USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 269 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 7 LYS NZ :NH3+ 143:sc= 1.07 (180deg=0.33) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.311 X(o=-0.31,f=-0.47) USER MOD Single : A 15 HIS : no HD1:sc= -0.536 K(o=-0.54,f=-1.3) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0.168 USER MOD Single : A 37 LYS NZ :NH3+ -125:sc= -0.255 (180deg=-1.81!) USER MOD ----------------------------------------------------------------- ATOM 39 N CYS A 4 -3.372 -4.769 -5.103 1.00 0.00 N ATOM 40 CA CYS A 4 -4.547 -5.600 -4.872 1.00 0.00 C ATOM 41 C CYS A 4 -5.653 -4.800 -4.190 1.00 0.00 C ATOM 42 O CYS A 4 -5.400 -3.749 -3.601 1.00 0.00 O ATOM 43 CB CYS A 4 -4.179 -6.814 -4.016 1.00 0.00 C ATOM 44 SG CYS A 4 -3.602 -6.395 -2.340 1.00 0.00 S ATOM 0 HA CYS A 4 -4.914 -5.943 -5.839 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.049 -7.466 -3.937 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.400 -7.382 -4.525 1.00 0.00 H new ATOM 49 N ILE A 5 -6.879 -5.306 -4.273 1.00 0.00 N ATOM 50 CA ILE A 5 -8.023 -4.640 -3.663 1.00 0.00 C ATOM 51 C ILE A 5 -8.186 -5.053 -2.204 1.00 0.00 C ATOM 52 O ILE A 5 -8.222 -6.236 -1.869 1.00 0.00 O ATOM 53 CB ILE A 5 -9.326 -4.952 -4.422 1.00 0.00 C ATOM 54 CG1 ILE A 5 -9.156 -4.661 -5.914 1.00 0.00 C ATOM 55 CG2 ILE A 5 -10.480 -4.143 -3.848 1.00 0.00 C ATOM 56 CD1 ILE A 5 -10.442 -4.773 -6.703 1.00 0.00 C ATOM 0 H ILE A 5 -7.105 -6.175 -4.757 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.829 -3.569 -3.715 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.554 -6.011 -4.301 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.751 -3.656 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.423 -5.353 -6.329 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.394 -4.374 -4.395 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.613 -4.395 -2.796 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.261 -3.079 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.245 -4.553 -7.752 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.838 -5.784 -6.612 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.171 -4.062 -6.314 1.00 0.00 H new ATOM 68 N PRO A 6 -8.288 -4.054 -1.315 1.00 0.00 N ATOM 69 CA PRO A 6 -8.452 -4.288 0.123 1.00 0.00 C ATOM 70 C PRO A 6 -9.822 -4.864 0.465 1.00 0.00 C ATOM 71 O PRO A 6 -10.579 -5.260 -0.422 1.00 0.00 O ATOM 72 CB PRO A 6 -8.292 -2.892 0.730 1.00 0.00 C ATOM 73 CG PRO A 6 -8.678 -1.957 -0.363 1.00 0.00 C ATOM 74 CD PRO A 6 -8.253 -2.619 -1.644 1.00 0.00 C ATOM 0 HA PRO A 6 -7.735 -5.017 0.501 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -8.931 -2.765 1.604 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.267 -2.717 1.057 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.752 -1.772 -0.357 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.188 -0.991 -0.242 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.929 -2.378 -2.464 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.256 -2.301 -1.949 1.00 0.00 H new ATOM 82 N LYS A 7 -10.135 -4.907 1.755 1.00 0.00 N ATOM 83 CA LYS A 7 -11.415 -5.433 2.215 1.00 0.00 C ATOM 84 C LYS A 7 -12.533 -4.421 1.985 1.00 0.00 C ATOM 85 O LYS A 7 -12.547 -3.350 2.592 1.00 0.00 O ATOM 86 CB LYS A 7 -11.337 -5.795 3.700 1.00 0.00 C ATOM 87 CG LYS A 7 -12.453 -6.717 4.160 1.00 0.00 C ATOM 88 CD LYS A 7 -12.414 -6.932 5.664 1.00 0.00 C ATOM 89 CE LYS A 7 -12.678 -5.638 6.419 1.00 0.00 C ATOM 90 NZ LYS A 7 -13.171 -5.893 7.801 1.00 0.00 N ATOM 0 H LYS A 7 -9.520 -4.584 2.501 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.638 -6.332 1.640 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.377 -6.272 3.899 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.367 -4.879 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.416 -6.293 3.877 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.366 -7.677 3.652 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.158 -7.677 5.946 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.440 -7.330 5.951 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.761 -5.050 6.463 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.412 -5.044 5.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.773 -5.183 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.209 -5.831 7.