USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 527 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 21 ASN : amide:sc= 1.15 K(o=3.1,f=1.9) USER MOD Set 1.2: A 22 GLN : amide:sc= 1.98 K(o=3.1,f=1.9) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0136) USER MOD Single : A 13 TYR OH : rot 26:sc= 1.26 USER MOD Single : A 16 LYS NZ :NH3+ 146:sc= 1.1 (180deg=0.372) USER MOD Single : A 24 SER OG : rot -73:sc= 1.27 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -165:sc=-0.000654 (180deg=-0.152) USER MOD Single : A 33 GLN : amide:sc= -0.238 X(o=-0.24,f=-0.19) USER MOD Single : A 34 THR OG1 : rot 77:sc= 1.11 USER MOD Single : A 45 THR OG1 : rot -166:sc= 0.588 USER MOD Single : A 55 LYS NZ :NH3+ 174:sc= 0.959 (180deg=0.89) USER MOD Single : A 56 ASN : amide:sc= 1.15 K(o=1.1,f=-0.1) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -1.47 K(o=-1.5,f=-2.3) USER MOD Single : A 71 LYS NZ :NH3+ -170:sc=-0.000447 (180deg=-0.105) USER MOD Single : A 72 LYS NZ :NH3+ 137:sc= 0.0753 (180deg=-0.279) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= 0.0554 X(o=0.055,f=0) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.549 1.939 -5.974 1.00 0.00 N ATOM 37 CA PRO A 3 -11.250 2.448 -5.546 1.00 0.00 C ATOM 38 C PRO A 3 -11.328 3.167 -4.198 1.00 0.00 C ATOM 39 O PRO A 3 -10.410 3.066 -3.391 1.00 0.00 O ATOM 40 CB PRO A 3 -10.786 3.400 -6.651 1.00 0.00 C ATOM 41 CG PRO A 3 -11.479 2.846 -7.891 1.00 0.00 C ATOM 42 CD PRO A 3 -12.820 2.361 -7.342 1.00 0.00 C ATOM 0 HA PRO A 3 -10.547 1.629 -5.398 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -11.082 4.429 -6.448 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.701 3.396 -6.759 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.608 3.610 -8.657 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.910 2.034 -8.344 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.565 3.156 -7.367 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -13.213 1.536 -7.937 1.00 0.00 H new ATOM 50 N GLU A 4 -12.431 3.885 -3.949 1.00 0.00 N ATOM 51 CA GLU A 4 -12.680 4.609 -2.710 1.00 0.00 C ATOM 52 C GLU A 4 -12.472 3.694 -1.497 1.00 0.00 C ATOM 53 O GLU A 4 -11.927 4.111 -0.480 1.00 0.00 O ATOM 54 CB GLU A 4 -14.101 5.189 -2.745 1.00 0.00 C ATOM 55 CG GLU A 4 -14.369 6.116 -1.554 1.00 0.00 C ATOM 56 CD GLU A 4 -15.755 6.746 -1.651 1.00 0.00 C ATOM 57 OE1 GLU A 4 -15.857 7.783 -2.342 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.685 6.172 -1.046 1.00 0.00 O ATOM 0 H GLU A 4 -13.190 3.976 -4.625 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.970 5.430 -2.615 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.245 5.740 -3.674 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.826 4.375 -2.742 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -14.286 5.553 -0.625 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.611 6.899 -1.521 1.00 0.00 H new ATOM 65 N GLU A 5 -12.885 2.432 -1.601 1.00 0.00 N ATOM 66 CA GLU A 5 -12.713 1.465 -0.531 1.00 0.00 C ATOM 67 C GLU A 5 -11.217 1.253 -0.250 1.00 0.00 C ATOM 68 O GLU A 5 -10.781 1.237 0.900 1.00 0.00 O ATOM 69 CB GLU A 5 -13.540 0.206 -0.859 1.00 0.00 C ATOM 70 CG GLU A 5 -12.723 -1.050 -1.180 1.00 0.00 C ATOM 71 CD GLU A 5 -13.621 -2.144 -1.742 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.079 -1.949 -2.888 1.00 0.00 O ATOM 73 OE2 GLU A 5 -13.839 -3.143 -1.021 1.00 0.00 O ATOM 0 H GLU A 5 -13.347 2.057 -2.430 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.108 1.823 0.420 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.192 -0.011 -0.013 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.185 0.427 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.941 -0.808 -1.900 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -12.226 -1.407 -0.278 1.00 0.00 H new ATOM 80 N LEU A 6 -10.418 1.127 -1.311 1.00 0.00 N ATOM 81 CA LEU A 6 -8.982 0.929 -1.196 1.00 0.00 C ATOM 82 C LEU A 6 -8.347 2.234 -0.716 1.00 0.00 C ATOM 83 O LEU A 6 -7.359 2.205 0.010 1.00 0.00 O ATOM 84 CB LEU A 6 -8.401 0.376 -2.504 1.00 0.00 C ATOM 85 CG LEU A 6 -8.767 -1.113 -2.673 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.720 -1.524 -4.146 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.825 -2.030 -1.883 1.00 0.00 C ATOM 0 H LEU A 6 -10.754 1.160 -2.273 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.748 0.169 -0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.784 0.948 -3.349 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.317 0.492 -2.505 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.779 -1.226 -2.285 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -8.982 -2.578 -4.238 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.430 -0.923 -4.714 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.715 -1.364 -4.536 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.120 -3.069 -2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.802 -1.890 -2.233 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.883 -1.784 -0.823 1.00 0.00 H new ATOM 99 N LYS A 7 -8.916 3.383 -1.083 1.00 0.00 N ATOM 100 CA LYS A 7 -8.481 4.679 -0.587 1.00 0.00 C ATOM 101 C LYS A 7 -8.719 4.722 0.924 1.00 0.00 C ATOM 102 O LYS A 7 -7.872 5.206 1.672 1.00 0.00 O ATOM 103 CB LYS A 7 -9.228 5.797 -1.322 1.00 0.00 C ATOM 104 CG LYS A 7 -8.571 7.163 -1.083 1.00 0.00 C ATOM 105 CD LYS A 7 -9.258 8.241 -1.926 1.00 0.00 C ATOM 106 CE LYS A 7 -8.576 9.595 -1.706 1.00 0.00 C ATOM 107 NZ LYS A 7 -9.210 10.654 -2.510 1.00 0.00 N ATOM 0 H LYS A 7 -9.697 3.435 -1.737 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.418 4.830 -0.775 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -9.246 5.583 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.264 5.826 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -8.634 7.424 -0.027 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -7.512 7.114 -1.337 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -9.215 7.971 -2.981 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -10.312 8.308 -1.656 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -8.623 9.860 -0.650 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.521 9.519 -1.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -8.725 11.558 -2.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -9.143 10.411 -3.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -10.211 10.742 -2.241 1.00 0.00 H new ATOM 121 N GLY A 8 -9.861 4.199 1.377 1.00 0.00 N ATOM 122 CA GLY A 8 -10.203 4.130 2.787 1.00 0.00 C ATOM 123 C GLY A 8 -9.137 3.315 3.507 1.00 0.00 C ATOM 124 O GLY A 8 -8.559 3.768 4.490 1.00 0.00 O ATOM 0 H GLY A 8 -10.577 3.809 0.764 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.263 5.132 3.211 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -11.183 3.670 2.916 1.00 0.00 H new ATOM 128 N ILE A 9 -8.863 2.110 3.002 1.00 0.00 N ATOM 129 CA ILE A 9 -7.844 1.217 3.547 1.00 0.00 C ATOM 130 C ILE A 9 -6.490 1.940 3.588 1.00 0.00 C ATOM 131 O ILE A 9 -5.836 2.000 4.628 1.00 0.00 O ATOM 132 CB ILE A 9 -7.803 -0.065 2.696 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.120 -0.858 2.812 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.584 -0.938 3.019 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.191 -1.783 4.033 1.00 0.00 C ATOM 0 H ILE A 9 -9.350 1.724 2.193 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.084 0.933 4.572 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.696 0.246 1.657 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -9.952 -0.155 2.854 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.252 -1.455 1.910 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.600 -1.830 2.393 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.671 -0.375 2.825 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.614 -1.230 4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.149 -2.303 4.040 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.382 -2.512 3.985 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.093 -1.192 4.943 1.00 0.00 H new ATOM 147 N PHE A 10 -6.070 2.498 2.452 1.00 0.00 N ATOM 148 CA PHE A 10 -4.824 3.238 2.319 1.00 0.00 C ATOM 149 C PHE A 10 -4.729 4.282 3.430 1.00 0.00 C ATOM 150 O PHE A 10 -3.756 4.305 4.174 1.00 0.00 O ATOM 151 CB PHE A 10 -4.763 3.911 0.941 1.00 0.00 C ATOM 152 CG PHE A 10 -3.568 4.819 0.749 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.622 6.131 1.258 1.00 0.00 C ATOM 154 CD2 PHE A 10 -2.324 4.281 0.378 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.459 6.711 1.778 1.00 0.00 C ATOM 156 CE2 PHE A 10 -1.153 5.005 0.652 1.00 0.00 C ATOM 157 CZ PHE A 10 -1.215 6.143 1.471 1.00 0.00 C ATOM 0 H PHE A 10 -6.601 2.444 1.583 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.981 2.552 2.407 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.746 3.139 0.172 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.674 4.491 0.791 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.550 6.683 1.247 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.269 3.321 -0.113 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.520 7.586 2.408 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.209 4.688 0.235 1.00 0.00 H new ATOM 0 HZ PHE A 10 -0.308 6.579 1.863 1.00 0.00 H new ATOM 167 N GLU A 11 -5.747 5.139 3.540 1.00 0.00 N ATOM 168 CA GLU A 11 -5.801 6.194 4.536 1.00 0.00 C ATOM 169 C GLU A 11 -5.711 5.599 5.943 1.00 0.00 C ATOM 170 O GLU A 11 -4.934 6.076 6.765 1.00 0.00 O ATOM 171 CB GLU A 11 -7.080 7.018 4.333 1.00 0.00 C ATOM 172 CG GLU A 11 -7.076 8.284 5.200 1.00 0.00 C ATOM 173 CD GLU A 11 -8.317 9.129 4.933 1.00 0.00 C ATOM 174 OE1 GLU A 11 -9.327 8.890 5.631 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.238 9.987 4.028 1.00 0.00 O ATOM 0 H GLU A 11 -6.563 5.113 2.929 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.949 6.863 4.419 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -7.173 7.295 3.283 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.950 6.409 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.039 8.008 6.254 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.180 8.870 4.992 1.00 0.00 H new ATOM 182 N LYS A 12 -6.503 4.558 6.216 1.00 0.00 N ATOM 183 CA LYS A 12 -6.535 3.877 7.502 1.00 0.00 C ATOM 184 C LYS A 12 -5.117 3.499 7.924 1.00 0.00 C ATOM 185 O LYS A 12 -4.710 3.808 9.041 1.00 0.00 O ATOM 186 CB LYS A 12 -7.443 2.638 7.431 1.00 0.00 C ATOM 187 CG LYS A 12 -7.712 2.032 8.817 1.00 0.00 C ATOM 188 CD LYS A 12 -8.239 0.592 8.718 1.00 0.00 C ATOM 189 CE LYS A 12 -9.483 0.446 7.832 1.00 0.00 C ATOM 190 NZ LYS A 12 -10.592 1.299 8.293 1.00 0.00 N ATOM 0 H LYS A 12 -7.149 4.162 5.533 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.949 4.550 8.253 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.390 2.911 6.966 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.979 1.886 6.792 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.793 2.043 9.403 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.437 2.648 9.349 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -7.448 -0.048 8.326 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -8.474 0.232 9.720 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.229 0.706 6.804 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -9.804 -0.595 7.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -11.438 1.108 7.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.796 1.093 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -10.325 2.299 8.193 1.00 0.00 H new ATOM 204 N TYR A 13 -4.358 2.834 7.049 1.00 0.00 N ATOM 205 CA TYR A 13 -3.002 2.459 7.407 1.00 0.00 C ATOM 206 C TYR A 13 -2.083 3.681 7.424 1.00 0.00 C ATOM 207 O TYR A 13 -1.340 3.853 8.386 1.00 0.00 O ATOM 208 CB TYR A 13 -2.516 1.282 6.569 1.00 0.00 C ATOM 209 CG TYR A 13 -3.109 -0.024 7.064 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.396 -0.404 6.646 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.383 -0.864 7.930 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.967 -1.598 7.107 1.00 0.00 C ATOM 213 CE2 TYR A 13 -3.010 -1.988 8.493 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.292 -2.371 8.064 1.00 0.00 C ATOM 215 OH TYR A 13 -4.857 -3.511 8.549 1.00 0.00 O ATOM 0 H TYR A 13 -4.655 2.554 6.114 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.983 2.087 8.431 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.790 1.437 5.526 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.428 1.229 6.608 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.948 0.228 5.966 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.351 -0.646 8.160 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.924 -1.922 6.727 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.505 -2.559 9.258 1.00 0.00 H new ATOM 0 HH TYR A 13 -5.482 -3.874 7.887 1.00 0.00 H new ATOM 225 N ALA A 14 -2.117 4.552 6.410 1.00 0.00 N ATOM 226 CA ALA A 14 -1.275 5.744 6.400 1.00 0.00 C ATOM 227 C ALA A 14 -1.383 6.522 7.716 1.00 0.00 C ATOM 228 O ALA A 14 -0.380 6.957 8.276 1.00 0.00 O ATOM 229 CB ALA A 14 -1.666 6.626 5.216 1.00 0.00 C ATOM 0 H ALA A 14 -2.717 4.451 5.591 1.00 0.00 H new ATOM 0 HA ALA A 14 -0.235 5.435 6.296 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -1.040 7.518 5.204 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.526 6.072 4.288 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.712 6.918 5.310 1.00 0.00 H new ATOM 235 N ALA A 15 -2.608 6.674 8.227 1.00 0.00 N ATOM 236 CA ALA A 15 -2.910 7.405 9.447 1.00 0.00 C ATOM 237 C ALA A 15 -2.010 7.010 10.619 1.00 0.00 C ATOM 238 O ALA A 15 -1.704 7.859 11.449 1.00 0.00 O ATOM 239 CB ALA A 15 -4.386 7.230 9.812 1.00 0.00 C ATOM 0 H ALA A 15 -3.437 6.277 7.785 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.708 8.457 9.248 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.602 7.781 10.727 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.009 7.612 9.003 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.600 6.172 9.966 1.00 0.00 H new ATOM 245 N LYS A 16 -1.563 5.751 10.705 1.00 0.00 N ATOM 246 CA LYS A 16 -0.695 5.305 11.786 1.00 0.00 C ATOM 247 C LYS A 16 0.592 6.143 11.829 1.00 0.00 C ATOM 248 O LYS A 16 1.108 6.446 12.901 1.00 0.00 O ATOM 249 CB LYS A 16 -0.368 3.823 11.591 1.00 0.00 C ATOM 250 CG LYS A 16 -0.939 2.914 12.681 1.00 0.00 C ATOM 251 CD LYS A 16 -2.467 2.741 12.637 1.00 0.00 C ATOM 252 CE LYS A 16 -2.984 2.063 11.360 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.312 0.782 11.080 1.00 0.00 N ATOM 0 H LYS A 16 -1.794 5.023 10.029 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.210 5.437 12.738 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.753 3.500 10.624 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.715 3.701 11.560 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.473 1.932 12.597 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -0.660 3.317 13.655 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.780 2.154 13.500 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.936 3.721 12.731 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.056 1.892 11.454 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.841 2.735 10.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.987 0.125 10.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.513 0.943 10.