USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=2 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+ 145:sc= 1.07 (180deg=0.304) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.298 K(o=-0.3,f=-2.3!) USER MOD Single : A 15 HIS : no HD1:sc= -0.315 K(o=-0.32,f=-1.2) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc=-0.00133 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N CYS A 4 -3.364 -4.641 -4.917 1.00 0.00 N ATOM 40 CA CYS A 4 -4.526 -5.498 -4.716 1.00 0.00 C ATOM 41 C CYS A 4 -5.666 -4.724 -4.061 1.00 0.00 C ATOM 42 O CYS A 4 -5.449 -3.676 -3.452 1.00 0.00 O ATOM 43 CB CYS A 4 -4.153 -6.706 -3.854 1.00 0.00 C ATOM 44 SG CYS A 4 -3.650 -6.280 -2.156 1.00 0.00 S ATOM 0 HA CYS A 4 -4.861 -5.847 -5.692 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.005 -7.384 -3.810 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.340 -7.247 -4.338 1.00 0.00 H new ATOM 49 N ILE A 5 -6.880 -5.248 -4.190 1.00 0.00 N ATOM 50 CA ILE A 5 -8.054 -4.608 -3.609 1.00 0.00 C ATOM 51 C ILE A 5 -8.245 -5.026 -2.155 1.00 0.00 C ATOM 52 O ILE A 5 -8.299 -6.212 -1.826 1.00 0.00 O ATOM 53 CB ILE A 5 -9.330 -4.946 -4.401 1.00 0.00 C ATOM 54 CG1 ILE A 5 -9.127 -4.651 -5.889 1.00 0.00 C ATOM 55 CG2 ILE A 5 -10.515 -4.163 -3.857 1.00 0.00 C ATOM 56 CD1 ILE A 5 -10.389 -4.788 -6.710 1.00 0.00 C ATOM 0 H ILE A 5 -7.077 -6.114 -4.692 1.00 0.00 H new ATOM 0 HA ILE A 5 -7.882 -3.533 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.539 -6.010 -4.286 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.739 -3.639 -6.001 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.370 -5.328 -6.285 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.409 -4.413 -4.428 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.670 -4.419 -2.809 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.316 -3.095 -3.944 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.170 -4.564 -7.754 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.767 -5.807 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.141 -4.091 -6.340 1.00 0.00 H new ATOM 68 N PRO A 6 -8.354 -4.031 -1.262 1.00 0.00 N ATOM 69 CA PRO A 6 -8.544 -4.271 0.171 1.00 0.00 C ATOM 70 C PRO A 6 -9.925 -4.836 0.486 1.00 0.00 C ATOM 71 O PRO A 6 -10.675 -5.210 -0.416 1.00 0.00 O ATOM 72 CB PRO A 6 -8.381 -2.880 0.789 1.00 0.00 C ATOM 73 CG PRO A 6 -8.741 -1.936 -0.306 1.00 0.00 C ATOM 74 CD PRO A 6 -8.299 -2.595 -1.584 1.00 0.00 C ATOM 0 HA PRO A 6 -7.841 -5.009 0.557 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.033 -2.752 1.653 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.360 -2.717 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.814 -1.743 -0.317 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.245 -0.975 -0.171 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -8.958 -2.344 -2.415 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.294 -2.285 -1.870 1.00 0.00 H new ATOM 82 N LYS A 7 -10.256 -4.895 1.772 1.00 0.00 N ATOM 83 CA LYS A 7 -11.547 -5.412 2.207 1.00 0.00 C ATOM 84 C LYS A 7 -12.650 -4.383 1.980 1.00 0.00 C ATOM 85 O LYS A 7 -12.649 -3.313 2.589 1.00 0.00 O ATOM 86 CB LYS A 7 -11.493 -5.799 3.687 1.00 0.00 C ATOM 87 CG LYS A 7 -12.638 -6.696 4.124 1.00 0.00 C ATOM 88 CD LYS A 7 -12.615 -6.939 5.624 1.00 0.00 C ATOM 89 CE LYS A 7 -12.819 -5.647 6.400 1.00 0.00 C ATOM 90 NZ LYS A 7 -13.297 -5.903 7.787 1.00 0.00 N ATOM 0 H LYS A 7 -9.647 -4.591 2.531 1.00 0.00 H new ATOM 0 HA LYS A 7 -11.773 -6.298 1.614 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.549 -6.306 3.887 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.502 -4.892 4.291 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.587 -6.239 3.843 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.575 -7.649 3.599 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.395 -7.652 5.890 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.663 -7.388 5.907 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -11.881 -5.093 6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.541 -5.019 5.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.889 -5.196 8.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.335 -5.838 7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.002 -6.854 8.086 1.00 0.00 H new ATOM 104 N TRP A 8 -13.590 -4.715 1.102 1.00 0.00 N ATOM 105 CA TRP A 8 -14.700 -3.819 0.796 1.00 0.00 C ATOM 106 C TRP A 8 -14.199 -2.532 0.152 1.00 0.00 C ATOM 107 O TRP A 8 -14.182 -1.475 0.783 1.00 0.00 O ATOM 108 CB TRP A 8 -15.486 -3.495 2.068 1.00 0.00 C ATOM 109 CG TRP A 8 -15.847 -4.709 2.869 1.00 0.00 C ATOM 110 CD1 TRP A 8 -16.131 -5.955 2.386 1.00 0.00 C ATOM 111 CD2 TRP A 8 -15.965 -4.792 4.293 1.00 0.00 C ATOM 112 NE1 TRP A 8 -16.419 -6.807 3.424 1.00 0.00 N ATOM 113 CE2 TRP A 8 -16.323 -6.119 4.605 1.00 0.00 C ATOM 114 CE3 TRP A 8 -15.801 -3.877 5.336 1.00 0.00 C ATOM 115 CZ2 TRP A 8 -16.520 -6.548 5.914 1.00 0.00 C ATOM 116 CZ3 TRP A 8 -15.998 -4.304 6.635 1.00 0.00 C ATOM 117 CH2 TRP A 8 -16.353 -5.630 6.915 1.00 0.00 C ATOM 0 H TRP A 8 -13.606 -5.597 0.590 1.00 0.00 H new ATOM 0 HA TRP A 8 -15.358 -4.324 0.089 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -14.896 -2.821 2.689 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -16.398 -2.963 1.797 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -16.129 -6.230 1.342 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -16.665 -7.793 3.331 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -15.525 -2.853 5.130 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -16.795 -7.569 6.132 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -15.876 -3.604 7.448 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -16.498 -5.934 7.941 1.00 0.00 H new ATOM 128 N LYS A 9 -13.791 -2.626 -1.109 1.00 0.00 N ATOM 129 CA LYS A 9 -13.290 -1.469 -1.841 1.00 0.00 C ATOM 130 C LYS A 9 -14.053 -1.279 -3.148 1.00 0.00 C ATOM 131 O LYS A 9 -14.053 -0.194 -3.727 1.00 0.00 O ATOM 132 CB LYS A 9 -11.796 -1.629 -2.130 1.00 0.00 C ATOM 133 CG LYS A 9 -11.016 -0.329 -2.038 1.00 0.00 C ATOM 134 CD LYS A 9 -11.371 0.615 -3.174 1.00 0.00 C ATOM 135 CE LYS A 9 -10.192 1.499 -3.554 1.00 0.00 C ATOM 136 NZ LYS A 9 -10.229 2.808 -2.845 1.00 0.00 N ATOM 0 H LYS A 9 -13.798 -3.493 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.441 -0.586 -1.220 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.373 -2.347 -1.427 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.670 -2.048 -3.128 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.224 0.154 -1.083 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.947 -0.542 -2.061 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.689 0.038 -4.042 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.215 1.239 -2.880 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -9.261 0.984 -3.317 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.198 1.669 -4.