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 Single : A 1 GLU N :NH3+ 157:sc= -0.138 (180deg=-1.34) USER MOD Single : A 3 HIS : no HD1:sc= -0.528 X(o=-0.53,f=-0.89) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= -1.01 USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -0.0704 X(o=-0.07,f=-0.0063) 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= -3.16 X(o=-3.2,f=-3.6) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.00614) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -94:sc= 0.0819 USER MOD Single : A 44 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.6!) USER MOD Single : A 46 ASN : amide:sc= -3.11 K(o=-3.1,f=-1.5) USER MOD Single : A 47 ASN : amide:sc= 0.623 K(o=0.62,f=-0.003) USER MOD Single : A 49 THR OG1 : rot -45:sc= 0.883 USER MOD Single : A 50 SER OG : rot 180:sc= -0.375 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.183 K(o=-0.18,f=-2.4!) 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 53.081 19.463 1.040 1.00 0.00 N ATOM 2 CA GLU A 1 52.348 19.765 2.308 1.00 0.00 C ATOM 3 C GLU A 1 51.120 18.860 2.439 1.00 0.00 C ATOM 4 O GLU A 1 50.403 18.632 1.483 1.00 0.00 O ATOM 5 CB GLU A 1 51.922 21.235 2.202 1.00 0.00 C ATOM 6 CG GLU A 1 51.095 21.451 0.929 1.00 0.00 C ATOM 7 CD GLU A 1 50.642 22.911 0.857 1.00 0.00 C ATOM 8 OE1 GLU A 1 51.501 23.774 0.776 1.00 0.00 O ATOM 9 OE2 GLU A 1 49.445 23.141 0.881 1.00 0.00 O ATOM 0 H1 GLU A 1 53.648 20.289 0.761 1.00 0.00 H new ATOM 0 H2 GLU A 1 53.708 18.647 1.188 1.00 0.00 H new ATOM 0 H3 GLU A 1 52.397 19.243 0.288 1.00 0.00 H new ATOM 0 HA GLU A 1 52.970 19.591 3.186 1.00 0.00 H new ATOM 0 HB2 GLU A 1 51.337 21.517 3.078 1.00 0.00 H new ATOM 0 HB3 GLU A 1 52.803 21.877 2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 1 51.688 21.199 0.050 1.00 0.00 H new ATOM 0 HG3 GLU A 1 50.229 20.790 0.929 1.00 0.00 H new ATOM 18 N PHE A 2 50.878 18.342 3.617 1.00 0.00 N ATOM 19 CA PHE A 2 49.699 17.446 3.822 1.00 0.00 C ATOM 20 C PHE A 2 49.154 17.599 5.248 1.00 0.00 C ATOM 21 O PHE A 2 49.850 18.043 6.142 1.00 0.00 O ATOM 22 CB PHE A 2 50.226 16.024 3.588 1.00 0.00 C ATOM 23 CG PHE A 2 51.356 15.717 4.548 1.00 0.00 C ATOM 24 CD1 PHE A 2 52.641 16.213 4.297 1.00 0.00 C ATOM 25 CD2 PHE A 2 51.117 14.935 5.684 1.00 0.00 C ATOM 26 CE1 PHE A 2 53.687 15.928 5.185 1.00 0.00 C ATOM 27 CE2 PHE A 2 52.163 14.649 6.571 1.00 0.00 C ATOM 28 CZ PHE A 2 53.449 15.146 6.321 1.00 0.00 C ATOM 0 H PHE A 2 51.448 18.502 4.448 1.00 0.00 H new ATOM 0 HA PHE A 2 48.878 17.686 3.146 1.00 0.00 H new ATOM 0 HB2 PHE A 2 49.419 15.303 3.723 1.00 0.00 H new ATOM 0 HB3 PHE A 2 50.575 15.923 2.560 1.00 0.00 H new ATOM 0 HD1 PHE A 2 52.826 16.815 3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 2 50.126 14.552 5.877 1.00 0.00 H new ATOM 0 HE1 PHE A 2 54.678 16.312 4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 2 51.978 14.046 7.447 1.00 0.00 H new ATOM 0 HZ PHE A 2 54.256 14.926 7.004 1.00 0.00 H new ATOM 38 N HIS A 3 47.916 17.229 5.460 1.00 0.00 N ATOM 39 CA HIS A 3 47.315 17.345 6.826 1.00 0.00 C ATOM 40 C HIS A 3 46.062 16.470 6.932 1.00 0.00 C ATOM 41 O HIS A 3 45.013 16.920 7.356 1.00 0.00 O ATOM 42 CB HIS A 3 46.961 18.829 6.994 1.00 0.00 C ATOM 43 CG HIS A 3 46.022 19.271 5.900 1.00 0.00 C ATOM 44 ND1 HIS A 3 44.659 19.410 6.108 1.00 0.00 N ATOM 45 CD2 HIS A 3 46.238 19.614 4.588 1.00 0.00 C ATOM 46 CE1 HIS A 3 44.112 19.821 4.949 1.00 0.00 C ATOM 47 NE2 HIS A 3 45.031 19.961 3.989 1.00 0.00 N ATOM 0 H HIS A 3 47.294 16.851 4.746 1.00 0.00 H new ATOM 0 HA HIS A 3 48.000 17.008 7.604 1.00 0.00 H new ATOM 0 HB2 HIS A 3 46.498 18.991 7.967 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.869 19.431 6.968 1.00 0.00 H new ATOM 0 HD2 HIS A 3 47.199 19.614 4.096 1.00 0.00 H new ATOM 0 HE1 HIS A 3 43.058 20.014 4.812 1.00 0.00 H new ATOM 0 HE2 HIS A 3 44.880 20.258 3.025 1.00 0.00 H new ATOM 55 N GLY A 4 46.167 15.222 6.551 1.00 0.00 N ATOM 56 CA GLY A 4 44.992 14.305 6.627 1.00 0.00 C ATOM 57 C GLY A 4 45.326 13.120 7.551 1.00 0.00 C ATOM 58 O GLY A 4 46.186 13.243 8.400 1.00 0.00 O ATOM 0 H GLY A 4 47.021 14.798 6.189 1.00 0.00 H new ATOM 0 HA2 GLY A 4 44.122 14.842 7.006 1.00 0.00 H new ATOM 0 HA3 GLY A 4 44.735 13.943 5.632 1.00 0.00 H new ATOM 62 N PRO A 5 44.646 11.996 7.370 1.00 0.00 N ATOM 63 CA PRO A 5 44.920 10.814 8.224 1.00 0.00 C ATOM 64 C PRO A 5 46.377 10.363 8.062 1.00 0.00 C ATOM 65 O PRO A 5 46.972 10.529 7.014 1.00 0.00 O ATOM 66 CB PRO A 5 43.946 9.764 7.677 1.00 0.00 C ATOM 67 CG PRO A 5 43.143 10.385 6.518 1.00 0.00 C ATOM 68 CD PRO A 5 43.590 11.840 6.331 1.00 0.00 C ATOM 0 HA PRO A 5 44.787 11.001 9.289 1.00 0.00 H new ATOM 0 HB2 PRO A 5 44.493 8.887 7.330 1.00 0.00 H new ATOM 0 HB3 PRO A 5 43.272 9.428 8.465 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.306 9.819 5.601 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.075 10.343 6.733 1.00 0.00 H new ATOM 0 HD2 PRO A 5 43.979 12.018 5.329 1.00 0.00 H new ATOM 0 HD3 PRO A 5 42.767 12.539 6.482 1.00 0.00 H new ATOM 76 N SER A 6 46.954 9.805 9.097 1.00 0.00 N ATOM 77 CA SER A 6 48.375 9.349 9.017 1.00 0.00 C ATOM 78 C SER A 6 48.441 7.847 8.729 1.00 0.00 C ATOM 79 O SER A 6 49.305 7.149 9.229 1.00 0.00 O ATOM 80 CB SER A 6 48.964 9.656 10.392 1.00 0.00 C ATOM 81 OG SER A 6 49.422 11.001 10.418 1.00 0.00 O ATOM 0 H SER A 6 46.500 9.645 9.996 1.00 0.00 H new ATOM 0 HA SER A 6 48.921 9.846 8.215 1.00 0.00 H new ATOM 0 HB2 SER A 6 48.212 9.501 11.165 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.788 8.975 10.608 1.00 0.00 H new ATOM 0 HG SER A 6 49.799 11.201 11.300 1.00 0.00 H new ATOM 87 N TRP A 7 47.538 7.346 7.926 1.00 0.00 N ATOM 88 CA TRP A 7 47.545 5.887 7.598 1.00 0.00 C ATOM 89 C TRP A 7 46.847 5.630 6.259 1.00 0.00 C ATOM 90 O TRP A 7 46.368 4.541 6.002 1.00 0.00 O ATOM 91 CB TRP A 7 46.791 5.202 8.744 1.00 0.00 C ATOM 92 CG TRP A 7 45.415 5.779 8.889 1.00 0.00 C ATOM 93 CD1 TRP A 7 45.105 6.869 9.630 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.163 5.317 8.303 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.745 7.101 9.541 1.00 0.00 N ATOM 96 CE2 TRP A 7 43.121 6.172 8.733 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.833 4.248 7.450 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.799 5.975 8.332 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.504 4.047 7.043 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.489 4.908 7.485 1.00 0.00 C ATOM 0 H TRP A 7 46.794 7.885 7.482 1.00 0.00 H new ATOM 0 HA TRP A 7 48.560 5.502 7.499 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.724 4.131 8.553 1.00 0.00 H new ATOM 0 HB3 TRP A 7 47.343 5.326 9.675 1.00 0.00 H new ATOM 0 HD1 TRP A 7 45.807 7.461 10.199 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.262 7.865 10.014 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.607 3.578 7.106 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 41.022 6.642 8.