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -1.960 0.373 11.969 1.00 0.00 H new ATOM 267 N GLU A 17 1.098 6.528 10.656 1.00 0.00 N ATOM 268 CA GLU A 17 2.289 7.359 10.512 1.00 0.00 C ATOM 269 C GLU A 17 2.011 8.790 10.985 1.00 0.00 C ATOM 270 O GLU A 17 2.931 9.552 11.268 1.00 0.00 O ATOM 271 CB GLU A 17 2.621 7.421 9.015 1.00 0.00 C ATOM 272 CG GLU A 17 4.019 7.984 8.717 1.00 0.00 C ATOM 273 CD GLU A 17 4.247 8.117 7.216 1.00 0.00 C ATOM 274 OE1 GLU A 17 4.141 7.071 6.544 1.00 0.00 O ATOM 275 OE2 GLU A 17 4.543 9.248 6.772 1.00 0.00 O ATOM 0 H GLU A 17 0.681 6.264 9.763 1.00 0.00 H new ATOM 0 HA GLU A 17 3.102 6.938 11.103 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.545 6.419 8.593 1.00 0.00 H new ATOM 0 HB3 GLU A 17 1.876 8.037 8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 17 4.131 8.958 9.193 1.00 0.00 H new ATOM 0 HG3 GLU A 17 4.777 7.330 9.147 1.00 0.00 H new ATOM 282 N GLY A 18 0.739 9.169 11.032 1.00 0.00 N ATOM 283 CA GLY A 18 0.276 10.499 11.381 1.00 0.00 C ATOM 284 C GLY A 18 -0.100 11.161 10.065 1.00 0.00 C ATOM 285 O GLY A 18 -1.224 11.618 9.887 1.00 0.00 O ATOM 0 H GLY A 18 -0.026 8.529 10.819 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -0.580 10.452 12.054 1.00 0.00 H new ATOM 0 HA3 GLY A 18 1.055 11.063 11.895 1.00 0.00 H new ATOM 289 N ASP A 19 0.849 11.181 9.125 1.00 0.00 N ATOM 290 CA ASP A 19 0.641 11.700 7.782 1.00 0.00 C ATOM 291 C ASP A 19 -0.390 10.786 7.101 1.00 0.00 C ATOM 292 O ASP A 19 -0.093 9.611 6.899 1.00 0.00 O ATOM 293 CB ASP A 19 1.979 11.684 7.032 1.00 0.00 C ATOM 294 CG ASP A 19 1.854 12.253 5.623 1.00 0.00 C ATOM 295 OD1 ASP A 19 1.087 11.657 4.836 1.00 0.00 O ATOM 296 OD2 ASP A 19 2.520 13.277 5.360 1.00 0.00 O ATOM 0 H ASP A 19 1.794 10.831 9.283 1.00 0.00 H new ATOM 0 HA ASP A 19 0.274 12.726 7.791 1.00 0.00 H new ATOM 0 HB2 ASP A 19 2.715 12.262 7.592 1.00 0.00 H new ATOM 0 HB3 ASP A 19 2.351 10.661 6.978 1.00 0.00 H new ATOM 301 N PRO A 20 -1.589 11.269 6.743 1.00 0.00 N ATOM 302 CA PRO A 20 -2.623 10.425 6.162 1.00 0.00 C ATOM 303 C PRO A 20 -2.404 10.135 4.671 1.00 0.00 C ATOM 304 O PRO A 20 -3.146 9.342 4.100 1.00 0.00 O ATOM 305 CB PRO A 20 -3.917 11.214 6.372 1.00 0.00 C ATOM 306 CG PRO A 20 -3.451 12.664 6.248 1.00 0.00 C ATOM 307 CD PRO A 20 -2.071 12.633 6.908 1.00 0.00 C ATOM 0 HA PRO A 20 -2.631 9.442 6.634 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.669 10.965 5.623 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.360 11.013 7.348 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.395 12.983 5.207 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.127 13.351 6.756 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.395 13.347 6.437 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.135 12.901 7.963 1.00 0.00 H new ATOM 315 N ASN A 21 -1.418 10.768 4.022 1.00 0.00 N ATOM 316 CA ASN A 21 -1.155 10.608 2.602 1.00 0.00 C ATOM 317 C ASN A 21 -0.084 9.556 2.319 1.00 0.00 C ATOM 318 O ASN A 21 -0.134 8.942 1.255 1.00 0.00 O ATOM 319 CB ASN A 21 -0.765 11.967 2.014 1.00 0.00 C ATOM 320 CG ASN A 21 -0.316 11.824 0.566 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.117 11.612 -0.335 1.00 0.00 O ATOM 322 ND2 ASN A 21 0.976 11.930 0.311 1.00 0.00 N ATOM 0 H ASN A 21 -0.776 11.413 4.483 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.064 10.245 2.123 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.613 12.649 2.070 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.037 12.407 2.606 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.316 11.835 -0.646 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.633 12.107 1.071 1.00 0.00 H new ATOM 329 N GLN A 22 0.877 9.342 3.227 1.00 0.00 N ATOM 330 CA GLN A 22 1.948 8.369 3.027 1.00 0.00 C ATOM 331 C GLN A 22 1.838 7.107 3.888 1.00 0.00 C ATOM 332 O GLN A 22 1.468 7.157 5.055 1.00 0.00 O ATOM 333 CB GLN A 22 3.333 8.972 3.295 1.00 0.00 C ATOM 334 CG GLN A 22 3.864 9.942 2.233 1.00 0.00 C ATOM 335 CD GLN A 22 3.772 11.369 2.744 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.913 12.139 2.333 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.658 11.745 3.650 1.00 0.00 N ATOM 0 H GLN A 22 0.930 9.839 4.116 1.00 0.00 H new ATOM 0 HA GLN A 22 1.831 8.087 1.981 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.300 9.495 4.251 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.048 8.156 3.402 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.899 9.699 1.991 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.289 9.838 1.313 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.364 11.086 3.977 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.635 12.694 4.022 1.00 0.00 H new ATOM 346 N LEU A 23 2.218 5.977 3.289 1.00 0.00 N ATOM 347 CA LEU A 23 2.337 4.661 3.901 1.00 0.00 C ATOM 348 C LEU A 23 3.824 4.399 4.117 1.00 0.00 C ATOM 349 O LEU A 23 4.536 4.118 3.161 1.00 0.00 O ATOM 350 CB LEU A 23 1.844 3.596 2.922 1.00 0.00 C ATOM 351 CG LEU A 23 0.364 3.256 3.024 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.037 2.265 1.898 1.00 0.00 C ATOM 353 CD2 LEU A 23 -0.017 2.612 4.355 1.00 0.00 C ATOM 0 H LEU A 23 2.466 5.960 2.300 1.00 0.00 H new ATOM 0 HA LEU A 23 1.762 4.626 4.827 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.053 3.934 1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.421 2.685 3.080 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.198 4.186 2.945 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -1.019 2.000 1.942 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.256 2.724 0.934 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.642 1.366 2.017 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.085 2.395 4.362 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.542 1.685 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.220 3.295 5.171 1.00 0.00 H new ATOM 365 N SER A 24 4.326 4.469 5.342 1.00 0.00 N ATOM 366 CA SER A 24 5.742 4.237 5.589 1.00 0.00 C ATOM 367 C SER A 24 6.075 2.785 5.240 1.00 0.00 C ATOM 368 O SER A 24 5.195 1.935 5.277 1.00 0.00 O ATOM 369 CB SER A 24 6.090 4.578 7.046 1.00 0.00 C ATOM 370 OG SER A 24 4.919 4.796 7.810 1.00 0.00 O ATOM 0 H SER A 24 3.778 4.683 6.175 1.00 0.00 H new ATOM 0 HA SER A 24 6.348 4.888 4.958 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.669 3.765 7.485 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.718 5.468 7.075 1.00 0.00 H new ATOM 0 HG SER A 24 4.523 5.658 7.563 1.00 0.00 H new ATOM 376 N LYS A 25 7.333 2.483 4.912 1.00 0.00 N ATOM 377 CA LYS A 25 7.759 1.116 4.618 1.00 0.00 C ATOM 378 C LYS A 25 7.245 0.166 5.703 1.00 0.00 C ATOM 379 O LYS A 25 6.562 -0.820 5.434 1.00 0.00 O ATOM 380 CB LYS A 25 9.286 1.105 4.438 1.00 0.00 C ATOM 381 CG LYS A 25 9.967 -0.202 4.865 1.00 0.00 C ATOM 382 CD LYS A 25 11.419 -0.272 4.386 1.00 0.00 C ATOM 383 CE LYS A 25 12.290 0.860 4.945 1.00 0.00 C ATOM 384 NZ LYS A 25 13.705 0.674 4.579 1.00 0.00 N ATOM 0 H LYS A 25 8.079 3.175 4.843 1.00 0.00 H new ATOM 0 HA LYS A 25 7.328 0.754 3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.517 1.295 3.390 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.713 1.927 5.013 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.939 -0.288 5.951 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.411 -1.049 4.463 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.847 -1.231 4.679 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.439 -0.234 3.297 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.936 1.817 4.563 1.00 0.00 H new ATOM 0 HE3 LYS A 25 12.194 0.894 6.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.270 1.454 4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.047 -0.229 4.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.797 0.665 3.543 1.00 0.00 H new ATOM 398 N GLU A 26 7.574 0.502 6.946 1.00 0.00 N ATOM 399 CA GLU A 26 7.119 -0.232 8.119 1.00 0.00 C ATOM 400 C GLU A 26 5.583 -0.360 8.118 1.00 0.00 C ATOM 401 O GLU A 26 5.053 -1.425 8.410 1.00 0.00 O ATOM 402 CB GLU A 26 7.663 0.452 9.384 1.00 0.00 C ATOM 403 CG GLU A 26 7.688 -0.481 10.605 1.00 0.00 C ATOM 404 CD GLU A 26 6.307 -0.802 11.171 1.00 0.00 C ATOM 405 OE1 GLU A 26 5.486 0.138 11.240 1.00 0.00 O ATOM 406 OE2 GLU A 26 6.108 -1.981 11.538 1.00 0.00 O ATOM 0 H GLU A 26 8.170 1.299 7.168 1.00 0.00 H new ATOM 0 HA GLU A 26 7.508 -1.250 8.099 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.672 0.814 9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.050 1.324 9.612 1.00 0.00 H new ATOM 0 HG2 GLU A 26 8.181 -1.413 10.327 1.00 0.00 H new ATOM 0 HG3 GLU A 26 8.292 -0.022 11.388 1.00 0.00 H new ATOM 413 N GLU A 27 4.858 0.709 7.778 1.00 0.00 N ATOM 414 CA GLU A 27 3.400 0.689 7.742 1.00 0.00 C ATOM 415 C GLU A 27 2.894 -0.274 6.669 1.00 0.00 C ATOM 416 O GLU A 27 1.917 -0.996 6.875 1.00 0.00 O ATOM 417 CB GLU A 27 2.858 2.109 7.490 1.00 0.00 C ATOM 418 CG GLU A 27 1.349 2.213 7.734 1.00 0.00 C ATOM 419 CD GLU A 27 0.951 1.805 9.149 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.756 2.065 10.069 1.00 0.00 O ATOM 421 OE2 GLU A 27 -0.144 1.221 9.284 1.00 0.00 O ATOM 0 H GLU A 27 5.267 1.608 7.521 1.00 0.00 H new ATOM 0 HA GLU A 27 3.036 0.339 8.708 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.377 2.813 8.140 1.00 0.00 H new ATOM 0 HB3 GLU A 27 3.078 2.401 