USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 452 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 10 THR OG1 : rot 99:sc= 0.16 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.67 X(o=-0.51,f=-0.48) USER MOD Set 2.1: A 38 TYR OH : rot 77:sc= 0.765 USER MOD Set 2.2: A 47 ASN : amide:sc= -1.59 K(o=-0.82,f=-2.1) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.318 K(o=-0.32,f=-0.99) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc=-0.000388 K(o=-0.00039,f=-1.4) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.46 K(o=-0.46,f=-2.4!) USER MOD Single : A 28 SER OG : rot -22:sc= 0.652 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= -0.454 USER MOD Single : A 46 ASN : amide:sc= -1.85 K(o=-1.9,f=-2.7!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.27 K(o=-0.27,f=-1.2) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 48.820 19.994 12.001 1.00 0.00 N ATOM 2 CA GLU A 1 47.740 19.195 11.352 1.00 0.00 C ATOM 3 C GLU A 1 48.210 18.682 9.988 1.00 0.00 C ATOM 4 O GLU A 1 48.876 19.383 9.250 1.00 0.00 O ATOM 5 CB GLU A 1 46.574 20.168 11.181 1.00 0.00 C ATOM 6 CG GLU A 1 45.280 19.382 10.944 1.00 0.00 C ATOM 7 CD GLU A 1 44.532 19.211 12.267 1.00 0.00 C ATOM 8 OE1 GLU A 1 45.189 19.026 13.278 1.00 0.00 O ATOM 9 OE2 GLU A 1 43.314 19.269 12.247 1.00 0.00 O ATOM 0 H1 GLU A 1 48.490 20.337 12.926 1.00 0.00 H new ATOM 0 H2 GLU A 1 49.662 19.397 12.133 1.00 0.00 H new ATOM 0 H3 GLU A 1 49.062 20.805 11.397 1.00 0.00 H new ATOM 0 HA GLU A 1 47.461 18.323 11.943 1.00 0.00 H new ATOM 0 HB2 GLU A 1 46.475 20.792 12.069 1.00 0.00 H new ATOM 0 HB3 GLU A 1 46.765 20.836 10.341 1.00 0.00 H new ATOM 0 HG2 GLU A 1 44.651 19.906 10.225 1.00 0.00 H new ATOM 0 HG3 GLU A 1 45.509 18.406 10.516 1.00 0.00 H new ATOM 18 N PHE A 2 47.863 17.466 9.649 1.00 0.00 N ATOM 19 CA PHE A 2 48.283 16.904 8.331 1.00 0.00 C ATOM 20 C PHE A 2 47.084 16.870 7.378 1.00 0.00 C ATOM 21 O PHE A 2 46.767 15.850 6.801 1.00 0.00 O ATOM 22 CB PHE A 2 48.786 15.486 8.640 1.00 0.00 C ATOM 23 CG PHE A 2 50.184 15.314 8.094 1.00 0.00 C ATOM 24 CD1 PHE A 2 51.269 15.890 8.763 1.00 0.00 C ATOM 25 CD2 PHE A 2 50.395 14.581 6.920 1.00 0.00 C ATOM 26 CE1 PHE A 2 52.564 15.736 8.259 1.00 0.00 C ATOM 27 CE2 PHE A 2 51.692 14.426 6.414 1.00 0.00 C ATOM 28 CZ PHE A 2 52.777 15.004 7.085 1.00 0.00 C ATOM 0 H PHE A 2 47.306 16.838 10.229 1.00 0.00 H new ATOM 0 HA PHE A 2 49.056 17.501 7.846 1.00 0.00 H new ATOM 0 HB2 PHE A 2 48.781 15.314 9.716 1.00 0.00 H new ATOM 0 HB3 PHE A 2 48.118 14.748 8.196 1.00 0.00 H new ATOM 0 HD1 PHE A 2 51.106 16.454 9.669 1.00 0.00 H new ATOM 0 HD2 PHE A 2 49.557 14.135 6.404 1.00 0.00 H new ATOM 0 HE1 PHE A 2 53.401 16.182 8.776 1.00 0.00 H new ATOM 0 HE2 PHE A 2 51.855 13.862 5.508 1.00 0.00 H new ATOM 0 HZ PHE A 2 53.778 14.885 6.697 1.00 0.00 H new ATOM 38 N HIS A 3 46.418 17.990 7.215 1.00 0.00 N ATOM 39 CA HIS A 3 45.227 18.060 6.305 1.00 0.00 C ATOM 40 C HIS A 3 44.178 17.001 6.701 1.00 0.00 C ATOM 41 O HIS A 3 43.286 17.279 7.481 1.00 0.00 O ATOM 42 CB HIS A 3 45.773 17.821 4.891 1.00 0.00 C ATOM 43 CG HIS A 3 46.542 19.032 4.440 1.00 0.00 C ATOM 44 ND1 HIS A 3 47.728 19.422 5.043 1.00 0.00 N ATOM 45 CD2 HIS A 3 46.306 19.951 3.448 1.00 0.00 C ATOM 46 CE1 HIS A 3 48.156 20.532 4.414 1.00 0.00 C ATOM 47 NE2 HIS A 3 47.326 20.897 3.433 1.00 0.00 N ATOM 0 H HIS A 3 46.651 18.868 7.679 1.00 0.00 H new ATOM 0 HA HIS A 3 44.719 19.022 6.368 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.419 16.943 4.882 1.00 0.00 H new ATOM 0 HB3 HIS A 3 44.953 17.620 4.202 1.00 0.00 H new ATOM 0 HD2 HIS A 3 45.457 19.941 2.780 1.00 0.00 H new ATOM 0 HE1 HIS A 3 49.061 21.063 4.671 1.00 0.00 H new ATOM 0 HE2 HIS A 3 47.420 21.697 2.807 1.00 0.00 H new ATOM 55 N GLY A 4 44.276 15.797 6.182 1.00 0.00 N ATOM 56 CA GLY A 4 43.287 14.737 6.544 1.00 0.00 C ATOM 57 C GLY A 4 44.020 13.582 7.248 1.00 0.00 C ATOM 58 O GLY A 4 45.091 13.790 7.783 1.00 0.00 O ATOM 0 H GLY A 4 44.999 15.506 5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 4 42.518 15.148 7.198 1.00 0.00 H new ATOM 0 HA3 GLY A 4 42.783 14.372 5.649 1.00 0.00 H new ATOM 62 N PRO A 5 43.441 12.389 7.235 1.00 0.00 N ATOM 63 CA PRO A 5 44.100 11.238 7.895 1.00 0.00 C ATOM 64 C PRO A 5 45.444 10.945 7.228 1.00 0.00 C ATOM 65 O PRO A 5 45.740 11.449 6.161 1.00 0.00 O ATOM 66 CB PRO A 5 43.114 10.089 7.658 1.00 0.00 C ATOM 67 CG PRO A 5 41.915 10.624 6.856 1.00 0.00 C ATOM 68 CD PRO A 5 42.130 12.120 6.581 1.00 0.00 C ATOM 0 HA PRO A 5 44.313 11.406 8.951 1.00 0.00 H new ATOM 0 HB2 PRO A 5 43.601 9.279 7.114 1.00 0.00 H new ATOM 0 HB3 PRO A 5 42.778 9.677 8.610 1.00 0.00 H new ATOM 0 HG2 PRO A 5 41.815 10.078 5.918 1.00 0.00 H new ATOM 0 HG3 PRO A 5 40.990 10.472 7.413 1.00 0.00 H new ATOM 0 HD2 PRO A 5 42.159 12.335 5.513 1.00 0.00 H new ATOM 0 HD3 PRO A 5 41.333 12.729 7.007 1.00 0.00 H new ATOM 76 N SER A 6 46.247 10.124 7.846 1.00 0.00 N ATOM 77 CA SER A 6 47.568 9.778 7.253 1.00 0.00 C ATOM 78 C SER A 6 47.759 8.263 7.271 1.00 0.00 C ATOM 79 O SER A 6 48.781 7.764 7.705 1.00 0.00 O ATOM 80 CB SER A 6 48.598 10.460 8.150 1.00 0.00 C ATOM 81 OG SER A 6 48.259 11.832 8.300 1.00 0.00 O ATOM 0 H SER A 6 46.044 9.676 8.740 1.00 0.00 H new ATOM 0 HA SER A 6 47.659 10.103 6.217 1.00 0.00 H new ATOM 0 HB2 SER A 6 48.627 9.973 9.125 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.594 10.365 7.716 1.00 0.00 H new ATOM 0 HG SER A 6 48.919 12.271 8.877 1.00 0.00 H new ATOM 87 N TRP A 7 46.780 7.525 6.806 1.00 0.00 N ATOM 88 CA TRP A 7 46.913 6.039 6.803 1.00 0.00 C ATOM 89 C TRP A 7 46.728 5.459 5.391 1.00 0.00 C ATOM 90 O TRP A 7 47.205 4.376 5.109 1.00 0.00 O ATOM 91 CB TRP A 7 45.863 5.527 7.795 1.00 0.00 C ATOM 92 CG TRP A 7 44.481 5.801 7.303 1.00 0.00 C ATOM 93 CD1 TRP A 7 43.719 6.857 7.667 1.00 0.00 C ATOM 94 CD2 TRP A 7 43.679 5.010 6.388 1.00 0.00 C ATOM 95 NE1 TRP A 7 42.500 6.770 7.022 1.00 0.00 N ATOM 96 CE2 TRP A 7 42.425 5.644 6.223 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.916 3.813 5.691 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.442 5.111 5.393 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.930 3.271 4.857 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.694 3.916 4.710 1.00 0.00 C ATOM 0 H TRP A 7 45.902 7.886 6.432 1.00 0.00 H new ATOM 0 HA TRP A 7 47.911 5.721 7.103 1.00 0.00 H new ATOM 0 HB2 TRP A 7 45.993 4.455 7.946 1.00 0.00 H new ATOM 0 HB3 TRP A 7 46.009 6.005 8.763 1.00 0.00 H new ATOM 0 HD1 TRP A 7 44.015 7.640 8.350 1.00 0.00 H new ATOM 0 HE1 TRP A 7 41.748 7.452 7.123 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.864 3.308 5.799 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 40.494 5.615 5.278 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 43.123 2.351 4.324 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.936 3.490 4.069 1.00 0.00 H new ATOM 111 N CYS A 