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+ -105:sc= -0.133 (180deg=-0.73) USER MOD Single : A 9 LYS NZ :NH3+ -132:sc= -0.721 (180deg=-3.67!) USER MOD Single : A 13 ASN : amide:sc= -0.38 X(o=-0.38,f=-0.034) USER MOD Single : A 15 HIS : no HD1:sc= -0.637 K(o=-0.64,f=-1.7) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N CYS A 4 -3.580 -4.562 -5.000 1.00 0.00 N ATOM 40 CA CYS A 4 -4.682 -5.490 -4.776 1.00 0.00 C ATOM 41 C CYS A 4 -5.869 -4.780 -4.130 1.00 0.00 C ATOM 42 O CYS A 4 -5.702 -3.773 -3.441 1.00 0.00 O ATOM 43 CB CYS A 4 -4.226 -6.652 -3.891 1.00 0.00 C ATOM 44 SG CYS A 4 -3.883 -6.182 -2.165 1.00 0.00 S ATOM 0 HA CYS A 4 -4.997 -5.880 -5.744 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -4.995 -7.425 -3.900 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.327 -7.092 -4.322 1.00 0.00 H new ATOM 49 N ILE A 5 -7.065 -5.312 -4.357 1.00 0.00 N ATOM 50 CA ILE A 5 -8.278 -4.730 -3.797 1.00 0.00 C ATOM 51 C ILE A 5 -8.477 -5.163 -2.348 1.00 0.00 C ATOM 52 O ILE A 5 -8.611 -6.348 -2.041 1.00 0.00 O ATOM 53 CB ILE A 5 -9.522 -5.126 -4.614 1.00 0.00 C ATOM 54 CG1 ILE A 5 -9.272 -4.897 -6.106 1.00 0.00 C ATOM 55 CG2 ILE A 5 -10.736 -4.336 -4.148 1.00 0.00 C ATOM 56 CD1 ILE A 5 -10.495 -5.128 -6.966 1.00 0.00 C ATOM 0 H ILE A 5 -7.220 -6.145 -4.925 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.156 -3.648 -3.837 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.720 -6.186 -4.456 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.921 -3.876 -6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.473 -5.560 -6.438 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.607 -4.627 -4.735 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.923 -4.544 -3.094 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.549 -3.270 -4.280 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.244 -4.947 -8.011 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.835 -6.157 -6.847 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.289 -4.446 -6.660 1.00 0.00 H new ATOM 68 N PRO A 6 -8.499 -4.182 -1.434 1.00 0.00 N ATOM 69 CA PRO A 6 -8.684 -4.436 -0.003 1.00 0.00 C ATOM 70 C PRO A 6 -10.097 -4.905 0.325 1.00 0.00 C ATOM 71 O PRO A 6 -10.889 -5.197 -0.572 1.00 0.00 O ATOM 72 CB PRO A 6 -8.411 -3.073 0.638 1.00 0.00 C ATOM 73 CG PRO A 6 -8.717 -2.083 -0.432 1.00 0.00 C ATOM 74 CD PRO A 6 -8.345 -2.747 -1.729 1.00 0.00 C ATOM 0 HA PRO A 6 -8.030 -5.230 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.039 -2.915 1.515 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.376 -2.991 0.969 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.772 -1.811 -0.422 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.149 -1.164 -0.287 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.997 -2.432 -2.543 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.325 -2.505 -2.026 1.00 0.00 H new ATOM 82 N LYS A 7 -10.408 -4.976 1.615 1.00 0.00 N ATOM 83 CA LYS A 7 -11.727 -5.408 2.062 1.00 0.00 C ATOM 84 C LYS A 7 -12.757 -4.299 1.871 1.00 0.00 C ATOM 85 O LYS A 7 -12.621 -3.211 2.431 1.00 0.00 O ATOM 86 CB LYS A 7 -11.678 -5.825 3.533 1.00 0.00 C ATOM 87 CG LYS A 7 -12.872 -6.656 3.970 1.00 0.00 C ATOM 88 CD LYS A 7 -12.835 -6.945 5.461 1.00 0.00 C ATOM 89 CE LYS A 7 -12.919 -5.665 6.279 1.00 0.00 C ATOM 90 NZ LYS A 7 -11.576 -5.205 6.729 1.00 0.00 N ATOM 0 H LYS A 7 -9.764 -4.740 2.370 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.025 -6.265 1.457 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.765 -6.394 3.710 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.622 -4.931 4.154 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.793 -6.128 3.724 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.885 -7.595 3.417 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.663 -7.602 5.726 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.915 -7.476 5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -13.390 -4.883 5.683 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.556 -5.830 7.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -11.460 -5.411 7.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -10.840 -5.702 6.