USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 440 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 9 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.502 K(o=-0.5,f=-3.6!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 CYS SG : rot 150:sc=0.000986 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 THR OG1 : rot -170:sc= -0.576 USER MOD Single : A 42 SER OG : rot 68:sc= 0.563 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HD1:sc= -0.649 K(o=-0.65,f=-2.5) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 162:sc= -0.103 (180deg=-0.449) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -157:sc= -0.0662 (180deg=-0.448) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.453 14.292 -29.807 1.00 0.00 N ATOM 2 CA GLY A 1 12.415 13.291 -29.648 1.00 0.00 C ATOM 3 C GLY A 1 12.868 12.116 -28.804 1.00 0.00 C ATOM 4 O GLY A 1 13.155 11.040 -29.329 1.00 0.00 O ATOM 0 H1 GLY A 1 13.094 15.074 -30.391 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.730 14.656 -28.873 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.280 13.864 -30.271 1.00 0.00 H new ATOM 0 HA2 GLY A 1 11.540 13.749 -29.187 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.107 12.932 -30.630 1.00 0.00 H new ATOM 8 N SER A 2 12.933 12.321 -27.492 1.00 0.00 N ATOM 9 CA SER A 2 13.360 11.271 -26.574 1.00 0.00 C ATOM 10 C SER A 2 13.221 11.728 -25.125 1.00 0.00 C ATOM 11 O SER A 2 13.764 12.761 -24.733 1.00 0.00 O ATOM 12 CB SER A 2 14.809 10.873 -26.859 1.00 0.00 C ATOM 13 OG SER A 2 15.598 12.009 -27.171 1.00 0.00 O ATOM 0 H SER A 2 12.695 13.204 -27.041 1.00 0.00 H new ATOM 0 HA SER A 2 12.717 10.404 -26.727 1.00 0.00 H new ATOM 0 HB2 SER A 2 15.227 10.363 -25.991 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.839 10.166 -27.688 1.00 0.00 H new ATOM 0 HG SER A 2 16.520 11.728 -27.347 1.00 0.00 H new ATOM 19 N SER A 3 12.489 10.950 -24.334 1.00 0.00 N ATOM 20 CA SER A 3 12.275 11.275 -22.928 1.00 0.00 C ATOM 21 C SER A 3 12.438 10.036 -22.053 1.00 0.00 C ATOM 22 O SER A 3 12.319 8.907 -22.527 1.00 0.00 O ATOM 23 CB SER A 3 10.881 11.874 -22.729 1.00 0.00 C ATOM 24 OG SER A 3 10.834 12.677 -21.562 1.00 0.00 O ATOM 0 H SER A 3 12.034 10.091 -24.642 1.00 0.00 H new ATOM 0 HA SER A 3 13.025 12.009 -22.631 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.612 12.474 -23.598 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.145 11.074 -22.654 1.00 0.00 H new ATOM 0 HG SER A 3 9.934 13.050 -21.457 1.00 0.00 H new ATOM 30 N GLY A 4 12.712 10.257 -20.771 1.00 0.00 N ATOM 31 CA GLY A 4 12.887 9.150 -19.849 1.00 0.00 C ATOM 32 C GLY A 4 11.567 8.582 -19.367 1.00 0.00 C ATOM 33 O GLY A 4 11.139 8.855 -18.245 1.00 0.00 O ATOM 0 H GLY A 4 12.816 11.182 -20.355 1.00 0.00 H new ATOM 0 HA2 GLY A 4 13.461 8.362 -20.337 1.00 0.00 H new ATOM 0 HA3 GLY A 4 13.470 9.485 -18.991 1.00 0.00 H new ATOM 37 N SER A 5 10.920 7.791 -20.216 1.00 0.00 N ATOM 38 CA SER A 5 9.637 7.187 -19.873 1.00 0.00 C ATOM 39 C SER A 5 9.733 5.665 -19.883 1.00 0.00 C ATOM 40 O SER A 5 10.665 5.094 -20.450 1.00 0.00 O ATOM 41 CB SER A 5 8.555 7.648 -20.851 1.00 0.00 C ATOM 42 OG SER A 5 9.116 8.384 -21.923 1.00 0.00 O ATOM 0 H SER A 5 11.263 7.553 -21.147 1.00 0.00 H new ATOM 0 HA SER A 5 9.369 7.510 -18.867 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.020 6.782 -21.241 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.825 8.264 -20.326 1.00 0.00 H new ATOM 0 HG SER A 5 8.404 8.666 -22.535 1.00 0.00 H new ATOM 48 N SER A 6 8.763 5.012 -19.251 1.00 0.00 N ATOM 49 CA SER A 6 8.738 3.556 -19.184 1.00 0.00 C ATOM 50 C SER A 6 9.958 3.027 -18.435 1.00 0.00 C ATOM 51 O SER A 6 10.898 3.769 -18.154 1.00 0.00 O ATOM 52 CB SER A 6 8.692 2.960 -20.592 1.00 0.00 C ATOM 53 OG SER A 6 7.660 1.994 -20.703 1.00 0.00 O ATOM 0 H SER A 6 7.984 5.469 -18.778 1.00 0.00 H new ATOM 0 HA SER A 6 7.841 3.257 -18.642 1.00 0.00 H new ATOM 0 HB2 SER A 6 8.531 3.754 -21.321 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.652 2.500 -20.827 1.00 0.00 H new ATOM 0 HG SER A 6 7.650 1.629 -21.612 1.00 0.00 H new ATOM 59 N GLY A 7 9.934 1.736 -18.115 1.00 0.00 N ATOM 60 CA GLY A 7 11.042 1.128 -17.402 1.00 0.00 C ATOM 61 C GLY A 7 10.748 0.938 -15.927 1.00 0.00 C ATOM 62 O GLY A 7 9.765 1.467 -15.409 1.00 0.00 O ATOM 0 H GLY A 7 9.167 1.101 -18.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 11.272 0.162 -17.851 1.00 0.00 H new ATOM 0 HA3 GLY A 7 11.929 1.752 -17.515 1.00 0.00 H new ATOM 66 N PHE A 8 11.601 0.178 -15.249 1.00 0.00 N ATOM 67 CA PHE A 8 11.426 -0.084 -13.825 1.00 0.00 C ATOM 68 C PHE A 8 12.389 0.760 -12.994 1.00 0.00 C ATOM 69 O PHE A 8 13.552 0.934 -13.358 1.00 0.00 O ATOM 70 CB PHE A 8 11.646 -1.569 -13.527 1.00 0.00 C ATOM 71 CG PHE A 8 10.369 -2.344 -13.372 1.00 0.00 C ATOM 72 CD1 PHE A 8 9.436 -2.380 -14.395 1.00 0.00 C ATOM 73 CD2 PHE A 8 10.102 -3.038 -12.202 1.00 0.00 C ATOM 74 CE1 PHE A 8 8.259 -3.091 -14.255 1.00 0.00 C ATOM 75 CE2 PHE A 8 8.927 -3.752 -12.056 1.00 0.00 C ATOM 76 CZ PHE A 8 8.005 -3.779 -13.084 1.00 0.00 C ATOM 0 H PHE A 8 12.420 -0.267 -15.662 1.00 0.00 H new ATOM 0 HA PHE A 8 10.406 0.187 -13.554 1.00 0.00 H new ATOM 0 HB2 PHE A 8 12.234 -2.010 -14.332 1.00 0.00 H new ATOM 0 HB3 PHE A 8 12.233 -1.665 -12.614 1.00 0.00 H new ATOM 0 HD1 PHE A 8 9.631 -1.846 -15.313 1.00 0.00 H new ATOM 0 HD2 PHE A 8 10.820 -3.021 -11.395 1.00 0.00 H new ATOM 0 HE1 PHE A 8 7.539 -3.109 -15.060 1.00 0.00 H new ATOM 0 HE2 PHE A 8 8.730 -4.288 -11.139 1.00 0.00 H new ATOM 0 HZ PHE A 8 7.087 -4.337 -12.973 1.00 0.00 H new ATOM 86 N SER A 9 11.894 1.284 -11.877 1.00 0.00 N ATOM 87 CA SER A 9 12.707 2.114 -10.997 1.00 0.00 C ATOM 88 C SER A 9 12.594 1.645 -9.550 1.00 0.00 C ATOM 89 O SER A 9 11.509 1.305 -9.078 1.00 0.00 O ATOM 90 CB SER A 9 12.280 3.580 -11.104 1.00 0.00 C ATOM 91 OG SER A 9 11.357 3.918 -10.084 1.00 0.00 O ATOM 0 H SER A 9 10.934 1.148 -11.560 1.00 0.00 H new ATOM 0 HA SER A 9 13.747 2.022 -11.311 1.00 0.00 H new ATOM 0 HB2 SER A 9 13.157 4.224 -11.033 1.00 0.00 H new ATOM 0 HB3 SER A 9 11.830 3.761 -12.080 1.00 0.00 H new ATOM 0 HG SER A 9 11.101 4.860 -10.173 1.00 0.00 H new ATOM 97 N LYS A 10 13.723 1.628 -8.850 1.00 0.00 N ATOM 98 CA LYS A 10 13.753 1.202 -7.455 1.00 0.00 C ATOM 99 C LYS A 10 13.206 2.293 -6.541 1.00 0.00 C ATOM 100 O LYS A 10 13.870 3.300 -6.290 1.00 0.00 O ATOM 101 CB LYS A 10 15.183 0.844 -7.041 1.00 0.00 C ATOM 102 CG LYS A 10 15.421 -0.650 -6.908 1.00 0.00 C ATOM 103 CD LYS A 10 15.556 -1.065 -5.452 1.00 0.00 C ATOM 104 CE LYS A 10 16.109 -2.476 -5.324 1.00 0.00 C ATOM 105 NZ LYS A 10 17.504 -2.480 -4.803 1.00 0.00 N ATOM 0 H LYS A 10 14.630 1.904 -9.226 1.00 0.00 H new ATOM 0 HA LYS A 10 13.121 0.320 -7.357 1.00 0.00 H new ATOM 0 HB2 LYS A 10 15.878 1.250 -7.776 1.00 0.00 H new ATOM 0 HB3 LYS A 10 15.408 1.326 -6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 10 14.595 -1.193 -7.367 1.00 0.00 H new ATOM 0 HG3 LYS A 10 16.325 -0.925 -7.451 1.00 0.00 H new ATOM 0 HD2 LYS A 10 16.213 -0.367 -4.933 1.00 0.00 H new ATOM 0 HD3 LYS A 10 14.583 -1.009 -4.965 1.00 0.00 H new ATOM 0 HE2 LYS A 10 15.471 -3.057 -4.658 1.00 0.00 H new ATOM 0 HE3 LYS A 10 16.084 -2.966 -6.