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.026 3.238 7.551 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.825 1.581 7.017 1.00 0.00 H new ATOM 428 N LEU A 28 3.549 -0.287 5.508 1.00 0.00 N ATOM 429 CA LEU A 28 3.159 -1.168 4.425 1.00 0.00 C ATOM 430 C LEU A 28 3.134 -2.617 4.912 1.00 0.00 C ATOM 431 O LEU A 28 2.219 -3.356 4.573 1.00 0.00 O ATOM 432 CB LEU A 28 4.101 -0.990 3.227 1.00 0.00 C ATOM 433 CG LEU A 28 3.545 -1.670 1.965 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.353 -0.915 1.369 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.640 -1.822 0.909 1.00 0.00 C ATOM 0 H LEU A 28 4.352 0.306 5.300 1.00 0.00 H new ATOM 0 HA LEU A 28 2.153 -0.908 4.094 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.248 0.073 3.034 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.078 -1.409 3.466 1.00 0.00 H new ATOM 0 HG LEU A 28 3.192 -2.655 2.270 1.00 0.00 H new ATOM 0 HD11 LEU A 28 1.999 -1.437 0.480 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.550 -0.864 2.104 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.661 0.095 1.098 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.227 -2.305 0.024 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.025 -0.838 0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.450 -2.431 1.310 1.00 0.00 H new ATOM 447 N LYS A 29 4.123 -3.028 5.712 1.00 0.00 N ATOM 448 CA LYS A 29 4.207 -4.388 6.240 1.00 0.00 C ATOM 449 C LYS A 29 2.870 -4.851 6.832 1.00 0.00 C ATOM 450 O LYS A 29 2.242 -5.778 6.319 1.00 0.00 O ATOM 451 CB LYS A 29 5.330 -4.451 7.280 1.00 0.00 C ATOM 452 CG LYS A 29 5.499 -5.823 7.931 1.00 0.00 C ATOM 453 CD LYS A 29 5.924 -6.890 6.912 1.00 0.00 C ATOM 454 CE LYS A 29 6.474 -8.146 7.595 1.00 0.00 C ATOM 455 NZ LYS A 29 7.788 -7.904 8.218 1.00 0.00 N ATOM 0 H LYS A 29 4.888 -2.423 6.011 1.00 0.00 H new ATOM 0 HA LYS A 29 4.435 -5.071 5.422 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.269 -4.168 6.803 1.00 0.00 H new ATOM 0 HB3 LYS A 29 5.133 -3.713 8.058 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.245 -5.760 8.723 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.561 -6.121 8.399 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.070 -7.159 6.291 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.683 -6.476 6.248 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.769 -8.484 8.355 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.562 -8.948 6.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 8.239 -8.814 8.442 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 8.392 -7.372 7.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.662 -7.355 9.092 1.00 0.00 H new ATOM 469 N LEU A 30 2.434 -4.213 7.922 1.00 0.00 N ATOM 470 CA LEU A 30 1.164 -4.537 8.561 1.00 0.00 C ATOM 471 C LEU A 30 0.016 -4.522 7.543 1.00 0.00 C ATOM 472 O LEU A 30 -0.800 -5.443 7.524 1.00 0.00 O ATOM 473 CB LEU A 30 0.833 -3.648 9.774 1.00 0.00 C ATOM 474 CG LEU A 30 1.657 -2.377 10.026 1.00 0.00 C ATOM 475 CD1 LEU A 30 0.852 -1.430 10.923 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.982 -2.678 10.732 1.00 0.00 C ATOM 0 H LEU A 30 2.951 -3.463 8.381 1.00 0.00 H new ATOM 0 HA LEU A 30 1.279 -5.548 8.953 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.211 -3.348 9.684 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.910 -4.270 10.666 1.00 0.00 H new ATOM 0 HG LEU A 30 1.873 -1.930 9.056 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.430 -0.524 11.107 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.084 -1.169 10.429 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.637 -1.922 11.871 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.530 -1.749 10.889 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.783 -3.149 11.695 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.578 -3.351 10.116 1.00 0.00 H new ATOM 488 N LEU A 31 -0.042 -3.484 6.704 1.00 0.00 N ATOM 489 CA LEU A 31 -1.067 -3.349 5.670 1.00 0.00 C ATOM 490 C LEU A 31 -1.161 -4.626 4.842 1.00 0.00 C ATOM 491 O LEU A 31 -2.214 -5.249 4.742 1.00 0.00 O ATOM 492 CB LEU A 31 -0.720 -2.176 4.742 1.00 0.00 C ATOM 493 CG LEU A 31 -1.938 -1.472 4.127 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.479 -0.523 3.025 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.019 -2.388 3.566 1.00 0.00 C ATOM 0 H LEU A 31 0.624 -2.712 6.724 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.025 -3.165 6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.138 -1.445 5.303 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.082 -2.542 3.937 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.403 -0.944 4.960 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.345 -0.025 2.590 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.804 0.223 3.445 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.959 -1.088 2.251 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.830 -1.786 3.158 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.596 -3.009 2.777 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.405 -3.025 4.362 1.00 0.00 H new ATOM 507 N LEU A 32 -0.032 -5.005 4.245 1.00 0.00 N ATOM 508 CA LEU A 32 0.083 -6.168 3.388 1.00 0.00 C ATOM 509 C LEU A 32 -0.367 -7.403 4.135 1.00 0.00 C ATOM 510 O LEU A 32 -1.219 -8.147 3.665 1.00 0.00 O ATOM 511 CB LEU A 32 1.532 -6.370 2.930 1.00 0.00 C ATOM 512 CG LEU A 32 2.035 -5.266 2.003 1.00 0.00 C ATOM 513 CD1 LEU A 32 3.565 -5.345 1.952 1.00 0.00 C ATOM 514 CD2 LEU A 32 1.453 -5.382 0.589 1.00 0.00 C ATOM 0 H LEU A 32 0.845 -4.495 4.351 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.548 -6.006 2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.178 -6.421 3.806 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.613 -7.329 2.418 1.00 0.00 H new ATOM 0 HG LEU A 32 1.708 -4.304 2.397 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.948 -4.564 1.295 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.970 -5.206 2.954 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.866 -6.321 1.571 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.841 -4.574 -0.032 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.737 -6.341 0.156 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.366 -5.313 0.636 1.00 0.00 H new ATOM 526 N GLN A 33 0.216 -7.616 5.308 1.00 0.00 N ATOM 527 CA GLN A 33 -0.055 -8.780 6.107 1.00 0.00 C ATOM 528 C GLN A 33 -1.544 -8.921 6.432 1.00 0.00 C ATOM 529 O GLN A 33 -2.098 -10.012 6.334 1.00 0.00 O ATOM 530 CB GLN A 33 0.792 -8.644 7.367 1.00 0.00 C ATOM 531 CG GLN A 33 2.255 -9.025 7.116 1.00 0.00 C ATOM 532 CD GLN A 33 3.044 -9.095 8.418 1.00 0.00 C ATOM 533 OE1 GLN A 33 3.734 -10.064 8.694 1.00 0.00 O ATOM 534 NE2 GLN A 33 2.969 -8.069 9.251 1.00 0.00 N ATOM 0 H GLN A 33 0.892 -6.976 5.724 1.00 0.00 H new ATOM 0 HA GLN A 33 0.203 -9.689 5.563 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.741 -7.617 7.729 1.00 0.00 H new ATOM 0 HB3 GLN A 33 0.381 -9.280 8.151 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.299 -9.989 6.610 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.714 -8.294 6.450 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.391 -7.262 9.016 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.489 -8.085 10.128 1.00 0.00 H new ATOM 543 N THR A 34 -2.183 -7.825 6.833 1.00 0.00 N ATOM 544 CA THR A 34 -3.579 -7.841 7.239 1.00 0.00 C ATOM 545 C THR A 34 -4.557 -7.871 6.060 1.00 0.00 C ATOM 546 O THR A 34 -5.471 -8.689 6.039 1.00 0.00 O ATOM 547 CB THR A 34 -3.847 -6.643 8.164 1.00 0.00 C ATOM 548 OG1 THR A 34 -2.804 -6.515 9.111 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.163 -6.816 8.929 1.00 0.00 C ATOM 0 H THR A 34 -1.746 -6.905 6.884 1.00 0.00 H new ATOM 0 HA THR A 34 -3.757 -8.771 7.778 1.00 0.00 H new ATOM 0 HB THR A 34 -3.905 -5.754 7.536 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.021 -6.110 8.683 1.00 0.00 H new ATOM 0 HG21 THR A 34 -5.325 -5.953 9.575 1.00 0.00 H new ATOM 0 HG22 THR A 34 -5.987 -6.899 8.221 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.115 -7.720 9.537 1.00 0.00 H new ATOM 557 N GLU A 35 -4.395 -6.965 5.091 1.00 0.00 N ATOM 558 CA GLU A 35 -5.325 -6.802 3.978 1.00 0.00 C ATOM 559 C GLU A 35 -4.961 -7.576 2.708 1.00 0.00 C ATOM 560 O GLU