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.409 3.381 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -11.106 3.311 -3.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.198 2.648 -1.818 1.00 0.00 H new ATOM 150 N GLY A 10 -14.706 -2.343 -3.607 1.00 0.00 N ATOM 151 CA GLY A 10 -15.465 -2.272 -4.841 1.00 0.00 C ATOM 152 C GLY A 10 -14.827 -3.069 -5.962 1.00 0.00 C ATOM 153 O GLY A 10 -13.745 -2.726 -6.439 1.00 0.00 O ATOM 0 H GLY A 10 -14.722 -3.253 -3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.475 -2.643 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.558 -1.230 -5.147 1.00 0.00 H new ATOM 157 N CYS A 11 -15.496 -4.137 -6.382 1.00 0.00 N ATOM 158 CA CYS A 11 -14.988 -4.987 -7.452 1.00 0.00 C ATOM 159 C CYS A 11 -16.009 -5.113 -8.578 1.00 0.00 C ATOM 160 O CYS A 11 -16.278 -6.211 -9.067 1.00 0.00 O ATOM 161 CB CYS A 11 -14.638 -6.374 -6.907 1.00 0.00 C ATOM 162 SG CYS A 11 -16.046 -7.255 -6.159 1.00 0.00 S ATOM 0 H CYS A 11 -16.392 -4.435 -5.997 1.00 0.00 H new ATOM 0 HA CYS A 11 -14.087 -4.524 -7.854 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -14.233 -6.980 -7.718 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.850 -6.271 -6.161 1.00 0.00 H new ATOM 167 N VAL A 12 -16.575 -3.982 -8.986 1.00 0.00 N ATOM 168 CA VAL A 12 -17.565 -3.965 -10.056 1.00 0.00 C ATOM 169 C VAL A 12 -16.962 -4.446 -11.371 1.00 0.00 C ATOM 170 O VAL A 12 -17.674 -4.927 -12.252 1.00 0.00 O ATOM 171 CB VAL A 12 -18.149 -2.554 -10.258 1.00 0.00 C ATOM 172 CG1 VAL A 12 -18.956 -2.130 -9.040 1.00 0.00 C ATOM 173 CG2 VAL A 12 -17.039 -1.555 -10.547 1.00 0.00 C ATOM 0 H VAL A 12 -16.365 -3.065 -8.592 1.00 0.00 H new ATOM 0 HA VAL A 12 -18.365 -4.642 -9.757 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.819 -2.577 -11.117 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.360 -1.131 -9.201 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.775 -2.832 -8.884 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.311 -2.123 -8.161 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.469 -0.563 -10.687 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.342 -1.533 -9.709 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.509 -1.852 -11.452 1.00 0.00 H new ATOM 183 N ASN A 13 -15.646 -4.315 -11.495 1.00 0.00 N ATOM 184 CA ASN A 13 -14.946 -4.737 -12.703 1.00 0.00 C ATOM 185 C ASN A 13 -13.581 -5.326 -12.363 1.00 0.00 C ATOM 186 O ASN A 13 -12.706 -5.429 -13.224 1.00 0.00 O ATOM 187 CB ASN A 13 -14.780 -3.555 -13.661 1.00 0.00 C ATOM 188 CG ASN A 13 -16.052 -3.249 -14.428 1.00 0.00 C ATOM 189 OD1 ASN A 13 -16.880 -4.131 -14.655 1.00 0.00 O ATOM 190 ND2 ASN A 13 -16.212 -1.994 -14.832 1.00 0.00 N ATOM 0 H ASN A 13 -15.042 -3.920 -10.774 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.544 -5.508 -13.189 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.478 -2.673 -13.096 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.977 -3.772 -14.366 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -17.048 -1.729 -15.353 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -15.499 -1.296 -14.621 1.00 0.00 H new ATOM 197 N ARG A 14 -13.406 -5.711 -11.104 1.00 0.00 N ATOM 198 CA ARG A 14 -12.147 -6.290 -10.649 1.00 0.00 C ATOM 199 C ARG A 14 -12.396 -7.426 -9.662 1.00 0.00 C ATOM 200 O ARG A 14 -12.129 -7.293 -8.467 1.00 0.00 