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 17.845 -3.460 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 18.118 -1.947 -5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 17.525 -2.036 -3.863 1.00 0.00 H new ATOM 119 N THR A 11 11.991 2.087 -6.043 1.00 0.00 N ATOM 120 CA THR A 11 11.354 3.052 -5.156 1.00 0.00 C ATOM 121 C THR A 11 10.629 2.353 -4.012 1.00 0.00 C ATOM 122 O THR A 11 9.604 2.834 -3.529 1.00 0.00 O ATOM 123 CB THR A 11 10.351 3.939 -5.918 1.00 0.00 C ATOM 124 OG1 THR A 11 10.588 3.847 -7.327 1.00 0.00 O ATOM 125 CG2 THR A 11 10.466 5.390 -5.474 1.00 0.00 C ATOM 0 H THR A 11 11.428 1.259 -6.239 1.00 0.00 H new ATOM 0 HA THR A 11 12.148 3.679 -4.750 1.00 0.00 H new ATOM 0 HB THR A 11 9.344 3.585 -5.695 1.00 0.00 H new ATOM 0 HG1 THR A 11 9.945 4.412 -7.804 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.748 5.997 -6.026 1.00 0.00 H new ATOM 0 HG22 THR A 11 10.257 5.462 -4.407 1.00 0.00 H new ATOM 0 HG23 THR A 11 11.475 5.752 -5.671 1.00 0.00 H new ATOM 133 N GLN A 12 11.168 1.217 -3.582 1.00 0.00 N ATOM 134 CA GLN A 12 10.572 0.452 -2.493 1.00 0.00 C ATOM 135 C GLN A 12 11.647 -0.119 -1.575 1.00 0.00 C ATOM 136 O GLN A 12 11.862 -1.330 -1.533 1.00 0.00 O ATOM 137 CB GLN A 12 9.707 -0.680 -3.051 1.00 0.00 C ATOM 138 CG GLN A 12 8.806 -0.249 -4.197 1.00 0.00 C ATOM 139 CD GLN A 12 9.485 -0.361 -5.548 1.00 0.00 C ATOM 140 OE1 GLN A 12 10.663 -0.705 -5.636 1.00 0.00 O ATOM 141 NE2 GLN A 12 8.743 -0.069 -6.610 1.00 0.00 N ATOM 0 H GLN A 12 12.017 0.806 -3.971 1.00 0.00 H new ATOM 0 HA GLN A 12 9.945 1.127 -1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.355 -1.487 -3.393 1.00 0.00 H new ATOM 0 HB3 GLN A 12 9.091 -1.085 -2.248 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.905 -0.862 -4.196 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.490 0.782 -4.038 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.770 0.212 -6.491 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.146 -0.126 -7.545 1.00 0.00 H new ATOM 150 N ARG A 13 12.321 0.761 -0.842 1.00 0.00 N ATOM 151 CA ARG A 13 13.375 0.345 0.074 1.00 0.00 C ATOM 152 C ARG A 13 13.192 0.991 1.444 1.00 0.00 C ATOM 153 O ARG A 13 12.217 1.706 1.679 1.00 0.00 O ATOM 154 CB ARG A 13 14.748 0.710 -0.495 1.00 0.00 C ATOM 155 CG ARG A 13 14.820 2.122 -1.052 1.00 0.00 C ATOM 156 CD ARG A 13 16.196 2.425 -1.624 1.00 0.00 C ATOM 157 NE ARG A 13 16.490 3.856 -1.614 1.00 0.00 N ATOM 158 CZ ARG A 13 15.985 4.716 -2.492 1.00 0.00 C ATOM 159 NH1 ARG A 13 15.165 4.292 -3.443 1.00 0.00 N ATOM 160 NH2 ARG A 13 16.299 6.003 -2.418 1.00 0.00 N ATOM 0 H ARG A 13 12.155 1.767 -0.865 1.00 0.00 H new ATOM 0 HA ARG A 13 13.314 -0.737 0.191 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.498 0.599 0.288 1.00 0.00 H new ATOM 0 HB3 ARG A 13 15.004 0.003 -1.284 1.00 0.00 H new ATOM 0 HG2 ARG A 13 14.066 2.247 -1.829 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.587 2.838 -0.264 1.00 0.00 H new ATOM 0 HD2 ARG A 13 16.953 1.895 -1.046 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.254 2.050 -2.646 1.00 0.00 H new ATOM 0 HE ARG A 13 17.117 4.214 -0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 13 14.920 3.304 -3.502 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.779 4.954 -4.116 1.00 0.00 H new ATOM 0 HH21 ARG A 13 16.929 6.333 -1.687 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.911 6.662 -3.093 1.00 0.00 H new ATOM 174 N TRP A 14 14.135 0.735 2.344 1.00 0.00 N ATOM 175 CA TRP A 14 14.077 1.292 3.691 1.00 0.00 C ATOM 176 C TRP A 14 14.020 2.815 3.648 1.00 0.00 C ATOM 177 O TRP A 14 14.985 3.471 3.255 1.00 0.00 O ATOM 178 CB TRP A 14 15.289 0.837 4.505 1.00 0.00 C ATOM 179 CG TRP A 14 15.381 -0.651 4.652 1.00 0.00 C ATOM 180 CD1 TRP A 14 16.198 -1.495 3.954 1.00 0.00 C ATOM 181 CD2 TRP A 14 14.628 -1.472 5.552 1.00 0.00 C ATOM 182 NE1 TRP A 14 15.997 -2.791 4.366 1.00 0.00 N ATOM 183 CE2 TRP A 14 15.040 -2.803 5.346 1.00 0.00 C ATOM 184 CE3 TRP A 14 13.648 -1.212 6.513 1.00 0.00 C ATOM 185 CZ2 TRP A 14 14.504 -3.868 6.065 1.00 0.00 C ATOM 186 CZ3 TRP A 14 13.116 -2.269 7.226 1.00 0.00 C ATOM 187 CH2 TRP A 14 13.546 -3.584 7.000 1.00 0.00 C ATOM 0 H TRP A 14 14.948 0.146 2.166 1.00 0.00 H new ATOM 0 HA TRP A 14 13.169 0.927 4.170 1.00 0.00 H new ATOM 0 HB2 TRP A 14 16.197 1.205 4.027 1.00 0.00 H new ATOM 0 HB3 TRP A 14 15.244 1.291 5.495 1.00 0.00 H new ATOM 0 HD1 TRP A 14 16.898 -1.189 3.191 1.00 0.00 H new ATOM 0 HE1 TRP A 14 16.482 -3.611 4.001 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.312 -0.202 6.695 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 14.833 -4.882 5.891 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 12.356 -2.079 7.970 1.00 0.00 H new ATOM 0 HH2 TRP A 14 13.113 -4.389 7.575 1.00 0.00 H new ATOM 198 N ALA A 15 12.884 3.372 4.055 1.00 0.00 N ATOM 199 CA ALA A 15 12.703 4.818 4.065 1.00 0.00 C ATOM 200 C ALA A 15 12.994 5.398 5.445 1.00 0.00 C ATOM 201 O ALA A 15 13.222 4.660 6.403 1.00 0.00 O ATOM 202 CB ALA A 15 11.291 5.177 3.627 1.00 0.00 C ATOM 0 H ALA A 15 12.075 2.843 4.382 1.00 0.00 H new ATOM 0 HA ALA A 15 13.412 5.252 3.360 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.171 6.260 3.639 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.117 4.804 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.572 4.724 4.310 1.00 0.00 H new ATOM 208 N GLU A 16 12.985 6.724 5.539 1.00 0.00 N ATOM 209 CA GLU A 16 13.250 7.402 6.802 1.00 0.00 C ATOM 210 C GLU A 16 12.052 7.291 7.741 1.00 0.00 C ATOM 211 O GLU A 16 10.927 7.017 7.322 1.00 0.00 O ATOM 212 CB GLU A 16 13.585 8.875 6.556 1.00 0.00 C ATOM 213 CG GLU A 16 15.071 9.182 6.632 1.00 0.00 C ATOM 214 CD GLU A 16 15.687 9.425 5.268 1.00 0.00 C ATOM 215 OE1 GLU A 16 15.833 8.451 4.500 1.00 0.00 O ATOM 216 OE2 GLU A 16 16.022 10.590 4.968 1.00 0.00 O ATOM 0 H GLU A 16 12.797 7.350 4.756 1.00 0.00 H new ATOM 0 HA GLU A 16 14.105 6.917 7.273 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.213 9.164 5.573 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.058 9.486 7.289 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.225 10.061 7.258 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.585 8.352 7.116 1.00 0.00 H new ATOM 223 N PRO A 17 12.298 7.509 9.041 1.00 0.00 N ATOM 224 CA PRO A 17 