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.262 3.225 6.386 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.468 4.746 7.171 1.00 0.00 H new ATOM 111 N CYS A 8 46.795 6.619 5.403 1.00 0.00 N ATOM 112 CA CYS A 8 46.139 6.435 4.076 1.00 0.00 C ATOM 113 C CYS A 8 47.166 6.634 2.958 1.00 0.00 C ATOM 114 O CYS A 8 47.103 5.991 1.926 1.00 0.00 O ATOM 115 CB CYS A 8 45.056 7.513 4.013 1.00 0.00 C ATOM 116 SG CYS A 8 43.572 6.836 3.225 1.00 0.00 S ATOM 0 H CYS A 8 47.181 7.549 5.568 1.00 0.00 H new ATOM 0 HA CYS A 8 45.720 5.436 3.953 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.819 7.864 5.017 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.418 8.374 3.451 1.00 0.00 H new ATOM 121 N LEU A 9 48.110 7.519 3.160 1.00 0.00 N ATOM 122 CA LEU A 9 49.149 7.765 2.118 1.00 0.00 C ATOM 123 C LEU A 9 50.460 7.045 2.475 1.00 0.00 C ATOM 124 O LEU A 9 51.479 7.268 1.850 1.00 0.00 O ATOM 125 CB LEU A 9 49.358 9.280 2.123 1.00 0.00 C ATOM 126 CG LEU A 9 48.049 9.979 1.753 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.172 11.476 2.044 1.00 0.00 C ATOM 128 CD2 LEU A 9 47.758 9.773 0.265 1.00 0.00 C ATOM 0 H LEU A 9 48.205 8.083 4.005 1.00 0.00 H new ATOM 0 HA LEU A 9 48.843 7.391 1.141 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.692 9.608 3.107 1.00 0.00 H new ATOM 0 HB3 LEU A 9 50.140 9.552 1.414 1.00 0.00 H new ATOM 0 HG LEU A 9 47.235 9.557 2.342 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.240 11.976 1.781 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.377 11.625 3.104 1.00 0.00 H new ATOM 0 HD13 LEU A 9 48.987 11.895 1.455 1.00 0.00 H new ATOM 0 HD21 LEU A 9 46.825 10.272 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 9 48.572 10.193 -0.326 1.00 0.00 H new ATOM 0 HD23 LEU A 9 47.670 8.707 0.056 1.00 0.00 H new ATOM 140 N THR A 10 50.446 6.189 3.473 1.00 0.00 N ATOM 141 CA THR A 10 51.696 5.463 3.860 1.00 0.00 C ATOM 142 C THR A 10 52.168 4.568 2.694 1.00 0.00 C ATOM 143 O THR A 10 51.349 4.103 1.928 1.00 0.00 O ATOM 144 CB THR A 10 51.317 4.610 5.077 1.00 0.00 C ATOM 145 OG1 THR A 10 52.441 3.841 5.481 1.00 0.00 O ATOM 146 CG2 THR A 10 50.157 3.670 4.728 1.00 0.00 C ATOM 0 H THR A 10 49.624 5.964 4.033 1.00 0.00 H new ATOM 0 HA THR A 10 52.512 6.147 4.092 1.00 0.00 H new ATOM 0 HB THR A 10 51.007 5.269 5.888 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.202 3.296 6.260 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.899 3.071 5.601 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.291 4.258 4.423 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.455 3.012 3.912 1.00 0.00 H new ATOM 154 N PRO A 11 53.472 4.345 2.578 1.00 0.00 N ATOM 155 CA PRO A 11 53.986 3.496 1.473 1.00 0.00 C ATOM 156 C PRO A 11 53.424 2.074 1.582 1.00 0.00 C ATOM 157 O PRO A 11 52.885 1.687 2.602 1.00 0.00 O ATOM 158 CB PRO A 11 55.502 3.513 1.704 1.00 0.00 C ATOM 159 CG PRO A 11 55.808 4.375 2.942 1.00 0.00 C ATOM 160 CD PRO A 11 54.488 4.910 3.512 1.00 0.00 C ATOM 0 HA PRO A 11 53.703 3.850 0.482 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.872 2.498 1.850 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.012 3.916 0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.331 3.784 3.693 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.465 5.202 2.673 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.325 4.576 4.537 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.465 6.000 3.524 1.00 0.00 H new ATOM 168 N ALA A 12 53.548 1.296 0.535 1.00 0.00 N ATOM 169 CA ALA A 12 53.023 -0.105 0.571 1.00 0.00 C ATOM 170 C ALA A 12 53.764 -0.922 1.635 1.00 0.00 C ATOM 171 O ALA A 12 54.845 -1.428 1.402 1.00 0.00 O ATOM 172 CB ALA A 12 53.289 -0.674 -0.827 1.00 0.00 C ATOM 0 H ALA A 12 53.990 1.570 -0.343 1.00 0.00 H new ATOM 0 HA ALA A 12 51.964 -0.138 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.929 -1.702 -0.876 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.767 -0.071 -1.570 1.00 0.00 H new ATOM 0 HB3 ALA A 12 54.360 -0.654 -1.030 1.00 0.00 H new ATOM 178 N ASP A 13 53.185 -1.049 2.802 1.00 0.00 N ATOM 179 CA ASP A 13 53.845 -1.831 3.896 1.00 0.00 C ATOM 180 C ASP A 13 53.889 -3.321 3.537 1.00 0.00 C ATOM 181 O ASP A 13 52.879 -3.998 3.528 1.00 0.00 O ATOM 182 CB ASP A 13 52.979 -1.599 5.144 1.00 0.00 C ATOM 183 CG ASP A 13 51.536 -2.035 4.871 1.00 0.00 C ATOM 184 OD1 ASP A 13 50.804 -1.258 4.281 1.00 0.00 O ATOM 185 OD2 ASP A 13 51.188 -3.140 5.255 1.00 0.00 O ATOM 0 H ASP A 13 52.281 -0.644 3.047 1.00 0.00 H new ATOM 0 HA ASP A 13 54.876 -1.515 4.057 1.00 0.00 H new ATOM 0 HB2 ASP A 13 53.384 -2.160 5.986 1.00 0.00 H new ATOM 0 HB3 ASP A 13 53.003 -0.545 5.422 1.00 0.00 H new ATOM 190 N ARG A 14 55.057 -3.836 3.244 1.00 0.00 N ATOM 191 CA ARG A 14 55.177 -5.283 2.887 1.00 0.00 C ATOM 192 C ARG A 14 56.579 -5.804 3.235 1.00 0.00 C ATOM 193 O ARG A 14 57.390 -6.047 2.359 1.00 0.00 O ATOM 194 CB ARG A 14 54.936 -5.340 1.372 1.00 0.00 C ATOM 195 CG ARG A 14 55.972 -4.475 0.635 1.00 0.00 C ATOM 196 CD ARG A 14 56.657 -5.300 -0.459 1.00 0.00 C ATOM 197 NE ARG A 14 57.850 -4.502 -0.853 1.00 0.00 N ATOM 198 CZ ARG A 14 58.967 -4.619 -0.186 1.00 0.00 C ATOM 199 NH1 ARG A 14 59.710 -5.681 -0.335 1.00 0.00 N ATOM 200 NH2 ARG A 14 59.339 -3.673 0.631 1.00 0.00 N ATOM 0 H ARG A 14 55.934 -3.316 3.237 1.00 0.00 H new ATOM 0 HA ARG A 14 54.468 -5.904 3.434 1.00 0.00 H new ATOM 0 HB2 ARG A 14 55.000 -6.371 1.025 1.00 0.00 H new ATOM 0 HB3 ARG A 14 53.930 -4.989 1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 14 55.485 -3.605 0.195 1.00 0.00 H new ATOM 0 HG3 ARG A 14 56.715 -4.102 1.340 1.00 0.00 H new ATOM 0 HD2 ARG A 14 56.945 -6.284 -0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 14 55.992 -5.460 -1.307 1.00 0.00 H new ATOM 0 HE ARG A 14 57.795 -3.862 -1.646 1.00 0.00 H new ATOM 0 HH11 ARG A 14 59.419 -6.422 -0.973 1.00 0.00 H new ATOM 0 HH12 ARG A 14 60.582 -5.771 0.187 1.00 0.00 H new ATOM 0 HH21 ARG A 14 58.758 -2.843 0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 14 60.211 -3.763 1.152 1.00 0.00 H new ATOM 214 N GLY A 15 56.877 -5.972 4.504 1.00 0.00 N ATOM 215 CA GLY A 15 58.232 -6.469 4.889 1.00 0.00 C ATOM 216 C GLY A 15 58.177 -7.189 6.240 1.00 0.00 C ATOM 217 O GLY A 15 57.133 -7.624 6.688 1.00 0.00 O ATOM 0 H GLY A 15 56.243 -5.787 5.282 1.00 0.00 H new ATOM 0 HA2 GLY A 15 58.607 -7.148 4.124 1.00 0.00 H new ATOM 0 HA3 GLY A 15 58.930 -5.634 4.944 1.00 0.00 H new ATOM 221 N LEU A 16 59.317 -7.317 6.881 1.00 0.00 N ATOM 222 CA LEU A 16 59.415 -8.003 8.217 1.00 0.00 C ATOM 223 C LEU A 16 58.972 -9.480 8.160 1.00 0.00 C ATOM 224 O LEU A 16 58.872 -10.131 9.181 1.00 0.00 O ATOM 225 CB LEU A 16 58.539 -7.188 9.179 1.00 0.00 C ATOM 226 CG LEU A 16 59.294 -5.922 9.588 1.00 0.00 C ATOM 227 CD1 LEU A 16 58.309 -4.898 10.153 1.00 0.00 C ATOM 228 CD2 LEU A 16 60.333 -6.271 