USER MOD reduce.3.24.130724 H: found=0, std=0, add=443, rem=0, adj=15 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 Single : A 1 GLY N :NH3+ -124:sc= 0.0519 (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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.231 USER MOD Single : A 12 GLN : amide:sc= -0.0712 X(o=-0.071,f=-0.25) 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 -140:sc= -0.234 USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.088) USER MOD Single : A 36 THR OG1 : rot 150:sc= 0.0347 USER MOD Single : A 42 SER OG : rot 180:sc= 0 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 HE2:sc= -2 K(o=-2,f=-4.8) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -3.055 16.140 -30.690 1.00 0.00 N ATOM 2 CA GLY A 1 -3.186 14.863 -30.011 1.00 0.00 C ATOM 3 C GLY A 1 -2.452 14.833 -28.686 1.00 0.00 C ATOM 4 O GLY A 1 -2.171 15.878 -28.100 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.000 16.526 -30.889 1.00 0.00 H new ATOM 0 H2 GLY A 1 -2.530 16.803 -30.084 1.00 0.00 H new ATOM 0 H3 GLY A 1 -2.541 16.007 -31.584 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -4.242 14.651 -29.843 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -2.801 14.072 -30.654 1.00 0.00 H new ATOM 8 N SER A 2 -2.141 13.631 -28.211 1.00 0.00 N ATOM 9 CA SER A 2 -1.439 13.468 -26.943 1.00 0.00 C ATOM 10 C SER A 2 -0.490 12.275 -26.997 1.00 0.00 C ATOM 11 O SER A 2 -0.918 11.123 -26.917 1.00 0.00 O ATOM 12 CB SER A 2 -2.441 13.286 -25.801 1.00 0.00 C ATOM 13 OG SER A 2 -3.773 13.312 -26.283 1.00 0.00 O ATOM 0 H SER A 2 -2.364 12.756 -28.685 1.00 0.00 H new ATOM 0 HA SER A 2 -0.852 14.369 -26.762 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.252 12.339 -25.295 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.303 14.075 -25.062 1.00 0.00 H new ATOM 0 HG SER A 2 -4.394 13.192 -25.535 1.00 0.00 H new ATOM 19 N SER A 3 0.801 12.559 -27.133 1.00 0.00 N ATOM 20 CA SER A 3 1.812 11.510 -27.202 1.00 0.00 C ATOM 21 C SER A 3 2.874 11.708 -26.125 1.00 0.00 C ATOM 22 O SER A 3 3.616 12.689 -26.142 1.00 0.00 O ATOM 23 CB SER A 3 2.467 11.494 -28.584 1.00 0.00 C ATOM 24 OG SER A 3 1.688 12.211 -29.526 1.00 0.00 O ATOM 0 H SER A 3 1.172 13.507 -27.198 1.00 0.00 H new ATOM 0 HA SER A 3 1.320 10.553 -27.030 1.00 0.00 H new ATOM 0 HB2 SER A 3 3.463 11.932 -28.523 1.00 0.00 H new ATOM 0 HB3 SER A 3 2.592 10.464 -28.919 1.00 0.00 H new ATOM 0 HG SER A 3 2.129 12.187 -30.401 1.00 0.00 H new ATOM 30 N GLY A 4 2.941 10.767 -25.188 1.00 0.00 N ATOM 31 CA GLY A 4 3.915 10.856 -24.116 1.00 0.00 C ATOM 32 C GLY A 4 3.939 9.612 -23.250 1.00 0.00 C ATOM 33 O GLY A 4 3.398 9.606 -22.144 1.00 0.00 O ATOM 0 H GLY A 4 2.338 9.945 -25.152 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.905 11.018 -24.542 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.689 11.723 -23.495 1.00 0.00 H new ATOM 37 N SER A 5 4.567 8.554 -23.755 1.00 0.00 N ATOM 38 CA SER A 5 4.655 7.296 -23.022 1.00 0.00 C ATOM 39 C SER A 5 5.313 7.505 -21.662 1.00 0.00 C ATOM 40 O SER A 5 6.286 8.249 -21.538 1.00 0.00 O ATOM 41 CB SER A 5 5.445 6.265 -23.831 1.00 0.00 C ATOM 42 OG SER A 5 5.635 5.073 -23.089 1.00 0.00 O ATOM 0 H SER A 5 5.022 8.543 -24.668 1.00 0.00 H new ATOM 0 HA SER A 5 3.643 6.924 -22.863 1.00 0.00 H new ATOM 0 HB2 SER A 5 4.915 6.041 -24.757 1.00 0.00 H new ATOM 0 HB3 SER A 5 6.413 6.681 -24.111 1.00 0.00 H new ATOM 0 HG SER A 5 6.141 4.429 -23.628 1.00 0.00 H new ATOM 48 N SER A 6 4.775 6.842 -20.643 1.00 0.00 N ATOM 49 CA SER A 6 5.306 6.957 -19.290 1.00 0.00 C ATOM 50 C SER A 6 6.448 5.969 -19.070 1.00 0.00 C ATOM 51 O SER A 6 6.899 5.306 -20.002 1.00 0.00 O ATOM 52 CB SER A 6 4.200 6.711 -18.262 1.00 0.00 C ATOM 53 OG SER A 6 4.254 7.666 -17.216 1.00 0.00 O ATOM 0 H SER A 6 3.972 6.220 -20.729 1.00 0.00 H new ATOM 0 HA SER A 6 5.692 7.968 -19.162 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.227 6.758 -18.752 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.301 5.708 -17.848 1.00 0.00 H new ATOM 0 HG SER A 6 3.536 7.488 -16.573 1.00 0.00 H new ATOM 59 N GLY A 7 6.912 5.879 -17.827 1.00 0.00 N ATOM 60 CA GLY A 7 7.998 4.971 -17.505 1.00 0.00 C ATOM 61 C GLY A 7 7.694 4.110 -16.294 1.00 0.00 C ATOM 62 O GLY A 7 6.531 3.884 -15.960 1.00 0.00 O ATOM 0 H GLY A 7 6.556 6.418 -17.038 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.197 4.329 -18.363 1.00 0.00 H new ATOM 0 HA3 GLY A 7 8.905 5.546 -17.320 1.00 0.00 H new ATOM 66 N PHE A 8 8.743 3.627 -15.636 1.00 0.00 N ATOM 67 CA PHE A 8 8.583 2.784 -14.457 1.00 0.00 C ATOM 68 C PHE A 8 9.473 3.268 -13.317 1.00 0.00 C ATOM 69 O PHE A 8 10.418 4.027 -13.533 1.00 0.00 O ATOM 70 CB PHE A 8 8.915 1.329 -14.796 1.00 0.00 C ATOM 71 CG PHE A 8 10.322 1.134 -15.285 1.00 0.00 C ATOM 72 CD1 PHE A 8 11.368 0.990 -14.387 1.00 0.00 C ATOM 73 CD2 PHE A 8 10.599 1.095 -16.642 1.00 0.00 C ATOM 74 CE1 PHE A 8 12.664 0.809 -14.834 1.00 0.00 C ATOM 75 CE2 PHE A 8 11.892 0.915 -17.094 1.00 0.00 C ATOM 76 CZ PHE A 8 12.926 0.773 -16.190 1.00 0.00 C ATOM 0 H PHE A 8 9.712 3.805 -15.899 1.00 0.00 H new ATOM 0 HA PHE A 8 7.544 2.847 -14.134 1.00 0.00 H new ATOM 0 HB2 PHE A 8 8.758 0.713 -13.911 1.00 0.00 H new ATOM 0 HB3 PHE A 8 8.221 0.974 -15.558 1.00 0.00 H new ATOM 0 HD1 PHE A 8 11.169 1.020 -13.326 1.00 0.00 H new ATOM 0 HD2 PHE A 8 9.795 1.207 -17.354 1.00 0.00 H new ATOM 0 HE1 PHE A 8 13.470 0.696 -14.124 1.00 0.00 H new ATOM 0 HE2 PHE A 8 12.094 0.885 -18.155 1.00 0.00 H new ATOM 0 HZ PHE A 8 13.937 0.634 -16.542 1.00 0.00 H new ATOM 86 N SER A 9 9.163 2.825 -12.103 1.00 0.00 N ATOM 87 CA SER A 9 9.932 3.217 -10.927 1.00 0.00 C ATOM 88 C SER A 9 9.627 2.297 -9.748 1.00 0.00 C ATOM 89 O SER A 9 9.177 2.747 -8.694 1.00 0.00 O ATOM 90 CB SER A 9 9.624 4.667 -10.550 1.00 0.00 C ATOM 91 OG SER A 9 8.268 4.985 -10.812 1.00 0.00 O ATOM 0 H SER A 9 8.385 2.195 -11.908 1.00 0.00 H new ATOM 0 HA SER A 9 10.991 3.130 -11.170 1.00 0.00 H new ATOM 0 HB2 SER A 9 9.840 4.825 -9.493 1.00 0.00 H new ATOM 0 HB3 SER A 9 10.273 5.338 -11.112 1.00 0.00 H new ATOM 0 HG SER A 9 8.096 5.917 -10.561 1.00 0.00 H new ATOM 97 N LYS A 10 9.877 1.006 -9.934 1.00 0.00 N ATOM 98 CA LYS A 10 9.631 0.020 -8.887 1.00 0.00 C ATOM 99 C LYS A 10 10.925 -0.335 -8.160 1.00 0.00 C ATOM 100 O LYS A 10 11.938 -0.643 -8.788 1.00 0.00 O ATOM 101 CB LYS A 10 9.006 -1.243 -9.484 1.00 0.00 C ATOM 102 CG LYS A 10 7.496 -1.302 -9.336 1.00 0.00 C ATOM 103 CD LYS A 10 6.841 -1.943 -10.548 1.00 0.00 C ATOM 104 CE LYS A 10 5.989 -3.139 -10.154 1.00 0.00 C ATOM 105 NZ LYS A 10 6.682 -4.428 -10.426 1.00 0.00 N ATOM 0 H LYS A 10 10.250 0.617 -10.800 1.00 0.00 H new ATOM 0 HA LYS A 10 8.938 0.456 -8.167 1.00 0.00 H new ATOM 0 HB2 LYS A 10 9.262 -1.299 -10.542 1.00 0.00 H new ATOM 0 HB3 LYS A 10 9.444 -2.117 -9.003 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.239 -1.868 -8.441 1.00 0.00 H new ATOM 0 HG3 LYS A 10 7.103 -0.294 -9.200 1.00 0.00 H new ATOM 0 HD2 LYS A 10 6.222 -1.207 -11.060 1.00 0.00 H new ATOM 0 HD3 LYS A 10 7.609 -2.259 -11.254 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.743 -3.076 -9.094 1.00 0.00 H new ATOM 0 HE3 LYS A 10 5.047 -3.110 -10.