8 46.101 6.180 4.481 1.00 0.00 N ATOM 112 CA CYS A 8 45.977 5.650 3.080 1.00 0.00 C ATOM 113 C CYS A 8 47.079 6.283 2.219 1.00 0.00 C ATOM 114 O CYS A 8 46.910 6.527 1.041 1.00 0.00 O ATOM 115 CB CYS A 8 44.564 6.010 2.568 1.00 0.00 C ATOM 116 SG CYS A 8 44.337 7.807 2.444 1.00 0.00 S ATOM 0 H CYS A 8 45.678 7.094 4.644 1.00 0.00 H new ATOM 0 HA CYS A 8 46.101 4.568 3.037 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.403 5.554 1.591 1.00 0.00 H new ATOM 0 HB3 CYS A 8 43.815 5.594 3.242 1.00 0.00 H new ATOM 121 N LEU A 9 48.209 6.553 2.828 1.00 0.00 N ATOM 122 CA LEU A 9 49.353 7.174 2.103 1.00 0.00 C ATOM 123 C LEU A 9 50.606 6.291 2.239 1.00 0.00 C ATOM 124 O LEU A 9 51.408 6.191 1.334 1.00 0.00 O ATOM 125 CB LEU A 9 49.565 8.515 2.811 1.00 0.00 C ATOM 126 CG LEU A 9 48.389 9.448 2.510 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.372 10.586 3.531 1.00 0.00 C ATOM 128 CD2 LEU A 9 48.539 10.030 1.101 1.00 0.00 C ATOM 0 H LEU A 9 48.386 6.364 3.815 1.00 0.00 H new ATOM 0 HA LEU A 9 49.163 7.292 1.036 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.653 8.360 3.886 1.00 0.00 H new ATOM 0 HB3 LEU A 9 50.498 8.970 2.477 1.00 0.00 H new ATOM 0 HG LEU A 9 47.457 8.887 2.570 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.536 11.252 3.319 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.262 10.173 4.534 1.00 0.00 H new ATOM 0 HD13 LEU A 9 49.306 11.145 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 9 47.700 10.693 0.890 1.00 0.00 H new ATOM 0 HD22 LEU A 9 49.471 10.592 1.037 1.00 0.00 H new ATOM 0 HD23 LEU A 9 48.553 9.220 0.372 1.00 0.00 H new ATOM 140 N THR A 10 50.775 5.658 3.379 1.00 0.00 N ATOM 141 CA THR A 10 51.972 4.774 3.619 1.00 0.00 C ATOM 142 C THR A 10 52.237 3.842 2.407 1.00 0.00 C ATOM 143 O THR A 10 51.296 3.403 1.774 1.00 0.00 O ATOM 144 CB THR A 10 51.603 3.936 4.856 1.00 0.00 C ATOM 145 OG1 THR A 10 50.768 4.693 5.724 1.00 0.00 O ATOM 146 CG2 THR A 10 52.871 3.536 5.612 1.00 0.00 C ATOM 0 H THR A 10 50.128 5.715 4.165 1.00 0.00 H new ATOM 0 HA THR A 10 52.879 5.361 3.762 1.00 0.00 H new ATOM 0 HB THR A 10 51.074 3.042 4.526 1.00 0.00 H new ATOM 0 HG1 THR A 10 49.832 4.441 5.580 1.00 0.00 H new ATOM 0 HG21 THR A 10 52.602 2.943 6.486 1.00 0.00 H new ATOM 0 HG22 THR A 10 53.514 2.947 4.958 1.00 0.00 H new ATOM 0 HG23 THR A 10 53.402 4.433 5.931 1.00 0.00 H new ATOM 154 N PRO A 11 53.501 3.562 2.106 1.00 0.00 N ATOM 155 CA PRO A 11 53.816 2.679 0.952 1.00 0.00 C ATOM 156 C PRO A 11 53.237 1.275 1.166 1.00 0.00 C ATOM 157 O PRO A 11 52.570 1.013 2.148 1.00 0.00 O ATOM 158 CB PRO A 11 55.350 2.647 0.953 1.00 0.00 C ATOM 159 CG PRO A 11 55.865 3.513 2.117 1.00 0.00 C ATOM 160 CD PRO A 11 54.664 4.089 2.875 1.00 0.00 C ATOM 0 HA PRO A 11 53.394 3.031 0.010 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.706 1.622 1.059 1.00 0.00 H new ATOM 0 HB3 PRO A 11 55.736 3.022 0.005 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.483 2.915 2.787 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.494 4.319 1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.645 3.758 3.913 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.679 5.179 2.888 1.00 0.00 H new ATOM 168 N ALA A 12 53.493 0.375 0.249 1.00 0.00 N ATOM 169 CA ALA A 12 52.966 -1.019 0.388 1.00 0.00 C ATOM 170 C ALA A 12 53.723 -1.761 1.494 1.00 0.00 C ATOM 171 O ALA A 12 54.771 -2.331 1.261 1.00 0.00 O ATOM 172 CB ALA A 12 53.217 -1.685 -0.968 1.00 0.00 C ATOM 0 H ALA A 12 54.045 0.545 -0.592 1.00 0.00 H new ATOM 0 HA ALA A 12 51.910 -1.032 0.656 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.855 -2.713 -0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.689 -1.135 -1.747 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.286 -1.682 -1.183 1.00 0.00 H new ATOM 178 N ASP A 13 53.198 -1.754 2.694 1.00 0.00 N ATOM 179 CA ASP A 13 53.885 -2.456 3.822 1.00 0.00 C ATOM 180 C ASP A 13 53.555 -3.952 3.808 1.00 0.00 C ATOM 181 O ASP A 13 52.414 -4.344 3.969 1.00 0.00 O ATOM 182 CB ASP A 13 53.331 -1.805 5.092 1.00 0.00 C ATOM 183 CG ASP A 13 53.870 -0.379 5.218 1.00 0.00 C ATOM 184 OD1 ASP A 13 53.408 0.475 4.479 1.00 0.00 O ATOM 185 OD2 ASP A 13 54.737 -0.166 6.049 1.00 0.00 O ATOM 0 H ASP A 13 52.323 -1.292 2.941 1.00 0.00 H new ATOM 0 HA ASP A 13 54.969 -2.370 3.753 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.242 -1.791 5.059 1.00 0.00 H new ATOM 0 HB3 ASP A 13 53.616 -2.390 5.966 1.00 0.00 H new ATOM 190 N ARG A 14 54.548 -4.788 3.631 1.00 0.00 N ATOM 191 CA ARG A 14 54.298 -6.263 3.625 1.00 0.00 C ATOM 192 C ARG A 14 53.781 -6.696 4.994 1.00 0.00 C ATOM 193 O ARG A 14 52.776 -7.373 5.103 1.00 0.00 O ATOM 194 CB ARG A 14 55.657 -6.909 3.350 1.00 0.00 C ATOM 195 CG ARG A 14 55.866 -7.047 1.841 1.00 0.00 C ATOM 196 CD ARG A 14 57.347 -6.845 1.503 1.00 0.00 C ATOM 197 NE ARG A 14 57.363 -5.830 0.413 1.00 0.00 N ATOM 198 CZ ARG A 14 58.335 -5.822 -0.457 1.00 0.00 C ATOM 199 NH1 ARG A 14 58.336 -6.680 -1.442 1.00 0.00 N ATOM 200 NH2 ARG A 14 59.304 -4.956 -0.342 1.00 0.00 N ATOM 0 H ARG A 14 55.520 -4.513 3.490 1.00 0.00 H new ATOM 0 HA ARG A 14 53.557 -6.552 2.880 1.00 0.00 H new ATOM 0 HB2 ARG A 14 56.453 -6.303 3.783 1.00 0.00 H new ATOM 0 HB3 ARG A 14 55.708 -7.889 3.825 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.538 -8.032 1.507 1.00 0.00 H new ATOM 0 HG3 ARG A 14 55.259 -6.313 1.312 1.00 0.00 H new ATOM 0 HD2 ARG A 14 57.906 -6.498 2.372 1.00 0.00 H new ATOM 0 HD3 ARG A 14 57.808 -7.778 1.179 1.00 0.00 H new ATOM 0 HE ARG A 14 56.614 -5.141 0.347 1.00 0.00 H new ATOM 0 HH11 ARG A 14 57.577 -7.356 -1.531 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.096 -6.674 -2.123 1.00 0.00 H new ATOM 0 HH21 ARG A 14 59.301 -4.286 0.427 1.00 0.00 H new ATOM 0 HH22 ARG A 14 60.065 -4.949 -1.021 1.00 0.00 H new ATOM 214 N GLY A 15 54.462 -6.300 6.038 1.00 0.00 N ATOM 215 CA GLY A 15 54.017 -6.674 7.406 1.00 0.00 C ATOM 216 C GLY A 15 55.193 -7.230 8.203 1.00 0.00 C ATOM 217 O GLY A 15 56.203 -6.574 8.379 1.00 0.00 O ATOM 0 H GLY A 15 55.309 -5.733 5.998 1.00 0.00 H new ATOM 0 HA2 GLY A 15 53.602 -5.803 7.913 1.00 0.00 H new ATOM 0 HA3 GLY A 15 53.222 -7.418 7.348 1.00 0.00 H new ATOM 221 N LEU A 16 55.058 -8.431 8.692 1.00 0.00 N ATOM 222 CA LEU A 16 56.150 -9.047 9.495 1.00 0.00 C ATOM 223 C LEU A 16 56.060 -10.571 9.419 1.00 0.00 C ATOM 224 O LEU A 16 56.423 -11.273 10.345 1.00 0.00 O ATOM 225 CB LEU A 16 55.892 -8.555 10.920 1.00 0.00 C ATOM 226 CG LEU A 16 56.833 -7.384 11.244 1.00 0.00 C ATOM 227 CD1 LEU A 16 56.033 -6.245 11.883 1.00 0.00 C ATOM 228 CD2 LEU A 16 57.918 -7.854 12.217 1.00 0.00 C ATOM 0 H LEU A 16 54.232 -9.016 8.569 1.00 0.00 H new ATOM 0 HA LEU A 16 57.145 -8.776 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.854 -8.239 11.023 1.00 0.00 H new ATOM 0 HB3 LEU A 16 56.050 -9.367 11.629 1.00 0.00 H new ATOM 0 HG LEU A 16 57.298 -7.029 