10.659 1.00 0.00 C ATOM 0 H LEU A 16 60.207 -6.966 6.526 1.00 0.00 H new ATOM 0 HA LEU A 16 60.452 -8.036 8.552 1.00 0.00 H new ATOM 0 HB2 LEU A 16 57.596 -6.926 8.699 1.00 0.00 H new ATOM 0 HB3 LEU A 16 58.294 -7.782 10.060 1.00 0.00 H new ATOM 0 HG LEU A 16 59.795 -5.502 8.716 1.00 0.00 H new ATOM 0 HD11 LEU A 16 58.848 -3.997 10.444 1.00 0.00 H new ATOM 0 HD12 LEU A 16 57.568 -4.648 9.394 1.00 0.00 H new ATOM 0 HD13 LEU A 16 57.808 -5.318 11.025 1.00 0.00 H new ATOM 0 HD21 LEU A 16 60.871 -5.369 10.951 1.00 0.00 H new ATOM 0 HD22 LEU A 16 59.831 -6.692 11.530 1.00 0.00 H new ATOM 0 HD23 LEU A 16 61.037 -7.001 10.259 1.00 0.00 H new ATOM 240 N CYS A 17 58.759 -10.026 6.984 1.00 0.00 N ATOM 241 CA CYS A 17 58.378 -11.470 6.873 1.00 0.00 C ATOM 242 C CYS A 17 58.340 -11.872 5.400 1.00 0.00 C ATOM 243 O CYS A 17 58.277 -11.033 4.521 1.00 0.00 O ATOM 244 CB CYS A 17 56.992 -11.628 7.527 1.00 0.00 C ATOM 245 SG CYS A 17 57.110 -12.879 8.849 1.00 0.00 S ATOM 0 H CYS A 17 58.833 -9.531 6.095 1.00 0.00 H new ATOM 0 HA CYS A 17 59.100 -12.115 7.375 1.00 0.00 H new ATOM 0 HB2 CYS A 17 56.657 -10.675 7.937 1.00 0.00 H new ATOM 0 HB3 CYS A 17 56.255 -11.932 6.783 1.00 0.00 H new ATOM 250 N ARG A 18 58.401 -13.147 5.128 1.00 0.00 N ATOM 251 CA ARG A 18 58.394 -13.616 3.715 1.00 0.00 C ATOM 252 C ARG A 18 57.007 -14.131 3.308 1.00 0.00 C ATOM 253 O ARG A 18 56.869 -15.239 2.826 1.00 0.00 O ATOM 254 CB ARG A 18 59.428 -14.747 3.674 1.00 0.00 C ATOM 255 CG ARG A 18 59.015 -15.881 4.629 1.00 0.00 C ATOM 256 CD ARG A 18 59.037 -17.215 3.883 1.00 0.00 C ATOM 257 NE ARG A 18 60.476 -17.464 3.601 1.00 0.00 N ATOM 258 CZ ARG A 18 60.823 -18.126 2.534 1.00 0.00 C ATOM 259 NH1 ARG A 18 60.691 -17.580 1.358 1.00 0.00 N ATOM 260 NH2 ARG A 18 61.301 -19.334 2.644 1.00 0.00 N ATOM 0 H ARG A 18 58.456 -13.887 5.828 1.00 0.00 H new ATOM 0 HA ARG A 18 58.632 -12.812 3.018 1.00 0.00 H new ATOM 0 HB2 ARG A 18 59.516 -15.132 2.658 1.00 0.00 H new ATOM 0 HB3 ARG A 18 60.408 -14.363 3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 18 59.694 -15.918 5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 18 58.017 -15.691 5.025 1.00 0.00 H new ATOM 0 HD2 ARG A 18 58.607 -18.014 4.487 1.00 0.00 H new ATOM 0 HD3 ARG A 18 58.456 -17.164 2.962 1.00 0.00 H new ATOM 0 HE ARG A 18 61.190 -17.117 4.242 1.00 0.00 H new ATOM 0 HH11 ARG A 18 60.316 -16.635 1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 18 60.962 -18.098 0.522 1.00 0.00 H new ATOM 0 HH21 ARG A 18 61.403 -19.760 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 18 61.573 -19.853 1.809 1.00 0.00 H new ATOM 274 N ALA A 19 55.983 -13.332 3.484 1.00 0.00 N ATOM 275 CA ALA A 19 54.610 -13.772 3.088 1.00 0.00 C ATOM 276 C ALA A 19 54.198 -13.055 1.800 1.00 0.00 C ATOM 277 O ALA A 19 54.078 -11.844 1.766 1.00 0.00 O ATOM 278 CB ALA A 19 53.696 -13.371 4.245 1.00 0.00 C ATOM 0 H ALA A 19 56.039 -12.395 3.884 1.00 0.00 H new ATOM 0 HA ALA A 19 54.557 -14.844 2.899 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.671 -13.666 4.018 1.00 0.00 H new ATOM 0 HB2 ALA A 19 54.024 -13.870 5.157 1.00 0.00 H new ATOM 0 HB3 ALA A 19 53.740 -12.291 4.386 1.00 0.00 H new ATOM 284 N ASN A 20 53.995 -13.793 0.741 1.00 0.00 N ATOM 285 CA ASN A 20 53.609 -13.164 -0.559 1.00 0.00 C ATOM 286 C ASN A 20 52.084 -13.047 -0.666 1.00 0.00 C ATOM 287 O ASN A 20 51.444 -13.776 -1.399 1.00 0.00 O ATOM 288 CB ASN A 20 54.161 -14.103 -1.636 1.00 0.00 C ATOM 289 CG ASN A 20 55.684 -14.203 -1.499 1.00 0.00 C ATOM 290 OD1 ASN A 20 56.211 -15.249 -1.175 1.00 0.00 O ATOM 291 ND2 ASN A 20 56.418 -13.151 -1.735 1.00 0.00 N ATOM 0 H ASN A 20 54.080 -14.809 0.719 1.00 0.00 H new ATOM 0 HA ASN A 20 54.006 -12.154 -0.661 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.711 -15.091 -1.537 1.00 0.00 H new ATOM 0 HB3 ASN A 20 53.898 -13.731 -2.626 1.00 0.00 H new ATOM 0 HD21 ASN A 20 57.433 -13.207 -1.648 1.00 0.00 H new ATOM 0 HD22 ASN A 20 55.977 -12.272 -2.007 1.00 0.00 H new ATOM 298 N GLU A 21 51.507 -12.124 0.059 1.00 0.00 N ATOM 299 CA GLU A 21 50.023 -11.933 0.016 1.00 0.00 C ATOM 300 C GLU A 21 49.641 -11.109 -1.223 1.00 0.00 C ATOM 301 O GLU A 21 50.346 -11.112 -2.214 1.00 0.00 O ATOM 302 CB GLU A 21 49.686 -11.170 1.306 1.00 0.00 C ATOM 303 CG GLU A 21 50.149 -11.975 2.528 1.00 0.00 C ATOM 304 CD GLU A 21 48.964 -12.739 3.121 1.00 0.00 C ATOM 305 OE1 GLU A 21 47.994 -12.096 3.487 1.00 0.00 O ATOM 306 OE2 GLU A 21 49.047 -13.953 3.198 1.00 0.00 O ATOM 0 H GLU A 21 52.003 -11.489 0.684 1.00 0.00 H new ATOM 0 HA GLU A 21 49.478 -12.875 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 21 50.171 -10.194 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.612 -10.992 1.363 1.00 0.00 H new ATOM 0 HG2 GLU A 21 50.936 -12.672 2.240 1.00 0.00 H new ATOM 0 HG3 GLU A 21 50.574 -11.306 3.276 1.00 0.00 H new ATOM 313 N ASN A 22 48.534 -10.402 -1.176 1.00 0.00 N ATOM 314 CA ASN A 22 48.113 -9.579 -2.352 1.00 0.00 C ATOM 315 C ASN A 22 47.112 -8.497 -1.921 1.00 0.00 C ATOM 316 O ASN A 22 45.954 -8.525 -2.297 1.00 0.00 O ATOM 317 CB ASN A 22 47.451 -10.568 -3.314 1.00 0.00 C ATOM 318 CG ASN A 22 47.238 -9.893 -4.670 1.00 0.00 C ATOM 319 OD1 ASN A 22 46.217 -9.274 -4.900 1.00 0.00 O ATOM 320 ND2 ASN A 22 48.164 -9.984 -5.584 1.00 0.00 N ATOM 0 H ASN A 22 47.906 -10.361 -0.373 1.00 0.00 H new ATOM 0 HA ASN A 22 48.956 -9.063 -2.812 1.00 0.00 H new ATOM 0 HB2 ASN A 22 48.076 -11.453 -3.430 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.496 -10.903 -2.908 1.00 0.00 H new ATOM 0 HD21 ASN A 22 48.031 -9.536 -6.491 1.00 0.00 H new ATOM 0 HD22 ASN A 22 49.021 -10.503 -5.392 1.00 0.00 H new ATOM 327 N ARG A 23 47.554 -7.543 -1.140 1.00 0.00 N ATOM 328 CA ARG A 23 46.634 -6.452 -0.683 1.00 0.00 C ATOM 329 C ARG A 23 46.673 -5.272 -1.663 1.00 0.00 C ATOM 330 O ARG A 23 47.624 -5.104 -2.404 1.00 0.00 O ATOM 331 CB ARG A 23 47.161 -6.027 0.686 1.00 0.00 C ATOM 332 CG ARG A 23 46.851 -7.117 1.713 1.00 0.00 C ATOM 333 CD ARG A 23 45.390 -7.003 2.153 1.00 0.00 C ATOM 334 NE ARG A 23 45.132 -8.232 2.956 1.00 0.00 N ATOM 335 CZ ARG A 23 44.439 -8.158 4.060 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.322 -7.484 4.084 1.00 0.00 N ATOM 337 NH2 ARG A 23 44.864 -8.757 5.138 1.00 0.00 N ATOM 0 H ARG A 23 48.512 -7.471 -0.798 1.00 0.00 H new ATOM 0 HA ARG A 23 45.598 -6.788 -0.633 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.236 -5.855 0.636 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.701 -5.086 0.988 1.00 0.00 H new ATOM 0 HG2 ARG A 23 47.036 -8.101 1.282 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.510 -7.017 2.575 1.00 0.00 H new ATOM 0 HD2 ARG A 23 45.225 -6.103 2.745 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.722 -6.946 1.293 1.00 0.00 H new ATOM 0 HE ARG A 23 45.497 -9.131 2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 23 42.991 -7.015 3.241 