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 6.068 -5.219 -10.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 6.895 -4.500 -11.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 7.568 -4.467 -9.883 1.00 0.00 H new ATOM 119 N THR A 11 10.883 -0.290 -6.832 1.00 0.00 N ATOM 120 CA THR A 11 12.051 -0.607 -6.020 1.00 0.00 C ATOM 121 C THR A 11 11.656 -0.880 -4.573 1.00 0.00 C ATOM 122 O THR A 11 12.191 -1.786 -3.935 1.00 0.00 O ATOM 123 CB THR A 11 13.084 0.534 -6.052 1.00 0.00 C ATOM 124 OG1 THR A 11 12.615 1.597 -6.890 1.00 0.00 O ATOM 125 CG2 THR A 11 14.427 0.035 -6.563 1.00 0.00 C ATOM 0 H THR A 11 10.053 -0.037 -6.296 1.00 0.00 H new ATOM 0 HA THR A 11 12.499 -1.504 -6.447 1.00 0.00 H new ATOM 0 HB THR A 11 13.214 0.904 -5.035 1.00 0.00 H new ATOM 0 HG1 THR A 11 13.277 2.319 -6.904 1.00 0.00 H new ATOM 0 HG21 THR A 11 15.140 0.859 -6.576 1.00 0.00 H new ATOM 0 HG22 THR A 11 14.796 -0.753 -5.907 1.00 0.00 H new ATOM 0 HG23 THR A 11 14.309 -0.359 -7.572 1.00 0.00 H new ATOM 133 N GLN A 12 10.718 -0.090 -4.061 1.00 0.00 N ATOM 134 CA GLN A 12 10.252 -0.247 -2.689 1.00 0.00 C ATOM 135 C GLN A 12 11.426 -0.267 -1.715 1.00 0.00 C ATOM 136 O GLN A 12 11.523 -1.151 -0.863 1.00 0.00 O ATOM 137 CB GLN A 12 9.436 -1.533 -2.549 1.00 0.00 C ATOM 138 CG GLN A 12 8.453 -1.756 -3.686 1.00 0.00 C ATOM 139 CD GLN A 12 8.923 -2.814 -4.665 1.00 0.00 C ATOM 140 OE1 GLN A 12 9.333 -3.905 -4.268 1.00 0.00 O ATOM 141 NE2 GLN A 12 8.866 -2.497 -5.953 1.00 0.00 N ATOM 0 H GLN A 12 10.266 0.665 -4.576 1.00 0.00 H new ATOM 0 HA GLN A 12 9.617 0.605 -2.448 1.00 0.00 H new ATOM 0 HB2 GLN A 12 10.118 -2.382 -2.497 1.00 0.00 H new ATOM 0 HB3 GLN A 12 8.889 -1.506 -1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 12 7.488 -2.051 -3.274 1.00 0.00 H new ATOM 0 HG3 GLN A 12 8.299 -0.817 -4.218 1.00 0.00 H new ATOM 0 HE21 GLN A 12 8.519 -1.581 -6.238 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.169 -3.169 -6.658 1.00 0.00 H new ATOM 150 N ARG A 13 12.316 0.711 -1.848 1.00 0.00 N ATOM 151 CA ARG A 13 13.484 0.804 -0.981 1.00 0.00 C ATOM 152 C ARG A 13 13.104 1.366 0.386 1.00 0.00 C ATOM 153 O ARG A 13 12.177 2.168 0.502 1.00 0.00 O ATOM 154 CB ARG A 13 14.556 1.685 -1.626 1.00 0.00 C ATOM 155 CG ARG A 13 14.101 3.114 -1.873 1.00 0.00 C ATOM 156 CD ARG A 13 15.202 3.946 -2.513 1.00 0.00 C ATOM 157 NE ARG A 13 14.863 4.347 -3.875 1.00 0.00 N ATOM 158 CZ ARG A 13 15.740 4.862 -4.730 1.00 0.00 C ATOM 159 NH1 ARG A 13 17.002 5.037 -4.364 1.00 0.00 N ATOM 160 NH2 ARG A 13 15.355 5.203 -5.953 1.00 0.00 N ATOM 0 H ARG A 13 12.250 1.450 -2.548 1.00 0.00 H new ATOM 0 HA ARG A 13 13.883 -0.201 -0.843 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.437 1.699 -0.985 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.858 1.240 -2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.223 3.111 -2.519 1.00 0.00 H new ATOM 0 HG3 ARG A 13 13.801 3.570 -0.929 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.383 4.834 -1.908 1.00 0.00 H new ATOM 0 HD3 ARG A 13 16.129 3.373 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 13 13.900 4.225 -4.188 1.00 0.00 H new ATOM 0 HH11 ARG A 13 17.301 4.776 -3.424 1.00 0.00 H new ATOM 0 HH12 ARG A 13 17.674 5.432 -5.022 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.385 5.070 -6.238 1.00 0.00 H new ATOM 0 HH22 ARG A 13 16.029 5.598 -6.608 1.00 0.00 H new ATOM 174 N TRP A 14 13.824 0.938 1.417 1.00 0.00 N ATOM 175 CA TRP A 14 13.561 1.398 2.776 1.00 0.00 C ATOM 176 C TRP A 14 13.506 2.921 2.834 1.00 0.00 C ATOM 177 O TRP A 14 14.095 3.604 1.997 1.00 0.00 O ATOM 178 CB TRP A 14 14.637 0.877 3.729 1.00 0.00 C ATOM 179 CG TRP A 14 15.390 1.969 4.428 1.00 0.00 C ATOM 180 CD1 TRP A 14 16.397 2.732 3.909 1.00 0.00 C ATOM 181 CD2 TRP A 14 15.198 2.417 5.774 1.00 0.00 C ATOM 182 NE1 TRP A 14 16.841 3.628 4.851 1.00 0.00 N ATOM 183 CE2 TRP A 14 16.121 3.455 6.004 1.00 0.00 C ATOM 184 CE3 TRP A 14 14.334 2.044 6.807 1.00 0.00 C ATOM 185 CZ2 TRP A 14 16.204 4.121 7.224 1.00 0.00 C ATOM 186 CZ3 TRP A 14 14.417 2.705 8.017 1.00 0.00 C ATOM 187 CH2 TRP A 14 15.346 3.735 8.218 1.00 0.00 C ATOM 0 H TRP A 14 14.594 0.274 1.338 1.00 0.00 H new ATOM 0 HA TRP A 14 12.592 1.007 3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 14 14.171 0.232 4.474 1.00 0.00 H new ATOM 0 HB3 TRP A 14 15.341 0.261 3.169 1.00 0.00 H new ATOM 0 HD1 TRP A 14 16.787 2.644 2.906 1.00 0.00 H new ATOM 0 HE1 TRP A 14 17.586 4.311 4.714 1.00 0.00 H new ATOM 0 HE3 TRP A 14 13.614 1.252 6.662 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 16.920 4.914 7.380 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 13.755 2.423 8.822 1.00 0.00 H new ATOM 0 HH2 TRP A 14 15.386 4.233 9.175 1.00 0.00 H new ATOM 198 N ALA A 15 12.795 3.445 3.827 1.00 0.00 N ATOM 199 CA ALA A 15 12.665 4.887 3.994 1.00 0.00 C ATOM 200 C ALA A 15 12.849 5.289 5.454 1.00 0.00 C ATOM 201 O ALA A 15 12.796 4.447 6.350 1.00 0.00 O ATOM 202 CB ALA A 15 11.313 5.359 3.482 1.00 0.00 C ATOM 0 H ALA A 15 12.301 2.893 4.528 1.00 0.00 H new ATOM 0 HA ALA A 15 13.450 5.367 3.410 1.00 0.00 H new ATOM 0 HB1 ALA A 15 11.231 6.438 3.613 1.00 0.00 H new ATOM 0 HB2 ALA A 15 11.219 5.114 2.424 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.519 4.864 4.041 1.00 0.00 H new ATOM 208 N GLU A 16 13.067 6.580 5.685 1.00 0.00 N ATOM 209 CA GLU A 16 13.260 7.091 7.037 1.00 0.00 C ATOM 210 C GLU A 16 11.953 7.056 7.824 1.00 0.00 C ATOM 211 O GLU A 16 10.864 6.942 7.262 1.00 0.00 O ATOM 212 CB GLU A 16 13.803 8.521 6.992 1.00 0.00 C ATOM 213 CG GLU A 16 15.296 8.614 7.260 1.00 0.00 C ATOM 214 CD GLU A 16 16.128 8.399 6.011 1.00 0.00 C ATOM 215 OE1 GLU A 16 16.414 7.229 5.682 1.00 0.00 O ATOM 216 OE2 GLU A 16 16.492 9.402 5.361 1.00 0.00 O ATOM 0 H GLU A 16 13.114 7.290 4.954 1.00 0.00 H new ATOM 0 HA GLU A 16 13.984 6.450 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 16 13.591 8.951 6.013 1.00 0.00 H new ATOM 0 HB3 GLU A 16 13.272 9.126 7.727 1.00 0.00 H new ATOM 0 HG2 GLU A 16 15.525 9.593 7.681 1.00 0.00 H new ATOM 0 HG3 GLU A 16 15.574 7.872 8.009 1.00 0.00 H new ATOM 223 N PRO A 17 12.063 7.156 9.157 1.00 