10.325 1.00 0.00 H new ATOM 0 HD11 LEU A 16 56.701 -5.415 12.112 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.262 -5.909 11.190 1.00 0.00 H new ATOM 0 HD13 LEU A 16 55.566 -6.599 12.802 1.00 0.00 H new ATOM 0 HD21 LEU A 16 58.585 -7.023 12.447 1.00 0.00 H new ATOM 0 HD22 LEU A 16 57.453 -8.211 13.136 1.00 0.00 H new ATOM 0 HD23 LEU A 16 58.489 -8.663 11.762 1.00 0.00 H new ATOM 240 N CYS A 17 55.569 -11.084 8.322 1.00 0.00 N ATOM 241 CA CYS A 17 55.439 -12.564 8.165 1.00 0.00 C ATOM 242 C CYS A 17 55.946 -12.982 6.784 1.00 0.00 C ATOM 243 O CYS A 17 56.491 -12.181 6.048 1.00 0.00 O ATOM 244 CB CYS A 17 53.938 -12.830 8.257 1.00 0.00 C ATOM 245 SG CYS A 17 53.487 -13.351 9.938 1.00 0.00 S ATOM 0 H CYS A 17 55.250 -10.538 7.522 1.00 0.00 H new ATOM 0 HA CYS A 17 56.011 -13.114 8.912 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.386 -11.929 7.988 1.00 0.00 H new ATOM 0 HB3 CYS A 17 53.655 -13.603 7.542 1.00 0.00 H new ATOM 250 N ARG A 18 55.744 -14.222 6.419 1.00 0.00 N ATOM 251 CA ARG A 18 56.185 -14.690 5.074 1.00 0.00 C ATOM 252 C ARG A 18 54.965 -15.138 4.266 1.00 0.00 C ATOM 253 O ARG A 18 54.995 -16.146 3.585 1.00 0.00 O ATOM 254 CB ARG A 18 57.127 -15.867 5.336 1.00 0.00 C ATOM 255 CG ARG A 18 58.049 -16.059 4.130 1.00 0.00 C ATOM 256 CD ARG A 18 59.422 -16.533 4.614 1.00 0.00 C ATOM 257 NE ARG A 18 60.160 -16.918 3.378 1.00 0.00 N ATOM 258 CZ ARG A 18 61.073 -17.850 3.430 1.00 0.00 C ATOM 259 NH1 ARG A 18 60.721 -19.105 3.480 1.00 0.00 N ATOM 260 NH2 ARG A 18 62.339 -17.527 3.428 1.00 0.00 N ATOM 0 H ARG A 18 55.292 -14.931 6.997 1.00 0.00 H new ATOM 0 HA ARG A 18 56.685 -13.907 4.503 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.718 -15.682 6.233 1.00 0.00 H new ATOM 0 HB3 ARG A 18 56.551 -16.775 5.515 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.621 -16.789 3.443 1.00 0.00 H new ATOM 0 HG3 ARG A 18 58.148 -15.123 3.580 1.00 0.00 H new ATOM 0 HD2 ARG A 18 59.944 -15.743 5.154 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.329 -17.378 5.296 1.00 0.00 H new ATOM 0 HE ARG A 18 59.952 -16.455 2.493 1.00 0.00 H new ATOM 0 HH11 ARG A 18 59.733 -19.358 3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 18 61.434 -19.833 3.521 1.00 0.00 H new ATOM 0 HH21 ARG A 18 62.615 -16.546 3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 18 63.051 -18.256 3.469 1.00 0.00 H new ATOM 274 N ALA A 19 53.889 -14.396 4.350 1.00 0.00 N ATOM 275 CA ALA A 19 52.655 -14.768 3.599 1.00 0.00 C ATOM 276 C ALA A 19 52.555 -13.942 2.315 1.00 0.00 C ATOM 277 O ALA A 19 52.598 -12.726 2.343 1.00 0.00 O ATOM 278 CB ALA A 19 51.505 -14.437 4.550 1.00 0.00 C ATOM 0 H ALA A 19 53.814 -13.546 4.909 1.00 0.00 H new ATOM 0 HA ALA A 19 52.645 -15.816 3.300 1.00 0.00 H new ATOM 0 HB1 ALA A 19 50.556 -14.682 4.073 1.00 0.00 H new ATOM 0 HB2 ALA A 19 51.611 -15.019 5.466 1.00 0.00 H new ATOM 0 HB3 ALA A 19 51.526 -13.374 4.791 1.00 0.00 H new ATOM 284 N ASN A 20 52.440 -14.600 1.191 1.00 0.00 N ATOM 285 CA ASN A 20 52.352 -13.876 -0.112 1.00 0.00 C ATOM 286 C ASN A 20 50.893 -13.576 -0.474 1.00 0.00 C ATOM 287 O ASN A 20 50.307 -14.228 -1.318 1.00 0.00 O ATOM 288 CB ASN A 20 52.971 -14.836 -1.128 1.00 0.00 C ATOM 289 CG ASN A 20 54.482 -14.903 -0.908 1.00 0.00 C ATOM 290 OD1 ASN A 20 55.181 -13.931 -1.119 1.00 0.00 O ATOM 291 ND2 ASN A 20 55.020 -16.013 -0.485 1.00 0.00 N ATOM 0 H ASN A 20 52.403 -15.617 1.120 1.00 0.00 H new ATOM 0 HA ASN A 20 52.864 -12.914 -0.082 1.00 0.00 H new ATOM 0 HB2 ASN A 20 52.533 -15.828 -1.021 1.00 0.00 H new ATOM 0 HB3 ASN A 20 52.755 -14.499 -2.142 1.00 0.00 H new ATOM 0 HD21 ASN A 20 56.027 -16.065 -0.331 1.00 0.00 H new ATOM 0 HD22 ASN A 20 54.434 -16.829 -0.308 1.00 0.00 H new ATOM 298 N GLU A 21 50.309 -12.585 0.150 1.00 0.00 N ATOM 299 CA GLU A 21 48.892 -12.226 -0.162 1.00 0.00 C ATOM 300 C GLU A 21 48.855 -11.189 -1.291 1.00 0.00 C ATOM 301 O GLU A 21 49.824 -11.005 -2.002 1.00 0.00 O ATOM 302 CB GLU A 21 48.330 -11.635 1.137 1.00 0.00 C ATOM 303 CG GLU A 21 47.329 -12.613 1.758 1.00 0.00 C ATOM 304 CD GLU A 21 46.064 -12.666 0.898 1.00 0.00 C ATOM 305 OE1 GLU A 21 46.037 -13.456 -0.031 1.00 0.00 O ATOM 306 OE2 GLU A 21 45.145 -11.917 1.184 1.00 0.00 O ATOM 0 H GLU A 21 50.753 -12.008 0.864 1.00 0.00 H new ATOM 0 HA GLU A 21 48.309 -13.085 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.141 -11.435 1.838 1.00 0.00 H new ATOM 0 HB3 GLU A 21 47.843 -10.681 0.933 1.00 0.00 H new ATOM 0 HG2 GLU A 21 47.773 -13.606 1.832 1.00 0.00 H new ATOM 0 HG3 GLU A 21 47.079 -12.299 2.772 1.00 0.00 H new ATOM 313 N ASN A 22 47.744 -10.513 -1.458 1.00 0.00 N ATOM 314 CA ASN A 22 47.643 -9.486 -2.542 1.00 0.00 C ATOM 315 C ASN A 22 46.714 -8.345 -2.108 1.00 0.00 C ATOM 316 O ASN A 22 45.570 -8.277 -2.517 1.00 0.00 O ATOM 317 CB ASN A 22 47.058 -10.234 -3.744 1.00 0.00 C ATOM 318 CG ASN A 22 48.157 -10.490 -4.777 1.00 0.00 C ATOM 319 OD1 ASN A 22 48.847 -11.488 -4.713 1.00 0.00 O ATOM 320 ND2 ASN A 22 48.351 -9.623 -5.734 1.00 0.00 N ATOM 0 H ASN A 22 46.904 -10.628 -0.891 1.00 0.00 H new ATOM 0 HA ASN A 22 48.607 -9.035 -2.775 1.00 0.00 H new ATOM 0 HB2 ASN A 22 46.623 -11.179 -3.420 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.254 -9.650 -4.192 1.00 0.00 H new ATOM 0 HD21 ASN A 22 49.082 -9.784 -6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 22 47.772 -8.785 -5.788 1.00 0.00 H new ATOM 327 N ARG A 23 47.202 -7.452 -1.283 1.00 0.00 N ATOM 328 CA ARG A 23 46.354 -6.314 -0.813 1.00 0.00 C ATOM 329 C ARG A 23 46.503 -5.109 -1.752 1.00 0.00 C ATOM 330 O ARG A 23 47.494 -4.968 -2.442 1.00 0.00 O ATOM 331 CB ARG A 23 46.882 -5.977 0.582 1.00 0.00 C ATOM 332 CG ARG A 23 46.560 -7.124 1.541 1.00 0.00 C ATOM 333 CD ARG A 23 45.050 -7.182 1.784 1.00 0.00 C ATOM 334 NE ARG A 23 44.876 -8.130 2.921 1.00 0.00 N ATOM 335 CZ ARG A 23 43.757 -8.145 3.592 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.210 -7.024 3.974 1.00 0.00 N ATOM 337 NH2 ARG A 23 43.184 -9.282 3.879 1.00 0.00 N ATOM 0 H ARG A 23 48.153 -7.462 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 23 45.295 -6.570 -0.798 1.00 0.00 H new ATOM 0 HB2 ARG A 23 47.959 -5.812 0.545 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.430 -5.052 0.940 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.908 -8.069 1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.085 -6.980 2.485 1.00 0.00 H new ATOM 0 HD2 ARG A 23 44.652 -6.197 2.027 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.521 -7.529 0.897 1.00 0.00 H new ATOM 0 HE ARG A 23 45.631 -8.767 3.174 1.00 0.00 H new ATOM 0 HH11 ARG A 23 43.657 -6.135 3.748 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.335 -7.036 4.498 1.00 0.00 H new ATOM 0 HH21 ARG A 23 43.611 -10.158 3.579 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.309 -9.294 4.404 1.00 0.00 H new ATOM 351 N PHE A 24 45.518 -4.246 -1.779 1.00 0.00 N ATOM 