USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 412 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 32 TYR OH : rot -113:sc= 1.11 USER MOD Set 1.2: A 41 LYS NZ :NH3+ 164:sc= 1.17 (180deg=0) USER MOD Set 2.1: A 8 SER OG : rot 21:sc= -1.24 USER MOD Set 2.2: A 38 ASN : amide:sc= 0.114 K(o=-1.1,f=-11!) USER MOD Single : A 1 ILE N :NH3+ 180:sc= -0.0358 (180deg=-0.0358) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0107) USER MOD Single : A 16 SER OG : rot 49:sc= 1.25 USER MOD Single : A 21 TYR OH : rot 180:sc= -2.4 USER MOD Single : A 23 ASN : amide:sc=-2.17e-05 X(o=-2.2e-05,f=-0.094) USER MOD Single : A 26 THR OG1 : rot 180:sc= -0.259 USER MOD Single : A 29 LYS NZ :NH3+ 141:sc= -0.467 (180deg=-3.24!) USER MOD Single : A 40 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.2!) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.349 USER MOD Single : A 45 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.4!) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 1 5.280 11.288 5.538 1.00 0.00 N ATOM 2 CA ILE A 1 5.332 12.038 4.256 1.00 0.00 C ATOM 3 C ILE A 1 6.259 11.352 3.257 1.00 0.00 C ATOM 4 O ILE A 1 5.922 11.202 2.083 1.00 0.00 O ATOM 5 CB ILE A 1 5.800 13.495 4.478 1.00 0.00 C ATOM 6 CG1 ILE A 1 5.537 14.342 3.226 1.00 0.00 C ATOM 7 CG2 ILE A 1 7.272 13.544 4.868 1.00 0.00 C ATOM 8 CD1 ILE A 1 6.455 14.028 2.062 1.00 0.00 C ATOM 0 H1 ILE A 1 4.643 11.775 6.200 1.00 0.00 H new ATOM 0 H2 ILE A 1 4.927 10.326 5.363 1.00 0.00 H new ATOM 0 H3 ILE A 1 6.234 11.237 5.950 1.00 0.00 H new ATOM 0 HA ILE A 1 4.321 12.052 3.850 1.00 0.00 H new ATOM 0 HB ILE A 1 5.223 13.915 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 1 4.504 14.194 2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 1 5.643 15.396 3.484 1.00 0.00 H new ATOM 0 HG21 ILE A 1 7.574 14.580 5.018 1.00 0.00 H new ATOM 0 HG22 ILE A 1 7.423 12.985 5.792 1.00 0.00 H new ATOM 0 HG23 ILE A 1 7.874 13.102 4.074 1.00 0.00 H new ATOM 0 HD11 ILE A 1 6.204 14.669 1.217 1.00 0.00 H new ATOM 0 HD12 ILE A 1 7.489 14.204 2.357 1.00 0.00 H new ATOM 0 HD13 ILE A 1 6.333 12.984 1.774 1.00 0.00 H new ATOM 22 N ASP A 2 7.428 10.935 3.733 1.00 0.00 N ATOM 23 CA ASP A 2 8.403 10.263 2.881 1.00 0.00 C ATOM 24 C ASP A 2 7.938 8.854 2.526 1.00 0.00 C ATOM 25 O ASP A 2 8.307 8.313 1.484 1.00 0.00 O ATOM 26 CB ASP A 2 9.764 10.203 3.578 1.00 0.00 C ATOM 27 CG ASP A 2 9.669 9.644 4.984 1.00 0.00 C ATOM 28 OD1 ASP A 2 9.713 8.405 5.135 1.00 0.00 O ATOM 29 OD2 ASP A 2 9.552 10.446 5.934 1.00 0.00 O ATOM 0 H ASP A 2 7.723 11.050 4.703 1.00 0.00 H new ATOM 0 HA ASP A 2 8.499 10.837 1.959 1.00 0.00 H new ATOM 0 HB2 ASP A 2 10.443 9.586 2.990 1.00 0.00 H new ATOM 0 HB3 ASP A 2 10.194 11.204 3.616 1.00 0.00 H new ATOM 34 N THR A 3 7.128 8.264 3.401 1.00 0.00 N ATOM 35 CA THR A 3 6.614 6.918 3.179 1.00 0.00 C ATOM 36 C THR A 3 5.833 6.839 1.871 1.00 0.00 C ATOM 37 O THR A 3 5.891 5.834 1.161 1.00 0.00 O ATOM 38 CB THR A 3 5.720 6.495 4.346 1.00 0.00 C ATOM 39 OG1 THR A 3 6.414 6.609 5.575 1.00 0.00 O ATOM 40 CG2 THR A 3 5.221 5.072 4.232 1.00 0.00 C ATOM 0 H THR A 3 6.814 8.697 4.269 1.00 0.00 H new ATOM 0 HA THR A 3 7.464 6.238 3.113 1.00 0.00 H new ATOM 0 HB THR A 3 4.863 7.167 4.312 1.00 0.00 H new ATOM 0 HG1 THR A 3 5.826 6.336 6.310 1.00 0.00 H new ATOM 0 HG21 THR A 3 4.593 4.837 5.091 1.00 0.00 H new ATOM 0 HG22 THR A 3 4.639 4.963 3.317 1.00 0.00 H new ATOM 0 HG23 THR A 3 6.071 4.390 4.206 1.00 0.00 H new ATOM 48 N CYS A 4 5.107 7.905 1.556 1.00 0.00 N ATOM 49 CA CYS A 4 4.318 7.955 0.330 1.00 0.00 C ATOM 50 C CYS A 4 5.218 8.013 -0.904 1.00 0.00 C ATOM 51 O CYS A 4 4.756 7.821 -2.029 1.00 0.00 O ATOM 52 CB CYS A 4 3.384 9.167 0.350 1.00 0.00 C ATOM 53 SG CYS A 4 2.459 9.365 1.907 1.00 0.00 S ATOM 0 H CYS A 4 5.048 8.745 2.131 1.00 0.00 H new ATOM 0 HA CYS A 4 3.723 7.043 0.277 1.00 0.00 H new ATOM 0 HB2 CYS A 4 3.971 10.068 0.171 1.00 0.00 H new ATOM 0 HB3 CYS A 4 2.675 9.080 -0.473 1.00 0.00 H new ATOM 58 N ARG A 5 6.505 8.282 -0.690 1.00 0.00 N ATOM 59 CA ARG A 5 7.460 8.366 -1.788 1.00 0.00 C ATOM 60 C ARG A 5 8.091 7.007 -2.075 1.00 0.00 C ATOM 61 O ARG A 5 8.453 6.710 -3.215 1.00 0.00 O ATOM 62 CB ARG A 5 8.551 9.388 -1.462 1.00 0.00 C ATOM 63 CG ARG A 5 8.009 10.728 -0.992 1.00 0.00 C ATOM 64 CD ARG A 5 9.130 11.707 -0.687 1.00 0.00 C ATOM 65 NE ARG A 5 10.106 11.149 0.246 1.00 0.00 N ATOM 66 CZ ARG A 5 11.256 11.743 0.557 1.00 0.00 C ATOM 67 NH1 ARG A 5 11.576 12.912 0.017 1.00 0.00 N ATOM 68 NH2 ARG A 5 12.091 11.167 1.413 1.00 0.00 N ATOM 0 H ARG A 5 6.908 8.445 0.233 1.00 0.00 H new ATOM 0 HA ARG A 5 6.920 8.687 -2.679 1.00 0.00 H new ATOM 0 HB2 ARG A 5 9.202 8.978 -0.690 1.00 0.00 H new ATOM 0 HB3 ARG A 5 9.166 9.545 -2.348 1.00 0.00 H new ATOM 0 HG2 ARG A 5 7.357 11.147 -1.759 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.399 10.582 -0.100 1.00 0.00 H new ATOM 0 HD2 ARG A 5 9.632 11.984 -1.614 1.00 0.00 H new ATOM 0 HD3 ARG A 5 8.709 12.621 -0.268 1.00 0.00 H new ATOM 0 HE ARG A 5 9.894 10.253 0.684 1.00 0.00 H new ATOM 0 HH11 ARG A 5 10.939 13.361 -0.641 1.00 0.00 H new ATOM 0 HH12 ARG A 5 12.459 13.361 0.260 1.00 0.00 H new ATOM 0 HH21 ARG A 5 11.852 10.269 1.833 1.00 0.00 H new ATOM 0 HH22 ARG A 5 12.972 11.623 1.651 1.00 0.00 H new ATOM 82 N LEU A 6 8.225 6.186 -1.039 1.00 0.00 N ATOM 83 CA LEU A 6 8.819 4.861 -1.189 1.00 0.00 C ATOM 84 C LEU A 6 7.746 3.808 -1.473 1.00 0.00 C ATOM 85 O LEU A 6 6.903 3.527 -0.621 1.00 0.00 O ATOM 86 CB LEU A 6 9.602 4.484 0.071 1.00 0.00 C ATOM 87 CG LEU A 6 8.750 4.220 1.316 1.00 0.00 C ATOM 88 CD1 LEU A 6 8.522 2.727 1.506 1.00 0.00 C ATOM 89 CD2 LEU A 6 9.408 4.824 2.550 1.00 0.00 C ATOM 0 H LEU A 6 7.932 6.413 -0.089 1.00 0.00 H new ATOM 0 HA LEU A 6 9.503 4.892 -2.037 1.00 0.00 H new ATOM 0 HB2 LEU A 6 10.192 3.592 -0.141 1.00 0.00 H new ATOM 0 HB3 LEU A 6 10.305 5.286 0.295 1.00 0.00 H new ATOM 0 HG LEU A 6 7.780 4.697 1.175 1.00 0.00 H new ATOM 0 HD11 LEU A 6 7.915 2.562 2.396 1.00 0.00 H new ATOM 0 HD12 LEU A 6 8.006 2.324 0.635 1.00 0.00 H new ATOM 0 HD13 LEU A 6 9.482 2.224 1.624 1.00 0.00 H new ATOM 0 HD21 LEU A 6 8.789 4.627 3.425 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.392 4.377 2.693 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.514 