0.00 N ATOM 224 CA PRO A 17 10.901 7.138 10.051 1.00 0.00 C ATOM 225 C PRO A 17 10.056 8.401 9.928 1.00 0.00 C ATOM 226 O PRO A 17 8.971 8.492 10.500 1.00 0.00 O ATOM 227 CB PRO A 17 11.527 7.047 11.445 1.00 0.00 C ATOM 228 CG PRO A 17 12.885 7.638 11.289 1.00 0.00 C ATOM 229 CD PRO A 17 13.330 7.294 9.895 1.00 0.00 C ATOM 0 HA PRO A 17 10.221 6.318 9.820 1.00 0.00 H new ATOM 0 HB2 PRO A 17 10.938 7.596 12.180 1.00 0.00 H new ATOM 0 HB3 PRO A 17 11.582 6.014 11.788 1.00 0.00 H new ATOM 0 HG2 PRO A 17 12.859 8.718 11.435 1.00 0.00 H new ATOM 0 HG3 PRO A 17 13.574 7.232 12.030 1.00 0.00 H new ATOM 0 HD2 PRO A 17 13.960 8.076 9.470 1.00 0.00 H new ATOM 0 HD3 PRO A 17 13.910 6.371 9.874 1.00 0.00 H new ATOM 237 N GLY A 18 10.561 9.375 9.176 1.00 0.00 N ATOM 238 CA GLY A 18 9.838 10.620 8.992 1.00 0.00 C ATOM 239 C GLY A 18 9.036 10.640 7.706 1.00 0.00 C ATOM 240 O GLY A 18 8.038 11.351 7.602 1.00 0.00 O ATOM 0 H GLY A 18 11.457 9.324 8.691 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.167 10.775 9.837 1.00 0.00 H new ATOM 0 HA3 GLY A 18 10.545 11.450 8.989 1.00 0.00 H new ATOM 244 N GLU A 19 9.475 9.858 6.725 1.00 0.00 N ATOM 245 CA GLU A 19 8.791 9.792 5.438 1.00 0.00 C ATOM 246 C GLU A 19 7.708 8.716 5.453 1.00 0.00 C ATOM 247 O GLU A 19 7.705 7.814 6.290 1.00 0.00 O ATOM 248 CB GLU A 19 9.793 9.507 4.317 1.00 0.00 C ATOM 249 CG GLU A 19 10.411 10.760 3.722 1.00 0.00 C ATOM 250 CD GLU A 19 9.371 11.749 3.234 1.00 0.00 C ATOM 251 OE1 GLU A 19 8.946 12.608 4.035 1.00 0.00 O ATOM 252 OE2 GLU A 19 8.982 11.665 2.050 1.00 0.00 O ATOM 0 H GLU A 19 10.300 9.262 6.796 1.00 0.00 H new ATOM 0 HA GLU A 19 8.318 10.757 5.256 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.587 8.869 4.704 1.00 0.00 H new ATOM 0 HB3 GLU A 19 9.292 8.948 3.526 1.00 0.00 H new ATOM 0 HG2 GLU A 19 11.041 11.241 4.471 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.060 10.481 2.891 1.00 0.00 H new ATOM 259 N PRO A 20 6.765 8.814 4.504 1.00 0.00 N ATOM 260 CA PRO A 20 5.659 7.859 4.386 1.00 0.00 C ATOM 261 C PRO A 20 6.127 6.485 3.917 1.00 0.00 C ATOM 262 O PRO A 20 7.092 6.373 3.161 1.00 0.00 O ATOM 263 CB PRO A 20 4.748 8.500 3.336 1.00 0.00 C ATOM 264 CG PRO A 20 5.652 9.363 2.525 1.00 0.00 C ATOM 265 CD PRO A 20 6.706 9.864 3.473 1.00 0.00 C ATOM 0 HA PRO A 20 5.170 7.681 5.344 1.00 0.00 H new ATOM 0 HB2 PRO A 20 4.263 7.744 2.718 1.00 0.00 H new ATOM 0 HB3 PRO A 20 3.956 9.085 3.803 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.099 8.799 1.707 1.00 0.00 H new ATOM 0 HG3 PRO A 20 5.103 10.192 2.078 1.00 0.00 H new ATOM 0 HD2 PRO A 20 7.667 9.992 2.974 1.00 0.00 H new ATOM 0 HD3 PRO A 20 6.437 10.831 3.899 1.00 0.00 H new ATOM 273 N ILE A 21 5.437 5.444 4.371 1.00 0.00 N ATOM 274 CA ILE A 21 5.782 4.078 3.996 1.00 0.00 C ATOM 275 C ILE A 21 4.547 3.302 3.551 1.00 0.00 C ATOM 276 O ILE A 21 3.450 3.508 4.071 1.00 0.00 O ATOM 277 CB ILE A 21 6.454 3.328 5.161 1.00 0.00 C ATOM 278 CG1 ILE A 21 7.724 4.058 5.602 1.00 0.00 C ATOM 279 CG2 ILE A 21 6.773 1.897 4.755 1.00 0.00 C ATOM 280 CD1 ILE A 21 8.081 3.827 7.054 1.00 0.00 C ATOM 0 H ILE A 21 4.636 5.520 4.998 1.00 0.00 H new ATOM 0 HA ILE A 21 6.484 4.146 3.165 1.00 0.00 H new ATOM 0 HB ILE A 21 5.763 3.301 6.003 1.00 0.00 H new ATOM 0 HG12 ILE A 21 8.555 3.734 4.976 1.00 0.00 H new ATOM 0 HG13 ILE A 21 7.596 5.127 5.434 1.00 0.00 H new ATOM 0 HG21 ILE A 21 7.248 1.379 5.589 1.00 0.00 H new ATOM 0 HG22 ILE A 21 5.851 1.381 4.485 1.00 0.00 H new ATOM 0 HG23 ILE A 21 7.449 1.903 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.992 4.375 7.296 1.00 0.00 H new ATOM 0 HD12 ILE A 21 7.267 4.177 7.689 1.00 0.00 H new ATOM 0 HD13 ILE A 21 8.242 2.762 7.224 1.00 0.00 H new ATOM 292 N CYS A 22 4.734 2.408 2.586 1.00 0.00 N ATOM 293 CA CYS A 22 3.636 1.599 2.070 1.00 0.00 C ATOM 294 C CYS A 22 2.861 0.944 3.210 1.00 0.00 C ATOM 295 O CYS A 22 3.446 0.488 4.193 1.00 0.00 O ATOM 296 CB CYS A 22 4.170 0.525 1.119 1.00 0.00 C ATOM 297 SG CYS A 22 3.029 0.100 -0.236 1.00 0.00 S ATOM 0 H CYS A 22 5.636 2.225 2.145 1.00 0.00 H new ATOM 0 HA CYS A 22 2.959 2.256 1.523 1.00 0.00 H new ATOM 0 HB2 CYS A 22 5.112 0.868 0.692 1.00 0.00 H new ATOM 0 HB3 CYS A 22 4.389 -0.376 1.692 1.00 0.00 H new ATOM 302 N VAL A 23 1.540 0.901 3.071 1.00 0.00 N ATOM 303 CA VAL A 23 0.683 0.301 4.088 1.00 0.00 C ATOM 304 C VAL A 23 0.403 -1.164 3.775 1.00 0.00 C ATOM 305 O VAL A 23 -0.260 -1.859 4.546 1.00 0.00 O ATOM 306 CB VAL A 23 -0.655 1.054 4.210 1.00 0.00 C ATOM 307 CG1 VAL A 23 -0.440 2.431 4.819 1.00 0.00 C ATOM 308 CG2 VAL A 23 -1.330 1.163 2.851 1.00 0.00 C ATOM 0 H VAL A 23 1.039 1.274 2.264 1.00 0.00 H new ATOM 0 HA VAL A 23 1.218 0.371 5.035 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.311 0.489 4.872 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -1.397 2.948 4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -0.002 2.326 5.812 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.233 3.008 4.185 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -2.274 1.698 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.680 1.705 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.520 0.164 2.458 1.00 0.00 H new ATOM 318 N VAL A 24 0.913 -1.629 2.639 1.00 0.00 N ATOM 319 CA VAL A 24 0.719 -3.013 2.224 1.00 0.00 C ATOM 320 C VAL A 24 2.053 -3.738 2.087 1.00 0.00 C ATOM 321 O VAL A 24 2.130 -4.956 2.249 1.00 0.00 O ATOM 322 CB VAL A 24 -0.039 -3.097 0.886 1.00 0.00 C ATOM 323 CG1 VAL A 24 -1.465 -2.595 1.047 1.00 0.00 C ATOM 324 CG2 VAL A 24 0.694 -2.311 -0.191 1.00 0.00 C ATOM 0 H VAL A 24 1.464 -1.067 1.990 1.00 0.00 H new ATOM 0 HA VAL A 24 0.125 -3.496 3.000 1.00 0.00 H new ATOM 0 HB VAL A 24 -0.081 -4.141 0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.984 -2.662 0.091 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.984 -3.205 1.786 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -1.450 -1.557 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 24 0.145 -2.381 -1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 24 0.769 -1.266 0.109 1.00 0.00 H new ATOM 0 HG23 VAL A 24 1.694 -2.723 -0.324 1.00 0.00 H new ATOM 334 N CYS A 25 3.103 -2.981 1.787 1.00 0.00 N ATOM 335 CA CYS A 25 4.436 -3.550 1.627 1.00 0.00 C ATOM 336 C CYS A 25 5.250 -3.395 2.908 1.00 0.00 C ATOM 337 O CYS A 25 5.389 -4.337 3.687 1.00 0.00 O ATOM 338 CB CYS A 25 5.164 -2.877 0.462 1.00 0.00 C ATOM 339 SG CYS A 25 4.387 -3.156 -1.162 1.00 0.00 S ATOM 0 H CYS A 25 3.057 -1.971 1.650 1.00 0.00 H new ATOM 0 HA CYS A 25 4.327 -4.613 1.413 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.213 -1.804 0.650 1.00 0.00 H new ATOM 0 HB3 CYS A 