352 CA PHE A 24 45.583 -3.048 -2.673 1.00 0.00 C ATOM 353 C PHE A 24 46.211 -1.851 -1.947 1.00 0.00 C ATOM 354 O PHE A 24 45.621 -1.276 -1.053 1.00 0.00 O ATOM 355 CB PHE A 24 44.127 -2.750 -3.039 1.00 0.00 C ATOM 356 CG PHE A 24 43.785 -3.439 -4.340 1.00 0.00 C ATOM 357 CD1 PHE A 24 44.103 -2.831 -5.560 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.154 -4.688 -4.324 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.790 -3.473 -6.765 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.841 -5.330 -5.529 1.00 0.00 C ATOM 361 CZ PHE A 24 43.158 -4.721 -6.749 1.00 0.00 C ATOM 0 H PHE A 24 44.669 -4.320 -1.219 1.00 0.00 H new ATOM 0 HA PHE A 24 46.201 -3.232 -3.551 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.463 -3.095 -2.246 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.977 -1.675 -3.134 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.590 -1.867 -5.572 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.908 -5.157 -3.383 1.00 0.00 H new ATOM 0 HE1 PHE A 24 44.037 -3.005 -7.706 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.355 -6.295 -5.517 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.915 -5.215 -7.678 1.00 0.00 H new ATOM 371 N TYR A 25 47.399 -1.465 -2.343 1.00 0.00 N ATOM 372 CA TYR A 25 48.072 -0.296 -1.699 1.00 0.00 C ATOM 373 C TYR A 25 47.698 0.986 -2.466 1.00 0.00 C ATOM 374 O TYR A 25 47.857 1.065 -3.669 1.00 0.00 O ATOM 375 CB TYR A 25 49.583 -0.629 -1.786 1.00 0.00 C ATOM 376 CG TYR A 25 50.441 0.620 -1.899 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.264 1.679 -1.001 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.402 0.712 -2.912 1.00 0.00 C ATOM 379 CE1 TYR A 25 51.053 2.830 -1.117 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.188 1.863 -3.029 1.00 0.00 C ATOM 381 CZ TYR A 25 52.014 2.923 -2.132 1.00 0.00 C ATOM 382 OH TYR A 25 52.787 4.060 -2.249 1.00 0.00 O ATOM 0 H TYR A 25 47.933 -1.912 -3.088 1.00 0.00 H new ATOM 0 HA TYR A 25 47.776 -0.123 -0.664 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.880 -1.193 -0.902 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.763 -1.270 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.521 1.609 -0.221 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.537 -0.106 -3.604 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.920 3.647 -0.423 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.929 1.934 -3.811 1.00 0.00 H new ATOM 0 HH TYR A 25 53.404 3.960 -3.004 1.00 0.00 H new ATOM 392 N TYR A 26 47.219 1.986 -1.773 1.00 0.00 N ATOM 393 CA TYR A 26 46.848 3.262 -2.453 1.00 0.00 C ATOM 394 C TYR A 26 48.117 4.045 -2.807 1.00 0.00 C ATOM 395 O TYR A 26 48.761 4.619 -1.949 1.00 0.00 O ATOM 396 CB TYR A 26 46.006 4.029 -1.435 1.00 0.00 C ATOM 397 CG TYR A 26 45.501 5.306 -2.059 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.333 5.294 -2.833 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.198 6.503 -1.863 1.00 0.00 C ATOM 400 CE1 TYR A 26 43.864 6.480 -3.409 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.729 7.688 -2.440 1.00 0.00 C ATOM 402 CZ TYR A 26 44.562 7.678 -3.212 1.00 0.00 C ATOM 403 OH TYR A 26 44.100 8.847 -3.779 1.00 0.00 O ATOM 0 H TYR A 26 47.069 1.974 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 26 46.301 3.097 -3.381 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.167 3.416 -1.106 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.602 4.255 -0.551 1.00 0.00 H new ATOM 0 HD1 TYR A 26 43.795 4.370 -2.985 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.098 6.512 -1.266 1.00 0.00 H new ATOM 0 HE1 TYR A 26 42.964 6.471 -4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.268 8.612 -2.289 1.00 0.00 H new ATOM 0 HH TYR A 26 44.700 9.585 -3.543 1.00 0.00 H new ATOM 413 N ASN A 27 48.484 4.063 -4.064 1.00 0.00 N ATOM 414 CA ASN A 27 49.719 4.797 -4.482 1.00 0.00 C ATOM 415 C ASN A 27 49.502 6.310 -4.393 1.00 0.00 C ATOM 416 O ASN A 27 48.590 6.853 -4.989 1.00 0.00 O ATOM 417 CB ASN A 27 49.965 4.377 -5.932 1.00 0.00 C ATOM 418 CG ASN A 27 51.467 4.206 -6.168 1.00 0.00 C ATOM 419 OD1 ASN A 27 52.226 5.145 -6.034 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.932 3.037 -6.518 1.00 0.00 N ATOM 0 H ASN A 27 47.981 3.600 -4.821 1.00 0.00 H new ATOM 0 HA ASN A 27 50.568 4.562 -3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.444 3.443 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.563 5.128 -6.612 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.932 2.913 -6.679 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.296 2.248 -6.631 1.00 0.00 H new ATOM 427 N SER A 28 50.341 6.993 -3.656 1.00 0.00 N ATOM 428 CA SER A 28 50.199 8.474 -3.526 1.00 0.00 C ATOM 429 C SER A 28 50.789 9.192 -4.750 1.00 0.00 C ATOM 430 O SER A 28 50.739 10.404 -4.841 1.00 0.00 O ATOM 431 CB SER A 28 50.983 8.839 -2.265 1.00 0.00 C ATOM 432 OG SER A 28 51.019 10.252 -2.126 1.00 0.00 O ATOM 0 H SER A 28 51.120 6.587 -3.138 1.00 0.00 H new ATOM 0 HA SER A 28 49.153 8.775 -3.464 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.516 8.388 -1.389 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.996 8.442 -2.326 1.00 0.00 H new ATOM 0 HG SER A 28 50.855 10.671 -2.997 1.00 0.00 H new ATOM 438 N VAL A 29 51.346 8.462 -5.692 1.00 0.00 N ATOM 439 CA VAL A 29 51.933 9.115 -6.901 1.00 0.00 C ATOM 440 C VAL A 29 50.944 9.039 -8.066 1.00 0.00 C ATOM 441 O VAL A 29 50.598 10.040 -8.664 1.00 0.00 O ATOM 442 CB VAL A 29 53.198 8.308 -7.219 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.893 8.900 -8.449 1.00 0.00 C ATOM 444 CG2 VAL A 29 54.157 8.359 -6.025 1.00 0.00 C ATOM 0 H VAL A 29 51.417 7.445 -5.672 1.00 0.00 H new ATOM 0 HA VAL A 29 52.156 10.169 -6.735 1.00 0.00 H new ATOM 0 HB VAL A 29 52.919 7.274 -7.420 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.791 8.324 -8.672 1.00 0.00 H new ATOM 0 HG12 VAL A 29 53.216 8.862 -9.303 1.00 0.00 H new ATOM 0 HG13 VAL A 29 54.167 9.936 -8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 29 55.055 7.785 -6.254 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.431 9.394 -5.822 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.669 7.934 -5.148 1.00 0.00 H new ATOM 454 N ILE A 30 50.494 7.854 -8.393 1.00 0.00 N ATOM 455 CA ILE A 30 49.531 7.701 -9.523 1.00 0.00 C ATOM 456 C ILE A 30 48.086 7.792 -9.015 1.00 0.00 C ATOM 457 O ILE A 30 47.194 8.201 -9.734 1.00 0.00 O ATOM 458 CB ILE A 30 49.823 6.321 -10.132 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.613 5.220 -9.088 1.00 0.00 C ATOM 460 CG2 ILE A 30 51.272 6.278 -10.621 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.506 3.867 -9.793 1.00 0.00 C ATOM 0 H ILE A 30 50.753 6.985 -7.925 1.00 0.00 H new ATOM 0 HA ILE A 30 49.645 8.491 -10.265 1.00 0.00 H new ATOM 0 HB ILE A 30 49.141 6.155 -10.966 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.443 5.210 -8.382 