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 74 SER OG : rot -66:sc= 1.23 USER MOD Set 1.2: A 75 GLN : amide:sc= -1.05 K(o=0.18,f=1.1) USER MOD Set 2.1: A 21 ASN : amide:sc= 1.02 K(o=3.2,f=1.8) USER MOD Set 2.2: A 22 GLN : amide:sc= 2.16 K(o=3.2,f=1.8) USER MOD Set 3.1: A 13 TYR OH : rot 147:sc= 0.613 USER MOD Set 3.2: A 34 THR OG1 : rot 65:sc= 2 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -121:sc= 0.689 (180deg=0.0749) USER MOD Single : A 16 LYS NZ :NH3+ 144:sc= 0.707 (180deg=0.0772) USER MOD Single : A 24 SER OG : rot -167:sc= 1.68 USER MOD Single : A 25 LYS NZ :NH3+ -114:sc= 0.609 (180deg=-1.05) USER MOD Single : A 29 LYS NZ :NH3+ -172:sc= -0.0063 (180deg=-0.103) USER MOD Single : A 33 GLN : amide:sc= -0.102 K(o=-0.1,f=-2.8!) USER MOD Single : A 45 THR OG1 : rot 142:sc= 0.257 USER MOD Single : A 55 LYS NZ :NH3+ -170:sc= 0.512 (180deg=0.421) USER MOD Single : A 56 ASN : amide:sc= 0.287 K(o=0.29,f=-0.32) USER MOD Single : A 62 SER OG : rot 180:sc= -0.0289 USER MOD Single : A 67 GLN : amide:sc= 2.15 K(o=2.2,f=-0.1) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.026) USER MOD ----------------------------------------------------------------- ATOM 36 N PRO A 3 -12.323 2.228 -6.083 1.00 0.00 N ATOM 37 CA PRO A 3 -11.025 2.683 -5.599 1.00 0.00 C ATOM 38 C PRO A 3 -11.121 3.333 -4.218 1.00 0.00 C ATOM 39 O PRO A 3 -10.227 3.167 -3.398 1.00 0.00 O ATOM 40 CB PRO A 3 -10.511 3.670 -6.650 1.00 0.00 C ATOM 41 CG PRO A 3 -11.150 3.150 -7.935 1.00 0.00 C ATOM 42 CD PRO A 3 -12.519 2.663 -7.460 1.00 0.00 C ATOM 0 HA PRO A 3 -10.341 1.844 -5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -10.817 4.693 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -9.423 3.669 -6.709 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -11.238 3.933 -8.688 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -10.566 2.344 -8.380 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -13.260 3.460 -7.518 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -12.882 1.845 -8.082 1.00 0.00 H new ATOM 50 N GLU A 4 -12.219 4.051 -3.960 1.00 0.00 N ATOM 51 CA GLU A 4 -12.555 4.719 -2.726 1.00 0.00 C ATOM 52 C GLU A 4 -12.347 3.786 -1.528 1.00 0.00 C ATOM 53 O GLU A 4 -11.823 4.186 -0.491 1.00 0.00 O ATOM 54 CB GLU A 4 -14.036 5.083 -2.844 1.00 0.00 C ATOM 55 CG GLU A 4 -14.380 6.055 -3.985 1.00 0.00 C ATOM 56 CD GLU A 4 -15.893 6.189 -4.135 1.00 0.00 C ATOM 57 OE1 GLU A 4 -16.517 5.155 -4.466 1.00 0.00 O ATOM 58 OE2 GLU A 4 -16.395 7.311 -3.915 1.00 0.00 O ATOM 0 H GLU A 4 -12.941 4.182 -4.669 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.925 5.595 -2.568 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -14.609 4.167 -2.983 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -14.362 5.523 -1.902 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -13.941 7.032 -3.783 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -13.946 5.697 -4.919 1.00 0.00 H new ATOM 65 N GLU A 5 -12.758 2.525 -1.675 1.00 0.00 N ATOM 66 CA GLU A 5 -12.620 1.538 -0.621 1.00 0.00 C ATOM 67 C GLU A 5 -11.143 1.311 -0.279 1.00 0.00 C ATOM 68 O GLU A 5 -10.762 1.250 0.888 1.00 0.00 O ATOM 69 CB GLU A 5 -13.427 0.269 -0.976 1.00 0.00 C ATOM 70 CG GLU A 5 -12.574 -0.974 -1.267 1.00 0.00 C ATOM 71 CD GLU A 5 -13.402 -2.242 -1.439 1.00 0.00 C ATOM 72 OE1 GLU A 5 -14.304 -2.459 -0.603 1.00 0.00 O ATOM 73 OE2 GLU A 5 -13.111 -2.977 -2.408 1.00 0.00 O ATOM 0 H GLU A 5 -13.193 2.168 -2.526 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.058 1.904 0.308 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -14.104 0.043 -0.152 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -14.046 0.481 -1.848 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -11.991 -0.803 -2.172 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -11.864 -1.119 -0.453 1.00 0.00 H new ATOM 80 N LEU A 6 -10.297 1.203 -1.304 1.00 0.00 N ATOM 81 CA LEU A 6 -8.883 0.917 -1.124 1.00 0.00 C ATOM 82 C LEU A 6 -8.165 2.190 -0.692 1.00 0.00 C ATOM 83 O LEU A 6 -7.211 2.128 0.073 1.00 0.00 O ATOM 84 CB LEU A 6 -8.319 0.241 -2.374 1.00 0.00 C ATOM 85 CG LEU A 6 -8.826 -1.213 -2.453 1.00 0.00 C ATOM 86 CD1 LEU A 6 -8.964 -1.662 -3.906 1.00 0.00 C ATOM 87 CD2 LEU A 6 -7.893 -2.171 -1.701 1.00 0.00 C ATOM 0 H LEU A 6 -10.577 1.312 -2.279 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.721 0.197 -0.321 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -8.623 0.791 -3.265 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -7.229 0.255 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 6 -9.807 -1.241 -1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -9.323 -2.691 -3.936 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.674 -1.015 -4.421 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -7.994 -1.602 -4.399 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.278 -3.188 -1.776 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -6.896 -2.128 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.840 -1.879 -0.652 1.00 0.00 H new ATOM 99 N LYS A 7 -8.637 3.349 -1.147 1.00 0.00 N ATOM 100 CA LYS A 7 -8.158 4.643 -0.704 1.00 0.00 C ATOM 101 C LYS A 7 -8.379 4.726 0.806 1.00 0.00 C ATOM 102 O LYS A 7 -7.470 5.092 1.546 1.00 0.00 O ATOM 103 CB LYS A 7 -8.943 5.730 -1.442 1.00 0.00 C ATOM 104 CG LYS A 7 -8.689 7.157 -0.927 1.00 0.00 C ATOM 105 CD LYS A 7 -7.206 7.508 -0.770 1.00 0.00 C ATOM 106 CE LYS A 7 -7.030 8.976 -0.367 1.00 0.00 C ATOM 107 NZ LYS A 7 -5.608 9.304 -0.163 1.00 0.00 N ATOM 0 H LYS A 7 -9.377 3.409 -1.847 1.00 0.00 H new ATOM 0 HA LYS A 7 -7.098 4.781 -0.919 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -8.690 5.689 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -10.008 5.511 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -9.149 7.867 -1.614 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -9.184 7.278 0.036 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -6.754 6.863 -0.016 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -6.682 7.319 -1.707 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -7.448 9.621 -1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -7.587 9.174 0.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -5.518 10.304 0.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -5.218 8.703 0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -5.083 9.137 -1.045 1.00 0.00 H new ATOM 121 N GLY A 8 -9.583 4.375 1.266 1.00 0.00 N ATOM 122 CA GLY A 8 -9.926 4.394 2.678 1.00 0.00 C ATOM 123 C GLY A 8 -8.924 3.551 3.460 1.00 0.00 C ATOM 124 O GLY A 8 -8.334 4.011 4.433 1.00 0.00 O ATOM 0 H GLY A 8 -10.346 4.069 0.662 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -9.922 5.419 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.934 4.006 2.823 1.00 0.00 H new ATOM 128 N ILE A 9 -8.726 2.311 3.020 1.00 0.00 N ATOM 129 CA ILE A 9 -7.795 1.371 3.631 1.00 0.00 C ATOM 130 C ILE A 9 -6.372 1.955 3.643 1.00 0.00 C ATOM 131 O ILE A 9 -5.739 2.025 4.695 1.00 0.00 O ATOM 132 CB ILE A 9 -7.906 0.036 2.877 1.00 0.00 C ATOM 133 CG1 ILE A 9 -9.311 -0.581 3.038 1.00 0.00 C ATOM 134 CG2 ILE A 9 -6.806 -0.948 3.276 1.00 0.00 C ATOM 135 CD1 ILE A 9 -9.498 -1.405 4.315 1.00 0.00 C ATOM 0 H ILE A 9 -9.218 1.926 2.214 1.00 0.00 H new ATOM 0 HA ILE A 9 -8.043 1.190 4.677 1.00 0.00 H new ATOM 0 HB ILE A 9 -7.759 0.252 1.819 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -10.050 0.220 3.026 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -9.516 -1.217 2.177 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -6.927 -1.876 2.717 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.831 -0.514 3.053 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -6.874 -1.157 4.344 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -10.513 -1.801 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -8.786 -2.230 4.323 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -9.328 -0.771 5.185 1.00 0.00 H new ATOM 147 N PHE A 10 -5.866 2.382 2.482 1.00 0.00 N ATOM 148 