25 6.190 -3.243 0.429 1.00 0.00 H new ATOM 344 N GLY A 26 5.787 -2.197 3.120 1.00 0.00 N ATOM 345 CA GLY A 26 6.581 -1.940 4.308 1.00 0.00 C ATOM 346 C GLY A 26 7.972 -1.435 3.978 1.00 0.00 C ATOM 347 O GLY A 26 8.967 -1.979 4.456 1.00 0.00 O ATOM 0 H GLY A 26 5.687 -1.400 2.491 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.070 -1.206 4.931 1.00 0.00 H new ATOM 0 HA3 GLY A 26 6.660 -2.856 4.894 1.00 0.00 H new ATOM 351 N ARG A 27 8.042 -0.392 3.156 1.00 0.00 N ATOM 352 CA ARG A 27 9.321 0.184 2.760 1.00 0.00 C ATOM 353 C ARG A 27 9.224 1.703 2.656 1.00 0.00 C ATOM 354 O ARG A 27 9.732 2.427 3.512 1.00 0.00 O ATOM 355 CB ARG A 27 9.775 -0.401 1.421 1.00 0.00 C ATOM 356 CG ARG A 27 9.961 -1.910 1.448 1.00 0.00 C ATOM 357 CD ARG A 27 11.246 -2.301 2.160 1.00 0.00 C ATOM 358 NE ARG A 27 12.267 -2.771 1.228 1.00 0.00 N ATOM 359 CZ ARG A 27 13.470 -3.190 1.605 1.00 0.00 C ATOM 360 NH1 ARG A 27 13.799 -3.199 2.889 1.00 0.00 N ATOM 361 NH2 ARG A 27 14.345 -3.603 0.697 1.00 0.00 N ATOM 0 H ARG A 27 7.228 0.071 2.752 1.00 0.00 H new ATOM 0 HA ARG A 27 10.056 -0.065 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.041 -0.147 0.656 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.715 0.067 1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.111 -2.373 1.949 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.978 -2.294 0.428 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.628 -1.444 2.714 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.033 -3.083 2.889 1.00 0.00 H new ATOM 0 HE ARG A 27 12.044 -2.778 0.233 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.128 -2.884 3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.723 -3.521 3.176 1.00 0.00 H new ATOM 0 HH21 ARG A 27 14.094 -3.599 -0.292 1.00 0.00 H new ATOM 0 HH22 ARG A 27 15.268 -3.924 0.988 1.00 0.00 H new ATOM 375 N TYR A 28 8.569 2.178 1.603 1.00 0.00 N ATOM 376 CA TYR A 28 8.408 3.611 1.386 1.00 0.00 C ATOM 377 C TYR A 28 7.155 3.900 0.565 1.00 0.00 C ATOM 378 O TYR A 28 6.759 3.105 -0.287 1.00 0.00 O ATOM 379 CB TYR A 28 9.638 4.182 0.678 1.00 0.00 C ATOM 380 CG TYR A 28 9.466 5.615 0.226 1.00 0.00 C ATOM 381 CD1 TYR A 28 9.351 6.646 1.150 1.00 0.00 C ATOM 382 CD2 TYR A 28 9.417 5.937 -1.125 1.00 0.00 C ATOM 383 CE1 TYR A 28 9.192 7.957 0.742 1.00 0.00 C ATOM 384 CE2 TYR A 28 9.261 7.244 -1.542 1.00 0.00 C ATOM 385 CZ TYR A 28 9.148 8.251 -0.605 1.00 0.00 C ATOM 386 OH TYR A 28 8.991 9.554 -1.017 1.00 0.00 O ATOM 0 H TYR A 28 8.141 1.592 0.886 1.00 0.00 H new ATOM 0 HA TYR A 28 8.302 4.091 2.359 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.494 4.122 1.350 1.00 0.00 H new ATOM 0 HB3 TYR A 28 9.869 3.562 -0.188 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.386 6.419 2.205 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.502 5.152 -1.861 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.103 8.747 1.474 1.00 0.00 H new ATOM 0 HE2 TYR A 28 9.228 7.477 -2.596 1.00 0.00 H new ATOM 0 HH TYR A 28 8.981 9.589 -1.996 1.00 0.00 H new ATOM 396 N GLY A 29 6.535 5.047 0.827 1.00 0.00 N ATOM 397 CA GLY A 29 5.333 5.423 0.105 1.00 0.00 C ATOM 398 C GLY A 29 5.540 6.645 -0.767 1.00 0.00 C ATOM 399 O GLY A 29 5.182 7.757 -0.382 1.00 0.00 O ATOM 0 H GLY A 29 6.844 5.722 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 29 5.009 4.588 -0.516 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.532 5.620 0.817 1.00 0.00 H new ATOM 403 N GLU A 30 6.121 6.438 -1.945 1.00 0.00 N ATOM 404 CA GLU A 30 6.376 7.534 -2.873 1.00 0.00 C ATOM 405 C GLU A 30 5.070 8.185 -3.319 1.00 0.00 C ATOM 406 O GLU A 30 5.059 9.328 -3.775 1.00 0.00 O ATOM 407 CB GLU A 30 7.150 7.029 -4.093 1.00 0.00 C ATOM 408 CG GLU A 30 7.695 8.142 -4.971 1.00 0.00 C ATOM 409 CD GLU A 30 8.303 7.623 -6.260 1.00 0.00 C ATOM 410 OE1 GLU A 30 7.960 6.492 -6.664 1.00 0.00 O ATOM 411 OE2 GLU A 30 9.122 8.347 -6.864 1.00 0.00 O ATOM 0 H GLU A 30 6.424 5.523 -2.279 1.00 0.00 H new ATOM 0 HA GLU A 30 6.976 8.282 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU A 30 7.978 6.406 -3.755 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.496 6.394 -4.690 1.00 0.00 H new ATOM 0 HG2 GLU A 30 6.892 8.840 -5.208 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.449 8.701 -4.417 1.00 0.00 H new ATOM 418 N TYR A 31 3.973 7.449 -3.184 1.00 0.00 N ATOM 419 CA TYR A 31 2.662 7.952 -3.576 1.00 0.00 C ATOM 420 C TYR A 31 1.739 8.066 -2.366 1.00 0.00 C ATOM 421 O TYR A 31 1.813 7.262 -1.437 1.00 0.00 O ATOM 422 CB TYR A 31 2.033 7.035 -4.626 1.00 0.00 C ATOM 423 CG TYR A 31 2.820 6.963 -5.915 1.00 0.00 C ATOM 424 CD1 TYR A 31 3.365 8.107 -6.485 1.00 0.00 C ATOM 425 CD2 TYR A 31 3.020 5.750 -6.562 1.00 0.00 C ATOM 426 CE1 TYR A 31 4.083 8.045 -7.663 1.00 0.00 C ATOM 427 CE2 TYR A 31 3.739 5.678 -7.740 1.00 0.00 C ATOM 428 CZ TYR A 31 4.268 6.829 -8.287 1.00 0.00 C ATOM 429 OH TYR A 31 4.985 6.763 -9.460 1.00 0.00 O ATOM 0 H TYR A 31 3.965 6.502 -2.806 1.00 0.00 H new ATOM 0 HA TYR A 31 2.795 8.945 -4.004 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.939 6.032 -4.211 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.024 7.385 -4.845 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.225 9.061 -5.998 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.606 4.847 -6.137 1.00 0.00 H new ATOM 0 HE1 TYR A 31 4.498 8.944 -8.094 1.00 0.00 H new ATOM 0 HE2 TYR A 31 3.886 4.727 -8.229 1.00 0.00 H new ATOM 0 HH TYR A 31 5.023 5.834 -9.768 1.00 0.00 H new ATOM 439 N ILE A 32 0.870 9.071 -2.386 1.00 0.00 N ATOM 440 CA ILE A 32 -0.069 9.291 -1.293 1.00 0.00 C ATOM 441 C ILE A 32 -1.449 9.668 -1.821 1.00 0.00 C ATOM 442 O ILE A 32 -1.587 10.590 -2.626 1.00 0.00 O ATOM 443 CB ILE A 32 0.424 10.397 -0.342 1.00 0.00 C ATOM 444 CG1 ILE A 32 1.722 9.969 0.345 1.00 0.00 C ATOM 445 CG2 ILE A 32 -0.645 10.722 0.691 1.00 0.00 C ATOM 446 CD1 ILE A 32 2.968 10.464 -0.356 1.00 0.00 C ATOM 0 H ILE A 32 0.797 9.746 -3.147 1.00 0.00 H new ATOM 0 HA ILE A 32 -0.137 8.353 -0.742 1.00 0.00 H new ATOM 0 HB ILE A 32 0.623 11.295 -0.926 1.00 0.00 H new ATOM 0 HG12 ILE A 32 1.720 10.339 1.370 1.00 0.00 H new ATOM 0 HG13 ILE A 32 1.753 8.881 0.399 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.282 11.505 1.356 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -1.548 11.065 0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -0.872 9.829 1.273 1.00 0.00 H new ATOM 0 HD11 ILE A 32 3.850 10.123 0.186 1.00 0.00 H new ATOM 0 HD12 ILE A 32 2.993 10.073 -1.373 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.960 11.554 -0.387 1.00 0.00 H new ATOM 458 N CYS A 33 -2.468 8.950 -1.363 1.00 0.00 N ATOM 459 CA CYS A 33 -3.839 9.209 -1.788 1.00 0.00 C ATOM 460 C CYS A 33 -4.343 10.532 -1.220 1.00 0.00 C ATOM 461 O CYS A 33 -3.598 11.263 -0.569 1.00 0.00 O ATOM 462 CB CYS A 33 -4.756 8.068 -1.347 1.00 0.00 C ATOM 463 SG CYS A 33 -5.937 7.539 -2.610 1.00 0.00 S ATOM 0 H CYS A 33 -2.371 8.184 -0.697 1.00 0.00 H new ATOM 0 HA CYS A 33 -3.850 9.274 -2.876 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -4.143 7.214 -1.058 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -5.306 8.381 -0.459 1.00 0.00 H new ATOM 0 HG CYS A 33 -7.085 7.289 -2.053 1.00 0.00 H new ATOM 469 N ASP A 34 -5.612 10.833 -1.474 1.00 0.00 N ATOM 470 CA ASP A 34 -6.216 12.068 -0.988 1.00 0.00 C ATOM 471 C ASP A 34 -7.274 11.776 0.072 1.00 0.00 C ATOM 472 O ASP A 34 -7.186 12.258 1.201 1.00 0.00 O ATOM 473 CB ASP A 34 -6.840 12.845 -2.148 1.00 0.00 C ATOM 474 CG ASP A 34 -6.137 14.163 -2.407 1.00 0.00 C ATOM 475 OD1 ASP A 34 -6.135 15.023 -1.500 1.00 0.00 O ATOM 476 OD2 ASP A 34 -5.588 14.335 -3.515 1.00 0.00 O ATOM 0 H ASP A 34 -6.242 10.239 -2.013 1.00 0.00 H new ATOM 0 HA ASP A 34 -5.431 12.674 -0.535 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -6.805 12.235 -3.050 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.891 13.034 -1.931 1.00 0.00 H new ATOM 481 N LYS A 35 -8.274 10.984 -0.300 1.00 0.00 N ATOM 482 CA LYS A 35 -9.349 10.627 0.617 1.00 0.00 C ATOM 483 C LYS A 35 -8.795 9.954 1.869 1.00 0.00 C ATOM 484 O LYS A 35 -9.084 10.371 2.991 1.00 0.00 O ATOM 485 CB LYS A 35 -10.349 9.697 -0.074 1.00 0.00 C ATOM 486 CG LYS A 35 -11.145 10.372 -1.177 1.00 0.00 C ATOM 487 CD LYS A 35 -11.703 9.359 -2.163 1.00 0.00 C ATOM 488 CE LYS A 35 -12.647 10.013 -3.160 1.00 0.00 C ATOM 489 NZ LYS A 35 -13.935 10.410 -2.526 1.00 0.00 N ATOM 0 H LYS A 35 -8.362 10.577 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 35 -9.859 11.544 0.913 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.812 8.847 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -11.039 9.302 0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -11.963 10.943 -0.739 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.508 11.082 -1.705 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.883 8.880 -2.697 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -12.231 8.575 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.168 10.892 -3.591 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.844 9.323 -3.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -14.617 10.678 -3.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -14.313 9.611 -1.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.775 11.219 -1.892 1.00 0.00 H new ATOM 503 N THR A 36 -7.995 8.911 1.670 1.00 0.00 N ATOM 504 CA THR A 36 -7.400 8.181 2.783 1.00 0.00 C ATOM 505 C THR A 36 -6.070 8.799 3.197 1.00 0.00 C ATOM 506 O THR A 36 -5.638 8.657 4.341 1.00 0.00 O ATOM 507 CB THR A 36 -7.177 6.699 2.427 1.00 0.00 C ATOM 508 OG1 THR A 36 -6.891 6.568 1.030 1.00 0.00 O ATOM 509 CG2 THR A 36 -8.401 5.867 2.779 1.00 0.00 C ATOM 0 H THR A 36 -7.744 8.553 0.748 1.00 0.00 H new ATOM 0 HA THR A 36 -8.101 8.245 3.615 1.00 0.00 H new ATOM 0 HB THR A 36 -6.330 6.333 3.007 1.00 0.00 H new ATOM 0 HG1 THR A 36 -6.308 5.793 0.887 1.00 0.00 H new ATOM 0 HG21 THR A 36 -8.219 4.824 2.518 1.00 0.00 H new ATOM 0 HG22 THR A 36 -8.599 5.945 3.848 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.263 6.235 2.223 1.00 0.00 H new ATOM 517 N ASP A 37 -5.424 9.484 2.260 1.00 0.00 N ATOM 518 CA ASP A 37 -4.142 10.126 2.528 1.00 0.00 C ATOM 519 C ASP A 37 -3.092 9.094 2.927 1.00 0.00 C ATOM 520 O ASP A 37 -2.067 9.435 3.516 1.00 0.00 O ATOM 521 CB ASP A 37 -4.293 11.172 3.633 1.00 0.00 C ATOM 522 CG ASP A 37 -5.506 12.058 3.430 1.00 0.00 C ATOM 523 OD1 ASP A 37 -6.624 11.622 3.774 1.00 0.00 O ATOM 524 OD2 ASP A 37 -5.336 13.189 2.928 1.00 0.00 O ATOM 0 H ASP A 37 -5.767 9.609 1.308 1.00 0.00 H new ATOM 0 HA ASP A 37 -3.812 10.620 1.614 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -4.371 10.669 4.597 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -3.396 11.791 3.668 1.00 0.00 H new ATOM 529 N GLU A 38 -3.355 7.832 2.601 1.00 0.00 N ATOM 530 CA GLU A 38 -2.432 6.751 2.927 1.00 0.00 C ATOM 531 C GLU A 38 -1.116 6.913 2.172 1.00 0.00 C ATOM 532 O GLU A 38 -0.862 7.952 1.561 1.00 0.00 O ATOM 533 CB GLU A 38 -3.060 5.396 2.594 1.00 0.00 C ATOM 534 CG GLU A 38 -3.018 4.406 3.746 1.00 0.00 C ATOM 535 CD GLU A 38 -3.973 4.772 4.865 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.529 5.890 4.828 1.00 0.00 O ATOM 537 OE2 GLU A 38 -4.165 3.941 5.778 1.00 0.00 O ATOM 0 H GLU A 38 -4.199 7.533 2.112 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.225 6.795 3.996 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.097 5.549 2.295 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.542 4.966 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.264 3.411 3.374 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.003 4.357 4.141 1.00 0.00 H new ATOM 544 N ASP A 39 -0.282 5.880 2.220 1.00 0.00 N ATOM 545 CA ASP A 39 1.008 5.906 1.541 1.00 0.00 C ATOM 546 C ASP A 39 1.266 4.590 0.814 1.00 0.00 C ATOM 547 O ASP A 39 1.060 3.511 1.369 1.00 0.00 O ATOM 548 CB ASP A 39 2.131 6.178 2.543 1.00 0.00 C ATOM 549 CG ASP A 39 1.856 7.396 3.404 1.00 0.00 C ATOM 550 OD1 ASP A 39 1.793 8.513 2.849 1.00 0.00 O ATOM 551 OD2 ASP A 39 1.703 7.231 4.632 1.00 0.00 O ATOM 0 H ASP A 39 -0.476 5.014 2.722 1.00 0.00 H new ATOM 0 HA ASP A 39 0.987 6.709 0.805 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.262 5.306 3.184 1.00 0.00 H new ATOM 0 HB3 ASP A 39 3.068 6.321 2.004 1.00 0.00 H new ATOM 556 N VAL A 40 1.717 4.687 -0.433 1.00 0.00 N ATOM 557 CA VAL A 40 2.004 3.505 -1.237 1.00 0.00 C ATOM 558 C VAL A 40 3.236 3.718 -2.108 1.00 0.00 C ATOM 559 O VAL A 40 3.656 4.852 -2.342 1.00 0.00 O ATOM 560 CB VAL A 40 0.809 3.135 -2.136 1.00 0.00 C ATOM 561 CG1 VAL A 40 -0.293 2.480 -1.318 1.00 0.00 C ATOM 562 CG2 VAL A 40 0.287 4.367 -2.860 1.00 0.00 C ATOM 0 H VAL A 40 1.891 5.572 -0.908 1.00 0.00 H new ATOM 0 HA VAL A 40 2.193 2.687 -0.542 1.00 0.00 H new ATOM 0 HB VAL A 40 1.147 2.418 -2.884 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.128 2.226 -1.970 1.00 0.00 H new ATOM 0 HG12 VAL A 40 0.091 1.573 -0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.633 3.171 -0.546 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.557 4.088 -3.491 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.036 5.109 -2.130 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.079 4.788 -3.479 1.00 0.00 H new ATOM 572 N CYS A 41 3.812 2.621 -2.588 1.00 0.00 N ATOM 573 CA CYS A 41 4.997 2.686 -3.435 1.00 