11.252 7.439 10.067 1.00 0.00 C ATOM 225 C PRO A 17 10.259 8.591 9.961 1.00 0.00 C ATOM 226 O PRO A 17 9.234 8.604 10.641 1.00 0.00 O ATOM 227 CB PRO A 17 12.036 7.527 11.379 1.00 0.00 C ATOM 228 CG PRO A 17 13.291 8.246 11.022 1.00 0.00 C ATOM 229 CD PRO A 17 13.615 7.840 9.611 1.00 0.00 C ATOM 0 HA PRO A 17 10.650 6.535 9.975 1.00 0.00 H new ATOM 0 HB2 PRO A 17 11.474 8.067 12.141 1.00 0.00 H new ATOM 0 HB3 PRO A 17 12.248 6.536 11.781 1.00 0.00 H new ATOM 0 HG2 PRO A 17 13.157 9.325 11.096 1.00 0.00 H new ATOM 0 HG3 PRO A 17 14.101 7.978 11.701 1.00 0.00 H new ATOM 0 HD2 PRO A 17 14.099 8.647 9.062 1.00 0.00 H new ATOM 0 HD3 PRO A 17 14.291 6.985 9.584 1.00 0.00 H new ATOM 237 N GLY A 18 10.569 9.557 9.102 1.00 0.00 N ATOM 238 CA GLY A 18 9.693 10.700 8.923 1.00 0.00 C ATOM 239 C GLY A 18 8.959 10.666 7.598 1.00 0.00 C ATOM 240 O GLY A 18 7.902 11.279 7.451 1.00 0.00 O ATOM 0 H GLY A 18 11.411 9.568 8.527 1.00 0.00 H new ATOM 0 HA2 GLY A 18 8.968 10.729 9.736 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.279 11.617 8.987 1.00 0.00 H new ATOM 244 N GLU A 19 9.521 9.949 6.630 1.00 0.00 N ATOM 245 CA GLU A 19 8.913 9.840 5.309 1.00 0.00 C ATOM 246 C GLU A 19 7.809 8.787 5.303 1.00 0.00 C ATOM 247 O GLU A 19 7.746 7.912 6.167 1.00 0.00 O ATOM 248 CB GLU A 19 9.973 9.489 4.263 1.00 0.00 C ATOM 249 CG GLU A 19 10.424 10.677 3.430 1.00 0.00 C ATOM 250 CD GLU A 19 10.630 11.928 4.262 1.00 0.00 C ATOM 251 OE1 GLU A 19 11.406 11.868 5.239 1.00 0.00 O ATOM 252 OE2 GLU A 19 10.017 12.966 3.937 1.00 0.00 O ATOM 0 H GLU A 19 10.396 9.435 6.736 1.00 0.00 H new ATOM 0 HA GLU A 19 8.472 10.805 5.060 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.839 9.059 4.766 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.576 8.721 3.600 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.355 10.427 2.921 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.682 10.877 2.657 1.00 0.00 H new ATOM 259 N PRO A 20 6.915 8.873 4.307 1.00 0.00 N ATOM 260 CA PRO A 20 5.796 7.936 4.164 1.00 0.00 C ATOM 261 C PRO A 20 6.258 6.540 3.761 1.00 0.00 C ATOM 262 O PRO A 20 7.277 6.382 3.089 1.00 0.00 O ATOM 263 CB PRO A 20 4.951 8.561 3.052 1.00 0.00 C ATOM 264 CG PRO A 20 5.911 9.380 2.260 1.00 0.00 C ATOM 265 CD PRO A 20 6.929 9.890 3.242 1.00 0.00 C ATOM 0 HA PRO A 20 5.257 7.798 5.101 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.481 7.796 2.435 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.150 9.176 3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.385 8.782 1.482 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.402 10.205 1.762 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.915 9.982 2.787 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.661 10.875 3.624 1.00 0.00 H new ATOM 273 N ILE A 21 5.501 5.529 4.176 1.00 0.00 N ATOM 274 CA ILE A 21 5.832 4.146 3.857 1.00 0.00 C ATOM 275 C ILE A 21 4.591 3.369 3.431 1.00 0.00 C ATOM 276 O ILE A 21 3.497 3.588 3.952 1.00 0.00 O ATOM 277 CB ILE A 21 6.484 3.432 5.056 1.00 0.00 C ATOM 278 CG1 ILE A 21 7.774 4.148 5.463 1.00 0.00 C ATOM 279 CG2 ILE A 21 6.765 1.976 4.716 1.00 0.00 C ATOM 280 CD1 ILE A 21 8.187 3.881 6.894 1.00 0.00 C ATOM 0 H ILE A 21 4.655 5.642 4.734 1.00 0.00 H new ATOM 0 HA ILE A 21 6.543 4.174 3.031 1.00 0.00 H new ATOM 0 HB ILE A 21 5.793 3.461 5.898 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.579 3.837 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.643 5.221 5.325 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.226 1.485 5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.830 1.473 4.469 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.441 1.926 3.862 1.00 0.00 H new ATOM 0 HD11 ILE A 21 9.109 4.420 7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.400 4.218 7.569 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.350 2.812 7.032 1.00 0.00 H new ATOM 292 N CYS A 22 4.769 2.457 2.480 1.00 0.00 N ATOM 293 CA CYS A 22 3.665 1.645 1.983 1.00 0.00 C ATOM 294 C CYS A 22 2.902 1.000 3.137 1.00 0.00 C ATOM 295 O CYS A 22 3.499 0.537 4.109 1.00 0.00 O ATOM 296 CB CYS A 22 4.187 0.563 1.035 1.00 0.00 C ATOM 297 SG CYS A 22 3.041 0.145 -0.318 1.00 0.00 S ATOM 0 H CYS A 22 5.668 2.262 2.039 1.00 0.00 H new ATOM 0 HA CYS A 22 2.983 2.298 1.439 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.132 0.896 0.606 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.397 -0.339 1.610 1.00 0.00 H new ATOM 302 N VAL A 23 1.578 0.972 3.022 1.00 0.00 N ATOM 303 CA VAL A 23 0.733 0.383 4.053 1.00 0.00 C ATOM 304 C VAL A 23 0.438 -1.082 3.752 1.00 0.00 C ATOM 305 O VAL A 23 -0.239 -1.761 4.523 1.00 0.00 O ATOM 306 CB VAL A 23 -0.598 1.146 4.191 1.00 0.00 C ATOM 307 CG1 VAL A 23 -0.368 2.514 4.814 1.00 0.00 C ATOM 308 CG2 VAL A 23 -1.281 1.274 2.838 1.00 0.00 C ATOM 0 H VAL A 23 1.068 1.351 2.224 1.00 0.00 H new ATOM 0 HA VAL A 23 1.283 0.454 4.991 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.255 0.580 4.851 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.320 3.038 4.903 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.074 2.394 5.803 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.307 3.092 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.220 1.816 2.954 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.631 1.817 2.152 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.482 0.281 2.437 1.00 0.00 H new ATOM 318 N VAL A 24 0.952 -1.563 2.624 1.00 0.00 N ATOM 319 CA VAL A 24 0.745 -2.949 2.221 1.00 0.00 C ATOM 320 C VAL A 24 2.074 -3.681 2.068 1.00 0.00 C ATOM 321 O VAL A 24 2.150 -4.896 2.250 1.00 0.00 O ATOM 322 CB VAL A 24 -0.032 -3.037 0.894 1.00 0.00 C ATOM 323 CG1 VAL A 24 -1.456 -2.533 1.074 1.00 0.00 C ATOM 324 CG2 VAL A 24 0.685 -2.255 -0.196 1.00 0.00 C ATOM 0 H VAL A 24 1.514 -1.014 1.974 1.00 0.00 H new ATOM 0 HA VAL A 24 0.160 -3.424 3.009 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.078 -4.082 0.589 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.989 -2.603 0.126 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.965 -3.140 1.822 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.435 -1.494 1.403 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.122 -2.328 -1.127 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.764 -1.209 0.099 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.683 -2.667 -0.343 1.00 0.00 H new ATOM 334 N CYS A 25 3.120 -2.933 1.735 1.00 0.00 N ATOM 335 CA CYS A 25 4.448 -3.509 1.557 1.00 0.00 C ATOM 336 C CYS A 25 5.283 -3.351 2.825 1.00 0.00 C ATOM 337 O CYS A 25 5.430 -4.291 3.605 1.00 0.00 O ATOM 338 CB CYS A 25 5.161 -2.846 0.377 1.00 0.00 C ATOM 339 SG CYS A 25 4.356 -3.130 -1.232 1.00 0.00 S ATOM 0 H CYS A 25 3.074 -1.925 1.583 1.00 0.00 H new ATOM 0 