CA PHE A 10 -4.549 2.994 2.334 1.00 0.00 C ATOM 149 C PHE A 10 -4.401 4.098 3.375 1.00 0.00 C ATOM 150 O PHE A 10 -3.433 4.115 4.123 1.00 0.00 O ATOM 151 CB PHE A 10 -4.388 3.575 0.918 1.00 0.00 C ATOM 152 CG PHE A 10 -3.195 4.498 0.727 1.00 0.00 C ATOM 153 CD1 PHE A 10 -3.283 5.828 1.179 1.00 0.00 C ATOM 154 CD2 PHE A 10 -1.935 3.992 0.354 1.00 0.00 C ATOM 155 CE1 PHE A 10 -2.133 6.464 1.658 1.00 0.00 C ATOM 156 CE2 PHE A 10 -0.785 4.771 0.572 1.00 0.00 C ATOM 157 CZ PHE A 10 -0.875 5.937 1.348 1.00 0.00 C ATOM 0 H PHE A 10 -6.375 2.308 1.601 1.00 0.00 H new ATOM 0 HA PHE A 10 -3.776 2.241 2.484 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -4.305 2.749 0.211 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -5.295 4.123 0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -4.227 6.351 1.156 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.853 3.014 -0.096 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.216 7.355 2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 10 0.162 4.474 0.145 1.00 0.00 H new ATOM 0 HZ PHE A 10 0.021 6.424 1.703 1.00 0.00 H new ATOM 167 N GLU A 11 -5.368 5.018 3.414 1.00 0.00 N ATOM 168 CA GLU A 11 -5.377 6.147 4.325 1.00 0.00 C ATOM 169 C GLU A 11 -5.335 5.654 5.772 1.00 0.00 C ATOM 170 O GLU A 11 -4.539 6.142 6.572 1.00 0.00 O ATOM 171 CB GLU A 11 -6.604 7.021 4.034 1.00 0.00 C ATOM 172 CG GLU A 11 -6.515 8.373 4.748 1.00 0.00 C ATOM 173 CD GLU A 11 -7.688 9.270 4.372 1.00 0.00 C ATOM 174 OE1 GLU A 11 -7.666 9.779 3.230 1.00 0.00 O ATOM 175 OE2 GLU A 11 -8.588 9.422 5.226 1.00 0.00 O ATOM 0 H GLU A 11 -6.180 4.991 2.797 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.490 6.762 4.176 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -6.691 7.181 2.959 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.507 6.499 4.352 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.503 8.218 5.827 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.578 8.865 4.486 1.00 0.00 H new ATOM 182 N LYS A 12 -6.191 4.683 6.101 1.00 0.00 N ATOM 183 CA LYS A 12 -6.269 4.097 7.429 1.00 0.00 C ATOM 184 C LYS A 12 -4.884 3.630 7.870 1.00 0.00 C ATOM 185 O LYS A 12 -4.445 3.985 8.959 1.00 0.00 O ATOM 186 CB LYS A 12 -7.290 2.950 7.457 1.00 0.00 C ATOM 187 CG LYS A 12 -7.598 2.510 8.896 1.00 0.00 C ATOM 188 CD LYS A 12 -8.630 1.371 8.947 1.00 0.00 C ATOM 189 CE LYS A 12 -8.126 0.043 8.365 1.00 0.00 C ATOM 190 NZ LYS A 12 -6.931 -0.454 9.070 1.00 0.00 N ATOM 0 H LYS A 12 -6.855 4.281 5.439 1.00 0.00 H new ATOM 0 HA LYS A 12 -6.614 4.853 8.135 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -8.210 3.268 6.967 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -6.904 2.103 6.890 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -6.677 2.185 9.380 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -7.972 3.363 9.463 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.928 1.211 9.983 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.522 1.679 8.402 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -8.919 -0.703 8.426 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -7.894 0.176 7.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -6.146 -0.552 8.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -6.664 0.218 9.817 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.139 -1.380 9.496 1.00 0.00 H new ATOM 204 N TYR A 13 -4.186 2.848 7.039 1.00 0.00 N ATOM 205 CA TYR A 13 -2.854 2.394 7.405 1.00 0.00 C ATOM 206 C TYR A 13 -1.890 3.579 7.437 1.00 0.00 C ATOM 207 O TYR A 13 -1.213 3.785 8.439 1.00 0.00 O ATOM 208 CB TYR A 13 -2.393 1.244 6.510 1.00 0.00 C ATOM 209 CG TYR A 13 -2.945 -0.092 6.964 1.00 0.00 C ATOM 210 CD1 TYR A 13 -4.211 -0.490 6.507 1.00 0.00 C ATOM 211 CD2 TYR A 13 -2.256 -0.891 7.903 1.00 0.00 C ATOM 212 CE1 TYR A 13 -4.790 -1.673 6.980 1.00 0.00 C ATOM 213 CE2 TYR A 13 -2.910 -1.991 8.486 1.00 0.00 C ATOM 214 CZ TYR A 13 -4.169 -2.392 8.012 1.00 0.00 C ATOM 215 OH TYR A 13 -4.813 -3.454 8.566 1.00 0.00 O ATOM 0 H TYR A 13 -4.518 2.526 6.130 1.00 0.00 H new ATOM 0 HA TYR A 13 -2.874 1.980 8.413 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -2.708 1.436 5.484 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -1.304 1.203 6.507 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -4.740 0.118 5.788 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.236 -0.659 8.171 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -5.714 -2.032 6.551 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -2.443 -2.528 9.299 1.00 0.00 H new ATOM 0 HH TYR A 13 -4.157 -4.133 8.830 1.00 0.00 H new ATOM 225 N ALA A 14 -1.822 4.377 6.369 1.00 0.00 N ATOM 226 CA ALA A 14 -0.923 5.526 6.301 1.00 0.00 C ATOM 227 C ALA A 14 -0.982 6.395 7.567 1.00 0.00 C ATOM 228 O ALA A 14 0.042 6.816 8.102 1.00 0.00 O ATOM 229 CB ALA A 14 -1.281 6.331 5.054 1.00 0.00 C ATOM 0 H ALA A 14 -2.388 4.244 5.531 1.00 0.00 H new ATOM 0 HA ALA A 14 0.106 5.172 6.239 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.623 7.197 4.979 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.160 5.705 4.170 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -2.316 6.666 5.122 1.00 0.00 H new ATOM 235 N ALA A 15 -2.198 6.645 8.059 1.00 0.00 N ATOM 236 CA ALA A 15 -2.461 7.469 9.226 1.00 0.00 C ATOM 237 C ALA A 15 -1.738 7.007 10.493 1.00 0.00 C ATOM 238 O ALA A 15 -1.526 7.825 11.384 1.00 0.00 O ATOM 239 CB ALA A 15 -3.971 7.539 9.470 1.00 0.00 C ATOM 0 H ALA A 15 -3.047 6.266 7.639 1.00 0.00 H new ATOM 0 HA ALA A 15 -2.061 8.459 9.005 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -4.170 8.157 10.346 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.460 7.975 8.599 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.359 6.535 9.639 1.00 0.00 H new ATOM 245 N LYS A 16 -1.361 5.730 10.608 1.00 0.00 N ATOM 246 CA LYS A 16 -0.697 5.249 11.807 1.00 0.00 C ATOM 247 C LYS A 16 0.670 5.910 12.010 1.00 0.00 C ATOM 248 O LYS A 16 1.037 6.197 13.146 1.00 0.00 O ATOM 249 CB LYS A 16 -0.522 3.726 11.737 1.00 0.00 C ATOM 250 CG LYS A 16 -1.267 2.958 12.833 1.00 0.00 C ATOM 251 CD LYS A 16 -2.780 2.833 12.600 1.00 0.00 C ATOM 252 CE LYS A 16 -3.138 2.132 11.283 1.00 0.00 C ATOM 253 NZ LYS A 16 -2.415 0.863 11.089 1.00 0.00 N ATOM 0 H LYS A 16 -1.506 5.022 9.888 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.328 5.513 12.656 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.868 3.376 10.764 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.540 3.490 11.801 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.840 1.958 12.914 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.098 3.456 13.788 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.223 2.281 13.429 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -3.224 3.828 12.606 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.211 1.939 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.917 2.800 10.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.037 0.178 10.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.572 1.030 10.