USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 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 180:sc= -1.12 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.0271 X(o=-1.1,f=-1.2) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.32) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.409 K(o=-0.41,f=-4.3!) USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=-1.5) 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= -0.0577 K(o=-0.058,f=-2.8!) USER MOD Single : A 28 SER OG : rot -39:sc= 0.324 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 146:sc= -0.0337 (180deg=-0.313) USER MOD Single : A 38 TYR OH : rot -18:sc= 1.3 USER MOD Single : A 39 SER OG : rot -110:sc= -1.16 USER MOD Single : A 46 ASN : amide:sc= -0.731 K(o=-0.73,f=-7.7!) USER MOD Single : A 47 ASN : amide:sc= -3.48 K(o=-3.5,f=-7.3!) 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 X(o=0,f=-0.011) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.0858) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 44.592 19.168 2.869 1.00 0.00 N ATOM 2 CA GLU A 1 44.907 18.145 1.831 1.00 0.00 C ATOM 3 C GLU A 1 46.253 17.482 2.135 1.00 0.00 C ATOM 4 O GLU A 1 46.332 16.286 2.343 1.00 0.00 O ATOM 5 CB GLU A 1 44.976 18.924 0.516 1.00 0.00 C ATOM 6 CG GLU A 1 43.561 19.141 -0.023 1.00 0.00 C ATOM 7 CD GLU A 1 43.634 19.614 -1.476 1.00 0.00 C ATOM 8 OE1 GLU A 1 43.885 18.786 -2.336 1.00 0.00 O ATOM 9 OE2 GLU A 1 43.439 20.796 -1.704 1.00 0.00 O ATOM 0 H1 GLU A 1 43.677 19.612 2.653 1.00 0.00 H new ATOM 0 H2 GLU A 1 44.544 18.712 3.802 1.00 0.00 H new ATOM 0 H3 GLU A 1 45.336 19.895 2.877 1.00 0.00 H new ATOM 0 HA GLU A 1 44.163 17.349 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 1 45.467 19.884 0.675 1.00 0.00 H new ATOM 0 HB3 GLU A 1 45.574 18.377 -0.212 1.00 0.00 H new ATOM 0 HG2 GLU A 1 42.990 18.214 0.040 1.00 0.00 H new ATOM 0 HG3 GLU A 1 43.038 19.879 0.585 1.00 0.00 H new ATOM 18 N PHE A 2 47.310 18.254 2.169 1.00 0.00 N ATOM 19 CA PHE A 2 48.659 17.678 2.465 1.00 0.00 C ATOM 20 C PHE A 2 48.787 17.369 3.962 1.00 0.00 C ATOM 21 O PHE A 2 49.557 16.516 4.362 1.00 0.00 O ATOM 22 CB PHE A 2 49.655 18.762 2.052 1.00 0.00 C ATOM 23 CG PHE A 2 51.049 18.183 1.997 1.00 0.00 C ATOM 24 CD1 PHE A 2 51.393 17.278 0.984 1.00 0.00 C ATOM 25 CD2 PHE A 2 52.000 18.552 2.955 1.00 0.00 C ATOM 26 CE1 PHE A 2 52.686 16.744 0.930 1.00 0.00 C ATOM 27 CE2 PHE A 2 53.293 18.018 2.902 1.00 0.00 C ATOM 28 CZ PHE A 2 53.636 17.114 1.889 1.00 0.00 C ATOM 0 H PHE A 2 47.298 19.261 2.004 1.00 0.00 H new ATOM 0 HA PHE A 2 48.834 16.743 1.933 1.00 0.00 H new ATOM 0 HB2 PHE A 2 49.381 19.168 1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 2 49.622 19.588 2.762 1.00 0.00 H new ATOM 0 HD1 PHE A 2 50.660 16.992 0.244 1.00 0.00 H new ATOM 0 HD2 PHE A 2 51.736 19.250 3.736 1.00 0.00 H new ATOM 0 HE1 PHE A 2 52.950 16.047 0.149 1.00 0.00 H new ATOM 0 HE2 PHE A 2 54.026 18.303 3.642 1.00 0.00 H new ATOM 0 HZ PHE A 2 54.634 16.702 1.848 1.00 0.00 H new ATOM 38 N HIS A 3 48.035 18.056 4.789 1.00 0.00 N ATOM 39 CA HIS A 3 48.107 17.806 6.260 1.00 0.00 C ATOM 40 C HIS A 3 46.976 16.867 6.693 1.00 0.00 C ATOM 41 O HIS A 3 46.512 16.920 7.815 1.00 0.00 O ATOM 42 CB HIS A 3 47.935 19.182 6.904 1.00 0.00 C ATOM 43 CG HIS A 3 48.491 19.156 8.301 1.00 0.00 C ATOM 44 ND1 HIS A 3 49.762 18.681 8.583 1.00 0.00 N ATOM 45 CD2 HIS A 3 47.960 19.542 9.507 1.00 0.00 C ATOM 46 CE1 HIS A 3 49.953 18.793 9.909 1.00 0.00 C ATOM 47 NE2 HIS A 3 48.885 19.312 10.521 1.00 0.00 N ATOM 0 H HIS A 3 47.374 18.780 4.506 1.00 0.00 H new ATOM 0 HA HIS A 3 49.044 17.332 6.553 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.448 19.939 6.311 1.00 0.00 H new ATOM 0 HB3 HIS A 3 46.880 19.455 6.926 1.00 0.00 H new ATOM 0 HD2 HIS A 3 46.974 19.960 9.647 1.00 0.00 H new ATOM 0 HE1 HIS A 3 50.859 18.499 10.417 1.00 0.00 H new ATOM 0 HE2 HIS A 3 48.772 19.499 11.517 1.00 0.00 H new ATOM 55 N GLY A 4 46.534 16.012 5.806 1.00 0.00 N ATOM 56 CA GLY A 4 45.434 15.064 6.153 1.00 0.00 C ATOM 57 C GLY A 4 46.013 13.868 6.931 1.00 0.00 C ATOM 58 O GLY A 4 47.030 14.011 7.579 1.00 0.00 O ATOM 0 H GLY A 4 46.889 15.930 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 4 44.679 15.571 6.754 1.00 0.00 H new ATOM 0 HA3 GLY A 4 44.939 14.716 5.246 1.00 0.00 H new ATOM 62 N PRO A 5 45.362 12.713 6.857 1.00 0.00 N ATOM 63 CA PRO A 5 45.871 11.525 7.584 1.00 0.00 C ATOM 64 C PRO A 5 47.274 11.160 7.089 1.00 0.00 C ATOM 65 O PRO A 5 47.761 11.716 6.121 1.00 0.00 O ATOM 66 CB PRO A 5 44.849 10.439 7.228 1.00 0.00 C ATOM 67 CG PRO A 5 43.784 11.047 6.298 1.00 0.00 C ATOM 68 CD PRO A 5 44.115 12.526 6.063 1.00 0.00 C ATOM 0 HA PRO A 5 45.968 11.675 8.659 1.00 0.00 H new ATOM 0 HB2 PRO A 5 45.344 9.601 6.738 1.00 0.00 H new ATOM 0 HB3 PRO A 5 44.382 10.049 8.132 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.761 10.511 5.349 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.794 10.949 6.744 1.00 0.00 H new ATOM 0 HD2 PRO A 5 44.271 12.743 5.006 1.00 0.00 H new ATOM 0 HD3 PRO A 5 43.314 13.180 6.407 1.00 0.00 H new ATOM 76 N SER A 6 47.934 10.245 7.754 1.00 0.00 N ATOM 77 CA SER A 6 49.313 9.860 7.331 1.00 0.00 C ATOM 78 C SER A 6 49.390 8.370 6.980 1.00 0.00 C ATOM 79 O SER A 6 50.401 7.730 7.200 1.00 0.00 O ATOM 80 CB SER A 6 50.191 10.170 8.543 1.00 0.00 C ATOM 81 OG SER A 6 49.707 9.452 9.669 1.00 0.00 O ATOM 0 H SER A 6 47.577 9.749 8.571 1.00 0.00 H new ATOM 0 HA SER A 6 49.628 10.399 6.438 1.00 0.00 H new ATOM 0 HB2 SER A 6 51.225 9.893 8.338 1.00 0.00 H new ATOM 0 HB3 SER A 6 50.182 11.240 8.749 1.00 0.00 H new ATOM 0 HG SER A 6 50.269 9.647 10.448 1.00 0.00 H new ATOM 87 N TRP A 7 48.334 7.813 6.435 1.00 0.00 N ATOM 88 CA TRP A 7 48.365 6.361 6.070 1.00 0.00 C ATOM 89 C TRP A 7 47.750 6.103 4.678 1.00 0.00 C ATOM 90 O TRP A 7 47.748 4.980 4.204 1.00 0.00 O ATOM 91 CB TRP A 7 47.567 5.648 7.171 1.00 0.00 C ATOM 92 CG TRP A 7 46.136 6.093 7.153 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.646 7.181 7.791 1.00 0.00 C ATOM 94 CD2 TRP A 7 45.008 5.471 6.474 1.00 0.00 C ATOM 95 NE1 TRP A 7 44.286 7.266 7.546 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.846 6.234 6.739 1.00 0.00 C ATOM 97 CE3 TRP A 7 44.882 4.330 5.662 1.00 0.00 C ATOM 98 CZ2 TRP A 7 42.602 5.877 6.216 1.00 0.00 C ATOM 99 CZ3 TRP A 7 43.632 3.966 5.135 1.00 0.00 C ATOM 100 CH2 TRP A 7 42.494 4.739 5.411 1.00 0.00 C ATOM 0 H TRP A 7 47.460 8.296 6.229 1.00 0.00 H new ATOM 0 HA TRP A 7 49.389 5.992 6.006 1.00 0.00 H new ATOM 0 HB2 TRP A 7 47.620 4.569 7.026 1.00 0.00 H new ATOM 0 HB3 TRP A 7 48.008 5.861 8.145 1.00 0.00 H new ATOM 0 HD1 TRP A 7 46.221 7.870 8.392 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.683 8.000 7.916 1.00 0.00 H new ATOM 0 HE3 TRP A 7 45.752 3.729 5.442 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.729 6.476 6.432 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 