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -12.876 -6.843 8.105 1.00 0.00 H new ATOM 104 N TRP A 8 -13.468 -4.768 1.108 1.00 0.00 N ATOM 105 CA TRP A 8 -14.591 -3.889 0.800 1.00 0.00 C ATOM 106 C TRP A 8 -14.107 -2.588 0.170 1.00 0.00 C ATOM 107 O TRP A 8 -14.086 -1.542 0.820 1.00 0.00 O ATOM 108 CB TRP A 8 -15.393 -3.590 2.068 1.00 0.00 C ATOM 109 CG TRP A 8 -15.731 -4.816 2.860 1.00 0.00 C ATOM 110 CD1 TRP A 8 -15.985 -6.065 2.369 1.00 0.00 C ATOM 111 CD2 TRP A 8 -15.855 -4.910 4.283 1.00 0.00 C ATOM 112 NE1 TRP A 8 -16.258 -6.929 3.402 1.00 0.00 N ATOM 113 CE2 TRP A 8 -16.185 -6.245 4.586 1.00 0.00 C ATOM 114 CE3 TRP A 8 -15.718 -3.996 5.332 1.00 0.00 C ATOM 115 CZ2 TRP A 8 -16.379 -6.686 5.893 1.00 0.00 C ATOM 116 CZ3 TRP A 8 -15.912 -4.434 6.628 1.00 0.00 C ATOM 117 CH2 TRP A 8 -16.239 -5.770 6.899 1.00 0.00 C ATOM 0 H TRP A 8 -13.471 -5.651 0.598 1.00 0.00 H new ATOM 0 HA TRP A 8 -15.235 -4.399 0.084 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -14.823 -2.906 2.697 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -16.315 -3.078 1.794 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -15.973 -6.334 1.323 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -16.479 -7.920 3.303 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -15.465 -2.965 5.133 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -16.631 -7.715 6.104 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -15.810 -3.736 7.446 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -16.383 -6.082 7.923 1.00 0.00 H new ATOM 128 N LYS A 9 -13.718 -2.658 -1.098 1.00 0.00 N ATOM 129 CA LYS A 9 -13.236 -1.485 -1.817 1.00 0.00 C ATOM 130 C LYS A 9 -14.023 -1.276 -3.107 1.00 0.00 C ATOM 131 O LYS A 9 -14.043 -0.178 -3.662 1.00 0.00 O ATOM 132 CB LYS A 9 -11.746 -1.633 -2.135 1.00 0.00 C ATOM 133 CG LYS A 9 -10.967 -0.334 -2.019 1.00 0.00 C ATOM 134 CD LYS A 9 -11.370 0.656 -3.099 1.00 0.00 C ATOM 135 CE LYS A 9 -10.229 1.601 -3.442 1.00 0.00 C ATOM 136 NZ LYS A 9 -10.514 2.392 -4.671 1.00 0.00 N ATOM 0 H LYS A 9 -13.727 -3.516 -1.650 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.381 -0.614 -1.178 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.310 -2.370 -1.460 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.636 -2.024 -3.147 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.138 0.108 -1.037 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.899 -0.541 -2.094 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.677 0.115 -3.994 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.232 1.232 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.055 2.279 -2.606 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.313 1.028 -3.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.712 3.024 -4.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.655 1.747 -5.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.374 2.959 -4.527 1.00 0.00 H new ATOM 150 N GLY A 10 -14.671 -2.337 -3.578 1.00 0.00 N ATOM 151 CA GLY A 10 -15.451 -2.247 -4.799 1.00 0.00 C ATOM 152 C GLY A 10 -14.840 -3.039 -5.937 1.00 0.00 C ATOM 153 O GLY A 10 -13.797 -2.665 -6.474 1.00 0.00 O ATOM 0 H GLY A 10 -14.670 -3.256 -3.137 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.461 -2.610 -4.609 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.539 -1.201 -5.094 1.00 0.00 H new ATOM 157 N CYS A 11 -15.489 -4.138 -6.307 1.00 0.00 N ATOM 158 CA CYS A 11 -15.003 -4.987 -7.388 1.00 0.00 C ATOM 159 C CYS A 11 -16.037 -5.092 -8.505 1.00 0.00 C ATOM 160 O CYS A 11 -16.280 -6.173 -9.042 1.00 0.00 O ATOM 161 CB CYS A 11 -14.666 -6.382 -6.857 1.00 0.00 C ATOM 162 SG CYS A 11 -16.099 -7.291 -6.193 1.00 0.00 S ATOM 0 H CYS A 11 -16.354 -4.462 -5.874 1.00 0.00 H new ATOM 0 HA CYS A 11 -14.100 -4.532 -7.795 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -14.219 -6.967 -7.661 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.914 -6.289 -6.074 1.00 0.00 H new ATOM 167 N VAL A 12 -16.645 -3.961 -8.849 1.00 0.00 N ATOM 168 CA VAL A 12 -17.652 -3.924 -9.903 1.00 0.00 C ATOM 169 C VAL A 12 -17.079 -4.411 -11.229 1.00 0.00 C ATOM 170 O VAL A 12 -17.806 -4.917 -12.082 1.00 0.00 O ATOM 171 CB VAL A 12 -18.216 -2.503 -10.091 1.00 0.00 C ATOM 172 CG1 VAL A 12 -19.022 -2.083 -8.871 