5.900 2.416 1.00 0.00 H new ATOM 101 N PRO A 7 7.762 3.208 -2.679 1.00 0.00 N ATOM 102 CA PRO A 7 6.784 2.183 -3.062 1.00 0.00 C ATOM 103 C PRO A 7 6.793 0.995 -2.107 1.00 0.00 C ATOM 104 O PRO A 7 7.780 0.750 -1.414 1.00 0.00 O ATOM 105 CB PRO A 7 7.240 1.747 -4.459 1.00 0.00 C ATOM 106 CG PRO A 7 8.064 2.879 -4.966 1.00 0.00 C ATOM 107 CD PRO A 7 8.727 3.479 -3.759 1.00 0.00 C ATOM 0 HA PRO A 7 5.764 2.567 -3.037 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.820 0.825 -4.415 1.00 0.00 H new ATOM 0 HB3 PRO A 7 6.387 1.556 -5.111 1.00 0.00 H new ATOM 0 HG2 PRO A 7 8.805 2.531 -5.686 1.00 0.00 H new ATOM 0 HG3 PRO A 7 7.444 3.615 -5.477 1.00 0.00 H new ATOM 0 HD2 PRO A 7 9.695 3.019 -3.560 1.00 0.00 H new ATOM 0 HD3 PRO A 7 8.902 4.547 -3.885 1.00 0.00 H new ATOM 115 N SER A 8 5.687 0.259 -2.075 1.00 0.00 N ATOM 116 CA SER A 8 5.568 -0.903 -1.202 1.00 0.00 C ATOM 117 C SER A 8 5.561 -2.198 -2.010 1.00 0.00 C ATOM 118 O SER A 8 4.821 -2.329 -2.984 1.00 0.00 O ATOM 119 CB SER A 8 4.293 -0.807 -0.361 1.00 0.00 C ATOM 120 OG SER A 8 4.596 -0.511 0.992 1.00 0.00 O ATOM 0 H SER A 8 4.861 0.446 -2.643 1.00 0.00 H new ATOM 0 HA SER A 8 6.434 -0.916 -0.540 1.00 0.00 H new ATOM 0 HB2 SER A 8 3.642 -0.034 -0.769 1.00 0.00 H new ATOM 0 HB3 SER A 8 3.745 -1.747 -0.417 1.00 0.00 H new ATOM 0 HG SER A 8 5.491 -0.116 1.048 1.00 0.00 H new ATOM 126 N ASP A 9 6.385 -3.154 -1.592 1.00 0.00 N ATOM 127 CA ASP A 9 6.465 -4.440 -2.272 1.00 0.00 C ATOM 128 C ASP A 9 5.464 -5.420 -1.671 1.00 0.00 C ATOM 129 O ASP A 9 5.229 -5.419 -0.463 1.00 0.00 O ATOM 130 CB ASP A 9 7.883 -5.007 -2.179 1.00 0.00 C ATOM 131 CG ASP A 9 8.764 -4.553 -3.327 1.00 0.00 C ATOM 132 OD1 ASP A 9 8.673 -5.155 -4.418 1.00 0.00 O ATOM 133 OD2 ASP A 9 9.544 -3.597 -3.135 1.00 0.00 O ATOM 0 H ASP A 9 7.005 -3.062 -0.787 1.00 0.00 H new ATOM 0 HA ASP A 9 6.220 -4.291 -3.323 1.00 0.00 H new ATOM 0 HB2 ASP A 9 8.333 -4.699 -1.235 1.00 0.00 H new ATOM 0 HB3 ASP A 9 7.836 -6.096 -2.169 1.00 0.00 H new ATOM 138 N ARG A 10 4.861 -6.239 -2.523 1.00 0.00 N ATOM 139 CA ARG A 10 3.865 -7.208 -2.078 1.00 0.00 C ATOM 140 C ARG A 10 4.493 -8.525 -1.633 1.00 0.00 C ATOM 141 O ARG A 10 3.826 -9.350 -1.013 1.00 0.00 O ATOM 142 CB ARG A 10 2.856 -7.473 -3.194 1.00 0.00 C ATOM 143 CG ARG A 10 3.489 -7.907 -4.507 1.00 0.00 C ATOM 144 CD ARG A 10 2.877 -7.176 -5.692 1.00 0.00 C ATOM 145 NE ARG A 10 1.821 -7.959 -6.331 1.00 0.00 N ATOM 146 CZ ARG A 10 1.491 -7.853 -7.618 1.00 0.00 C ATOM 147 NH1 ARG A 10 2.113 -6.982 -8.405 1.00 0.00 N ATOM 148 NH2 ARG A 10 0.529 -8.616 -8.120 1.00 0.00 N ATOM 0 H ARG A 10 5.043 -6.252 -3.526 1.00 0.00 H new ATOM 0 HA ARG A 10 3.361 -6.775 -1.214 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.160 -8.244 -2.865 1.00 0.00 H new ATOM 0 HB3 ARG A 10 2.272 -6.569 -3.365 1.00 0.00 H new ATOM 0 HG2 ARG A 10 4.562 -7.716 -4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 10 3.361 -8.982 -4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 10 2.470 -6.222 -5.358 1.00 0.00 H new ATOM 0 HD3 ARG A 10 3.655 -6.953 -6.422 1.00 0.00 H new ATOM 0 HE ARG A 10 1.306 -8.627 -5.757 1.00 0.00 H new ATOM 0 HH11 ARG A 10 2.850 -6.387 -8.026 1.00 0.00 H new ATOM 0 HH12 ARG A 10 1.854 -6.908 -9.389 1.00 0.00 H new ATOM 0 HH21 ARG A 10 0.042 -9.283 -7.521 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.276 -8.536 -9.105 1.00 0.00 H new ATOM 162 N GLY A 11 5.770 -8.720 -1.941 1.00 0.00 N ATOM 163 CA GLY A 11 6.441 -9.946 -1.552 1.00 0.00 C ATOM 164 C GLY A 11 5.751 -11.194 -2.075 1.00 0.00 C ATOM 165 O GLY A 11 4.569 -11.416 -1.813 1.00 0.00 O ATOM 0 H GLY A 11 6.351 -8.054 -2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 11 7.467 -9.924 -1.920 1.00 0.00 H new ATOM 0 HA3 GLY A 11 6.493 -9.995 -0.464 1.00 0.00 H new ATOM 169 N ARG A 12 6.489 -12.016 -2.807 1.00 0.00 N ATOM 170 CA ARG A 12 5.935 -13.248 -3.356 1.00 0.00 C ATOM 171 C ARG A 12 5.966 -14.377 -2.325 1.00 0.00 C ATOM 172 O ARG A 12 5.557 -15.501 -2.616 1.00 0.00 O ATOM 173 CB ARG A 12 6.709 -13.667 -4.610 1.00 0.00 C ATOM 174 CG ARG A 12 5.818 -14.158 -5.740 1.00 0.00 C ATOM 175 CD ARG A 12 6.628 -14.507 -6.979 1.00 0.00 C ATOM 176 NE ARG A 12 6.106 -13.851 -8.175 1.00 0.00 N ATOM 177 CZ ARG A 12 6.389 -14.239 -9.417 1.00 0.00 C ATOM 178 NH1 ARG A 12 7.186 -15.278 -9.631 1.00 0.00 N ATOM 179 NH2 ARG A 12 5.870 -13.585 -10.448 1.00 0.00 N ATOM 0 H ARG A 12 7.470 -11.854 -3.035 1.00 0.00 H new ATOM 0 HA ARG A 12 4.896 -13.056 -3.623 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.297 -12.820 -4.964 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.414 -14.455 -4.345 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.260 -15.035 -5.410 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.086 -13.389 -5.988 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.667 -14.213 -6.828 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.620 -15.587 -7.125 1.00 0.00 H new ATOM 0 HE ARG A 12 5.488 -13.049 -8.052 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.586 -15.785 -8.842 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.399 -15.570 -10.585 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.256 -12.787 -10.288 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.085 -13.881 -11.400 1.00 0.00 H new ATOM 193 N CYS A 13 6.457 -14.079 -1.122 1.00 0.00 N ATOM 194 CA CYS A 13 6.542 -15.082 -0.066 1.00 0.00 C ATOM 195 C CYS A 13 5.171 -15.690 0.237 1.00 0.00 C ATOM 196 O CYS A 13 4.964 -16.889 0.047 1.00 0.00 O ATOM 197 CB CYS A 13 7.160 -14.487 1.210 1.00 0.00 C ATOM 198 SG CYS A 13 6.532 -12.838 1.680 1.00 0.00 S ATOM 0 H CYS A 13 6.800 -13.155 -0.857 1.00 0.00 H new ATOM 0 HA CYS A 13 7.193 -15.880 -0.424 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.982 -15.175 2.036 1.00 0.00 H new ATOM 0 HB3 CYS A 13 8.240 -14.423 1.076 1.00 0.00 H new ATOM 203 N LYS A 14 4.239 -14.866 0.707 1.00 0.00 N ATOM 204 CA LYS A 14 2.896 -15.336 1.030 1.00 0.00 C ATOM 205 C LYS A 14 1.869 -14.781 0.048 1.00 0.00 C ATOM 206 O LYS A 14 0.731 -14.499 0.422 1.00 0.00 O ATOM 207 CB LYS A 14 2.525 -14.937 2.459 1.00 0.00 C ATOM 208 CG LYS A 14 2.914 -15.974 3.499 1.00 0.00 C ATOM 209 CD LYS A 14 2.061 -17.227 3.384 1.00 0.00 C ATOM 210 CE LYS A 14 2.690 -18.398 4.122 1.00 0.00 C ATOM 211 NZ LYS A 14 3.815 -18.999 3.355 1.00 0.00 N ATOM 0 H LYS A 14 4.389 -13.871 0.872 1.00 0.00 H new ATOM 0 HA LYS A 14 2.891 -16.423 0.950 1.00 0.00 H new ATOM 0 HB2 LYS A 14 3.010 -13.992 2.701 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.450 -14.766 2.512 1.00 0.00 H new ATOM 0 HG2 LYS A 14 3.965 -16.236 3.377 1.00 0.00 H new ATOM 0 HG3 LYS A 14 2.805 -15.549 4.497 1.00 0.00 H new ATOM 0 HD2 LYS A 14 1.068 -17.031 3.789 1.00 0.00 H new ATOM 0 HD3 LYS A 14 1.931 -17.485 2.333 1.00 0.00 H new ATOM 0 HE2 LYS A 14 3.052 -18.062 5.094 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.932 -19.158 4.