HA CYS A 25 4.331 -4.573 1.350 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.219 -1.773 0.558 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.185 -3.217 0.330 1.00 0.00 H new ATOM 344 N GLY A 26 5.827 -2.154 3.022 1.00 0.00 N ATOM 345 CA GLY A 26 6.641 -1.894 4.196 1.00 0.00 C ATOM 346 C GLY A 26 8.035 -1.418 3.841 1.00 0.00 C ATOM 347 O GLY A 26 9.026 -1.942 4.351 1.00 0.00 O ATOM 0 H GLY A 26 5.719 -1.360 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.151 -1.143 4.815 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.712 -2.803 4.794 1.00 0.00 H new ATOM 351 N ARG A 27 8.114 -0.424 2.963 1.00 0.00 N ATOM 352 CA ARG A 27 9.398 0.120 2.538 1.00 0.00 C ATOM 353 C ARG A 27 9.341 1.642 2.449 1.00 0.00 C ATOM 354 O ARG A 27 9.931 2.345 3.270 1.00 0.00 O ATOM 355 CB ARG A 27 9.801 -0.466 1.183 1.00 0.00 C ATOM 356 CG ARG A 27 10.031 -1.968 1.214 1.00 0.00 C ATOM 357 CD ARG A 27 9.063 -2.698 0.295 1.00 0.00 C ATOM 358 NE ARG A 27 9.693 -3.833 -0.373 1.00 0.00 N ATOM 359 CZ ARG A 27 9.150 -4.474 -1.402 1.00 0.00 C ATOM 360 NH1 ARG A 27 7.973 -4.093 -1.878 1.00 0.00 N ATOM 361 NH2 ARG A 27 9.785 -5.499 -1.957 1.00 0.00 N ATOM 0 H ARG A 27 7.304 0.021 2.532 1.00 0.00 H new ATOM 0 HA ARG A 27 10.145 -0.156 3.282 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.023 -0.241 0.453 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.711 0.026 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.056 -2.187 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.913 -2.334 2.234 1.00 0.00 H new ATOM 0 HD2 ARG A 27 8.208 -3.047 0.873 1.00 0.00 H new ATOM 0 HD3 ARG A 27 8.680 -2.004 -0.453 1.00 0.00 H new ATOM 0 HE ARG A 27 10.600 -4.151 -0.031 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.482 -3.306 -1.454 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.558 -4.587 -2.668 1.00 0.00 H new ATOM 0 HH21 ARG A 27 10.691 -5.795 -1.593 1.00 0.00 H new ATOM 0 HH22 ARG A 27 9.367 -5.991 -2.747 1.00 0.00 H new ATOM 375 N TYR A 28 8.628 2.145 1.447 1.00 0.00 N ATOM 376 CA TYR A 28 8.496 3.583 1.249 1.00 0.00 C ATOM 377 C TYR A 28 7.220 3.912 0.480 1.00 0.00 C ATOM 378 O TYR A 28 6.755 3.123 -0.342 1.00 0.00 O ATOM 379 CB TYR A 28 9.712 4.130 0.499 1.00 0.00 C ATOM 380 CG TYR A 28 9.602 5.598 0.156 1.00 0.00 C ATOM 381 CD1 TYR A 28 9.450 6.555 1.152 1.00 0.00 C ATOM 382 CD2 TYR A 28 9.652 6.029 -1.164 1.00 0.00 C ATOM 383 CE1 TYR A 28 9.349 7.898 0.843 1.00 0.00 C ATOM 384 CE2 TYR A 28 9.553 7.370 -1.482 1.00 0.00 C ATOM 385 CZ TYR A 28 9.401 8.300 -0.475 1.00 0.00 C ATOM 386 OH TYR A 28 9.302 9.637 -0.787 1.00 0.00 O ATOM 0 H TYR A 28 8.133 1.578 0.759 1.00 0.00 H new ATOM 0 HA TYR A 28 8.440 4.055 2.230 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.604 3.973 1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.848 3.560 -0.420 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.410 6.244 2.185 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.770 5.303 -1.955 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.230 8.629 1.629 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.594 7.688 -2.513 1.00 0.00 H new ATOM 0 HH TYR A 28 9.358 9.751 -1.759 1.00 0.00 H new ATOM 396 N GLY A 29 6.658 5.086 0.753 1.00 0.00 N ATOM 397 CA GLY A 29 5.442 5.501 0.079 1.00 0.00 C ATOM 398 C GLY A 29 5.619 6.792 -0.696 1.00 0.00 C ATOM 399 O GLY A 29 5.112 7.838 -0.295 1.00 0.00 O ATOM 0 H GLY A 29 7.023 5.757 1.429 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.121 4.713 -0.602 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.648 5.629 0.815 1.00 0.00 H new ATOM 403 N GLU A 30 6.344 6.717 -1.808 1.00 0.00 N ATOM 404 CA GLU A 30 6.589 7.891 -2.639 1.00 0.00 C ATOM 405 C GLU A 30 5.275 8.546 -3.056 1.00 0.00 C ATOM 406 O GLU A 30 5.228 9.745 -3.333 1.00 0.00 O ATOM 407 CB GLU A 30 7.395 7.504 -3.881 1.00 0.00 C ATOM 408 CG GLU A 30 8.077 8.683 -4.555 1.00 0.00 C ATOM 409 CD GLU A 30 8.641 8.330 -5.917 1.00 0.00 C ATOM 410 OE1 GLU A 30 8.111 7.396 -6.555 1.00 0.00 O ATOM 411 OE2 GLU A 30 9.612 8.988 -6.346 1.00 0.00 O ATOM 0 H GLU A 30 6.771 5.858 -2.154 1.00 0.00 H new ATOM 0 HA GLU A 30 7.162 8.608 -2.051 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.150 6.770 -3.600 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.732 7.020 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.362 9.499 -4.662 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.882 9.046 -3.916 1.00 0.00 H new ATOM 418 N TYR A 31 4.212 7.752 -3.098 1.00 0.00 N ATOM 419 CA TYR A 31 2.898 8.253 -3.484 1.00 0.00 C ATOM 420 C TYR A 31 1.965 8.318 -2.279 1.00 0.00 C ATOM 421 O TYR A 31 2.069 7.511 -1.354 1.00 0.00 O ATOM 422 CB TYR A 31 2.288 7.363 -4.568 1.00 0.00 C ATOM 423 CG TYR A 31 3.177 7.187 -5.778 1.00 0.00 C ATOM 424 CD1 TYR A 31 3.868 8.263 -6.320 1.00 0.00 C ATOM 425 CD2 TYR A 31 3.328 5.942 -6.378 1.00 0.00 C ATOM 426 CE1 TYR A 31 4.681 8.107 -7.426 1.00 0.00 C ATOM 427 CE2 TYR A 31 4.140 5.776 -7.483 1.00 0.00 C ATOM 428 CZ TYR A 31 4.814 6.861 -8.004 1.00 0.00 C ATOM 429 OH TYR A 31 5.624 6.700 -9.104 1.00 0.00 O ATOM 0 H TYR A 31 4.234 6.758 -2.869 1.00 0.00 H new ATOM 0 HA TYR A 31 3.023 9.261 -3.879 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.070 6.384 -4.142 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.337 7.791 -4.885 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.768 9.239 -5.869 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.802 5.090 -5.973 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.209 8.955 -7.836 1.00 0.00 H new ATOM 0 HE2 TYR A 31 4.247 4.802 -7.937 1.00 0.00 H new ATOM 0 HH TYR A 31 5.608 5.762 -9.387 1.00 0.00 H new ATOM 439 N ILE A 32 1.053 9.284 -2.297 1.00 0.00 N ATOM 440 CA ILE A 32 0.099 9.454 -1.207 1.00 0.00 C ATOM 441 C ILE A 32 -1.289 9.795 -1.740 1.00 0.00 C ATOM 442 O ILE A 32 -1.454 10.738 -2.515 1.00 0.00 O ATOM 443 CB ILE A 32 0.548 10.560 -0.234 1.00 0.00 C ATOM 444 CG1 ILE A 32 1.874 10.178 0.429 1.00 0.00 C ATOM 445 CG2 ILE A 32 -0.524 10.808 0.817 1.00 0.00 C ATOM 446 CD1 ILE A 32 3.086 10.759 -0.266 1.00 0.00 C ATOM 0 H ILE A 32 0.954 9.961 -3.054 1.00 0.00 H new ATOM 0 HA ILE A 32 0.058 8.505 -0.672 1.00 0.00 H new ATOM 0 HB ILE A 32 0.697 11.481 -0.797 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.863 10.515 1.466 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.962 9.092 0.448 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.192 11.592 1.497 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.448 11.118 0.328 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.701 9.891 1.379 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.990 10.447 0.258 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.121 10.402 -1.295 1.00 0.00 H new