1.00 0.00 C ATOM 173 CG2 VAL A 12 -17.091 -1.516 -10.363 1.00 0.00 C ATOM 0 H VAL A 12 -16.458 -3.058 -8.413 1.00 0.00 H new ATOM 0 HA VAL A 12 -18.458 -4.589 -9.593 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.883 -2.506 -10.953 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.413 -1.077 -9.022 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.851 -2.776 -8.726 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.381 -2.095 -7.990 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.507 -0.517 -10.493 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.398 -1.513 -9.522 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.561 -1.809 -11.269 1.00 0.00 H new ATOM 183 N ASN A 13 -15.769 -4.255 -11.394 1.00 0.00 N ATOM 184 CA ASN A 13 -15.097 -4.679 -12.617 1.00 0.00 C ATOM 185 C ASN A 13 -13.715 -5.247 -12.309 1.00 0.00 C ATOM 186 O ASN A 13 -12.852 -5.316 -13.184 1.00 0.00 O ATOM 187 CB ASN A 13 -14.972 -3.503 -13.588 1.00 0.00 C ATOM 188 CG ASN A 13 -16.322 -2.989 -14.050 1.00 0.00 C ATOM 189 OD1 ASN A 13 -17.154 -3.752 -14.543 1.00 0.00 O ATOM 190 ND2 ASN A 13 -16.546 -1.690 -13.893 1.00 0.00 N ATOM 0 H ASN A 13 -15.152 -3.838 -10.697 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.698 -5.462 -13.080 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.424 -2.694 -13.106 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -14.388 -3.812 -14.455 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.436 -1.287 -14.186 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.828 -1.095 -13.480 1.00 0.00 H new ATOM 197 N ARG A 14 -13.514 -5.654 -11.060 1.00 0.00 N ATOM 198 CA ARG A 14 -12.237 -6.216 -10.636 1.00 0.00 C ATOM 199 C ARG A 14 -12.448 -7.363 -9.651 1.00 0.00 C ATOM 200 O ARG A 14 -12.136 -7.242 -8.466 1.00 0.00 O ATOM 201 CB ARG A 14 -11.366 -5.134 -9.996 1.00 0.00 C ATOM 202 CG ARG A 14 -11.322 -3.838 -10.790 1.00 0.00 C ATOM 203 CD ARG A 14 -9.969 -3.155 -10.668 1.00 0.00 C ATOM 204 NE ARG A 14 -9.656 -2.348 -11.843 1.00 0.00 N ATOM 205 CZ ARG A 14 -8.632 -1.503 -11.903 1.00 0.00 C ATOM 206 NH1 ARG A 14 -7.828 -1.356 -10.859 1.00 0.00 N ATOM 207 NH2 ARG A 14 -8.412 -0.803 -13.008 1.00 0.00 N ATOM 0 H ARG A 14 -14.219 -5.605 -10.324 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.730 -6.606 -11.518 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.740 -4.924 -8.994 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.351 -5.516 -9.884 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.533 -4.046 -11.839 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -12.103 -3.166 -10.435 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.961 -2.522 -9.781 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.194 -3.908 -10.529 1.00 0.00 H new ATOM 0 HE ARG A 14 -10.256 -2.437 -12.663 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -7.995 -1.892 -10.007 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -7.043 -0.707 -10.907 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -9.029 -0.913 -13.813 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.626 -0.155 -13.053 1.00 0.00 H new ATOM 221 N HIS A 15 -12.979 -8.474 -10.150 1.00 0.00 N ATOM 222 CA HIS A 15 -13.232 -9.643 -9.315 1.00 0.00 C ATOM 223 C HIS A 15 -11.925 -10.336 -8.940 1.00 0.00 C ATOM 224 O HIS A 15 -11.668 -10.605 -7.768 1.00 0.00 O ATOM 225 CB HIS A 15 -14.154 -10.624 -10.039 1.00 0.00 C ATOM 226 CG HIS A 15 -15.542 -10.101 -10.246 1.00 0.00 C ATOM 227 ND1 HIS A 15 -15.806 -8.816 -10.670 1.00 0.00 N ATOM 228 CD2 HIS A 15 -16.746 -10.698 -10.086 1.00 0.00 C ATOM 229 CE1 HIS A 15 -17.113 -8.645 -10.761 1.00 0.00 C ATOM 230 NE2 HIS A 15 -17.706 -9.772 -10.412 1.00 0.00 N ATOM 0 H HIS A 15 -13.243 -8.590 -11.129 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.720 -9.306 -8.400 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.719 -10.871 -11.008 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.205 -11.551 -9.467 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -16.919 -11.714 -9.762 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.612 -7.738 -11.069 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.714 -9.929 -10.388 1.00 0.00 H new ATOM 238 N GLY A 16 -11.103 -10.622 -9.945 1.00 0.00 N ATOM 239 CA GLY A 16 -9.834 -11.282 -9.701 1.00 0.00 C