O ATOM 201 CB ARG A 14 -11.273 -5.216 -9.999 1.00 0.00 C ATOM 202 CG ARG A 14 -11.204 -3.923 -10.794 1.00 0.00 C ATOM 203 CD ARG A 14 -9.823 -3.291 -10.711 1.00 0.00 C ATOM 204 NE ARG A 14 -9.488 -2.546 -11.921 1.00 0.00 N ATOM 205 CZ ARG A 14 -10.094 -1.420 -12.283 1.00 0.00 C ATOM 206 NH1 ARG A 14 -11.060 -0.912 -11.530 1.00 0.00 N ATOM 207 NH2 ARG A 14 -9.733 -0.799 -13.399 1.00 0.00 N ATOM 0 H ARG A 14 -14.120 -5.633 -10.380 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.627 -6.695 -11.517 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.659 -5.000 -9.003 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -10.264 -5.609 -9.872 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -11.452 -4.122 -11.837 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -11.949 -3.223 -10.417 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -9.781 -2.623 -9.851 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -9.078 -4.069 -10.546 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.748 -2.910 -12.522 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -11.339 -1.386 -10.671 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -11.524 -0.048 -11.810 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -8.989 -1.186 -13.980 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -10.199 0.065 -13.675 1.00 0.00 H new ATOM 221 N HIS A 15 -12.909 -8.542 -10.169 1.00 0.00 N ATOM 222 CA HIS A 15 -13.194 -9.702 -9.331 1.00 0.00 C ATOM 223 C HIS A 15 -11.905 -10.411 -8.928 1.00 0.00 C ATOM 224 O HIS A 15 -11.674 -10.678 -7.750 1.00 0.00 O ATOM 225 CB HIS A 15 -14.116 -10.675 -10.067 1.00 0.00 C ATOM 226 CG HIS A 15 -15.502 -10.147 -10.273 1.00 0.00 C ATOM 227 ND1 HIS A 15 -15.765 -8.842 -10.634 1.00 0.00 N ATOM 228 CD2 HIS A 15 -16.706 -10.756 -10.168 1.00 0.00 C ATOM 229 CE1 HIS A 15 -17.070 -8.671 -10.740 1.00 0.00 C ATOM 230 NE2 HIS A 15 -17.665 -9.818 -10.463 1.00 0.00 N ATOM 0 H HIS A 15 -13.136 -8.668 -11.155 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.693 -9.353 -8.427 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.679 -10.914 -11.037 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.171 -11.607 -9.504 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -16.880 -11.788 -9.902 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.567 -7.750 -11.008 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.672 -9.980 -10.468 1.00 0.00 H new ATOM 238 N GLY A 16 -11.067 -10.714 -9.916 1.00 0.00 N ATOM 239 CA GLY A 16 -9.813 -11.390 -9.643 1.00 0.00 C ATOM 240 C GLY A 16 -8.675 -10.421 -9.391 1.00 0.00 C ATOM 241 O GLY A 16 -7.610 -10.532 -9.999 1.00 0.00 O ATOM 0 H GLY A 16 -11.235 -10.503 -10.900 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.934 -12.037 -8.774 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.559 -12.033 -10.486 1.00 0.00 H new ATOM 245 N ASP A 17 -8.900 -9.467 -8.495 1.00 0.00 N ATOM 246 CA ASP A 17 -7.885 -8.473 -8.164 1.00 0.00 C ATOM 247 C ASP A 17 -7.859 -8.202 -6.663 1.00 0.00 C ATOM 248 O ASP A 17 -7.194 -7.274 -6.201 1.00 0.00 O ATOM 249 CB ASP A 17 -8.146 -7.173 -8.926 1.00 0.00 C ATOM 250 CG ASP A 17 -7.776 -7.277 -10.393 1.00 0.00 C ATOM 251 OD1 ASP A 17 -8.502 -7.965 -11.141 1.00 0.00 O ATOM 252 OD2 ASP A 17 -6.761 -6.669 -10.792 1.00 0.00 O ATOM 0 H ASP A 17 -9.777 -9.360 -7.984 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.914 -8.869 -8.460 