43.546 3.087 4.514 1.00 0.00 H new ATOM 0 HH2 TRP A 7 41.536 4.455 5.002 1.00 0.00 H new ATOM 111 N CYS A 8 47.244 7.119 4.013 1.00 0.00 N ATOM 112 CA CYS A 8 46.651 6.907 2.655 1.00 0.00 C ATOM 113 C CYS A 8 47.763 6.864 1.598 1.00 0.00 C ATOM 114 O CYS A 8 47.595 6.298 0.535 1.00 0.00 O ATOM 115 CB CYS A 8 45.729 8.109 2.415 1.00 0.00 C ATOM 116 SG CYS A 8 44.001 7.659 2.754 1.00 0.00 S ATOM 0 H CYS A 8 47.217 8.081 4.352 1.00 0.00 H new ATOM 0 HA CYS A 8 46.106 5.965 2.590 1.00 0.00 H new ATOM 0 HB2 CYS A 8 46.028 8.938 3.056 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.827 8.451 1.385 1.00 0.00 H new ATOM 121 N LEU A 9 48.899 7.459 1.882 1.00 0.00 N ATOM 122 CA LEU A 9 50.023 7.452 0.895 1.00 0.00 C ATOM 123 C LEU A 9 51.313 6.924 1.540 1.00 0.00 C ATOM 124 O LEU A 9 52.400 7.174 1.056 1.00 0.00 O ATOM 125 CB LEU A 9 50.191 8.917 0.471 1.00 0.00 C ATOM 126 CG LEU A 9 50.553 9.788 1.691 1.00 0.00 C ATOM 127 CD1 LEU A 9 51.749 10.682 1.351 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.359 10.670 2.073 1.00 0.00 C ATOM 0 H LEU A 9 49.094 7.949 2.755 1.00 0.00 H new ATOM 0 HA LEU A 9 49.814 6.801 0.046 1.00 0.00 H new ATOM 0 HB2 LEU A 9 50.971 8.997 -0.286 1.00 0.00 H new ATOM 0 HB3 LEU A 9 49.269 9.280 0.017 1.00 0.00 H new ATOM 0 HG LEU A 9 50.808 9.137 2.527 1.00 0.00 H new ATOM 0 HD11 LEU A 9 52.002 11.296 2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 9 52.604 10.060 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 9 51.494 11.327 0.510 1.00 0.00 H new ATOM 0 HD21 LEU A 9 49.621 11.283 2.935 1.00 0.00 H new ATOM 0 HD22 LEU A 9 49.100 11.316 1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 9 48.506 10.039 2.322 1.00 0.00 H new ATOM 140 N THR A 10 51.201 6.203 2.630 1.00 0.00 N ATOM 141 CA THR A 10 52.421 5.667 3.307 1.00 0.00 C ATOM 142 C THR A 10 52.996 4.483 2.500 1.00 0.00 C ATOM 143 O THR A 10 52.248 3.786 1.842 1.00 0.00 O ATOM 144 CB THR A 10 51.935 5.204 4.690 1.00 0.00 C ATOM 145 OG1 THR A 10 53.030 4.688 5.432 1.00 0.00 O ATOM 146 CG2 THR A 10 50.865 4.115 4.537 1.00 0.00 C ATOM 0 H THR A 10 50.317 5.963 3.079 1.00 0.00 H new ATOM 0 HA THR A 10 53.216 6.409 3.386 1.00 0.00 H new ATOM 0 HB THR A 10 51.505 6.056 5.216 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.719 4.395 6.314 1.00 0.00 H new ATOM 0 HG21 THR A 10 50.528 3.795 5.523 1.00 0.00 H new ATOM 0 HG22 THR A 10 50.019 4.512 3.976 1.00 0.00 H new ATOM 0 HG23 THR A 10 51.286 3.263 4.003 1.00 0.00 H new ATOM 154 N PRO A 11 54.305 4.269 2.564 1.00 0.00 N ATOM 155 CA PRO A 11 54.915 3.141 1.815 1.00 0.00 C ATOM 156 C PRO A 11 54.281 1.810 2.236 1.00 0.00 C ATOM 157 O PRO A 11 54.180 1.503 3.408 1.00 0.00 O ATOM 158 CB PRO A 11 56.391 3.216 2.224 1.00 0.00 C ATOM 159 CG PRO A 11 56.578 4.399 3.193 1.00 0.00 C ATOM 160 CD PRO A 11 55.235 5.117 3.363 1.00 0.00 C ATOM 0 HA PRO A 11 54.772 3.203 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 11 56.698 2.285 2.701 1.00 0.00 H new ATOM 0 HB3 PRO A 11 57.020 3.346 1.344 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.940 4.043 4.157 1.00 0.00 H new ATOM 0 HG3 PRO A 11 57.328 5.089 2.806 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.935 5.172 4.409 1.00 0.00 H new ATOM 0 HD3 PRO A 11 55.273 6.140 2.988 1.00 0.00 H new ATOM 168 N ALA A 12 53.845 1.028 1.280 1.00 0.00 N ATOM 169 CA ALA A 12 53.200 -0.285 1.604 1.00 0.00 C ATOM 170 C ALA A 12 54.127 -1.156 2.458 1.00 0.00 C ATOM 171 O ALA A 12 55.291 -1.327 2.151 1.00 0.00 O ATOM 172 CB ALA A 12 52.945 -0.949 0.248 1.00 0.00 C ATOM 0 H ALA A 12 53.908 1.242 0.285 1.00 0.00 H new ATOM 0 HA ALA A 12 52.283 -0.152 2.178 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.472 -1.919 0.401 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.289 -0.316 -0.349 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.892 -1.085 -0.274 1.00 0.00 H new ATOM 178 N ASP A 13 53.610 -1.710 3.526 1.00 0.00 N ATOM 179 CA ASP A 13 54.448 -2.579 4.408 1.00 0.00 C ATOM 180 C ASP A 13 54.604 -3.964 3.773 1.00 0.00 C ATOM 181 O ASP A 13 53.748 -4.817 3.910 1.00 0.00 O ATOM 182 CB ASP A 13 53.675 -2.673 5.732 1.00 0.00 C ATOM 183 CG ASP A 13 54.609 -2.349 6.901 1.00 0.00 C ATOM 184 OD1 ASP A 13 55.496 -3.145 7.165 1.00 0.00 O ATOM 185 OD2 ASP A 13 54.420 -1.310 7.512 1.00 0.00 O ATOM 0 H ASP A 13 52.642 -1.598 3.826 1.00 0.00 H new ATOM 0 HA ASP A 13 55.451 -2.178 4.557 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.834 -1.979 5.723 1.00 0.00 H new ATOM 0 HB3 ASP A 13 53.261 -3.674 5.852 1.00 0.00 H new ATOM 190 N ARG A 14 55.690 -4.189 3.077 1.00 0.00 N ATOM 191 CA ARG A 14 55.907 -5.515 2.426 1.00 0.00 C ATOM 192 C ARG A 14 57.252 -6.107 2.859 1.00 0.00 C ATOM 193 O ARG A 14 58.195 -6.158 2.090 1.00 0.00 O ATOM 194 CB ARG A 14 55.905 -5.218 0.925 1.00 0.00 C ATOM 195 CG ARG A 14 56.021 -6.528 0.142 1.00 0.00 C ATOM 196 CD ARG A 14 55.396 -6.350 -1.243 1.00 0.00 C ATOM 197 NE ARG A 14 56.217 -7.200 -2.149 1.00 0.00 N ATOM 198 CZ ARG A 14 56.942 -6.646 -3.082 1.00 0.00 C ATOM 199 NH1 ARG A 14 58.097 -6.117 -2.784 1.00 0.00 N ATOM 200 NH2 ARG A 14 56.511 -6.620 -4.313 1.00 0.00 N ATOM 0 H ARG A 14 56.437 -3.509 2.932 1.00 0.00 H new ATOM 0 HA ARG A 14 55.143 -6.242 2.700 1.00 0.00 H new ATOM 0 HB2 ARG A 14 54.988 -4.697 0.648 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.735 -4.558 0.674 1.00 0.00 H new ATOM 0 HG2 ARG A 14 57.068 -6.816 0.046 1.00 0.00 H new ATOM 0 HG3 ARG A 14 55.518 -7.332 0.680 1.00 0.00 H new ATOM 0 HD2 ARG A 14 54.352 -6.662 -1.248 1.00 0.00 H new ATOM 0 HD3 ARG A 14 55.418 -5.306 -1.554 1.00 0.00 H new ATOM 0 HE ARG A 14 56.213 -8.214 -2.040 1.00 0.00 H new ATOM 0 HH11 ARG A 14 58.434 -6.136 -1.821 1.00 0.00 H new ATOM 0 HH12 ARG A 14 58.663 -5.684 -3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 14 55.608 -7.033 -4.546 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.077 -6.187 -5.043 1.00 0.00 H new ATOM 214 N GLY A 15 57.347 -6.554 4.087 1.00 0.00 N ATOM 215 CA GLY A 15 58.627 -7.144 4.577 1.00 0.00 C ATOM 216 C GLY A 15 58.473 -7.569 6.040 1.00 0.00 C ATOM 217 O GLY A 15 58.794 -6.825 6.948 1.00 0.00 O ATOM 0 H GLY A 15 56.591 -6.535 4.771 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.900 -8.004 3.