A 35 -5.851 -7.871 1.916 1.00 0.00 O ATOM 561 CB GLU A 35 -5.454 -5.308 3.643 1.00 0.00 C ATOM 562 CG GLU A 35 -5.668 -4.403 4.869 1.00 0.00 C ATOM 563 CD GLU A 35 -6.889 -4.756 5.711 1.00 0.00 C ATOM 564 OE1 GLU A 35 -7.907 -5.165 5.114 1.00 0.00 O ATOM 565 OE2 GLU A 35 -6.784 -4.574 6.944 1.00 0.00 O ATOM 0 H GLU A 35 -3.606 -6.320 5.060 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.270 -7.226 4.318 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.554 -4.985 3.120 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.288 -5.172 2.955 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.781 -4.452 5.500 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.762 -3.371 4.531 1.00 0.00 H new ATOM 572 N PHE A 36 -3.683 -7.894 2.484 1.00 0.00 N ATOM 573 CA PHE A 36 -3.228 -8.559 1.266 1.00 0.00 C ATOM 574 C PHE A 36 -2.321 -9.768 1.557 1.00 0.00 C ATOM 575 O PHE A 36 -1.255 -9.851 0.949 1.00 0.00 O ATOM 576 CB PHE A 36 -2.470 -7.504 0.434 1.00 0.00 C ATOM 577 CG PHE A 36 -3.248 -6.240 0.099 1.00 0.00 C ATOM 578 CD1 PHE A 36 -4.429 -6.328 -0.657 1.00 0.00 C ATOM 579 CD2 PHE A 36 -2.771 -4.972 0.486 1.00 0.00 C ATOM 580 CE1 PHE A 36 -5.109 -5.166 -1.052 1.00 0.00 C ATOM 581 CE2 PHE A 36 -3.454 -3.807 0.097 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.622 -3.903 -0.677 1.00 0.00 C ATOM 0 H PHE A 36 -2.934 -7.695 3.147 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.088 -8.954 0.725 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -1.569 -7.220 0.977 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.148 -7.967 -0.498 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -4.816 -7.297 -0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -1.876 -4.895 1.085 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.008 -5.243 -1.645 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -3.081 -2.838 0.393 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.144 -3.008 -0.983 1.00 0.00 H new ATOM 592 N PRO A 37 -2.700 -10.705 2.448 1.00 0.00 N ATOM 593 CA PRO A 37 -1.867 -11.838 2.851 1.00 0.00 C ATOM 594 C PRO A 37 -1.328 -12.685 1.693 1.00 0.00 C ATOM 595 O PRO A 37 -0.179 -13.109 1.728 1.00 0.00 O ATOM 596 CB PRO A 37 -2.704 -12.656 3.841 1.00 0.00 C ATOM 597 CG PRO A 37 -4.139 -12.194 3.590 1.00 0.00 C ATOM 598 CD PRO A 37 -3.957 -10.736 3.175 1.00 0.00 C ATOM 0 HA PRO A 37 -0.953 -11.465 3.312 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -2.594 -13.726 3.666 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -2.399 -12.468 4.871 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -4.622 -12.780 2.808 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.756 -12.286 4.484 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.783 -10.398 2.549 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.926 -10.079 4.044 1.00 0.00 H new ATOM 702 N THR A 45 9.384 -10.002 -0.689 1.00 0.00 N ATOM 703 CA THR A 45 10.133 -9.362 0.371 1.00 0.00 C ATOM 704 C THR A 45 9.672 -7.916 0.529 1.00 0.00 C ATOM 705 O THR A 45 9.475 -7.202 -0.454 1.00 0.00 O ATOM 706 CB THR A 45 11.625 -9.493 0.053 1.00 0.00 C ATOM 707 OG1 THR A 45 11.770 -9.527 -1.351 1.00 0.00 O ATOM 708 CG2 THR A 45 12.182 -10.805 0.613 1.00 0.00 C ATOM 0 HA THR A 45 9.955 -9.844 1.332 1.00 0.00 H new ATOM 0 HB THR A 45 12.161 -8.654 0.497 1.00 0.00 H new ATOM 0 HG1 THR A 45 12.673 -9.832 -1.579 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.243 -10.880 0.377 1.00 0.00 H new ATOM 0 HG22 THR A 45 12.049 -10.825 1.695 1.00 0.00 H new ATOM 0 HG23 THR A 45 11.651 -11.646 0.167 1.00 0.00 H new ATOM 716 N LEU A 46 9.500 -7.494 1.786 1.00 0.00 N ATOM 717 CA LEU A 46 9.035 -6.164 2.150 1.00 0.00 C ATOM 718 C LEU A 46 9.816 -5.101 1.391 1.00 0.00 C ATOM 719 O LEU A 46 9.222 -4.229 0.778 1.00 0.00 O ATOM 720 CB LEU A 46 9.164 -5.954 3.668 1.00 0.00 C ATOM 721 CG LEU A 46 8.779 -4.533 4.126 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.301 -4.225 3.848 1.00 0.00 C ATOM 723 CD2 LEU A 46 9.076 -4.375 5.622 1.00 0.00 C ATOM 0 H LEU A 46 9.687 -8.088 2.594 1.00 0.00 H new ATOM 0 HA LEU A 46 7.984 -6.073 1.877 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.531 -6.677 4.182 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.191 -6.159 3.969 1.00 0.00 H new ATOM 0 HG LEU A 46 9.376 -3.823 3.554 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.070 -3.215 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 46 7.108 -4.303 2.778 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.674 -4.938 4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.803 -3.370 5.943 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.498 -5.106 6.187 1.00 0.00 H new ATOM 0 HD23 LEU A 46 10.139 -4.537 5.801 1.00 0.00 H new ATOM 735 N ASP A 47 11.144 -5.184 1.446 1.00 0.00 N ATOM 736 CA ASP A 47 12.089 -4.272 0.829 1.00 0.00 C ATOM 737 C ASP A 47 11.765 -4.189 -0.653 1.00 0.00 C ATOM 738 O ASP A 47 11.370 -3.135 -1.121 1.00 0.00 O ATOM 739 CB ASP A 47 13.548 -4.735 1.017 1.00 0.00 C ATOM 740 CG ASP A 47 13.714 -6.232 1.269 1.00 0.00 C ATOM 741 OD1 ASP A 47 13.279 -6.683 2.353 1.00 0.00 O ATOM 742 OD2 ASP A 47 14.212 -6.909 0.347 1.00 0.00 O ATOM 0 H ASP A 47 11.610 -5.936 1.954 1.00 0.00 H new ATOM 0 HA ASP A 47 11.998 -3.297 1.307 1.00 0.00 H new ATOM 0 HB2 ASP A 47 14.118 -4.464 0.128 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.983 -4.189 1.854 1.00 0.00 H new ATOM 747 N GLU A 48 11.922 -5.293 -1.384 1.00 0.00 N ATOM 748 CA GLU A 48 11.660 -5.361 -2.815 1.00 0.00 C ATOM 749 C GLU A 48 10.308 -4.735 -3.170 1.00 0.00 C ATOM 750 O GLU A 48 10.214 -3.849 -4.018 1.00 0.00 O ATOM 751 CB GLU A 48 11.712 -6.829 -3.265 1.00 0.00 C ATOM 752 CG GLU A 48 13.125 -7.403 -3.098 1.00 0.00 C ATOM 753 CD GLU A 48 13.302 -8.768 -3.758 1.00 0.00 C ATOM 754 OE1 GLU A 48 12.915 -8.890 -4.940 1.00 0.00 O ATOM 755 OE2 GLU A 48 13.828 -9.666 -3.062 1.00 0.00 O ATOM 0 H GLU A 48 12.240 -6.178 -0.988 1.00 0.00 H new ATOM 0 HA GLU A 48 12.426 -4.789 -3.339 1.00 0.00 H new ATOM 0 HB2 GLU A 48 11.005 -7.418 -2.681 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.405 -6.905 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 48 13.846 -6.705 -3.523 1.00 0.00 H new ATOM 0 HG3 GLU A 48 13.352 -7.488 -2.035 1.00 0.00 H new ATOM 762 N LEU A 49 9.254 -5.209 -2.511 1.00 0.00 N ATOM 763 CA LEU A 49 7.899 -4.761 -2.761 1.00 0.00 C ATOM 764 C LEU A 49 7.732 -3.266 -2.484 1.00 0.00 C ATOM 765 O LEU A 49 7.347 -2.506 -3.369 1.00 0.00 O ATOM 766 CB LEU A 49 6.954 -5.656 -1.954 1.00 0.00 C ATOM 767 CG LEU A 49 5.505 -5.175 -1.972 1.00 0.00 C ATOM 768 CD1 LEU A 49 4.950 -5.025 -3.396 1.00 0.00 C ATOM 769 CD2 LEU A 49 4.642 -6.191 -1.224 1.00 0.00 C ATOM 0 H LEU A 49 9.324 -5.921 -1.784 1.00 0.00 H new ATOM 0 HA LEU A 49 7.648 -4.861 -3.817 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.998 -6.670 -2.351 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.301 -5.702 -0.922 1.00 0.00 H new ATOM 0 HG LEU A 49 5.479 -4.194 -1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.917 -4.681 -3.349 1.00 0.00 H new ATOM 0 HD12 LEU A 49 5.550 -4.300 -3.946 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.989 -5.988 -3.905 1.00 0.00 H new ATOM 0 HD21 LEU A 49 3.604 -5.860 -1.229 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.716 -7.162 -1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.991 -6.277 -0.195 1.00 0.00 H new ATOM 781 N PHE A 50 8.026 -2.823 -1.265 1.00 0.00 N ATOM 782 CA PHE A 50 7.941 -1.433 -0.878 1.00 0.00 C ATOM 783 C PHE A 50 8.804 -0.602 -1.821 1.00 0.00 C ATOM 784 O PHE A 50 8.413 0.499 -2.175 1.00 0.00 O ATOM 785 CB PHE A 50 8.420 -1.294 0.570 1.00 0.00 C ATOM 786 CG PHE A 50 8.818 0.111 0.925 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.842 1.070 1.226 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.147 0.499 0.703 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.219 2.412 1.398 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.521 1.846 0.838 1.00 0.00 C ATOM 791 CZ PHE A 50 9.558 2.798 1.219 1.00 0.00 C ATOM 0 H PHE A 50 8.335 -3.437 -0.511 1.00 0.00 H new ATOM 0 HA PHE A 50 6.913 -1.076 -0.943 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.627 -1.622 1.242 