0.00 C ATOM 574 C CYS A 41 4.615 2.615 -4.910 1.00 0.00 C ATOM 575 O CYS A 41 5.212 3.289 -5.750 1.00 0.00 O ATOM 576 CB CYS A 41 5.959 1.547 -3.090 1.00 0.00 C ATOM 577 SG CYS A 41 5.271 -0.117 -3.367 1.00 0.00 S ATOM 0 H CYS A 41 3.477 1.675 -2.405 1.00 0.00 H new ATOM 0 HA CYS A 41 5.493 3.639 -3.252 1.00 0.00 H new ATOM 0 HB2 CYS A 41 6.865 1.658 -3.686 1.00 0.00 H new ATOM 0 HB3 CYS A 41 6.252 1.638 -2.044 1.00 0.00 H new ATOM 582 N SER A 42 3.617 1.793 -5.219 1.00 0.00 N ATOM 583 CA SER A 42 3.158 1.631 -6.594 1.00 0.00 C ATOM 584 C SER A 42 1.677 1.978 -6.716 1.00 0.00 C ATOM 585 O SER A 42 1.054 2.439 -5.759 1.00 0.00 O ATOM 586 CB SER A 42 3.398 0.196 -7.068 1.00 0.00 C ATOM 587 OG SER A 42 4.781 -0.110 -7.088 1.00 0.00 O ATOM 0 H SER A 42 3.111 1.229 -4.536 1.00 0.00 H new ATOM 0 HA SER A 42 3.727 2.314 -7.224 1.00 0.00 H new ATOM 0 HB2 SER A 42 2.878 -0.500 -6.409 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.979 0.064 -8.066 1.00 0.00 H new ATOM 0 HG SER A 42 4.907 -1.033 -7.393 1.00 0.00 H new ATOM 593 N LEU A 43 1.119 1.753 -7.901 1.00 0.00 N ATOM 594 CA LEU A 43 -0.289 2.041 -8.151 1.00 0.00 C ATOM 595 C LEU A 43 -1.173 0.898 -7.664 1.00 0.00 C ATOM 596 O LEU A 43 -2.295 1.119 -7.209 1.00 0.00 O ATOM 597 CB LEU A 43 -0.523 2.284 -9.643 1.00 0.00 C ATOM 598 CG LEU A 43 -0.389 3.731 -10.117 1.00 0.00 C ATOM 599 CD1 LEU A 43 -0.626 3.826 -11.616 1.00 0.00 C ATOM 600 CD2 LEU A 43 -1.358 4.631 -9.364 1.00 0.00 C ATOM 0 H LEU A 43 1.620 1.372 -8.704 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.555 2.942 -7.597 1.00 0.00 H new ATOM 0 HB2 LEU A 43 0.182 1.672 -10.205 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -1.523 1.931 -9.896 1.00 0.00 H new ATOM 0 HG LEU A 43 0.626 4.069 -9.908 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.526 4.863 -11.935 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.108 3.213 -12.140 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.629 3.469 -11.849 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -1.249 5.657 -9.714 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.380 4.294 -9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -1.141 4.587 -8.297 1.00 0.00 H new ATOM 612 N GLU A 44 -0.659 -0.324 -7.763 1.00 0.00 N ATOM 613 CA GLU A 44 -1.403 -1.502 -7.332 1.00 0.00 C ATOM 614 C GLU A 44 -1.655 -1.465 -5.827 1.00 0.00 C ATOM 615 O GLU A 44 -2.705 -1.899 -5.351 1.00 0.00 O ATOM 616 CB GLU A 44 -0.642 -2.777 -7.701 1.00 0.00 C ATOM 617 CG GLU A 44 -1.315 -4.050 -7.215 1.00 0.00 C ATOM 618 CD GLU A 44 -0.601 -5.302 -7.684 1.00 0.00 C ATOM 619 OE1 GLU A 44 -0.768 -5.676 -8.864 1.00 0.00 O ATOM 620 OE2 GLU A 44 0.127 -5.909 -6.870 1.00 0.00 O ATOM 0 H GLU A 44 0.268 -0.524 -8.137 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.365 -1.500 -7.845 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -0.533 -2.824 -8.785 1.00 0.00 H new ATOM 0 HB3 GLU A 44 0.363 -2.724 -7.282 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -1.352 -4.044 -6.126 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -2.346 -4.070 -7.569 1.00 0.00 H new ATOM 627 N CYS A 45 -0.685 -0.945 -5.083 1.00 0.00 N ATOM 628 CA CYS A 45 -0.799 -0.852 -3.633 1.00 0.00 C ATOM 629 C CYS A 45 -1.895 0.134 -3.235 1.00 0.00 C ATOM 630 O CYS A 45 -2.592 -0.064 -2.240 1.00 0.00 O ATOM 631 CB CYS A 45 0.536 -0.421 -3.022 1.00 0.00 C ATOM 632 SG CYS A 45 1.904 -1.584 -3.329 1.00 0.00 S ATOM 0 H CYS A 45 0.190 -0.581 -5.461 1.00 0.00 H new ATOM 0 HA CYS A 45 -1.065 -1.838 -3.251 1.00 0.00 H new ATOM 0 HB2 CYS A 45 0.808 0.556 -3.421 1.00 0.00 H new ATOM 0 HB3 CYS A 45 0.409 -0.302 -1.946 1.00 0.00 H new ATOM 637 N LYS A 46 -2.041 1.195 -4.021 1.00 0.00 N ATOM 638 CA LYS A 46 -3.051 2.212 -3.754 1.00 0.00 C ATOM 639 C LYS A 46 -4.442 1.590 -3.677 1.00 0.00 C ATOM 640 O LYS A 46 -5.074 1.588 -2.622 1.00 0.00 O ATOM 641 CB LYS A 46 -3.022 3.288 -4.841 1.00 0.00 C ATOM 642 CG LYS A 46 -4.219 4.221 -4.806 1.00 0.00 C ATOM 643 CD LYS A 46 -3.897 5.567 -5.435 1.00 0.00 C ATOM 644 CE LYS A 46 -4.920 5.947 -6.494 1.00 0.00 C ATOM 645 NZ LYS A 46 -4.342 6.854 -7.523 1.00 0.00 N ATOM 0 H LYS A 46 -1.472 1.373 -4.849 1.00 0.00 H new ATOM 0 HA LYS A 46 -2.823 2.671 -2.792 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.111 3.876 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -2.977 2.805 -5.817 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.054 3.762 -5.335 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.537 4.368 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.871 6.334 -4.661 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -2.904 5.532 -5.883 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -5.296 5.045 -6.976 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.772 6.433 -6.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -5.071 7.090 -8.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.006 7.726 -7.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -3.545 6.381 -7.995 1.00 0.00 H new ATOM 659 N ALA A 47 -4.911 1.061 -4.802 1.00 0.00 N ATOM 660 CA ALA A 47 -6.225 0.432 -4.861 1.00 0.00 C ATOM 661 C ALA A 47 -6.303 -0.766 -3.921 1.00 0.00 C ATOM 662 O ALA A 47 -7.369 -1.088 -3.396 1.00 0.00 O ATOM 663 CB ALA A 47 -6.544 0.008 -6.288 1.00 0.00 C ATOM 0 H ALA A 47 -4.401 1.055 -5.685 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.965 1.163 -4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -7.528 -0.460 -6.317 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.539 0.883 -6.937 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.793 -0.703 -6.633 1.00 0.00 H new ATOM 669 N LYS A 48 -5.168 -1.424 -3.714 1.00 0.00 N ATOM 670 CA LYS A 48 -5.106 -2.587 -2.837 1.00 0.00 C ATOM 671 C LYS A 48 -5.515 -2.218 -1.414 1.00 0.00 C ATOM 672 O LYS A 48 -6.046 -3.048 -0.675 1.00 0.00 O ATOM 673 CB LYS A 48 -3.694 -3.177 -2.836 1.00 0.00 C ATOM 674 CG LYS A 48 -3.527 -4.356 -3.779 1.00 0.00 C ATOM 675 CD LYS A 48 -2.254 -5.131 -3.483 1.00 0.00 C ATOM 676 CE LYS A 48 -2.377 -5.935 -2.198 1.00 0.00 C ATOM 677 NZ LYS A 48 -2.680 -7.368 -2.466 1.00 0.00 N ATOM 0 H LYS A 48 -4.277 -1.171 -4.142 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.805 -3.333 -3.215 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.984 -2.398 -3.112 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.442 -3.494 -1.824 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -4.387 -5.019 -3.689 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -3.506 -3.999 -4.809 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -2.034 -5.802 -4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -1.416 -4.439 -3.402 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -1.448 -5.860 -1.633 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -3.164 -5.508 -1.