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.125 0.484 12.013 1.00 0.00 H new ATOM 267 N GLU A 17 1.428 6.120 10.925 1.00 0.00 N ATOM 268 CA GLU A 17 2.776 6.672 11.002 1.00 0.00 C ATOM 269 C GLU A 17 2.995 7.913 10.132 1.00 0.00 C ATOM 270 O GLU A 17 2.772 9.036 10.576 1.00 0.00 O ATOM 271 CB GLU A 17 3.810 5.573 10.693 1.00 0.00 C ATOM 272 CG GLU A 17 3.881 4.503 11.791 1.00 0.00 C ATOM 273 CD GLU A 17 5.044 3.532 11.580 1.00 0.00 C ATOM 274 OE1 GLU A 17 5.599 3.527 10.458 1.00 0.00 O ATOM 275 OE2 GLU A 17 5.378 2.828 12.558 1.00 0.00 O ATOM 0 H GLU A 17 1.120 5.911 9.975 1.00 0.00 H new ATOM 0 HA GLU A 17 2.913 7.023 12.025 1.00 0.00 H new ATOM 0 HB2 GLU A 17 3.558 5.099 9.745 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.793 6.028 10.570 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.987 4.988 12.762 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.945 3.946 11.813 1.00 0.00 H new ATOM 282 N GLY A 18 3.477 7.724 8.901 1.00 0.00 N ATOM 283 CA GLY A 18 3.877 8.801 8.005 1.00 0.00 C ATOM 284 C GLY A 18 2.750 9.633 7.398 1.00 0.00 C ATOM 285 O GLY A 18 2.767 9.849 6.194 1.00 0.00 O ATOM 0 H GLY A 18 3.601 6.797 8.495 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.540 9.471 8.551 1.00 0.00 H new ATOM 0 HA3 GLY A 18 4.460 8.370 7.191 1.00 0.00 H new ATOM 289 N ASP A 19 1.808 10.125 8.211 1.00 0.00 N ATOM 290 CA ASP A 19 0.683 10.959 7.788 1.00 0.00 C ATOM 291 C ASP A 19 -0.297 10.180 6.892 1.00 0.00 C ATOM 292 O ASP A 19 0.126 9.336 6.106 1.00 0.00 O ATOM 293 CB ASP A 19 1.212 12.256 7.129 1.00 0.00 C ATOM 294 CG ASP A 19 0.127 13.126 6.506 1.00 0.00 C ATOM 295 OD1 ASP A 19 -0.365 12.731 5.425 1.00 0.00 O ATOM 296 OD2 ASP A 19 -0.197 14.164 7.120 1.00 0.00 O ATOM 0 H ASP A 19 1.810 9.946 9.215 1.00 0.00 H new ATOM 0 HA ASP A 19 0.104 11.250 8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 19 1.745 12.840 7.879 1.00 0.00 H new ATOM 0 HB3 ASP A 19 1.936 11.990 6.359 1.00 0.00 H new ATOM 301 N PRO A 20 -1.616 10.444 6.970 1.00 0.00 N ATOM 302 CA PRO A 20 -2.627 9.780 6.148 1.00 0.00 C ATOM 303 C PRO A 20 -2.322 9.686 4.646 1.00 0.00 C ATOM 304 O PRO A 20 -2.957 8.885 3.968 1.00 0.00 O ATOM 305 CB PRO A 20 -3.947 10.516 6.412 1.00 0.00 C ATOM 306 CG PRO A 20 -3.527 11.816 7.096 1.00 0.00 C ATOM 307 CD PRO A 20 -2.273 11.398 7.851 1.00 0.00 C ATOM 0 HA PRO A 20 -2.663 8.731 6.441 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -4.486 10.711 5.485 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -4.609 9.928 7.048 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -3.322 12.607 6.374 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -4.300 12.190 7.768 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -1.631 12.254 8.058 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -2.521 10.946 8.811 1.00 0.00 H new ATOM 315 N ASN A 21 -1.388 10.468 4.097 1.00 0.00 N ATOM 316 CA ASN A 21 -1.033 10.421 2.695 1.00 0.00 C ATOM 317 C ASN A 21 0.086 9.414 2.379 1.00 0.00 C ATOM 318 O ASN A 21 0.161 8.988 1.226 1.00 0.00 O ATOM 319 CB ASN A 21 -0.656 11.835 2.256 1.00 0.00 C ATOM 320 CG ASN A 21 -0.275 11.856 0.786 1.00 0.00 C ATOM 321 OD1 ASN A 21 -1.112 11.724 -0.097 1.00 0.00 O ATOM 322 ND2 ASN A 21 1.001 12.019 0.493 1.00 0.00 N ATOM 0 H ASN A 21 -0.856 11.157 4.629 1.00 0.00 H new ATOM 0 HA ASN A 21 -1.895 10.062 2.132 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.494 12.511 2.430 1.00 0.00 H new ATOM 0 HB3 ASN A 21 0.177 12.198 2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 21 1.302 12.036 -0.481 1.00 0.00 H new ATOM 0 HD22 ASN A 21 1.686 12.128 1.241 1.00 0.00 H new ATOM 329 N GLN A 22 0.948 9.016 3.335 1.00 0.00 N ATOM 330 CA GLN A 22 2.048 8.084 3.047 1.00 0.00 C ATOM 331 C GLN A 22 2.080 6.805 3.900 1.00 0.00 C ATOM 332 O GLN A 22 1.831 6.817 5.099 1.00 0.00 O ATOM 333 CB GLN A 22 3.435 8.728 3.166 1.00 0.00 C ATOM 334 CG GLN A 22 3.854 9.799 2.156 1.00 0.00 C ATOM 335 CD GLN A 22 3.794 11.174 2.804 1.00 0.00 C ATOM 336 OE1 GLN A 22 2.908 11.973 2.533 1.00 0.00 O ATOM 337 NE2 GLN A 22 4.741 11.478 3.674 1.00 0.00 N ATOM 0 H GLN A 22 0.902 9.325 4.306 1.00 0.00 H new ATOM 0 HA GLN A 22 1.828 7.808 2.016 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.507 9.170 4.160 1.00 0.00 H new ATOM 0 HB3 GLN A 22 4.173 7.927 3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.864 9.599 1.799 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.197 9.768 1.287 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.473 10.801 3.889 1.00 0.00 H new ATOM 0 HE22 GLN A 22 4.740 12.390 4.131 1.00 0.00 H new ATOM 346 N LEU A 23 2.445 5.695 3.253 1.00 0.00 N ATOM 347 CA LEU A 23 2.627 4.367 3.826 1.00 0.00 C ATOM 348 C LEU A 23 4.118 4.093 4.028 1.00 0.00 C ATOM 349 O LEU A 23 4.846 3.923 3.051 1.00 0.00 O ATOM 350 CB LEU A 23 2.118 3.317 2.829 1.00 0.00 C ATOM 351 CG LEU A 23 0.644 2.953 2.956 1.00 0.00 C ATOM 352 CD1 LEU A 23 0.321 1.970 1.824 1.00 0.00 C ATOM 353 CD2 LEU A 23 0.294 2.281 4.287 1.00 0.00 C ATOM 0 H LEU A 23 2.632 5.705 2.250 1.00 0.00 H new ATOM 0 HA LEU A 23 2.088 4.317 4.772 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.298 3.683 1.818 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.710 2.410 2.949 1.00 0.00 H new ATOM 0 HG LEU A 23 0.065 3.875 2.904 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -0.729 1.683 1.880 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.517 2.445 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.945 1.082 1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.771 2.050 4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.868 1.360 4.392 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.536 2.954 5.109 1.00 0.00 H new ATOM 365 N SER A 24 4.595 4.019 5.270 1.00 0.00 N ATOM 366 CA SER A 24 5.993 3.693 5.515 1.00 0.00 C ATOM 367 C SER A 24 6.231 2.222 5.152 1.00 0.00 C ATOM 368 O SER A 24 5.287 1.466 4.931 1.00 0.00 O ATOM 369 CB SER A 24 6.352 3.957 6.983 1.00 0.00 C ATOM 370 OG SER A 24 5.745 2.980 7.805 1.00 0.00 O ATOM 0 H SER A 24 4.039 4.179 6.110 1.00 0.00 H new ATOM 0 HA SER A 24 6.632 4.324 4.897 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.434 3.934 7.113 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.017 4.952 7.276 1.00 0.00 H new ATOM 0 HG SER A 24 5.794 3.264 8.742 1.00 0.00 H new ATOM 376 N LYS A 25 7.495 1.801 5.104 1.00 0.00 N ATOM 377 CA LYS A 25 7.856 0.416 4.827 1.00 0.00 C ATOM 378 C LYS A 25 7.180 -0.471 5.877 1.00 0.00 C ATOM 379 O LYS A 25 6.525 -1.461 5.555 1.00 0.00 O ATOM 380 CB LYS A 25 9.390 0.327 4.799 1.00 0.00 C ATOM 381 CG LYS A 25 9.923 -1.101 4.655 1.00 0.00 C ATOM 382 CD LYS A 25 11.452 -1.210 4.765 1.00 0.00 C ATOM 383 CE LYS A 25 12.225 -0.493 3.648 1.00 0.00 C ATOM 384 NZ LYS A 25 12.436 0.938 3.929 1.00 0.00 N ATOM 0 H LYS A 25 8.296 2.414 5.257 1.00 0.00 H new ATOM 0 HA LYS A 25 7.506 0.062 3.857 1.00 0.00 H new ATOM 0 HB2 LYS A 25 9.765 0.930 3.972 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.787 0.762 5.716 1.00 0.00 H new ATOM 0 HG2 LYS A 25 9.468 -1.727 5.422 1.00 0.00 H new ATOM 0 HG3 LYS A 25 9.609 -1.500 3.691 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.764 -0.801 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.729 -2.264 4.762 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.191 -0.978 3.512 1.00 0.00 H new ATOM 0 HE3 LYS A 25 11.680 -0.598 2.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 11.907 1.509 3.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.101 1.156 4.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.449 1.160 3.857 1.00 0.00 H new ATOM 398 N GLU A 26 7.332 -0.079 7.140 1.00 0.00 N ATOM 399 CA GLU A 26 6.720 -0.752 8.274 1.00 0.00 C ATOM 400 C GLU A 26 5.203 -0.804 8.070 1.00 0.00 C ATOM 401 O GLU A 26 4.587 -1.854 8.219 1.00 0.00 O ATOM 402 CB GLU A 26 7.127 -0.015 9.563 1.00 0.00 C ATOM 403 CG GLU A 26 6.644 -0.694 10.858 1.00 0.00 C ATOM 404 CD GLU A 26 5.237 -0.303 11.323 1.00 0.00 C ATOM 405 OE1 GLU A 26 4.604 0.542 10.654 1.00 0.00 O ATOM 406 OE2 GLU A 26 4.821 -0.865 12.359 1.00 0.00 O ATOM 0 H GLU A 26 7.894 0.730 7.404 1.00 0.00 H new ATOM 0 HA GLU A 26 7.066 -1.782 8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.213 0.068 9.593 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.731 1.000 9.529 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.673 -1.774 10.714 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.349 -0.460 11.655 1.00 0.00 H new ATOM 413 N GLU A 27 4.595 0.333 7.731 1.00 0.00 N ATOM 414 CA GLU A 27 3.157 0.424 7.554 1.00 0.00 C ATOM 415 C GLU A 27 2.637 -0.490 6.442 1.00 0.00 C ATOM 416 O GLU A 27 1.636 -1.189 6.617 1.00 0.00 O ATOM 417 CB GLU A 27 2.779 1.892 7.325 1.00 0.00 C ATOM 418 CG GLU A 27 1.315 2.155 7.661 1.00 0.00 C ATOM 419 CD GLU A 27 1.014 1.935 9.139 1.00 0.00 C ATOM 420 OE1 GLU A 27 1.798 2.457 9.960 1.00 0.00 O ATOM 421 OE2 GLU A 27 0.014 1.238 9.421 1.00 0.00 O ATOM 0 H GLU A 27 5.089 1.211 