ATOM 0 HD13 ILE A 32 3.021 11.847 -0.262 1.00 0.00 H new ATOM 458 N CYS A 33 -2.284 9.022 -1.318 1.00 0.00 N ATOM 459 CA CYS A 33 -3.659 9.242 -1.751 1.00 0.00 C ATOM 460 C CYS A 33 -4.222 10.524 -1.145 1.00 0.00 C ATOM 461 O CYS A 33 -3.517 11.255 -0.449 1.00 0.00 O ATOM 462 CB CYS A 33 -4.535 8.051 -1.361 1.00 0.00 C ATOM 463 SG CYS A 33 -5.682 7.523 -2.655 1.00 0.00 S ATOM 0 H CYS A 33 -2.164 8.238 -0.677 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.660 9.344 -2.836 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -3.892 7.212 -1.096 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.105 8.310 -0.469 1.00 0.00 H new ATOM 0 HG CYS A 33 -5.896 6.245 -2.550 1.00 0.00 H new ATOM 469 N ASP A 34 -5.495 10.790 -1.415 1.00 0.00 N ATOM 470 CA ASP A 34 -6.153 11.984 -0.896 1.00 0.00 C ATOM 471 C ASP A 34 -7.192 11.617 0.159 1.00 0.00 C ATOM 472 O ASP A 34 -7.173 12.140 1.273 1.00 0.00 O ATOM 473 CB ASP A 34 -6.816 12.761 -2.034 1.00 0.00 C ATOM 474 CG ASP A 34 -5.824 13.592 -2.823 1.00 0.00 C ATOM 475 OD1 ASP A 34 -4.749 13.060 -3.172 1.00 0.00 O ATOM 476 OD2 ASP A 34 -6.122 14.774 -3.093 1.00 0.00 O ATOM 0 H ASP A 34 -6.092 10.195 -1.990 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.395 12.613 -0.430 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.315 12.062 -2.705 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.587 13.413 -1.624 1.00 0.00 H new ATOM 481 N LYS A 35 -8.098 10.714 -0.200 1.00 0.00 N ATOM 482 CA LYS A 35 -9.146 10.276 0.715 1.00 0.00 C ATOM 483 C LYS A 35 -8.553 9.835 2.050 1.00 0.00 C ATOM 484 O LYS A 35 -8.654 10.544 3.051 1.00 0.00 O ATOM 485 CB LYS A 35 -9.945 9.127 0.095 1.00 0.00 C ATOM 486 CG LYS A 35 -10.882 9.568 -1.015 1.00 0.00 C ATOM 487 CD LYS A 35 -11.677 8.399 -1.572 1.00 0.00 C ATOM 488 CE LYS A 35 -11.697 8.412 -3.093 1.00 0.00 C ATOM 489 NZ LYS A 35 -11.916 7.051 -3.657 1.00 0.00 N ATOM 0 H LYS A 35 -8.128 10.271 -1.118 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.813 11.119 0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.251 8.385 -0.300 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.526 8.637 0.876 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.567 10.326 -0.635 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.306 10.032 -1.816 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.243 7.463 -1.221 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.698 8.439 -1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.485 9.080 -3.440 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.754 8.812 -3.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.923 7.103 -4.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.150 6.419 -3.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.828 6.679 -3.323 1.00 0.00 H new ATOM 503 N THR A 36 -7.933 8.659 2.057 1.00 0.00 N ATOM 504 CA THR A 36 -7.324 8.124 3.268 1.00 0.00 C ATOM 505 C THR A 36 -5.978 8.783 3.544 1.00 0.00 C ATOM 506 O THR A 36 -5.464 8.724 4.662 1.00 0.00 O ATOM 507 CB THR A 36 -7.126 6.599 3.171 1.00 0.00 C ATOM 508 OG1 THR A 36 -6.086 6.299 2.234 1.00 0.00 O ATOM 509 CG2 THR A 36 -8.415 5.912 2.743 1.00 0.00 C ATOM 0 H THR A 36 -7.840 8.059 1.237 1.00 0.00 H new ATOM 0 HA THR A 36 -8.007 8.343 4.088 1.00 0.00 H new ATOM 0 HB THR A 36 -6.845 6.228 4.157 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.072 5.335 2.059 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.251 4.836 2.681 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.197 6.118 3.473 1.00 0.00 H new ATOM 0 HG23 THR A 36 -8.721 6.289 1.767 1.00 0.00 H new ATOM 517 N ASP A 37 -5.411 9.411 2.520 1.00 0.00 N ATOM 518 CA ASP A 37 -4.124 10.083 2.653 1.00 0.00 C ATOM 519 C ASP A 37 -3.020 9.084 2.986 1.00 0.00 C ATOM 520 O ASP A 37 -1.938 9.465 3.430 1.00 0.00 O ATOM 521 CB ASP A 37 -4.197 11.161 3.736 1.00 0.00 C ATOM 522 CG ASP A 37 -5.398 12.070 3.568 1.00 0.00 C ATOM 523 OD1 ASP A 37 -6.480 11.727 4.089 1.00 0.00 O ATOM 524 OD2 ASP A 37 -5.256 13.125 2.916 1.00 0.00 O ATOM 0 H ASP A 37 -5.823 9.469 1.588 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.888 10.553 1.698 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.239 10.685 4.716 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.286 11.759 3.711 1.00 0.00 H new ATOM 529 N GLU A 38 -3.303 7.803 2.768 1.00 0.00 N ATOM 530 CA GLU A 38 -2.335 6.749 3.047 1.00 0.00 C ATOM 531 C GLU A 38 -1.086 6.917 2.187 1.00 0.00 C ATOM 532 O GLU A 38 -0.947 7.901 1.460 1.00 0.00 O ATOM 533 CB GLU A 38 -2.958 5.374 2.799 1.00 0.00 C ATOM 534 CG GLU A 38 -3.117 4.541 4.059 1.00 0.00 C ATOM 535 CD GLU A 38 -4.138 5.123 5.018 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.626 6.242 4.756 1.00 0.00 O ATOM 537 OE2 GLU A 38 -4.448 4.460 6.030 1.00 0.00 O ATOM 0 H GLU A 38 -4.194 7.471 2.399 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.046 6.824 4.095 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.936 5.506 2.335 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.339 4.827 2.088 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.416 3.529 3.786 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.154 4.463 4.563 1.00 0.00 H new ATOM 544 N ASP A 39 -0.179 5.949 2.276 1.00 0.00 N ATOM 545 CA ASP A 39 1.058 5.988 1.506 1.00 0.00 C ATOM 546 C ASP A 39 1.297 4.661 0.793 1.00 0.00 C ATOM 547 O ASP A 39 1.106 3.591 1.371 1.00 0.00 O ATOM 548 CB ASP A 39 2.242 6.311 2.419 1.00 0.00 C ATOM 549 CG ASP A 39 2.021 7.573 3.229 1.00 0.00 C ATOM 550 OD1 ASP A 39 1.338 8.489 2.725 1.00 0.00 O ATOM 551 OD2 ASP A 39 2.532 7.646 4.366 1.00 0.00 O ATOM 0 H ASP A 39 -0.278 5.128 2.874 1.00 0.00 H new ATOM 0 HA ASP A 39 0.964 6.772 0.754 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.414 5.474 3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.143 6.423 1.815 1.00 0.00 H new ATOM 556 N VAL A 40 1.715 4.737 -0.466 1.00 0.00 N ATOM 557 CA VAL A 40 1.980 3.542 -1.258 1.00 0.00 C ATOM 558 C VAL A 40 3.197 3.736 -2.155 1.00 0.00 C ATOM 559 O VAL A 40 3.662 4.858 -2.356 1.00 0.00 O ATOM 560 CB VAL A 40 0.768 3.167 -2.131 1.00 0.00 C ATOM 561 CG1 VAL A 40 -0.323 2.528 -1.284 1.00 0.00 C ATOM 562 CG2 VAL A 40 0.238 4.392 -2.861 1.00 0.00 C ATOM 0 H VAL A 40 1.878 5.614 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 40 2.176 2.733 -0.554 1.00 0.00 H new ATOM 0 HB VAL A 40 1.090 2.439 -2.876 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.171 2.270 -1.918 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.065 1.626 -0.811 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.645 3.230 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.618 4.109 -3.473 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.069 5.144 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.021 