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.780 -7.426 4.946 1.00 0.00 H new ATOM 0 HH21 ARG A 23 45.738 -9.283 5.118 1.00 0.00 H new ATOM 0 HH22 ARG A 23 44.323 -8.699 6.001 1.00 0.00 H new ATOM 351 N PHE A 24 45.643 -4.462 -1.677 1.00 0.00 N ATOM 352 CA PHE A 24 45.611 -3.294 -2.610 1.00 0.00 C ATOM 353 C PHE A 24 46.185 -2.038 -1.944 1.00 0.00 C ATOM 354 O PHE A 24 45.583 -1.467 -1.055 1.00 0.00 O ATOM 355 CB PHE A 24 44.133 -3.098 -2.945 1.00 0.00 C ATOM 356 CG PHE A 24 43.748 -4.033 -4.066 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.636 -5.407 -3.821 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.503 -3.527 -5.348 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.281 -6.275 -4.859 1.00 0.00 C ATOM 360 CE2 PHE A 24 43.149 -4.397 -6.387 1.00 0.00 C ATOM 361 CZ PHE A 24 43.037 -5.771 -6.142 1.00 0.00 C ATOM 0 H PHE A 24 44.821 -4.560 -1.081 1.00 0.00 H new ATOM 0 HA PHE A 24 46.216 -3.470 -3.499 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.520 -3.294 -2.066 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.949 -2.065 -3.238 1.00 0.00 H new ATOM 0 HD1 PHE A 24 43.824 -5.796 -2.831 1.00 0.00 H new ATOM 0 HD2 PHE A 24 43.587 -2.467 -5.536 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.195 -7.335 -4.670 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.962 -4.008 -7.377 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.762 -6.442 -6.943 1.00 0.00 H new ATOM 371 N TYR A 25 47.341 -1.600 -2.379 1.00 0.00 N ATOM 372 CA TYR A 25 47.961 -0.372 -1.789 1.00 0.00 C ATOM 373 C TYR A 25 47.506 0.869 -2.580 1.00 0.00 C ATOM 374 O TYR A 25 47.629 0.923 -3.788 1.00 0.00 O ATOM 375 CB TYR A 25 49.483 -0.620 -1.910 1.00 0.00 C ATOM 376 CG TYR A 25 50.271 0.676 -1.870 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.008 1.631 -0.881 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.261 0.915 -2.828 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.738 2.825 -0.852 1.00 0.00 C ATOM 380 CE2 TYR A 25 51.990 2.108 -2.800 1.00 0.00 C ATOM 381 CZ TYR A 25 51.730 3.064 -1.811 1.00 0.00 C ATOM 382 OH TYR A 25 52.449 4.241 -1.784 1.00 0.00 O ATOM 0 H TYR A 25 47.884 -2.042 -3.121 1.00 0.00 H new ATOM 0 HA TYR A 25 47.673 -0.188 -0.754 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.811 -1.270 -1.099 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.693 -1.144 -2.842 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.243 1.447 -0.141 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.463 0.177 -3.591 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.536 3.563 -0.089 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.754 2.292 -3.541 1.00 0.00 H new ATOM 0 HH TYR A 25 53.098 4.245 -2.519 1.00 0.00 H new ATOM 392 N TYR A 26 46.994 1.863 -1.898 1.00 0.00 N ATOM 393 CA TYR A 26 46.538 3.106 -2.594 1.00 0.00 C ATOM 394 C TYR A 26 47.744 3.996 -2.925 1.00 0.00 C ATOM 395 O TYR A 26 48.298 4.642 -2.055 1.00 0.00 O ATOM 396 CB TYR A 26 45.616 3.808 -1.592 1.00 0.00 C ATOM 397 CG TYR A 26 45.062 5.075 -2.206 1.00 0.00 C ATOM 398 CD1 TYR A 26 45.772 6.276 -2.085 1.00 0.00 C ATOM 399 CD2 TYR A 26 43.844 5.048 -2.895 1.00 0.00 C ATOM 400 CE1 TYR A 26 45.262 7.450 -2.654 1.00 0.00 C ATOM 401 CE2 TYR A 26 43.334 6.222 -3.463 1.00 0.00 C ATOM 402 CZ TYR A 26 44.043 7.422 -3.342 1.00 0.00 C ATOM 403 OH TYR A 26 43.539 8.580 -3.901 1.00 0.00 O ATOM 0 H TYR A 26 46.872 1.867 -0.885 1.00 0.00 H new ATOM 0 HA TYR A 26 46.030 2.891 -3.534 1.00 0.00 H new ATOM 0 HB2 TYR A 26 44.800 3.144 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.166 4.045 -0.681 1.00 0.00 H new ATOM 0 HD1 TYR A 26 46.712 6.297 -1.553 1.00 0.00 H new ATOM 0 HD2 TYR A 26 43.297 4.121 -2.989 1.00 0.00 H new ATOM 0 HE1 TYR A 26 45.809 8.377 -2.562 1.00 0.00 H new ATOM 0 HE2 TYR A 26 42.394 6.201 -3.994 1.00 0.00 H new ATOM 0 HH TYR A 26 42.686 8.386 -4.343 1.00 0.00 H new ATOM 413 N ASN A 27 48.148 4.038 -4.172 1.00 0.00 N ATOM 414 CA ASN A 27 49.314 4.895 -4.549 1.00 0.00 C ATOM 415 C ASN A 27 48.933 6.371 -4.409 1.00 0.00 C ATOM 416 O ASN A 27 47.959 6.826 -4.980 1.00 0.00 O ATOM 417 CB ASN A 27 49.621 4.552 -6.013 1.00 0.00 C ATOM 418 CG ASN A 27 51.115 4.261 -6.175 1.00 0.00 C ATOM 419 OD1 ASN A 27 51.925 5.168 -6.195 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.518 3.026 -6.294 1.00 0.00 N ATOM 0 H ASN A 27 47.723 3.519 -4.940 1.00 0.00 H new ATOM 0 HA ASN A 27 50.180 4.720 -3.911 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.037 3.686 -6.323 1.00 0.00 H new ATOM 0 HB3 ASN A 27 49.330 5.381 -6.659 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.511 2.822 -6.404 1.00 0.00 H new ATOM 0 HD22 ASN A 27 50.840 2.264 -6.277 1.00 0.00 H new ATOM 427 N SER A 28 49.694 7.118 -3.654 1.00 0.00 N ATOM 428 CA SER A 28 49.383 8.568 -3.469 1.00 0.00 C ATOM 429 C SER A 28 49.777 9.367 -4.718 1.00 0.00 C ATOM 430 O SER A 28 49.312 10.472 -4.925 1.00 0.00 O ATOM 431 CB SER A 28 50.216 9.005 -2.264 1.00 0.00 C ATOM 432 OG SER A 28 51.590 9.030 -2.626 1.00 0.00 O ATOM 0 H SER A 28 50.520 6.787 -3.156 1.00 0.00 H new ATOM 0 HA SER A 28 48.318 8.740 -3.311 1.00 0.00 H new ATOM 0 HB2 SER A 28 49.899 9.992 -1.927 1.00 0.00 H new ATOM 0 HB3 SER A 28 50.060 8.319 -1.432 1.00 0.00 H new ATOM 0 HG SER A 28 52.126 9.312 -1.856 1.00 0.00 H new ATOM 438 N VAL A 29 50.628 8.818 -5.549 1.00 0.00 N ATOM 439 CA VAL A 29 51.053 9.543 -6.785 1.00 0.00 C ATOM 440 C VAL A 29 50.163 9.140 -7.961 1.00 0.00 C ATOM 441 O VAL A 29 49.902 9.925 -8.854 1.00 0.00 O ATOM 442 CB VAL A 29 52.491 9.086 -7.046 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.051 9.826 -8.263 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.369 9.390 -5.828 1.00 0.00 C ATOM 0 H VAL A 29 51.047 7.897 -5.424 1.00 0.00 H new ATOM 0 HA VAL A 29 50.978 10.624 -6.669 1.00 0.00 H new ATOM 0 HB VAL A 29 52.491 8.012 -7.233 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.075 9.500 -8.448 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.437 9.607 -9.136 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.041 10.899 -8.073 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.390 9.061 -6.024 1.00 0.00 H new ATOM 0 HG22 VAL A 29 53.364 10.463 -5.635 1.00 0.00 H new ATOM 0 HG23 VAL A 29 52.979 8.863 -4.957 1.00 0.00 H new ATOM 454 N ILE A 30 49.713 7.915 -7.970 1.00 0.00 N ATOM 455 CA ILE A 30 48.852 7.435 -9.094 1.00 0.00 C ATOM 456 C ILE A 30 47.382 7.674 -8.771 1.00 0.00 C ATOM 457 O ILE A 30 46.622 8.156 -9.592 1.00 0.00 O ATOM 458 CB ILE A 30 49.102 5.923 -9.233 1.00 0.00 C ATOM 459 CG1 ILE A 30 50.603 5.595 -9.134 1.00 0.00 C ATOM 460 CG2 ILE A 30 48.576 5.467 -10.593 1.00 0.00 C ATOM 461 CD1 ILE A 30 50.812 4.080 -9.228 1.00 0.00 C ATOM 0 H ILE A 30 49.904 7.222 -7.246 1.00 0.00 H new ATOM 0 HA ILE A 30 49.091 7.967 -10.015 1.00 0.00 H new ATOM 0 HB ILE A 30 48.587 5.405 -8.424 1.00 0.00 H new ATOM 