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 59.433 -6.417 4.482 1.00 0.00 H new ATOM 221 N LEU A 16 57.987 -8.762 6.271 1.00 0.00 N ATOM 222 CA LEU A 16 57.810 -9.249 7.672 1.00 0.00 C ATOM 223 C LEU A 16 57.714 -10.778 7.682 1.00 0.00 C ATOM 224 O LEU A 16 58.323 -11.440 8.501 1.00 0.00 O ATOM 225 CB LEU A 16 56.495 -8.622 8.153 1.00 0.00 C ATOM 226 CG LEU A 16 56.788 -7.519 9.174 1.00 0.00 C ATOM 227 CD1 LEU A 16 55.682 -6.465 9.119 1.00 0.00 C ATOM 228 CD2 LEU A 16 56.844 -8.127 10.580 1.00 0.00 C ATOM 0 H LEU A 16 57.704 -9.422 5.547 1.00 0.00 H new ATOM 0 HA LEU A 16 58.645 -8.975 8.316 1.00 0.00 H new ATOM 0 HB2 LEU A 16 55.947 -8.210 7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 16 55.860 -9.386 8.602 1.00 0.00 H new ATOM 0 HG LEU A 16 57.745 -7.053 8.940 1.00 0.00 H new ATOM 0 HD11 LEU A 16 55.891 -5.680 9.846 1.00 0.00 H new ATOM 0 HD12 LEU A 16 55.641 -6.032 8.119 1.00 0.00 H new ATOM 0 HD13 LEU A 16 54.724 -6.930 9.352 1.00 0.00 H new ATOM 0 HD21 LEU A 16 57.053 -7.343 11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 16 55.887 -8.593 10.813 1.00 0.00 H new ATOM 0 HD23 LEU A 16 57.633 -8.878 10.620 1.00 0.00 H new ATOM 240 N CYS A 17 56.955 -11.335 6.775 1.00 0.00 N ATOM 241 CA CYS A 17 56.813 -12.820 6.716 1.00 0.00 C ATOM 242 C CYS A 17 56.548 -13.264 5.275 1.00 0.00 C ATOM 243 O CYS A 17 56.176 -12.470 4.432 1.00 0.00 O ATOM 244 CB CYS A 17 55.610 -13.139 7.607 1.00 0.00 C ATOM 245 SG CYS A 17 56.178 -13.549 9.277 1.00 0.00 S ATOM 0 H CYS A 17 56.425 -10.823 6.070 1.00 0.00 H new ATOM 0 HA CYS A 17 57.713 -13.337 7.049 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.934 -12.284 7.642 1.00 0.00 H new ATOM 0 HB3 CYS A 17 55.047 -13.973 7.189 1.00 0.00 H new ATOM 250 N ARG A 18 56.742 -14.526 4.989 1.00 0.00 N ATOM 251 CA ARG A 18 56.508 -15.029 3.600 1.00 0.00 C ATOM 252 C ARG A 18 55.008 -15.219 3.344 1.00 0.00 C ATOM 253 O ARG A 18 54.539 -16.322 3.133 1.00 0.00 O ATOM 254 CB ARG A 18 57.249 -16.370 3.519 1.00 0.00 C ATOM 255 CG ARG A 18 56.716 -17.334 4.586 1.00 0.00 C ATOM 256 CD ARG A 18 56.635 -18.749 4.005 1.00 0.00 C ATOM 257 NE ARG A 18 57.883 -19.420 4.460 1.00 0.00 N ATOM 258 CZ ARG A 18 57.828 -20.615 4.981 1.00 0.00 C ATOM 259 NH1 ARG A 18 57.860 -21.666 4.208 1.00 0.00 N ATOM 260 NH2 ARG A 18 57.739 -20.758 6.274 1.00 0.00 N ATOM 0 H ARG A 18 57.053 -15.231 5.657 1.00 0.00 H new ATOM 0 HA ARG A 18 56.867 -14.327 2.848 1.00 0.00 H new ATOM 0 HB2 ARG A 18 57.121 -16.806 2.528 1.00 0.00 H new ATOM 0 HB3 ARG A 18 58.318 -16.212 3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 18 57.370 -17.325 5.458 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.731 -17.011 4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.750 -19.274 4.365 1.00 0.00 H new ATOM 0 HD3 ARG A 18 56.572 -18.727 2.917 1.00 0.00 H new ATOM 0 HE ARG A 18 58.781 -18.946 4.365 1.00 0.00 H new ATOM 0 HH11 ARG A 18 57.928 -21.553 3.197 1.00 0.00 H new ATOM 0 HH12 ARG A 18 57.817 -22.600 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 18 57.712 -19.936 6.877 1.00 0.00 H new ATOM 0 HH22 ARG A 18 57.696 -21.692 6.682 1.00 0.00 H new ATOM 274 N ALA A 19 54.256 -14.147 3.357 1.00 0.00 N ATOM 275 CA ALA A 19 52.785 -14.250 3.110 1.00 0.00 C ATOM 276 C ALA A 19 52.445 -13.674 1.732 1.00 0.00 C ATOM 277 O ALA A 19 52.746 -12.533 1.438 1.00 0.00 O ATOM 278 CB ALA A 19 52.136 -13.419 4.218 1.00 0.00 C ATOM 0 H ALA A 19 54.599 -13.202 3.529 1.00 0.00 H new ATOM 0 HA ALA A 19 52.433 -15.281 3.120 1.00 0.00 H new ATOM 0 HB1 ALA A 19 51.052 -13.445 4.105 1.00 0.00 H new ATOM 0 HB2 ALA A 19 52.410 -13.831 5.189 1.00 0.00 H new ATOM 0 HB3 ALA A 19 52.483 -12.388 4.150 1.00 0.00 H new ATOM 284 N ASN A 20 51.827 -14.459 0.887 1.00 0.00 N ATOM 285 CA ASN A 20 51.471 -13.967 -0.478 1.00 0.00 C ATOM 286 C ASN A 20 50.080 -13.324 -0.474 1.00 0.00 C ATOM 287 O ASN A 20 49.194 -13.736 -1.199 1.00 0.00 O ATOM 288 CB ASN A 20 51.486 -15.214 -1.362 1.00 0.00 C ATOM 289 CG ASN A 20 52.906 -15.783 -1.422 1.00 0.00 C ATOM 290 OD1 ASN A 20 53.869 -15.068 -1.228 1.00 0.00 O ATOM 291 ND2 ASN A 20 53.077 -17.050 -1.685 1.00 0.00 N ATOM 0 H ASN A 20 51.553 -15.422 1.084 1.00 0.00 H new ATOM 0 HA ASN A 20 52.164 -13.205 -0.833 1.00 0.00 H new ATOM 0 HB2 ASN A 20 50.800 -15.962 -0.965 1.00 0.00 H new ATOM 0 HB3 ASN A 20 51.140 -14.965 -2.365 1.00 0.00 H new ATOM 0 HD21 ASN A 20 54.019 -17.439 -1.728 1.00 0.00 H new ATOM 0 HD22 ASN A 20 52.269 -17.651 -1.848 1.00 0.00 H new ATOM 298 N GLU A 21 49.887 -12.310 0.332 1.00 0.00 N ATOM 299 CA GLU A 21 48.559 -11.629 0.383 1.00 0.00 C ATOM 300 C GLU A 21 48.507 -10.518 -0.669 1.00 0.00 C ATOM 301 O GLU A 21 49.437 -9.750 -0.813 1.00 0.00 O ATOM 302 CB GLU A 21 48.466 -11.046 1.793 1.00 0.00 C ATOM 303 CG GLU A 21 47.726 -12.027 2.704 1.00 0.00 C ATOM 304 CD GLU A 21 48.729 -12.992 3.337 1.00 0.00 C ATOM 305 OE1 GLU A 21 49.448 -13.641 2.594 1.00 0.00 O ATOM 306 OE2 GLU A 21 48.761 -13.067 4.555 1.00 0.00 O ATOM 0 H GLU A 21 50.594 -11.924 0.958 1.00 0.00 H new ATOM 0 HA GLU A 21 47.732 -12.307 0.174 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.465 -10.853 2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 21 47.943 -10.090 1.769 1.00 0.00 H new ATOM 0 HG2 GLU A 21 47.188 -11.483 3.481 1.00 0.00 H new ATOM 0 HG3 GLU A 21 46.983 -12.582 2.131 1.00 0.00 H new ATOM 313 N ASN A 22 47.430 -10.433 -1.407 1.00 0.00 N ATOM 314 CA ASN A 22 47.321 -9.373 -2.455 1.00 0.00 C ATOM 315 C ASN A 22 46.531 -8.175 -1.922 1.00 0.00 C ATOM 316 O ASN A 22 45.351 -8.034 -2.183 1.00 0.00 O ATOM 317 CB ASN A 22 46.578 -10.037 -3.614 1.00 0.00 C ATOM 318 CG ASN A 22 47.574 -10.811 -4.480 1.00 0.00 C ATOM 319 OD1 ASN A 22 48.484 -11.433 -3.969 1.00 0.00 O ATOM 320 ND2 ASN A 22 47.440 -10.797 -5.778 1.00 0.00 N ATOM 0 H ASN A 22 46.622 -11.051 -1.330 1.00 0.00 H new ATOM 0 HA ASN A 22 48.296 -8.994 -2.761 1.00 0.00 H new ATOM 0 HB2 ASN A 22 45.812 -10.711 -3.231 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.068 -9.283 -4.213 1.00 0.00 H new ATOM 0 HD21 ASN A 22 48.100 -11.309 -6.364 1.00 0.00 H new ATOM 0 HD22 ASN A 22 46.676 -10.275 -6.206 1.00 0.00 H new ATOM 327 N ARG A 23 47.177 -7.312 -1.179 1.00 0.00 N ATOM 328 CA ARG A 23 46.471 -6.117 -0.626 1.00 0.00 C ATOM 329 C ARG A 23 46.578 -4.942 -1.603 1.00 0.00 C ATOM 330 O ARG A 23 47.570 -4.783 -2.289 1.00 0.00 O ATOM 331 CB ARG A 23 47.193 -5.797 0.684 1.00 0.00 C ATOM 332 CG ARG A 23 46.957 -6.931 1.685 1.00 0.00 C ATOM 333 CD ARG A 23 45.470 -6.995 2.060 1.00 0.00 C ATOM 334 NE ARG A 23 45.027 -8.362 1.664 1.00 0.00 N ATOM 335 CZ ARG A 23 44.433 -9.133 2.534 1.00 0.00 C ATOM 336 NH1 ARG A 23 44.976 -9.337 3.703 1.00 0.00 N ATOM 337 NH2 ARG A 23 43.297 -9.699 2.233 1.00 0.00 N ATOM 0 H ARG A 23 48.164 -7.384 -0.931 1.00 0.00 H new ATOM 0 HA ARG A 23 45.409 -6.302 -0.467 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.261 -5.673 0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.828 -4.855 1.092 1.00 0.00 H new ATOM 0 HG2 ARG A 23 47.273 -7.881 1.253 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.560 -6.770 2.579 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.325 -6.828 3.127 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.898 -6.229 1.537 1.00 0.00 H new ATOM 0 HE ARG A 23 45.188 -8.695 0.713 1.00 0.00 H new ATOM 0 HH11 ARG A 23 45.865 -8.894 3.937 1.00 0.00 H new ATOM 0 HH12 ARG A 23 44.512 -9.939 4.383 1.00 0.00 H new ATOM 0 HH21 ARG A 23 42.874 -9.539 1.319 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.832 -10.302 2.912 1.00 0.00 H new