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.756 -7.881 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.579 -7.442 -2.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.917 -7.783 -3.038 1.00 0.00 H new ATOM 691 N HIS A 49 -5.266 -0.968 -1.037 1.00 0.00 N ATOM 692 CA HIS A 49 -5.610 -0.489 0.297 1.00 0.00 C ATOM 693 C HIS A 49 -6.984 0.175 0.298 1.00 0.00 C ATOM 694 O HIS A 49 -7.748 0.043 1.255 1.00 0.00 O ATOM 695 CB HIS A 49 -4.554 0.498 0.795 1.00 0.00 C ATOM 696 CG HIS A 49 -4.960 1.234 2.035 1.00 0.00 C ATOM 697 ND1 HIS A 49 -4.901 0.676 3.295 1.00 0.00 N ATOM 698 CD2 HIS A 49 -5.431 2.492 2.204 1.00 0.00 C ATOM 699 CE1 HIS A 49 -5.320 1.558 4.184 1.00 0.00 C ATOM 700 NE2 HIS A 49 -5.647 2.669 3.548 1.00 0.00 N ATOM 0 H HIS A 49 -4.827 -0.269 -1.636 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.640 -1.347 0.968 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.627 -0.042 0.990 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -4.343 1.220 0.006 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -4.583 -0.270 3.507 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -5.605 3.221 1.426 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -5.384 1.398 5.250 1.00 0.00 H new ATOM 708 N LEU A 50 -7.292 0.888 -0.780 1.00 0.00 N ATOM 709 CA LEU A 50 -8.574 1.573 -0.903 1.00 0.00 C ATOM 710 C LEU A 50 -9.728 0.577 -0.879 1.00 0.00 C ATOM 711 O LEU A 50 -10.646 0.693 -0.066 1.00 0.00 O ATOM 712 CB LEU A 50 -8.616 2.389 -2.197 1.00 0.00 C ATOM 713 CG LEU A 50 -7.664 3.583 -2.269 1.00 0.00 C ATOM 714 CD1 LEU A 50 -7.879 4.360 -3.558 1.00 0.00 C ATOM 715 CD2 LEU A 50 -7.852 4.489 -1.060 1.00 0.00 C ATOM 0 H LEU A 50 -6.672 1.007 -1.581 1.00 0.00 H new ATOM 0 HA LEU A 50 -8.682 2.246 -0.052 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.394 1.722 -3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -9.634 2.752 -2.341 1.00 0.00 H new ATOM 0 HG LEU A 50 -6.641 3.208 -2.261 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.193 5.206 -3.592 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -7.693 3.708 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -8.906 4.724 -3.597 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -7.166 5.334 -1.128 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -8.878 4.856 -1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.646 3.927 -0.149 1.00 0.00 H new ATOM 727 N LEU A 51 -9.675 -0.404 -1.773 1.00 0.00 N ATOM 728 CA LEU A 51 -10.716 -1.423 -1.854 1.00 0.00 C ATOM 729 C LEU A 51 -10.771 -2.247 -0.571 1.00 0.00 C ATOM 730 O LEU A 51 -11.748 -2.951 -0.317 1.00 0.00 O ATOM 731 CB LEU A 51 -10.467 -2.341 -3.052 1.00 0.00 C ATOM 732 CG LEU A 51 -9.851 -3.704 -2.737 1.00 0.00 C ATOM 733 CD1 LEU A 51 -9.817 -4.575 -3.983 1.00 0.00 C ATOM 734 CD2 LEU A 51 -8.452 -3.538 -2.162 1.00 0.00 C ATOM 0 H LEU A 51 -8.922 -0.516 -2.452 1.00 0.00 H new ATOM 0 HA LEU A 51 -11.674 -0.919 -1.983 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.416 -2.503 -3.563 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.812 -1.822 -3.752 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.473 -4.198 -1.990 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -9.375 -5.541 -3.740 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -10.832 -4.723 -4.352 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.219 -4.086 -4.752 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -8.030 -4.519 -1.944 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -7.820 -3.023 -2.886 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -8.503 -2.953 -1.244 1.00 0.00 H new ATOM 746 N GLN A 52 -9.717 -2.151 0.234 1.00 0.00 N ATOM 747 CA GLN A 52 -9.648 -2.886 1.491 1.00 0.00 C ATOM 748 C GLN A 52 -10.241 -2.069 2.634 1.00 0.00 C ATOM 749 O GLN A 52 -10.697 -2.621 3.635 1.00 0.00 O ATOM 750 CB GLN A 52 -8.198 -3.255 1.810 1.00 0.00 C ATOM 751 CG GLN A 52 -7.788 -4.622 1.286 1.00 0.00 C ATOM 752 CD GLN A 52 -7.818 -5.692 2.359 1.00 0.00 C ATOM 753 OE1 GLN A 52 -8.771 -6.466 2.453 1.00 0.00 O ATOM 754 NE2 GLN A 52 -6.773 -5.741 3.177 1.00 0.00 N ATOM 0 H GLN A 52 -8.900 -1.572 0.038 1.00 0.00 H new ATOM 0 HA GLN A 52 -10.233 -3.799 1.382 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.538 -2.499 1.385 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.055 -3.232 2.890 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.454 -4.910 0.473 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.783 -4.560 0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.005 -5.080 3.063 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.739 -6.440 3.919 1.00 0.00 H new ATOM 763 N VAL A 53 -10.231 -0.749 2.477 1.00 0.00 N ATOM 764 CA VAL A 53 -10.768 0.146 3.496 1.00 0.00 C ATOM 765 C VAL A 53 -12.281 0.279 3.367 1.00 0.00 C ATOM 766 O VAL A 53 -12.974 0.589 4.337 1.00 0.00 O ATOM 767 CB VAL A 53 -10.131 1.545 3.406 1.00 0.00 C ATOM 768 CG1 VAL A 53 -10.765 2.486 4.420 1.00 0.00 C ATOM 769 CG2 VAL A 53 -8.627 1.460 3.614 1.00 0.00 C ATOM 0 H VAL A 53 -9.857 -0.276 1.654 1.00 0.00 H new ATOM 0 HA VAL A 53 -10.526 -0.293 4.464 1.00 0.00 H new ATOM 0 HB VAL A 53 -10.315 1.945 2.409 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -10.303 3.470 4.342 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -11.833 2.570 4.220 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -10.614 2.093 5.425 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -8.193 2.458 3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -8.419 1.039 4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -8.189 0.822 2.846 1.00 0.00 H new ATOM 779 N LYS A 54 -12.790 0.042 2.163 1.00 0.00 N ATOM 780 CA LYS A 54 -14.223 0.133 1.905 1.00 0.00 C ATOM 781 C LYS A 54 -14.996 -0.850 2.778 1.00 0.00 C ATOM 782 O LYS A 54 -16.177 -0.649 3.057 1.00 0.00 O ATOM 783 CB LYS A 54 -14.514 -0.141 0.428 1.00 0.00 C ATOM 784 CG LYS A 54 -13.971 0.925 -0.507 1.00 0.00 C ATOM 785 CD LYS A 54 -14.609 2.278 -0.241 1.00 0.00 C ATOM 786 CE LYS A 54 -14.728 3.099 -1.517 1.00 0.00 C ATOM 787 NZ LYS A 54 -16.149 3.364 -1.875 1.00 0.00 N ATOM 0 H LYS A 54 -12.231 -0.215 1.349 1.00 0.00 H new ATOM 0 HA LYS A 54 -14.548 1.144 2.151 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -14.085 -1.105 0.155 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -15.592 -0.221 0.287 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -12.891 1.001 -0.385 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -14.155 0.632 -1.541 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -15.598 2.136 0.195 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -14.014 2.825 0.490 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -14.203 4.046 -1.390 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -14.240 2.571 -2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -16.188 3.926 -2.