0 HG12 ILE A 30 51.147 6.097 -9.934 1.00 0.00 H new ATOM 0 HG13 ILE A 30 51.005 5.969 -8.192 1.00 0.00 H new ATOM 0 HG21 ILE A 30 48.745 4.396 -10.708 1.00 0.00 H new ATOM 0 HG22 ILE A 30 47.508 5.675 -10.658 1.00 0.00 H new ATOM 0 HG23 ILE A 30 49.099 6.004 -11.384 1.00 0.00 H new ATOM 0 HD11 ILE A 30 51.876 3.854 -9.157 1.00 0.00 H new ATOM 0 HD12 ILE A 30 50.282 3.588 -8.412 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.427 3.718 -10.181 1.00 0.00 H new ATOM 473 N GLY A 31 46.975 7.315 -7.584 1.00 0.00 N ATOM 474 CA GLY A 31 45.550 7.486 -7.194 1.00 0.00 C ATOM 475 C GLY A 31 44.853 6.122 -7.249 1.00 0.00 C ATOM 476 O GLY A 31 43.879 5.890 -6.557 1.00 0.00 O ATOM 0 H GLY A 31 47.573 6.908 -6.865 1.00 0.00 H new ATOM 0 HA2 GLY A 31 45.482 7.904 -6.190 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.057 8.189 -7.866 1.00 0.00 H new ATOM 480 N LYS A 32 45.349 5.215 -8.063 1.00 0.00 N ATOM 481 CA LYS A 32 44.716 3.862 -8.154 1.00 0.00 C ATOM 482 C LYS A 32 45.362 2.908 -7.138 1.00 0.00 C ATOM 483 O LYS A 32 46.471 3.129 -6.688 1.00 0.00 O ATOM 484 CB LYS A 32 44.957 3.393 -9.598 1.00 0.00 C ATOM 485 CG LYS A 32 46.462 3.217 -9.870 1.00 0.00 C ATOM 486 CD LYS A 32 46.777 1.733 -10.098 1.00 0.00 C ATOM 487 CE LYS A 32 48.007 1.596 -11.001 1.00 0.00 C ATOM 488 NZ LYS A 32 47.475 1.630 -12.393 1.00 0.00 N ATOM 0 H LYS A 32 46.161 5.355 -8.664 1.00 0.00 H new ATOM 0 HA LYS A 32 43.651 3.885 -7.923 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.439 2.450 -9.770 1.00 0.00 H new ATOM 0 HB3 LYS A 32 44.539 4.119 -10.296 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.754 3.799 -10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 32 47.040 3.596 -9.027 1.00 0.00 H new ATOM 0 HD2 LYS A 32 46.959 1.240 -9.143 1.00 0.00 H new ATOM 0 HD3 LYS A 32 45.921 1.236 -10.556 1.00 0.00 H new ATOM 0 HE2 LYS A 32 48.714 2.408 -10.830 1.00 0.00 H new ATOM 0 HE3 LYS A 32 48.538 0.664 -10.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 48.262 1.541 -13.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 46.811 0.842 -12.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 46.981 2.531 -12.554 1.00 0.00 H new ATOM 502 N CYS A 33 44.670 1.860 -6.766 1.00 0.00 N ATOM 503 CA CYS A 33 45.234 0.898 -5.769 1.00 0.00 C ATOM 504 C CYS A 33 46.014 -0.222 -6.468 1.00 0.00 C ATOM 505 O CYS A 33 45.445 -1.060 -7.142 1.00 0.00 O ATOM 506 CB CYS A 33 44.018 0.330 -5.040 1.00 0.00 C ATOM 507 SG CYS A 33 43.376 1.570 -3.891 1.00 0.00 S ATOM 0 H CYS A 33 43.738 1.629 -7.110 1.00 0.00 H new ATOM 0 HA CYS A 33 45.935 1.382 -5.089 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.247 0.050 -5.758 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.294 -0.575 -4.499 1.00 0.00 H new ATOM 512 N ARG A 34 47.315 -0.245 -6.301 1.00 0.00 N ATOM 513 CA ARG A 34 48.142 -1.312 -6.944 1.00 0.00 C ATOM 514 C ARG A 34 48.274 -2.521 -5.990 1.00 0.00 C ATOM 515 O ARG A 34 48.761 -2.355 -4.888 1.00 0.00 O ATOM 516 CB ARG A 34 49.513 -0.671 -7.164 1.00 0.00 C ATOM 517 CG ARG A 34 49.552 0.000 -8.539 1.00 0.00 C ATOM 518 CD ARG A 34 50.980 -0.040 -9.088 1.00 0.00 C ATOM 519 NE ARG A 34 51.003 -1.199 -10.021 1.00 0.00 N ATOM 520 CZ ARG A 34 50.658 -1.041 -11.269 1.00 0.00 C ATOM 521 NH1 ARG A 34 51.409 -0.333 -12.068 1.00 0.00 N ATOM 522 NH2 ARG A 34 49.562 -1.588 -11.715 1.00 0.00 N ATOM 0 H ARG A 34 47.840 0.431 -5.746 1.00 0.00 H new ATOM 0 HA ARG A 34 47.701 -1.673 -7.873 1.00 0.00 H new ATOM 0 HB2 ARG A 34 49.711 0.064 -6.384 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.295 -1.428 -7.095 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.874 -0.510 -9.223 1.00 0.00 H new ATOM 0 HG3 ARG A 34 49.210 1.032 -8.461 1.00 0.00 H new ATOM 0 HD2 ARG A 34 51.230 0.887 -9.604 1.00 0.00 H new ATOM 0 HD3 ARG A 34 51.708 -0.165 -8.286 1.00 0.00 H new ATOM 0 HE ARG A 34 51.289 -2.118 -9.684 1.00 0.00 H new ATOM 0 HH11 ARG A 34 52.265 0.096 -11.716 1.00 0.00 H new ATOM 0 HH12 ARG A 34 51.140 -0.209 -13.044 1.00 0.00 H new ATOM 0 HH21 ARG A 34 48.975 -2.139 -11.088 1.00 0.00 H new ATOM 0 HH22 ARG A 34 49.291 -1.465 -12.691 1.00 0.00 H new ATOM 536 N PRO A 35 47.849 -3.707 -6.413 1.00 0.00 N ATOM 537 CA PRO A 35 47.960 -4.892 -5.525 1.00 0.00 C ATOM 538 C PRO A 35 49.431 -5.185 -5.208 1.00 0.00 C ATOM 539 O PRO A 35 50.244 -5.350 -6.098 1.00 0.00 O ATOM 540 CB PRO A 35 47.340 -6.013 -6.365 1.00 0.00 C ATOM 541 CG PRO A 35 46.891 -5.431 -7.718 1.00 0.00 C ATOM 542 CD PRO A 35 47.246 -3.940 -7.756 1.00 0.00 C ATOM 0 HA PRO A 35 47.468 -4.764 -4.561 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.064 -6.813 -6.520 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.490 -6.450 -5.842 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.382 -5.957 -8.537 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.818 -5.567 -7.850 1.00 0.00 H new ATOM 0 HD2 PRO A 35 47.947 -3.712 -8.559 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.365 -3.319 -7.916 1.00 0.00 H new ATOM 550 N PHE A 36 49.772 -5.256 -3.946 1.00 0.00 N ATOM 551 CA PHE A 36 51.187 -5.544 -3.564 1.00 0.00 C ATOM 552 C PHE A 36 51.249 -6.802 -2.687 1.00 0.00 C ATOM 553 O PHE A 36 50.274 -7.178 -2.062 1.00 0.00 O ATOM 554 CB PHE A 36 51.671 -4.291 -2.804 1.00 0.00 C ATOM 555 CG PHE A 36 51.016 -4.191 -1.438 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.711 -3.703 -1.318 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.720 -4.586 -0.296 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.110 -3.610 -0.057 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.120 -4.494 0.965 1.00 0.00 C ATOM 560 CZ PHE A 36 49.815 -4.005 1.085 1.00 0.00 C ATOM 0 H PHE A 36 49.131 -5.127 -3.163 1.00 0.00 H new ATOM 0 HA PHE A 36 51.821 -5.742 -4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.754 -4.328 -2.689 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.442 -3.398 -3.386 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.166 -3.398 -2.199 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.728 -4.963 -0.387 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.102 -3.233 0.034 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.665 -4.801 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.352 -3.932 2.058 1.00 0.00 H new ATOM 570 N LYS A 37 52.385 -7.445 -2.636 1.00 0.00 N ATOM 571 CA LYS A 37 52.511 -8.673 -1.797 1.00 0.00 C ATOM 572 C LYS A 37 52.643 -8.290 -0.323 1.00 0.00 C ATOM 573 O LYS A 37 53.732 -8.210 0.213 1.00 0.00 O ATOM 574 CB LYS A 37 53.779 -9.366 -2.292 1.00 0.00 C ATOM 575 CG LYS A 37 53.397 -10.493 -3.252 1.00 0.00 C ATOM 576 CD LYS A 37 54.485 -10.652 -4.314 1.00 0.00 C ATOM 577 CE LYS A 37 53.944 -11.487 -5.475 1.00 0.00 C ATOM 578 NZ LYS A 37 53.276 -10.505 -6.373 1.00 0.00 N ATOM 0 H LYS A 37 53.230 -7.174 -3.138 1.00 0.00 H new ATOM 0 HA LYS A 37 51.639 -9.322 -1.879 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.427 -8.648 -2.795 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.341 -9.766 -1.448 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.272 -11.426 -2.702 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.441 -10.272 -3.726 1.00 0.00 H new ATOM 0 HD2 LYS A 37 54.804 -9.673 -4.673 1.00 0.00 H new ATOM 0 HD3 LYS A 37 55.362 -11.134 -3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 37 54.747 -12.013 -5.992 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.242 -12.243 -5.