ATOM 240 C GLY A 16 -8.715 -10.300 -9.420 1.00 0.00 C ATOM 241 O GLY A 16 -7.636 -10.392 -10.007 1.00 0.00 O ATOM 0 H GLY A 16 -11.293 -10.408 -10.924 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.938 -11.961 -8.855 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.571 -11.889 -10.567 1.00 0.00 H new ATOM 245 N ASP A 17 -8.970 -9.356 -8.521 1.00 0.00 N ATOM 246 CA ASP A 17 -7.975 -8.351 -8.163 1.00 0.00 C ATOM 247 C ASP A 17 -7.927 -8.148 -6.652 1.00 0.00 C ATOM 248 O ASP A 17 -7.223 -7.268 -6.155 1.00 0.00 O ATOM 249 CB ASP A 17 -8.286 -7.024 -8.858 1.00 0.00 C ATOM 250 CG ASP A 17 -7.941 -7.049 -10.334 1.00 0.00 C ATOM 251 OD1 ASP A 17 -8.300 -8.035 -11.011 1.00 0.00 O ATOM 252 OD2 ASP A 17 -7.310 -6.083 -10.813 1.00 0.00 O ATOM 0 H ASP A 17 -9.857 -9.265 -8.026 1.00 0.00 H new ATOM 0 HA ASP A 17 -7.000 -8.707 -8.495 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.345 -6.794 -8.739 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.730 -6.223 -8.371 1.00 0.00 H new ATOM 257 N CYS A 18 -8.679 -8.968 -5.926 1.00 0.00 N ATOM 258 CA CYS A 18 -8.724 -8.879 -4.471 1.00 0.00 C ATOM 259 C CYS A 18 -7.446 -9.439 -3.853 1.00 0.00 C ATOM 260 O CYS A 18 -6.903 -10.440 -4.320 1.00 0.00 O ATOM 261 CB CYS A 18 -9.939 -9.634 -3.930 1.00 0.00 C ATOM 262 SG CYS A 18 -11.487 -9.291 -4.826 1.00 0.00 S ATOM 0 H CYS A 18 -9.266 -9.702 -6.322 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.808 -7.827 -4.198 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.737 -10.704 -3.972 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.075 -9.377 -2.880 1.00 0.00 H new ATOM 267 N CYS A 19 -6.970 -8.785 -2.798 1.00 0.00 N ATOM 268 CA CYS A 19 -5.757 -9.216 -2.114 1.00 0.00 C ATOM 269 C CYS A 19 -5.847 -10.688 -1.722 1.00 0.00 C ATOM 270 O CYS A 19 -6.924 -11.282 -1.746 1.00 0.00 O ATOM 271 CB CYS A 19 -5.517 -8.359 -0.869 1.00 0.00 C ATOM 272 SG CYS A 19 -5.239 -6.594 -1.224 1.00 0.00 S ATOM 0 H CYS A 19 -7.407 -7.954 -2.398 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.919 -9.092 -2.800 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.376 -8.454 -0.204 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.653 -8.751 -0.332 1.00 0.00 H new ATOM 277 N GLU A 20 -4.707 -11.269 -1.361 1.00 0.00 N ATOM 278 CA GLU A 20 -4.658 -12.671 -0.964 1.00 0.00 C ATOM 279 C GLU A 20 -5.567 -12.930 0.233 1.00 0.00 C ATOM 280 O GLU A 20 -5.425 -12.303 1.282 1.00 0.00 O ATOM 281 CB GLU A 20 -3.222 -13.078 -0.626 1.00 0.00 C ATOM 282 CG GLU A 20 -3.085 -14.531 -0.201 1.00 0.00 C ATOM 283 CD GLU A 20 -3.155 -15.490 -1.374 1.00 0.00 C ATOM 284 OE1 GLU A 20 -2.254 -15.438 -2.237 1.00 0.00 O ATOM 285 OE2 GLU A 20 -4.111 -16.292 -1.428 1.00 0.00 O ATOM 0 H GLU A 20 -3.806 -10.791 -1.335 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.011 -13.272 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.589 -12.901 -1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.851 -12.438 0.174 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -2.136 -14.666 0.318 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.875 -14.774 0.510 1.00 0.00 H new ATOM 292 N GLY A 21 -6.503 -13.860 0.068 1.00 0.00 N ATOM 293 CA GLY A 21 -7.423 -14.186 1.142 1.00 0.00 C ATOM 294 C GLY A 21 -8.750 -13.467 1.007 1.00 0.00 C ATOM 295 O GLY A 21 -9.591 -13.527 1.905 1.00 0.00 O ATOM 0 H GLY A 21 -6.640 -14.393 -0.790 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.596 -15.262 1.154 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.968 -13.926 2.098 1.00 0.00 H new ATOM 299 N LEU A 22 -8.940 -12.784 -0.116 1.00 0.00 N ATOM 300 CA LEU A 22 -10.174 -12.049 -0.366 1.00 0.00 C ATOM 301 C LEU A 22 -10.934 -12.644 -1.546 1.00 0.00 C ATOM 302 O LEU A 22 -10.389 -13.442 -2.309 1.00 0.00 O ATOM 303 CB LEU A 22 -9.867 -10.574 -0.634 1.00 0.00 C ATOM 304 CG LEU A 22 -9.159 -9.820 0.493 1.00 0.00 C ATOM 305 CD1 LEU A 22 -9.019 -8.347 0.143 1.00 0.00 C ATOM 306 CD2 LEU A 22 -9.913 -9.990 1.804 1.00 0.00 C ATOM 0 H LEU A 22 -8.254 -12.724 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.801 -12.128 0.522 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.251 -10.509 -1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.804 -10.063 -0.854 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.160 -10.240 0.615 