00 0.00 C ATOM 30 OG SER A 2 1.499 -2.107 -0.523 1.00 0.00 O ATOM 0 HA SER A 2 3.687 -2.055 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 2 0.871 -2.704 -2.392 1.00 0.00 H new ATOM 0 HB3 SER A 2 2.278 -3.547 -1.775 1.00 0.00 H new ATOM 0 HG SER A 2 1.704 -1.151 -0.461 1.00 0.00 H new ATOM 36 N PRO A 3 1.173 -0.554 -4.246 1.00 0.00 N ATOM 37 CA PRO A 3 0.742 -0.229 -5.601 1.00 0.00 C ATOM 38 C PRO A 3 1.896 0.277 -6.473 1.00 0.00 C ATOM 39 O PRO A 3 2.122 -0.236 -7.567 1.00 0.00 O ATOM 40 CB PRO A 3 -0.375 0.807 -5.444 1.00 0.00 C ATOM 41 CG PRO A 3 -0.966 0.455 -4.078 1.00 0.00 C ATOM 42 CD PRO A 3 0.265 0.035 -3.274 1.00 0.00 C ATOM 0 HA PRO A 3 0.381 -1.115 -6.124 1.00 0.00 H new ATOM 0 HB2 PRO A 3 0.011 1.826 -5.468 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -1.116 0.728 -6.239 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -1.473 1.307 -3.625 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -1.697 -0.351 -4.149 1.00 0.00 H new ATOM 0 HD2 PRO A 3 0.722 0.891 -2.777 1.00 0.00 H new ATOM 0 HD3 PRO A 3 0.002 -0.682 -2.496 1.00 0.00 H new ATOM 50 N GLU A 4 2.646 1.262 -5.973 1.00 0.00 N ATOM 51 CA GLU A 4 3.777 1.839 -6.681 1.00 0.00 C ATOM 52 C GLU A 4 4.852 0.781 -6.937 1.00 0.00 C ATOM 53 O GLU A 4 5.355 0.658 -8.052 1.00 0.00 O ATOM 54 CB GLU A 4 4.360 3.030 -5.904 1.00 0.00 C ATOM 55 CG GLU A 4 3.309 4.073 -5.492 1.00 0.00 C ATOM 56 CD GLU A 4 2.812 3.867 -4.061 1.00 0.00 C ATOM 57 OE1 GLU A 4 2.012 2.928 -3.859 1.00 0.00 O ATOM 58 OE2 GLU A 4 3.258 4.639 -3.186 1.00 0.00 O ATOM 0 H GLU A 4 2.479 1.680 -5.058 1.00 0.00 H new ATOM 0 HA GLU A 4 3.422 2.205 -7.644 1.00 0.00 H new ATOM 0 HB2 GLU A 4 4.861 2.659 -5.010 1.00 0.00 H new ATOM 0 HB3 GLU A 4 5.120 3.515 -6.517 1.00 0.00 H new ATOM 0 HG2 GLU A 4 3.736 5.071 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 4 2.463 4.023 -6.178 1.00 0.00 H new ATOM 65 N GLU A 5 5.205 0.020 -5.899 1.00 0.00 N ATOM 66 CA GLU A 5 6.200 -1.038 -6.000 1.00 0.00 C ATOM 67 C GLU A 5 5.797 -2.028 -7.097 1.00 0.00 C ATOM 68 O GLU A 5 6.592 -2.354 -7.979 1.00 0.00 O ATOM 69 CB GLU A 5 6.340 -1.719 -4.632 1.00 0.00 C ATOM 70 CG GLU A 5 7.481 -2.740 -4.597 1.00 0.00 C ATOM 71 CD GLU A 5 7.563 -3.403 -3.226 1.00 0.00 C ATOM 72 OE1 GLU A 5 6.777 -4.351 -3.011 1.00 0.00 O ATOM 73 OE2 GLU A 5 8.389 -2.931 -2.415 1.00 0.00 O ATOM 0 H GLU A 5 4.806 0.124 -4.966 1.00 0.00 H new ATOM 0 HA GLU A 5 7.170 -0.626 -6.277 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.513 -0.960 -3.869 1.00 0.00 H new ATOM 0 HB3 GLU A 5 5.404 -2.217 -4.381 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.323 -3.497 -5.365 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.426 -2.247 -4.826 1.00 0.00 H new ATOM 80 N LEU A 6 4.548 -2.492 -7.043 1.00 0.00 N ATOM 81 CA LEU A 6 3.997 -3.459 -7.977 1.00 0.00 C ATOM 82 C LEU A 6 3.971 -2.859 -9.378 1.00 0.00 C ATOM 83 O LEU A 6 4.252 -3.566 -10.339 1.00 0.00 O ATOM 84 CB LEU A 6 2.598 -3.917 -7.549 1.00 0.00 C ATOM 85 CG LEU A 6 2.584 -4.597 -6.168 1.00 0.00 C ATOM 86 CD1 LEU A 6 1.193 -4.457 -5.542 1.00 0.00 C ATOM 87 CD2 LEU A 6 2.950 -6.078 -6.287 1.00 0.00 C ATOM 0 H LEU A 6 3.881 -2.196 -6.331 1.00 0.00 H new ATOM 0 HA LEU A 6 4.636 -4.342 -7.980 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.930 -3.056 -7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.205 -4.610 -8.293 1.00 0.00 H new ATOM 0 HG LEU A 6 3.324 -4.110 -5.533 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.184 -4.939 -4.564 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.950 -3.401 -5.428 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.454 -4.932 -6.187 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.934 -6.537 -5.299 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.229 -6.580 -6.933 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.948 -6.173 -6.715 1.00 0.00 H new ATOM 99 N LYS A 7 3.649 -1.569 -9.508 1.00 0.00 N ATOM 100 CA LYS A 7 3.723 -0.876 -10.786 1.00 0.00 C ATOM 101 C LYS A 7 5.147 -0.917 -11.331 1.00 0.00 C ATOM 102 O LYS A 7 5.350 -1.332 -12.468 1.00 0.00 O ATOM 103 CB LYS A 7 3.191 0.557 -10.664 1.00 0.00 C ATOM 104 CG LYS A 7 2.883 1.128 -12.053 1.00 0.00 C ATOM 105 CD LYS A 7 2.237 2.513 -11.935 1.00 0.00 C ATOM 106 CE LYS A 7 1.948 3.113 -13.317 1.00 0.00 C ATOM 107 NZ LYS A 7 0.990 2.296 -14.084 1.00 0.00 N ATOM 0 H LYS A 7 3.333 -0.984 -8.734 1.00 0.00 H new ATOM 0 HA LYS A 7 3.083 -1.391 -11.503 1.00 0.00 H new ATOM 0 HB2 LYS A 7 2.290 0.567 -10.051 1.00 0.00 H new ATOM 0 HB3 LYS A 7 3.927 1.184 -10.160 1.00 0.00 H new ATOM 0 HG2 LYS A 7 3.802 1.198 -12.636 1.00 0.00 H new ATOM 0 HG3 LYS A 7 2.215 0.454 -12.590 1.00 0.00 H new ATOM 0 HD2 LYS A 7 1.309 2.437 -11.368 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.897 3.178 -11.378 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.551 4.121 -13.199 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.879 3.200 -13.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 0.300 2.918 -14.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 1.501 1.744 -14.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 0.492 1.649 -13.440 1.00 0.00 H new ATOM 121 N GLY A 8 6.130 -0.508 -10.530 1.00 0.00 N ATOM 122 CA GLY A 8 7.525 -0.523 -10.943 1.00 0.00 C ATOM 123 C GLY A 8 7.941 -1.920 -11.396 1.00 0.00 C ATOM 124 O GLY A 8 8.418 -2.090 -12.515 1.00 0.00 O ATOM 0 H GLY A 8 5.979 -0.160 -9.583 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.676 0.188 -11.755 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.157 -0.201 -10.116 1.00 0.00 H new ATOM 128 N ILE A 9 7.726 -2.918 -10.533 1.00 0.00 N ATOM 129 CA ILE A 9 7.917 -4.334 -10.839 1.00 0.00 C ATOM 130 C ILE A 9 7.302 -4.649 -12.205 1.00 0.00 C ATOM 131 O ILE A 9 8.005 -5.006 -13.148 1.00 0.00 O ATOM 132 CB ILE A 9 7.302 -5.165 -9.684 1.00 0.00 C ATOM 133 CG1 ILE A 9 8.273 -5.231 -8.496 1.00 0.00 C ATOM 134 CG2 ILE A 9 6.822 -6.572 -10.065 1.00 0.00 C ATOM 135 CD1 ILE A 9 7.649 -5.922 -7.277 1.00 0.00 C ATOM 0 H ILE A 9 7.406 -2.756 -9.578 1.00 0.00 H new ATOM 0 HA ILE A 9 8.974 -4.592 -10.910 1.00 0.00 H new ATOM 0 HB ILE A 9 6.395 -4.628 -9.406 1.00 0.00 H new ATOM 0 HG12 ILE A 9 9.174 -5.767 -8.794 1.00 0.00 H new ATOM 0 HG13 ILE A 9 8.579 -4.221 -8.222 1.00 0.00 H new ATOM 0 HG21 ILE