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.200 -6.909 -8.838 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.576 -6.365 -8.467 1.00 0.00 H new ATOM 257 N CYS A 18 -8.587 -9.016 -5.907 1.00 0.00 N ATOM 258 CA CYS A 18 -8.650 -8.863 -4.459 1.00 0.00 C ATOM 259 C CYS A 18 -7.386 -9.408 -3.799 1.00 0.00 C ATOM 260 O CYS A 18 -6.826 -10.413 -4.240 1.00 0.00 O ATOM 261 CB CYS A 18 -9.880 -9.583 -3.902 1.00 0.00 C ATOM 262 SG CYS A 18 -11.418 -9.241 -4.815 1.00 0.00 S ATOM 0 H CYS A 18 -9.142 -9.789 -6.274 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.727 -7.799 -4.234 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.695 -10.657 -3.913 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.016 -9.293 -2.860 1.00 0.00 H new ATOM 267 N CYS A 19 -6.942 -8.739 -2.741 1.00 0.00 N ATOM 268 CA CYS A 19 -5.745 -9.155 -2.020 1.00 0.00 C ATOM 269 C CYS A 19 -5.824 -10.630 -1.639 1.00 0.00 C ATOM 270 O CYS A 19 -6.894 -11.236 -1.685 1.00 0.00 O ATOM 271 CB CYS A 19 -5.559 -8.302 -0.764 1.00 0.00 C ATOM 272 SG CYS A 19 -5.321 -6.527 -1.099 1.00 0.00 S ATOM 0 H CYS A 19 -7.393 -7.906 -2.363 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.888 -9.014 -2.678 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.431 -8.426 -0.121 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.698 -8.675 -0.209 1.00 0.00 H new ATOM 277 N GLU A 20 -4.684 -11.201 -1.263 1.00 0.00 N ATOM 278 CA GLU A 20 -4.625 -12.605 -0.874 1.00 0.00 C ATOM 279 C GLU A 20 -5.552 -12.883 0.305 1.00 0.00 C ATOM 280 O GLU A 20 -5.418 -12.282 1.370 1.00 0.00 O ATOM 281 CB GLU A 20 -3.190 -12.997 -0.512 1.00 0.00 C ATOM 282 CG GLU A 20 -3.062 -14.416 0.017 1.00 0.00 C ATOM 283 CD GLU A 20 -1.668 -14.724 0.527 1.00 0.00 C ATOM 284 OE1 GLU A 20 -0.907 -13.770 0.790 1.00 0.00 O ATOM 285 OE2 GLU A 20 -1.339 -15.921 0.664 1.00 0.00 O ATOM 0 H GLU A 20 -3.789 -10.713 -1.220 1.00 0.00 H new ATOM 0 HA GLU A 20 -4.955 -13.204 -1.722 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.559 -12.889 -1.394 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.811 -12.303 0.238 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.781 -14.566 0.822 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -3.319 -15.120 -0.775 1.00 0.00 H new ATOM 292 N GLY A 21 -6.495 -13.799 0.106 1.00 0.00 N ATOM 293 CA GLY A 21 -7.432 -14.140 1.160 1.00 0.00 C ATOM 294 C GLY A 21 -8.763 -13.430 1.006 1.00 0.00 C ATOM 295 O GLY A 21 -9.614 -13.490 1.894 1.00 0.00 O ATOM 0 H GLY A 21 -6.627 -14.311 -0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.597 -15.217 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -6.997 -13.883 2.126 1.00 0.00 H new ATOM 299 N LEU A 22 -8.943 -12.755 -0.124 1.00 0.00 N ATOM 300 CA LEU A 22 -10.180 -12.028 -0.391 1.00 0.00 C ATOM 301 C LEU A 22 -10.906 -12.614 -1.598 1.00 0.00 C ATOM 302 O LEU A 22 -10.325 -13.369 -2.377 1.00 0.00 O ATOM 303 CB LEU A 22 -9.882 -10.547 -0.630 1.00 0.00 C ATOM 304 CG LEU A 22 -9.212 -9.802 0.525 1.00 0.00 C ATOM 305 CD1 LEU A 22 -9.100 -8.318 0.209 1.00 0.00 C ATOM 306 CD2 LEU A 22 -9.985 -10.016 1.818 1.00 0.00 C ATOM 0 H LEU A 22 -8.249 -12.696 -0.869 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.826 -12.126 0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.243 -10.463 -1.509 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.819 -10.042 -0.867 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.207 -10.202 0.656 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.621 -7.804 1.042 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.503 -8.182 -0.693 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.096 -7.903 0.051 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.494 -9.478 2.629 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.002 -9.643 1.700 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.014 -11.080 2.053 1.00 0.00 H new ATOM 318 N GLU A 23 -12.178 -12.259 -1.746 1.00 0.00 N ATOM 319 CA GLU A 23 -12.982 -12.749 -2.860 1.00 0.00 C ATOM 320 C GLU A 23 -14.101 -11.767 -3.196 1.00 0.00 C ATOM 321 O GLU A 23 -14.812 -11.290 -2.310 1.00 0.00 O ATOM 322 CB GLU A 23 -13.575 -14.119 -2.525 1.00 0.00 C ATOM 323 CG GLU A 23 -14.262 -14.171 -1.171 1.00 0.00 C ATOM 324 CD GLU A 23 -15.306 -15.267 -1.088 1.00 0.00 C ATOM 325 OE1 GLU A 23 -15.300 -16.161 -1.960 1.00 0.00 O ATOM 326 OE2 GLU A 23 -16.131 -15.231 -0.151 1.00 0.00 O ATOM 0 H GLU A 23 -12.674 -11.635 -1.110 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.332 -12.845 -3.730 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.293 -14.393 -3.298 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.781 -14.865 -2.549 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.514 -14.328 -0.394 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.734 -13.209 -0.970 1.00 0.00 H new ATOM 333 N CYS A 24 -14.252 -11.469 -4.482 1.00 0.00 N ATOM 334 CA CYS A 24 -15.282 -10.544 -4.938 1.00 0.00 C ATOM 335 C CYS A 24 -16.673 -11.140 -4.743 1.00 0.00 C ATOM 336 O CYS A 24 -16.933 -12.277 -5.138 1.00 0.00 O ATOM 337 CB CYS A 24 -15.067 -10.193 -6.412 1.00 0.00 C ATOM 338 SG CYS A 24 -16.279 -9.009 -7.079 1.00 0.00 S ATOM 0 H CYS A 24 -13.673 -11.855 -5.228 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.208 -9.635 -4.341 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -14.066 -9.779 -6.533 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.107 -11.109 -7.002 1.00 0.00 H new ATOM 343 N TRP A 25 -17.562 -10.366 -4.132 1.00 0.00 N ATOM 344 CA TRP A 25 -18.927 -10.817 -3.885 1.00 0.00 C ATOM 345 C TRP A 25 -19.939 -9.797 -4.395 1.00 0.00 C ATOM 346 O TRP A 25 -19.779 -8.593 -4.189 1.00 0.00 O ATOM 347 CB TRP A 25 -19.142 -11.064 -2.391 1.00 0.00 C ATOM 348 CG TRP A 25 -20.534 -11.507 -2.056 1.00 0.00 C ATOM 349 CD1 TRP A 25 -21.527 -10.744 -1.511 1.00 0.00 C ATOM 350 CD2 TRP A 25 -21.086 -12.814 -2.243 1.00 0.00 C ATOM 351 NE1 TRP A 25 -22.664 -11.499 -1.348 1.00 0.00 N ATOM 352 CE2 TRP A 25 -22.419 -12.772 -1.790 1.00 0.00 C ATOM 353 CE3 TRP A 25 -20.585 -14.016 -2.751 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -23.254 -13.886 -1.829 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -21.415 -15.120 -2.789 1.00 0.00 C ATOM 356 CH2 TRP A 25 -22.737 -15.049 -2.332 1.00 0.00 C ATOM 0 H TRP A 25 -17.363 -9.423 -3.798 1.00 0.00 H new ATOM 0 HA TRP A 25 -19.077 -11.751 -4.426 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -18.436 -11.821 -2.050 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -18.918 -10.149 -1.843 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -21.433 -9.701 -1.247 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -23.547 -11.165 -0.961 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -19.568 -14.081 -3.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -24.273 -13.834 -1.