ATOM 351 N PHE A 24 45.560 -4.120 -1.671 1.00 0.00 N ATOM 352 CA PHE A 24 45.592 -2.953 -2.603 1.00 0.00 C ATOM 353 C PHE A 24 46.180 -1.724 -1.903 1.00 0.00 C ATOM 354 O PHE A 24 45.543 -1.105 -1.074 1.00 0.00 O ATOM 355 CB PHE A 24 44.131 -2.711 -2.982 1.00 0.00 C ATOM 356 CG PHE A 24 43.758 -3.603 -4.141 1.00 0.00 C ATOM 357 CD1 PHE A 24 44.253 -3.333 -5.422 1.00 0.00 C ATOM 358 CD2 PHE A 24 42.917 -4.704 -3.935 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.907 -4.161 -6.497 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.571 -5.532 -5.009 1.00 0.00 C ATOM 361 CZ PHE A 24 43.066 -5.261 -6.289 1.00 0.00 C ATOM 0 H PHE A 24 44.707 -4.208 -1.119 1.00 0.00 H new ATOM 0 HA PHE A 24 46.215 -3.141 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.484 -2.915 -2.129 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.982 -1.665 -3.251 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.903 -2.485 -5.582 1.00 0.00 H new ATOM 0 HD2 PHE A 24 42.535 -4.914 -2.947 1.00 0.00 H new ATOM 0 HE1 PHE A 24 44.288 -3.951 -7.485 1.00 0.00 H new ATOM 0 HE2 PHE A 24 41.922 -6.380 -4.850 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.799 -5.901 -7.117 1.00 0.00 H new ATOM 371 N TYR A 25 47.394 -1.371 -2.240 1.00 0.00 N ATOM 372 CA TYR A 25 48.045 -0.185 -1.608 1.00 0.00 C ATOM 373 C TYR A 25 47.702 1.083 -2.412 1.00 0.00 C ATOM 374 O TYR A 25 47.900 1.140 -3.610 1.00 0.00 O ATOM 375 CB TYR A 25 49.555 -0.525 -1.647 1.00 0.00 C ATOM 376 CG TYR A 25 50.416 0.724 -1.717 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.290 1.722 -0.744 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.330 0.878 -2.765 1.00 0.00 C ATOM 379 CE1 TYR A 25 51.081 2.875 -0.822 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.120 2.029 -2.842 1.00 0.00 C ATOM 381 CZ TYR A 25 51.997 3.028 -1.870 1.00 0.00 C ATOM 382 OH TYR A 25 52.776 4.165 -1.946 1.00 0.00 O ATOM 0 H TYR A 25 47.966 -1.857 -2.931 1.00 0.00 H new ATOM 0 HA TYR A 25 47.713 0.015 -0.589 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.821 -1.100 -0.760 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.762 -1.158 -2.510 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.584 1.603 0.065 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.425 0.107 -3.515 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.984 3.647 -0.073 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.825 2.147 -3.652 1.00 0.00 H new ATOM 0 HH TYR A 25 53.358 4.111 -2.733 1.00 0.00 H new ATOM 392 N TYR A 26 47.208 2.099 -1.749 1.00 0.00 N ATOM 393 CA TYR A 26 46.866 3.371 -2.458 1.00 0.00 C ATOM 394 C TYR A 26 48.151 4.079 -2.899 1.00 0.00 C ATOM 395 O TYR A 26 48.938 4.518 -2.081 1.00 0.00 O ATOM 396 CB TYR A 26 46.109 4.216 -1.426 1.00 0.00 C ATOM 397 CG TYR A 26 45.690 5.528 -2.048 1.00 0.00 C ATOM 398 CD1 TYR A 26 46.599 6.590 -2.119 1.00 0.00 C ATOM 399 CD2 TYR A 26 44.393 5.684 -2.552 1.00 0.00 C ATOM 400 CE1 TYR A 26 46.213 7.806 -2.693 1.00 0.00 C ATOM 401 CE2 TYR A 26 44.007 6.900 -3.127 1.00 0.00 C ATOM 402 CZ TYR A 26 44.917 7.962 -3.198 1.00 0.00 C ATOM 403 OH TYR A 26 44.536 9.161 -3.764 1.00 0.00 O ATOM 0 H TYR A 26 47.026 2.102 -0.745 1.00 0.00 H new ATOM 0 HA TYR A 26 46.268 3.201 -3.353 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.232 3.674 -1.072 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.742 4.400 -0.558 1.00 0.00 H new ATOM 0 HD1 TYR A 26 47.599 6.471 -1.730 1.00 0.00 H new ATOM 0 HD2 TYR A 26 43.690 4.866 -2.497 1.00 0.00 H new ATOM 0 HE1 TYR A 26 46.915 8.625 -2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 26 43.007 7.019 -3.516 1.00 0.00 H new ATOM 0 HH TYR A 26 43.605 9.100 -4.065 1.00 0.00 H new ATOM 413 N ASN A 27 48.369 4.187 -4.184 1.00 0.00 N ATOM 414 CA ASN A 27 49.604 4.861 -4.687 1.00 0.00 C ATOM 415 C ASN A 27 49.352 6.359 -4.878 1.00 0.00 C ATOM 416 O ASN A 27 48.446 6.759 -5.584 1.00 0.00 O ATOM 417 CB ASN A 27 49.900 4.190 -6.028 1.00 0.00 C ATOM 418 CG ASN A 27 51.404 4.243 -6.306 1.00 0.00 C ATOM 419 OD1 ASN A 27 52.054 5.228 -6.017 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.989 3.216 -6.858 1.00 0.00 N ATOM 0 H ASN A 27 47.743 3.836 -4.909 1.00 0.00 H new ATOM 0 HA ASN A 27 50.438 4.769 -3.991 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.559 3.155 -6.012 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.354 4.693 -6.826 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.991 3.240 -7.047 1.00 0.00 H new ATOM 0 HD22 ASN A 27 51.444 2.389 -7.101 1.00 0.00 H new ATOM 427 N SER A 28 50.153 7.188 -4.254 1.00 0.00 N ATOM 428 CA SER A 28 49.971 8.666 -4.393 1.00 0.00 C ATOM 429 C SER A 28 50.603 9.189 -5.695 1.00 0.00 C ATOM 430 O SER A 28 50.614 10.381 -5.943 1.00 0.00 O ATOM 431 CB SER A 28 50.680 9.266 -3.179 1.00 0.00 C ATOM 432 OG SER A 28 50.359 10.649 -3.084 1.00 0.00 O ATOM 0 H SER A 28 50.927 6.904 -3.653 1.00 0.00 H new ATOM 0 HA SER A 28 48.916 8.937 -4.437 1.00 0.00 H new ATOM 0 HB2 SER A 28 50.374 8.746 -2.271 1.00 0.00 H new ATOM 0 HB3 SER A 28 51.758 9.137 -3.272 1.00 0.00 H new ATOM 0 HG SER A 28 50.332 11.041 -3.982 1.00 0.00 H new ATOM 438 N VAL A 29 51.128 8.318 -6.528 1.00 0.00 N ATOM 439 CA VAL A 29 51.751 8.779 -7.806 1.00 0.00 C ATOM 440 C VAL A 29 50.778 8.560 -8.970 1.00 0.00 C ATOM 441 O VAL A 29 50.509 9.463 -9.741 1.00 0.00 O ATOM 442 CB VAL A 29 53.007 7.914 -7.970 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.723 8.281 -9.273 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.951 8.158 -6.789 1.00 0.00 C ATOM 0 H VAL A 29 51.150 7.310 -6.375 1.00 0.00 H new ATOM 0 HA VAL A 29 51.995 9.841 -7.794 1.00 0.00 H new ATOM 0 HB VAL A 29 52.718 6.863 -8.000 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.614 7.664 -9.385 1.00 0.00 H new ATOM 0 HG12 VAL A 29 53.054 8.109 -10.116 1.00 0.00 H new ATOM 0 HG13 VAL A 29 54.011 9.332 -9.247 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.844 7.544 -6.904 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.235 9.210 -6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.447 7.894 -5.859 1.00 0.00 H new ATOM 454 N ILE A 30 50.249 7.369 -9.099 1.00 0.00 N ATOM 455 CA ILE A 30 49.288 7.092 -10.211 1.00 0.00 C ATOM 456 C ILE A 30 47.854 7.396 -9.758 1.00 0.00 C ATOM 457 O ILE A 30 47.045 7.871 -10.533 1.00 0.00 O ATOM 458 CB ILE A 30 49.474 5.612 -10.581 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.232 4.709 -9.367 1.00 0.00 C ATOM 460 CG2 ILE A 30 50.902 5.397 -11.086 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.169 3.252 -9.830 1.00 0.00 C ATOM 0 H ILE A 30 50.440 6.578 -8.484 1.00 0.00 H new ATOM 0 HA ILE A 30 49.474 7.723 -11.080 1.00 0.00 H new ATOM 0 HB ILE A 30 48.752 5.355 -11.356 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.032 4.837 -8.638 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.302 4.987 -8.872 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.041 