A 9 6.410 -7.066 -9.185 1.00 0.00 H new ATOM 0 HG22 ILE A 9 6.053 -6.498 -10.834 1.00 0.00 H new ATOM 0 HG23 ILE A 9 7.662 -7.152 -10.447 1.00 0.00 H new ATOM 0 HD11 ILE A 9 8.372 -5.945 -6.462 1.00 0.00 H new ATOM 0 HD12 ILE A 9 6.763 -5.371 -6.960 1.00 0.00 H new ATOM 0 HD13 ILE A 9 7.367 -6.941 -7.541 1.00 0.00 H new ATOM 147 N PHE A 10 5.984 -4.504 -12.299 1.00 0.00 N ATOM 148 CA PHE A 10 5.185 -4.811 -13.470 1.00 0.00 C ATOM 149 C PHE A 10 5.814 -4.196 -14.727 1.00 0.00 C ATOM 150 O PHE A 10 6.135 -4.910 -15.678 1.00 0.00 O ATOM 151 CB PHE A 10 3.754 -4.328 -13.192 1.00 0.00 C ATOM 152 CG PHE A 10 2.842 -4.301 -14.389 1.00 0.00 C ATOM 153 CD1 PHE A 10 2.833 -3.165 -15.213 1.00 0.00 C ATOM 154 CD2 PHE A 10 1.987 -5.379 -14.673 1.00 0.00 C ATOM 155 CE1 PHE A 10 2.082 -3.163 -16.391 1.00 0.00 C ATOM 156 CE2 PHE A 10 1.248 -5.383 -15.864 1.00 0.00 C ATOM 157 CZ PHE A 10 1.348 -4.303 -16.750 1.00 0.00 C ATOM 0 H PHE A 10 5.423 -4.153 -11.523 1.00 0.00 H new ATOM 0 HA PHE A 10 5.151 -5.883 -13.665 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.311 -4.973 -12.433 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.802 -3.324 -12.769 1.00 0.00 H new ATOM 0 HD1 PHE A 10 3.406 -2.293 -14.937 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.900 -6.200 -13.977 1.00 0.00 H new ATOM 0 HE1 PHE A 10 2.067 -2.287 -17.023 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.603 -6.217 -16.098 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.859 -4.348 -17.712 1.00 0.00 H new ATOM 167 N GLU A 11 6.032 -2.879 -14.719 1.00 0.00 N ATOM 168 CA GLU A 11 6.630 -2.179 -15.842 1.00 0.00 C ATOM 169 C GLU A 11 8.003 -2.775 -16.191 1.00 0.00 C ATOM 170 O GLU A 11 8.288 -3.032 -17.360 1.00 0.00 O ATOM 171 CB GLU A 11 6.743 -0.681 -15.531 1.00 0.00 C ATOM 172 CG GLU A 11 5.362 -0.010 -15.466 1.00 0.00 C ATOM 173 CD GLU A 11 5.447 1.467 -15.097 1.00 0.00 C ATOM 174 OE1 GLU A 11 6.189 1.777 -14.140 1.00 0.00 O ATOM 175 OE2 GLU A 11 4.743 2.259 -15.761 1.00 0.00 O ATOM 0 H GLU A 11 5.797 -2.275 -13.932 1.00 0.00 H new ATOM 0 HA GLU A 11 5.985 -2.303 -16.712 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.259 -0.544 -14.581 1.00 0.00 H new ATOM 0 HB3 GLU A 11 7.349 -0.195 -16.296 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.866 -0.112 -16.431 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.744 -0.529 -14.734 1.00 0.00 H new ATOM 182 N LYS A 12 8.859 -2.999 -15.187 1.00 0.00 N ATOM 183 CA LYS A 12 10.194 -3.544 -15.415 1.00 0.00 C ATOM 184 C LYS A 12 10.121 -4.927 -16.066 1.00 0.00 C ATOM 185 O LYS A 12 10.870 -5.201 -17.000 1.00 0.00 O ATOM 186 CB LYS A 12 10.991 -3.579 -14.106 1.00 0.00 C ATOM 187 CG LYS A 12 11.379 -2.162 -13.664 1.00 0.00 C ATOM 188 CD LYS A 12 11.948 -2.193 -12.240 1.00 0.00 C ATOM 189 CE LYS A 12 12.354 -0.795 -11.760 1.00 0.00 C ATOM 190 NZ LYS A 12 11.193 0.108 -11.653 1.00 0.00 N ATOM 0 H LYS A 12 8.646 -2.809 -14.208 1.00 0.00 H new ATOM 0 HA LYS A 12 10.719 -2.887 -16.109 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.398 -4.058 -13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 12 11.889 -4.182 -14.238 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.117 -1.748 -14.350 1.00 0.00 H new ATOM 0 HG3 LYS A 12 10.507 -1.509 -13.702 1.00 0.00 H new ATOM 0 HD2 LYS A 12 11.205 -2.609 -11.560 1.00 0.00 H new ATOM 0 HD3 LYS A 12 12.814 -2.854 -12.209 1.00 0.00 H new ATOM 0 HE2 LYS A 12 12.844 -0.872 -10.790 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.082 -0.371 -12.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.477 0.983 -11.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 10.843 0.337 -12.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.439 -0.359 -11.110 1.00 0.00 H new ATOM 204 N TYR A 13 9.232 -5.802 -15.589 1.00 0.00 N ATOM 205 CA TYR A 13 9.012 -7.094 -16.223 1.00 0.00 C ATOM 206 C TYR A 13 8.556 -6.927 -17.664 1.00 0.00 C ATOM 207 O TYR A 13 9.196 -7.440 -18.577 1.00 0.00 O ATOM 208 CB TYR A 13 8.048 -7.945 -15.402 1.00 0.00 C ATOM 209 CG TYR A 13 8.762 -8.654 -14.276 1.00 0.00 C ATOM 210 CD1 TYR A 13 9.519 -9.804 -14.553 1.00 0.00 C ATOM 211 CD2 TYR A 13 8.719 -8.148 -12.968 1.00 0.00 C ATOM 212 CE1 TYR A 13 10.211 -10.450 -13.518 1.00 0.00 C ATOM 213 CE2 TYR A 13 9.459 -8.761 -11.946 1.00 0.00 C ATOM 214 CZ TYR A 13 10.197 -9.923 -12.217 1.00 0.00 C ATOM 215 OH TYR A 13 10.831 -10.590 -11.213 1.00 0.00 O ATOM 0 H TYR A 13 8.655 -5.634 -14.765 1.00 0.00 H new ATOM 0 HA TYR A 13 9.961 -7.628 -16.255 1.00 0.00 H new ATOM 0 HB2 TYR A 13 7.259 -7.313 -14.994 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.566 -8.678 -16.049 1.00 0.00 H new ATOM 0 HD1 TYR A 13 9.568 -10.190 -15.560 1.00 0.00 H new ATOM 0 HD2 TYR A 13 8.113 -7.282 -12.747 1.00 0.00 H new ATOM 0 HE1 TYR A 13 10.758 -11.358 -13.723 1.00 0.00 H new ATOM 0 HE2 TYR A 13 9.461 -8.339 -10.952 1.00 0.00 H new ATOM 0 HH TYR A 13 10.603 -10.180 -10.353 1.00 0.00 H new ATOM 225 N ALA A 14 7.455 -6.211 -17.870 1.00 0.00 N ATOM 226 CA ALA A 14 6.910 -5.928 -19.187 1.00 0.00 C ATOM 227 C ALA A 14 8.006 -5.485 -20.171 1.00 0.00 C ATOM 228 O ALA A 14 8.165 -6.046 -21.259 1.00 0.00 O ATOM 229 CB ALA A 14 5.836 -4.856 -19.032 1.00 0.00 C ATOM 0 H ALA A 14 6.909 -5.805 -17.110 1.00 0.00 H new ATOM 0 HA ALA A 14 6.473 -6.834 -19.606 1.00 0.00 H new ATOM 0 HB1 ALA A 14 5.410 -4.624 -20.008 1.00 0.00 H new ATOM 0 HB2 ALA A 14 5.051 -5.221 -18.370 1.00 0.00 H new ATOM 0 HB3 ALA A 14 6.279 -3.956 -18.607 1.00 0.00 H new ATOM 235 N ALA A 15 8.809 -4.506 -19.746 1.00 0.00 N ATOM 236 CA ALA A 15 9.920 -3.970 -20.521 1.00 0.00 C ATOM 237 C ALA A 15 10.906 -5.043 -21.004 1.00 0.00 C ATOM 238 O ALA A 15 11.565 -4.831 -22.018 1.00 0.00 O ATOM 239 CB ALA A 15 10.641 -2.893 -19.706 1.00 0.00 C ATOM 0 H ALA A 15 8.699 -4.059 -18.836 1.00 0.00 H new ATOM 0 HA ALA A 15 9.497 -3.532 -21.425 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.472 -2.493 -20.287 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.944 -2.089 -19.