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -11.489 -4.181 6.572 1.00 0.00 H new ATOM 104 N TRP A 8 -13.784 -4.582 1.079 1.00 0.00 N ATOM 105 CA TRP A 8 -14.837 -3.608 0.816 1.00 0.00 C ATOM 106 C TRP A 8 -14.278 -2.378 0.109 1.00 0.00 C ATOM 107 O TRP A 8 -14.246 -1.285 0.675 1.00 0.00 O ATOM 108 CB TRP A 8 -15.517 -3.195 2.123 1.00 0.00 C ATOM 109 CG TRP A 8 -15.932 -4.360 2.970 1.00 0.00 C ATOM 110 CD1 TRP A 8 -16.396 -5.568 2.532 1.00 0.00 C ATOM 111 CD2 TRP A 8 -15.924 -4.426 4.400 1.00 0.00 C ATOM 112 NE1 TRP A 8 -16.676 -6.380 3.603 1.00 0.00 N ATOM 113 CE2 TRP A 8 -16.394 -5.704 4.761 1.00 0.00 C ATOM 114 CE3 TRP A 8 -15.563 -3.531 5.411 1.00 0.00 C ATOM 115 CZ2 TRP A 8 -16.513 -6.106 6.088 1.00 0.00 C ATOM 116 CZ3 TRP A 8 -15.682 -3.931 6.728 1.00 0.00 C ATOM 117 CH2 TRP A 8 -16.153 -5.209 7.058 1.00 0.00 C ATOM 0 H TRP A 8 -13.910 -5.478 0.608 1.00 0.00 H new ATOM 0 HA TRP A 8 -15.574 -4.075 0.163 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -14.837 -2.563 2.694 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -16.395 -2.591 1.893 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -16.524 -5.844 1.496 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -17.036 -7.333 3.546 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -15.198 -2.544 5.167 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -16.876 -7.090 6.344 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -15.407 -3.247 7.517 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -16.234 -5.492 8.097 1.00 0.00 H new ATOM 128 N LYS A 9 -13.836 -2.563 -1.130 1.00 0.00 N ATOM 129 CA LYS A 9 -13.279 -1.468 -1.915 1.00 0.00 C ATOM 130 C LYS A 9 -14.000 -1.336 -3.253 1.00 0.00 C ATOM 131 O LYS A 9 -13.931 -0.295 -3.906 1.00 0.00 O ATOM 132 CB LYS A 9 -11.783 -1.692 -2.150 1.00 0.00 C ATOM 133 CG LYS A 9 -10.975 -0.406 -2.191 1.00 0.00 C ATOM 134 CD LYS A 9 -11.095 0.369 -0.890 1.00 0.00 C ATOM 135 CE LYS A 9 -10.042 1.463 -0.794 1.00 0.00 C ATOM 136 NZ LYS A 9 -8.967 1.114 0.176 1.00 0.00 N ATOM 0 H LYS A 9 -13.853 -3.462 -1.612 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.419 -0.544 -1.354 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.391 -2.332 -1.360 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.647 -2.227 -3.090 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -9.927 -0.639 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.319 0.215 -3.018 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -12.089 0.812 -0.819 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -10.989 -0.314 -0.047 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.603 1.632 -1.777 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.515 2.397 -0.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.796 1.920 0.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -9.260 0.289 0.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -8.093 0.889 -0.341 1.00 0.00 H new ATOM 150 N GLY A 10 -14.693 -2.397 -3.654 1.00 0.00 N ATOM 151 CA GLY A 10 -15.418 -2.378 -4.912 1.00 0.00 C ATOM 152 C GLY A 10 -14.725 -3.183 -5.993 1.00 0.00 C ATOM 153 O GLY A 10 -13.556 -2.948 -6.300 1.00 0.00 O ATOM 0 H GLY A 10 -14.766 -3.270 -3.131 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.421 -2.774 -4.755 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.531 -1.347 -5.247 1.00 0.00 H new ATOM 157 N CYS A 11 -15.446 -4.137 -6.572 1.00 0.00 N ATOM 158 CA CYS A 11 -14.894 -4.982 -7.623 1.00 0.00 C ATOM 159 C CYS A 11 -15.869 -5.105 -8.791 1.00 0.00 C ATOM 160 O CYS A 11 -16.024 -6.178 -9.375 1.00 0.00 O ATOM 161 CB CYS A 11 -14.565 -6.370 -7.071 1.00 0.00 C ATOM 162 SG CYS A 11 -15.990 -7.235 -6.335 1.00 0.00 S ATOM 0 H CYS A 11 -16.415 -4.344 -6.330 1.00 0.00 H new ATOM 0 HA CYS A 11 -13.978 -4.516 -7.985 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -14.158 -6.982 -7.876 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.783 -6.274 -6.317 1.00 0.00 H new ATOM 167 N VAL A 12 -16.525 -3.998 -9.126 1.00 0.00 N ATOM 168 CA VAL A 12 -17.484 -3.981 -10.224 1.00 0.00 C ATOM 169 C VAL A 12 -16.822 -4.377 -11.538 1.00 0.00 C ATOM 170 O VAL A 12 -17.493 -4.783 -12.486 1.00 0.00 O ATOM 171 CB VAL A 12 -18.128 -2.591 -10.385 1.00 0.00 C ATOM 172 CG1 VAL A 12 -19.023 -2.276 -9.196 1.00 0.00 C ATOM 173 CG2 VAL A 12 -17.056 -1.524 -10.553 1.00 0.00 C ATOM 0 H VAL A 12 -16.410 -3.102 -8.653 1.00 0.00 H new ATOM 0 HA VAL A 12 -18.259 -4.707 -9.978 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.746 -2.598 -11.283 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.469 -1.290 -9.327 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.812 -3.025 -9.126 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.430 -2.287 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.528 -0.548 -10.665 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.410 -1.516 -9.675 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.460 -1.743 -11.439 1.00 0.00 H new ATOM 183 N ASN A 13 -15.499 -4.257 -11.588 1.00 0.00 N ATOM 184 CA ASN A 13 -14.745 -4.603 -12.787 1.00 0.00 C ATOM 185 C ASN A 13 -13.575 -5.522 -12.448 1.00 0.00 C ATOM 186 O ASN A 13 -13.274 -6.459 -13.187 1.00 0.00 O ATOM 187 CB ASN A 13 -14.230 -3.337 -13.474 1.00 0.00 C ATOM 188 CG ASN A 13 -15.330 -2.583 -14.196 1.00 0.00 C ATOM 189 OD1 ASN A 13 -15.946 -3.102 -15.127 1.00 0.00 O ATOM 190 ND2 ASN A 13 -15.582 -1.351 -13.768 1.00 0.00 N ATOM 0 H ASN A 13 -14.927 -3.923 -10.812 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.414 -5.131 -13.466 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -13.773 -2.684 -12.731 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.449 -3.605 -14.186 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.311 -0.795 -14.215 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.046 -0.961 -12.993 1.00 0.00 H new ATOM 197 N ARG A 14 -12.920 -5.247 -11.325 1.00 0.00 N ATOM 198 CA ARG A 14 -11.783 -6.048 -10.888 1.00 0.00 C ATOM 199 C ARG A 14 -12.224 -7.124 -9.900 1.00 0.00 C ATOM 200 O ARG A 14 -12.042 -6.983 -8.690 1.00 0.00 O ATOM 201 CB ARG A 14 -10.720 -5.155 -10.245 1.00 0.00 C ATOM 202 CG ARG A 14 -10.050 -4.205 -11.224 1.00 0.00 C ATOM 203 CD ARG A 14 -8.553 -4.107 -10.970 1.00 0.00 C ATOM 204 NE ARG A 14 -8.017 -2.804 -11.353 1.00 0.00 N ATOM 205 CZ ARG A 14 -8.303 -1.675 -10.715 1.00 0.00 C ATOM 206 NH1 ARG A 14 -9.116 -1.689 -9.667 1.00 0.00 N ATOM 207 NH2 ARG A 14 -7.775 -0.528 -11.124 1.00 0.00 N ATOM 0 H ARG A 14 -13.157 -4.476 -10.701 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.356 -6.536 -11.764 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.180 -4.574 -9.446 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.959 -5.785 -9.784 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.225 -4.548 -12.244 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.500 -3.216 -11.139 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.352 -4.285 -9.914 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.039 -4.889 -11.529 1.00 0.00 H new ATOM 0 HE ARG A 14 -7.388 -2.758 -12.155 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -9.523 -2.569 -9.349 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -9.334 -0.820 -9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -7.149 -0.513 -11.929 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -7.995 0.339 -10.633 1.00 0.00 H new ATOM 221 N HIS A 15 -12.804 -8.199 -10.424 1.00 0.00 N ATOM 222 CA HIS A 15 -13.271 -9.299 -9.589 1.00 0.00 C ATOM 223 C HIS A 15 -12.098 -10.130 -9.079 1.00 0.00 C ATOM 224 O HIS A 15 -11.983 -10.391 -7.882 1.00 0.00 O ATOM 225 CB HIS A 15 -14.238 -10.188 -10.372 1.00 0.00 C ATOM 226 CG HIS A 15 -15.501 -9.490 -10.774 1.00 0.00 C ATOM 227 ND1 HIS A 15 -15.514 -8.289 -11.452 1.00 0.00 N ATOM 228 CD2 HIS A 15 -16.798 -9.831 -10.592 1.00 0.00 C ATOM 229 CE1 HIS A 15 -16.764 -7.921 -11.668 1.00 0.00 C ATOM 230 NE2 HIS A 15 -17.563 -8.840 -11.156 1.00 0.00 N ATOM 0 H HIS A 15 -12.962 -8.331 -11.423 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.793 -8.874 -8.732 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.736 -10.557 -11.266 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.490 -11.058 -9.766 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -17.163 -10.718 -10.095 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.079 -7.022 -12.177 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.583 -8.817 -11.176 1.00 0.00 H new ATOM 238 N GLY A 16 -11.229 -10.544 -9.996 1.00 0.00 N ATOM 239 CA GLY A 16 -10.076 -11.342 -9.620 1.00 0.00 C ATOM 240 C GLY A 16 -8.844 -10.497 -9.366 1.00 0.00 C ATOM 241 O GLY A 16 -7.817 -10.671 -10.023 1.00 