4.349 -11.350 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.075 6.019 -11.965 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.610 5.670 -10.303 1.00 0.00 H new ATOM 0 HD11 ILE A 30 48.997 2.604 -8.970 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.354 3.132 -10.544 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.111 2.980 -10.306 1.00 0.00 H new ATOM 473 N GLY A 31 47.540 7.159 -8.505 1.00 0.00 N ATOM 474 CA GLY A 31 46.166 7.473 -8.005 1.00 0.00 C ATOM 475 C GLY A 31 45.413 6.194 -7.629 1.00 0.00 C ATOM 476 O GLY A 31 44.776 6.128 -6.593 1.00 0.00 O ATOM 0 H GLY A 31 48.174 6.763 -7.811 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.232 8.129 -7.137 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.611 8.014 -8.772 1.00 0.00 H new ATOM 480 N LYS A 32 45.465 5.187 -8.462 1.00 0.00 N ATOM 481 CA LYS A 32 44.733 3.921 -8.152 1.00 0.00 C ATOM 482 C LYS A 32 45.528 3.069 -7.157 1.00 0.00 C ATOM 483 O LYS A 32 46.692 3.317 -6.907 1.00 0.00 O ATOM 484 CB LYS A 32 44.582 3.204 -9.499 1.00 0.00 C ATOM 485 CG LYS A 32 45.964 2.898 -10.092 1.00 0.00 C ATOM 486 CD LYS A 32 46.212 1.386 -10.072 1.00 0.00 C ATOM 487 CE LYS A 32 45.602 0.755 -11.325 1.00 0.00 C ATOM 488 NZ LYS A 32 46.671 0.847 -12.357 1.00 0.00 N ATOM 0 H LYS A 32 45.981 5.186 -9.342 1.00 0.00 H new ATOM 0 HA LYS A 32 43.765 4.109 -7.688 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.022 2.278 -9.366 1.00 0.00 H new ATOM 0 HB3 LYS A 32 44.011 3.826 -10.189 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.023 3.272 -11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 32 46.737 3.411 -9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 32 47.282 1.182 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 32 45.771 0.946 -9.178 1.00 0.00 H new ATOM 0 HE2 LYS A 32 45.314 -0.281 -11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 32 44.703 1.287 -11.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 46.329 0.434 -13.248 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 46.920 1.845 -12.511 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 47.511 0.326 -12.034 1.00 0.00 H new ATOM 502 N CYS A 33 44.902 2.068 -6.590 1.00 0.00 N ATOM 503 CA CYS A 33 45.609 1.194 -5.608 1.00 0.00 C ATOM 504 C CYS A 33 46.323 0.050 -6.333 1.00 0.00 C ATOM 505 O CYS A 33 45.702 -0.737 -7.023 1.00 0.00 O ATOM 506 CB CYS A 33 44.508 0.645 -4.700 1.00 0.00 C ATOM 507 SG CYS A 33 43.720 2.007 -3.805 1.00 0.00 S ATOM 0 H CYS A 33 43.929 1.819 -6.766 1.00 0.00 H new ATOM 0 HA CYS A 33 46.369 1.738 -5.047 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.767 0.110 -5.294 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.929 -0.071 -3.994 1.00 0.00 H new ATOM 512 N ARG A 34 47.621 -0.046 -6.181 1.00 0.00 N ATOM 513 CA ARG A 34 48.376 -1.141 -6.862 1.00 0.00 C ATOM 514 C ARG A 34 48.429 -2.393 -5.945 1.00 0.00 C ATOM 515 O ARG A 34 48.901 -2.294 -4.829 1.00 0.00 O ATOM 516 CB ARG A 34 49.778 -0.560 -7.116 1.00 0.00 C ATOM 517 CG ARG A 34 50.523 -0.326 -5.794 1.00 0.00 C ATOM 518 CD ARG A 34 51.479 -1.495 -5.535 1.00 0.00 C ATOM 519 NE ARG A 34 52.711 -1.157 -6.302 1.00 0.00 N ATOM 520 CZ ARG A 34 53.866 -1.109 -5.696 1.00 0.00 C ATOM 521 NH1 ARG A 34 54.163 -0.090 -4.936 1.00 0.00 N ATOM 522 NH2 ARG A 34 54.725 -2.079 -5.848 1.00 0.00 N ATOM 0 H ARG A 34 48.189 0.586 -5.616 1.00 0.00 H new ATOM 0 HA ARG A 34 47.911 -1.463 -7.794 1.00 0.00 H new ATOM 0 HB2 ARG A 34 50.350 -1.242 -7.744 1.00 0.00 H new ATOM 0 HB3 ARG A 34 49.693 0.380 -7.661 1.00 0.00 H new ATOM 0 HG2 ARG A 34 51.079 0.610 -5.838 1.00 0.00 H new ATOM 0 HG3 ARG A 34 49.811 -0.235 -4.974 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.692 -1.603 -4.472 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.050 -2.439 -5.872 1.00 0.00 H new ATOM 0 HE ARG A 34 52.652 -0.963 -7.302 1.00 0.00 H new ATOM 0 HH11 ARG A 34 53.492 0.669 -4.816 1.00 0.00 H new ATOM 0 HH12 ARG A 34 55.066 -0.053 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 34 54.494 -2.876 -6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 34 55.627 -2.040 -5.374 1.00 0.00 H new ATOM 536 N PRO A 35 47.941 -3.537 -6.413 1.00 0.00 N ATOM 537 CA PRO A 35 47.962 -4.754 -5.562 1.00 0.00 C ATOM 538 C PRO A 35 49.403 -5.168 -5.241 1.00 0.00 C ATOM 539 O PRO A 35 50.156 -5.552 -6.116 1.00 0.00 O ATOM 540 CB PRO A 35 47.272 -5.804 -6.443 1.00 0.00 C ATOM 541 CG PRO A 35 46.879 -5.149 -7.779 1.00 0.00 C ATOM 542 CD PRO A 35 47.354 -3.691 -7.773 1.00 0.00 C ATOM 0 HA PRO A 35 47.473 -4.615 -4.598 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.940 -6.647 -6.618 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.388 -6.196 -5.940 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.330 -5.689 -8.611 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.799 -5.193 -7.918 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.090 -3.503 -8.554 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.530 -2.997 -7.938 1.00 0.00 H new ATOM 550 N PHE A 36 49.784 -5.101 -3.989 1.00 0.00 N ATOM 551 CA PHE A 36 51.170 -5.500 -3.600 1.00 0.00 C ATOM 552 C PHE A 36 51.122 -6.763 -2.726 1.00 0.00 C ATOM 553 O PHE A 36 50.134 -7.025 -2.065 1.00 0.00 O ATOM 554 CB PHE A 36 51.748 -4.287 -2.839 1.00 0.00 C ATOM 555 CG PHE A 36 51.127 -4.155 -1.460 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.888 -3.525 -1.305 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.799 -4.663 -0.341 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.317 -3.405 -0.032 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.229 -4.541 0.932 1.00 0.00 C ATOM 560 CZ PHE A 36 49.988 -3.913 1.086 1.00 0.00 C ATOM 0 H PHE A 36 49.193 -4.787 -3.219 1.00 0.00 H new ATOM 0 HA PHE A 36 51.796 -5.747 -4.458 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.829 -4.395 -2.745 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.567 -3.377 -3.410 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.371 -3.131 -2.168 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.756 -5.149 -0.460 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.359 -2.921 0.087 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.747 -4.932 1.795 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.548 -3.820 2.068 1.00 0.00 H new ATOM 570 N LYS A 37 52.174 -7.541 -2.723 1.00 0.00 N ATOM 571 CA LYS A 37 52.179 -8.785 -1.895 1.00 0.00 C ATOM 572 C LYS A 37 52.349 -8.439 -0.413 1.00 0.00 C ATOM 573 O LYS A 37 53.453 -8.311 0.082 1.00 0.00 O ATOM 574 CB LYS A 37 53.365 -9.608 -2.397 1.00 0.00 C ATOM 575 CG LYS A 37 52.989 -11.092 -2.384 1.00 0.00 C ATOM 576 CD LYS A 37 54.260 -11.952 -2.376 1.00 0.00 C ATOM 577 CE LYS A 37 54.513 -12.517 -3.777 1.00 0.00 C ATOM 578 NZ LYS A 37 55.215 -11.427 -4.510 1.00 0.00 N ATOM 0 H LYS A 37 53.027 -7.370 -3.256 1.00 0.00 H new ATOM 0 HA LYS A 37 51.243 -9.336 -1.985 1.00 0.00 H new ATOM 0 HB2 LYS A 37 53.637 -9.298 -3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.236 -9.436 -1.765 1.00 0.00 H new ATOM 0 HG2 LYS A 37 52.383 -11.315 -1.506 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.383 -11.330 -3.258 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.113 -11.354 -2.056 1.00 0.00 H new ATOM 0 HD3 LYS A 37 54.155 -12.766 -1.659 1.00 0.00 H new ATOM 0 HE2 LYS A 37 55.122 -13.420 -3.735 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.578 -12.786 -4.269 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 55.898 -11.841 -5.