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 11.021 -3.329 -18.782 1.00 0.00 H new ATOM 329 N GLN A 22 2.860 -3.808 -20.250 1.00 0.00 N ATOM 330 CA GLN A 22 2.023 -4.970 -20.514 1.00 0.00 C ATOM 331 C GLN A 22 2.827 -6.270 -20.434 1.00 0.00 C ATOM 332 O GLN A 22 3.899 -6.360 -21.026 1.00 0.00 O ATOM 333 CB GLN A 22 1.336 -4.798 -21.870 1.00 0.00 C ATOM 334 CG GLN A 22 -0.103 -5.291 -21.783 1.00 0.00 C ATOM 335 CD GLN A 22 -0.922 -5.029 -23.044 1.00 0.00 C ATOM 336 OE1 GLN A 22 -2.122 -5.273 -23.056 1.00 0.00 O ATOM 337 NE2 GLN A 22 -0.318 -4.501 -24.106 1.00 0.00 N ATOM 0 HA GLN A 22 1.255 -5.042 -19.744 1.00 0.00 H new ATOM 0 HB2 GLN A 22 1.354 -3.749 -22.167 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.876 -5.356 -22.635 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -0.099 -6.362 -21.580 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.592 -4.808 -20.937 1.00 0.00 H new ATOM 0 HE21 GLN A 22 0.682 -4.304 -24.078 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.856 -4.293 -24.948 1.00 0.00 H new ATOM 346 N LEU A 23 2.320 -7.262 -19.694 1.00 0.00 N ATOM 347 CA LEU A 23 3.013 -8.514 -19.425 1.00 0.00 C ATOM 348 C LEU A 23 2.487 -9.620 -20.333 1.00 0.00 C ATOM 349 O LEU A 23 1.312 -9.983 -20.249 1.00 0.00 O ATOM 350 CB LEU A 23 2.773 -8.957 -17.973 1.00 0.00 C ATOM 351 CG LEU A 23 3.215 -7.965 -16.895 1.00 0.00 C ATOM 352 CD1 LEU A 23 2.750 -8.487 -15.539 1.00 0.00 C ATOM 353 CD2 LEU A 23 4.719 -7.791 -16.778 1.00 0.00 C ATOM 0 H LEU A 23 1.399 -7.210 -19.260 1.00 0.00 H new ATOM 0 HA LEU A 23 4.075 -8.347 -19.604 1.00 0.00 H new ATOM 0 HB2 LEU A 23 1.709 -9.155 -17.844 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.295 -9.900 -17.809 1.00 0.00 H new ATOM 0 HG LEU A 23 2.781 -7.007 -17.181 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.056 -7.792 -14.757 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.664 -8.579 -15.538 1.00 0.00 H new ATOM 0 HD13 LEU A 23 3.197 -9.463 -15.352 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.942 -7.071 -15.991 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.178 -8.749 -16.534 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.118 -7.428 -17.725 1.00 0.00 H new ATOM 365 N SER A 24 3.352 -10.195 -21.168 1.00 0.00 N ATOM 366 CA SER A 24 3.029 -11.429 -21.860 1.00 0.00 C ATOM 367 C SER A 24 2.969 -12.551 -20.823 1.00 0.00 C ATOM 368 O SER A 24 3.595 -12.444 -19.770 1.00 0.00 O ATOM 369 CB SER A 24 4.096 -11.714 -22.922 1.00 0.00 C ATOM 370 OG SER A 24 4.451 -10.524 -23.592 1.00 0.00 O ATOM 0 H SER A 24 4.278 -9.822 -21.377 1.00 0.00 H new ATOM 0 HA SER A 24 2.066 -11.353 -22.366 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.977 -12.152 -22.453 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.720 -12.444 -23.638 1.00 0.00 H new ATOM 0 HG SER A 24 3.680 -9.920 -23.617 1.00 0.00 H new ATOM 376 N LYS A 25 2.260 -13.641 -21.125 1.00 0.00 N ATOM 377 CA LYS A 25 2.223 -14.843 -20.295 1.00 0.00 C ATOM 378 C LYS A 25 3.595 -15.241 -19.741 1.00 0.00 C ATOM 379 O LYS A 25 3.706 -15.591 -18.567 1.00 0.00 O ATOM 380 CB LYS A 25 1.489 -15.989 -21.013 1.00 0.00 C ATOM 381 CG LYS A 25 2.116 -16.527 -22.313 1.00 0.00 C ATOM 382 CD LYS A 25 2.149 -15.570 -23.518 1.00 0.00 C ATOM 383 CE LYS A 25 0.756 -15.054 -23.915 1.00 0.00 C ATOM 384 NZ LYS A 25 0.833 -14.124 -25.056 1.00 0.00 N ATOM 0 H LYS A 25 1.687 -13.712 -21.966 1.00 0.00 H new ATOM 0 HA LYS A 25 1.638 -14.603 -19.407 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.397 -16.820 -20.314 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.478 -15.651 -21.241 1.00 0.00 H new ATOM 0 HG2 LYS A 25 3.139 -16.833 -22.095 1.00 0.00 H new ATOM 0 HG3 LYS A 25 1.571 -17.424 -22.607 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.791 -14.721 -23.283 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.597 -16.082 -24.370 1.00 0.00 H new ATOM 0 HE2 LYS A 25 0.114 -15.896 -24.173 1.00 0.00 H new ATOM 0 HE3 LYS A 25 0.296 -14.551 -23.064 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 0.332 -13.243 -24.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 1.830 -13.911 -25.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 0.392 -14.561 -25.890 1.00 0.00 H new ATOM 398 N GLU A 26 4.643 -15.132 -20.561 1.00 0.00 N ATOM 399 CA GLU A 26 6.012 -15.343 -20.117 1.00 0.00 C ATOM 400 C GLU A 26 6.352 -14.451 -18.919 1.00 0.00 C ATOM 401 O GLU A 26 6.795 -14.949 -17.881 1.00 0.00 O ATOM 402 CB GLU A 26 6.971 -15.114 -21.295 1.00 0.00 C ATOM 403 CG GLU A 26 8.420 -15.465 -20.934 1.00 0.00 C ATOM 404 CD GLU A 26 9.362 -15.227 -22.112 1.00 0.00 C ATOM 405 OE1 GLU A 26 9.121 -15.856 -23.165 1.00 0.00 O ATOM 406 OE2 GLU A 26 10.302 -14.423 -21.937 1.00 0.00 O ATOM 0 H GLU A 26 4.561 -14.895 -21.550 1.00 0.00 H new ATOM 0 HA GLU A 26 6.123 -16.372 -19.776 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.653 -15.718 -22.144 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.918 -14.071 -21.608 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.740 -14.864 -20.083 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.477 -16.509 -20.626 1.00 0.00 H new ATOM 413 N GLU A 27 6.134 -13.136 -19.048 1.00 0.00 N ATOM 414 CA GLU A 27 6.407 -12.238 -17.940 1.00 0.00 C ATOM 415 C GLU A 27 5.499 -12.600 -16.775 1.00 0.00 C ATOM 416 O GLU A 27 5.970 -12.638 -15.644 1.00 0.00 O ATOM 417 CB GLU A 27 6.201 -10.759 -18.283 1.00 0.00 C ATOM 418 CG GLU A 27 7.243 -10.148 -19.220 1.00 0.00 C ATOM 419 CD GLU A 27 6.893 -10.432 -20.671 1.00 0.00 C ATOM 420 OE1 GLU A 27 6.078 -9.651 -21.204 1.00 0.00 O ATOM 421 OE2 GLU A 27 7.403 -11.442 -21.204 1.00 0.00 O ATOM 0 H GLU A 27 5.778 -12.687 -19.891 1.00 0.00 H new ATOM 0 HA GLU A 27 7.460 -12.363 -17.687 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.217 -10.643 -18.738 1.00 0.00 H new ATOM 0 HB3 GLU A 27 6.193 -10.187 -17.355 1.00 0.00 H new ATOM 0 HG2 GLU A 27 7.298 -9.072 -19.058 1.00 0.00 H new ATOM 0 HG3 GLU A 27 8.228 -10.556 -18.992 1.00 0.00 H new ATOM 428 N LEU A 28 4.206 -12.837 -17.034 1.00 0.00 N ATOM 429 CA LEU A 28 3.272 -13.084 -15.945 1.00 0.00 C ATOM 430 C LEU A 28 3.731 -14.279 -15.115 1.00 0.00 C ATOM 431 O LEU A 28 3.793 -14.196 -13.890 1.00 0.00 O ATOM 432 CB LEU A 28 1.823 -13.241 -16.418 1.00 0.00 C ATOM 433 CG LEU A 28 0.881 -13.107 -15.204 1.00 0.00 C ATOM 434 CD1 LEU A 28 0.514 -11.642 -14.939 1.00 0.00 C ATOM 435 CD2 LEU A 28 -0.393 -13.941 -15.350 1.00 0.00 C ATOM 0 H LEU A 28 3.797 -12.861 -17.968 1.00 0.00 H new ATOM 0 HA LEU A 28 3.276 -12.198 -15.310 