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 4.161 -19.845 3.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 3.485 -19.266 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 4.587 -18.307 3.271 1.00 0.00 H new ATOM 225 N ALA A 15 2.274 -14.625 -1.210 1.00 0.00 N ATOM 226 CA ALA A 15 1.384 -14.099 -2.241 1.00 0.00 C ATOM 227 C ALA A 15 0.031 -14.806 -2.227 1.00 0.00 C ATOM 228 O ALA A 15 -0.124 -15.883 -2.802 1.00 0.00 O ATOM 229 CB ALA A 15 2.032 -14.229 -3.611 1.00 0.00 C ATOM 0 H ALA A 15 3.212 -14.855 -1.539 1.00 0.00 H new ATOM 0 HA ALA A 15 1.211 -13.045 -2.026 1.00 0.00 H new ATOM 0 HB1 ALA A 15 1.358 -13.833 -4.371 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.966 -13.668 -3.626 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.236 -15.279 -3.819 1.00 0.00 H new ATOM 235 N SER A 16 -0.946 -14.191 -1.564 1.00 0.00 N ATOM 236 CA SER A 16 -2.286 -14.764 -1.476 1.00 0.00 C ATOM 237 C SER A 16 -3.276 -13.766 -0.879 1.00 0.00 C ATOM 238 O SER A 16 -4.202 -14.152 -0.167 1.00 0.00 O ATOM 239 CB SER A 16 -2.261 -16.040 -0.632 1.00 0.00 C ATOM 240 OG SER A 16 -1.957 -17.172 -1.429 1.00 0.00 O ATOM 0 H SER A 16 -0.835 -13.299 -1.082 1.00 0.00 H new ATOM 0 HA SER A 16 -2.614 -15.007 -2.487 1.00 0.00 H new ATOM 0 HB2 SER A 16 -1.521 -15.941 0.162 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.228 -16.180 -0.150 1.00 0.00 H new ATOM 0 HG SER A 16 -1.170 -16.982 -1.981 1.00 0.00 H new ATOM 246 N PHE A 17 -3.075 -12.484 -1.171 1.00 0.00 N ATOM 247 CA PHE A 17 -3.955 -11.436 -0.660 1.00 0.00 C ATOM 248 C PHE A 17 -3.887 -10.192 -1.536 1.00 0.00 C ATOM 249 O PHE A 17 -3.092 -10.122 -2.471 1.00 0.00 O ATOM 250 CB PHE A 17 -3.579 -11.077 0.780 1.00 0.00 C ATOM 251 CG PHE A 17 -3.463 -12.269 1.687 1.00 0.00 C ATOM 252 CD1 PHE A 17 -4.572 -12.749 2.366 1.00 0.00 C ATOM 253 CD2 PHE A 17 -2.247 -12.909 1.860 1.00 0.00 C ATOM 254 CE1 PHE A 17 -4.469 -13.846 3.201 1.00 0.00 C ATOM 255 CE2 PHE A 17 -2.138 -14.007 2.693 1.00 0.00 C ATOM 256 CZ PHE A 17 -3.250 -14.476 3.364 1.00 0.00 C ATOM 0 H PHE A 17 -2.312 -12.146 -1.758 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.976 -11.818 -0.678 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -2.630 -10.541 0.776 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.328 -10.396 1.183 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -5.527 -12.261 2.241 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -1.374 -12.546 1.338 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -5.340 -14.210 3.725 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -1.184 -14.497 2.819 1.00 0.00 H new ATOM 0 HZ PHE A 17 -3.167 -15.334 4.015 1.00 0.00 H new ATOM 266 N GLU A 18 -4.725 -9.210 -1.220 1.00 0.00 N ATOM 267 CA GLU A 18 -4.764 -7.960 -1.971 1.00 0.00 C ATOM 268 C GLU A 18 -4.591 -6.769 -1.032 1.00 0.00 C ATOM 269 O GLU A 18 -4.959 -6.838 0.140 1.00 0.00 O ATOM 270 CB GLU A 18 -6.085 -7.838 -2.732 1.00 0.00 C ATOM 271 CG GLU A 18 -6.330 -8.976 -3.709 1.00 0.00 C ATOM 272 CD GLU A 18 -7.796 -9.143 -4.053 1.00 0.00 C ATOM 273 OE1 GLU A 18 -8.572 -9.556 -3.165 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.171 -8.859 -5.211 1.00 0.00 O ATOM 0 H GLU A 18 -5.388 -9.256 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 18 -3.943 -7.964 -2.688 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -6.906 -7.802 -2.016 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -6.095 -6.894 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -5.765 -8.793 -4.623 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -5.953 -9.905 -3.281 1.00 0.00 H new ATOM 281 N ARG A 19 -4.024 -5.681 -1.546 1.00 0.00 N ATOM 282 CA ARG A 19 -3.807 -4.489 -0.733 1.00 0.00 C ATOM 283 C ARG A 19 -3.707 -3.234 -1.596 1.00 0.00 C ATOM 284 O ARG A 19 -3.626 -3.312 -2.821 1.00 0.00 O ATOM 285 CB ARG A 19 -2.537 -4.648 0.105 1.00 0.00 C ATOM 286 CG ARG A 19 -2.713 -5.558 1.309 1.00 0.00 C ATOM 287 CD ARG A 19 -1.915 -5.065 2.505 1.00 0.00 C ATOM 288 NE ARG A 19 -2.119 -5.904 3.683 1.00 0.00 N ATOM 289 CZ ARG A 19 -1.795 -5.537 4.920 1.00 0.00 C ATOM 290 NH1 ARG A 19 -1.252 -4.347 5.146 1.00 0.00 N ATOM 291 NH2 ARG A 19 -2.015 -6.362 5.935 1.00 0.00 N ATOM 0 H ARG A 19 -3.709 -5.600 -2.513 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.666 -4.376 -0.072 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -1.742 -5.045 -0.527 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -2.212 -3.665 0.447 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -3.769 -5.613 1.573 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -2.396 -6.569 1.051 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -0.855 -5.048 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.204 -4.040 2.736 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.534 -6.826 3.549 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -1.081 -3.709 4.369 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.006 -4.071 6.097 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.432 -7.277 5.767 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.767 -6.081 6.884 1.00 0.00 H new ATOM 305 N TRP A 20 -3.712 -2.078 -0.938 1.00 0.00 N ATOM 306 CA TRP A 20 -3.621 -0.797 -1.630 1.00 0.00 C ATOM 307 C TRP A 20 -2.312 -0.091 -1.286 1.00 0.00 C ATOM 308 O TRP A 20 -1.784 -0.242 -0.185 1.00 0.00 O ATOM 309 CB TRP A 20 -4.810 0.090 -1.260 1.00 0.00 C ATOM 310 CG TRP A 20 -6.124 -0.458 -1.724 1.00 0.00 C ATOM 311 CD1 TRP A 20 -6.928 -1.337 -1.055 1.00 0.00 C ATOM 312 CD2 TRP A 20 -6.788 -0.167 -2.958 1.00 0.00 C ATOM 313 NE1 TRP A 20 -8.049 -1.608 -1.798 1.00 0.00 N ATOM 314 CE2 TRP A 20 -7.987 -0.903 -2.969 1.00 0.00 C ATOM 315 CE3 TRP A 20 -6.486 0.645 -4.056 1.00 0.00 C ATOM 316 CZ2 TRP A 20 -8.882 -0.853 -4.033 1.00 0.00 C ATOM 317 CZ3 TRP A 20 -7.376 0.694 -5.113 1.00 0.00 C ATOM 318 CH2 TRP A 20 -8.562 -0.051 -5.094 1.00 0.00 C ATOM 0 H TRP A 20 -3.778 -2.003 0.077 1.00 0.00 H new ATOM 0 HA TRP A 20 -3.641 -0.985 -2.704 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -4.838 0.215 -0.178 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -4.664 1.080 -1.692 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -6.713 -1.757 -0.084 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -8.806 -2.234 -1.522 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -5.574 1.223 -4.