0.00 O ATOM 0 H GLY A 16 -11.303 -10.341 -10.993 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.311 -11.915 -8.723 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.863 -12.062 -10.410 1.00 0.00 H new ATOM 245 N ASP A 17 -8.945 -9.577 -8.413 1.00 0.00 N ATOM 246 CA ASP A 17 -7.830 -8.701 -8.075 1.00 0.00 C ATOM 247 C ASP A 17 -7.835 -8.365 -6.586 1.00 0.00 C ATOM 248 O ASP A 17 -7.177 -7.420 -6.150 1.00 0.00 O ATOM 249 CB ASP A 17 -7.895 -7.415 -8.900 1.00 0.00 C ATOM 250 CG ASP A 17 -8.120 -7.685 -10.375 1.00 0.00 C ATOM 251 OD1 ASP A 17 -9.245 -8.088 -10.740 1.00 0.00 O ATOM 252 OD2 ASP A 17 -7.172 -7.493 -11.165 1.00 0.00 O ATOM 0 H ASP A 17 -9.788 -9.419 -7.861 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.904 -9.227 -8.308 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.700 -6.784 -8.522 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -6.967 -6.858 -8.773 1.00 0.00 H new ATOM 257 N CYS A 18 -8.583 -9.144 -5.812 1.00 0.00 N ATOM 258 CA CYS A 18 -8.676 -8.929 -4.373 1.00 0.00 C ATOM 259 C CYS A 18 -7.442 -9.476 -3.661 1.00 0.00 C ATOM 260 O CYS A 18 -6.899 -10.512 -4.044 1.00 0.00 O ATOM 261 CB CYS A 18 -9.936 -9.594 -3.817 1.00 0.00 C ATOM 262 SG CYS A 18 -11.431 -9.309 -4.819 1.00 0.00 S ATOM 0 H CYS A 18 -9.134 -9.930 -6.157 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.731 -7.855 -4.194 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.763 -10.667 -3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.113 -9.225 -2.807 1.00 0.00 H new ATOM 267 N CYS A 19 -7.005 -8.772 -2.622 1.00 0.00 N ATOM 268 CA CYS A 19 -5.836 -9.185 -1.855 1.00 0.00 C ATOM 269 C CYS A 19 -5.980 -10.628 -1.379 1.00 0.00 C ATOM 270 O CYS A 19 -7.085 -11.167 -1.326 1.00 0.00 O ATOM 271 CB CYS A 19 -5.634 -8.258 -0.655 1.00 0.00 C ATOM 272 SG CYS A 19 -5.541 -6.491 -1.087 1.00 0.00 S ATOM 0 H CYS A 19 -7.443 -7.912 -2.292 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.964 -9.121 -2.506 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.454 -8.407 0.047 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.717 -8.544 -0.139 1.00 0.00 H new ATOM 277 N GLU A 20 -4.855 -11.246 -1.033 1.00 0.00 N ATOM 278 CA GLU A 20 -4.857 -12.626 -0.562 1.00 0.00 C ATOM 279 C GLU A 20 -5.856 -12.811 0.577 1.00 0.00 C ATOM 280 O GLU A 20 -5.820 -12.090 1.572 1.00 0.00 O ATOM 281 CB GLU A 20 -3.456 -13.031 -0.096 1.00 0.00 C ATOM 282 CG GLU A 20 -3.357 -14.482 0.343 1.00 0.00 C ATOM 283 CD GLU A 20 -1.939 -14.890 0.693 1.00 0.00 C ATOM 284 OE1 GLU A 20 -1.040 -14.026 0.624 1.00 0.00 O ATOM 285 OE2 GLU A 20 -1.728 -16.072 1.035 1.00 0.00 O ATOM 0 H GLU A 20 -3.932 -10.814 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.156 -13.266 -1.392 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.748 -12.856 -0.906 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.158 -12.388 0.732 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -4.001 -14.641 1.208 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.730 -15.125 -0.454 1.00 0.00 H new ATOM 292 N GLY A 21 -6.748 -13.784 0.421 1.00 0.00 N ATOM 293 CA GLY A 21 -7.746 -14.047 1.442 1.00 0.00 C ATOM 294 C GLY A 21 -9.038 -13.293 1.197 1.00 0.00 C ATOM 295 O GLY A 21 -9.914 -13.252 2.062 1.00 0.00 O ATOM 0 H GLY A 21 -6.798 -14.395 -0.394 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.954 -15.116 1.476 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.346 -13.769 2.417 1.00 0.00 H new ATOM 299 N LEU A 22 -9.158 -12.694 0.018 1.00 0.00 N ATOM 300 CA LEU A 22 -10.352 -11.936 -0.338 1.00 0.00 C ATOM 301 C LEU A 22 -11.016 -12.518 -1.582 1.00 0.00 C ATOM 302 O LEU A 22 -10.389 -13.253 -2.344 1.00 0.00 O ATOM 303 CB LEU A 22 -9.996 -10.467 -0.575 1.00 0.00 C ATOM 304 CG LEU A 22 -9.296 -9.752 0.581 1.00 0.00 C ATOM 305 CD1 LEU A 22 -9.107 -8.277 0.260 1.00 0.00 C ATOM 306 CD2 LEU A 22 -10.087 -9.921 1.871 1.00 0.00 C ATOM 0 H LEU A 22 -8.442 -12.718 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 22 -11.056 -12.003 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.355 -10.406 -1.455 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.912 -9.925 -0.810 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.313 -10.202 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.607 -7.784 1.094 