7.573 1.00 0.00 H new ATOM 0 HA GLU A 27 2.671 0.066 8.461 1.00 0.00 H new ATOM 0 HB2 GLU A 27 3.414 2.531 7.938 1.00 0.00 H new ATOM 0 HB3 GLU A 27 2.968 2.159 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.060 3.179 7.389 1.00 0.00 H new ATOM 0 HG3 GLU A 27 0.683 1.499 7.062 1.00 0.00 H new ATOM 428 N LEU A 28 3.312 -0.489 5.291 1.00 0.00 N ATOM 429 CA LEU A 28 2.928 -1.318 4.161 1.00 0.00 C ATOM 430 C LEU A 28 2.827 -2.776 4.602 1.00 0.00 C ATOM 431 O LEU A 28 1.888 -3.469 4.221 1.00 0.00 O ATOM 432 CB LEU A 28 3.960 -1.165 3.034 1.00 0.00 C ATOM 433 CG LEU A 28 3.599 -1.964 1.768 1.00 0.00 C ATOM 434 CD1 LEU A 28 2.337 -1.427 1.082 1.00 0.00 C ATOM 435 CD2 LEU A 28 4.762 -1.917 0.774 1.00 0.00 C ATOM 0 H LEU A 28 4.137 0.087 5.122 1.00 0.00 H new ATOM 0 HA LEU A 28 1.954 -0.999 3.789 1.00 0.00 H new ATOM 0 HB2 LEU A 28 4.053 -0.110 2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 28 4.935 -1.491 3.396 1.00 0.00 H new ATOM 0 HG LEU A 28 3.404 -2.990 2.081 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.124 -2.023 0.195 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.495 -1.488 1.771 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.495 -0.388 0.792 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.500 -2.484 -0.119 1.00 0.00 H new ATOM 0 HD22 LEU A 28 4.965 -0.882 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 28 5.650 -2.352 1.232 1.00 0.00 H new ATOM 447 N LYS A 29 3.790 -3.236 5.405 1.00 0.00 N ATOM 448 CA LYS A 29 3.813 -4.616 5.872 1.00 0.00 C ATOM 449 C LYS A 29 2.462 -4.986 6.487 1.00 0.00 C ATOM 450 O LYS A 29 1.747 -5.830 5.952 1.00 0.00 O ATOM 451 CB LYS A 29 4.971 -4.826 6.856 1.00 0.00 C ATOM 452 CG LYS A 29 5.071 -6.265 7.367 1.00 0.00 C ATOM 453 CD LYS A 29 5.626 -7.213 6.294 1.00 0.00 C ATOM 454 CE LYS A 29 5.665 -8.676 6.751 1.00 0.00 C ATOM 455 NZ LYS A 29 6.423 -8.848 8.002 1.00 0.00 N ATOM 0 H LYS A 29 4.565 -2.666 5.744 1.00 0.00 H new ATOM 0 HA LYS A 29 3.982 -5.282 5.025 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.907 -4.554 6.369 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.845 -4.153 7.704 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.714 -6.295 8.246 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.085 -6.609 7.681 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.014 -7.135 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.633 -6.896 6.022 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.647 -9.038 6.893 1.00 0.00 H new ATOM 0 HE3 LYS A 29 6.115 -9.287 5.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 6.539 -9.862 8.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 7.359 -8.405 7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.907 -8.398 8.785 1.00 0.00 H new ATOM 469 N LEU A 30 2.120 -4.354 7.611 1.00 0.00 N ATOM 470 CA LEU A 30 0.858 -4.566 8.305 1.00 0.00 C ATOM 471 C LEU A 30 -0.331 -4.474 7.342 1.00 0.00 C ATOM 472 O LEU A 30 -1.239 -5.302 7.402 1.00 0.00 O ATOM 473 CB LEU A 30 0.664 -3.625 9.507 1.00 0.00 C ATOM 474 CG LEU A 30 1.766 -2.614 9.838 1.00 0.00 C ATOM 475 CD1 LEU A 30 1.222 -1.569 10.818 1.00 0.00 C ATOM 476 CD2 LEU A 30 2.959 -3.308 10.497 1.00 0.00 C ATOM 0 H LEU A 30 2.724 -3.671 8.068 1.00 0.00 H new ATOM 0 HA LEU A 30 0.901 -5.579 8.706 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -0.258 -3.067 9.344 1.00 0.00 H new ATOM 0 HB3 LEU A 30 0.509 -4.245 10.390 1.00 0.00 H new ATOM 0 HG LEU A 30 2.086 -2.144 8.908 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.006 -0.849 11.054 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.377 -1.050 10.365 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.896 -2.063 11.733 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.729 -2.571 10.723 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.636 -3.790 11.420 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.364 -4.059 9.818 1.00 0.00 H new ATOM 488 N LEU A 31 -0.332 -3.475 6.456 1.00 0.00 N ATOM 489 CA LEU A 31 -1.400 -3.292 5.481 1.00 0.00 C ATOM 490 C LEU A 31 -1.613 -4.586 4.694 1.00 0.00 C ATOM 491 O LEU A 31 -2.678 -5.203 4.746 1.00 0.00 O ATOM 492 CB LEU A 31 -1.040 -2.133 4.538 1.00 0.00 C ATOM 493 CG LEU A 31 -2.220 -1.474 3.810 1.00 0.00 C ATOM 494 CD1 LEU A 31 -1.704 -0.766 2.564 1.00 0.00 C ATOM 495 CD2 LEU A 31 -3.365 -2.400 3.408 1.00 0.00 C ATOM 0 H LEU A 31 0.407 -2.774 6.397 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.329 -3.048 5.996 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.520 -1.368 5.115 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.337 -2.502 3.791 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.649 -0.788 4.540 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.537 -0.295 2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.979 -0.004 2.852 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.226 -1.491 1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.139 -1.823 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.990 -3.172 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.785 -2.868 4.299 1.00 0.00 H new ATOM 507 N LEU A 32 -0.578 -4.996 3.961 1.00 0.00 N ATOM 508 CA LEU A 32 -0.639 -6.176 3.117 1.00 0.00 C ATOM 509 C LEU A 32 -0.953 -7.411 3.951 1.00 0.00 C ATOM 510 O LEU A 32 -1.759 -8.239 3.541 1.00 0.00 O ATOM 511 CB LEU A 32 0.656 -6.350 2.318 1.00 0.00 C ATOM 512 CG LEU A 32 1.007 -5.131 1.454 1.00 0.00 C ATOM 513 CD1 LEU A 32 2.296 -5.398 0.673 1.00 0.00 C ATOM 514 CD2 LEU A 32 -0.104 -4.743 0.475 1.00 0.00 C ATOM 0 H LEU A 32 0.322 -4.517 3.940 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.447 -6.043 2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.477 -6.545 3.008 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.564 -7.226 1.676 1.00 0.00 H new ATOM 0 HG LEU A 32 1.138 -4.295 2.140 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.538 -4.528 0.062 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.111 -5.590 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.158 -6.266 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.209 -3.874 -0.105 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.303 -5.576 -0.199 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.010 -4.501 1.030 1.00 0.00 H new ATOM 526 N GLN A 33 -0.337 -7.534 5.126 1.00 0.00 N ATOM 527 CA GLN A 33 -0.552 -8.640 6.027 1.00 0.00 C ATOM 528 C GLN A 33 -2.033 -8.762 6.390 1.00 0.00 C ATOM 529 O GLN A 33 -2.567 -9.867 6.417 1.00 0.00 O ATOM 530 CB GLN A 33 0.266 -8.380 7.289 1.00 0.00 C ATOM 531 CG GLN A 33 1.708 -8.884 7.220 1.00 0.00 C ATOM 532 CD GLN A 33 2.394 -8.712 8.574 1.00 0.00 C ATOM 533 OE1 GLN A 33 2.388 -7.641 9.162 1.00 0.00 O ATOM 534 NE2 GLN A 33 3.005 -9.758 9.107 1.00 0.00 N ATOM 0 H GLN A 33 0.335 -6.850 5.474 1.00 0.00 H new ATOM 0 HA GLN A 33 -0.245 -9.571 5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.277 -7.308 7.486 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -0.232 -8.854 8.135 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.720 -9.934 6.929 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.256 -8.335 6.454 1.00 0.00 H new ATOM 0 HE21 GLN A 33 3.009 -10.652 8.615 1.00 0.00 H new ATOM 0 HE22 GLN A 33 3.472 -9.671 10.010 1.00 0.00 H new ATOM 543 N THR A 34 -2.691 -7.641 6.686 1.00 0.00 N ATOM 544 CA THR A 34 -4.093 -7.662 7.072 1.00 0.00 C ATOM 545 C THR A 34 -5.004 -7.931 5.872 1.00 0.00 C ATOM 546 O THR A 34 -5.914 -8.752 5.952 1.00 0.00 O ATOM 547 CB THR A 34 -4.503 -6.330 7.731 1.00 0.00 C ATOM 548 OG1 THR A 34 -3.570 -5.902 8.709 1.00 0.00 O ATOM 549 CG2 THR A 34 -5.869 -6.477 8.413 1.00 0.00 C ATOM 0 H THR A 34 -2.272 -6.711 6.665 1.00 0.00 H new ATOM 0 HA THR A 34 -4.212 -8.473 7.790 1.00 0.00 H new ATOM 0 HB THR A 34 -4.541 -5.588 6.934 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.715 -5.695 8.277 1.00 0.00 H new ATOM 0 HG21 THR A 34 -6.149 -5.530 8.875 1.00 0.00 H new ATOM 0 HG22 THR A 34 -6.618 -6.754 7.671 1.00 0.00 H new ATOM 0 HG23 THR A 34 -5.812 -7.251 