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -9.797 -1.427 -4.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -7.153 1.317 -5.967 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -9.238 0.009 -5.934 1.00 0.00 H new ATOM 329 N TYR A 21 -1.788 0.668 -2.242 1.00 0.00 N ATOM 330 CA TYR A 21 -0.531 1.388 -2.050 1.00 0.00 C ATOM 331 C TYR A 21 -0.604 2.772 -2.688 1.00 0.00 C ATOM 332 O TYR A 21 -1.224 2.949 -3.737 1.00 0.00 O ATOM 333 CB TYR A 21 0.632 0.593 -2.658 1.00 0.00 C ATOM 334 CG TYR A 21 0.258 -0.124 -3.935 1.00 0.00 C ATOM 335 CD1 TYR A 21 -0.693 -1.134 -3.923 1.00 0.00 C ATOM 336 CD2 TYR A 21 0.825 0.227 -5.152 1.00 0.00 C ATOM 337 CE1 TYR A 21 -1.073 -1.769 -5.082 1.00 0.00 C ATOM 338 CE2 TYR A 21 0.456 -0.414 -6.321 1.00 0.00 C ATOM 339 CZ TYR A 21 -0.498 -1.410 -6.279 1.00 0.00 C ATOM 340 OH TYR A 21 -0.898 -2.029 -7.442 1.00 0.00 O ATOM 0 H TYR A 21 -2.214 0.802 -3.159 1.00 0.00 H new ATOM 0 HA TYR A 21 -0.361 1.505 -0.980 1.00 0.00 H new ATOM 0 HB2 TYR A 21 1.462 1.271 -2.859 1.00 0.00 H new ATOM 0 HB3 TYR A 21 0.986 -0.136 -1.929 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -1.143 -1.427 -2.986 1.00 0.00 H new ATOM 0 HD2 TYR A 21 1.565 1.012 -5.187 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -1.821 -2.548 -5.053 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.912 -0.137 -7.260 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.395 -1.660 -8.198 1.00 0.00 H new ATOM 350 N PHE A 22 0.028 3.749 -2.050 1.00 0.00 N ATOM 351 CA PHE A 22 0.027 5.116 -2.560 1.00 0.00 C ATOM 352 C PHE A 22 0.867 5.223 -3.830 1.00 0.00 C ATOM 353 O PHE A 22 2.070 4.962 -3.815 1.00 0.00 O ATOM 354 CB PHE A 22 0.558 6.080 -1.498 1.00 0.00 C ATOM 355 CG PHE A 22 -0.262 7.329 -1.363 1.00 0.00 C ATOM 356 CD1 PHE A 22 -1.462 7.312 -0.671 1.00 0.00 C ATOM 357 CD2 PHE A 22 0.164 8.520 -1.927 1.00 0.00 C ATOM 358 CE1 PHE A 22 -2.221 8.458 -0.543 1.00 0.00 C ATOM 359 CE2 PHE A 22 -0.591 9.670 -1.803 1.00 0.00 C ATOM 360 CZ PHE A 22 -1.786 9.639 -1.111 1.00 0.00 C ATOM 0 H PHE A 22 0.547 3.622 -1.181 1.00 0.00 H new ATOM 0 HA PHE A 22 -1.001 5.387 -2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 22 0.588 5.568 -0.536 1.00 0.00 H new ATOM 0 HB3 PHE A 22 1.584 6.353 -1.746 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -1.808 6.391 -0.226 1.00 0.00 H new ATOM 0 HD2 PHE A 22 1.097 8.550 -2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -3.154 8.431 0.001 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -0.247 10.593 -2.247 1.00 0.00 H new ATOM 0 HZ PHE A 22 -2.379 10.537 -1.014 1.00 0.00 H new ATOM 370 N ASN A 23 0.224 5.611 -4.926 1.00 0.00 N ATOM 371 CA ASN A 23 0.909 5.754 -6.205 1.00 0.00 C ATOM 372 C ASN A 23 1.167 7.223 -6.525 1.00 0.00 C ATOM 373 O ASN A 23 0.767 7.721 -7.579 1.00 0.00 O ATOM 374 CB ASN A 23 0.089 5.107 -7.322 1.00 0.00 C ATOM 375 CG ASN A 23 0.957 4.383 -8.331 1.00 0.00 C ATOM 376 OD1 ASN A 23 1.706 3.469 -7.983 1.00 0.00 O ATOM 377 ND2 ASN A 23 0.862 4.789 -9.592 1.00 0.00 N ATOM 0 H ASN A 23 -0.771 5.832 -4.954 1.00 0.00 H new ATOM 0 HA ASN A 23 1.871 5.246 -6.133 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.621 4.404 -6.887 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.494 5.874 -7.832 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.423 4.340 -10.316 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.228 5.550 -9.836 1.00 0.00 H new ATOM 384 N GLY A 24 1.837 7.913 -5.608 1.00 0.00 N ATOM 385 CA GLY A 24 2.140 9.317 -5.808 1.00 0.00 C ATOM 386 C GLY A 24 0.908 10.197 -5.749 1.00 0.00 C ATOM 387 O GLY A 24 0.654 10.854 -4.740 1.00 0.00 O ATOM 0 H GLY A 24 2.176 7.523 -4.728 1.00 0.00 H new ATOM 0 HA2 GLY A 24 2.850 9.643 -5.048 1.00 0.00 H new ATOM 0 HA3 GLY A 24 2.627 9.445 -6.775 1.00 0.00 H new ATOM 391 N ARG A 25 0.142 10.212 -6.835 1.00 0.00 N ATOM 392 CA ARG A 25 -1.068 11.021 -6.907 1.00 0.00 C ATOM 393 C ARG A 25 -2.292 10.214 -6.482 1.00 0.00 C ATOM 394 O ARG A 25 -3.096 10.668 -5.669 1.00 0.00 O ATOM 395 CB ARG A 25 -1.261 11.557 -8.329 1.00 0.00 C ATOM 396 CG ARG A 25 -2.577 12.291 -8.536 1.00 0.00 C ATOM 397 CD ARG A 25 -3.674 11.345 -8.997 1.00 0.00 C ATOM 398 NE ARG A 25 -4.794 12.058 -9.607 1.00 0.00 N ATOM 399 CZ ARG A 25 -4.775 12.553 -10.841 1.00 0.00 C ATOM 400 NH1 ARG A 25 -3.694 12.420 -11.600 1.00 0.00 N ATOM 401 NH2 ARG A 25 -5.838 13.185 -11.319 1.00 0.00 N ATOM 0 H ARG A 25 0.339 9.672 -7.678 1.00 0.00 H new ATOM 0 HA ARG A 25 -0.956 11.860 -6.220 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.438 12.231 -8.568 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -1.205 10.725 -9.031 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -2.877 12.772 -7.605 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.442 13.081 -9.274 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.262 10.636 -9.715 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.034 10.766 -8.147 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.641 12.184 -9.053 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -2.873 11.936 -11.237 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -3.685 12.802 -12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -6.671 13.292 -10.740 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -5.823 13.564 -12.266 1.00 0.00 H new ATOM 415 N THR A 26 -2.428 9.017 -7.043 1.00 0.00 N ATOM 416 CA THR A 26 -3.557 8.149 -6.727 1.00 0.00 C ATOM 417 C THR A 26 -3.079 6.829 -6.134 1.00 0.00 C ATOM 418 O THR A 26 -1.881 6.552 -6.097 1.00 0.00 O ATOM 419 CB THR A 26 -4.389 7.887 -7.985 1.00 0.00 C ATOM 420 OG1 THR A 26 -5.514 7.077 -7.686 1.00 0.00 O ATOM 421 CG2 THR A 26 -3.607 7.206 -9.087 1.00 0.00 C ATOM 0 H THR A 26 -1.771 8.626 -7.718 1.00 0.00 H new ATOM 0 HA THR A 26 -4.178 8.653 -5.986 1.00 0.00 H new ATOM 0 HB THR A 26 -4.698 8.871 -8.337 1.00 0.00 H new ATOM 0 HG1 THR A 26 -6.033 6.923 -8.503 1.00 0.00 H new ATOM 0 HG21 THR A 26 -4.255 7.049 -9.950 1.00 0.00 H new ATOM 0 HG22 THR A 26 -2.764 7.833 -9.376 1.00 0.00 H new ATOM 0 HG23 THR A 26 -3.239 6.244 -8.731 1.00 0.00 H new ATOM 429 N CYS A 27 -4.023 6.016 -5.671 1.00 0.00 N ATOM 430 CA CYS A 27 -3.695 4.726 -5.081 1.00 0.00 C ATOM 431 C CYS A 27 -3.668 3.634 -6.147 1.00 0.00 C ATOM 432 O CYS A 27 -4.022 3.871 -7.302 1.00 0.00 O ATOM 433 CB CYS A 27 -4.702 4.367 -3.986 1.00 0.00 C ATOM 434 SG CYS A 27 -3.979 3.455 -2.584 1.00 0.00 S ATOM 0 H CYS A 27 -5.020 6.229 -5.694 1.00 0.00 H new ATOM 0 HA CYS A 27 -2.703 4.799 -4.636 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -5.159 5.283 -3.613 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -5.500 3.767 -4.423 1.00 0.00 H new ATOM 439 N ALA A 28 -3.229 2.443 -5.754 1.00 0.00 N ATOM 440 CA ALA A 28 -3.137 1.316 -6.676 1.00 0.00 C ATOM 441 C ALA A 28 -3.538 0.009 -5.992 1.00 0.00 C ATOM 442 O ALA A 28 -3.846 -0.004 -4.799 1.00 0.00 O ATOM 443 CB ALA A 28 -1.739 1.229 -7.260 1.00 0.00 C ATOM 0 H ALA A 28 -2.931 2.233 -4.802 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.839 1.481 -7.494 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.683 0.384 -7.946 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -1.512 2.149 -7.798 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.017 1.091 -6.456 1.00 0.00 H new ATOM 449 N LYS A 29 -3.557 -1.083 -6.753 1.00 0.00 N ATOM 450 CA LYS A 29 -3.950 -2.382 -6.212 1.00 0.00 C ATOM 451 C LYS A 29 -3.089 -3.509 -6.774 1.00 0.00 C ATOM 452 O LYS A 29 -2.751 -3.523 -7.958 1.00 0.00 O ATOM 453 CB LYS A 29 -5.425 -2.651 -6.516 1.00 0.00 C ATOM 454 CG LYS A 29 -6.322 -2.555 -5.293 1.00 0.00 C ATOM 455 CD LYS A 29 -6.394 -3.880 -4.551 1.00 0.00 C ATOM 456 CE LYS A 29 -7.813 -4.193 -4.110 1.00 0.00 C ATOM 457 NZ LYS A 29 -7.842 -5.132 -2.955 1.00 0.00 N ATOM 0 H LYS A 29 -3.306 -1.095 -7.742 1.00 0.00 H new ATOM 0 HA LYS A 29 -3.799 -2.353 -5.133 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.769 -1.939 -7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.523 -3.645 -6.952 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.945 -1.782 -4.624 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -7.324 -2.252 -5.598 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -6.027 -4.679 -5.195 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -5.740 -3.847 -3.680 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -8.321 -3.268 -3.838 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -8.365 -4.626 -4.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -8.595 -4.848 -2.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -8.026 -6.097 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -6.925 -5.108 -2.465 1.00 0.00 H new ATOM 471 N PHE A 30 -2.738 -4.452 -5.905 1.00 0.00 N ATOM 472 CA PHE A 30 -1.914 -5.590 -6.289 1.00 0.00 C ATOM 473 C PHE A 30 -2.109 -6.753 -5.322 1.00 0.00 C ATOM 474 O PHE A 30 -2.828 -6.632 -4.330 1.00 0.00 O ATOM 475 CB PHE A 30 -0.431 -5.193 -6.351 1.00 0.00 C ATOM 476 CG PHE A 30 0.104 -4.512 -5.112 1.00 0.00 C ATOM 477 CD1 PHE A 30 -0.626 -4.474 -3.930 1.00 0.00 C ATOM 478 CD2 PHE A 30 1.353 -3.909 -5.136 1.00 0.00 C ATOM 479 CE1 PHE A 30 -0.120 -3.851 -2.805 1.00 0.00 C ATOM 480 CE2 PHE A 30 1.863 -3.286 -4.012 1.00 0.00 C ATOM 481 CZ PHE A 30 1.125 -3.256 -2.846 1.00 0.00 C ATOM 0 H PHE A 30 -3.015 -4.448 -4.923 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.229 -5.911 -7.282 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.161 -6.089 -6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.284 -4.530 -7.203 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.601 -4.937 -3.890 1.00 0.00 H new ATOM 0 HD2 PHE A 30 1.935 -3.926 -6.045 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.699 -3.830 -1.893 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.838 -2.823 -4.046 1.00 0.00 H new ATOM 0 HZ PHE A 30 1.521 -2.768 -1.968 1.00 0.00 H new ATOM 491 N ILE A 31 -1.467 -7.879 -5.612 1.00 0.00 N ATOM 492 CA ILE A 31 -1.577 -9.049 -4.755 1.00 0.00 C ATOM 493 C ILE A 31 -0.501 -9.005 -3.679 1.00 0.00 C ATOM 494 O ILE A 31 0.686 -9.142 -3.972 1.00 0.00 O ATOM 495 CB ILE A 31 -1.437 -10.353 -5.565 1.00 0.00 C ATOM 496 CG1 ILE A 31 -2.470 -10.390 -6.694 1.00 0.00 C ATOM 497 CG2 ILE A 31 -1.593 -11.566 -4.659 1.00 0.00 C ATOM 498 CD1 ILE A 31 -3.900 -10.444 -6.203 1.00 0.00 C ATOM 0 H ILE A 31 -0.869 -8.004 -6.429 1.00 0.00 H new ATOM 0 HA ILE A 31 -2.564 -9.035 -4.294 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.440 -10.381 -6.005 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -2.343 -9.508 -7.321 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.277 -11.259 -7.323 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.491 -12.477 -5.249 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.823 -11.545 -3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -2.577 -11.546 -4.190 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.577 -10.468 -7.057 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.044 -11.341 -5.600 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.110 -9.562 -5.598 1.00 0.00 H new ATOM 510 N TYR A 32 -0.925 -8.790 -2.437 1.00 0.00 N ATOM 511 CA TYR A 32 0.003 -8.697 -1.316 1.00 0.00 C ATOM 512 C TYR A 32 0.272 -10.059 -0.690 1.00 0.00 C ATOM 513 O TYR A 32 -0.648 -10.752 -0.255 1.00 0.00 O ATOM 514 CB TYR A 32 -0.546 -7.743 -0.256 1.00 0.00 C ATOM 515 CG TYR A 32 0.456 -7.394 0.821 1.00 0.00 C ATOM 516 CD1 TYR A 32 1.456 -6.459 0.588 1.00 0.00 C ATOM 517 CD2 TYR A 32 0.404 -8.001 2.070 1.00 0.00 C ATOM 518 CE1 TYR A 32 2.375 -6.138 1.568 1.00 0.00 C ATOM 519 CE2 TYR A 32 1.319 -7.684 3.056 1.00 0.00 C ATOM 520 CZ TYR A 32 2.303 -6.753 2.800 1.00 0.00 C ATOM 521 OH TYR A 32 3.217 -6.436 3.778 