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.708 5.416 -8.513 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.481 5.300 -11.053 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.424 7.049 -11.377 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.945 6.455 -9.782 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.357 3.082 -9.052 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.661 3.882 -10.482 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.424 3.672 -10.348 1.00 0.00 H new ATOM 473 N GLY A 31 47.852 7.425 -7.779 1.00 0.00 N ATOM 474 CA GLY A 31 46.469 7.499 -7.217 1.00 0.00 C ATOM 475 C GLY A 31 45.790 6.131 -7.319 1.00 0.00 C ATOM 476 O GLY A 31 45.030 5.742 -6.452 1.00 0.00 O ATOM 0 H GLY A 31 48.561 7.077 -7.134 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.507 7.819 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.887 8.245 -7.758 1.00 0.00 H new ATOM 480 N LYS A 32 46.054 5.403 -8.373 1.00 0.00 N ATOM 481 CA LYS A 32 45.419 4.058 -8.540 1.00 0.00 C ATOM 482 C LYS A 32 45.921 3.092 -7.463 1.00 0.00 C ATOM 483 O LYS A 32 47.092 3.069 -7.136 1.00 0.00 O ATOM 484 CB LYS A 32 45.847 3.583 -9.930 1.00 0.00 C ATOM 485 CG LYS A 32 44.957 4.238 -10.987 1.00 0.00 C ATOM 486 CD LYS A 32 43.596 3.532 -11.025 1.00 0.00 C ATOM 487 CE LYS A 32 43.127 3.400 -12.476 1.00 0.00 C ATOM 488 NZ LYS A 32 42.567 4.735 -12.821 1.00 0.00 N ATOM 0 H LYS A 32 46.682 5.681 -9.127 1.00 0.00 H new ATOM 0 HA LYS A 32 44.334 4.103 -8.442 1.00 0.00 H new ATOM 0 HB2 LYS A 32 46.891 3.839 -10.108 1.00 0.00 H new ATOM 0 HB3 LYS A 32 45.770 2.498 -9.995 1.00 0.00 H new ATOM 0 HG2 LYS A 32 44.823 5.295 -10.759 1.00 0.00 H new ATOM 0 HG3 LYS A 32 45.435 4.181 -11.965 1.00 0.00 H new ATOM 0 HD2 LYS A 32 43.673 2.546 -10.566 1.00 0.00 H new ATOM 0 HD3 LYS A 32 42.866 4.097 -10.446 1.00 0.00 H new ATOM 0 HE2 LYS A 32 43.953 3.136 -13.136 1.00 0.00 H new ATOM 0 HE3 LYS A 32 42.375 2.618 -12.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 42.224 4.724 -13.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 41.778 4.956 -12.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 43.307 5.458 -12.721 1.00 0.00 H new ATOM 502 N CYS A 33 45.039 2.294 -6.916 1.00 0.00 N ATOM 503 CA CYS A 33 45.454 1.319 -5.861 1.00 0.00 C ATOM 504 C CYS A 33 46.244 0.173 -6.499 1.00 0.00 C ATOM 505 O CYS A 33 45.696 -0.650 -7.208 1.00 0.00 O ATOM 506 CB CYS A 33 44.148 0.801 -5.247 1.00 0.00 C ATOM 507 SG CYS A 33 43.233 2.176 -4.500 1.00 0.00 S ATOM 0 H CYS A 33 44.048 2.275 -7.155 1.00 0.00 H new ATOM 0 HA CYS A 33 46.096 1.773 -5.106 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.540 0.322 -6.014 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.365 0.044 -4.493 1.00 0.00 H new ATOM 512 N ARG A 34 47.530 0.121 -6.256 1.00 0.00 N ATOM 513 CA ARG A 34 48.370 -0.961 -6.850 1.00 0.00 C ATOM 514 C ARG A 34 48.387 -2.202 -5.928 1.00 0.00 C ATOM 515 O ARG A 34 48.859 -2.106 -4.812 1.00 0.00 O ATOM 516 CB ARG A 34 49.773 -0.360 -6.939 1.00 0.00 C ATOM 517 CG ARG A 34 49.922 0.413 -8.254 1.00 0.00 C ATOM 518 CD ARG A 34 51.328 0.195 -8.831 1.00 0.00 C ATOM 519 NE ARG A 34 51.107 -0.295 -10.222 1.00 0.00 N ATOM 520 CZ ARG A 34 51.163 -1.574 -10.485 1.00 0.00 C ATOM 521 NH1 ARG A 34 50.660 -2.440 -9.647 1.00 0.00 N ATOM 522 NH2 ARG A 34 51.724 -1.987 -11.590 1.00 0.00 N ATOM 0 H ARG A 34 48.035 0.785 -5.669 1.00 0.00 H new ATOM 0 HA ARG A 34 47.991 -1.287 -7.819 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.948 0.305 -6.093 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.522 -1.150 -6.884 1.00 0.00 H new ATOM 0 HG2 ARG A 34 49.170 0.080 -8.969 1.00 0.00 H new ATOM 0 HG3 ARG A 34 49.750 1.476 -8.083 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.904 1.121 -8.826 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.887 -0.531 -8.242 1.00 0.00 H new ATOM 0 HE ARG A 34 50.912 0.370 -10.970 1.00 0.00 H new ATOM 0 HH11 ARG A 34 50.222 -2.119 -8.784 1.00 0.00 H new ATOM 0 HH12 ARG A 34 50.706 -3.437 -9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 34 52.117 -1.312 -12.246 1.00 0.00 H new ATOM 0 HH22 ARG A 34 51.769 -2.985 -11.797 1.00 0.00 H new ATOM 536 N PRO A 35 47.884 -3.340 -6.397 1.00 0.00 N ATOM 537 CA PRO A 35 47.886 -4.557 -5.547 1.00 0.00 C ATOM 538 C PRO A 35 49.321 -4.964 -5.198 1.00 0.00 C ATOM 539 O PRO A 35 50.149 -5.156 -6.070 1.00 0.00 O ATOM 540 CB PRO A 35 47.213 -5.605 -6.441 1.00 0.00 C ATOM 541 CG PRO A 35 46.841 -4.947 -7.782 1.00 0.00 C ATOM 542 CD PRO A 35 47.297 -3.484 -7.759 1.00 0.00 C ATOM 0 HA PRO A 35 47.376 -4.424 -4.593 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.885 -6.447 -6.607 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.321 -6.000 -5.954 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.316 -5.477 -8.607 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.765 -5.004 -7.944 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.030 -3.277 -8.539 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.464 -2.799 -7.914 1.00 0.00 H new ATOM 550 N PHE A 36 49.616 -5.104 -3.930 1.00 0.00 N ATOM 551 CA PHE A 36 50.995 -5.508 -3.519 1.00 0.00 C ATOM 552 C PHE A 36 50.940 -6.809 -2.710 1.00 0.00 C ATOM 553 O PHE A 36 49.875 -7.299 -2.388 1.00 0.00 O ATOM 554 CB PHE A 36 51.540 -4.335 -2.682 1.00 0.00 C ATOM 555 CG PHE A 36 50.816 -4.216 -1.354 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.567 -3.590 -1.285 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.408 -4.724 -0.191 1.00 0.00 C ATOM 558 CE1 PHE A 36 48.910 -3.470 -0.054 1.00 0.00 C ATOM 559 CE2 PHE A 36 50.750 -4.608 1.038 1.00 0.00 C ATOM 560 CZ PHE A 36 49.502 -3.980 1.108 1.00 0.00 C ATOM 0 H PHE A 36 48.961 -4.956 -3.162 1.00 0.00 H new ATOM 0 HA PHE A 36 51.644 -5.704 -4.373 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.606 -4.477 -2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.431 -3.406 -3.242 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.109 -3.199 -2.182 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.373 -5.206 -0.243 1.00 0.00 H new ATOM 0 HE1 PHE A 36 47.947 -2.984 -0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.206 -5.004 1.934 1.00 0.00 H new ATOM 0 HZ PHE A 36 48.995 -3.889 2.057 1.00 0.00 H new ATOM 570 N LYS A 37 52.077 -7.373 -2.392 1.00 0.00 N ATOM 571 CA LYS A 37 52.089 -8.650 -1.617 1.00 0.00 C ATOM 572 C LYS A 37 52.096 -8.377 -0.109 1.00 0.00 C ATOM 573 O LYS A 37 53.112 -8.041 0.469 1.00 0.00 O ATOM 574 CB LYS A 37 53.377 -9.359 -2.044 1.00 0.00 C ATOM 575 CG LYS A 37 53.123 -10.865 -2.133 1.00 0.00 C ATOM 576 CD LYS A 37 54.011 -11.471 -3.221 1.00 0.00 C ATOM 577 CE LYS A 37 53.341 -11.296 -4.586 1.00 0.00 C ATOM 578 NZ LYS A 37 54.209 -12.047 -5.536 1.00 0.00 N ATOM 0 H LYS A 37 52.997 -7.005 -2.635 1.00 0.00 H new ATOM 0 HA LYS A 37 51.203 -9.253 -1.814 1.00 0.00 H new ATOM 0 HB2 LYS A 37 53.712 -8.978 -3.009 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.172 -9.155 -1.327 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.333 -11.337 -1.173 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.074 -11.054 -2.358 1.00 0.00 H new ATOM 0 HD2 LYS A 37 54.988 -10.987 -3.219 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.179 -12.529 -3.020 1.00 0.00 H new ATOM 0 HE2 LYS A 37 52.325 -11.691 -4.581 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.272 -10.243 -4.