4.802 -3.499 1.00 0.00 H new ATOM 572 N CYS A 41 3.710 2.634 -2.693 1.00 0.00 N ATOM 573 CA CYS A 41 4.875 2.681 -3.569 1.00 0.00 C ATOM 574 C CYS A 41 4.472 2.441 -5.022 1.00 0.00 C ATOM 575 O CYS A 41 5.031 3.042 -5.939 1.00 0.00 O ATOM 576 CB CYS A 41 5.907 1.639 -3.136 1.00 0.00 C ATOM 577 SG CYS A 41 5.364 -0.085 -3.362 1.00 0.00 S ATOM 0 H CYS A 41 3.337 1.697 -2.538 1.00 0.00 H new ATOM 0 HA CYS A 41 5.317 3.674 -3.492 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.825 1.796 -3.701 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.149 1.798 -2.085 1.00 0.00 H new ATOM 582 N SER A 42 3.498 1.559 -5.222 1.00 0.00 N ATOM 583 CA SER A 42 3.023 1.237 -6.562 1.00 0.00 C ATOM 584 C SER A 42 1.526 1.505 -6.687 1.00 0.00 C ATOM 585 O SER A 42 0.805 1.541 -5.689 1.00 0.00 O ATOM 586 CB SER A 42 3.319 -0.227 -6.893 1.00 0.00 C ATOM 587 OG SER A 42 4.677 -0.543 -6.639 1.00 0.00 O ATOM 0 H SER A 42 3.023 1.055 -4.473 1.00 0.00 H new ATOM 0 HA SER A 42 3.550 1.876 -7.270 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.674 -0.875 -6.299 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.087 -0.420 -7.940 1.00 0.00 H new ATOM 0 HG SER A 42 4.844 -0.516 -5.674 1.00 0.00 H new ATOM 593 N LEU A 43 1.066 1.693 -7.919 1.00 0.00 N ATOM 594 CA LEU A 43 -0.345 1.958 -8.176 1.00 0.00 C ATOM 595 C LEU A 43 -1.215 0.806 -7.683 1.00 0.00 C ATOM 596 O LEU A 43 -2.340 1.015 -7.232 1.00 0.00 O ATOM 597 CB LEU A 43 -0.578 2.184 -9.671 1.00 0.00 C ATOM 598 CG LEU A 43 0.092 3.419 -10.276 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.390 3.644 -11.700 1.00 0.00 C ATOM 600 CD2 LEU A 43 -0.180 4.647 -9.419 1.00 0.00 C ATOM 0 H LEU A 43 1.649 1.667 -8.755 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.625 2.859 -7.630 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.227 1.304 -10.210 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.652 2.256 -9.844 1.00 0.00 H new ATOM 0 HG LEU A 43 1.168 3.249 -10.301 1.00 0.00 H new ATOM 0 HD11 LEU A 43 0.097 4.527 -12.114 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.144 2.774 -12.309 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.470 3.793 -11.699 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.304 5.516 -9.864 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -1.255 4.820 -9.362 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.215 4.486 -8.416 1.00 0.00 H new ATOM 612 N GLU A 44 -0.684 -0.409 -7.771 1.00 0.00 N ATOM 613 CA GLU A 44 -1.412 -1.594 -7.333 1.00 0.00 C ATOM 614 C GLU A 44 -1.679 -1.543 -5.831 1.00 0.00 C ATOM 615 O GLU A 44 -2.717 -2.007 -5.358 1.00 0.00 O ATOM 616 CB GLU A 44 -0.626 -2.860 -7.679 1.00 0.00 C ATOM 617 CG GLU A 44 -1.255 -4.134 -7.140 1.00 0.00 C ATOM 618 CD GLU A 44 -0.454 -5.373 -7.489 1.00 0.00 C ATOM 619 OE1 GLU A 44 0.566 -5.629 -6.816 1.00 0.00 O ATOM 620 OE2 GLU A 44 -0.848 -6.087 -8.435 1.00 0.00 O ATOM 0 H GLU A 44 0.247 -0.599 -8.141 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.369 -1.615 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.539 -2.938 -8.763 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.386 -2.769 -7.283 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.347 -4.059 -6.057 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.264 -4.234 -7.540 1.00 0.00 H new ATOM 627 N CYS A 45 -0.735 -0.976 -5.087 1.00 0.00 N ATOM 628 CA CYS A 45 -0.867 -0.865 -3.639 1.00 0.00 C ATOM 629 C CYS A 45 -1.984 0.106 -3.268 1.00 0.00 C ATOM 630 O CYS A 45 -2.700 -0.099 -2.287 1.00 0.00 O ATOM 631 CB CYS A 45 0.454 -0.401 -3.021 1.00 0.00 C ATOM 632 SG CYS A 45 1.856 -1.520 -3.337 1.00 0.00 S ATOM 0 H CYS A 45 0.129 -0.586 -5.463 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.120 -1.849 -3.245 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.697 0.588 -3.410 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.322 -0.296 -1.944 1.00 0.00 H new ATOM 637 N LYS A 46 -2.127 1.165 -4.058 1.00 0.00 N ATOM 638 CA LYS A 46 -3.157 2.168 -3.815 1.00 0.00 C ATOM 639 C LYS A 46 -4.536 1.521 -3.725 1.00 0.00 C ATOM 640 O LYS A 46 -5.168 1.529 -2.669 1.00 0.00 O ATOM 641 CB LYS A 46 -3.146 3.219 -4.927 1.00 0.00 C ATOM 642 CG LYS A 46 -4.370 4.119 -4.925 1.00 0.00 C ATOM 643 CD LYS A 46 -4.099 5.430 -5.643 1.00 0.00 C ATOM 644 CE LYS A 46 -5.056 5.636 -6.807 1.00 0.00 C ATOM 645 NZ LYS A 46 -4.373 6.235 -7.987 1.00 0.00 N ATOM 0 H LYS A 46 -1.542 1.351 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.940 2.653 -2.863 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.252 3.835 -4.825 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -3.077 2.715 -5.891 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.202 3.605 -5.406 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.672 4.322 -3.897 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.196 6.258 -4.940 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.072 5.440 -6.009 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.496 4.680 -7.089 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.875 6.284 -6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.059 6.360 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.975 7.159 -7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.608 5.605 -8.302 1.00 0.00 H new ATOM 659 N ALA A 47 -4.995 0.962 -4.840 1.00 0.00 N ATOM 660 CA ALA A 47 -6.298 0.308 -4.885 1.00 0.00 C ATOM 661 C ALA A 47 -6.351 -0.877 -3.926 1.00 0.00 C ATOM 662 O ALA A 47 -7.410 -1.211 -3.394 1.00 0.00 O ATOM 663 CB ALA A 47 -6.612 -0.144 -6.304 1.00 0.00 C ATOM 0 H ALA A 47 -4.485 0.949 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 47 -7.051 1.030 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.587 -0.631 -6.323 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.625 0.721 -6.967 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.849 -0.847 -6.639 1.00 0.00 H new ATOM 669 N LYS A 48 -5.202 -1.509 -3.710 1.00 0.00 N ATOM 670 CA LYS A 48 -5.117 -2.657 -2.815 1.00 0.00 C ATOM 671 C LYS A 48 -5.533 -2.274 -1.399 1.00 0.00 C ATOM 672 O LYS A 48 -6.052 -3.101 -0.648 1.00 0.00 O ATOM 673 CB LYS A 48 -3.693 -3.218 -2.806 1.00 0.00 C ATOM 674 CG LYS A 48 -3.506 -4.416 -3.719 1.00 0.00 C ATOM 675 CD LYS A 48 -2.195 -5.131 -3.439 1.00 0.00 C ATOM 676 CE LYS A 48 -2.226 -5.846 -2.097 1.00 0.00 C ATOM 677 NZ LYS A 48 -1.711 -7.240 -2.198 1.00 0.00 N ATOM 0 H LYS A 48 -4.317 -1.245 -4.143 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.800 -3.423 -3.181 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.000 -2.432 -3.105 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.430 -3.504 -1.787 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.336 -5.110 -3.585 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.529 -4.089 -4.759 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -1.996 -5.852 -4.232 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.377 -4.411 -3.450 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.628 -5.290 -1.375 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.248 -5.863 -1.