1.00 0.00 O ATOM 0 H TYR A 32 -1.906 -8.677 -2.182 1.00 0.00 H new ATOM 0 HA TYR A 32 0.947 -8.312 -1.703 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -0.879 -6.826 -0.742 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -1.423 -8.194 0.208 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.516 -5.975 -0.375 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.364 -8.732 2.273 1.00 0.00 H new ATOM 0 HE1 TYR A 32 3.146 -5.409 1.370 1.00 0.00 H new ATOM 0 HE2 TYR A 32 1.263 -8.163 4.022 1.00 0.00 H new ATOM 0 HH TYR A 32 3.791 -7.211 3.953 1.00 0.00 H new ATOM 531 N GLY A 33 1.547 -10.427 -0.644 1.00 0.00 N ATOM 532 CA GLY A 33 1.937 -11.694 -0.061 1.00 0.00 C ATOM 533 C GLY A 33 2.265 -11.562 1.412 1.00 0.00 C ATOM 534 O GLY A 33 1.708 -12.277 2.244 1.00 0.00 O ATOM 0 H GLY A 33 2.320 -9.866 -1.002 1.00 0.00 H new ATOM 0 HA2 GLY A 33 1.131 -12.416 -0.190 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.804 -12.086 -0.592 1.00 0.00 H new ATOM 538 N GLY A 34 3.164 -10.636 1.738 1.00 0.00 N ATOM 539 CA GLY A 34 3.534 -10.428 3.124 1.00 0.00 C ATOM 540 C GLY A 34 4.883 -9.753 3.293 1.00 0.00 C ATOM 541 O GLY A 34 5.132 -9.113 4.314 1.00 0.00 O ATOM 0 H GLY A 34 3.639 -10.030 1.069 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.769 -9.822 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.551 -11.390 3.636 1.00 0.00 H new ATOM 545 N CYS A 35 5.761 -9.891 2.302 1.00 0.00 N ATOM 546 CA CYS A 35 7.086 -9.280 2.380 1.00 0.00 C ATOM 547 C CYS A 35 7.239 -8.129 1.386 1.00 0.00 C ATOM 548 O CYS A 35 6.560 -8.075 0.358 1.00 0.00 O ATOM 549 CB CYS A 35 8.190 -10.327 2.164 1.00 0.00 C ATOM 550 SG CYS A 35 7.856 -11.544 0.847 1.00 0.00 S ATOM 0 H CYS A 35 5.582 -10.414 1.445 1.00 0.00 H new ATOM 0 HA CYS A 35 7.191 -8.868 3.384 1.00 0.00 H new ATOM 0 HB2 CYS A 35 9.120 -9.809 1.931 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.350 -10.862 3.100 1.00 0.00 H new ATOM 555 N GLY A 36 8.143 -7.206 1.701 1.00 0.00 N ATOM 556 CA GLY A 36 8.376 -6.072 0.830 1.00 0.00 C ATOM 557 C GLY A 36 7.733 -4.796 1.341 1.00 0.00 C ATOM 558 O GLY A 36 8.370 -3.743 1.373 1.00 0.00 O ATOM 0 H GLY A 36 8.717 -7.225 2.544 1.00 0.00 H new ATOM 0 HA2 GLY A 36 9.450 -5.915 0.724 1.00 0.00 H new ATOM 0 HA3 GLY A 36 7.987 -6.297 -0.163 1.00 0.00 H new ATOM 562 N GLY A 37 6.468 -4.889 1.739 1.00 0.00 N ATOM 563 CA GLY A 37 5.763 -3.727 2.242 1.00 0.00 C ATOM 564 C GLY A 37 6.430 -3.129 3.463 1.00 0.00 C ATOM 565 O GLY A 37 7.342 -3.726 4.036 1.00 0.00 O ATOM 0 H GLY A 37 5.920 -5.749 1.722 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.705 -2.973 1.457 1.00 0.00 H new ATOM 0 HA3 GLY A 37 4.739 -4.007 2.491 1.00 0.00 H new ATOM 569 N ASN A 38 5.977 -1.946 3.863 1.00 0.00 N ATOM 570 CA ASN A 38 6.538 -1.267 5.026 1.00 0.00 C ATOM 571 C ASN A 38 5.590 -0.186 5.536 1.00 0.00 C ATOM 572 O ASN A 38 5.018 -0.309 6.618 1.00 0.00 O ATOM 573 CB ASN A 38 7.900 -0.653 4.685 1.00 0.00 C ATOM 574 CG ASN A 38 7.975 -0.144 3.257 1.00 0.00 C ATOM 575 OD1 ASN A 38 7.007 0.404 2.730 1.00 0.00 O ATOM 576 ND2 ASN A 38 9.129 -0.322 2.625 1.00 0.00 N ATOM 0 H ASN A 38 5.224 -1.438 3.400 1.00 0.00 H new ATOM 0 HA ASN A 38 6.673 -2.008 5.814 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.104 0.170 5.370 1.00 0.00 H new ATOM 0 HB3 ASN A 38 8.679 -1.399 4.841 1.00 0.00 H new ATOM 0 HD21 ASN A 38 9.239 0.001 1.664 1.00 0.00 H new ATOM 0 HD22 ASN A 38 9.905 -0.782 3.101 1.00 0.00 H new ATOM 583 N GLY A 39 5.429 0.874 4.749 1.00 0.00 N ATOM 584 CA GLY A 39 4.551 1.961 5.144 1.00 0.00 C ATOM 585 C GLY A 39 3.716 2.505 3.996 1.00 0.00 C ATOM 586 O GLY A 39 2.840 3.344 4.207 1.00 0.00 O ATOM 0 H GLY A 39 5.889 0.999 3.847 1.00 0.00 H new ATOM 0 HA2 GLY A 39 3.886 1.613 5.935 1.00 0.00 H new ATOM 0 HA3 GLY A 39 5.150 2.769 5.563 1.00 0.00 H new ATOM 590 N ASN A 40 3.984 2.034 2.781 1.00 0.00 N ATOM 591 CA ASN A 40 3.246 2.489 1.606 1.00 0.00 C ATOM 592 C ASN A 40 2.068 1.563 1.307 1.00 0.00 C ATOM 593 O ASN A 40 1.116 1.955 0.629 1.00 0.00 O ATOM 594 CB ASN A 40 4.179 2.561 0.395 1.00 0.00 C ATOM 595 CG ASN A 40 3.475 3.046 -0.856 1.00 0.00 C ATOM 596 OD1 ASN A 40 3.087 2.249 -1.712 1.00 0.00 O ATOM 597 ND2 ASN A 40 3.306 4.357 -0.969 1.00 0.00 N ATOM 0 H ASN A 40 4.705 1.339 2.584 1.00 0.00 H new ATOM 0 HA ASN A 40 2.853 3.484 1.814 1.00 0.00 H new ATOM 0 HB2 ASN A 40 5.011 3.228 0.621 1.00 0.00 H new ATOM 0 HB3 ASN A 40 4.603 1.574 0.209 1.00 0.00 H new ATOM 0 HD21 ASN A 40 2.838 4.742 -1.790 1.00 0.00 H new ATOM 0 HD22 ASN A 40 3.644 4.980 -0.235 1.00 0.00 H new ATOM 604 N LYS A 41 2.136 0.336 1.816 1.00 0.00 N ATOM 605 CA LYS A 41 1.075 -0.641 1.603 1.00 0.00 C ATOM 606 C LYS A 41 -0.074 -0.419 2.582 1.00 0.00 C ATOM 607 O LYS A 41 0.102 0.205 3.628 1.00 0.00 O ATOM 608 CB LYS A 41 1.623 -2.061 1.756 1.00 0.00 C ATOM 609 CG LYS A 41 2.423 -2.272 3.033 1.00 0.00 C ATOM 610 CD LYS A 41 1.861 -3.411 3.867 1.00 0.00 C ATOM 611 CE LYS A 41 2.594 -3.546 5.191 1.00 0.00 C ATOM 612 NZ LYS A 41 2.407 -4.895 5.796 1.00 0.00 N ATOM 0 H LYS A 41 2.915 -0.005 2.379 1.00 0.00 H new ATOM 0 HA LYS A 41 0.695 -0.512 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 41 0.792 -2.766 1.737 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.256 -2.291 0.899 1.00 0.00 H new ATOM 0 HG2 LYS A 41 3.462 -2.484 2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 41 2.419 -1.354 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 41 0.801 -3.239 4.053 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.939 -4.344 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 41 3.657 -3.361 5.038 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.235 -2.785 5.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.121 -5.045 6.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 1.456 -4.960 6.