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.513 -7.826 0.956 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.436 -8.244 -0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.008 -7.913 -0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.395 -9.447 2.595 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.924 -9.597 1.696 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -9.961 -11.048 2.062 1.00 0.00 H new ATOM 318 N GLU A 23 -12.195 -12.250 -1.692 1.00 0.00 N ATOM 319 CA GLU A 23 -13.029 -12.744 -2.781 1.00 0.00 C ATOM 320 C GLU A 23 -14.114 -11.732 -3.139 1.00 0.00 C ATOM 321 O GLU A 23 -14.798 -11.203 -2.262 1.00 0.00 O ATOM 322 CB GLU A 23 -13.669 -14.080 -2.398 1.00 0.00 C ATOM 323 CG GLU A 23 -14.326 -14.069 -1.028 1.00 0.00 C ATOM 324 CD GLU A 23 -15.342 -15.182 -0.859 1.00 0.00 C ATOM 325 OE1 GLU A 23 -16.521 -14.967 -1.213 1.00 0.00 O ATOM 326 OE2 GLU A 23 -14.960 -16.267 -0.374 1.00 0.00 O ATOM 0 H GLU A 23 -12.661 -11.590 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.392 -12.891 -3.653 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.415 -14.344 -3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.906 -14.858 -2.420 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.558 -14.164 -0.260 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.816 -13.108 -0.872 1.00 0.00 H new ATOM 333 N CYS A 24 -14.265 -11.467 -4.432 1.00 0.00 N ATOM 334 CA CYS A 24 -15.265 -10.519 -4.907 1.00 0.00 C ATOM 335 C CYS A 24 -16.675 -11.063 -4.696 1.00 0.00 C ATOM 336 O CYS A 24 -17.049 -12.085 -5.271 1.00 0.00 O ATOM 337 CB CYS A 24 -15.042 -10.211 -6.389 1.00 0.00 C ATOM 338 SG CYS A 24 -16.255 -9.051 -7.098 1.00 0.00 S ATOM 0 H CYS A 24 -13.707 -11.896 -5.170 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.160 -9.599 -4.331 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.042 -9.797 -6.517 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.075 -11.144 -6.952 1.00 0.00 H new ATOM 343 N TRP A 25 -17.451 -10.373 -3.868 1.00 0.00 N ATOM 344 CA TRP A 25 -18.819 -10.787 -3.580 1.00 0.00 C ATOM 345 C TRP A 25 -19.821 -9.895 -4.305 1.00 0.00 C ATOM 346 O TRP A 25 -19.571 -8.709 -4.519 1.00 0.00 O ATOM 347 CB TRP A 25 -19.080 -10.748 -2.074 1.00 0.00 C ATOM 348 CG TRP A 25 -20.388 -11.366 -1.681 1.00 0.00 C ATOM 349 CD1 TRP A 25 -21.399 -10.771 -0.982 1.00 0.00 C ATOM 350 CD2 TRP A 25 -20.824 -12.701 -1.963 1.00 0.00 C ATOM 351 NE1 TRP A 25 -22.437 -11.655 -0.813 1.00 0.00 N ATOM 352 CE2 TRP A 25 -22.110 -12.845 -1.406 1.00 0.00 C ATOM 353 CE3 TRP A 25 -20.255 -13.787 -2.633 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -22.832 -14.032 -1.499 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -20.973 -14.964 -2.725 1.00 0.00 C ATOM 356 CH2 TRP A 25 -22.250 -15.079 -2.161 1.00 0.00 C ATOM 0 H TRP A 25 -17.156 -9.525 -3.384 1.00 0.00 H new ATOM 0 HA TRP A 25 -18.945 -11.809 -3.937 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -18.272 -11.267 -1.559 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -19.060 -9.712 -1.736 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -21.385 -9.755 -0.616 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -23.310 -11.457 -0.325 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -19.271 -13.708 -3.071 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -23.816 -14.123 -1.064 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -20.542 -15.810 -3.241 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -22.786 -16.012 -2.250 1.00 0.00 H new ATOM 367 N LYS A 26 -20.957 -10.472 -4.682 1.00 0.00 N ATOM 368 CA LYS A 26 -21.999 -9.730 -5.381 1.00 0.00 C ATOM 369 C LYS A 26 -23.081 -9.265 -4.412 1.00 0.00 C ATOM 370 O LYS A 26 -23.367 -9.935 -3.419 1.00 0.00 O ATOM 371 CB LYS A 26 -22.620 -10.595 -6.480 1.00 0.00 C ATOM 372 CG LYS A 26 -23.868 -9.988 -7.099 1.00 0.00 C ATOM 373 CD LYS A 26 -24.004 -10.367 -8.564 1.00 0.00 C ATOM 374 CE LYS A 26 -25.216 -9.704 -9.201 1.00 0.00 C ATOM 375 NZ LYS A 26 -24.964 -8.270 -9.511 1.00 0.00 N ATOM 0 H LYS A 26 -21.179 -11.453 -4.515 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.541 -8.851 -5.834 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.880 -10.760 -7.263 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.869 -11.572 -6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.748 -10.326 -6.552 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.831 -8.903 -7.005 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.103 -10.073 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -24.091 -11.450 -8.654 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -25.480 -10.233 -10.117 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -26.070 -9.786 -8.