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 53.816 -11.975 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 55.168 -11.644 -5.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 54.250 -13.047 -5.253 1.00 0.00 H new ATOM 592 N TYR A 38 50.962 -8.532 0.531 1.00 0.00 N ATOM 593 CA TYR A 38 50.881 -8.299 2.005 1.00 0.00 C ATOM 594 C TYR A 38 51.158 -9.609 2.756 1.00 0.00 C ATOM 595 O TYR A 38 51.213 -10.668 2.161 1.00 0.00 O ATOM 596 CB TYR A 38 49.444 -7.832 2.246 1.00 0.00 C ATOM 597 CG TYR A 38 49.255 -7.510 3.707 1.00 0.00 C ATOM 598 CD1 TYR A 38 49.981 -6.466 4.293 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.359 -8.260 4.477 1.00 0.00 C ATOM 600 CE1 TYR A 38 49.809 -6.171 5.651 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.188 -7.966 5.833 1.00 0.00 C ATOM 602 CZ TYR A 38 48.911 -6.921 6.422 1.00 0.00 C ATOM 603 OH TYR A 38 48.743 -6.630 7.762 1.00 0.00 O ATOM 0 H TYR A 38 50.085 -8.812 0.092 1.00 0.00 H new ATOM 0 HA TYR A 38 51.611 -7.570 2.357 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.230 -6.952 1.639 1.00 0.00 H new ATOM 0 HB3 TYR A 38 48.743 -8.608 1.941 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.673 -5.889 3.698 1.00 0.00 H new ATOM 0 HD2 TYR A 38 47.800 -9.065 4.024 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.368 -5.366 6.104 1.00 0.00 H new ATOM 0 HE2 TYR A 38 47.497 -8.546 6.427 1.00 0.00 H new ATOM 0 HH TYR A 38 48.180 -5.833 7.856 1.00 0.00 H new ATOM 613 N SER A 39 51.332 -9.546 4.054 1.00 0.00 N ATOM 614 CA SER A 39 51.607 -10.790 4.837 1.00 0.00 C ATOM 615 C SER A 39 50.444 -11.102 5.778 1.00 0.00 C ATOM 616 O SER A 39 49.491 -10.357 5.872 1.00 0.00 O ATOM 617 CB SER A 39 52.867 -10.482 5.650 1.00 0.00 C ATOM 618 OG SER A 39 53.782 -9.748 4.848 1.00 0.00 O ATOM 0 H SER A 39 51.295 -8.688 4.604 1.00 0.00 H new ATOM 0 HA SER A 39 51.734 -11.655 4.186 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.607 -9.909 6.540 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.328 -11.409 5.991 1.00 0.00 H new ATOM 0 HG SER A 39 54.588 -9.550 5.369 1.00 0.00 H new ATOM 624 N GLY A 40 50.539 -12.189 6.497 1.00 0.00 N ATOM 625 CA GLY A 40 49.467 -12.552 7.468 1.00 0.00 C ATOM 626 C GLY A 40 49.672 -11.701 8.719 1.00 0.00 C ATOM 627 O GLY A 40 48.738 -11.247 9.347 1.00 0.00 O ATOM 0 H GLY A 40 51.319 -12.845 6.452 1.00 0.00 H new ATOM 0 HA2 GLY A 40 48.482 -12.370 7.038 1.00 0.00 H new ATOM 0 HA3 GLY A 40 49.516 -13.613 7.714 1.00 0.00 H new ATOM 631 N CYS A 41 50.912 -11.468 9.064 1.00 0.00 N ATOM 632 CA CYS A 41 51.241 -10.628 10.258 1.00 0.00 C ATOM 633 C CYS A 41 50.511 -9.287 10.182 1.00 0.00 C ATOM 634 O CYS A 41 49.933 -8.945 9.166 1.00 0.00 O ATOM 635 CB CYS A 41 52.749 -10.396 10.172 1.00 0.00 C ATOM 636 SG CYS A 41 53.627 -11.691 11.089 1.00 0.00 S ATOM 0 H CYS A 41 51.723 -11.829 8.562 1.00 0.00 H new ATOM 0 HA CYS A 41 50.943 -11.110 11.189 1.00 0.00 H new ATOM 0 HB2 CYS A 41 53.067 -10.398 9.129 1.00 0.00 H new ATOM 0 HB3 CYS A 41 52.999 -9.417 10.580 1.00 0.00 H new ATOM 641 N GLY A 42 50.535 -8.528 11.244 1.00 0.00 N ATOM 642 CA GLY A 42 49.843 -7.207 11.236 1.00 0.00 C ATOM 643 C GLY A 42 50.880 -6.079 11.200 1.00 0.00 C ATOM 644 O GLY A 42 51.438 -5.711 12.215 1.00 0.00 O ATOM 0 H GLY A 42 51.004 -8.766 12.118 1.00 0.00 H new ATOM 0 HA2 GLY A 42 49.185 -7.136 10.370 1.00 0.00 H new ATOM 0 HA3 GLY A 42 49.216 -7.109 12.122 1.00 0.00 H new ATOM 648 N GLY A 43 51.147 -5.536 10.035 1.00 0.00 N ATOM 649 CA GLY A 43 52.154 -4.435 9.922 1.00 0.00 C ATOM 650 C GLY A 43 51.469 -3.067 10.034 1.00 0.00 C ATOM 651 O GLY A 43 51.158 -2.608 11.117 1.00 0.00 O ATOM 0 H GLY A 43 50.709 -5.810 9.156 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.904 -4.538 10.706 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.677 -4.509 8.969 1.00 0.00 H new ATOM 655 N ASN A 44 51.245 -2.407 8.920 1.00 0.00 N ATOM 656 CA ASN A 44 50.592 -1.061 8.956 1.00 0.00 C ATOM 657 C ASN A 44 49.072 -1.207 9.069 1.00 0.00 C ATOM 658 O ASN A 44 48.562 -2.285 9.307 1.00 0.00 O ATOM 659 CB ASN A 44 50.972 -0.391 7.632 1.00 0.00 C ATOM 660 CG ASN A 44 51.127 1.117 7.852 1.00 0.00 C ATOM 661 OD1 ASN A 44 52.038 1.552 8.530 1.00 0.00 O ATOM 662 ND2 ASN A 44 50.272 1.938 7.307 1.00 0.00 N ATOM 0 H ASN A 44 51.487 -2.744 7.988 1.00 0.00 H new ATOM 0 HA ASN A 44 50.917 -0.473 9.815 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.903 -0.812 7.253 1.00 0.00 H new ATOM 0 HB3 ASN A 44 50.206 -0.583 6.881 1.00 0.00 H new ATOM 0 HD21 ASN A 44 50.368 2.943 7.450 1.00 0.00 H new ATOM 0 HD22 ASN A 44 49.507 1.575 6.738 1.00 0.00 H new ATOM 669 N GLU A 45 48.348 -0.127 8.903 1.00 0.00 N ATOM 670 CA GLU A 45 46.859 -0.199 9.006 1.00 0.00 C ATOM 671 C GLU A 45 46.201 0.247 7.696 1.00 0.00 C ATOM 672 O GLU A 45 45.146 0.852 7.702 1.00 0.00 O ATOM 673 CB GLU A 45 46.494 0.759 10.143 1.00 0.00 C ATOM 674 CG GLU A 45 46.832 0.112 11.491 1.00 0.00 C ATOM 675 CD GLU A 45 47.425 1.163 12.432 1.00 0.00 C ATOM 676 OE1 GLU A 45 48.626 1.369 12.376 1.00 0.00 O ATOM 677 OE2 GLU A 45 46.668 1.744 13.193 1.00 0.00 O ATOM 0 H GLU A 45 48.724 0.799 8.701 1.00 0.00 H new ATOM 0 HA GLU A 45 46.513 -1.215 9.197 1.00 0.00 H new ATOM 0 HB2 GLU A 45 47.039 1.696 10.031 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.432 1.001 10.101 1.00 0.00 H new ATOM 0 HG2 GLU A 45 45.935 -0.321 11.933 1.00 0.00 H new ATOM 0 HG3 GLU A 45 47.541 -0.703 11.347 1.00 0.00 H new ATOM 684 N ASN A 46 46.812 -0.051 6.576 1.00 0.00 N ATOM 685 CA ASN A 46 46.220 0.354 5.263 1.00 0.00 C ATOM 686 C ASN A 46 46.092 -0.864 4.341 1.00 0.00 C ATOM 687 O ASN A 46 46.370 -0.792 3.159 1.00 0.00 O ATOM 688 CB ASN A 46 47.203 1.369 4.679 1.00 0.00 C ATOM 689 CG ASN A 46 46.657 1.913 3.354 1.00 0.00 C ATOM 690 OD1 ASN A 46 45.463 1.921 3.134 1.00 0.00 O ATOM 691 ND2 ASN A 46 47.489 2.367 2.455 1.00 0.00 N ATOM 0 H ASN A 46 47.695 -0.557 6.514 1.00 0.00 H new ATOM 0 HA ASN A 46 45.220 0.774 5.374 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.358 2.187 5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 46 48.173 0.899 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 46 47.135 2.728 1.569 1.00 0.00 H new ATOM 0 HD22 ASN A 46 48.492 2.361 2.639 1.00 0.00 H new ATOM 698 N ASN A 47 45.677 -1.982 4.877 1.00 0.00 N ATOM 699 CA ASN A 47 45.533 -3.212 4.040 1.00 0.00 C ATOM 700 C ASN A 47 44.131 -3.267 3.425 1.00 0.00 