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 52.556 -10.991 -6.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 52.821 -9.765 -5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 53.983 -10.072 -7.001 1.00 0.00 H new ATOM 592 N TYR A 38 51.536 -8.056 0.333 1.00 0.00 N ATOM 593 CA TYR A 38 51.576 -7.676 1.780 1.00 0.00 C ATOM 594 C TYR A 38 52.275 -8.771 2.599 1.00 0.00 C ATOM 595 O TYR A 38 52.237 -9.938 2.256 1.00 0.00 O ATOM 596 CB TYR A 38 50.100 -7.529 2.192 1.00 0.00 C ATOM 597 CG TYR A 38 49.985 -7.315 3.686 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.613 -6.219 4.290 1.00 0.00 C ATOM 599 CD2 TYR A 38 49.255 -8.221 4.464 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.510 -6.031 5.675 1.00 0.00 C ATOM 601 CE2 TYR A 38 49.151 -8.032 5.847 1.00 0.00 C ATOM 602 CZ TYR A 38 49.779 -6.938 6.453 1.00 0.00 C ATOM 603 OH TYR A 38 49.681 -6.753 7.817 1.00 0.00 O ATOM 0 H TYR A 38 50.601 -8.112 -0.072 1.00 0.00 H new ATOM 0 HA TYR A 38 52.135 -6.757 1.955 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.651 -6.689 1.663 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.545 -8.421 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 38 51.176 -5.520 3.690 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.772 -9.066 3.997 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.994 -5.187 6.143 1.00 0.00 H new ATOM 0 HE2 TYR A 38 48.586 -8.730 6.446 1.00 0.00 H new ATOM 0 HH TYR A 38 49.138 -7.470 8.206 1.00 0.00 H new ATOM 613 N SER A 39 52.901 -8.391 3.682 1.00 0.00 N ATOM 614 CA SER A 39 53.599 -9.386 4.545 1.00 0.00 C ATOM 615 C SER A 39 52.680 -9.797 5.700 1.00 0.00 C ATOM 616 O SER A 39 51.571 -9.315 5.814 1.00 0.00 O ATOM 617 CB SER A 39 54.839 -8.658 5.066 1.00 0.00 C ATOM 618 OG SER A 39 55.984 -9.132 4.371 1.00 0.00 O ATOM 0 H SER A 39 52.958 -7.426 4.007 1.00 0.00 H new ATOM 0 HA SER A 39 53.867 -10.296 4.009 1.00 0.00 H new ATOM 0 HB2 SER A 39 54.731 -7.583 4.923 1.00 0.00 H new ATOM 0 HB3 SER A 39 54.952 -8.828 6.137 1.00 0.00 H new ATOM 0 HG SER A 39 56.406 -9.850 4.887 1.00 0.00 H new ATOM 624 N GLY A 40 53.126 -10.689 6.549 1.00 0.00 N ATOM 625 CA GLY A 40 52.270 -11.136 7.688 1.00 0.00 C ATOM 626 C GLY A 40 52.839 -10.636 9.022 1.00 0.00 C ATOM 627 O GLY A 40 52.127 -10.555 10.004 1.00 0.00 O ATOM 0 H GLY A 40 54.046 -11.126 6.502 1.00 0.00 H new ATOM 0 HA2 GLY A 40 51.255 -10.761 7.556 1.00 0.00 H new ATOM 0 HA3 GLY A 40 52.208 -12.224 7.698 1.00 0.00 H new ATOM 631 N CYS A 41 54.107 -10.308 9.073 1.00 0.00 N ATOM 632 CA CYS A 41 54.696 -9.826 10.360 1.00 0.00 C ATOM 633 C CYS A 41 54.782 -8.302 10.358 1.00 0.00 C ATOM 634 O CYS A 41 55.442 -7.709 9.525 1.00 0.00 O ATOM 635 CB CYS A 41 56.091 -10.455 10.446 1.00 0.00 C ATOM 636 SG CYS A 41 55.936 -12.259 10.380 1.00 0.00 S ATOM 0 H CYS A 41 54.754 -10.353 8.286 1.00 0.00 H new ATOM 0 HA CYS A 41 54.086 -10.109 11.218 1.00 0.00 H new ATOM 0 HB2 CYS A 41 56.714 -10.101 9.624 1.00 0.00 H new ATOM 0 HB3 CYS A 41 56.582 -10.154 11.371 1.00 0.00 H new ATOM 641 N GLY A 42 54.109 -7.669 11.281 1.00 0.00 N ATOM 642 CA GLY A 42 54.131 -6.180 11.343 1.00 0.00 C ATOM 643 C GLY A 42 53.044 -5.625 10.424 1.00 0.00 C ATOM 644 O GLY A 42 51.896 -6.020 10.504 1.00 0.00 O ATOM 0 H GLY A 42 53.542 -8.122 11.998 1.00 0.00 H new ATOM 0 HA2 GLY A 42 53.966 -5.844 12.367 1.00 0.00 H new ATOM 0 HA3 GLY A 42 55.108 -5.805 11.038 1.00 0.00 H new ATOM 648 N GLY A 43 53.399 -4.717 9.553 1.00 0.00 N ATOM 649 CA GLY A 43 52.389 -4.132 8.622 1.00 0.00 C ATOM 650 C GLY A 43 51.664 -2.980 9.317 1.00 0.00 C ATOM 651 O GLY A 43 51.524 -2.962 10.525 1.00 0.00 O ATOM 0 H GLY A 43 54.346 -4.355 9.446 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.878 -3.774 7.716 1.00 0.00 H new ATOM 0 HA3 GLY A 43 51.673 -4.896 8.318 1.00 0.00 H new ATOM 655 N ASN A 44 51.206 -2.018 8.560 1.00 0.00 N ATOM 656 CA ASN A 44 50.489 -0.857 9.163 1.00 0.00 C ATOM 657 C ASN A 44 48.988 -1.153 9.247 1.00 0.00 C ATOM 658 O ASN A 44 48.575 -2.297 9.296 1.00 0.00 O ATOM 659 CB ASN A 44 50.762 0.313 8.212 1.00 0.00 C ATOM 660 CG ASN A 44 51.088 1.568 9.023 1.00 0.00 C ATOM 661 OD1 ASN A 44 51.651 1.480 10.097 1.00 0.00 O ATOM 662 ND2 ASN A 44 50.758 2.741 8.553 1.00 0.00 N ATOM 0 H ASN A 44 51.298 -1.987 7.545 1.00 0.00 H new ATOM 0 HA ASN A 44 50.824 -0.640 10.177 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.593 0.070 7.549 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.892 0.492 7.580 1.00 0.00 H new ATOM 0 HD21 ASN A 44 50.973 3.583 9.087 1.00 0.00 H new ATOM 0 HD22 ASN A 44 50.286 2.815 7.652 1.00 0.00 H new ATOM 669 N GLU A 45 48.172 -0.130 9.263 1.00 0.00 N ATOM 670 CA GLU A 45 46.696 -0.345 9.343 1.00 0.00 C ATOM 671 C GLU A 45 46.015 0.216 8.091 1.00 0.00 C ATOM 672 O GLU A 45 44.945 0.793 8.160 1.00 0.00 O ATOM 673 CB GLU A 45 46.251 0.416 10.598 1.00 0.00 C ATOM 674 CG GLU A 45 46.622 1.899 10.477 1.00 0.00 C ATOM 675 CD GLU A 45 45.847 2.706 11.519 1.00 0.00 C ATOM 676 OE1 GLU A 45 44.650 2.493 11.637 1.00 0.00 O ATOM 677 OE2 GLU A 45 46.461 3.525 12.183 1.00 0.00 O ATOM 0 H GLU A 45 48.465 0.846 9.224 1.00 0.00 H new ATOM 0 HA GLU A 45 46.430 -1.401 9.398 1.00 0.00 H new ATOM 0 HB2 GLU A 45 45.174 0.313 10.732 1.00 0.00 H new ATOM 0 HB3 GLU A 45 46.725 -0.014 11.480 1.00 0.00 H new ATOM 0 HG2 GLU A 45 47.694 2.030 10.624 1.00 0.00 H new ATOM 0 HG3 GLU A 45 46.391 2.262 9.475 1.00 0.00 H new ATOM 684 N ASN A 46 46.632 0.052 6.948 1.00 0.00 N ATOM 685 CA ASN A 46 46.033 0.573 5.684 1.00 0.00 C ATOM 686 C ASN A 46 45.983 -0.534 4.626 1.00 0.00 C ATOM 687 O ASN A 46 46.127 -0.280 3.446 1.00 0.00 O ATOM 688 CB ASN A 46 46.970 1.695 5.237 1.00 0.00 C ATOM 689 CG ASN A 46 46.357 2.424 4.040 1.00 0.00 C ATOM 690 OD1 ASN A 46 46.912 2.415 2.959 1.00 0.00 O ATOM 691 ND2 ASN A 46 45.226 3.059 4.189 1.00 0.00 N ATOM 0 H ASN A 46 47.528 -0.422 6.837 1.00 0.00 H new ATOM 0 HA ASN A 46 45.011 0.924 5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 46 47.135 2.394 6.057 1.00 0.00 H new ATOM 0 HB3 ASN A 46 47.943 1.285 4.967 1.00 0.00 H new ATOM 0 HD21 ASN A 46 44.808 3.548 3.398 1.00 0.00 H new ATOM 0 HD22 ASN A 46 44.761 3.066 5.097 1.00 0.00 H new ATOM 698 N ASN A 47 45.779 -1.757 5.045 1.00 0.00 N ATOM 699 CA ASN A 47 45.720 -2.889 4.069 1.00 0.00 C ATOM 700 C ASN A 47 44.291 -3.045 3.537 1.00 0.00 C ATOM 701 O ASN A 47 