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.813 -7.854 -9.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.737 -7.760 -8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.165 -8.193 -10.173 1.00 0.00 H new ATOM 389 N ARG A 27 -23.679 -8.115 -4.706 1.00 0.00 N ATOM 390 CA ARG A 27 -24.729 -7.562 -3.860 1.00 0.00 C ATOM 391 C ARG A 27 -25.840 -6.945 -4.705 1.00 0.00 C ATOM 392 O ARG A 27 -25.592 -6.444 -5.803 1.00 0.00 O ATOM 393 CB ARG A 27 -24.150 -6.510 -2.913 1.00 0.00 C ATOM 394 CG ARG A 27 -23.519 -7.098 -1.662 1.00 0.00 C ATOM 395 CD ARG A 27 -22.002 -7.137 -1.768 1.00 0.00 C ATOM 396 NE ARG A 27 -21.360 -7.090 -0.457 1.00 0.00 N ATOM 397 CZ ARG A 27 -21.342 -6.009 0.314 1.00 0.00 C ATOM 398 NH1 ARG A 27 -21.928 -4.891 -0.092 1.00 0.00 N ATOM 399 NH2 ARG A 27 -20.737 -6.045 1.495 1.00 0.00 N ATOM 0 H ARG A 27 -23.454 -7.548 -5.524 1.00 0.00 H new ATOM 0 HA ARG A 27 -25.153 -8.376 -3.272 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.401 -5.926 -3.447 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.943 -5.821 -2.621 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -23.809 -6.506 -0.794 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.900 -8.107 -1.501 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -21.698 -8.046 -2.288 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -21.659 -6.295 -2.370 1.00 0.00 H new ATOM 0 HE ARG A 27 -20.900 -7.934 -0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -22.394 -4.860 -0.999 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -21.913 -4.062 0.502 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -20.286 -6.903 1.811 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -20.724 -5.214 2.087 1.00 0.00 H new ATOM 413 N ARG A 28 -27.063 -6.985 -4.187 1.00 0.00 N ATOM 414 CA ARG A 28 -28.211 -6.432 -4.895 1.00 0.00 C ATOM 415 C ARG A 28 -28.407 -4.960 -4.545 1.00 0.00 C ATOM 416 O ARG A 28 -28.292 -4.086 -5.405 1.00 0.00 O ATOM 417 CB ARG A 28 -29.476 -7.222 -4.554 1.00 0.00 C ATOM 418 CG ARG A 28 -30.735 -6.661 -5.195 1.00 0.00 C ATOM 419 CD ARG A 28 -31.738 -7.761 -5.508 1.00 0.00 C ATOM 420 NE ARG A 28 -32.529 -8.129 -4.336 1.00 0.00 N ATOM 421 CZ ARG A 28 -33.252 -9.240 -4.258 1.00 0.00 C ATOM 422 NH1 ARG A 28 -33.284 -10.088 -5.277 1.00 0.00 N ATOM 423 NH2 ARG A 28 -33.945 -9.506 -3.158 1.00 0.00 N ATOM 0 H ARG A 28 -27.284 -7.395 -3.279 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.020 -6.511 -5.965 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -29.346 -8.256 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.605 -7.236 -3.472 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -31.191 -5.931 -4.526 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.474 -6.133 -6.112 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -32.403 -7.429 -6.305 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -31.209 -8.639 -5.879 1.00 0.00 H new ATOM 0 HE ARG A 28 -32.526 -7.498 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -32.752 -9.888 -6.124 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -33.840 -10.941 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -33.923 -8.857 -2.372 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -34.500 -10.360 -3.099 1.00 0.00 H new ATOM 437 N ARG A 29 -28.705 -4.693 -3.278 1.00 0.00 N ATOM 438 CA ARG A 29 -28.920 -3.327 -2.814 1.00 0.00 C ATOM 439 C ARG A 29 -27.621 -2.527 -2.861 1.00 0.00 C ATOM 440 O ARG A 29 -27.640 -1.298 -2.931 1.00 0.00 O ATOM 441 CB ARG A 29 -29.478 -3.331 -1.390 1.00 0.00 C ATOM 442 CG ARG A 29 -30.932 -3.767 -1.307 1.00 0.00 C ATOM 443 CD ARG A 29 -31.070 -5.275 -1.448 1.00 0.00 C ATOM 444 NE ARG A 29 -32.379 -5.749 -1.008 1.00 0.00 N ATOM 445 CZ ARG A 29 -32.663 -7.028 -0.790 1.00 0.00 C ATOM 446 NH1 ARG A 29 -31.734 -7.956 -0.970 1.00 0.00 N ATOM 447 NH2 ARG A 29 -33.879 -7.380 -0.391 1.00 0.00 N