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 54.520 -10.858 -5.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 55.717 -10.820 -3.831 1.00 0.00 H new ATOM 592 N TYR A 38 51.257 -8.296 0.291 1.00 0.00 N ATOM 593 CA TYR A 38 51.330 -7.965 1.748 1.00 0.00 C ATOM 594 C TYR A 38 51.807 -9.190 2.538 1.00 0.00 C ATOM 595 O TYR A 38 51.642 -10.318 2.112 1.00 0.00 O ATOM 596 CB TYR A 38 49.893 -7.583 2.134 1.00 0.00 C ATOM 597 CG TYR A 38 49.794 -7.333 3.625 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.643 -6.407 4.241 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.850 -8.032 4.386 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.547 -6.180 5.620 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.753 -7.806 5.763 1.00 0.00 C ATOM 602 CZ TYR A 38 49.602 -6.879 6.380 1.00 0.00 C ATOM 603 OH TYR A 38 49.507 -6.655 7.739 1.00 0.00 O ATOM 0 H TYR A 38 50.312 -8.394 -0.081 1.00 0.00 H new ATOM 0 HA TYR A 38 52.032 -7.160 1.965 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.589 -6.690 1.588 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.208 -8.381 1.847 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.372 -5.868 3.654 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.196 -8.747 3.909 1.00 0.00 H new ATOM 0 HE1 TYR A 38 51.202 -5.466 6.097 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.024 -8.346 6.350 1.00 0.00 H new ATOM 0 HH TYR A 38 50.323 -6.214 8.056 1.00 0.00 H new ATOM 613 N SER A 39 52.391 -8.969 3.687 1.00 0.00 N ATOM 614 CA SER A 39 52.878 -10.106 4.520 1.00 0.00 C ATOM 615 C SER A 39 51.815 -10.495 5.551 1.00 0.00 C ATOM 616 O SER A 39 50.712 -9.980 5.540 1.00 0.00 O ATOM 617 CB SER A 39 54.132 -9.577 5.215 1.00 0.00 C ATOM 618 OG SER A 39 54.564 -10.516 6.191 1.00 0.00 O ATOM 0 H SER A 39 52.552 -8.044 4.085 1.00 0.00 H new ATOM 0 HA SER A 39 53.087 -10.996 3.927 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.922 -9.407 4.483 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.922 -8.617 5.686 1.00 0.00 H new ATOM 0 HG SER A 39 54.411 -10.150 7.087 1.00 0.00 H new ATOM 624 N GLY A 40 52.140 -11.400 6.439 1.00 0.00 N ATOM 625 CA GLY A 40 51.154 -11.828 7.474 1.00 0.00 C ATOM 626 C GLY A 40 51.832 -11.867 8.845 1.00 0.00 C ATOM 627 O GLY A 40 51.809 -12.873 9.528 1.00 0.00 O ATOM 0 H GLY A 40 53.048 -11.861 6.491 1.00 0.00 H new ATOM 0 HA2 GLY A 40 50.310 -11.138 7.494 1.00 0.00 H new ATOM 0 HA3 GLY A 40 50.756 -12.812 7.226 1.00 0.00 H new ATOM 631 N CYS A 41 52.437 -10.778 9.248 1.00 0.00 N ATOM 632 CA CYS A 41 53.121 -10.744 10.575 1.00 0.00 C ATOM 633 C CYS A 41 53.127 -9.318 11.134 1.00 0.00 C ATOM 634 O CYS A 41 54.006 -8.945 11.889 1.00 0.00 O ATOM 635 CB CYS A 41 54.550 -11.214 10.296 1.00 0.00 C ATOM 636 SG CYS A 41 54.639 -13.013 10.470 1.00 0.00 S ATOM 0 H CYS A 41 52.486 -9.910 8.714 1.00 0.00 H new ATOM 0 HA CYS A 41 52.620 -11.372 11.312 1.00 0.00 H new ATOM 0 HB2 CYS A 41 54.851 -10.920 9.290 1.00 0.00 H new ATOM 0 HB3 CYS A 41 55.243 -10.736 10.989 1.00 0.00 H new ATOM 641 N GLY A 42 52.154 -8.522 10.768 1.00 0.00 N ATOM 642 CA GLY A 42 52.098 -7.119 11.275 1.00 0.00 C ATOM 643 C GLY A 42 52.103 -6.148 10.095 1.00 0.00 C ATOM 644 O GLY A 42 51.628 -6.462 9.019 1.00 0.00 O ATOM 0 H GLY A 42 51.395 -8.785 10.139 1.00 0.00 H new ATOM 0 HA2 GLY A 42 51.200 -6.974 11.875 1.00 0.00 H new ATOM 0 HA3 GLY A 42 52.951 -6.922 11.925 1.00 0.00 H new ATOM 648 N GLY A 43 52.635 -4.968 10.290 1.00 0.00 N ATOM 649 CA GLY A 43 52.675 -3.966 9.185 1.00 0.00 C ATOM 650 C GLY A 43 51.776 -2.779 9.536 1.00 0.00 C ATOM 651 O GLY A 43 51.266 -2.681 10.637 1.00 0.00 O ATOM 0 H GLY A 43 53.044 -4.656 11.170 1.00 0.00 H new ATOM 0 HA2 GLY A 43 53.698 -3.626 9.026 1.00 0.00 H new ATOM 0 HA3 GLY A 43 52.343 -4.424 8.253 1.00 0.00 H new ATOM 655 N ASN A 44 51.579 -1.880 8.606 1.00 0.00 N ATOM 656 CA ASN A 44 50.712 -0.692 8.874 1.00 0.00 C ATOM 657 C ASN A 44 49.238 -1.107 8.889 1.00 0.00 C ATOM 658 O ASN A 44 48.915 -2.279 8.878 1.00 0.00 O ATOM 659 CB ASN A 44 50.986 0.274 7.720 1.00 0.00 C ATOM 660 CG ASN A 44 52.022 1.311 8.157 1.00 0.00 C ATOM 661 OD1 ASN A 44 53.014 0.974 8.771 1.00 0.00 O ATOM 662 ND2 ASN A 44 51.831 2.569 7.865 1.00 0.00 N ATOM 0 H ASN A 44 51.982 -1.917 7.670 1.00 0.00 H new ATOM 0 HA ASN A 44 50.925 -0.237 9.841 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.349 -0.275 6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 44 50.063 0.770 7.420 1.00 0.00 H new ATOM 0 HD21 ASN A 44 52.515 3.269 8.153 1.00 0.00 H new ATOM 0 HD22 ASN A 44 50.998 2.852 7.349 1.00 0.00 H new ATOM 669 N GLU A 45 48.347 -0.149 8.917 1.00 0.00 N ATOM 670 CA GLU A 45 46.891 -0.475 8.936 1.00 0.00 C ATOM 671 C GLU A 45 46.208 0.052 7.672 1.00 0.00 C ATOM 672 O GLU A 45 45.032 0.365 7.679 1.00 0.00 O ATOM 673 CB GLU A 45 46.346 0.238 10.174 1.00 0.00 C ATOM 674 CG GLU A 45 45.094 -0.487 10.672 1.00 0.00 C ATOM 675 CD GLU A 45 45.491 -1.836 11.275 1.00 0.00 C ATOM 676 OE1 GLU A 45 46.299 -1.840 12.188 1.00 0.00 O ATOM 677 OE2 GLU A 45 44.979 -2.843 10.812 1.00 0.00 O ATOM 0 H GLU A 45 48.567 0.847 8.928 1.00 0.00 H new ATOM 0 HA GLU A 45 46.710 -1.549 8.966 1.00 0.00 H new ATOM 0 HB2 GLU A 45 47.103 0.258 10.958 1.00 0.00 H new ATOM 0 HB3 GLU A 45 46.108 1.274 9.934 1.00 0.00 H new ATOM 0 HG2 GLU A 45 44.582 0.120 11.418 1.00 0.00 H new ATOM 0 HG3 GLU A 45 44.396 -0.636 9.849 1.00 0.00 H new ATOM 684 N ASN A 46 46.934 0.147 6.586 1.00 0.00 N ATOM 685 CA ASN A 46 46.327 0.652 5.318 1.00 0.00 C ATOM 686 C ASN A 46 46.226 -0.482 4.291 1.00 0.00 C ATOM 687 O ASN A 46 46.380 -0.271 3.103 1.00 0.00 O ATOM 688 CB ASN A 46 47.269 1.757 4.827 1.00 0.00 C ATOM 689 CG ASN A 46 48.668 1.189 4.557 1.00 0.00 C ATOM 690 OD1 ASN A 46 49.114 0.281 5.230 1.00 0.00 O ATOM 691 ND2 ASN A 46 49.382 1.694 3.591 1.00 0.00 N ATOM 0 H ASN A 46 47.921 -0.104 6.524 1.00 0.00 H new ATOM 0 HA ASN A 46 45.316 1.030 5.468 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.870 2.205 3.917 1.00 0.00 H new ATOM 0 HB3 ASN A 46 47.329 2.550 5.573 1.00 0.00 H new ATOM 0 HD21 ASN A 46 50.314 1.327 3.400 1.00 0.00 H new ATOM 0 HD22 ASN A 46 49.008 2.456 3.025 1.00 0.00 H new ATOM 698 N ASN A 47 45.969 -1.681 4.748 1.00 0.00 N ATOM 699 CA ASN A 47 45.857 -2.839 3.812 1.00 0.00 C ATOM 700 C ASN A 47 44.407 -3.011 3.349 1.00 0.00 C ATOM 701 O ASN