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 2.514 -5.623 5.061 1.00 0.00 H new ATOM 626 N PHE A 42 -1.250 -0.933 2.233 1.00 0.00 N ATOM 627 CA PHE A 42 -2.430 -0.792 3.080 1.00 0.00 C ATOM 628 C PHE A 42 -3.453 -1.883 2.772 1.00 0.00 C ATOM 629 O PHE A 42 -3.562 -2.338 1.635 1.00 0.00 O ATOM 630 CB PHE A 42 -3.064 0.587 2.880 1.00 0.00 C ATOM 631 CG PHE A 42 -2.100 1.725 3.059 1.00 0.00 C ATOM 632 CD1 PHE A 42 -1.736 2.149 4.327 1.00 0.00 C ATOM 633 CD2 PHE A 42 -1.558 2.370 1.959 1.00 0.00 C ATOM 634 CE1 PHE A 42 -0.849 3.195 4.495 1.00 0.00 C ATOM 635 CE2 PHE A 42 -0.671 3.418 2.120 1.00 0.00 C ATOM 636 CZ PHE A 42 -0.315 3.830 3.390 1.00 0.00 C ATOM 0 H PHE A 42 -1.411 -1.451 1.369 1.00 0.00 H new ATOM 0 HA PHE A 42 -2.116 -0.894 4.119 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -3.492 0.639 1.879 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -3.887 0.705 3.585 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -2.150 1.656 5.194 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -1.832 2.050 0.964 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -0.573 3.516 5.489 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -0.257 3.914 1.255 1.00 0.00 H new ATOM 0 HZ PHE A 42 0.379 4.647 3.519 1.00 0.00 H new ATOM 646 N PRO A 43 -4.221 -2.317 3.786 1.00 0.00 N ATOM 647 CA PRO A 43 -5.239 -3.360 3.615 1.00 0.00 C ATOM 648 C PRO A 43 -6.454 -2.863 2.840 1.00 0.00 C ATOM 649 O PRO A 43 -7.070 -3.613 2.083 1.00 0.00 O ATOM 650 CB PRO A 43 -5.627 -3.710 5.052 1.00 0.00 C ATOM 651 CG PRO A 43 -5.352 -2.469 5.829 1.00 0.00 C ATOM 652 CD PRO A 43 -4.159 -1.827 5.176 1.00 0.00 C ATOM 0 HA PRO A 43 -4.865 -4.207 3.040 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.677 -3.996 5.121 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.042 -4.550 5.427 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.212 -1.800 5.813 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -5.147 -2.700 6.874 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.214 -0.739 5.221 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.229 -2.119 5.663 1.00 0.00 H new ATOM 660 N THR A 44 -6.795 -1.591 3.034 1.00 0.00 N ATOM 661 CA THR A 44 -7.940 -0.995 2.352 1.00 0.00 C ATOM 662 C THR A 44 -7.574 0.358 1.750 1.00 0.00 C ATOM 663 O THR A 44 -6.496 0.893 2.009 1.00 0.00 O ATOM 664 CB THR A 44 -9.110 -0.832 3.324 1.00 0.00 C ATOM 665 OG1 THR A 44 -8.649 -0.433 4.601 1.00 0.00 O ATOM 666 CG2 THR A 44 -9.920 -2.097 3.502 1.00 0.00 C ATOM 0 H THR A 44 -6.296 -0.955 3.656 1.00 0.00 H new ATOM 0 HA THR A 44 -8.236 -1.663 1.544 1.00 0.00 H new ATOM 0 HB THR A 44 -9.750 -0.070 2.880 1.00 0.00 H new ATOM 0 HG1 THR A 44 -9.412 -0.333 5.208 1.00 0.00 H new ATOM 0 HG21 THR A 44 -10.734 -1.912 4.204 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.332 -2.403 2.541 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.279 -2.888 3.890 1.00 0.00 H new ATOM 674 N GLN A 45 -8.481 0.906 0.948 1.00 0.00 N ATOM 675 CA GLN A 45 -8.256 2.198 0.310 1.00 0.00 C ATOM 676 C GLN A 45 -8.394 3.333 1.319 1.00 0.00 C ATOM 677 O GLN A 45 -7.732 4.365 1.203 1.00 0.00 O ATOM 678 CB GLN A 45 -9.244 2.400 -0.840 1.00 0.00 C ATOM 679 CG GLN A 45 -8.708 3.283 -1.955 1.00 0.00 C ATOM 680 CD GLN A 45 -9.811 3.917 -2.778 1.00 0.00 C ATOM 681 OE1 GLN A 45 -10.894 4.207 -2.268 1.00 0.00 O ATOM 682 NE2 GLN A 45 -9.542 4.138 -4.060 1.00 0.00 N ATOM 0 H GLN A 45 -9.378 0.476 0.724 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.241 2.209 -0.086 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.510 1.428 -1.254 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.160 2.841 -0.447 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.085 4.067 -1.525 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.068 2.689 -2.608 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -8.631 3.882 -4.441 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.246 4.564 -4.663 1.00 0.00 H new ATOM 691 N GLU A 46 -9.258 3.137 2.309 1.00 0.00 N ATOM 692 CA GLU A 46 -9.482 4.144 3.339 1.00 0.00 C ATOM 693 C GLU A 46 -8.178 4.503 4.042 1.00 0.00 C ATOM 694 O GLU A 46 -7.946 5.661 4.389 1.00 0.00 O ATOM 695 CB GLU A 46 -10.505 3.642 4.360 1.00 0.00 C ATOM 696 CG GLU A 46 -10.155 2.287 4.954 1.00 0.00 C ATOM 697 CD GLU A 46 -9.618 2.390 6.368 1.00 0.00 C ATOM 698 OE1 GLU A 46 -10.066 3.291 7.108 1.00 0.00 O ATOM 699 OE2 GLU A 46 -8.749 1.571 6.735 1.00 0.00 O ATOM 0 H GLU A 46 -9.815 2.290 2.420 1.00 0.00 H new ATOM 0 HA GLU A 46 -9.872 5.040 2.856 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -10.591 4.372 5.165 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -11.483 3.579 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -11.042 1.654 4.952 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -9.413 1.799 4.322 1.00 0.00 H new ATOM 706 N ALA A 47 -7.327 3.502 4.247 1.00 0.00 N ATOM 707 CA ALA A 47 -6.044 3.712 4.906 1.00 0.00 C ATOM 708 C ALA A 47 -5.033 4.337 3.950 1.00 0.00 C ATOM 709 O ALA A 47 -4.114 5.038 4.374 1.00 0.00 O ATOM 710 CB ALA A 47 -5.512 2.396 5.454 1.00 0.00 C ATOM 0 H ALA A 47 -7.504 2.538 3.966 1.00 0.00 H new ATOM 0 HA ALA A 47 -6.196 4.403 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -4.553 2.567 5.944 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -6.221 1.989 6.175 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -5.380 1.688 4.636 1.00 0.00 H new ATOM 716 N CYS A 48 -5.211 4.080 2.657 1.00 0.00 N ATOM 717 CA CYS A 48 -4.315 4.617 1.638 1.00 0.00 C ATOM 718 C CYS A 48 -4.229 6.139 1.732 1.00 0.00 C ATOM 719 O CYS A 48 -3.139 6.709 1.740 1.00 0.00 O ATOM 720 CB CYS A 48 -4.797 4.203 0.244 1.00 0.00 C ATOM 721 SG CYS A 48 -3.787 4.856 -1.127 1.00 0.00 S ATOM 0 H CYS A 48 -5.968 3.503 2.290 1.00 0.00 H new ATOM 0 HA CYS A 48 -3.319 4.208 1.809 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -4.808 3.115 0.185 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.826 4.539 0.114 1.00 0.00 H new ATOM 726 N MET A 49 -5.387 6.789 1.796 1.00 0.00 N ATOM 727 CA MET A 49 -5.442 8.245 1.880 1.00 0.00 C ATOM 728 C MET A 49 -5.432 8.723 3.330 1.00 0.00 C ATOM 729 O MET A 49 -4.993 9.833 3.623 1.00 0.00 O ATOM 730 CB MET A 49 -6.691 8.770 1.170 1.00 0.00 C ATOM 731 CG MET A 49 -6.994 8.059 -0.141 1.00 0.00 C ATOM 732 SD MET A 49 -8.622 7.282 -0.153 1.00 0.00 S ATOM 733 CE MET A 49 -9.676 8.714 -0.369 1.00 0.00 C ATOM 0 H MET A 49 -6.299 6.332 1.791 1.00 0.00 H new ATOM 0 HA MET A 49 -4.553 8.638 1.387 1.00 0.00 H new ATOM 0 HB2 MET A 49 -7.548 8.666 1.836 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.567 9.835 0.975 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.932 