C ATOM 701 O ASN A 47 43.186 -3.705 4.055 1.00 0.00 O ATOM 702 CB ASN A 47 45.742 -4.389 5.002 1.00 0.00 C ATOM 703 CG ASN A 47 47.095 -4.256 5.709 1.00 0.00 C ATOM 704 OD1 ASN A 47 47.200 -4.494 6.896 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.143 -3.884 5.025 1.00 0.00 N ATOM 0 H ASN A 47 45.431 -2.097 5.860 1.00 0.00 H new ATOM 0 HA ASN A 47 46.248 -3.233 3.217 1.00 0.00 H new ATOM 0 HB2 ASN A 47 44.939 -4.414 5.738 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.701 -5.330 4.453 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.048 -3.794 5.487 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.057 -3.684 4.029 1.00 0.00 H new ATOM 712 N PHE A 48 43.990 -2.826 2.198 1.00 0.00 N ATOM 713 CA PHE A 48 42.650 -2.852 1.537 1.00 0.00 C ATOM 714 C PHE A 48 42.355 -4.257 1.007 1.00 0.00 C ATOM 715 O PHE A 48 43.160 -4.849 0.314 1.00 0.00 O ATOM 716 CB PHE A 48 42.748 -1.853 0.384 1.00 0.00 C ATOM 717 CG PHE A 48 42.543 -0.452 0.911 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.358 -0.124 1.582 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.536 0.519 0.731 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.166 1.173 2.071 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.345 1.817 1.221 1.00 0.00 C ATOM 722 CZ PHE A 48 42.160 2.144 1.891 1.00 0.00 C ATOM 0 H PHE A 48 44.746 -2.449 1.627 1.00 0.00 H new ATOM 0 HA PHE A 48 41.846 -2.593 2.226 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.722 -1.932 -0.098 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.998 -2.081 -0.373 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.592 -0.872 1.722 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.450 0.267 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.252 1.426 2.587 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.111 2.565 1.082 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.012 3.145 2.269 1.00 0.00 H new ATOM 732 N THR A 49 41.206 -4.791 1.330 1.00 0.00 N ATOM 733 CA THR A 49 40.849 -6.162 0.851 1.00 0.00 C ATOM 734 C THR A 49 40.429 -6.126 -0.624 1.00 0.00 C ATOM 735 O THR A 49 40.524 -7.116 -1.325 1.00 0.00 O ATOM 736 CB THR A 49 39.681 -6.607 1.739 1.00 0.00 C ATOM 737 OG1 THR A 49 39.269 -7.911 1.353 1.00 0.00 O ATOM 738 CG2 THR A 49 38.502 -5.637 1.596 1.00 0.00 C ATOM 0 H THR A 49 40.497 -4.337 1.906 1.00 0.00 H new ATOM 0 HA THR A 49 41.692 -6.850 0.917 1.00 0.00 H new ATOM 0 HB THR A 49 40.008 -6.613 2.779 1.00 0.00 H new ATOM 0 HG1 THR A 49 38.523 -8.200 1.920 1.00 0.00 H new ATOM 0 HG21 THR A 49 37.681 -5.966 2.232 1.00 0.00 H new ATOM 0 HG22 THR A 49 38.815 -4.637 1.896 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.171 -5.617 0.558 1.00 0.00 H new ATOM 746 N SER A 50 39.966 -4.994 -1.097 1.00 0.00 N ATOM 747 CA SER A 50 39.539 -4.893 -2.525 1.00 0.00 C ATOM 748 C SER A 50 39.693 -3.454 -3.022 1.00 0.00 C ATOM 749 O SER A 50 40.053 -2.566 -2.273 1.00 0.00 O ATOM 750 CB SER A 50 38.069 -5.310 -2.530 1.00 0.00 C ATOM 751 OG SER A 50 37.289 -4.289 -1.924 1.00 0.00 O ATOM 0 H SER A 50 39.866 -4.136 -0.554 1.00 0.00 H new ATOM 0 HA SER A 50 40.141 -5.521 -3.182 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.732 -5.483 -3.552 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.943 -6.248 -1.990 1.00 0.00 H new ATOM 0 HG SER A 50 36.345 -4.553 -1.927 1.00 0.00 H new ATOM 757 N LYS A 51 39.424 -3.219 -4.282 1.00 0.00 N ATOM 758 CA LYS A 51 39.555 -1.836 -4.834 1.00 0.00 C ATOM 759 C LYS A 51 38.351 -0.985 -4.420 1.00 0.00 C ATOM 760 O LYS A 51 38.454 0.219 -4.276 1.00 0.00 O ATOM 761 CB LYS A 51 39.593 -2.008 -6.352 1.00 0.00 C ATOM 762 CG LYS A 51 40.070 -0.707 -7.000 1.00 0.00 C ATOM 763 CD LYS A 51 40.230 -0.916 -8.507 1.00 0.00 C ATOM 764 CE LYS A 51 40.131 0.433 -9.223 1.00 0.00 C ATOM 765 NZ LYS A 51 39.706 0.102 -10.611 1.00 0.00 N ATOM 0 H LYS A 51 39.119 -3.925 -4.952 1.00 0.00 H new ATOM 0 HA LYS A 51 40.446 -1.330 -4.463 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.261 -2.827 -6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.603 -2.270 -6.724 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.354 0.092 -6.807 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.019 -0.397 -6.562 1.00 0.00 H new ATOM 0 HD2 LYS A 51 41.192 -1.383 -8.720 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.459 -1.592 -8.875 1.00 0.00 H new ATOM 0 HE2 LYS A 51 39.409 1.087 -8.734 1.00 0.00 H new ATOM 0 HE3 LYS A 51 41.088 0.954 -9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 39.616 0.978 -11.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 40.416 -0.516 -11.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 38.789 -0.387 -10.586 1.00 0.00 H new ATOM 779 N GLN A 52 37.213 -1.604 -4.227 1.00 0.00 N ATOM 780 CA GLN A 52 35.997 -0.833 -3.819 1.00 0.00 C ATOM 781 C GLN A 52 36.248 -0.123 -2.489 1.00 0.00 C ATOM 782 O GLN A 52 35.812 0.994 -2.279 1.00 0.00 O ATOM 783 CB GLN A 52 34.885 -1.874 -3.663 1.00 0.00 C ATOM 784 CG GLN A 52 33.546 -1.249 -4.058 1.00 0.00 C ATOM 785 CD GLN A 52 33.552 -0.931 -5.555 1.00 0.00 C ATOM 786 OE1 GLN A 52 34.092 -1.680 -6.345 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.971 0.157 -5.980 1.00 0.00 N ATOM 0 H GLN A 52 37.073 -2.609 -4.334 1.00 0.00 H new ATOM 0 HA GLN A 52 35.735 -0.069 -4.551 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.093 -2.741 -4.289 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.844 -2.227 -2.633 1.00 0.00 H new ATOM 0 HG2 GLN A 52 32.730 -1.933 -3.824 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.374 -0.339 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 52 32.518 0.786 -5.317 1.00 0.00 H new ATOM 0 HE22 GLN A 52 32.970 0.379 -6.976 1.00 0.00 H new ATOM 796 N GLU A 53 36.957 -0.763 -1.595 1.00 0.00 N ATOM 797 CA GLU A 53 37.247 -0.130 -0.276 1.00 0.00 C ATOM 798 C GLU A 53 38.393 0.873 -0.423 1.00 0.00 C ATOM 799 O GLU A 53 38.388 1.917 0.192 1.00 0.00 O ATOM 800 CB GLU A 53 37.650 -1.285 0.643 1.00 0.00 C ATOM 801 CG GLU A 53 36.392 -1.976 1.173 1.00 0.00 C ATOM 802 CD GLU A 53 36.021 -1.388 2.536 1.00 0.00 C ATOM 803 OE1 GLU A 53 36.213 -0.198 2.719 1.00 0.00 O ATOM 804 OE2 GLU A 53 35.549 -2.140 3.374 1.00 0.00 O ATOM 0 H GLU A 53 37.347 -1.697 -1.723 1.00 0.00 H new ATOM 0 HA GLU A 53 36.392 0.417 0.121 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.268 -1.999 0.098 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.250 -0.912 1.473 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.568 -1.843 0.472 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.564 -3.049 1.263 1.00 0.00 H new ATOM 811 N CYS A 54 39.367 0.560 -1.243 1.00 0.00 N ATOM 812 CA CYS A 54 40.523 1.494 -1.444 1.00 0.00 C ATOM 813 C CYS A 54 40.029 2.852 -1.952 1.00 0.00 C ATOM 814 O CYS A 54 40.390 3.889 -1.429 1.00 0.00 O ATOM 815 CB CYS A 54 41.407 0.818 -2.496 1.00 0.00 C ATOM 816 SG CYS A 54 43.017 