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.269 -1.958 0.731 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.807 0.779 1.325 1.00 0.00 H new ATOM 0 HD2 PHE A 50 10.885 -0.240 0.427 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.478 3.149 1.669 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.541 2.149 0.651 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.848 3.827 1.374 1.00 0.00 H new ATOM 801 N GLU A 51 9.967 -1.105 -2.235 1.00 0.00 N ATOM 802 CA GLU A 51 10.829 -0.350 -3.139 1.00 0.00 C ATOM 803 C GLU A 51 10.151 -0.176 -4.495 1.00 0.00 C ATOM 804 O GLU A 51 10.180 0.919 -5.048 1.00 0.00 O ATOM 805 CB GLU A 51 12.213 -0.995 -3.278 1.00 0.00 C ATOM 806 CG GLU A 51 13.092 -0.708 -2.054 1.00 0.00 C ATOM 807 CD GLU A 51 14.407 -1.476 -2.130 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.397 -2.663 -1.740 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.398 -0.863 -2.581 1.00 0.00 O ATOM 0 H GLU A 51 10.329 -2.019 -1.963 1.00 0.00 H new ATOM 0 HA GLU A 51 10.988 0.638 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.103 -2.072 -3.404 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.703 -0.618 -4.176 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.295 0.361 -1.991 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.557 -0.985 -1.145 1.00 0.00 H new ATOM 816 N GLU A 52 9.525 -1.232 -5.024 1.00 0.00 N ATOM 817 CA GLU A 52 8.797 -1.134 -6.284 1.00 0.00 C ATOM 818 C GLU A 52 7.722 -0.059 -6.109 1.00 0.00 C ATOM 819 O GLU A 52 7.515 0.802 -6.960 1.00 0.00 O ATOM 820 CB GLU A 52 8.174 -2.503 -6.608 1.00 0.00 C ATOM 821 CG GLU A 52 7.042 -2.439 -7.644 1.00 0.00 C ATOM 822 CD GLU A 52 6.436 -3.821 -7.876 1.00 0.00 C ATOM 823 OE1 GLU A 52 5.784 -4.320 -6.932 1.00 0.00 O ATOM 824 OE2 GLU A 52 6.637 -4.359 -8.985 1.00 0.00 O ATOM 0 H GLU A 52 9.510 -2.159 -4.598 1.00 0.00 H new ATOM 0 HA GLU A 52 9.452 -0.860 -7.111 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.954 -3.169 -6.977 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.788 -2.943 -5.688 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.269 -1.751 -7.301 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.426 -2.044 -8.584 1.00 0.00 H new ATOM 831 N LEU A 53 7.030 -0.149 -4.979 1.00 0.00 N ATOM 832 CA LEU A 53 5.945 0.728 -4.602 1.00 0.00 C ATOM 833 C LEU A 53 6.365 2.179 -4.348 1.00 0.00 C ATOM 834 O LEU A 53 5.616 3.081 -4.709 1.00 0.00 O ATOM 835 CB LEU A 53 5.267 0.123 -3.370 1.00 0.00 C ATOM 836 CG LEU A 53 4.193 -0.887 -3.787 1.00 0.00 C ATOM 837 CD1 LEU A 53 3.908 -1.784 -2.587 1.00 0.00 C ATOM 838 CD2 LEU A 53 2.902 -0.194 -4.240 1.00 0.00 C ATOM 0 H LEU A 53 7.222 -0.865 -4.278 1.00 0.00 H new ATOM 0 HA LEU A 53 5.255 0.793 -5.443 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.011 -0.368 -2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.817 0.914 -2.771 1.00 0.00 H new ATOM 0 HG LEU A 53 4.557 -1.468 -4.635 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.145 -2.516 -2.853 1.00 0.00 H new ATOM 0 HD12 LEU A 53 4.822 -2.302 -2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.553 -1.176 -1.755 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.167 -0.946 -4.527 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.506 0.407 -3.422 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.115 0.450 -5.094 1.00 0.00 H new ATOM 850 N ASP A 54 7.520 2.450 -3.735 1.00 0.00 N ATOM 851 CA ASP A 54 7.949 3.810 -3.428 1.00 0.00 C ATOM 852 C ASP A 54 8.514 4.455 -4.693 1.00 0.00 C ATOM 853 O ASP A 54 9.691 4.797 -4.757 1.00 0.00 O ATOM 854 CB ASP A 54 8.940 3.817 -2.247 1.00 0.00 C ATOM 855 CG ASP A 54 9.287 5.236 -1.771 1.00 0.00 C ATOM 856 OD1 ASP A 54 8.792 6.204 -2.388 1.00 0.00 O ATOM 857 OD2 ASP A 54 10.065 5.352 -0.796 1.00 0.00 O ATOM 0 H ASP A 54 8.181 1.731 -3.439 1.00 0.00 H new ATOM 0 HA ASP A 54 7.098 4.409 -3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.513 3.254 -1.417 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.855 3.304 -2.543 1.00 0.00 H new ATOM 862 N LYS A 55 7.653 4.632 -5.697 1.00 0.00 N ATOM 863 CA LYS A 55 7.962 5.225 -6.988 1.00 0.00 C ATOM 864 C LYS A 55 8.689 6.560 -6.816 1.00 0.00 C ATOM 865 O LYS A 55 9.629 6.862 -7.545 1.00 0.00 O ATOM 866 CB LYS A 55 6.631 5.401 -7.731 1.00 0.00 C ATOM 867 CG LYS A 55 6.792 5.942 -9.155 1.00 0.00 C ATOM 868 CD LYS A 55 5.425 6.031 -9.851 1.00 0.00 C ATOM 869 CE LYS A 55 4.417 6.962 -9.156 1.00 0.00 C ATOM 870 NZ LYS A 55 4.978 8.298 -8.889 1.00 0.00 N ATOM 0 H LYS A 55 6.676 4.350 -5.622 1.00 0.00 H new ATOM 0 HA LYS A 55 8.632 4.583 -7.560 1.00 0.00 H new ATOM 0 HB2 LYS A 55 6.117 4.441 -7.772 1.00 0.00 H new ATOM 0 HB3 LYS A 55 5.994 6.079 -7.163 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.258 6.927 -9.126 1.00 0.00 H new ATOM 0 HG3 LYS A 55 7.456 5.292 -9.725 1.00 0.00 H new ATOM 0 HD2 LYS A 55 5.574 6.376 -10.874 1.00 0.00 H new ATOM 0 HD3 LYS A 55 4.996 5.031 -9.911 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.529 7.062 -9.780 1.00 0.00 H new ATOM 0 HE3 LYS A 55 4.098 6.511 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.233 8.919 -8.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.746 8.219 -8.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.352 8.700 -9.772 1.00 0.00 H new ATOM 884 N ASN A 56 8.240 7.361 -5.850 1.00 0.00 N ATOM 885 CA ASN A 56 8.814 8.666 -5.564 1.00 0.00 C ATOM 886 C ASN A 56 10.179 8.559 -4.872 1.00 0.00 C ATOM 887 O ASN A 56 10.963 9.500 -4.930 1.00 0.00 O ATOM 888 CB ASN A 56 7.819 9.462 -4.716 1.00 0.00 C ATOM 889 CG ASN A 56 8.251 10.913 -4.530 1.00 0.00 C ATOM 890 OD1 ASN A 56 8.599 11.603 -5.476 1.00 0.00 O ATOM 891 ND2 ASN A 56 8.222 11.416 -3.306 1.00 0.00 N ATOM 0 H ASN A 56 7.460 7.115 -5.241 1.00 0.00 H new ATOM 0 HA ASN A 56 8.994 9.186 -6.505 1.00 0.00 H new ATOM 0 HB2 ASN A 56 6.838 9.435 -5.190 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.715 8.988 -3.740 1.00 0.00 H new ATOM 0 HD21 ASN A 56 8.492 12.387 -3.147 1.00 0.00 H new ATOM 0 HD22 ASN A 56 7.930 10.833 -2.522 1.00 0.00 H new ATOM 898 N GLY A 57 10.479 7.431 -4.218 1.00 0.00 N ATOM 899 CA GLY A 57 11.738 7.197 -3.528 1.00 0.00 C ATOM 900 C GLY A 57 11.939 8.232 -2.427 1.00 0.00 C ATOM 901 O GLY A 57 12.883 9.014 -2.489 1.00 0.00 O ATOM 0 H GLY A 57 9.835 6.643 -4.157 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.745 6.195 -3.100 1.00 0.00 H new ATOM 0 HA3 GLY A 57 12.564 7.246 -4.238 1.00 0.00 H new ATOM 905 N ASP A 58 11.054 8.239 -1.423 1.00 0.00 N ATOM 906 CA ASP A 58 11.111 9.226 -0.342 1.00 0.00 C ATOM 907 C ASP A 58 11.190 8.611 1.050 1.00 0.00 C ATOM 908 O ASP A 58 11.519 9.319 1.996 1.00 0.00 O ATOM 909 CB ASP A 58 9.936 10.210 -0.446 1.00 0.00 C ATOM 910 CG ASP A 58 8.564 9.565 -0.255 1.00 0.00 C ATOM 911 OD1 ASP A 58 8.324 9.030 0.848 1.00 0.00 O ATOM 912 OD2 ASP A 58 7.766 9.646 -1.214 1.00 0.00 O ATOM 0 H ASP A 58 10.289 7.570 -1.338 1.00 0.00 H new ATOM 0 HA ASP A 58 12.046 9.769 -0.476 1.00 0.00 H new ATOM 0 HB2 ASP A 58 10.065 10.993 0.301 1.00 0.00 H new ATOM 0 HB3 ASP A 58 9.966 10.693 -1.423 1.00 0.00 H new ATOM 917 N GLY A 59 10.890 7.318 1.189 1.00 0.00 N ATOM 918 CA GLY A 59 10.895 6.652 2.485 1.00 0.00 C ATOM 919 C GLY A 59 9.529 6.032 2.752 1.00 0.00 C ATOM 920 O GLY A 59 9.432 5.067 3.512 1.00 0.00 O ATOM 0 H GLY A 59 10.639 6.710 0.410 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.665 5.881 2.505 1.00 0.00 H new ATOM 0 HA3 GLY A 59 11.140 7.367 3.271 1.00 0.00 H new ATOM 924 N GLU A 60 8.473 6.564 2.129 1.00 0.00 N ATOM 925 CA GLU A 60 7.137 6.037 2.238 1.00 0.00 C ATOM 926 C GLU A 60 6.526 5.888 0.841 1.00 0.00 C ATOM 927 O GLU A 60 7.038 6.415 -0.139 1.00 0.00 O ATOM 928 CB GLU A 60 6.288 7.006 3.057 1.00 0.00 C ATOM 929 CG GLU A 60 6.937 7.554 4.338 1.00 0.00 C ATOM 930 CD GLU A 60 7.572 8.925 4.117 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.790 9.898 4.017 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.819 8.974 4.060 1.00 0.00 O ATOM 0 H GLU A 60 8.539 7.386 1.529 1.00 0.00 H new ATOM 0 HA GLU A 60 7.167 5.062 2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.019 7.849 2.421 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.360 6.503 3.330 