A 47 43.573 -3.517 4.074 1.00 0.00 O ATOM 702 CB ASN A 47 46.308 -4.050 4.630 1.00 0.00 C ATOM 703 CG ASN A 47 47.830 -4.174 4.556 1.00 0.00 C ATOM 704 OD1 ASN A 47 48.349 -4.969 3.799 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.573 -3.415 5.315 1.00 0.00 N ATOM 0 H ASN A 47 45.832 -1.908 5.733 1.00 0.00 H new ATOM 0 HA ASN A 47 46.460 -2.705 2.914 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.991 -3.941 5.667 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.839 -4.956 4.247 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.589 -3.490 5.272 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.137 -2.747 5.951 1.00 0.00 H new ATOM 712 N PHE A 48 44.105 -2.597 2.143 1.00 0.00 N ATOM 713 CA PHE A 48 42.712 -2.737 1.624 1.00 0.00 C ATOM 714 C PHE A 48 42.519 -4.125 1.004 1.00 0.00 C ATOM 715 O PHE A 48 43.161 -4.472 0.031 1.00 0.00 O ATOM 716 CB PHE A 48 42.572 -1.646 0.563 1.00 0.00 C ATOM 717 CG PHE A 48 42.462 -0.300 1.240 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.294 0.041 1.933 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.529 0.605 1.178 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.193 1.287 2.563 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.427 1.851 1.808 1.00 0.00 C ATOM 722 CZ PHE A 48 42.259 2.192 2.500 1.00 0.00 C ATOM 0 H PHE A 48 44.766 -2.167 1.495 1.00 0.00 H new ATOM 0 HA PHE A 48 41.964 -2.634 2.410 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.433 -1.660 -0.105 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.690 -1.830 -0.050 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.471 -0.657 1.981 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.430 0.342 0.644 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.292 1.550 3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.250 2.549 1.760 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.180 3.154 2.985 1.00 0.00 H new ATOM 732 N THR A 49 41.645 -4.919 1.568 1.00 0.00 N ATOM 733 CA THR A 49 41.411 -6.293 1.022 1.00 0.00 C ATOM 734 C THR A 49 40.823 -6.221 -0.395 1.00 0.00 C ATOM 735 O THR A 49 41.009 -7.119 -1.195 1.00 0.00 O ATOM 736 CB THR A 49 40.423 -6.955 1.994 1.00 0.00 C ATOM 737 OG1 THR A 49 40.172 -8.289 1.573 1.00 0.00 O ATOM 738 CG2 THR A 49 39.104 -6.175 2.026 1.00 0.00 C ATOM 0 H THR A 49 41.082 -4.676 2.383 1.00 0.00 H new ATOM 0 HA THR A 49 42.338 -6.862 0.942 1.00 0.00 H new ATOM 0 HB THR A 49 40.857 -6.956 2.994 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.543 -8.715 2.192 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.414 -6.656 2.719 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.294 -5.153 2.353 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.665 -6.161 1.028 1.00 0.00 H new ATOM 746 N SER A 50 40.113 -5.165 -0.705 1.00 0.00 N ATOM 747 CA SER A 50 39.510 -5.036 -2.067 1.00 0.00 C ATOM 748 C SER A 50 39.908 -3.703 -2.708 1.00 0.00 C ATOM 749 O SER A 50 40.636 -2.919 -2.127 1.00 0.00 O ATOM 750 CB SER A 50 37.999 -5.090 -1.838 1.00 0.00 C ATOM 751 OG SER A 50 37.587 -6.448 -1.745 1.00 0.00 O ATOM 0 H SER A 50 39.925 -4.386 -0.073 1.00 0.00 H new ATOM 0 HA SER A 50 39.851 -5.822 -2.741 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.739 -4.555 -0.925 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.477 -4.595 -2.657 1.00 0.00 H new ATOM 0 HG SER A 50 36.619 -6.487 -1.596 1.00 0.00 H new ATOM 757 N LYS A 51 39.437 -3.445 -3.902 1.00 0.00 N ATOM 758 CA LYS A 51 39.782 -2.165 -4.594 1.00 0.00 C ATOM 759 C LYS A 51 38.649 -1.148 -4.432 1.00 0.00 C ATOM 760 O LYS A 51 38.884 0.021 -4.188 1.00 0.00 O ATOM 761 CB LYS A 51 39.954 -2.543 -6.065 1.00 0.00 C ATOM 762 CG LYS A 51 40.638 -1.396 -6.811 1.00 0.00 C ATOM 763 CD LYS A 51 41.409 -1.954 -8.010 1.00 0.00 C ATOM 764 CE LYS A 51 42.661 -1.102 -8.266 1.00 0.00 C ATOM 765 NZ LYS A 51 42.538 -0.642 -9.678 1.00 0.00 N ATOM 0 H LYS A 51 38.826 -4.068 -4.430 1.00 0.00 H new ATOM 0 HA LYS A 51 40.680 -1.705 -4.182 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.549 -3.452 -6.150 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.983 -2.754 -6.513 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.895 -0.673 -7.148 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.317 -0.867 -6.142 1.00 0.00 H new ATOM 0 HD2 LYS A 51 41.695 -2.989 -7.821 1.00 0.00 H new ATOM 0 HD3 LYS A 51 40.772 -1.956 -8.895 1.00 0.00 H new ATOM 0 HE2 LYS A 51 42.709 -0.257 -7.579 1.00 0.00 H new ATOM 0 HE3 LYS A 51 43.571 -1.684 -8.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 43.359 -0.053 -9.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 42.501 -1.467 -10.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 41.667 -0.084 -9.787 1.00 0.00 H new ATOM 779 N GLN A 52 37.419 -1.586 -4.567 1.00 0.00 N ATOM 780 CA GLN A 52 36.259 -0.646 -4.421 1.00 0.00 C ATOM 781 C GLN A 52 36.321 0.067 -3.064 1.00 0.00 C ATOM 782 O GLN A 52 35.931 1.214 -2.936 1.00 0.00 O ATOM 783 CB GLN A 52 35.005 -1.527 -4.520 1.00 0.00 C ATOM 784 CG GLN A 52 35.019 -2.593 -3.419 1.00 0.00 C ATOM 785 CD GLN A 52 34.175 -3.791 -3.860 1.00 0.00 C ATOM 786 OE1 GLN A 52 34.553 -4.518 -4.757 1.00 0.00 O ATOM 787 NE2 GLN A 52 33.039 -4.029 -3.264 1.00 0.00 N ATOM 0 H GLN A 52 37.168 -2.553 -4.772 1.00 0.00 H new ATOM 0 HA GLN A 52 36.262 0.131 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 52 34.111 -0.911 -4.428 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.964 -2.005 -5.499 1.00 0.00 H new ATOM 0 HG2 GLN A 52 36.042 -2.910 -3.217 1.00 0.00 H new ATOM 0 HG3 GLN A 52 34.625 -2.178 -2.491 1.00 0.00 H new ATOM 0 HE21 GLN A 52 32.721 -3.419 -2.511 1.00 0.00 H new ATOM 0 HE22 GLN A 52 32.469 -4.825 -3.551 1.00 0.00 H new ATOM 796 N GLU A 53 36.822 -0.606 -2.060 1.00 0.00 N ATOM 797 CA GLU A 53 36.929 0.021 -0.711 1.00 0.00 C ATOM 798 C GLU A 53 38.177 0.903 -0.645 1.00 0.00 C ATOM 799 O GLU A 53 38.213 1.892 0.062 1.00 0.00 O ATOM 800 CB GLU A 53 37.045 -1.149 0.265 1.00 0.00 C ATOM 801 CG GLU A 53 36.547 -0.715 1.644 1.00 0.00 C ATOM 802 CD GLU A 53 35.020 -0.609 1.624 1.00 0.00 C ATOM 803 OE1 GLU A 53 34.374 -1.636 1.740 1.00 0.00 O ATOM 804 OE2 GLU A 53 34.525 0.498 1.492 1.00 0.00 O ATOM 0 H GLU A 53 37.162 -1.566 -2.118 1.00 0.00 H new ATOM 0 HA GLU A 53 36.074 0.656 -0.479 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.460 -1.996 -0.095 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.081 -1.482 0.329 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.863 -1.434 2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.986 0.245 1.915 1.00 0.00 H new ATOM 811 N CYS A 54 39.202 0.551 -1.386 1.00 0.00 N ATOM 812 CA CYS A 54 40.458 1.367 -1.379 1.00 0.00 C ATOM 813 C CYS A 54 40.151 2.807 -1.799 1.00 0.00 C ATOM 814 O CYS A 54 40.558 3.754 -1.149 1.00 0.00 O ATOM 815 CB CYS A 54 41.381 0.695 -2.401 1.00 0.00 C ATOM 816 SG CYS A 54 43.095 1.172 -2.074 1.00 0.00 S ATOM 0 H CYS A 