43.414 -3.525 4.231 1.00 0.00 O ATOM 702 CB ASN A 47 46.135 -4.137 4.860 1.00 0.00 C ATOM 703 CG ASN A 47 47.500 -3.917 5.525 1.00 0.00 C ATOM 704 OD1 ASN A 47 47.725 -4.360 6.634 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.427 -3.245 4.894 1.00 0.00 N ATOM 0 H ASN A 47 45.651 -2.022 6.022 1.00 0.00 H new ATOM 0 HA ASN A 47 46.371 -2.724 3.211 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.385 -4.361 5.619 1.00 0.00 H new ATOM 0 HB3 ASN A 47 46.182 -4.999 4.194 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.335 -3.094 5.333 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.242 -2.872 3.963 1.00 0.00 H new ATOM 712 N PHE A 48 44.052 -2.640 2.313 1.00 0.00 N ATOM 713 CA PHE A 48 42.678 -2.762 1.735 1.00 0.00 C ATOM 714 C PHE A 48 42.500 -4.129 1.070 1.00 0.00 C ATOM 715 O PHE A 48 43.374 -4.608 0.373 1.00 0.00 O ATOM 716 CB PHE A 48 42.578 -1.641 0.699 1.00 0.00 C ATOM 717 CG PHE A 48 42.587 -0.303 1.402 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.601 -0.002 2.349 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.584 0.636 1.106 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.610 1.238 3.000 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.592 1.876 1.757 1.00 0.00 C ATOM 722 CZ PHE A 48 42.606 2.176 2.704 1.00 0.00 C ATOM 0 H PHE A 48 44.749 -2.231 1.690 1.00 0.00 H new ATOM 0 HA PHE A 48 41.903 -2.679 2.497 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.412 -1.702 -0.000 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.664 -1.751 0.115 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.833 -0.726 2.578 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.346 0.404 0.376 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.849 1.470 3.730 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.359 2.601 1.528 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.614 3.132 3.207 1.00 0.00 H new ATOM 732 N THR A 49 41.371 -4.761 1.285 1.00 0.00 N ATOM 733 CA THR A 49 41.127 -6.101 0.670 1.00 0.00 C ATOM 734 C THR A 49 40.324 -5.963 -0.634 1.00 0.00 C ATOM 735 O THR A 49 39.690 -6.900 -1.080 1.00 0.00 O ATOM 736 CB THR A 49 40.326 -6.879 1.724 1.00 0.00 C ATOM 737 OG1 THR A 49 40.072 -8.192 1.245 1.00 0.00 O ATOM 738 CG2 THR A 49 38.992 -6.175 2.011 1.00 0.00 C ATOM 0 H THR A 49 40.608 -4.405 1.861 1.00 0.00 H new ATOM 0 HA THR A 49 42.056 -6.607 0.406 1.00 0.00 H new ATOM 0 HB THR A 49 40.906 -6.924 2.646 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.781 -8.149 0.310 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.437 -6.739 2.760 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.184 -5.169 2.384 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.407 -6.116 1.093 1.00 0.00 H new ATOM 746 N SER A 50 40.349 -4.803 -1.243 1.00 0.00 N ATOM 747 CA SER A 50 39.590 -4.600 -2.513 1.00 0.00 C ATOM 748 C SER A 50 40.010 -3.283 -3.167 1.00 0.00 C ATOM 749 O SER A 50 40.873 -2.583 -2.670 1.00 0.00 O ATOM 750 CB SER A 50 38.121 -4.549 -2.095 1.00 0.00 C ATOM 751 OG SER A 50 37.320 -4.223 -3.225 1.00 0.00 O ATOM 0 H SER A 50 40.864 -3.987 -0.913 1.00 0.00 H new ATOM 0 HA SER A 50 39.776 -5.391 -3.239 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.815 -5.511 -1.683 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.980 -3.807 -1.309 1.00 0.00 H new ATOM 0 HG SER A 50 36.377 -4.191 -2.960 1.00 0.00 H new ATOM 757 N LYS A 51 39.406 -2.942 -4.276 1.00 0.00 N ATOM 758 CA LYS A 51 39.768 -1.670 -4.965 1.00 0.00 C ATOM 759 C LYS A 51 38.666 -0.624 -4.765 1.00 0.00 C ATOM 760 O LYS A 51 38.936 0.555 -4.630 1.00 0.00 O ATOM 761 CB LYS A 51 39.898 -2.038 -6.444 1.00 0.00 C ATOM 762 CG LYS A 51 40.773 -1.001 -7.151 1.00 0.00 C ATOM 763 CD LYS A 51 40.563 -1.099 -8.663 1.00 0.00 C ATOM 764 CE LYS A 51 41.592 -2.059 -9.262 1.00 0.00 C ATOM 765 NZ LYS A 51 41.950 -1.464 -10.579 1.00 0.00 N ATOM 0 H LYS A 51 38.678 -3.490 -4.733 1.00 0.00 H new ATOM 0 HA LYS A 51 40.689 -1.238 -4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.337 -3.030 -6.546 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.913 -2.076 -6.909 1.00 0.00 H new ATOM 0 HG2 LYS A 51 40.521 0.001 -6.803 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.822 -1.169 -6.908 1.00 0.00 H new ATOM 0 HD2 LYS A 51 39.554 -1.451 -8.878 1.00 0.00 H new ATOM 0 HD3 LYS A 51 40.661 -0.114 -9.119 1.00 0.00 H new ATOM 0 HE2 LYS A 51 42.467 -2.151 -8.619 1.00 0.00 H new ATOM 0 HE3 LYS A 51 41.177 -3.060 -9.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 42.653 -2.066 -11.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 41.098 -1.395 -11.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 42.349 -0.515 -10.434 1.00 0.00 H new ATOM 779 N GLN A 52 37.430 -1.051 -4.741 1.00 0.00 N ATOM 780 CA GLN A 52 36.306 -0.084 -4.545 1.00 0.00 C ATOM 781 C GLN A 52 36.319 0.455 -3.111 1.00 0.00 C ATOM 782 O GLN A 52 35.859 1.551 -2.849 1.00 0.00 O ATOM 783 CB GLN A 52 35.029 -0.891 -4.806 1.00 0.00 C ATOM 784 CG GLN A 52 34.028 -0.031 -5.583 1.00 0.00 C ATOM 785 CD GLN A 52 33.025 -0.931 -6.307 1.00 0.00 C ATOM 786 OE1 GLN A 52 33.306 -2.084 -6.571 1.00 0.00 O ATOM 787 NE2 GLN A 52 31.859 -0.451 -6.645 1.00 0.00 N ATOM 0 H GLN A 52 37.149 -2.026 -4.848 1.00 0.00 H new ATOM 0 HA GLN A 52 36.382 0.776 -5.210 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.265 -1.792 -5.372 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.591 -1.213 -3.861 1.00 0.00 H new ATOM 0 HG2 GLN A 52 33.504 0.639 -4.901 1.00 0.00 H new ATOM 0 HG3 GLN A 52 34.555 0.595 -6.303 1.00 0.00 H new ATOM 0 HE21 GLN A 52 31.622 0.516 -6.424 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.185 -1.043 -7.130 1.00 0.00 H new ATOM 796 N GLU A 53 36.846 -0.306 -2.183 1.00 0.00 N ATOM 797 CA GLU A 53 36.893 0.157 -0.765 1.00 0.00 C ATOM 798 C GLU A 53 38.109 1.062 -0.535 1.00 0.00 C ATOM 799 O GLU A 53 38.017 2.075 0.133 1.00 0.00 O ATOM 800 CB GLU A 53 37.015 -1.123 0.066 1.00 0.00 C ATOM 801 CG GLU A 53 36.381 -0.905 1.443 1.00 0.00 C ATOM 802 CD GLU A 53 37.033 -1.845 2.460 1.00 0.00 C ATOM 803 OE1 GLU A 53 38.038 -1.459 3.034 1.00 0.00 O ATOM 804 OE2 GLU A 53 36.515 -2.934 2.648 1.00 0.00 O ATOM 0 H GLU A 53 37.246 -1.230 -2.349 1.00 0.00 H new ATOM 0 HA GLU A 53 36.012 0.739 -0.496 1.00 0.00 H new ATOM 0 HB2 GLU A 53 36.521 -1.949 -0.446 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.064 -1.398 0.177 1.00 0.00 H new ATOM 0 HG2 GLU A 53 36.510 0.131 1.755 1.00 0.00 H new ATOM 0 HG3 GLU A 53 35.308 -1.092 1.395 1.00 0.00 H new ATOM 811 N CYS A 54 39.247 0.698 -1.077 1.00 0.00 N ATOM 812 CA CYS A 54 40.471 1.533 -0.877 1.00 0.00 C ATOM 813 C CYS A 54 40.269 2.934 -1.477 1.00 0.00 C ATOM 814 O CYS A 54 40.725 3.922 -0.934 1.00 0.00 O ATOM 815 CB CYS A 54 41.622 0.753 -1.560 1.00 0.00 C ATOM 816 SG CYS A 54 41.551 0.877 -3.371 1.00 0.00 S ATOM 0 H CYS A 54 39.380 -0.138 -1.647 1.00 0.00 