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.185 7.625 5.123 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.697 6.855 4.687 1.00 0.00 H new ATOM 939 N VAL A 61 5.399 5.188 0.784 1.00 0.00 N ATOM 940 CA VAL A 61 4.546 4.963 -0.371 1.00 0.00 C ATOM 941 C VAL A 61 3.424 5.989 -0.172 1.00 0.00 C ATOM 942 O VAL A 61 3.381 6.656 0.857 1.00 0.00 O ATOM 943 CB VAL A 61 4.013 3.505 -0.359 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.282 3.096 -1.646 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.156 2.511 -0.144 1.00 0.00 C ATOM 0 H VAL A 61 5.030 4.726 1.615 1.00 0.00 H new ATOM 0 HA VAL A 61 5.049 5.082 -1.331 1.00 0.00 H new ATOM 0 HB VAL A 61 3.297 3.478 0.463 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.941 2.065 -1.558 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.424 3.750 -1.801 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.962 3.182 -2.494 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.759 1.496 -0.139 1.00 0.00 H new ATOM 0 HG22 VAL A 61 5.883 2.613 -0.950 1.00 0.00 H new ATOM 0 HG23 VAL A 61 5.641 2.715 0.810 1.00 0.00 H new ATOM 955 N SER A 62 2.489 6.136 -1.101 1.00 0.00 N ATOM 956 CA SER A 62 1.355 7.034 -0.952 1.00 0.00 C ATOM 957 C SER A 62 0.240 6.480 -1.819 1.00 0.00 C ATOM 958 O SER A 62 0.487 5.568 -2.612 1.00 0.00 O ATOM 959 CB SER A 62 1.702 8.479 -1.323 1.00 0.00 C ATOM 960 OG SER A 62 1.989 8.572 -2.700 1.00 0.00 O ATOM 0 H SER A 62 2.498 5.630 -1.987 1.00 0.00 H new ATOM 0 HA SER A 62 1.046 7.079 0.092 1.00 0.00 H new ATOM 0 HB2 SER A 62 0.870 9.137 -1.072 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.560 8.815 -0.742 1.00 0.00 H new ATOM 0 HG SER A 62 2.208 9.500 -2.927 1.00 0.00 H new ATOM 966 N PHE A 63 -0.973 7.015 -1.678 1.00 0.00 N ATOM 967 CA PHE A 63 -2.103 6.566 -2.476 1.00 0.00 C ATOM 968 C PHE A 63 -1.744 6.576 -3.962 1.00 0.00 C ATOM 969 O PHE A 63 -2.118 5.657 -4.684 1.00 0.00 O ATOM 970 CB PHE A 63 -3.367 7.330 -2.110 1.00 0.00 C ATOM 971 CG PHE A 63 -4.588 6.946 -2.923 1.00 0.00 C ATOM 972 CD1 PHE A 63 -5.362 5.845 -2.517 1.00 0.00 C ATOM 973 CD2 PHE A 63 -4.851 7.561 -4.163 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.478 5.449 -3.274 1.00 0.00 C ATOM 975 CE2 PHE A 63 -5.924 7.114 -4.955 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.800 6.131 -4.458 1.00 0.00 C ATOM 0 H PHE A 63 -1.193 7.760 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.333 5.526 -2.243 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.583 7.167 -1.054 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -3.182 8.397 -2.237 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -5.098 5.302 -1.621 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.229 8.375 -4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.088 4.620 -2.945 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.075 7.524 -5.943 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.715 5.903 -4.985 1.00 0.00 H new ATOM 986 N GLU A 64 -0.988 7.593 -4.394 1.00 0.00 N ATOM 987 CA GLU A 64 -0.505 7.765 -5.757 1.00 0.00 C ATOM 988 C GLU A 64 0.093 6.448 -6.271 1.00 0.00 C ATOM 989 O GLU A 64 -0.508 5.747 -7.081 1.00 0.00 O ATOM 990 CB GLU A 64 0.524 8.914 -5.769 1.00 0.00 C ATOM 991 CG GLU A 64 0.826 9.380 -7.199 1.00 0.00 C ATOM 992 CD GLU A 64 1.940 10.421 -7.222 1.00 0.00 C ATOM 993 OE1 GLU A 64 1.720 11.500 -6.630 1.00 0.00 O ATOM 994 OE2 GLU A 64 2.989 10.119 -7.829 1.00 0.00 O ATOM 0 H GLU A 64 -0.688 8.345 -3.774 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.324 8.026 -6.427 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.143 9.752 -5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.446 8.584 -5.290 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.114 8.524 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -0.076 9.800 -7.644 1.00 0.00 H new ATOM 1001 N GLU A 65 1.286 6.108 -5.782 1.00 0.00 N ATOM 1002 CA GLU A 65 1.990 4.887 -6.144 1.00 0.00 C ATOM 1003 C GLU A 65 1.106 3.676 -5.866 1.00 0.00 C ATOM 1004 O GLU A 65 1.049 2.748 -6.667 1.00 0.00 O ATOM 1005 CB GLU A 65 3.306 4.707 -5.370 1.00 0.00 C ATOM 1006 CG GLU A 65 3.687 5.758 -4.321 1.00 0.00 C ATOM 1007 CD GLU A 65 4.500 6.906 -4.905 1.00 0.00 C ATOM 1008 OE1 GLU A 65 3.873 7.760 -5.566 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.731 6.906 -4.679 1.00 0.00 O ATOM 0 H GLU A 65 1.795 6.686 -5.113 1.00 0.00 H new ATOM 0 HA GLU A 65 2.226 4.969 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.267 3.739 -4.870 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.115 4.657 -6.099 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.780 6.156 -3.866 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.260 5.280 -3.526 1.00 0.00 H new ATOM 1016 N PHE A 66 0.422 3.680 -4.717 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.447 2.581 -4.327 1.00 0.00 C ATOM 1018 C PHE A 66 -1.461 2.221 -5.424 1.00 0.00 C ATOM 1019 O PHE A 66 -1.884 1.067 -5.485 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.083 2.898 -2.973 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.198 1.980 -2.531 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -1.929 0.640 -2.205 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -3.517 2.465 -2.474 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -2.991 -0.234 -1.912 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -4.561 1.614 -2.082 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.302 0.260 -1.813 1.00 0.00 C ATOM 0 H PHE A 66 0.459 4.442 -4.040 1.00 0.00 H new ATOM 0 HA PHE A 66 0.147 1.675 -4.207 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.301 2.878 -2.214 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.470 3.917 -3.006 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -0.910 0.283 -2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -3.726 3.493 -2.732 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -2.798 -1.286 -1.763 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -5.565 2.000 -1.987 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.109 -0.400 -1.531 1.00 0.00 H new ATOM 1036 N GLN A 67 -1.839 3.147 -6.323 1.00 0.00 N ATOM 1037 CA GLN A 67 -2.735 2.778 -7.419 1.00 0.00 C ATOM 1038 C GLN A 67 -2.183 1.610 -8.246 1.00 0.00 C ATOM 1039 O GLN A 67 -2.948 0.832 -8.811 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.228 3.968 -8.261 1.00 0.00 C ATOM 1041 CG GLN A 67 -3.829 5.104 -7.435 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.860 4.538 -6.471 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -6.010 4.308 -6.823 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.460 4.289 -5.239 1.00 0.00 N ATOM 0 H GLN A 67 -1.546 4.124 -6.311 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.646 2.409 -6.948 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.394 4.358 -8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -3.975 3.613 -8.971 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -3.044 5.621 -6.883 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -4.294 5.839 -8.092 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.498 4.488 -4.965 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -5.113 3.898 -4.560 1.00 0.00 H new ATOM 1053 N VAL A 68 -0.857 1.445 -8.287 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.250 0.308 -8.958 1.00 0.00 C ATOM 1055 C VAL A 68 -0.769 -0.965 -8.279 1.00 0.00 C ATOM 1056 O VAL A 68 -1.182 -1.895 -8.958 1.00 0.00 O ATOM 1057 CB VAL A 68 1.285 0.410 -8.923 1.00 0.00 C ATOM 1058 CG1 VAL A 68 1.940 -0.832 -9.542 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.762 1.647 -9.697 1.00 0.00 C ATOM 0 H VAL A 68 -0.190 2.088 -7.861 1.00 0.00 H new ATOM 0 HA VAL A 68 -0.524 0.287 -10.013 1.00 0.00 H new ATOM 0 HB VAL A 68 1.578 0.489 -7.876 1.00 0.00 H new ATOM 0 HG11 VAL A 68 3.024 -0.729 -9.502 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.639 -1.719 -8.984 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.623 -0.931 -10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.850 1.702 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 68 1.437 1.575 -10.735 1.00 0.00 H new ATOM 0 HG23 VAL A 68 1.338 2.544 -9.246 1.00 0.00 H new ATOM 1069 N LEU A 69 -0.783 -1.000 -6.944 1.00 0.00 N ATOM 