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.586 -12.482 -17.164 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.686 -14.211 -16.896 1.00 0.00 H new ATOM 0 HG LEU A 28 1.436 -13.496 -14.350 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.151 -11.584 -14.077 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.420 -11.071 -14.738 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.011 -11.229 -15.813 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.018 -13.808 -14.467 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.941 -13.616 -16.235 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.129 -14.994 -15.453 1.00 0.00 H new ATOM 447 N LYS A 29 4.090 -15.387 -15.764 1.00 0.00 N ATOM 448 CA LYS A 29 4.660 -16.497 -15.031 1.00 0.00 C ATOM 449 C LYS A 29 5.882 -16.011 -14.263 1.00 0.00 C ATOM 450 O LYS A 29 5.911 -16.133 -13.038 1.00 0.00 O ATOM 451 CB LYS A 29 5.004 -17.652 -15.982 1.00 0.00 C ATOM 452 CG LYS A 29 5.540 -18.869 -15.214 1.00 0.00 C ATOM 453 CD LYS A 29 5.683 -20.081 -16.139 1.00 0.00 C ATOM 454 CE LYS A 29 6.374 -21.238 -15.408 1.00 0.00 C ATOM 455 NZ LYS A 29 6.461 -22.438 -16.259 1.00 0.00 N ATOM 0 H LYS A 29 3.996 -15.531 -16.769 1.00 0.00 H new ATOM 0 HA LYS A 29 3.932 -16.881 -14.316 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.116 -17.938 -16.546 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.748 -17.320 -16.706 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.507 -18.628 -14.772 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.866 -19.111 -14.393 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.700 -20.398 -16.486 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.259 -19.805 -17.022 1.00 0.00 H new ATOM 0 HE2 LYS A 29 7.375 -20.932 -15.105 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.824 -21.475 -14.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.934 -23.202 -15.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.504 -22.743 -16.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.007 -22.217 -17.116 1.00 0.00 H new ATOM 469 N LEU A 30 6.875 -15.465 -14.970 1.00 0.00 N ATOM 470 CA LEU A 30 8.147 -15.092 -14.375 1.00 0.00 C ATOM 471 C LEU A 30 7.954 -14.256 -13.105 1.00 0.00 C ATOM 472 O LEU A 30 8.458 -14.626 -12.043 1.00 0.00 O ATOM 473 CB LEU A 30 9.015 -14.374 -15.419 1.00 0.00 C ATOM 474 CG LEU A 30 10.440 -14.072 -14.930 1.00 0.00 C ATOM 475 CD1 LEU A 30 11.249 -15.350 -14.671 1.00 0.00 C ATOM 476 CD2 LEU A 30 11.165 -13.229 -15.986 1.00 0.00 C ATOM 0 H LEU A 30 6.813 -15.272 -15.970 1.00 0.00 H new ATOM 0 HA LEU A 30 8.669 -15.997 -14.063 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.071 -14.988 -16.318 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.531 -13.439 -15.701 1.00 0.00 H new ATOM 0 HG LEU A 30 10.358 -13.532 -13.987 1.00 0.00 H new ATOM 0 HD11 LEU A 30 12.249 -15.084 -14.327 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.750 -15.948 -13.909 1.00 0.00 H new ATOM 0 HD13 LEU A 30 11.324 -15.927 -15.593 1.00 0.00 H new ATOM 0 HD21 LEU A 30 12.177 -13.011 -15.645 1.00 0.00 H new ATOM 0 HD22 LEU A 30 11.209 -13.781 -16.925 1.00 0.00 H new ATOM 0 HD23 LEU A 30 10.625 -12.295 -16.140 1.00 0.00 H new ATOM 488 N LEU A 31 7.221 -13.140 -13.190 1.00 0.00 N ATOM 489 CA LEU A 31 7.095 -12.250 -12.048 1.00 0.00 C ATOM 490 C LEU A 31 6.212 -12.850 -10.960 1.00 0.00 C ATOM 491 O LEU A 31 6.494 -12.631 -9.789 1.00 0.00 O ATOM 492 CB LEU A 31 6.779 -10.794 -12.429 1.00 0.00 C ATOM 493 CG LEU A 31 5.329 -10.298 -12.428 1.00 0.00 C ATOM 494 CD1 LEU A 31 5.296 -8.802 -12.749 1.00 0.00 C ATOM 495 CD2 LEU A 31 4.526 -10.991 -13.507 1.00 0.00 C ATOM 0 H LEU A 31 6.717 -12.842 -14.025 1.00 0.00 H new ATOM 0 HA LEU A 31 8.083 -12.166 -11.595 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.341 -10.152 -11.751 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.178 -10.627 -13.430 1.00 0.00 H new ATOM 0 HG LEU A 31 4.909 -10.507 -11.444 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.264 -8.452 -12.748 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.865 -8.256 -11.997 1.00 0.00 H new ATOM 0 HD13 LEU A 31 5.736 -8.631 -13.732 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.500 -10.624 -13.489 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.969 -10.782 -14.481 1.00 0.00 H new ATOM 0 HD23 LEU A 31 4.530 -12.066 -13.330 1.00 0.00 H new ATOM 507 N LEU A 32 5.192 -13.649 -11.290 1.00 0.00 N ATOM 508 CA LEU A 32 4.449 -14.312 -10.225 1.00 0.00 C ATOM 509 C LEU A 32 5.353 -15.298 -9.497 1.00 0.00 C ATOM 510 O LEU A 32 5.350 -15.312 -8.267 1.00 0.00 O ATOM 511 CB LEU A 32 3.144 -14.936 -10.737 1.00 0.00 C ATOM 512 CG LEU A 32 1.996 -13.917 -10.668 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.362 -12.540 -11.227 1.00 0.00 C ATOM 514 CD2 LEU A 32 0.783 -14.432 -11.429 1.00 0.00 C ATOM 0 H LEU A 32 4.876 -13.844 -12.240 1.00 0.00 H new ATOM 0 HA LEU A 32 4.134 -13.566 -9.495 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.275 -15.276 -11.764 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.895 -15.814 -10.140 1.00 0.00 H new ATOM 0 HG LEU A 32 1.776 -13.798 -9.607 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.503 -11.874 -11.145 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.197 -12.127 -10.660 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.647 -12.637 -12.275 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.021 -13.699 -11.371 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.051 -14.595 -12.473 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.450 -15.372 -10.989 1.00 0.00 H new ATOM 526 N GLN A 33 6.166 -16.071 -10.227 1.00 0.00 N ATOM 527 CA GLN A 33 7.049 -17.018 -9.570 1.00 0.00 C ATOM 528 C GLN A 33 8.054 -16.271 -8.692 1.00 0.00 C ATOM 529 O GLN A 33 8.278 -16.643 -7.543 1.00 0.00 O ATOM 530 CB GLN A 33 7.802 -17.947 -10.540 1.00 0.00 C ATOM 531 CG GLN A 33 7.024 -18.725 -11.617 1.00 0.00 C ATOM 532 CD GLN A 33 5.575 -19.068 -11.282 1.00 0.00 C ATOM 533 OE1 GLN A 33 5.292 -20.119 -10.716 1.00 0.00 O ATOM 534 NE2 GLN A 33 4.635 -18.218 -11.682 1.00 0.00 N ATOM 0 H GLN A 33 6.225 -16.056 -11.245 1.00 0.00 H new ATOM 0 HA GLN A 33 6.408 -17.658 -8.964 1.00 0.00 H new ATOM 0 HB2 GLN A 33 8.550 -17.343 -11.053 1.00 0.00 H new ATOM 0 HB3 GLN A 33 8.341 -18.678 -9.937 1.00 0.00 H new ATOM 0 HG2 GLN A 33 7.034 -18.141 -12.537 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.558 -19.653 -11.823 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.898 -17.351 -12.150 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.651 -18.433 -11.521 1.00 0.00 H new ATOM 543 N THR A 34 8.673 -15.231 -9.252 1.00 0.00 N ATOM 544 CA THR A 34 9.748 -14.518 -8.581 1.00 0.00 C ATOM 545 C THR A 34 9.209 -13.737 -7.380 1.00 0.00 C ATOM 546 O THR A 34 9.762 -13.814 -6.286 1.00 0.00 O ATOM 547 CB THR A 34 10.480 -13.609 -9.583 1.00 0.00 C ATOM 548 OG1 THR A 34 10.864 -14.363 -10.717 1.00 0.00 O ATOM 549 CG2 THR A 34 11.745 -13.003 -8.970 1.00 0.00 C ATOM 0 H THR A 34 8.442 -14.865 -10.176 1.00 0.00 H new ATOM 0 HA THR A 34 10.472 -15.236 -8.195 1.00 0.00 H new ATOM 0 HB THR A 34 9.795 -12.807 -9.859 1.00 0.00 H new ATOM 0 HG1 THR A 34 10.080 -14.529 -11.281 1.00 0.00 H new ATOM 0 HG21 THR A 34 12.237 -12.367 -9.706 1.00 0.00 H new ATOM 0 HG22 THR A 34 11.477 -12.408 -8.097 1.00 0.00 H new ATOM 0 HG23 THR A 34 12.423 -13.802 -8.671 1.00 0.00 H new ATOM 557 N GLU A 35 8.151 -12.951 -7.595 1.00 0.00 N ATOM 558 CA GLU A 35 7.660 -11.996 -6.620 1.00 0.00 C ATOM 559 C GLU A 35 6.658 -12.616 -5.644 1.00 0.00 C ATOM 560 O GLU A 35 6.666 -12.231 -4.476 1.00 0.00 O ATOM 561 CB GLU A 35 7.032 -10.785 -7.330 1.00 0.00 C ATOM 562 CG GLU A 35 7.919 -10.149 -8.417 1.00 0.00 C ATOM 563 CD GLU A 35 9.269 -9.658 -7.907 1.00 0.00 C ATOM 564 OE1 GLU A 35 9.301 -9.115 -6.782 1.00 0.00 O ATOM 565 OE2 GLU A 35 10.246 -9.815 -8.674 1.00 0.00 O ATOM 0 H GLU A 35 7.612 -12.966 -8.461 1.00 0.00 H new ATOM 0 HA GLU A 35 8.518 -11.669 -6.033 1.00 0.00 H new ATOM 0 HB2 GLU A 35 6.090 -11.094 -7.783 1.00 0.00 H new ATOM 0 HB3 GLU A 35 6.793 -10.027 -6.584 1.00 0.00 H new ATOM 0 HG2 GLU A 35 8.085 -10.879 -9.209 1.00 0.00 H new ATOM 0 HG3 GLU A 35 7.384 -9.311 -8.863 1.00 0.00 H new ATOM 572 N PHE A 36 5.768 -13.519 -6.090 1.00 0.00 N ATOM 573 CA PHE A 36 4.624 -13.938 -5.272 1.00 0.00 C ATOM 574 C PHE A 36 4.605 -15.434 -4.901 1.00 0.00 C ATOM 575 O PHE A 36 3.857 -16.199 -5.516 1.00 0.00 O ATOM 576 CB PHE A 36 3.331 -13.550 -6.003 1.00 0.00 C ATOM 577 CG PHE A 36 3.164 -12.097 -6.431 1.00 0.00 C ATOM 578 CD1 PHE A 36 3.809 -11.038 -5.761 1.00 0.00 C ATOM 579 CD2 PHE A 36 2.297 -11.799 -7.497 1.00 0.00 C ATOM 580 CE1 PHE A 36 3.759 -9.737 -6.290 1.00 0.00 C ATOM 581 CE2 PHE A 36 2.242 -10.501 -8.029 1.00 0.00 C ATOM 582 CZ PHE A 36 3.011 -9.478 -7.451 1.00 0.00 C ATOM 0 H PHE A 36 5.820 -13.968 -7.005 1.00 0.00 H new ATOM 0 HA PHE A 36 4.714 -13.418 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 36 3.251 -14.173 -6.894 1.00 0.00 H new ATOM 0 HB3 PHE A 36 2.491 -13.807 -5.357 1.00 0.00 H new ATOM 0 HD1 PHE A 36 4.342 -11.226 -4.841 1.00 0.00 H new ATOM 0 HD2 PHE A 36 1.669 -12.574 -7.910 1.00 0.00 H new ATOM 0 HE1 PHE A 36 4.296 -8.936 -5.804 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.611 -10.290 -8.880 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.027 -8.495 -7.898 1.00 0.00 H new ATOM 726 N LEU A 46 -0.884 -21.845 -15.587 1.00 0.00 N ATOM 727 CA LEU A 46 -0.659 -20.518 -16.139 1.00 0.00 C ATOM 728 C LEU A 46 -1.724 -20.212 -17.184 1.00 0.00 C ATOM 729 O LEU A 46 -2.216 -19.092 -17.230 1.00 0.00 O ATOM 730 CB LEU A 46 0.728 -20.397 -16.782 1.00 0.00 C ATOM 731 CG LEU A 46 1.042 -18.957 -17.229 1.00 0.00 C ATOM 732 CD1 LEU A 46 1.363 -18.059 -16.027 1.00 0.00 C ATOM 733 CD2 LEU A 46 2.209 -18.993 -18.220 1.00 0.00 C ATOM 0 HA LEU A 46 -0.716 -19.803 -15.318 1.00 0.00 H new ATOM 0 HB2 LEU A 46 1.485 -20.728 -16.071 1.00 0.00 H new ATOM 0 HB3 LEU A 46 0.786 -21.063 -17.643 1.00 0.00 H new ATOM 0 HG LEU A 46 0.165 -18.531 -17.716 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.580 -17.049 -16.375 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.507 -18.034 -15.353 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.230 -18.455 -15.498 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.442 -17.979 -18.545 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.083 -19.429 -17.737 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.934 -19.597 -19.085 1.00 0.00 H new ATOM 745 N ASP A 47 -2.081 -21.187 -18.025 1.00 0.00 N ATOM 746 CA ASP A 47 -3.083 -20.968 -19.058 1.00 0.00 C ATOM 747 C ASP A 47 -4.377 -20.465 -18.424 1.00 0.00 C ATOM 748 O ASP A 47 -4.910 -19.427 -18.813 1.00 0.00 O ATOM 749 CB ASP A 47 -3.316 -22.267 -19.836 1.00 0.00 C ATOM 750 CG ASP A 47 -4.402 -22.082 -20.889 1.00 0.00 C ATOM 751 OD1 ASP A 47 -4.054 -21.583 -21.981 1.00 0.00 O ATOM 752 OD2 ASP A 47 -5.559 -22.439 -20.580 1.00 0.00 O ATOM 0 H ASP A 47 -1.690 -22.129 -18.007 1.00 0.00 H new ATOM 0 HA ASP A 47 -2.730 -20.210 -19.757 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -2.388 -22.580 -20.315 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -3.603 -23.062 -19.147 1.00 0.00 H new ATOM 757 N GLU A 48 -4.852 -21.198 -17.415 1.00 0.00 N ATOM 758 CA GLU A 48 -6.081 -20.873 -16.715 1.00 0.00 C ATOM 759 C GLU A 48 -5.947 -19.499 -16.064 1.00 0.00 C ATOM 760 O GLU A 48 -6.732 -18.595 -16.342 1.00 0.00 O ATOM 761 CB GLU A 48 -6.379 -21.955 -15.671 1.00 0.00 C ATOM 762 CG GLU A 48 -6.567 -23.337 -16.313 1.00 0.00 C ATOM 763 CD GLU A 48 -6.772 -24.411 -15.252 1.00 0.00 C ATOM 764 OE1 GLU A 48 -7.901 -24.480 -14.721 1.00 0.00 O ATOM 765 OE2 GLU A 48 -5.789 -25.136 -14.983 1.00 0.00 O ATOM 0 H GLU A 48 -4.388 -22.036 -17.064 1.00 0.00 H new ATOM 0 HA GLU A 48 -6.913 -20.840 -17.418 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -5.562 -21.998 -14.950 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -7.279 -21.687 -15.118 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.426 -23.316 -16.984 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.695 -23.582 -16.919 1.00 0.00 H new ATOM 772 N LEU A 49 -4.930 -19.338 -15.213 1.00 0.00 N ATOM 773 CA LEU A 49 -4.709 -18.110 -14.469 1.00 0.00 C ATOM 774 C LEU A 49 -4.671 -16.919 -15.424 1.00 0.00 C ATOM 775 O LEU A 49 -5.422 -15.962 -15.249 1.00 0.00 O ATOM 776 CB LEU A 49 -3.421 -18.234 -13.645 1.00 0.00 C ATOM 777 CG LEU A 49 -3.114 -16.989 -12.794 1.00 0.00 C ATOM 778 CD1 LEU A 49 -4.232 -16.690 -11.786 1.00 0.00 C ATOM 779 CD2 LEU A 49 -1.803 -17.217 -12.038 1.00 0.00 C ATOM 0 H LEU A 49 -4.238 -20.063 -15.025 1.00 0.00 H new ATOM 0 HA LEU A 49 -5.532 -17.941 -13.775 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -3.500 -19.102 -12.990 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.584 -18.419 -14.319 1.00 0.00 H new ATOM 0 HG LEU A 49 -3.034 -16.133 -13.464 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -3.973 -15.803 -11.207 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.166 -16.515 -12.320 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.353 -17.539 -11.114 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -1.576 -16.340 -11.431 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -1.902 -18.089 -11.392 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.996 -17.384 -12.751 1.00 0.00 H new ATOM 791 N PHE A 50 -3.821 -16.990 -16.449 1.00 0.00 N ATOM 792 CA PHE A 50 -3.693 -15.953 -17.458 1.00 0.00 C ATOM 793 C PHE A 50 -5.047 -15.671 -18.102 1.00 0.00 C ATOM 794 O PHE A 50 -5.441 -14.514 -18.203 1.00 0.00 O ATOM 795 CB PHE A 50 -2.639 -16.343 -18.505 1.00 0.00 C ATOM 796 CG PHE A 50 -2.084 -15.163 -19.278 1.00 0.00 C ATOM 797 CD1 PHE A 50 -0.994 -14.451 -18.750 1.00 0.00 C ATOM 798 CD2 PHE A 50 -2.665 -14.745 -20.488 1.00 0.00 C ATOM 799 CE1 PHE A 50 -0.533 -13.285 -19.384 1.00 0.00 C ATOM 800 CE2 PHE A 50 -2.124 -13.644 -21.177 1.00 0.00 C ATOM 801 CZ PHE A 50 -1.057 -12.916 -20.626 1.00 0.00 C ATOM 0 H PHE A 50 -3.196 -17.782 -16.598 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.354 -15.035 -16.978 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -1.818 -16.859 -18.007 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -3.081 -17.051 -19.207 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -0.508 -14.802 -17.852 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.523 -15.267 -20.887 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.224 -12.676 -18.913 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.532 -13.357 -22.135 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.643 -12.074 -21.160 1.00 0.00 H new ATOM 811 N GLU A 51 -5.777 -16.712 -18.515 1.00 0.00 N ATOM 812 CA GLU A 51 -7.072 -16.538 -19.160 1.00 0.00 C ATOM 813 C GLU A 51 -8.063 -15.822 -18.236 1.00 0.00 C ATOM 814 O GLU A 51 -8.814 -14.956 -18.677 1.00 0.00 O ATOM 815 CB GLU A 51 -7.599 -17.906 -19.625 1.00 0.00 C ATOM 816 CG GLU A 51 -8.888 -17.812 -20.455 1.00 0.00 C ATOM 817 CD GLU A 51 -8.703 -17.018 -21.749 1.00 0.00 C ATOM 818 OE1 GLU A 51 -7.723 -17.318 -22.465 1.00 0.00 O ATOM 819 OE2 GLU A 51 -9.551 -16.137 -22.003 1.00 0.00 O ATOM 0 H GLU A 51 -5.488 -17.685 -18.411 1.00 0.00 H new ATOM 0 HA GLU A 51 -6.953 -15.900 -20.036 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.830 -18.402 -20.217 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -7.782 -18.532 -18.752 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -9.233 -18.817 -20.697 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -9.668 -17.343 -19.855 1.00 0.00 H new ATOM 826 N GLU A 52 -8.077 -16.196 -16.956 1.00 0.00 N ATOM 827 CA GLU A 52 -9.019 -15.654 -15.983 1.00 0.00 C ATOM 828 C GLU A 52 -8.674 -14.193 -15.693 1.00 0.00 C ATOM 829 O GLU A 52 -9.539 -13.320 -15.671 1.00 0.00 O ATOM 830 CB GLU A 52 -8.960 -16.490 -14.696 1.00 0.00 C ATOM 831 CG GLU A 52 -9.557 -17.889 -14.895 1.00 0.00 C ATOM 832 CD GLU A 52 -9.257 -18.783 -13.696 1.00 0.00 C ATOM 833 OE1 GLU A 52 -10.046 -18.714 -12.728 1.00 0.00 O ATOM 834 OE2 GLU A 52 -8.238 -19.505 -13.759 1.00 0.00 O ATOM 0 H GLU A 52 -7.433 -16.885 -16.567 1.00 0.00 H new ATOM 0 HA GLU A 52 -10.031 -15.698 -16.384 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -7.924 -16.580 -14.369 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.501 -15.974 -13.903 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -10.635 -17.812 -15.036 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -9.148 -18.338 -15.800 1.00 0.00 H new ATOM 841 N LEU A 53 -7.392 -13.955 -15.432 1.00 0.00 N ATOM 842 CA LEU A 53 -6.832 -12.664 -15.083 1.00 0.00 C ATOM 843 C LEU A 53 -7.011 -11.695 -16.253 1.00 0.00 C ATOM 844 O LEU A 53 -7.602 -10.626 -16.108 1.00 0.00 O ATOM 845 CB LEU A 53 -5.353 -12.911 -14.749 1.00 0.00 C ATOM 846 CG LEU A 53 -4.574 -11.790 -14.054 1.00 0.00 C ATOM 847 CD1 LEU A 53 -3.119 -12.266 -13.997 1.00 0.00 C ATOM 848 CD2 LEU A 53 -4.627 -10.443 -14.777 1.00 0.00 C ATOM 0 H LEU A 53 -6.688 -14.693 -15.461 1.00 0.00 H new ATOM 0 HA LEU A 53 -7.331 -12.210 -14.227 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -5.297 -13.797 -14.117 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.836 -13.149 -15.679 1.00 0.00 H new ATOM 0 HG LEU A 53 -5.021 -11.612 -13.076 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.507 -11.507 -13.510 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.062 -13.196 -13.431 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.751 -12.434 -15.009 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.050 -9.707 -14.217 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.206 -10.550 -15.777 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.662 -10.111 -14.853 1.00 0.00 H new ATOM 860 N ASP A 54 -6.485 -12.064 -17.422 1.00 0.00 N ATOM 861 CA ASP A 54 -6.346 -11.194 -18.580 1.00 0.00 C ATOM 862 C ASP A 54 -7.652 -11.056 -19.369 1.00 0.00 C ATOM 863 O ASP A 54 -7.655 -11.131 -20.596 1.00 0.00 O ATOM 864 CB ASP A 54 -5.226 -11.752 -19.472 1.00 0.00 C ATOM 865 CG ASP A 54 -4.672 -10.710 -20.432 1.00 0.00 C ATOM 866 OD1 ASP A 54 -5.054 -9.530 -20.286 1.00 0.00 O ATOM 867 OD2 ASP A 54 -3.860 -11.106 -21.294 1.00 0.00 O ATOM 0 H ASP A 54 -6.134 -13.007 -17.589 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.094 -10.191 -18.235 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -4.419 -12.128 -18.843 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -5.608 -12.599 -20.041 1.00 0.00 H new ATOM 872 N LYS A 55 -8.764 -10.855 -18.665 1.00 0.00 N ATOM 873 CA LYS A 55 -10.103 -10.866 -19.235 1.00 0.00 C ATOM 874 C LYS A 55 -10.228 -9.852 -20.375 1.00 0.00 C ATOM 875 O LYS A 55 -10.732 -10.175 -21.449 1.00 0.00 O ATOM 876 CB LYS A 55 -11.108 -10.605 -18.106 1.00 0.00 C ATOM 877 CG LYS A 55 -12.562 -10.708 -18.583 1.00 0.00 C ATOM 878 CD LYS A 55 -13.567 -10.797 -17.424 1.00 0.00 C ATOM 879 CE LYS A 55 -13.520 -9.598 -16.464 1.00 0.00 C ATOM 880 NZ LYS A 55 -12.483 -9.751 -15.426 1.00 0.00 N ATOM 0 H LYS A 55 -8.755 -10.676 -17.661 1.00 0.00 H new ATOM 0 HA LYS A 55 -10.315 -11.839 -19.679 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -10.941 -11.321 -17.301 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -10.934 -9.612 -17.691 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -12.800 -9.840 -19.197 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -12.669 -11.587 -19.218 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -14.573 -10.882 -17.835 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -13.375 -11.709 -16.859 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -13.330 -8.688 -17.033 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -14.493 -9.479 -15.