1.646 -2.562 1.00 0.00 S ATOM 0 H CYS A 54 39.413 -0.304 -1.784 1.00 0.00 H new ATOM 0 HA CYS A 54 41.064 1.680 -0.516 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.539 -0.236 -2.252 1.00 0.00 H new ATOM 0 HB3 CYS A 54 40.925 0.861 -3.473 1.00 0.00 H new ATOM 821 N LEU A 55 39.204 2.846 -2.966 1.00 0.00 N ATOM 822 CA LEU A 55 38.676 4.130 -3.519 1.00 0.00 C ATOM 823 C LEU A 55 37.743 4.796 -2.507 1.00 0.00 C ATOM 824 O LEU A 55 37.898 5.948 -2.168 1.00 0.00 O ATOM 825 CB LEU A 55 37.890 3.728 -4.776 1.00 0.00 C ATOM 826 CG LEU A 55 38.734 3.990 -6.025 1.00 0.00 C ATOM 827 CD1 LEU A 55 38.331 3.008 -7.130 1.00 0.00 C ATOM 828 CD2 LEU A 55 38.493 5.423 -6.505 1.00 0.00 C ATOM 0 H LEU A 55 38.872 2.005 -3.437 1.00 0.00 H new ATOM 0 HA LEU A 55 39.473 4.840 -3.740 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.619 2.673 -4.724 1.00 0.00 H new ATOM 0 HB3 LEU A 55 36.960 4.294 -4.830 1.00 0.00 H new ATOM 0 HG LEU A 55 39.789 3.855 -5.788 1.00 0.00 H new ATOM 0 HD11 LEU A 55 38.932 3.195 -8.020 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.497 1.987 -6.787 1.00 0.00 H new ATOM 0 HD13 LEU A 55 37.276 3.143 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 55 39.093 5.614 -7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 55 37.438 5.554 -6.743 1.00 0.00 H new ATOM 0 HD23 LEU A 55 38.777 6.123 -5.719 1.00 0.00 H new ATOM 840 N ARG A 56 36.778 4.069 -2.022 1.00 0.00 N ATOM 841 CA ARG A 56 35.811 4.649 -1.033 1.00 0.00 C ATOM 842 C ARG A 56 36.513 5.068 0.269 1.00 0.00 C ATOM 843 O ARG A 56 35.929 5.740 1.100 1.00 0.00 O ATOM 844 CB ARG A 56 34.808 3.522 -0.767 1.00 0.00 C ATOM 845 CG ARG A 56 33.649 4.049 0.081 1.00 0.00 C ATOM 846 CD ARG A 56 33.920 3.746 1.556 1.00 0.00 C ATOM 847 NE ARG A 56 33.231 4.831 2.306 1.00 0.00 N ATOM 848 CZ ARG A 56 32.136 4.574 2.965 1.00 0.00 C ATOM 849 NH1 ARG A 56 31.006 4.437 2.327 1.00 0.00 N ATOM 850 NH2 ARG A 56 32.169 4.454 4.264 1.00 0.00 N ATOM 0 H ARG A 56 36.611 3.093 -2.265 1.00 0.00 H new ATOM 0 HA ARG A 56 35.336 5.552 -1.417 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.431 3.129 -1.711 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.302 2.697 -0.253 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.535 5.123 -0.066 1.00 0.00 H new ATOM 0 HG3 ARG A 56 32.714 3.584 -0.232 1.00 0.00 H new ATOM 0 HD2 ARG A 56 33.533 2.766 1.835 1.00 0.00 H new ATOM 0 HD3 ARG A 56 34.989 3.738 1.767 1.00 0.00 H new ATOM 0 HE ARG A 56 33.616 5.776 2.304 1.00 0.00 H new ATOM 0 HH11 ARG A 56 30.979 4.531 1.312 1.00 0.00 H new ATOM 0 HH12 ARG A 56 30.150 4.236 2.844 1.00 0.00 H new ATOM 0 HH21 ARG A 56 33.052 4.561 4.764 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.312 4.253 4.780 1.00 0.00 H new ATOM 864 N ALA A 57 37.744 4.670 0.462 1.00 0.00 N ATOM 865 CA ALA A 57 38.468 5.031 1.714 1.00 0.00 C ATOM 866 C ALA A 57 39.289 6.318 1.550 1.00 0.00 C ATOM 867 O ALA A 57 39.015 7.323 2.178 1.00 0.00 O ATOM 868 CB ALA A 57 39.405 3.856 1.949 1.00 0.00 C ATOM 0 H ALA A 57 38.280 4.107 -0.198 1.00 0.00 H new ATOM 0 HA ALA A 57 37.777 5.214 2.537 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.986 4.029 2.855 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.822 2.942 2.061 1.00 0.00 H new ATOM 0 HB3 ALA A 57 40.080 3.753 1.099 1.00 0.00 H new ATOM 874 N CYS A 58 40.308 6.279 0.727 1.00 0.00 N ATOM 875 CA CYS A 58 41.179 7.486 0.534 1.00 0.00 C ATOM 876 C CYS A 58 40.602 8.414 -0.543 1.00 0.00 C ATOM 877 O CYS A 58 40.776 9.619 -0.481 1.00 0.00 O ATOM 878 CB CYS A 58 42.543 6.933 0.111 1.00 0.00 C ATOM 879 SG CYS A 58 43.844 8.138 0.502 1.00 0.00 S ATOM 0 H CYS A 58 40.577 5.462 0.178 1.00 0.00 H new ATOM 0 HA CYS A 58 41.249 8.085 1.442 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.740 5.992 0.625 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.543 6.718 -0.958 1.00 0.00 H new ATOM 884 N LYS A 59 39.915 7.873 -1.526 1.00 0.00 N ATOM 885 CA LYS A 59 39.327 8.744 -2.588 1.00 0.00 C ATOM 886 C LYS A 59 37.919 9.185 -2.184 1.00 0.00 C ATOM 887 O LYS A 59 37.500 10.286 -2.476 1.00 0.00 O ATOM 888 CB LYS A 59 39.266 7.873 -3.846 1.00 0.00 C ATOM 889 CG LYS A 59 39.153 8.765 -5.090 1.00 0.00 C ATOM 890 CD LYS A 59 40.276 8.430 -6.079 1.00 0.00 C ATOM 891 CE LYS A 59 41.282 9.584 -6.137 1.00 0.00 C ATOM 892 NZ LYS A 59 40.836 10.430 -7.280 1.00 0.00 N ATOM 0 H LYS A 59 39.739 6.874 -1.635 1.00 0.00 H new ATOM 0 HA LYS A 59 39.919 9.645 -2.748 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.159 7.251 -3.913 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.411 7.199 -3.792 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.183 8.619 -5.565 1.00 0.00 H new ATOM 0 HG3 LYS A 59 39.212 9.815 -4.802 1.00 0.00 H new ATOM 0 HD2 LYS A 59 40.779 7.513 -5.774 1.00 0.00 H new ATOM 0 HD3 LYS A 59 39.858 8.250 -7.070 1.00 0.00 H new ATOM 0 HE2 LYS A 59 41.287 10.150 -5.206 1.00 0.00 H new ATOM 0 HE3 LYS A 59 42.296 9.216 -6.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 41.478 11.242 -7.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 40.848 9.867 -8.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 39.870 10.772 -7.102 1.00 0.00 H new ATOM 906 N LYS A 60 37.180 8.321 -1.527 1.00 0.00 N ATOM 907 CA LYS A 60 35.781 8.663 -1.110 1.00 0.00 C ATOM 908 C LYS A 60 34.982 9.141 -2.328 1.00 0.00 C ATOM 909 O LYS A 60 34.757 10.322 -2.515 1.00 0.00 O ATOM 910 CB LYS A 60 35.917 9.780 -0.066 1.00 0.00 C ATOM 911 CG LYS A 60 36.669 9.250 1.161 1.00 0.00 C ATOM 912 CD LYS A 60 36.841 10.375 2.186 1.00 0.00 C ATOM 913 CE LYS A 60 35.505 10.652 2.886 1.00 0.00 C ATOM 914 NZ LYS A 60 35.445 9.677 4.011 1.00 0.00 N ATOM 0 H LYS A 60 37.489 7.386 -1.260 1.00 0.00 H new ATOM 0 HA LYS A 60 35.252 7.805 -0.695 1.00 0.00 H new ATOM 0 HB2 LYS A 60 36.451 10.628 -0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 60 34.931 10.140 0.227 1.00 0.00 H new ATOM 0 HG2 LYS A 60 36.120 8.420 1.606 1.00 0.00 H new ATOM 0 HG3 LYS A 60 37.644 8.864 0.863 1.00 0.00 H new ATOM 0 HD2 LYS A 60 37.596 10.097 2.921 1.00 0.00 H new ATOM 0 HD3 LYS A 60 37.196 11.279 1.691 1.00 0.00 H new ATOM 0 HE2 LYS A 60 35.457 11.678 3.251 1.00 0.00 H new ATOM 0 HE3 LYS A 60 34.667 10.517 2.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 34.557 9.807 4.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 35.485 8.709 3.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 36.251 9.834 4.650 1.00 0.00 H new ATOM 928 N GLY A 61 34.573 8.222 -3.164 1.00 0.00 N ATOM 929 CA GLY A 61 33.803 8.594 -4.386 1.00 0.00 C ATOM 930 C GLY A 61 33.382 7.324 -5.132 1.00 0.00 C ATOM 931 O GLY A 61 34.246 6.509 -5.408 1.00 0.00 O ATOM 932 OXT GLY A 61 32.201 7.191 -5.412 1.00 0.00 O ATOM 0 H GLY A 61 34.741 7.222 -3.051 1.00 0.00 H new ATOM 0 HA2 GLY A 61 32.923 9.175 -4.111 1.00 0.00 H new ATOM 0 HA3 GLY A 61 34.412 9.224 -5.034 1.00 0.00 H new TER 936 GLY A 61