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.499 -8.175 -0.639 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.079 -7.813 0.094 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.574 -9.406 2.683 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.083 -9.498 1.745 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.171 -10.981 2.110 1.00 0.00 H new ATOM 318 N GLU A 23 -12.286 -12.180 -1.781 1.00 0.00 N ATOM 319 CA GLU A 23 -13.033 -12.669 -2.934 1.00 0.00 C ATOM 320 C GLU A 23 -14.150 -11.698 -3.310 1.00 0.00 C ATOM 321 O GLU A 23 -14.891 -11.223 -2.449 1.00 0.00 O ATOM 322 CB GLU A 23 -13.622 -14.050 -2.641 1.00 0.00 C ATOM 323 CG GLU A 23 -14.263 -14.160 -1.268 1.00 0.00 C ATOM 324 CD GLU A 23 -15.186 -15.358 -1.150 1.00 0.00 C ATOM 325 OE1 GLU A 23 -14.787 -16.459 -1.582 1.00 0.00 O ATOM 326 OE2 GLU A 23 -16.306 -15.193 -0.624 1.00 0.00 O ATOM 0 H GLU A 23 -12.818 -11.571 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.343 -12.747 -3.774 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.367 -14.286 -3.400 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.833 -14.797 -2.725 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.482 -14.232 -0.511 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.826 -13.250 -1.060 1.00 0.00 H new ATOM 333 N CYS A 24 -14.263 -11.407 -4.602 1.00 0.00 N ATOM 334 CA CYS A 24 -15.287 -10.493 -5.093 1.00 0.00 C ATOM 335 C CYS A 24 -16.681 -11.079 -4.892 1.00 0.00 C ATOM 336 O CYS A 24 -16.945 -12.222 -5.265 1.00 0.00 O ATOM 337 CB CYS A 24 -15.059 -10.188 -6.575 1.00 0.00 C ATOM 338 SG CYS A 24 -16.232 -8.983 -7.275 1.00 0.00 S ATOM 0 H CYS A 24 -13.658 -11.791 -5.328 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.216 -9.567 -4.523 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.045 -9.810 -6.705 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.128 -11.117 -7.141 1.00 0.00 H new ATOM 343 N TRP A 25 -17.569 -10.288 -4.301 1.00 0.00 N ATOM 344 CA TRP A 25 -18.937 -10.728 -4.050 1.00 0.00 C ATOM 345 C TRP A 25 -19.941 -9.775 -4.690 1.00 0.00 C ATOM 346 O TRP A 25 -19.722 -8.565 -4.735 1.00 0.00 O ATOM 347 CB TRP A 25 -19.196 -10.827 -2.546 1.00 0.00 C ATOM 348 CG TRP A 25 -20.580 -11.294 -2.210 1.00 0.00 C ATOM 349 CD1 TRP A 25 -21.717 -10.539 -2.191 1.00 0.00 C ATOM 350 CD2 TRP A 25 -20.971 -12.622 -1.845 1.00 0.00 C ATOM 351 NE1 TRP A 25 -22.792 -11.317 -1.834 1.00 0.00 N ATOM 352 CE2 TRP A 25 -22.361 -12.599 -1.618 1.00 0.00 C ATOM 353 CE3 TRP A 25 -20.283 -13.828 -1.689 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -23.072 -13.736 -1.243 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -20.990 -14.955 -1.316 1.00 0.00 C ATOM 356 CH2 TRP A 25 -22.373 -14.903 -1.097 1.00 0.00 C ATOM 0 H TRP A 25 -17.367 -9.339 -3.987 1.00 0.00 H new ATOM 0 HA TRP A 25 -19.063 -11.714 -4.498 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -18.472 -11.512 -2.104 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -19.029 -9.851 -2.091 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -21.765 -9.485 -2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -23.755 -10.992 -1.744 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -19.217 -13.878 -1.857 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -24.138 -13.698 -1.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -20.468 -15.892 -1.191 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -22.897 -15.802 -0.807 1.00 0.00 H new ATOM 367 N LYS A 26 -21.044 -10.328 -5.182 1.00 0.00 N ATOM 368 CA LYS A 26 -22.084 -9.528 -5.818 1.00 0.00 C ATOM 369 C LYS A 26 -23.265 -9.322 -4.875 1.00 0.00 C ATOM 370 O LYS A 26 -24.018 -10.255 -4.595 1.00 0.00 O ATOM 371 CB LYS A 26 -22.559 -10.202 -7.107 1.00 0.00 C ATOM 372 CG LYS A 26 -23.853 -9.624 -7.655 1.00 0.00 C ATOM 373 CD LYS A 26 -23.735 -8.130 -7.902 1.00 0.00 C ATOM 374 CE LYS A 26 -25.049 -7.542 -8.395 1.00 0.00 C ATOM 375 NZ LYS A 26 -24.842 -6.268 -9.139 1.00 0.00 N ATOM 0 H LYS A 26 -21.241 -11.328 -5.153 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.660 -8.553 -6.060 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.780 -10.109 -7.864 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.697 -11.267 -6.921 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.112 -10.128 -8.586 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.664 -9.815 -6.952 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -23.434 -7.630 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -22.952 -7.942 -8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -25.550 -8.263 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.708 -7.364 -7.