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.866 -9.454 -14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -12.189 -10.747 -15.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.662 -9.160 -15.666 1.00 0.00 H new ATOM 923 N GLY A 59 -4.168 -11.726 -24.528 1.00 0.00 N ATOM 924 CA GLY A 59 -2.807 -12.156 -24.811 1.00 0.00 C ATOM 925 C GLY A 59 -1.778 -11.465 -23.918 1.00 0.00 C ATOM 926 O GLY A 59 -0.710 -12.025 -23.680 1.00 0.00 O ATOM 0 HA2 GLY A 59 -2.735 -13.235 -24.675 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.574 -11.950 -25.856 1.00 0.00 H new ATOM 930 N GLU A 60 -2.072 -10.247 -23.449 1.00 0.00 N ATOM 931 CA GLU A 60 -1.136 -9.401 -22.724 1.00 0.00 C ATOM 932 C GLU A 60 -1.856 -8.761 -21.530 1.00 0.00 C ATOM 933 O GLU A 60 -2.900 -8.142 -21.715 1.00 0.00 O ATOM 934 CB GLU A 60 -0.614 -8.326 -23.691 1.00 0.00 C ATOM 935 CG GLU A 60 0.046 -8.876 -24.966 1.00 0.00 C ATOM 936 CD GLU A 60 1.319 -9.660 -24.668 1.00 0.00 C ATOM 937 OE1 GLU A 60 2.140 -9.122 -23.893 1.00 0.00 O ATOM 938 OE2 GLU A 60 1.465 -10.770 -25.223 1.00 0.00 O ATOM 0 H GLU A 60 -2.990 -9.819 -23.569 1.00 0.00 H new ATOM 0 HA GLU A 60 -0.296 -9.983 -22.345 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -1.444 -7.680 -23.977 1.00 0.00 H new ATOM 0 HB3 GLU A 60 0.108 -7.702 -23.164 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -0.661 -9.520 -25.489 1.00 0.00 H new ATOM 0 HG3 GLU A 60 0.280 -8.049 -25.637 1.00 0.00 H new ATOM 945 N VAL A 61 -1.298 -8.886 -20.319 1.00 0.00 N ATOM 946 CA VAL A 61 -1.891 -8.362 -19.090 1.00 0.00 C ATOM 947 C VAL A 61 -1.413 -6.925 -18.891 1.00 0.00 C ATOM 948 O VAL A 61 -0.236 -6.695 -18.617 1.00 0.00 O ATOM 949 CB VAL A 61 -1.509 -9.268 -17.899 1.00 0.00 C ATOM 950 CG1 VAL A 61 -1.861 -8.672 -16.530 1.00 0.00 C ATOM 951 CG2 VAL A 61 -2.242 -10.604 -18.020 1.00 0.00 C ATOM 0 H VAL A 61 -0.409 -9.362 -20.167 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.979 -8.357 -19.158 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.426 -9.383 -17.947 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.563 -9.365 -15.744 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.335 -7.726 -16.399 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.936 -8.500 -16.474 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.973 -11.244 -17.180 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -3.318 -10.430 -18.014 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.958 -11.091 -18.953 1.00 0.00 H new ATOM 961 N SER A 62 -2.320 -5.957 -19.033 1.00 0.00 N ATOM 962 CA SER A 62 -2.075 -4.559 -18.707 1.00 0.00 C ATOM 963 C SER A 62 -2.065 -4.364 -17.196 1.00 0.00 C ATOM 964 O SER A 62 -2.491 -5.245 -16.454 1.00 0.00 O ATOM 965 CB SER A 62 -3.142 -3.713 -19.404 1.00 0.00 C ATOM 966 OG SER A 62 -4.416 -4.117 -18.940 1.00 0.00 O ATOM 0 H SER A 62 -3.262 -6.130 -19.385 1.00 0.00 H new ATOM 0 HA SER A 62 -1.095 -4.241 -19.063 1.00 0.00 H new ATOM 0 HB2 SER A 62 -2.982 -2.655 -19.195 1.00 0.00 H new ATOM 0 HB3 SER A 62 -3.077 -3.838 -20.485 1.00 0.00 H new ATOM 0 HG SER A 62 -5.109 -3.581 -19.378 1.00 0.00 H new ATOM 972 N PHE A 63 -1.579 -3.211 -16.728 1.00 0.00 N ATOM 973 CA PHE A 63 -1.539 -2.914 -15.301 1.00 0.00 C ATOM 974 C PHE A 63 -2.946 -3.016 -14.700 1.00 0.00 C ATOM 975 O PHE A 63 -3.132 -3.484 -13.580 1.00 0.00 O ATOM 976 CB PHE A 63 -0.918 -1.530 -15.062 1.00 0.00 C ATOM 977 CG PHE A 63 -0.620 -1.230 -13.605 1.00 0.00 C ATOM 978 CD1 PHE A 63 0.293 -2.034 -12.897 1.00 0.00 C ATOM 979 CD2 PHE A 63 -1.264 -0.164 -12.948 1.00 0.00 C ATOM 980 CE1 PHE A 63 0.505 -1.820 -11.524 1.00 0.00 C ATOM 981 CE2 PHE A 63 -0.985 0.103 -11.595 1.00 0.00 C ATOM 982 CZ PHE A 63 -0.105 -0.729 -10.880 1.00 0.00 C ATOM 0 H PHE A 63 -1.208 -2.469 -17.321 1.00 0.00 H new ATOM 0 HA PHE A 63 -0.910 -3.649 -14.799 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.007 -1.454 -15.634 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -1.595 -0.768 -15.448 1.00 0.00 H new ATOM 0 HD1 PHE A 63 0.832 -2.817 -13.410 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -1.973 0.450 -13.483 1.00 0.00 H new ATOM 0 HE1 PHE A 63 1.136 -2.494 -10.964 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -1.447 0.947 -11.105 1.00 0.00 H new ATOM 0 HZ PHE A 63 0.102 -0.530 -9.839 1.00 0.00 H new ATOM 992 N GLU A 64 -3.947 -2.611 -15.479 1.00 0.00 N ATOM 993 CA GLU A 64 -5.348 -2.682 -15.106 1.00 0.00 C ATOM 994 C GLU A 64 -5.756 -4.135 -14.863 1.00 0.00 C ATOM 995 O GLU A 64 -6.334 -4.446 -13.823 1.00 0.00 O ATOM 996 CB GLU A 64 -6.211 -2.022 -16.192 1.00 0.00 C ATOM 997 CG GLU A 64 -5.997 -0.500 -16.305 1.00 0.00 C ATOM 998 CD GLU A 64 -4.595 -0.089 -16.755 1.00 0.00 C ATOM 999 OE1 GLU A 64 -4.021 -0.820 -17.593 1.00 0.00 O ATOM 1000 OE2 GLU A 64 -4.101 0.929 -16.225 1.00 0.00 O ATOM 0 H GLU A 64 -3.797 -2.216 -16.407 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.506 -2.136 -14.176 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.988 -2.485 -17.153 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -7.262 -2.219 -15.980 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -6.724 -0.095 -17.009 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -6.202 -0.044 -15.336 1.00 0.00 H new ATOM 1007 N GLU A 65 -5.433 -5.035 -15.797 1.00 0.00 N ATOM 1008 CA GLU A 65 -5.725 -6.445 -15.587 1.00 0.00 C ATOM 1009 C GLU A 65 -4.912 -6.969 -14.400 1.00 0.00 C ATOM 1010 O GLU A 65 -5.445 -7.646 -13.528 1.00 0.00 O ATOM 1011 CB GLU A 65 -5.474 -7.240 -16.875 1.00 0.00 C ATOM 1012 CG GLU A 65 -6.393 -6.814 -18.028 1.00 0.00 C ATOM 1013 CD GLU A 65 -7.871 -6.914 -17.673 1.00 0.00 C ATOM 1014 OE1 GLU A 65 -8.408 -8.037 -17.780 1.00 0.00 O ATOM 1015 OE2 GLU A 65 -8.440 -5.866 -17.296 1.00 0.00 O ATOM 0 H GLU A 65 -4.980 -4.814 -16.684 1.00 0.00 H new ATOM 0 HA GLU A 65 -6.779 -6.573 -15.341 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.435 -7.112 -17.179 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -5.619 -8.302 -16.675 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.161 -5.787 -18.311 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.190 -7.438 -18.898 1.00 0.00 H new ATOM 1022 N PHE A 66 -3.628 -6.614 -14.329 1.00 0.00 N ATOM 1023 CA PHE A 66 -2.742 -7.003 -13.241 1.00 0.00 C ATOM 1024 C PHE A 66 -3.358 -6.639 -11.892 1.00 0.00 C ATOM 1025 O PHE A 66 -3.317 -7.426 -10.952 1.00 0.00 O ATOM 1026 CB PHE A 66 -1.370 -6.347 -13.409 1.00 0.00 C ATOM 1027 CG PHE A 66 -0.303 -6.936 -12.512 1.00 0.00 C ATOM 1028 CD1 PHE A 66 0.263 -8.184 -12.827 1.00 0.00 C ATOM 1029 CD2 PHE A 66 0.136 -6.235 -11.373 1.00 0.00 C ATOM 1030 CE1 PHE A 66 1.291 -8.712 -12.029 1.00 0.00 C ATOM 1031 CE2 PHE A 66 1.172 -6.759 -10.583 1.00 0.00 C ATOM 1032 CZ PHE A 66 1.757 -7.991 -10.917 1.00 0.00 C ATOM 0 H PHE A 66 -3.172 -6.040 -15.038 1.00 0.00 H new ATOM 0 HA PHE A 66 -2.609 -8.084 -13.272 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.054 -6.445 -14.448 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.459 -5.280 -13.202 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.093 -8.737 -13.684 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.324 -5.295 -11.107 1.00 0.00 H new ATOM 0 HE1 PHE A 66 1.723 -9.672 -12.270 1.00 0.00 H new ATOM 0 HE2 PHE A 66 1.519 -6.214 -9.718 1.00 0.00 H new ATOM 0 HZ PHE A 66 2.566 -8.384 -10.319 1.00 0.00 H new ATOM 1042 N GLN A 67 -3.978 -5.463 -11.803 1.00 0.00 N ATOM 1043 CA GLN A 67 -4.687 -5.027 -10.610 1.00 0.00 C ATOM 1044 C GLN A 67 -5.700 -6.072 -10.124 1.00 0.00 C ATOM 1045 O GLN A 67 -5.862 -6.247 -8.919 1.00 0.00 O ATOM 1046 CB GLN A 67 -5.347 -3.656 -10.841 1.00 0.00 C ATOM 1047 CG GLN A 67 -4.862 -2.610 -9.828 1.00 0.00 C ATOM 1048 CD GLN A 67 -3.353 -2.360 -9.861 1.00 0.00 C ATOM 1049 OE1 GLN A 67 -2.766 -1.990 -8.850 1.00 0.00 O ATOM 1050 NE2 GLN A 67 -2.705 -2.561 -11.002 1.00 0.00 N ATOM 0 H GLN A 67 -4.000 -4.784 -12.564 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.952 -4.917 -9.812 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -5.126 -3.312 -11.852 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -6.430 -3.757 -10.768 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -5.379 -1.669 -10.017 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -5.144 -2.933 -8.826 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.214 -2.869 -11.830 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -1.698 -2.408 -11.050 1.00 0.00 H new ATOM 1059 N VAL A 68 -6.365 -6.793 -11.033 1.00 0.00 N ATOM 1060 CA VAL A 68 -7.250 -7.890 -10.644 1.00 0.00 C ATOM 1061 C VAL A 68 -6.466 -8.952 -9.860 1.00 0.00 C ATOM 1062 O VAL A 68 -6.973 -9.502 -8.886 1.00 0.00 O ATOM 1063 CB VAL A 68 -7.971 -8.489 -11.868 1.00 0.00 C ATOM 1064 CG1 VAL A 68 -8.997 -9.547 -11.438 1.00 0.00 C ATOM 1065 CG2 VAL A 68 -8.705 -7.403 -12.669 1.00 0.00 C ATOM 0 H VAL A 68 -6.306 -6.636 -12.039 1.00 0.00 H new ATOM 0 HA VAL A 68 -8.025 -7.495 -9.987 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.204 -8.948 -12.492 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -9.492 -9.954 -12.320 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -8.489 -10.350 -10.904 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -9.740 -9.089 -10.784 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -9.203 -7.857 -13.526 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -9.446 -6.920 -12.032 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.987 -6.661 -13.018 1.00 0.00 H new ATOM 1075 N LEU A 69 -5.221 -9.224 -10.257 1.00 0.00 N ATOM 1076 CA LEU A 69 -4.318 -10.100 -9.522 1.00 0.00 C ATOM 1077 C LEU A 69 -3.948 -9.431 -8.192 1.00 0.00 C ATOM 1078 O LEU A 69 -4.012 -10.066 -7.141 1.00 0.00 O ATOM 1079 CB LEU A 69 -3.093 -10.424 -10.401 1.00 0.00 C ATOM 1080 CG LEU A 69 -2.358 -11.748 -10.126 1.00 0.00 C ATOM 1081 CD1 LEU A 69 -1.653 -11.769 -8.769 1.00 0.00 C ATOM 1082 CD2 LEU A 69 -3.259 -12.982 -10.263 1.00 0.00 C ATOM 0 H LEU A 69 -4.811 -8.836 -11.107 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.796 -11.050 -9.284 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.416 -10.427 -11.442 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.375 -9.611 -10.293 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.598 -11.801 -10.905 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.153 -12.728 -8.633 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -0.916 -10.967 -8.729 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.387 -11.627 -7.976 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -2.679 -13.881 -10.056 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -4.083 -12.911 -9.554 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -3.656 -13.032 -11.277 1.00 0.00 H new ATOM 1094 N VAL A 70 -3.606 -8.136 -8.211 1.00 0.00 N ATOM 1095 CA VAL A 70 -3.279 -7.389 -6.994 1.00 0.00 C ATOM 1096 C VAL A 70 -4.388 -7.520 -5.942 1.00 0.00 C ATOM 1097 O VAL A 70 -4.098 -7.729 -4.765 1.00 0.00 O ATOM 1098 CB VAL A 70 -2.923 -5.918 -7.283 1.00 0.00 C ATOM 1099 CG1 VAL A 70 -2.572 -5.167 -5.991 1.00 0.00 C ATOM 1100 CG2 VAL A 70 -1.722 -5.813 -8.234 1.00 0.00 C ATOM 0 H VAL A 70 -3.549 -7.582 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.380 -7.841 -6.576 1.00 0.00 H new ATOM 0 HB VAL A 70 -3.803 -5.470 -7.745 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.325 -4.132 -6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -3.425 -5.191 -5.313 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.716 -5.644 -5.514 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.495 -4.763 -8.419 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.856 -6.297 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -1.961 -6.304 -9.177 1.00 0.00 H new