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -1.749 -7.693 -1.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -2.297 -7.779 -2.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.727 -7.223 -2.535 1.00 0.00 H new ATOM 691 N HIS A 49 -5.305 -1.015 -1.039 1.00 0.00 N ATOM 692 CA HIS A 49 -5.658 -0.522 0.287 1.00 0.00 C ATOM 693 C HIS A 49 -7.043 0.119 0.278 1.00 0.00 C ATOM 694 O HIS A 49 -7.804 -0.009 1.237 1.00 0.00 O ATOM 695 CB HIS A 49 -4.619 0.489 0.773 1.00 0.00 C ATOM 696 CG HIS A 49 -5.025 1.215 2.018 1.00 0.00 C ATOM 697 ND1 HIS A 49 -4.941 0.657 3.276 1.00 0.00 N ATOM 698 CD2 HIS A 49 -5.520 2.462 2.194 1.00 0.00 C ATOM 699 CE1 HIS A 49 -5.367 1.529 4.172 1.00 0.00 C ATOM 700 NE2 HIS A 49 -5.725 2.633 3.541 1.00 0.00 N ATOM 0 H HIS A 49 -4.877 -0.317 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.674 -1.371 0.970 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.678 -0.029 0.955 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.434 1.216 -0.018 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.717 3.188 1.419 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.415 1.367 5.239 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -6.094 3.475 3.982 1.00 0.00 H new ATOM 708 N LEU A 50 -7.362 0.809 -0.812 1.00 0.00 N ATOM 709 CA LEU A 50 -8.655 1.471 -0.946 1.00 0.00 C ATOM 710 C LEU A 50 -9.793 0.456 -0.904 1.00 0.00 C ATOM 711 O LEU A 50 -10.714 0.573 -0.095 1.00 0.00 O ATOM 712 CB LEU A 50 -8.711 2.264 -2.253 1.00 0.00 C ATOM 713 CG LEU A 50 -7.787 3.479 -2.341 1.00 0.00 C ATOM 714 CD1 LEU A 50 -8.007 4.223 -3.649 1.00 0.00 C ATOM 715 CD2 LEU A 50 -8.009 4.405 -1.155 1.00 0.00 C ATOM 0 H LEU A 50 -6.744 0.924 -1.615 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.773 2.157 -0.107 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.470 1.589 -3.075 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.736 2.600 -2.407 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.755 3.129 -2.315 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.341 5.085 -3.694 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.796 3.557 -4.486 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.042 4.561 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.343 5.264 -1.234 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -9.044 4.747 -1.149 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.800 3.868 -0.230 1.00 0.00 H new ATOM 727 N LEU A 51 -9.723 -0.540 -1.780 1.00 0.00 N ATOM 728 CA LEU A 51 -10.747 -1.577 -1.843 1.00 0.00 C ATOM 729 C LEU A 51 -10.786 -2.382 -0.547 1.00 0.00 C ATOM 730 O LEU A 51 -11.748 -3.101 -0.282 1.00 0.00 O ATOM 731 CB LEU A 51 -10.485 -2.509 -3.027 1.00 0.00 C ATOM 732 CG LEU A 51 -9.844 -3.857 -2.692 1.00 0.00 C ATOM 733 CD1 LEU A 51 -9.797 -4.746 -3.925 1.00 0.00 C ATOM 734 CD2 LEU A 51 -8.447 -3.656 -2.124 1.00 0.00 C ATOM 0 H LEU A 51 -8.968 -0.652 -2.457 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.713 -1.091 -1.978 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.432 -2.696 -3.533 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.841 -1.990 -3.737 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.455 -4.351 -1.936 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.338 -5.701 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.810 -4.917 -4.289 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.209 -4.259 -4.703 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.006 -4.625 -1.891 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.826 -3.142 -2.858 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.506 -3.057 -1.215 1.00 0.00 H new ATOM 746 N GLN A 52 -9.735 -2.252 0.256 1.00 0.00 N ATOM 747 CA GLN A 52 -9.650 -2.967 1.524 1.00 0.00 C ATOM 748 C GLN A 52 -10.262 -2.144 2.653 1.00 0.00 C ATOM 749 O GLN A 52 -10.748 -2.693 3.643 1.00 0.00 O ATOM 750 CB GLN A 52 -8.194 -3.299 1.851 1.00 0.00 C ATOM 751 CG GLN A 52 -7.753 -4.664 1.347 1.00 0.00 C ATOM 752 CD GLN A 52 -7.773 -5.721 2.433 1.00 0.00 C ATOM 753 OE1 GLN A 52 -8.781 -6.399 2.638 1.00 0.00 O ATOM 754 NE2 GLN A 52 -6.657 -5.868 3.137 1.00 0.00 N ATOM 0 H GLN A 52 -8.931 -1.659 0.051 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.213 -3.895 1.427 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.549 -2.535 1.416 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.054 -3.257 2.931 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.406 -4.974 0.531 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.746 -4.588 0.938 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.845 -5.285 2.934 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.611 -6.564 3.881 1.00 0.00 H new ATOM 763 N VAL A 53 -10.235 -0.824 2.500 1.00 0.00 N ATOM 764 CA VAL A 53 -10.788 0.074 3.506 1.00 0.00 C ATOM 765 C VAL A 53 -12.309 0.129 3.418 1.00 0.00 C ATOM 766 O VAL A 53 -12.988 0.436 4.398 1.00 0.00 O ATOM 767 CB VAL A 53 -10.224 1.500 3.356 1.00 0.00 C ATOM 768 CG1 VAL A 53 -10.880 2.442 4.354 1.00 0.00 C ATOM 769 CG2 VAL A 53 -8.713 1.496 3.529 1.00 0.00 C ATOM 0 H VAL A 53 -9.836 -0.353 1.688 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.498 -0.323 4.479 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.451 1.858 2.352 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.469 3.444 4.233 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.955 2.467 4.178 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.686 2.091 5.367 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.332 2.511 3.420 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.461 1.118 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.262 0.856 2.771 1.00 0.00 H new ATOM 779 N LYS A 54 -12.839 -0.171 2.237 1.00 0.00 N ATOM 780 CA LYS A 54 -14.280 -0.158 2.019 1.00 0.00 C ATOM 781 C LYS A 54 -14.986 -1.096 2.993 1.00 0.00 C ATOM 782 O LYS A 54 -16.159 -0.905 3.312 1.00 0.00 O ATOM 783 CB LYS A 54 -14.603 -0.563 0.579 1.00 0.00 C ATOM 784 CG LYS A 54 -14.076 0.412 -0.460 1.00 0.00 C ATOM 785 CD LYS A 54 -14.632 1.809 -0.246 1.00 0.00 C ATOM 786 CE LYS A 54 -14.159 2.769 -1.327 1.00 0.00 C ATOM 787 NZ LYS A 54 -14.516 2.288 -2.691 1.00 0.00 N ATOM 0 H LYS A 54 -12.291 -0.426 1.415 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.639 0.856 2.194 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.183 -1.550 0.385 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.684 -0.650 0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.987 0.442 -0.413 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.343 0.062 -1.457 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.721 1.772 -0.242 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.323 2.179 0.731 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.603 3.751 -1.160 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -13.078 2.891 -1.