1070 CA LEU A 69 -1.266 -2.127 -6.151 1.00 0.00 C ATOM 1071 C LEU A 69 -2.766 -2.291 -6.432 1.00 0.00 C ATOM 1072 O LEU A 69 -3.224 -3.400 -6.700 1.00 0.00 O ATOM 1073 CB LEU A 69 -0.976 -1.838 -4.665 1.00 0.00 C ATOM 1074 CG LEU A 69 -0.818 -3.045 -3.722 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -2.052 -3.948 -3.705 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.429 -3.877 -4.043 1.00 0.00 C ATOM 0 H LEU A 69 -0.449 -0.224 -6.373 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.765 -3.059 -6.411 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.062 -1.247 -4.610 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -1.783 -1.214 -4.280 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.700 -2.616 -2.727 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.883 -4.782 -3.023 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -2.917 -3.375 -3.371 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.236 -4.331 -4.709 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.495 -4.716 -3.350 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.362 -4.254 -5.064 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.318 -3.254 -3.944 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.525 -1.186 -6.395 1.00 0.00 N ATOM 1089 CA VAL A 70 -4.960 -1.189 -6.705 1.00 0.00 C ATOM 1090 C VAL A 70 -5.209 -1.878 -8.052 1.00 0.00 C ATOM 1091 O VAL A 70 -6.178 -2.614 -8.201 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.561 0.228 -6.679 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -7.034 0.240 -7.116 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.451 0.838 -5.276 1.00 0.00 C ATOM 0 H VAL A 70 -3.160 -0.266 -6.149 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.469 -1.756 -5.926 1.00 0.00 H new ATOM 0 HB VAL A 70 -4.987 0.824 -7.389 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.415 1.261 -7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.115 -0.144 -8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -7.618 -0.388 -6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -5.882 1.839 -5.280 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -5.991 0.214 -4.564 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.402 0.895 -4.985 1.00 0.00 H new ATOM 1104 N LYS A 71 -4.346 -1.662 -9.044 1.00 0.00 N ATOM 1105 CA LYS A 71 -4.480 -2.365 -10.309 1.00 0.00 C ATOM 1106 C LYS A 71 -4.055 -3.828 -10.109 1.00 0.00 C ATOM 1107 O LYS A 71 -4.755 -4.756 -10.514 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.631 -1.668 -11.383 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.761 -2.358 -12.750 1.00 0.00 C ATOM 1110 CD LYS A 71 -2.893 -1.639 -13.791 1.00 0.00 C ATOM 1111 CE LYS A 71 -2.981 -2.312 -15.166 1.00 0.00 C ATOM 1112 NZ LYS A 71 -2.430 -3.680 -15.151 1.00 0.00 N ATOM 0 H LYS A 71 -3.559 -1.015 -8.994 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.516 -2.348 -10.648 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.940 -0.626 -11.471 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.585 -1.666 -11.075 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.456 -3.401 -12.669 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.803 -2.354 -13.070 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.210 -0.600 -13.874 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.856 -1.630 -13.456 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.022 -2.345 -15.487 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.440 -1.712 -15.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.353 -4.034 -16.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.488 -3.670 -14.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.060 -4.302 -14.606 1.00 0.00 H new ATOM 1126 N LYS A 72 -2.889 -4.035 -9.492 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.272 -5.334 -9.298 1.00 0.00 C ATOM 1128 C LYS A 72 -3.127 -6.376 -8.585 1.00 0.00 C ATOM 1129 O LYS A 72 -3.020 -7.574 -8.840 1.00 0.00 O ATOM 1130 CB LYS A 72 -0.829 -5.206 -8.812 1.00 0.00 C ATOM 1131 CG LYS A 72 -0.443 -5.969 -7.545 1.00 0.00 C ATOM 1132 CD LYS A 72 -0.019 -7.383 -7.950 1.00 0.00 C ATOM 1133 CE LYS A 72 -0.015 -8.335 -6.750 1.00 0.00 C ATOM 1134 NZ LYS A 72 -1.374 -8.586 -6.239 1.00 0.00 N ATOM 0 H LYS A 72 -2.336 -3.271 -9.103 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.209 -5.783 -10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -0.172 -5.536 -9.617 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.622 -4.149 -8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 72 0.371 -5.461 -7.028 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -1.284 -6.008 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -0.698 -7.762 -8.714 1.00 0.00 H new ATOM 0 HD3 LYS A 72 0.976 -7.352 -8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.444 -9.281 -7.039 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.599 -7.913 -5.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.484 -9.598 -6.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.527 -8.032 -5.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.072 -8.305 -6.957 1.00 0.00 H new ATOM 1148 N ILE A 73 -4.007 -5.943 -7.696 1.00 0.00 N ATOM 1149 CA ILE A 73 -4.909 -6.892 -7.042 1.00 0.00 C ATOM 1150 C ILE A 73 -5.763 -7.610 -8.098 1.00 0.00 C ATOM 1151 O ILE A 73 -6.175 -8.744 -7.881 1.00 0.00 O ATOM 1152 CB ILE A 73 -5.809 -6.227 -5.999 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.415 -4.934 -6.539 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -5.043 -5.954 -4.700 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -7.771 -4.630 -5.919 1.00 0.00 C ATOM 0 H ILE A 73 -4.119 -4.970 -7.413 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.289 -7.615 -6.511 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.621 -6.920 -5.778 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.734 -4.106 -6.342 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.521 -5.009 -7.621 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.708 -5.481 -3.978 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.673 -6.894 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.202 -5.292 -4.906 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.161 -3.701 -6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.462 -5.444 -6.138 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.663 -4.527 -4.839 1.00 0.00 H new ATOM 1167 N SER A 74 -5.987 -6.981 -9.256 1.00 0.00 N ATOM 1168 CA SER A 74 -6.703 -7.565 -10.379 1.00 0.00 C ATOM 1169 C SER A 74 -5.645 -8.009 -11.393 1.00 0.00 C ATOM 1170 O SER A 74 -5.832 -7.886 -12.600 1.00 0.00 O ATOM 1171 CB SER A 74 -7.650 -6.520 -10.979 1.00 0.00 C ATOM 1172 OG SER A 74 -8.524 -6.033 -9.978 1.00 0.00 O ATOM 0 H SER A 74 -5.665 -6.030 -9.436 1.00 0.00 H new ATOM 0 HA SER A 74 -7.311 -8.418 -10.076 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.075 -5.697 -11.405 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.225 -6.962 -11.793 1.00 0.00 H new ATOM 0 HG SER A 74 -9.126 -5.364 -10.366 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.502 -8.493 -10.899 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.356 -8.919 -11.685 1.00 0.00 C ATOM 1180 C GLN A 75 -2.687 -10.114 -11.005 1.00 0.00 C ATOM 1181 O GLN A 75 -1.462 -10.220 -10.964 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.412 -7.710 -11.810 1.00 0.00 C ATOM 1183 CG GLN A 75 -1.622 -7.686 -13.114 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.413 -7.090 -14.284 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -1.840 -6.738 -15.304 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -3.729 -6.938 -14.187 1.00 0.00 N ATOM 0 H GLN A 75 -4.350 -8.601 -9.896 1.00 0.00 H new ATOM 0 HA GLN A 75 -3.646 -9.247 -12.683 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -2.997 -6.793 -11.732 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.715 -7.716 -10.972 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -0.709 -7.108 -12.968 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.319 -8.702 -13.368 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.215 -7.229 -13.339 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.254 -6.530 -14.961 1.00 0.00 H new