9.178 1.00 0.00 H new ATOM 557 N GLU A 35 -4.787 -7.208 4.772 1.00 0.00 N ATOM 558 CA GLU A 35 -5.671 -7.248 3.618 1.00 0.00 C ATOM 559 C GLU A 35 -5.450 -8.411 2.655 1.00 0.00 C ATOM 560 O GLU A 35 -6.421 -9.004 2.191 1.00 0.00 O ATOM 561 CB GLU A 35 -5.583 -5.912 2.875 1.00 0.00 C ATOM 562 CG GLU A 35 -5.882 -4.706 3.778 1.00 0.00 C ATOM 563 CD GLU A 35 -7.272 -4.758 4.400 1.00 0.00 C ATOM 564 OE1 GLU A 35 -8.242 -4.840 3.617 1.00 0.00 O ATOM 565 OE2 GLU A 35 -7.337 -4.706 5.648 1.00 0.00 O ATOM 0 H GLU A 35 -3.991 -6.579 4.661 1.00 0.00 H new ATOM 0 HA GLU A 35 -6.671 -7.418 4.016 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -4.585 -5.803 2.450 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -6.285 -5.918 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.136 -4.660 4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.785 -3.790 3.195 1.00 0.00 H new ATOM 572 N PHE A 36 -4.204 -8.740 2.313 1.00 0.00 N ATOM 573 CA PHE A 36 -3.938 -9.779 1.331 1.00 0.00 C ATOM 574 C PHE A 36 -2.513 -10.283 1.582 1.00 0.00 C ATOM 575 O PHE A 36 -1.595 -9.924 0.843 1.00 0.00 O ATOM 576 CB PHE A 36 -4.146 -9.245 -0.108 1.00 0.00 C ATOM 577 CG PHE A 36 -4.442 -7.760 -0.256 1.00 0.00 C ATOM 578 CD1 PHE A 36 -3.391 -6.834 -0.124 1.00 0.00 C ATOM 579 CD2 PHE A 36 -5.748 -7.298 -0.518 1.00 0.00 C ATOM 580 CE1 PHE A 36 -3.640 -5.460 -0.271 1.00 0.00 C ATOM 581 CE2 PHE A 36 -5.995 -5.922 -0.659 1.00 0.00 C ATOM 582 CZ PHE A 36 -4.941 -5.002 -0.541 1.00 0.00 C ATOM 0 H PHE A 36 -3.369 -8.301 2.702 1.00 0.00 H new ATOM 0 HA PHE A 36 -4.636 -10.610 1.433 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.250 -9.471 -0.686 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -4.967 -9.801 -0.561 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -2.391 -7.181 0.091 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -6.561 -8.003 -0.611 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.829 -4.753 -0.176 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.997 -5.572 -0.858 1.00 0.00 H new ATOM 0 HZ PHE A 36 -5.130 -3.945 -0.657 1.00 0.00 H new ATOM 592 N PRO A 37 -2.301 -11.116 2.615 1.00 0.00 N ATOM 593 CA PRO A 37 -0.984 -11.623 2.983 1.00 0.00 C ATOM 594 C PRO A 37 -0.233 -12.331 1.849 1.00 0.00 C ATOM 595 O PRO A 37 0.968 -12.539 1.961 1.00 0.00 O ATOM 596 CB PRO A 37 -1.195 -12.521 4.208 1.00 0.00 C ATOM 597 CG PRO A 37 -2.688 -12.847 4.184 1.00 0.00 C ATOM 598 CD PRO A 37 -3.303 -11.600 3.553 1.00 0.00 C ATOM 0 HA PRO A 37 -0.325 -10.786 3.214 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.589 -13.425 4.148 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.914 -12.010 5.129 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.896 -13.741 3.596 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -3.078 -13.026 5.186 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.238 -11.836 3.044 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.532 -10.848 4.308 1.00 0.00 H new ATOM 702 N THR A 45 10.956 -9.451 -0.990 1.00 0.00 N ATOM 703 CA THR A 45 11.274 -8.790 0.265 1.00 0.00 C ATOM 704 C THR A 45 10.450 -7.514 0.393 1.00 0.00 C ATOM 705 O THR A 45 10.136 -6.860 -0.601 1.00 0.00 O ATOM 706 CB THR A 45 12.773 -8.486 0.400 1.00 0.00 C ATOM 707 OG1 THR A 45 13.140 -7.426 -0.454 1.00 0.00 O ATOM 708 CG2 THR A 45 13.656 -9.706 0.118 1.00 0.00 C ATOM 0 HA THR A 45 11.019 -9.471 1.077 1.00 0.00 H new ATOM 0 HB THR A 45 12.938 -8.199 1.439 1.00 0.00 H new ATOM 0 HG1 THR A 45 13.799 -6.857 -0.004 1.00 0.00 H new ATOM 0 HG21 THR A 45 14.705 -9.430 0.229 1.00 0.00 H new ATOM 0 HG22 THR A 45 13.414 -10.501 0.823 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.479 -10.056 -0.899 1.00 0.00 H new ATOM 716 N LEU A 46 10.120 -7.160 1.636 1.00 0.00 N ATOM 717 CA LEU A 46 9.378 -5.954 1.965 1.00 0.00 C ATOM 718 C LEU A 46 10.092 -4.733 1.389 1.00 0.00 C ATOM 719 O LEU A 46 9.449 -3.807 0.913 1.00 0.00 O ATOM 720 CB LEU A 46 9.301 -5.837 3.492 1.00 0.00 C ATOM 721 CG LEU A 46 8.529 -4.603 3.989 1.00 0.00 C ATOM 722 CD1 LEU A 46 7.046 -4.651 3.603 1.00 0.00 C ATOM 723 CD2 LEU A 46 8.687 -4.497 5.510 1.00 0.00 C ATOM 0 H LEU A 46 10.368 -7.717 2.453 1.00 0.00 H new ATOM 0 HA LEU A 46 8.375 -6.004 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 46 8.827 -6.734 3.891 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.313 -5.805 3.895 1.00 0.00 H new ATOM 0 HG LEU A 46 8.948 -3.720 3.507 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.544 -3.758 3.976 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.954 -4.692 2.518 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.585 -5.536 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.143 -3.625 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 46 8.287 -5.395 5.981 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.743 -4.396 5.760 1.00 0.00 H new ATOM 735 N ASP A 47 11.425 -4.745 1.445 1.00 0.00 N ATOM 736 CA ASP A 47 12.285 -3.676 0.992 1.00 0.00 C ATOM 737 C ASP A 47 12.137 -3.543 -0.510 1.00 0.00 C ATOM 738 O ASP A 47 11.744 -2.487 -0.975 1.00 0.00 O ATOM 739 CB ASP A 47 13.735 -3.947 1.410 1.00 0.00 C ATOM 740 CG ASP A 47 14.668 -2.815 0.986 1.00 0.00 C ATOM 741 OD1 ASP A 47 14.241 -1.646 1.111 1.00 0.00 O ATOM 742 OD2 ASP A 47 15.800 -3.143 0.573 1.00 0.00 O ATOM 0 H ASP A 47 11.945 -5.536 1.824 1.00 0.00 H new ATOM 0 HA ASP A 47 11.997 -2.732 1.454 1.00 0.00 H new ATOM 0 HB2 ASP A 47 13.784 -4.073 2.492 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.073 -4.883 0.965 1.00 0.00 H new ATOM 747 N GLU A 48 12.420 -4.605 -1.268 1.00 0.00 N ATOM 748 CA GLU A 48 12.289 -4.577 -2.720 1.00 0.00 C ATOM 749 C GLU A 48 10.883 -4.117 -3.119 1.00 0.00 C ATOM 750 O GLU A 48 10.713 -3.249 -3.972 1.00 0.00 O ATOM 751 CB GLU A 48 12.601 -5.970 -3.275 1.00 0.00 C ATOM 752 CG GLU A 48 14.097 -6.298 -3.125 1.00 0.00 C ATOM 753 CD GLU A 48 14.991 -5.461 -4.040 1.00 0.00 C ATOM 754 OE1 GLU A 48 14.582 -5.247 -5.203 1.00 0.00 O ATOM 755 OE2 GLU A 48 16.075 -5.066 -3.564 1.00 0.00 O ATOM 0 H GLU A 48 12.743 -5.498 -0.894 1.00 0.00 H new ATOM 0 HA GLU A 48 12.997 -3.864 -3.143 1.00 0.00 H new ATOM 0 HB2 GLU A 48 12.006 -6.717 -2.749 1.00 0.00 H new ATOM 0 HB3 GLU A 48 12.317 -6.019 -4.326 1.00 0.00 H new ATOM 0 HG2 GLU A 48 14.396 -6.137 -2.089 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.254 -7.355 -3.341 1.00 0.00 H new ATOM 762 N LEU A 49 9.868 -4.702 -2.484 1.00 0.00 N ATOM 763 CA LEU A 49 8.478 -4.381 -2.744 1.00 0.00 C ATOM 764 C LEU A 49 8.208 -2.893 -2.521 1.00 0.00 C ATOM 765 O LEU A 49 7.805 -2.176 -3.435 1.00 0.00 O ATOM 766 CB LEU A 49 7.614 -5.285 -1.859 1.00 0.00 C ATOM 767 CG LEU A 49 6.125 -4.940 -1.888 1.00 0.00 C ATOM 768 CD1 LEU A 49 5.558 -4.929 -3.313 1.00 0.00 C ATOM 769 CD2 LEU A 49 5.371 -5.983 -1.058 1.00 0.00 C ATOM 0 H LEU A 49 9.996 -5.418 -1.769 1.00 0.00 H new ATOM 0 HA LEU A 49 8.226 -4.568 -3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.743 -6.319 -2.177 1.00 0.00 H new ATOM 0 HB3 LEU A 49 7.972 -5.220 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 49 6.000 -3.938 -1.478 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.498 -4.679 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.088 -4.187 -3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.685 -5.914 -3.763 1.00 0.00 H new ATOM 0 HD21 LEU A 49 4.305 -5.754 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.533 -6.973 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.738 -5.966 -0.032 1.00 0.00 H new ATOM 781 N PHE A 50 8.441 -2.417 -1.301 1.00 0.00 N ATOM 782 CA PHE A 50 8.271 -1.037 -0.924 1.00 0.00 C ATOM 783 C PHE A 50 9.106 -0.154 -1.840 1.00 0.00 C ATOM 784 O PHE A 50 8.667 0.929 -2.184 1.00 0.00 O ATOM 785 CB PHE A 50 8.734 -0.913 0.525 1.00 0.00 C ATOM 786 CG PHE A 50 8.979 0.496 0.982 1.00 0.00 C ATOM 787 CD1 PHE A 50 7.945 1.245 1.549 1.00 0.00 C ATOM 788 CD2 PHE A 50 10.264 1.042 0.859 1.00 0.00 C ATOM 789 CE1 PHE A 50 8.242 2.464 2.176 1.00 0.00 C ATOM 790 CE2 PHE A 50 10.568 