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -14.461 3.079 -3.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -13.853 1.541 -2.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -15.484 1.908 -2.683 1.00 0.00 H new ATOM 801 N GLU A 55 -14.263 -2.108 3.462 1.00 0.00 N ATOM 802 CA GLU A 55 -14.822 -3.075 4.399 1.00 0.00 C ATOM 803 C GLU A 55 -15.367 -2.376 5.641 1.00 0.00 C ATOM 804 O GLU A 55 -16.288 -2.870 6.292 1.00 0.00 O ATOM 805 CB GLU A 55 -13.759 -4.100 4.803 1.00 0.00 C ATOM 806 CG GLU A 55 -12.717 -3.550 5.763 1.00 0.00 C ATOM 807 CD GLU A 55 -11.583 -4.525 6.013 1.00 0.00 C ATOM 808 OE1 GLU A 55 -11.848 -5.744 6.065 1.00 0.00 O ATOM 809 OE2 GLU A 55 -10.430 -4.068 6.157 1.00 0.00 O ATOM 0 H GLU A 55 -13.290 -2.279 3.209 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.644 -3.591 3.903 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.250 -4.957 5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.258 -4.464 3.906 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -12.311 -2.622 5.360 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -13.195 -3.304 6.711 1.00 0.00 H new ATOM 816 N LYS A 56 -14.792 -1.223 5.964 1.00 0.00 N ATOM 817 CA LYS A 56 -15.220 -0.453 7.127 1.00 0.00 C ATOM 818 C LYS A 56 -16.505 0.312 6.830 1.00 0.00 C ATOM 819 O LYS A 56 -17.276 0.624 7.737 1.00 0.00 O ATOM 820 CB LYS A 56 -14.119 0.522 7.551 1.00 0.00 C ATOM 821 CG LYS A 56 -12.955 -0.147 8.263 1.00 0.00 C ATOM 822 CD LYS A 56 -11.788 0.809 8.441 1.00 0.00 C ATOM 823 CE LYS A 56 -10.486 0.060 8.681 1.00 0.00 C ATOM 824 NZ LYS A 56 -9.330 0.731 8.025 1.00 0.00 N ATOM 0 H LYS A 56 -14.028 -0.800 5.437 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.414 -1.150 7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -13.745 1.040 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -14.549 1.279 8.207 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -13.283 -0.508 9.238 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -12.630 -1.017 7.693 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -11.691 1.435 7.554 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -11.986 1.475 9.281 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -10.302 -0.014 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.578 -0.958 8.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -8.462 0.189 8.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -9.493 0.779 6.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -9.226 1.694 8.405 1.00 0.00 H new ATOM 838 N GLU A 57 -16.729 0.611 5.554 1.00 0.00 N ATOM 839 CA GLU A 57 -17.923 1.339 5.139 1.00 0.00 C ATOM 840 C GLU A 57 -17.979 2.713 5.801 1.00 0.00 C ATOM 841 O GLU A 57 -19.055 3.280 5.986 1.00 0.00 O ATOM 842 CB GLU A 57 -19.181 0.542 5.487 1.00 0.00 C ATOM 843 CG GLU A 57 -20.385 0.902 4.633 1.00 0.00 C ATOM 844 CD GLU A 57 -21.644 1.101 5.455 1.00 0.00 C ATOM 845 OE1 GLU A 57 -21.988 0.196 6.244 1.00 0.00 O ATOM 846 OE2 GLU A 57 -22.286 2.162 5.308 1.00 0.00 O ATOM 0 H GLU A 57 -16.100 0.361 4.791 1.00 0.00 H new ATOM 0 HA GLU A 57 -17.876 1.476 4.059 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -18.970 -0.521 5.373 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -19.427 0.708 6.536 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -20.171 1.814 4.076 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -20.555 0.113 3.900 1.00 0.00 H new ATOM 853 N GLU A 58 -16.811 3.241 6.156 1.00 0.00 N ATOM 854 CA GLU A 58 -16.728 4.547 6.798 1.00 0.00 C ATOM 855 C GLU A 58 -17.316 5.633 5.902 1.00 0.00 C ATOM 856 O GLU A 58 -18.332 6.244 6.231 1.00 0.00 O ATOM 857 CB GLU A 58 -15.274 4.882 7.138 1.00 0.00 C ATOM 858 CG GLU A 58 -15.074 6.310 7.616 1.00 0.00 C ATOM 859 CD GLU A 58 -13.837 6.468 8.478 1.00 0.00 C ATOM 860 OE1 GLU A 58 -12.728 6.171 7.984 1.00 0.00 O ATOM 861 OE2 GLU A 58 -13.976 6.888 9.646 1.00 0.00 O ATOM 0 H GLU A 58 -15.911 2.784 6.010 1.00 0.00 H new ATOM 0 HA GLU A 58 -17.309 4.507 7.719 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.923 4.197 7.910 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.655 4.713 6.257 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -14.998 6.971 6.753 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -15.950 6.626 8.183 1.00 0.00 H new ATOM 868 N LYS A 59 -16.668 5.869 4.766 1.00 0.00 N ATOM 869 CA LYS A 59 -17.124 6.880 3.820 1.00 0.00 C ATOM 870 C LYS A 59 -18.419 6.445 3.141 1.00 0.00 C ATOM 871 O LYS A 59 -19.436 7.133 3.225 1.00 0.00 O ATOM 872 CB LYS A 59 -16.047 7.144 2.765 1.00 0.00 C ATOM 873 CG LYS A 59 -16.121 8.533 2.154 1.00 0.00 C ATOM 874 CD LYS A 59 -15.105 9.473 2.780 1.00 0.00 C ATOM 875 CE LYS A 59 -14.847 10.683 1.897 1.00 0.00 C ATOM 876 NZ LYS A 59 -14.180 10.305 0.620 1.00 0.00 N ATOM 0 H LYS A 59 -15.824 5.373 4.478 1.00 0.00 H new ATOM 0 HA LYS A 59 -17.315 7.799 4.374 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -15.065 7.008 3.218 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -16.138 6.402 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -15.945 8.469 1.080 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -17.124 8.938 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.465 9.803 3.755 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -14.170 8.939 2.950 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.791 11.182 1.680 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -14.224 11.399 2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.679 11.130 0.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.500 9.539 0.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.895 9.982 -0.063 1.00 0.00 H new ATOM 890 N SER A 60 -18.374 5.298 2.470 1.00 0.00 N ATOM 891 CA SER A 60 -19.544 4.773 1.775 1.00 0.00 C ATOM 892 C SER A 60 -19.425 3.265 1.576 1.00 0.00 C ATOM 893 O SER A 60 -18.662 2.828 0.716 1.00 0.00 O ATOM 894 CB SER A 60 -19.713 5.466 0.422 1.00 0.00 C ATOM 895 OG SER A 60 -20.422 4.643 -0.488 1.00 0.00 O ATOM 0 H SER A 60 -17.541 4.715 2.393 1.00 0.00 H new ATOM 0 HA SER A 60 -20.422 4.973 2.389 1.00 0.00 H new ATOM 0 HB2 SER A 60 -20.245 6.408 0.556 1.00 0.00 H new ATOM 0 HB3 SER A 60 -18.734 5.710 0.010 1.00 0.00 H new ATOM 0 HG SER A 60 -20.518 5.109 -1.345 1.00 0.00 H new TER 901 SER A 60 HETATM 902 ZN ZN A 201 3.792 -1.011 -2.083 1.00 0.00 ZN