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -16.644 2.461 -2.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -16.609 3.890 -1.105 1.00 0.00 H new ATOM 801 N GLU A 55 -14.321 -1.913 3.206 1.00 0.00 N ATOM 802 CA GLU A 55 -14.946 -2.926 4.048 1.00 0.00 C ATOM 803 C GLU A 55 -15.557 -2.295 5.296 1.00 0.00 C ATOM 804 O GLU A 55 -16.509 -2.824 5.870 1.00 0.00 O ATOM 805 CB GLU A 55 -13.922 -3.990 4.449 1.00 0.00 C ATOM 806 CG GLU A 55 -12.930 -3.514 5.497 1.00 0.00 C ATOM 807 CD GLU A 55 -13.373 -3.838 6.910 1.00 0.00 C ATOM 808 OE1 GLU A 55 -14.516 -4.311 7.079 1.00 0.00 O ATOM 809 OE2 GLU A 55 -12.577 -3.618 7.847 1.00 0.00 O ATOM 0 H GLU A 55 -13.342 -2.094 2.983 1.00 0.00 H new ATOM 0 HA GLU A 55 -15.743 -3.398 3.474 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -14.449 -4.864 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -13.375 -4.309 3.562 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.960 -3.975 5.310 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -12.795 -2.437 5.401 1.00 0.00 H new ATOM 816 N LYS A 56 -15.003 -1.161 5.710 1.00 0.00 N ATOM 817 CA LYS A 56 -15.492 -0.456 6.889 1.00 0.00 C ATOM 818 C LYS A 56 -16.998 -0.230 6.802 1.00 0.00 C ATOM 819 O LYS A 56 -17.686 -0.181 7.821 1.00 0.00 O ATOM 820 CB LYS A 56 -14.772 0.886 7.041 1.00 0.00 C ATOM 821 CG LYS A 56 -15.189 1.920 6.010 1.00 0.00 C ATOM 822 CD LYS A 56 -14.459 3.237 6.213 1.00 0.00 C ATOM 823 CE LYS A 56 -13.926 3.787 4.900 1.00 0.00 C ATOM 824 NZ LYS A 56 -14.936 4.629 4.200 1.00 0.00 N ATOM 0 H LYS A 56 -14.214 -0.710 5.246 1.00 0.00 H new ATOM 0 HA LYS A 56 -15.285 -1.074 7.763 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -14.965 1.281 8.038 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -13.697 0.723 6.965 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -14.984 1.540 5.009 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -16.264 2.086 6.074 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -15.135 3.963 6.665 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -13.634 3.093 6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -13.030 4.378 5.091 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -13.631 2.961 4.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -14.534 4.985 3.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -15.781 4.059 3.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -15.199 5.432 4.806 1.00 0.00 H new ATOM 838 N GLU A 57 -17.502 -0.095 5.580 1.00 0.00 N ATOM 839 CA GLU A 57 -18.927 0.124 5.362 1.00 0.00 C ATOM 840 C GLU A 57 -19.559 -1.070 4.652 1.00 0.00 C ATOM 841 O GLU A 57 -20.756 -1.322 4.787 1.00 0.00 O ATOM 842 CB GLU A 57 -19.150 1.396 4.541 1.00 0.00 C ATOM 843 CG GLU A 57 -18.252 1.497 3.319 1.00 0.00 C ATOM 844 CD GLU A 57 -18.558 2.715 2.469 1.00 0.00 C ATOM 845 OE1 GLU A 57 -19.512 2.654 1.665 1.00 0.00 O ATOM 846 OE2 GLU A 57 -17.843 3.729 2.609 1.00 0.00 O ATOM 0 H GLU A 57 -16.945 -0.133 4.726 1.00 0.00 H new ATOM 0 HA GLU A 57 -19.404 0.240 6.335 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -20.191 1.434 4.220 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -18.981 2.264 5.178 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -17.211 1.535 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -18.366 0.598 2.713 1.00 0.00 H new ATOM 853 N GLU A 58 -18.746 -1.801 3.897 1.00 0.00 N ATOM 854 CA GLU A 58 -19.226 -2.967 3.165 1.00 0.00 C ATOM 855 C GLU A 58 -19.505 -4.128 4.115 1.00 0.00 C ATOM 856 O GLU A 58 -20.642 -4.584 4.241 1.00 0.00 O ATOM 857 CB GLU A 58 -18.203 -3.391 2.109 1.00 0.00 C ATOM 858 CG GLU A 58 -18.798 -3.572 0.723 1.00 0.00 C ATOM 859 CD GLU A 58 -17.741 -3.786 -0.343 1.00 0.00 C ATOM 860 OE1 GLU A 58 -16.670 -4.338 -0.012 1.00 0.00 O ATOM 861 OE2 GLU A 58 -17.983 -3.402 -1.506 1.00 0.00 O ATOM 0 H GLU A 58 -17.752 -1.607 3.776 1.00 0.00 H new ATOM 0 HA GLU A 58 -20.157 -2.695 2.668 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -17.412 -2.643 2.061 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -17.738 -4.326 2.421 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -19.477 -4.424 0.732 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -19.392 -2.694 0.469 1.00 0.00 H new ATOM 868 N LYS A 59 -18.458 -4.604 4.781 1.00 0.00 N ATOM 869 CA LYS A 59 -18.588 -5.711 5.720 1.00 0.00 C ATOM 870 C LYS A 59 -19.335 -5.275 6.976 1.00 0.00 C ATOM 871 O LYS A 59 -18.872 -4.405 7.715 1.00 0.00 O ATOM 872 CB LYS A 59 -17.206 -6.251 6.098 1.00 0.00 C ATOM 873 CG LYS A 59 -16.929 -7.643 5.557 1.00 0.00 C ATOM 874 CD LYS A 59 -16.205 -8.504 6.579 1.00 0.00 C ATOM 875 CE LYS A 59 -15.624 -9.757 5.941 1.00 0.00 C ATOM 876 NZ LYS A 59 -14.201 -9.967 6.327 1.00 0.00 N ATOM 0 H LYS A 59 -17.510 -4.240 4.687 1.00 0.00 H new ATOM 0 HA LYS A 59 -19.160 -6.501 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.443 -5.567 5.726 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -17.116 -6.268 7.184 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -17.869 -8.120 5.278 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -16.328 -7.569 4.651 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.405 -7.926 7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -16.896 -8.786 7.374 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -16.213 -10.624 6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.699 -9.680 4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -13.842 -10.830 5.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.634 -9.152 6.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -14.132 -10.066 7.360 1.00 0.00 H new ATOM 890 N SER A 60 -20.492 -5.885 7.213 1.00 0.00 N ATOM 891 CA SER A 60 -21.304 -5.558 8.379 1.00 0.00 C ATOM 892 C SER A 60 -21.823 -6.825 9.053 1.00 0.00 C ATOM 893 O SER A 60 -21.276 -7.230 10.078 1.00 0.00 O ATOM 894 CB SER A 60 -22.478 -4.665 7.975 1.00 0.00 C ATOM 895 OG SER A 60 -22.475 -3.454 8.710 1.00 0.00 O ATOM 0 H SER A 60 -20.888 -6.608 6.613 1.00 0.00 H new ATOM 0 HA SER A 60 -20.675 -5.021 9.089 1.00 0.00 H new ATOM 0 HB2 SER A 60 -22.423 -4.447 6.909 1.00 0.00 H new ATOM 0 HB3 SER A 60 -23.416 -5.194 8.144 1.00 0.00 H new ATOM 0 HG SER A 60 -23.234 -2.901 8.432 1.00 0.00 H new TER 901 SER A 60 HETATM 902 ZN ZN A 201 3.775 -1.042 -2.009 1.00 0.00 ZN