ATOM 0 H ARG A 29 -28.803 -5.405 -2.554 1.00 0.00 H new ATOM 0 HA ARG A 29 -29.643 -2.853 -3.478 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -28.873 -3.995 -0.773 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -29.383 -2.330 -0.969 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -31.354 -3.449 -0.354 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -31.506 -3.273 -2.091 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -30.914 -5.557 -2.489 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -30.292 -5.766 -0.864 1.00 0.00 H new ATOM 0 HE ARG A 29 -33.116 -5.060 -0.860 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -30.799 -7.689 -1.277 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -31.954 -8.938 -0.802 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -34.596 -6.668 -0.252 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -34.096 -8.362 -0.224 1.00 0.00 H new ATOM 461 N SER A 30 -26.495 -3.233 -2.821 1.00 0.00 N ATOM 462 CA SER A 30 -25.188 -2.589 -2.854 1.00 0.00 C ATOM 463 C SER A 30 -24.436 -2.951 -4.131 1.00 0.00 C ATOM 464 O SER A 30 -24.997 -3.555 -5.046 1.00 0.00 O ATOM 465 CB SER A 30 -24.364 -2.996 -1.631 1.00 0.00 C ATOM 466 OG SER A 30 -23.343 -2.050 -1.366 1.00 0.00 O ATOM 0 H SER A 30 -26.462 -4.251 -2.766 1.00 0.00 H new ATOM 0 HA SER A 30 -25.342 -1.510 -2.837 1.00 0.00 H new ATOM 0 HB2 SER A 30 -25.016 -3.085 -0.762 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.920 -3.978 -1.798 1.00 0.00 H new ATOM 0 HG SER A 30 -22.832 -2.332 -0.579 1.00 0.00 H new ATOM 472 N PHE A 31 -23.161 -2.579 -4.186 1.00 0.00 N ATOM 473 CA PHE A 31 -22.331 -2.863 -5.350 1.00 0.00 C ATOM 474 C PHE A 31 -21.305 -3.948 -5.035 1.00 0.00 C ATOM 475 O PHE A 31 -21.016 -4.223 -3.871 1.00 0.00 O ATOM 476 CB PHE A 31 -21.619 -1.592 -5.818 1.00 0.00 C ATOM 477 CG PHE A 31 -20.930 -0.848 -4.709 1.00 0.00 C ATOM 478 CD1 PHE A 31 -19.626 -1.156 -4.356 1.00 0.00 C ATOM 479 CD2 PHE A 31 -21.587 0.158 -4.020 1.00 0.00 C ATOM 480 CE1 PHE A 31 -18.990 -0.473 -3.337 1.00 0.00 C ATOM 481 CE2 PHE A 31 -20.956 0.845 -3.001 1.00 0.00 C ATOM 482 CZ PHE A 31 -19.656 0.528 -2.657 1.00 0.00 C ATOM 0 H PHE A 31 -22.680 -2.080 -3.437 1.00 0.00 H new ATOM 0 HA PHE A 31 -22.980 -3.222 -6.149 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.885 -1.856 -6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.345 -0.931 -6.291 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -19.101 -1.939 -4.883 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -22.604 0.408 -4.282 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.973 -0.722 -3.072 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -21.479 1.629 -2.474 1.00 0.00 H new ATOM 0 HZ PHE A 31 -19.162 1.061 -1.859 1.00 0.00 H new ATOM 492 N GLU A 32 -20.759 -4.560 -6.081 1.00 0.00 N ATOM 493 CA GLU A 32 -19.766 -5.615 -5.915 1.00 0.00 C ATOM 494 C GLU A 32 -18.572 -5.117 -5.107 1.00 0.00 C ATOM 495 O GLU A 32 -18.059 -4.023 -5.345 1.00 0.00 O ATOM 496 CB GLU A 32 -19.296 -6.122 -7.280 1.00 0.00 C ATOM 497 CG GLU A 32 -20.429 -6.360 -8.265 1.00 0.00 C ATOM 498 CD GLU A 32 -21.537 -7.216 -7.683 1.00 0.00 C ATOM 499 OE1 GLU A 32 -22.289 -6.709 -6.825 1.00 0.00 O ATOM 500 OE2 GLU A 32 -21.651 -8.393 -8.086 1.00 0.00 O ATOM 0 H GLU A 32 -20.987 -4.344 -7.051 1.00 0.00 H new ATOM 0 HA GLU A 32 -20.233 -6.436 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.601 -5.399 -7.707 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.744 -7.052 -7.142 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -20.842 -5.401 -8.577 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.033 -6.843 -9.159 1.00 0.00 H new ATOM 507 N VAL A 33 -18.135 -5.927 -4.148 1.00 0.00 N ATOM 508 CA VAL A 33 -17.001 -5.569 -3.303 1.00 0.00 C ATOM 509 C VAL A 33 -16.201 -6.805 -2.905 1.00 0.00 C ATOM 510 O VAL A 33 -16.746 -7.904 -2.803 1.00 0.00 O ATOM 511 CB VAL A 33 -17.460 -4.836 -2.029 1.00 0.00 C ATOM 512 CG1 VAL A 33 -17.936 -3.431 -2.363 1.00 0.00 C ATOM 513 CG2 VAL A 33 -18.553 -5.625 -1.325 1.00 0.00 C ATOM 0 H VAL A 33 -18.549 -6.835 -3.937 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.368 -4.902 -3.888 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.610 -4.754 -1.352 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.256 -2.929 -1.450 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.121 -2.869 -2.819 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.773 -3.486 -3.059 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -18.865 -5.092 -0.427 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -19.406 -5.741 -1.993 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -18.172 -6.608 -1.049 1.00 0.00 H new ATOM 523 N CYS A 34 -14.905 -6.617 -2.681 1.00 0.00 N ATOM 524 CA CYS A 34 -14.028 -7.715 -2.294 1.00 0.00 C ATOM 525 C CYS A 34 -14.177 -8.033 -0.809 1.00 0.00 C ATOM 526 O CYS A 34 -13.647 -7.323 0.045 1.00 0.00 O ATOM 527 CB CYS A 34 -12.572 -7.368 -2.609 1.00 0.00 C ATOM 528 SG CYS A 34 -12.144 -7.486 -4.376 1.00 0.00 S ATOM 0 H CYS A 34 -14.439 -5.713 -2.761 1.00 0.00 H new ATOM 0 HA CYS A 34 -14.316 -8.596 -2.867 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.369 -6.354 -2.264 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.921 -8.034 -2.043 1.00 0.00 H new ATOM 533 N VAL A 35 -14.903 -9.106 -0.509 1.00 0.00 N ATOM 534 CA VAL A 35 -15.121 -9.519 0.872 1.00 0.00 C ATOM 535 C VAL A 35 -14.083 -10.548 1.308 1.00 0.00 C ATOM 536 O VAL A 35 -13.545 -11.304 0.500 1.00 0.00 O ATOM 537 CB VAL A 35 -16.529 -10.113 1.065 1.00 0.00 C ATOM 538 CG1 VAL A 35 -17.587 -9.165 0.521 1.00 0.00 C ATOM 539 CG2 VAL A 35 -16.628 -11.475 0.395 1.00 0.00 C ATOM 0 H VAL A 35 -15.350 -9.704 -1.204 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.024 -8.625 1.489 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.706 -10.244 2.132 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.575 -9.601 0.666 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.529 -8.213 1.049 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.416 -9.000 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.629 -11.880 0.541 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.431 -11.371 -0.672 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.895 -12.151 0.835 1.00 0.00 H new ATOM 549 N PRO A 36 -13.795 -10.579 2.618 1.00 0.00 N ATOM 550 CA PRO A 36 -12.821 -11.511 3.192 1.00 0.00 C ATOM 551 C PRO A 36 -13.315 -12.954 3.166 1.00 0.00 C ATOM 552 O PRO A 36 -14.451 -13.239 3.544 1.00 0.00 O ATOM 553 CB PRO A 36 -12.671 -11.023 4.635 1.00 0.00 C ATOM 554 CG PRO A 36 -13.952 -10.325 4.934 1.00 0.00 C ATOM 555 CD PRO A 36 -14.399 -9.706 3.639 1.00 0.00 C ATOM 0 HA PRO A 36 -11.886 -11.520 2.632 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.505 -11.855 5.319 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -11.820 -10.350 4.739 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.699 -11.024 5.310 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.812 -9.564 5.702 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.486 -9.685 3.558 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.052 -8.677 3.544 1.00 0.00 H new ATOM 563 N LYS A 37 -12.453 -13.861 2.719 1.00 0.00 N ATOM 564 CA LYS A 37 -12.800 -15.276 2.645 1.00 0.00 C ATOM 565 C LYS A 37 -12.999 -15.860 4.040 1.00 0.00 C ATOM 566 O LYS A 37 -12.239 -15.566 4.963 1.00 0.00 O ATOM 567 CB LYS A 37 -11.708 -16.052 1.906 1.00 0.00 C ATOM 568 CG LYS A 37 -11.495 -15.589 0.476 1.00 0.00 C ATOM 569 CD LYS A 37 -10.200 -16.138 -0.101 1.00 0.00 C ATOM 570 CE LYS A 37 -10.306 -17.627 -0.391 1.00 0.00 C ATOM 571 NZ LYS A 37 -10.013 -18.449 0.815 1.00 0.00 N ATOM 0 H LYS A 37 -11.509 -13.642 2.402 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.737 -15.367 2.095 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.771 -15.955 2.454 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.966 -17.111 1.902 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.334 -15.911 -0.140 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.476 -14.500 0.444 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.954 -15.604 -1.019 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.384 -15.960 0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -11.309 -17.856 -0.752 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.612 -17.892 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.254 -19.126 0.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.712 -17.828 1.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.869 -18.968 1.098 1.00 0.00 H new