2.262 1.488 1.00 0.00 C ATOM 791 CZ PHE A 50 9.573 2.911 2.242 1.00 0.00 C ATOM 0 H PHE A 50 8.762 -3.006 -0.533 1.00 0.00 H new ATOM 0 HA PHE A 50 7.232 -0.720 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 50 7.984 -1.366 1.173 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.652 -1.487 0.650 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.926 0.889 1.505 1.00 0.00 H new ATOM 0 HD2 PHE A 50 11.018 0.527 0.283 1.00 0.00 H new ATOM 0 HE1 PHE A 50 7.450 3.058 2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 50 11.553 2.696 1.394 1.00 0.00 H new ATOM 0 HZ PHE A 50 9.831 3.751 2.870 1.00 0.00 H new ATOM 801 N GLU A 51 10.298 -0.595 -2.245 1.00 0.00 N ATOM 802 CA GLU A 51 11.136 0.211 -3.126 1.00 0.00 C ATOM 803 C GLU A 51 10.491 0.348 -4.500 1.00 0.00 C ATOM 804 O GLU A 51 10.516 1.431 -5.071 1.00 0.00 O ATOM 805 CB GLU A 51 12.560 -0.348 -3.222 1.00 0.00 C ATOM 806 CG GLU A 51 13.386 -0.028 -1.968 1.00 0.00 C ATOM 807 CD GLU A 51 14.721 -0.767 -1.973 1.00 0.00 C ATOM 808 OE1 GLU A 51 14.682 -2.011 -2.097 1.00 0.00 O ATOM 809 OE2 GLU A 51 15.756 -0.076 -1.858 1.00 0.00 O ATOM 0 H GLU A 51 10.699 -1.495 -1.980 1.00 0.00 H new ATOM 0 HA GLU A 51 11.219 1.207 -2.692 1.00 0.00 H new ATOM 0 HB2 GLU A 51 12.517 -1.428 -3.363 1.00 0.00 H new ATOM 0 HB3 GLU A 51 13.055 0.069 -4.099 1.00 0.00 H new ATOM 0 HG2 GLU A 51 13.564 1.046 -1.913 1.00 0.00 H new ATOM 0 HG3 GLU A 51 12.820 -0.304 -1.078 1.00 0.00 H new ATOM 816 N GLU A 52 9.893 -0.718 -5.036 1.00 0.00 N ATOM 817 CA GLU A 52 9.198 -0.615 -6.312 1.00 0.00 C ATOM 818 C GLU A 52 8.060 0.392 -6.132 1.00 0.00 C ATOM 819 O GLU A 52 7.834 1.275 -6.954 1.00 0.00 O ATOM 820 CB GLU A 52 8.654 -1.996 -6.712 1.00 0.00 C ATOM 821 CG GLU A 52 7.583 -1.936 -7.816 1.00 0.00 C ATOM 822 CD GLU A 52 8.091 -1.325 -9.122 1.00 0.00 C ATOM 823 OE1 GLU A 52 9.282 -1.544 -9.434 1.00 0.00 O ATOM 824 OE2 GLU A 52 7.268 -0.670 -9.797 1.00 0.00 O ATOM 0 H GLU A 52 9.877 -1.646 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 52 9.868 -0.279 -7.104 1.00 0.00 H new ATOM 0 HB2 GLU A 52 9.481 -2.619 -7.052 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.231 -2.480 -5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.218 -2.944 -8.013 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.734 -1.354 -7.457 1.00 0.00 H new ATOM 831 N LEU A 53 7.333 0.216 -5.034 1.00 0.00 N ATOM 832 CA LEU A 53 6.181 1.014 -4.672 1.00 0.00 C ATOM 833 C LEU A 53 6.500 2.482 -4.350 1.00 0.00 C ATOM 834 O LEU A 53 5.683 3.349 -4.637 1.00 0.00 O ATOM 835 CB LEU A 53 5.495 0.308 -3.494 1.00 0.00 C ATOM 836 CG LEU A 53 4.480 -0.737 -3.978 1.00 0.00 C ATOM 837 CD1 LEU A 53 4.209 -1.712 -2.833 1.00 0.00 C ATOM 838 CD2 LEU A 53 3.162 -0.089 -4.425 1.00 0.00 C ATOM 0 H LEU A 53 7.542 -0.513 -4.352 1.00 0.00 H new ATOM 0 HA LEU A 53 5.519 1.080 -5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 53 6.247 -0.175 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 53 4.990 1.046 -2.870 1.00 0.00 H new ATOM 0 HG LEU A 53 4.898 -1.256 -4.841 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.489 -2.463 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.139 -2.202 -2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 53 3.805 -1.168 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 53 2.471 -0.863 -4.760 1.00 0.00 H new ATOM 0 HD22 LEU A 53 2.721 0.453 -3.589 1.00 0.00 H new ATOM 0 HD23 LEU A 53 3.356 0.603 -5.244 1.00 0.00 H new ATOM 850 N ASP A 54 7.646 2.792 -3.745 1.00 0.00 N ATOM 851 CA ASP A 54 8.036 4.138 -3.350 1.00 0.00 C ATOM 852 C ASP A 54 8.948 4.692 -4.437 1.00 0.00 C ATOM 853 O ASP A 54 10.111 4.315 -4.487 1.00 0.00 O ATOM 854 CB ASP A 54 8.767 4.078 -1.990 1.00 0.00 C ATOM 855 CG ASP A 54 9.347 5.423 -1.536 1.00 0.00 C ATOM 856 OD1 ASP A 54 9.187 6.421 -2.275 1.00 0.00 O ATOM 857 OD2 ASP A 54 9.999 5.429 -0.468 1.00 0.00 O ATOM 0 H ASP A 54 8.347 2.090 -3.511 1.00 0.00 H new ATOM 0 HA ASP A 54 7.167 4.786 -3.237 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.072 3.718 -1.231 1.00 0.00 H new ATOM 0 HB3 ASP A 54 9.574 3.349 -2.055 1.00 0.00 H new ATOM 862 N LYS A 55 8.454 5.594 -5.288 1.00 0.00 N ATOM 863 CA LYS A 55 9.253 6.201 -6.354 1.00 0.00 C ATOM 864 C LYS A 55 10.622 6.710 -5.873 1.00 0.00 C ATOM 865 O LYS A 55 11.602 6.642 -6.607 1.00 0.00 O ATOM 866 CB LYS A 55 8.461 7.311 -7.071 1.00 0.00 C ATOM 867 CG LYS A 55 8.232 8.576 -6.225 1.00 0.00 C ATOM 868 CD LYS A 55 7.578 9.706 -7.032 1.00 0.00 C ATOM 869 CE LYS A 55 6.104 9.441 -7.351 1.00 0.00 C ATOM 870 NZ LYS A 55 5.517 10.567 -8.098 1.00 0.00 N ATOM 0 H LYS A 55 7.489 5.924 -5.257 1.00 0.00 H new ATOM 0 HA LYS A 55 9.464 5.408 -7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 55 8.992 7.589 -7.982 1.00 0.00 H new ATOM 0 HB3 LYS A 55 7.493 6.912 -7.375 1.00 0.00 H new ATOM 0 HG2 LYS A 55 7.601 8.330 -5.371 1.00 0.00 H new ATOM 0 HG3 LYS A 55 9.186 8.922 -5.827 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.661 10.638 -6.473 1.00 0.00 H new ATOM 0 HD3 LYS A 55 8.126 9.843 -7.964 1.00 0.00 H new ATOM 0 HE2 LYS A 55 6.013 8.525 -7.935 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.550 9.285 -6.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 4.486 10.445 -8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 5.734 11.459 -7.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 5.917 10.593 -9.058 1.00 0.00 H new ATOM 884 N ASN A 56 10.689 7.230 -4.642 1.00 0.00 N ATOM 885 CA ASN A 56 11.910 7.770 -4.051 1.00 0.00 C ATOM 886 C ASN A 56 12.704 6.668 -3.335 1.00 0.00 C ATOM 887 O ASN A 56 13.886 6.853 -3.062 1.00 0.00 O ATOM 888 CB ASN A 56 11.523 8.941 -3.130 1.00 0.00 C ATOM 889 CG ASN A 56 12.627 9.931 -2.758 1.00 0.00 C ATOM 890 OD1 ASN A 56 12.353 11.035 -2.309 1.00 0.00 O ATOM 891 ND2 ASN A 56 13.882 9.580 -2.938 1.00 0.00 N ATOM 0 H ASN A 56 9.881 7.286 -4.022 1.00 0.00 H new ATOM 0 HA ASN A 56 12.578 8.152 -4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 56 10.718 9.497 -3.611 1.00 0.00 H new ATOM 0 HB3 ASN A 56 11.117 8.526 -2.208 1.00 0.00 H new ATOM 0 HD21 ASN A 56 14.632 10.230 -2.703 1.00 0.00 H new ATOM 0 HD22 ASN A 56 14.105 8.658 -3.313 1.00 0.00 H new ATOM 898 N GLY A 57 12.068 5.528 -3.050 1.00 0.00 N ATOM 899 CA GLY A 57 12.633 4.361 -2.393 1.00 0.00 C ATOM 900 C GLY A 57 13.427 4.728 -1.149 1.00 0.00 C ATOM 901 O GLY A 57 14.599 4.375 -1.055 1.00 0.00 O ATOM 0 H GLY A 57 11.086 5.394 -3.289 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.830 3.676 -2.120 1.00 0.00 H new ATOM 0 HA3 GLY A 57 13.281 3.831 -3.092 1.00 0.00 H new ATOM 905 N ASP A 58 12.810 5.430 -0.191 1.00 0.00 N ATOM 906 CA ASP A 58 13.545 5.854 0.994 1.00 0.00 C ATOM 907 C ASP A 58 12.623 6.289 2.124 1.00 0.00 C ATOM 908 O ASP A 58 12.830 5.893 3.268 1.00 0.00 O ATOM 909 CB ASP A 58 14.546 6.978 0.650 1.00 0.00 C ATOM 910 CG ASP A 58 13.911 8.291 0.187 1.00 0.00 C ATOM 911 OD1 ASP A 58 12.780 8.243 -0.345 1.00 0.00 O ATOM 912 OD2 ASP A 58 14.574 9.332 0.383 1.00 0.00 O ATOM 0 H ASP A 58 11.829 5.708 -0.215 1.00 0.00 H new ATOM 0 HA ASP A 58 14.100 4.985 1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 58 15.160 7.179 1.528 1.00 0.00 H new ATOM 0 HB3 ASP A 58 15.216 6.620 -0.132 1.00 0.00 H new ATOM 917 N GLY A 59 11.620 7.109 1.815 1.00 0.00 N ATOM 918 CA GLY A 59 10.726 7.646 2.811 1.00 0.00 C ATOM 919 C GLY A 59 9.532 6.731 2.955 1.00 0.00 C ATOM 920 O GLY A 59 9.470 5.923 3.878 1.00 0.00 O ATOM 0 H GLY A 59 11.413 7.413 0.864 1.00 0.00 H new ATOM 0 HA2 GLY A 59 11.242 7.742 3.766 1.00 0.00 H new ATOM 0 HA3 GLY A 59 10.400 8.645 2.523 1.00 0.00 H new ATOM 924 N GLU A 60 8.574 6.872 2.039 1.00 0.00 N ATOM 925 CA GLU A 60 7.333 6.130 2.109 1.00 0.00 C ATOM 926 C GLU A 60 6.668 5.992 0.736 1.00 0.00 C ATOM 927 O GLU A 60 7.011 6.699 -0.206 1.00 0.00 O ATOM 928 CB GLU A 60 6.355 6.902 2.998 1.00 0.00 C ATOM 929 CG GLU A 60 6.744 7.276 4.440 1.00 0.00 C ATOM 930 CD GLU A 60 7.427 8.639 4.538 1.00 0.00 C ATOM 931 OE1 GLU A 60 6.775 9.627 