8.775 -0.960 1.00 0.00 H new ATOM 0 HG3 MET A 49 -6.233 7.300 -0.322 1.00 0.00 H new ATOM 0 HE1 MET A 49 -10.719 8.398 -0.396 1.00 0.00 H new ATOM 0 HE2 MET A 49 -9.528 9.404 0.462 1.00 0.00 H new ATOM 0 HE3 MET A 49 -9.424 9.214 -1.304 1.00 0.00 H new ATOM 743 N LYS A 50 -5.924 7.884 4.236 1.00 0.00 N ATOM 744 CA LYS A 50 -5.974 8.237 5.650 1.00 0.00 C ATOM 745 C LYS A 50 -4.577 8.276 6.266 1.00 0.00 C ATOM 746 O LYS A 50 -4.358 8.930 7.285 1.00 0.00 O ATOM 747 CB LYS A 50 -6.850 7.241 6.414 1.00 0.00 C ATOM 748 CG LYS A 50 -7.007 7.572 7.891 1.00 0.00 C ATOM 749 CD LYS A 50 -6.909 6.326 8.757 1.00 0.00 C ATOM 750 CE LYS A 50 -8.095 5.401 8.538 1.00 0.00 C ATOM 751 NZ LYS A 50 -8.219 4.389 9.622 1.00 0.00 N ATOM 0 H LYS A 50 -6.292 6.958 4.017 1.00 0.00 H new ATOM 0 HA LYS A 50 -6.407 9.234 5.727 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.836 7.209 5.951 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.420 6.244 6.318 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.237 8.284 8.189 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.970 8.056 8.056 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -5.985 5.795 8.529 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -6.860 6.614 9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.010 5.991 8.486 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.987 4.894 7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -9.040 3.778 9.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -7.356 3.809 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -8.348 4.871 10.534 1.00 0.00 H new ATOM 765 N ARG A 51 -3.634 7.568 5.652 1.00 0.00 N ATOM 766 CA ARG A 51 -2.268 7.526 6.161 1.00 0.00 C ATOM 767 C ARG A 51 -1.328 8.398 5.331 1.00 0.00 C ATOM 768 O ARG A 51 -0.331 8.906 5.842 1.00 0.00 O ATOM 769 CB ARG A 51 -1.756 6.084 6.183 1.00 0.00 C ATOM 770 CG ARG A 51 -0.791 5.798 7.322 1.00 0.00 C ATOM 771 CD ARG A 51 -1.495 5.821 8.669 1.00 0.00 C ATOM 772 NE ARG A 51 -2.312 4.628 8.883 1.00 0.00 N ATOM 773 CZ ARG A 51 -1.825 3.458 9.293 1.00 0.00 C ATOM 774 NH1 ARG A 51 -0.526 3.316 9.527 1.00 0.00 N ATOM 775 NH2 ARG A 51 -2.640 2.426 9.467 1.00 0.00 N ATOM 0 H ARG A 51 -3.789 7.019 4.807 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.283 7.922 7.176 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.606 5.407 6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.261 5.869 5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.326 4.824 7.170 1.00 0.00 H new ATOM 0 HG3 ARG A 51 0.010 6.538 7.316 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -0.753 5.899 9.464 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.125 6.708 8.733 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.315 4.695 8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.106 4.106 9.393 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.160 2.417 9.841 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.639 2.529 9.287 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.268 1.530 9.781 1.00 0.00 H new ATOM 789 N CYS A 52 -1.641 8.564 4.049 1.00 0.00 N ATOM 790 CA CYS A 52 -0.805 9.372 3.165 1.00 0.00 C ATOM 791 C CYS A 52 -1.477 10.696 2.809 1.00 0.00 C ATOM 792 O CYS A 52 -0.817 11.732 2.727 1.00 0.00 O ATOM 793 CB CYS A 52 -0.476 8.594 1.889 1.00 0.00 C ATOM 794 SG CYS A 52 1.165 7.801 1.905 1.00 0.00 S ATOM 0 H CYS A 52 -2.461 8.154 3.601 1.00 0.00 H new ATOM 0 HA CYS A 52 0.118 9.597 3.699 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -1.237 7.828 1.737 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.532 9.272 1.038 1.00 0.00 H new ATOM 799 N ALA A 53 -2.788 10.660 2.599 1.00 0.00 N ATOM 800 CA ALA A 53 -3.536 11.863 2.251 1.00 0.00 C ATOM 801 C ALA A 53 -3.891 12.669 3.495 1.00 0.00 C ATOM 802 O ALA A 53 -4.077 13.883 3.426 1.00 0.00 O ATOM 803 CB ALA A 53 -4.794 11.502 1.476 1.00 0.00 C ATOM 0 H ALA A 53 -3.354 9.814 2.663 1.00 0.00 H new ATOM 0 HA ALA A 53 -2.901 12.482 1.618 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -5.340 12.411 1.225 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -4.520 10.979 0.560 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -5.425 10.857 2.087 1.00 0.00 H new ATOM 809 N LYS A 54 -3.983 11.987 4.633 1.00 0.00 N ATOM 810 CA LYS A 54 -4.315 12.645 5.889 1.00 0.00 C ATOM 811 C LYS A 54 -3.069 13.236 6.539 1.00 0.00 C ATOM 812 O LYS A 54 -2.969 14.450 6.722 1.00 0.00 O ATOM 813 CB LYS A 54 -4.985 11.658 6.847 1.00 0.00 C ATOM 814 CG LYS A 54 -5.964 12.312 7.809 1.00 0.00 C ATOM 815 CD LYS A 54 -5.301 13.425 8.606 1.00 0.00 C ATOM 816 CE LYS A 54 -6.279 14.079 9.569 1.00 0.00 C ATOM 817 NZ LYS A 54 -5.583 14.915 10.586 1.00 0.00 N ATOM 0 H LYS A 54 -3.832 10.981 4.710 1.00 0.00 H new ATOM 0 HA LYS A 54 -5.010 13.456 5.672 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -5.511 10.901 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.215 11.142 7.421 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.809 12.716 7.251 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -6.362 11.561 8.492 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.455 13.021 9.163 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -4.904 14.176 7.923 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -6.981 14.698 9.009 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -6.864 13.308 10.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -6.285 15.343 11.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -4.932 14.320 11.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -5.045 15.666 10.109 1.00 0.00 H new ATOM 831 N ALA A 55 -2.122 12.371 6.887 1.00 0.00 N ATOM 832 CA ALA A 55 -0.882 12.808 7.516 1.00 0.00 C ATOM 833 C ALA A 55 0.076 13.402 6.490 1.00 0.00 C ATOM 834 O ALA A 55 0.555 12.644 5.620 1.00 0.00 O ATOM 835 CB ALA A 55 -0.224 11.646 8.246 1.00 0.00 C ATOM 836 OXT ALA A 55 0.339 14.620 6.563 1.00 0.00 O ATOM 0 H ALA A 55 -2.190 11.363 6.744 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.125 13.587 8.239 1.00 0.00 H new ATOM 0 HB1 ALA A 55 0.701 11.986 8.711 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.900 11.269 9.014 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -0.002 10.849 7.536 1.00 0.00 H new TER 842 ALA A 55