H new ATOM 0 HA CYS A 54 40.697 1.698 0.177 1.00 0.00 H new ATOM 0 HB2 CYS A 54 42.579 1.138 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.573 -0.296 -1.267 1.00 0.00 H new ATOM 821 N LEU A 55 39.587 3.020 -2.592 1.00 0.00 N ATOM 822 CA LEU A 55 39.349 4.348 -3.230 1.00 0.00 C ATOM 823 C LEU A 55 38.218 5.079 -2.502 1.00 0.00 C ATOM 824 O LEU A 55 38.306 6.258 -2.224 1.00 0.00 O ATOM 825 CB LEU A 55 38.947 4.032 -4.674 1.00 0.00 C ATOM 826 CG LEU A 55 40.177 4.120 -5.579 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.895 3.404 -6.902 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.503 5.588 -5.859 1.00 0.00 C ATOM 0 H LEU A 55 39.184 2.225 -3.088 1.00 0.00 H new ATOM 0 HA LEU A 55 40.227 4.993 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 55 38.511 3.034 -4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 55 38.184 4.733 -5.012 1.00 0.00 H new ATOM 0 HG LEU A 55 41.023 3.646 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 55 40.773 3.468 -7.545 1.00 0.00 H new ATOM 0 HD12 LEU A 55 39.664 2.357 -6.707 1.00 0.00 H new ATOM 0 HD13 LEU A 55 39.047 3.876 -7.398 1.00 0.00 H new ATOM 0 HD21 LEU A 55 41.380 5.649 -6.504 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.655 6.061 -6.354 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.707 6.101 -4.919 1.00 0.00 H new ATOM 840 N ARG A 56 37.160 4.379 -2.189 1.00 0.00 N ATOM 841 CA ARG A 56 36.013 5.020 -1.471 1.00 0.00 C ATOM 842 C ARG A 56 36.420 5.433 -0.049 1.00 0.00 C ATOM 843 O ARG A 56 35.752 6.231 0.581 1.00 0.00 O ATOM 844 CB ARG A 56 34.922 3.948 -1.432 1.00 0.00 C ATOM 845 CG ARG A 56 33.624 4.544 -0.875 1.00 0.00 C ATOM 846 CD ARG A 56 32.747 3.423 -0.310 1.00 0.00 C ATOM 847 NE ARG A 56 31.708 4.118 0.499 1.00 0.00 N ATOM 848 CZ ARG A 56 31.942 4.414 1.747 1.00 0.00 C ATOM 849 NH1 ARG A 56 31.743 3.522 2.678 1.00 0.00 N ATOM 850 NH2 ARG A 56 32.369 5.606 2.066 1.00 0.00 N ATOM 0 H ARG A 56 37.038 3.388 -2.399 1.00 0.00 H new ATOM 0 HA ARG A 56 35.677 5.929 -1.970 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.751 3.554 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.244 3.112 -0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.851 5.271 -0.095 1.00 0.00 H new ATOM 0 HG3 ARG A 56 33.089 5.077 -1.661 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.297 2.834 -1.109 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.331 2.736 0.303 1.00 0.00 H new ATOM 0 HE ARG A 56 30.812 4.363 0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 56 31.404 2.593 2.430 1.00 0.00 H new ATOM 0 HH12 ARG A 56 31.926 3.754 3.654 1.00 0.00 H new ATOM 0 HH21 ARG A 56 32.519 6.305 1.339 1.00 0.00 H new ATOM 0 HH22 ARG A 56 32.552 5.838 3.042 1.00 0.00 H new ATOM 864 N ALA A 57 37.506 4.900 0.462 1.00 0.00 N ATOM 865 CA ALA A 57 37.944 5.268 1.843 1.00 0.00 C ATOM 866 C ALA A 57 38.997 6.379 1.799 1.00 0.00 C ATOM 867 O ALA A 57 38.844 7.409 2.428 1.00 0.00 O ATOM 868 CB ALA A 57 38.551 3.989 2.423 1.00 0.00 C ATOM 0 H ALA A 57 38.105 4.228 -0.018 1.00 0.00 H new ATOM 0 HA ALA A 57 37.115 5.642 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 57 38.897 4.179 3.439 1.00 0.00 H new ATOM 0 HB2 ALA A 57 37.797 3.202 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 57 39.392 3.673 1.806 1.00 0.00 H new ATOM 874 N CYS A 58 40.068 6.172 1.073 1.00 0.00 N ATOM 875 CA CYS A 58 41.140 7.210 1.001 1.00 0.00 C ATOM 876 C CYS A 58 40.737 8.340 0.052 1.00 0.00 C ATOM 877 O CYS A 58 40.884 9.506 0.367 1.00 0.00 O ATOM 878 CB CYS A 58 42.375 6.479 0.464 1.00 0.00 C ATOM 879 SG CYS A 58 43.866 7.147 1.251 1.00 0.00 S ATOM 0 H CYS A 58 40.245 5.329 0.527 1.00 0.00 H new ATOM 0 HA CYS A 58 41.324 7.667 1.973 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.293 5.411 0.664 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.438 6.597 -0.618 1.00 0.00 H new ATOM 884 N LYS A 59 40.237 8.001 -1.107 1.00 0.00 N ATOM 885 CA LYS A 59 39.829 9.052 -2.086 1.00 0.00 C ATOM 886 C LYS A 59 38.499 9.685 -1.670 1.00 0.00 C ATOM 887 O LYS A 59 38.230 10.835 -1.965 1.00 0.00 O ATOM 888 CB LYS A 59 39.682 8.319 -3.420 1.00 0.00 C ATOM 889 CG LYS A 59 40.075 9.258 -4.558 1.00 0.00 C ATOM 890 CD LYS A 59 38.867 10.105 -4.954 1.00 0.00 C ATOM 891 CE LYS A 59 39.076 10.673 -6.358 1.00 0.00 C ATOM 892 NZ LYS A 59 37.784 11.330 -6.698 1.00 0.00 N ATOM 0 H LYS A 59 40.093 7.040 -1.419 1.00 0.00 H new ATOM 0 HA LYS A 59 40.557 9.861 -2.144 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.314 7.431 -3.432 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.654 7.981 -3.551 1.00 0.00 H new ATOM 0 HG2 LYS A 59 40.898 9.901 -4.246 1.00 0.00 H new ATOM 0 HG3 LYS A 59 40.427 8.683 -5.414 1.00 0.00 H new ATOM 0 HD2 LYS A 59 37.961 9.499 -4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 59 38.729 10.916 -4.239 1.00 0.00 H new ATOM 0 HE2 LYS A 59 39.900 11.386 -6.378 1.00 0.00 H new ATOM 0 HE3 LYS A 59 39.319 9.885 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 37.846 11.746 -7.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 37.020 10.625 -6.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 37.583 12.079 -6.005 1.00 0.00 H new ATOM 906 N LYS A 60 37.659 8.940 -0.988 1.00 0.00 N ATOM 907 CA LYS A 60 36.332 9.487 -0.547 1.00 0.00 C ATOM 908 C LYS A 60 35.579 10.103 -1.736 1.00 0.00 C ATOM 909 O LYS A 60 34.868 11.080 -1.595 1.00 0.00 O ATOM 910 CB LYS A 60 36.659 10.558 0.501 1.00 0.00 C ATOM 911 CG LYS A 60 36.814 9.897 1.874 1.00 0.00 C ATOM 912 CD LYS A 60 37.471 10.880 2.854 1.00 0.00 C ATOM 913 CE LYS A 60 36.692 10.894 4.171 1.00 0.00 C ATOM 914 NZ LYS A 60 37.065 12.179 4.824 1.00 0.00 N ATOM 0 H LYS A 60 37.836 7.973 -0.716 1.00 0.00 H new ATOM 0 HA LYS A 60 35.688 8.707 -0.139 1.00 0.00 H new ATOM 0 HB2 LYS A 60 37.577 11.079 0.230 1.00 0.00 H new ATOM 0 HB3 LYS A 60 35.866 11.305 0.533 1.00 0.00 H new ATOM 0 HG2 LYS A 60 35.839 9.590 2.252 1.00 0.00 H new ATOM 0 HG3 LYS A 60 37.421 8.996 1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 60 38.506 10.590 3.036 1.00 0.00 H new ATOM 0 HD3 LYS A 60 37.491 11.880 2.422 1.00 0.00 H new ATOM 0 HE2 LYS A 60 35.618 10.838 3.995 1.00 0.00 H new ATOM 0 HE3 LYS A 60 36.958 10.042 4.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 36.570 12.262 5.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 38.092 12.201 4.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 36.794 12.973 4.209 1.00 0.00 H new ATOM 928 N GLY A 61 35.737 9.532 -2.902 1.00 0.00 N ATOM 929 CA GLY A 61 35.041 10.069 -4.108 1.00 0.00 C ATOM 930 C GLY A 61 34.607 8.909 -5.007 1.00 0.00 C ATOM 931 O GLY A 61 35.401 8.001 -5.194 1.00 0.00 O ATOM 932 OXT GLY A 61 33.489 8.949 -5.492 1.00 0.00 O ATOM 0 H GLY A 61 36.321 8.713 -3.071 1.00 0.00 H new ATOM 0 HA2 GLY A 61 34.172 10.655 -3.808 1.00 0.00 H new ATOM 0 HA3 GLY A 61 35.704 10.739 -4.655 1.00 0.00 H new TER 936 GLY A 61