4.133 1.00 0.00 O ATOM 932 OE2 GLU A 60 8.575 8.678 5.028 1.00 0.00 O ATOM 0 H GLU A 60 8.643 7.500 1.238 1.00 0.00 H new ATOM 0 HA GLU A 60 7.564 5.138 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.110 7.829 2.479 1.00 0.00 H new ATOM 0 HB3 GLU A 60 5.438 6.316 3.053 1.00 0.00 H new ATOM 0 HG2 GLU A 60 5.850 7.278 5.063 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.410 6.512 4.841 1.00 0.00 H new ATOM 939 N VAL A 61 5.672 5.109 0.665 1.00 0.00 N ATOM 940 CA VAL A 61 4.796 4.877 -0.477 1.00 0.00 C ATOM 941 C VAL A 61 3.631 5.853 -0.271 1.00 0.00 C ATOM 942 O VAL A 61 3.500 6.424 0.806 1.00 0.00 O ATOM 943 CB VAL A 61 4.311 3.407 -0.452 1.00 0.00 C ATOM 944 CG1 VAL A 61 3.373 3.040 -1.609 1.00 0.00 C ATOM 945 CG2 VAL A 61 5.512 2.462 -0.516 1.00 0.00 C ATOM 0 H VAL A 61 5.444 4.501 1.452 1.00 0.00 H new ATOM 0 HA VAL A 61 5.282 5.036 -1.439 1.00 0.00 H new ATOM 0 HB VAL A 61 3.753 3.301 0.478 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.078 1.994 -1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.486 3.672 -1.572 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.888 3.192 -2.557 1.00 0.00 H new ATOM 0 HG21 VAL A 61 5.164 1.429 -0.498 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.068 2.642 -1.436 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.162 2.641 0.341 1.00 0.00 H new ATOM 955 N SER A 62 2.754 6.058 -1.252 1.00 0.00 N ATOM 956 CA SER A 62 1.587 6.914 -1.087 1.00 0.00 C ATOM 957 C SER A 62 0.479 6.381 -1.983 1.00 0.00 C ATOM 958 O SER A 62 0.749 5.552 -2.857 1.00 0.00 O ATOM 959 CB SER A 62 1.911 8.382 -1.375 1.00 0.00 C ATOM 960 OG SER A 62 2.349 8.528 -2.704 1.00 0.00 O ATOM 0 H SER A 62 2.834 5.637 -2.178 1.00 0.00 H new ATOM 0 HA SER A 62 1.255 6.889 -0.049 1.00 0.00 H new ATOM 0 HB2 SER A 62 1.028 8.998 -1.205 1.00 0.00 H new ATOM 0 HB3 SER A 62 2.682 8.734 -0.689 1.00 0.00 H new ATOM 0 HG SER A 62 2.552 9.470 -2.880 1.00 0.00 H new ATOM 966 N PHE A 63 -0.756 6.851 -1.767 1.00 0.00 N ATOM 967 CA PHE A 63 -1.904 6.435 -2.564 1.00 0.00 C ATOM 968 C PHE A 63 -1.551 6.519 -4.053 1.00 0.00 C ATOM 969 O PHE A 63 -1.842 5.596 -4.813 1.00 0.00 O ATOM 970 CB PHE A 63 -3.178 7.169 -2.141 1.00 0.00 C ATOM 971 CG PHE A 63 -4.397 6.912 -3.010 1.00 0.00 C ATOM 972 CD1 PHE A 63 -4.939 5.613 -3.081 1.00 0.00 C ATOM 973 CD2 PHE A 63 -5.043 7.973 -3.676 1.00 0.00 C ATOM 974 CE1 PHE A 63 -6.089 5.365 -3.854 1.00 0.00 C ATOM 975 CE2 PHE A 63 -6.258 7.743 -4.351 1.00 0.00 C ATOM 976 CZ PHE A 63 -6.784 6.439 -4.434 1.00 0.00 C ATOM 0 H PHE A 63 -0.981 7.527 -1.037 1.00 0.00 H new ATOM 0 HA PHE A 63 -2.140 5.388 -2.374 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -3.417 6.885 -1.116 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -2.975 8.240 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -4.470 4.804 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.607 8.961 -3.669 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.436 4.353 -4.001 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.787 8.568 -4.805 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.721 6.265 -4.943 1.00 0.00 H new ATOM 986 N GLU A 64 -0.873 7.609 -4.430 1.00 0.00 N ATOM 987 CA GLU A 64 -0.354 7.904 -5.759 1.00 0.00 C ATOM 988 C GLU A 64 0.258 6.674 -6.434 1.00 0.00 C ATOM 989 O GLU A 64 0.029 6.420 -7.612 1.00 0.00 O ATOM 990 CB GLU A 64 0.763 8.954 -5.611 1.00 0.00 C ATOM 991 CG GLU A 64 1.190 9.515 -6.976 1.00 0.00 C ATOM 992 CD GLU A 64 2.349 10.504 -6.882 1.00 0.00 C ATOM 993 OE1 GLU A 64 2.909 10.649 -5.773 1.00 0.00 O ATOM 994 OE2 GLU A 64 2.669 11.092 -7.937 1.00 0.00 O ATOM 0 H GLU A 64 -0.661 8.354 -3.766 1.00 0.00 H new ATOM 0 HA GLU A 64 -1.185 8.254 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 64 0.417 9.768 -4.974 1.00 0.00 H new ATOM 0 HB3 GLU A 64 1.624 8.505 -5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 64 1.477 8.690 -7.628 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.337 10.008 -7.442 1.00 0.00 H new ATOM 1001 N GLU A 65 1.058 5.931 -5.673 1.00 0.00 N ATOM 1002 CA GLU A 65 1.782 4.768 -6.154 1.00 0.00 C ATOM 1003 C GLU A 65 0.893 3.547 -5.994 1.00 0.00 C ATOM 1004 O GLU A 65 0.725 2.737 -6.902 1.00 0.00 O ATOM 1005 CB GLU A 65 3.046 4.538 -5.318 1.00 0.00 C ATOM 1006 CG GLU A 65 3.696 5.768 -4.676 1.00 0.00 C ATOM 1007 CD GLU A 65 4.610 6.508 -5.640 1.00 0.00 C ATOM 1008 OE1 GLU A 65 4.077 7.034 -6.641 1.00 0.00 O ATOM 1009 OE2 GLU A 65 5.823 6.546 -5.343 1.00 0.00 O ATOM 0 H GLU A 65 1.221 6.129 -4.686 1.00 0.00 H new ATOM 0 HA GLU A 65 2.057 4.930 -7.196 1.00 0.00 H new ATOM 0 HB2 GLU A 65 2.802 3.832 -4.524 1.00 0.00 H new ATOM 0 HB3 GLU A 65 3.789 4.057 -5.955 1.00 0.00 H new ATOM 0 HG2 GLU A 65 2.918 6.445 -4.324 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.268 5.459 -3.801 1.00 0.00 H new ATOM 1016 N PHE A 66 0.334 3.432 -4.789 1.00 0.00 N ATOM 1017 CA PHE A 66 -0.536 2.344 -4.369 1.00 0.00 C ATOM 1018 C PHE A 66 -1.656 2.032 -5.374 1.00 0.00 C ATOM 1019 O PHE A 66 -2.179 0.923 -5.355 1.00 0.00 O ATOM 1020 CB PHE A 66 -1.045 2.657 -2.968 1.00 0.00 C ATOM 1021 CG PHE A 66 -2.171 1.791 -2.458 1.00 0.00 C ATOM 1022 CD1 PHE A 66 -3.489 2.129 -2.801 1.00 0.00 C ATOM 1023 CD2 PHE A 66 -1.917 0.683 -1.629 1.00 0.00 C ATOM 1024 CE1 PHE A 66 -4.559 1.392 -2.274 1.00 0.00 C ATOM 1025 CE2 PHE A 66 -2.991 -0.075 -1.129 1.00 0.00 C ATOM 1026 CZ PHE A 66 -4.313 0.294 -1.431 1.00 0.00 C ATOM 0 H PHE A 66 0.483 4.123 -4.054 1.00 0.00 H new ATOM 0 HA PHE A 66 0.038 1.418 -4.341 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -0.209 2.575 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.376 3.695 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -3.679 2.955 -3.470 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -0.901 0.416 -1.378 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.575 1.668 -2.516 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.800 -0.941 -0.513 1.00 0.00 H new ATOM 0 HZ PHE A 66 -5.139 -0.265 -1.016 1.00 0.00 H new ATOM 1036 N GLN A 67 -2.035 2.946 -6.275 1.00 0.00 N ATOM 1037 CA GLN A 67 -3.019 2.603 -7.309 1.00 0.00 C ATOM 1038 C GLN A 67 -2.554 1.336 -8.060 1.00 0.00 C ATOM 1039 O GLN A 67 -3.363 0.519 -8.490 1.00 0.00 O ATOM 1040 CB GLN A 67 -3.340 3.723 -8.320 1.00 0.00 C ATOM 1041 CG GLN A 67 -2.929 5.171 -8.026 1.00 0.00 C ATOM 1042 CD GLN A 67 -4.087 5.976 -7.467 1.00 0.00 C ATOM 1043 OE1 GLN A 67 -4.917 6.505 -8.193 1.00 0.00 O ATOM 1044 NE2 GLN A 67 -4.162 6.079 -6.160 1.00 0.00 N ATOM 0 H GLN A 67 -1.687 3.904 -6.311 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.953 2.432 -6.774 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.881 3.443 -9.268 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -4.419 3.719 -8.475 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -2.103 5.178 -7.315 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -2.567 5.640 -8.941 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -3.460 5.630 -5.572 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -4.923 6.608 -5.733 1.00 0.00 H new ATOM 1053 N VAL A 68 -1.238 1.144 -8.206 1.00 0.00 N ATOM 1054 CA VAL A 68 -0.678 -0.050 -8.829 1.00 0.00 C ATOM 1055 C VAL A 68 -1.112 -1.281 -8.018 1.00 0.00 C ATOM 1056 O VAL A 68 -1.415 -2.330 -8.578 1.00 0.00 O ATOM 1057 CB VAL A 68 0.853 0.080 -8.930 1.00 0.00 C ATOM 1058 CG1 VAL A 68 1.486 -1.195 -9.500 1.00 0.00 C ATOM 1059 CG2 VAL A 68 1.237 1.255 -9.841 1.00 0.00 C ATOM 0 H VAL A 68 -0.536 1.815 -7.894 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.053 -0.167 -9.846 1.00 0.00 H new ATOM 0 HB VAL A 68 1.225 0.249 -7.920 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.567 -1.070 -9.558 1.00 0.00 H new ATOM 0 HG12 VAL A 68 1.253 -2.039 -8.851 1.00 0.00 H new ATOM 0 HG13 VAL A 68 1.089 -1.384 -10.497 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.323 1.330 -9.899 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.830 1.090 -10.839 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.831 