54 39.222 -0.267 -1.995 1.00 0.00 H new ATOM 0 HA CYS A 54 40.914 1.412 -0.390 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.277 -0.388 -2.343 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.097 0.989 -3.411 1.00 0.00 H new ATOM 821 N LEU A 55 39.426 2.974 -2.875 1.00 0.00 N ATOM 822 CA LEU A 55 39.078 4.351 -3.340 1.00 0.00 C ATOM 823 C LEU A 55 37.986 4.939 -2.445 1.00 0.00 C ATOM 824 O LEU A 55 38.036 6.092 -2.068 1.00 0.00 O ATOM 825 CB LEU A 55 38.563 4.178 -4.771 1.00 0.00 C ATOM 826 CG LEU A 55 39.696 3.679 -5.669 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.118 3.194 -7.002 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.683 4.819 -5.933 1.00 0.00 C ATOM 0 H LEU A 55 39.060 2.217 -3.452 1.00 0.00 H new ATOM 0 HA LEU A 55 39.931 5.029 -3.300 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.735 3.470 -4.787 1.00 0.00 H new ATOM 0 HB3 LEU A 55 38.179 5.126 -5.147 1.00 0.00 H new ATOM 0 HG LEU A 55 40.212 2.857 -5.173 1.00 0.00 H new ATOM 0 HD11 LEU A 55 39.926 2.839 -7.641 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.415 2.381 -6.820 1.00 0.00 H new ATOM 0 HD13 LEU A 55 38.601 4.017 -7.495 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.489 4.461 -6.573 1.00 0.00 H new ATOM 0 HD22 LEU A 55 40.165 5.641 -6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 55 41.098 5.167 -4.987 1.00 0.00 H new ATOM 840 N ARG A 56 37.007 4.150 -2.087 1.00 0.00 N ATOM 841 CA ARG A 56 35.911 4.662 -1.206 1.00 0.00 C ATOM 842 C ARG A 56 36.466 5.096 0.160 1.00 0.00 C ATOM 843 O ARG A 56 35.792 5.768 0.918 1.00 0.00 O ATOM 844 CB ARG A 56 34.946 3.487 -1.042 1.00 0.00 C ATOM 845 CG ARG A 56 33.612 3.992 -0.488 1.00 0.00 C ATOM 846 CD ARG A 56 32.979 2.903 0.378 1.00 0.00 C ATOM 847 NE ARG A 56 31.640 3.438 0.748 1.00 0.00 N ATOM 848 CZ ARG A 56 30.599 2.652 0.742 1.00 0.00 C ATOM 849 NH1 ARG A 56 30.695 1.438 1.212 1.00 0.00 N ATOM 850 NH2 ARG A 56 29.462 3.079 0.265 1.00 0.00 N ATOM 0 H ARG A 56 36.917 3.173 -2.366 1.00 0.00 H new ATOM 0 HA ARG A 56 35.423 5.536 -1.636 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.790 2.995 -2.002 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.373 2.744 -0.369 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.769 4.896 0.101 1.00 0.00 H new ATOM 0 HG3 ARG A 56 32.942 4.257 -1.306 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.892 1.964 -0.169 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.582 2.702 1.263 1.00 0.00 H new ATOM 0 HE ARG A 56 31.537 4.419 1.006 1.00 0.00 H new ATOM 0 HH11 ARG A 56 31.584 1.104 1.584 1.00 0.00 H new ATOM 0 HH12 ARG A 56 29.881 0.823 1.207 1.00 0.00 H new ATOM 0 HH21 ARG A 56 29.387 4.027 -0.103 1.00 0.00 H new ATOM 0 HH22 ARG A 56 28.648 2.464 0.260 1.00 0.00 H new ATOM 864 N ALA A 57 37.681 4.714 0.487 1.00 0.00 N ATOM 865 CA ALA A 57 38.262 5.099 1.807 1.00 0.00 C ATOM 866 C ALA A 57 39.192 6.314 1.680 1.00 0.00 C ATOM 867 O ALA A 57 38.917 7.369 2.223 1.00 0.00 O ATOM 868 CB ALA A 57 39.050 3.868 2.257 1.00 0.00 C ATOM 0 H ALA A 57 38.292 4.152 -0.106 1.00 0.00 H new ATOM 0 HA ALA A 57 37.488 5.386 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.512 4.065 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.376 3.016 2.344 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.825 3.644 1.524 1.00 0.00 H new ATOM 874 N CYS A 58 40.300 6.167 0.995 1.00 0.00 N ATOM 875 CA CYS A 58 41.261 7.312 0.868 1.00 0.00 C ATOM 876 C CYS A 58 40.695 8.429 -0.023 1.00 0.00 C ATOM 877 O CYS A 58 40.965 9.595 0.205 1.00 0.00 O ATOM 878 CB CYS A 58 42.529 6.721 0.243 1.00 0.00 C ATOM 879 SG CYS A 58 43.622 6.079 1.546 1.00 0.00 S ATOM 0 H CYS A 58 40.581 5.309 0.520 1.00 0.00 H new ATOM 0 HA CYS A 58 41.456 7.766 1.839 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.265 5.921 -0.449 1.00 0.00 H new ATOM 0 HB3 CYS A 58 43.049 7.484 -0.336 1.00 0.00 H new ATOM 884 N LYS A 59 39.930 8.096 -1.037 1.00 0.00 N ATOM 885 CA LYS A 59 39.372 9.161 -1.935 1.00 0.00 C ATOM 886 C LYS A 59 38.207 9.896 -1.266 1.00 0.00 C ATOM 887 O LYS A 59 38.142 11.110 -1.279 1.00 0.00 O ATOM 888 CB LYS A 59 38.879 8.431 -3.184 1.00 0.00 C ATOM 889 CG LYS A 59 38.869 9.396 -4.380 1.00 0.00 C ATOM 890 CD LYS A 59 39.658 8.789 -5.542 1.00 0.00 C ATOM 891 CE LYS A 59 39.193 9.411 -6.860 1.00 0.00 C ATOM 892 NZ LYS A 59 39.947 8.680 -7.915 1.00 0.00 N ATOM 0 H LYS A 59 39.669 7.141 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 59 40.127 9.912 -2.167 1.00 0.00 H new ATOM 0 HB2 LYS A 59 39.525 7.579 -3.397 1.00 0.00 H new ATOM 0 HB3 LYS A 59 37.877 8.037 -3.014 1.00 0.00 H new ATOM 0 HG2 LYS A 59 37.843 9.595 -4.690 1.00 0.00 H new ATOM 0 HG3 LYS A 59 39.306 10.352 -4.091 1.00 0.00 H new ATOM 0 HD2 LYS A 59 40.724 8.965 -5.402 1.00 0.00 H new ATOM 0 HD3 LYS A 59 39.514 7.709 -5.567 1.00 0.00 H new ATOM 0 HE2 LYS A 59 38.117 9.297 -6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 59 39.407 10.479 -6.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 39.682 9.050 -8.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 40.968 8.812 -7.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 39.718 7.667 -7.866 1.00 0.00 H new ATOM 906 N LYS A 60 37.273 9.168 -0.696 1.00 0.00 N ATOM 907 CA LYS A 60 36.090 9.817 -0.036 1.00 0.00 C ATOM 908 C LYS A 60 35.346 10.701 -1.044 1.00 0.00 C ATOM 909 O LYS A 60 35.499 11.909 -1.057 1.00 0.00 O ATOM 910 CB LYS A 60 36.654 10.665 1.111 1.00 0.00 C ATOM 911 CG LYS A 60 35.656 10.676 2.270 1.00 0.00 C ATOM 912 CD LYS A 60 35.590 9.282 2.909 1.00 0.00 C ATOM 913 CE LYS A 60 35.624 9.410 4.435 1.00 0.00 C ATOM 914 NZ LYS A 60 34.297 9.975 4.804 1.00 0.00 N ATOM 0 H LYS A 60 37.279 8.149 -0.659 1.00 0.00 H new ATOM 0 HA LYS A 60 35.380 9.078 0.334 1.00 0.00 H new ATOM 0 HB2 LYS A 60 37.610 10.259 1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 60 36.842 11.682 0.768 1.00 0.00 H new ATOM 0 HG2 LYS A 60 35.956 11.414 3.014 1.00 0.00 H new ATOM 0 HG3 LYS A 60 34.670 10.969 1.910 1.00 0.00 H new ATOM 0 HD2 LYS A 60 34.679 8.772 2.598 1.00 0.00 H new ATOM 0 HD3 LYS A 60 36.428 8.675 2.567 1.00 0.00 H new ATOM 0 HE2 LYS A 60 35.786 8.442 4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 60 36.435 10.063 4.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 34.431 10.868 5.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 33.744 10.153 3.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 33.788 9.299 5.409 1.00 0.00 H new ATOM 928 N GLY A 61 34.543 10.102 -1.888 1.00 0.00 N ATOM 929 CA GLY A 61 33.785 10.895 -2.902 1.00 0.00 C ATOM 930 C GLY A 61 32.292 10.861 -2.571 1.00 0.00 C ATOM 931 O GLY A 61 31.732 9.777 -2.556 1.00 0.00 O ATOM 932 OXT GLY A 61 31.733 11.920 -2.337 1.00 0.00 O ATOM 0 H GLY A 61 34.380 9.096 -1.918 1.00 0.00 H new ATOM 0 HA2 GLY A 61 34.142 11.925 -2.913 1.00 0.00 H new ATOM 0 HA3 GLY A 61 33.956 10.488 -3.898 1.00 0.00 H new TER 936 GLY A 61