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.761 -5.899 -9.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -24.387 -5.571 -8.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.233 -6.443 -9.964 1.00 0.00 H new ATOM 389 N ARG A 27 -23.422 -8.094 -4.389 1.00 0.00 N ATOM 390 CA ARG A 27 -24.511 -7.767 -3.478 1.00 0.00 C ATOM 391 C ARG A 27 -25.607 -6.988 -4.199 1.00 0.00 C ATOM 392 O ARG A 27 -25.329 -6.185 -5.090 1.00 0.00 O ATOM 393 CB ARG A 27 -23.987 -6.952 -2.294 1.00 0.00 C ATOM 394 CG ARG A 27 -23.557 -7.805 -1.111 1.00 0.00 C ATOM 395 CD ARG A 27 -23.727 -7.059 0.203 1.00 0.00 C ATOM 396 NE ARG A 27 -22.688 -6.051 0.398 1.00 0.00 N ATOM 397 CZ ARG A 27 -22.387 -5.525 1.580 1.00 0.00 C ATOM 398 NH1 ARG A 27 -23.042 -5.910 2.667 1.00 0.00 N ATOM 399 NH2 ARG A 27 -21.429 -4.612 1.677 1.00 0.00 N ATOM 0 H ARG A 27 -22.808 -7.310 -4.612 1.00 0.00 H new ATOM 0 HA ARG A 27 -24.935 -8.701 -3.109 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.140 -6.350 -2.624 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -24.763 -6.259 -1.969 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -24.146 -8.722 -1.089 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -22.514 -8.098 -1.232 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.706 -6.580 0.224 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -23.702 -7.770 1.029 1.00 0.00 H new ATOM 0 HE ARG A 27 -22.165 -5.734 -0.418 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -23.779 -6.612 2.597 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -22.809 -5.504 3.573 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -20.923 -4.313 0.843 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -21.199 -4.209 2.585 1.00 0.00 H new ATOM 413 N ARG A 28 -26.854 -7.231 -3.808 1.00 0.00 N ATOM 414 CA ARG A 28 -27.992 -6.554 -4.418 1.00 0.00 C ATOM 415 C ARG A 28 -28.207 -5.179 -3.791 1.00 0.00 C ATOM 416 O ARG A 28 -28.599 -4.230 -4.470 1.00 0.00 O ATOM 417 CB ARG A 28 -29.258 -7.399 -4.265 1.00 0.00 C ATOM 418 CG ARG A 28 -30.363 -7.023 -5.239 1.00 0.00 C ATOM 419 CD ARG A 28 -31.300 -5.984 -4.643 1.00 0.00 C ATOM 420 NE ARG A 28 -32.334 -5.573 -5.589 1.00 0.00 N ATOM 421 CZ ARG A 28 -32.092 -4.835 -6.667 1.00 0.00 C ATOM 422 NH1 ARG A 28 -30.859 -4.430 -6.934 1.00 0.00 N ATOM 423 NH2 ARG A 28 -33.086 -4.502 -7.481 1.00 0.00 N ATOM 0 H ARG A 28 -27.102 -7.892 -3.071 1.00 0.00 H new ATOM 0 HA ARG A 28 -27.778 -6.422 -5.478 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -29.003 -8.449 -4.406 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.632 -7.296 -3.247 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -29.923 -6.634 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.930 -7.914 -5.509 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -31.769 -6.390 -3.747 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -30.724 -5.112 -4.334 1.00 0.00 H new ATOM 0 HE ARG A 28 -33.294 -5.869 -5.413 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -30.092 -4.685 -6.311 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -30.676 -3.864 -7.762 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -34.036 -4.813 -7.279 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -32.900 -3.935 -8.308 1.00 0.00 H new ATOM 437 N ARG A 29 -27.948 -5.081 -2.491 1.00 0.00 N ATOM 438 CA ARG A 29 -28.114 -3.823 -1.772 1.00 0.00 C ATOM 439 C ARG A 29 -26.882 -2.938 -1.932 1.00 0.00 C ATOM 440 O ARG A 29 -26.968 -1.714 -1.834 1.00 0.00 O ATOM 441 CB ARG A 29 -28.375 -4.091 -0.288 1.00 0.00 C ATOM 442 CG ARG A 29 -29.132 -2.972 0.408 1.00 0.00 C ATOM 443 CD ARG A 29 -30.636 -3.186 0.330 1.00 0.00 C ATOM 444 NE ARG A 29 -31.356 -2.368 1.303 1.00 0.00 N ATOM 445 CZ ARG A 29 -31.369 -2.620 2.608 1.00 0.00 C ATOM 446 NH1 ARG A 29 -30.705 -3.660 3.092 1.00 0.00 N ATOM 447 NH2 ARG A 29 -32.048 -1.830 3.430 1.00 0.00 N ATOM 0 H ARG A 29 -27.623 -5.857 -1.914 1.00 0.00 H new ATOM 0 HA ARG A 29 -28.971 -3.301 -2.196 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -28.940 -5.018 -0.189 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -27.422 -4.243 0.218 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -28.825 -2.918 1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -28.875 -2.017 -0.050 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -30.985 -2.946 -0.674 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -30.862 -4.238 0.503 1.00 0.00 H new ATOM 0 HE ARG A 29 -31.877 -1.560 0.962 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -30.182 -4.269 2.463 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -30.717 -3.851 4.094 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -32.560 -1.029 3.060 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -32.058 -2.024 4.431 1.00 0.00 H new ATOM 461 N SER A 30 -25.736 -3.566 -2.177 1.00 0.00 N ATOM 462 CA SER A 30 -24.485 -2.836 -2.346 1.00 0.00 C ATOM 463 C SER A 30 -23.723 -3.340 -3.568 1.00 0.00 C ATOM 464 O SER A 30 -23.734 -4.533 -3.872 1.00 0.00 O ATOM 465 CB SER A 30 -23.616 -2.975 -1.095 1.00 0.00 C ATOM 466 OG SER A 30 -22.586 -2.002 -1.078 1.00 0.00 O ATOM 0 H SER A 30 -25.648 -4.579 -2.263 1.00 0.00 H new ATOM 0 HA SER A 30 -24.724 -1.783 -2.498 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.236 -2.869 -0.205 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.178 -3.973 -1.062 1.00 0.00 H new ATOM 0 HG SER A 30 -22.046 -2.111 -0.268 1.00 0.00 H new ATOM 472 N PHE A 31 -23.061 -2.422 -4.264 1.00 0.00 N ATOM 473 CA PHE A 31 -22.293 -2.771 -5.454 1.00 0.00 C ATOM 474 C PHE A 31 -21.292 -3.881 -5.148 1.00 0.00 C ATOM 475 O PHE A 31 -20.957 -4.127 -3.990 1.00 0.00 O ATOM 476 CB PHE A 31 -21.560 -1.542 -5.993 1.00 0.00 C ATOM 477 CG PHE A 31 -20.834 -0.764 -4.933 1.00 0.00 C ATOM 478 CD1 PHE A 31 -19.591 -1.177 -4.480 1.00 0.00 C ATOM 479 CD2 PHE A 31 -21.395 0.380 -4.388 1.00 0.00 C ATOM 480 CE1 PHE A 31 -18.920 -0.463 -3.505 1.00 0.00 C ATOM 481 CE2 PHE A 31 -20.729 1.098 -3.413 1.00 0.00 C ATOM 482 CZ PHE A 31 -19.491 0.675 -2.970 1.00 0.00 C ATOM 0 H PHE A 31 -23.041 -1.431 -4.025 1.00 0.00 H new ATOM 0 HA PHE A 31 -22.988 -3.131 -6.212 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.846 -1.859 -6.753 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.279 -0.887 -6.485 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -19.141 -2.067 -4.894 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -22.364 0.714 -4.729 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.951 -0.794 -3.162 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -21.176 1.989 -2.998 1.00 0.00 H new ATOM 0 HZ PHE A 31 -18.970 1.233 -2.206 1.00 0.00 H new ATOM 492 N GLU A 32 -20.819 -4.549 -6.196 1.00 0.00 N ATOM 493 CA GLU A 32 -19.857 -5.634 -6.039 1.00 0.00 C ATOM 494 C GLU A 32 -18.611 -5.153 -5.302 1.00 0.00 C ATOM 495 O GLU A 32 -18.036 -4.118 -5.639 1.00 0.00 O ATOM 496 CB GLU A 32 -19.467 -6.201 -7.406 1.00 0.00 C ATOM 497 CG GLU A 32 -20.654 -6.671 -8.230 1.00 0.00 C ATOM 498 CD GLU A 32 -20.331 -7.887 -9.076 1.00 0.00 C ATOM 499 OE1 GLU A 32 -19.554 -8.746 -8.608 1.00 0.00 O ATOM 500 OE2 GLU A 32 -20.854 -7.981 -10.206 1.00 0.00 O ATOM 0 H GLU A 32 -21.086 -4.358 -7.162 1.00 0.00 H new ATOM 0 HA GLU A 32 -20.327 -6.420 -5.448 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.926 -5.438 -7.966 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.782 -7.036 -7.262 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -21.484 -6.907 -7.564 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.986 -5.860 -8.878 1.00 0.00 H new ATOM 507 N VAL A 33 -18.198 -5.913 -4.292 1.00 0.00 N ATOM 508 CA VAL A 33 -17.020 -5.566 -3.506 1.00 0.00 C ATOM 509 C VAL A 33 -16.254 -6.815 -3.083 1.00 0.00 C ATOM 510 O VAL A 33 -16.818 -7.907 -3.008 1.00 0.00 O ATOM 511 CB VAL A 33 -17.400 -4.760 -2.250 1.00 0.00 C ATOM 512 CG1 VAL A 33 -17.856 -3.360 -2.631 1.00 0.00 C ATOM 513 CG2 VAL A 33 -18.479 -5.485 -1.460 1.00 0.00 C ATOM 0 H VAL A 33 -18.662 -6.773 -3.999 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.384 -4.952 -4.144 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.517 -4.668 -1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.120 -2.806 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.049 -2.844 -3.151 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.726 -3.426 -3.285 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -18.736 -4.902 -0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -19.365 -5.609 -2.083 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -18.110 -6.464 -1.155 1.00 0.00 H new ATOM 523 N CYS A 34 -14.965 -6.647 -2.807 1.00 0.00 N ATOM 524 CA CYS A 34 -14.121 -7.760 -2.390 1.00 0.00 C ATOM 525 C CYS A 34 -14.328 -8.077 -0.912 1.00 0.00 C ATOM 526 O CYS A 34 -13.820 -7.375 -0.038 1.00 0.00 O ATOM 527 CB CYS A 34 -12.648 -7.435 -2.652 1.00 0.00 C ATOM 528 SG CYS A 34 -12.172 -7.508 -4.408 1.00 0.00 S ATOM 0 H CYS A 34 -14.482 -5.750 -2.865 1.00 0.00 H new ATOM 0 HA CYS A 34 -14.403 -8.636 -2.974 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.434 -6.437 -2.270 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -12.027 -8.132 -2.089 1.00 0.00 H new ATOM 533 N VAL A 35 -15.078 -9.140 -0.640 1.00 0.00 N ATOM 534 CA VAL A 35 -15.353 -9.552 0.731 1.00 0.00 C ATOM 535 C VAL A 35 -14.279 -10.506 1.243 1.00 0.00 C ATOM 536 O VAL A 35 -13.627 -11.215 0.477 1.00 0.00 O ATOM 537 CB VAL A 35 -16.728 -10.235 0.848 1.00 0.00 C ATOM 538 CG1 VAL A 35 -17.845 -9.232 0.603 1.00 0.00 C ATOM 539 CG2 VAL A 35 -16.827 -11.402 -0.123 1.00 0.00 C ATOM 0 H VAL A 35 -15.506 -9.732 -1.352 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.353 -8.647 1.339 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.836 -10.624 1.861 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.809 -9.733 0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.784 -8.432 1.341 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.743 -8.811 -0.397 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.805 -11.873 -0.027 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.698 -11.039 -1.143 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.049 -12.131 0.104 1.00 0.00 H new ATOM 549 N PRO A 36 -14.090 -10.525 2.571 1.00 0.00 N ATOM 550 CA PRO A 36 -13.096 -11.388 3.217 1.00 0.00 C ATOM 551 C PRO A 36 -13.479 -12.862 3.151 1.00 0.00 C ATOM 552 O PRO A 36 -14.602 -13.238 3.491 1.00 0.00 O ATOM 553 CB PRO A 36 -13.092 -10.900 4.668 1.00 0.00 C ATOM 554 CG PRO A 36 -14.440 -10.299 4.869 1.00 0.00 C ATOM 555 CD PRO A 36 -14.831 -9.705 3.544 1.00 0.00 C ATOM 0 HA PRO A 36 -12.123 -11.325 2.730 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.918 -11.722 5.362 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.303 -10.168 4.837 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.160 -11.053 5.186 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.415 -9.536 5.647 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.907 -9.761 3.380 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.553 -8.653 3.477 1.00 0.00 H new ATOM 563 N LYS A 37 -12.540 -13.694 2.714 1.00 0.00 N ATOM 564 CA LYS A 37 -12.778 -15.129 2.606 1.00 0.00 C ATOM 565 C LYS A 37 -13.054 -15.739 3.976 1.00 0.00 C ATOM 566 O LYS A 37 -12.419 -15.379 4.968 1.00 0.00 O ATOM 567 CB LYS A 37 -11.574 -15.819 1.961 1.00 0.00 C ATOM 568 CG LYS A 37 -11.364 -15.441 0.505 1.00 0.00 C ATOM 569 CD LYS A 37 -10.127 -16.109 -0.071 1.00 0.00 C ATOM 570 CE LYS A 37 -10.463 -17.449 -0.709 1.00 0.00 C ATOM 571 NZ LYS A 37 -9.286 -18.047 -1.396 1.00 0.00 N ATOM 0 H LYS A 37 -11.606 -13.399 2.429 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.655 -15.281 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.676 -15.568 2.526 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.704 -16.899 2.032 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.239 -15.730 -0.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.268 -14.359 0.419 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.672 -15.455 -0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.390 -16.255 0.719 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.824 -18.135 0.057 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.273 -17.317 -1.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.556 -18.959 -1.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.957 -17.404 -2.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.521 -18.197 -0.707 1.00 0.00 H new