2.180 -9.432 1.00 0.00 H new ATOM 1069 N LEU A 69 -1.176 -1.150 -6.693 1.00 0.00 N ATOM 1070 CA LEU A 69 -1.616 -2.190 -5.781 1.00 0.00 C ATOM 1071 C LEU A 69 -3.109 -2.411 -6.069 1.00 0.00 C ATOM 1072 O LEU A 69 -3.534 -3.544 -6.286 1.00 0.00 O ATOM 1073 CB LEU A 69 -1.310 -1.739 -4.339 1.00 0.00 C ATOM 1074 CG LEU A 69 -1.040 -2.849 -3.313 1.00 0.00 C ATOM 1075 CD1 LEU A 69 -2.202 -3.837 -3.232 1.00 0.00 C ATOM 1076 CD2 LEU A 69 0.272 -3.595 -3.586 1.00 0.00 C ATOM 0 H LEU A 69 -0.913 -0.287 -6.216 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.099 -3.141 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.441 -1.081 -4.365 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -2.151 -1.143 -3.983 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.941 -2.350 -2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -1.974 -4.608 -2.496 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.108 -3.309 -2.936 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -2.354 -4.300 -4.207 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.414 -4.369 -2.832 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.231 -4.054 -4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.105 -2.893 -3.547 1.00 0.00 H new ATOM 1088 N VAL A 70 -3.900 -1.326 -6.111 1.00 0.00 N ATOM 1089 CA VAL A 70 -5.326 -1.383 -6.459 1.00 0.00 C ATOM 1090 C VAL A 70 -5.524 -2.151 -7.769 1.00 0.00 C ATOM 1091 O VAL A 70 -6.487 -2.896 -7.917 1.00 0.00 O ATOM 1092 CB VAL A 70 -5.957 0.021 -6.553 1.00 0.00 C ATOM 1093 CG1 VAL A 70 -7.425 -0.042 -7.003 1.00 0.00 C ATOM 1094 CG2 VAL A 70 -5.867 0.737 -5.206 1.00 0.00 C ATOM 0 H VAL A 70 -3.566 -0.385 -5.904 1.00 0.00 H new ATOM 0 HA VAL A 70 -5.837 -1.913 -5.655 1.00 0.00 H new ATOM 0 HB VAL A 70 -5.395 0.578 -7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -7.833 0.967 -7.057 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -7.485 -0.510 -7.986 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.000 -0.628 -6.286 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -6.317 1.726 -5.289 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.399 0.159 -4.450 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -4.821 0.837 -4.916 1.00 0.00 H new ATOM 1104 N LYS A 71 -4.625 -1.981 -8.735 1.00 0.00 N ATOM 1105 CA LYS A 71 -4.711 -2.723 -9.974 1.00 0.00 C ATOM 1106 C LYS A 71 -4.358 -4.194 -9.715 1.00 0.00 C ATOM 1107 O LYS A 71 -5.128 -5.092 -10.054 1.00 0.00 O ATOM 1108 CB LYS A 71 -3.792 -2.054 -11.000 1.00 0.00 C ATOM 1109 CG LYS A 71 -3.899 -2.684 -12.392 1.00 0.00 C ATOM 1110 CD LYS A 71 -2.893 -2.032 -13.347 1.00 0.00 C ATOM 1111 CE LYS A 71 -3.299 -0.608 -13.745 1.00 0.00 C ATOM 1112 NZ LYS A 71 -2.371 -0.045 -14.742 1.00 0.00 N ATOM 0 H LYS A 71 -3.835 -1.338 -8.678 1.00 0.00 H new ATOM 0 HA LYS A 71 -5.723 -2.713 -10.378 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.039 -0.994 -11.066 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -2.760 -2.120 -10.655 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -3.710 -3.756 -12.330 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.911 -2.561 -12.778 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.911 -2.008 -12.874 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -2.800 -2.644 -14.244 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.311 -0.616 -14.151 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -3.315 0.028 -12.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.672 0.919 -14.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -1.410 -0.016 -14.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.375 -0.640 -15.595 1.00 0.00 H new ATOM 1126 N LYS A 72 -3.195 -4.471 -9.120 1.00 0.00 N ATOM 1127 CA LYS A 72 -2.700 -5.802 -8.911 1.00 0.00 C ATOM 1128 C LYS A 72 -3.491 -6.675 -7.940 1.00 0.00 C ATOM 1129 O LYS A 72 -3.315 -7.888 -7.976 1.00 0.00 O ATOM 1130 CB LYS A 72 -1.207 -5.773 -8.628 1.00 0.00 C ATOM 1131 CG LYS A 72 -0.389 -5.291 -9.836 1.00 0.00 C ATOM 1132 CD LYS A 72 1.046 -5.824 -9.737 1.00 0.00 C ATOM 1133 CE LYS A 72 1.883 -5.469 -10.972 1.00 0.00 C ATOM 1134 NZ LYS A 72 2.049 -4.015 -11.129 1.00 0.00 N ATOM 0 H LYS A 72 -2.569 -3.747 -8.768 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.866 -6.324 -9.853 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.014 -5.118 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.875 -6.771 -8.343 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.852 -5.635 -10.761 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.381 -4.202 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.523 -5.414 -8.847 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.022 -6.907 -9.616 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.863 -5.939 -10.892 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.405 -5.877 -11.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.663 -3.822 -11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.120 -3.574 -11.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.482 -3.620 -10.270 1.00 0.00 H new ATOM 1148 N ILE A 73 -4.368 -6.138 -7.092 1.00 0.00 N ATOM 1149 CA ILE A 73 -5.181 -7.013 -6.240 1.00 0.00 C ATOM 1150 C ILE A 73 -6.026 -7.945 -7.121 1.00 0.00 C ATOM 1151 O ILE A 73 -6.326 -9.063 -6.713 1.00 0.00 O ATOM 1152 CB ILE A 73 -6.078 -6.223 -5.277 1.00 0.00 C ATOM 1153 CG1 ILE A 73 -6.704 -5.034 -6.002 1.00 0.00 C ATOM 1154 CG2 ILE A 73 -5.288 -5.737 -4.055 1.00 0.00 C ATOM 1155 CD1 ILE A 73 -8.018 -4.590 -5.383 1.00 0.00 C ATOM 0 H ILE A 73 -4.533 -5.138 -6.976 1.00 0.00 H new ATOM 0 HA ILE A 73 -4.502 -7.603 -5.624 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.867 -6.888 -4.927 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.003 -4.199 -5.993 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.871 -5.298 -7.046 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.950 -5.181 -3.391 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.877 -6.595 -3.522 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.474 -5.090 -4.382 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.415 -3.742 -5.941 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.732 -5.413 -5.416 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -7.851 -4.296 -4.347 1.00 0.00 H new ATOM 1167 N SER A 74 -6.384 -7.521 -8.342 1.00 0.00 N ATOM 1168 CA SER A 74 -7.109 -8.396 -9.262 1.00 0.00 C ATOM 1169 C SER A 74 -6.186 -9.533 -9.725 1.00 0.00 C ATOM 1170 O SER A 74 -6.633 -10.616 -10.088 1.00 0.00 O ATOM 1171 CB SER A 74 -7.605 -7.602 -10.476 1.00 0.00 C ATOM 1172 OG SER A 74 -6.520 -7.121 -11.248 1.00 0.00 O ATOM 0 H SER A 74 -6.185 -6.590 -8.708 1.00 0.00 H new ATOM 0 HA SER A 74 -7.972 -8.816 -8.744 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.242 -8.236 -11.093 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.217 -6.764 -10.141 1.00 0.00 H new ATOM 0 HG SER A 74 -6.021 -6.454 -10.731 1.00 0.00 H new ATOM 1178 N GLN A 75 -4.881 -9.258 -9.707 1.00 0.00 N ATOM 1179 CA GLN A 75 -3.786 -10.114 -10.113 1.00 0.00 C ATOM 1180 C GLN A 75 -3.385 -11.007 -8.943 1.00 0.00 C ATOM 1181 O GLN A 75 -2.372 -11.701 -9.010 1.00 0.00 O ATOM 1182 CB GLN A 75 -2.631 -9.198 -10.575 1.00 0.00 C ATOM 1183 CG GLN A 75 -2.020 -9.656 -11.900 1.00 0.00 C ATOM 1184 CD GLN A 75 -2.960 -9.484 -13.101 1.00 0.00 C ATOM 1185 OE1 GLN A 75 -2.620 -9.864 -14.211 1.00 0.00 O ATOM 1186 NE2 GLN A 75 -4.151 -8.916 -12.936 1.00 0.00 N ATOM 0 H GLN A 75 -4.544 -8.353 -9.379 1.00 0.00 H new ATOM 0 HA GLN A 75 -4.066 -10.772 -10.936 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -3.000 -8.178 -10.681 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -1.857 -9.179 -9.808 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -1.104 -9.093 -12.082 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -1.738 -10.706 -11.817 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -4.440 -8.597 -12.011 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -4.775 -8.800 -13.734 1.00 0.00 H new