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -21.038 -16.054 -3.178 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -23.361 -15.929 -2.377 1.00 0.00 H new ATOM 367 N LYS A 26 -20.980 -10.284 -5.060 1.00 0.00 N ATOM 368 CA LYS A 26 -22.020 -9.414 -5.598 1.00 0.00 C ATOM 369 C LYS A 26 -23.118 -9.176 -4.566 1.00 0.00 C ATOM 370 O LYS A 26 -23.329 -9.994 -3.671 1.00 0.00 O ATOM 371 CB LYS A 26 -22.621 -10.027 -6.865 1.00 0.00 C ATOM 372 CG LYS A 26 -23.398 -11.307 -6.612 1.00 0.00 C ATOM 373 CD LYS A 26 -23.406 -12.206 -7.838 1.00 0.00 C ATOM 374 CE LYS A 26 -24.164 -11.569 -8.992 1.00 0.00 C ATOM 375 NZ LYS A 26 -24.686 -12.588 -9.943 1.00 0.00 N ATOM 0 H LYS A 26 -21.127 -11.277 -5.240 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.565 -8.455 -5.846 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -23.282 -9.297 -7.333 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -21.819 -10.233 -7.574 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -22.957 -11.841 -5.771 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -24.423 -11.062 -6.332 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -22.381 -12.413 -8.145 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.863 -13.163 -7.586 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.993 -10.980 -8.600 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -23.506 -10.881 -9.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.196 -12.113 -10.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -23.893 -13.134 -10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -25.334 -13.230 -9.443 1.00 0.00 H new ATOM 389 N ARG A 27 -23.813 -8.051 -4.698 1.00 0.00 N ATOM 390 CA ARG A 27 -24.889 -7.706 -3.777 1.00 0.00 C ATOM 391 C ARG A 27 -26.112 -7.198 -4.536 1.00 0.00 C ATOM 392 O ARG A 27 -26.042 -6.925 -5.734 1.00 0.00 O ATOM 393 CB ARG A 27 -24.416 -6.645 -2.782 1.00 0.00 C ATOM 394 CG ARG A 27 -23.527 -7.198 -1.680 1.00 0.00 C ATOM 395 CD ARG A 27 -24.321 -8.039 -0.692 1.00 0.00 C ATOM 396 NE ARG A 27 -23.521 -8.419 0.470 1.00 0.00 N ATOM 397 CZ ARG A 27 -23.836 -9.422 1.282 1.00 0.00 C ATOM 398 NH1 ARG A 27 -24.926 -10.142 1.059 1.00 0.00 N ATOM 399 NH2 ARG A 27 -23.058 -9.706 2.318 1.00 0.00 N ATOM 0 H ARG A 27 -23.650 -7.363 -5.433 1.00 0.00 H new ATOM 0 HA ARG A 27 -25.170 -8.607 -3.231 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.872 -5.870 -3.322 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -25.286 -6.168 -2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -22.734 -7.803 -2.120 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -23.044 -6.375 -1.153 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -25.197 -7.480 -0.362 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -24.685 -8.937 -1.191 1.00 0.00 H new ATOM 0 HE ARG A 27 -22.675 -7.885 0.668 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -25.525 -9.927 0.262 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -25.166 -10.912 1.684 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -22.218 -9.154 2.491 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -23.300 -10.476 2.941 1.00 0.00 H new ATOM 413 N ARG A 28 -27.231 -7.074 -3.829 1.00 0.00 N ATOM 414 CA ARG A 28 -28.469 -6.600 -4.436 1.00 0.00 C ATOM 415 C ARG A 28 -28.791 -5.181 -3.977 1.00 0.00 C ATOM 416 O ARG A 28 -29.490 -4.439 -4.667 1.00 0.00 O ATOM 417 CB ARG A 28 -29.626 -7.536 -4.081 1.00 0.00 C ATOM 418 CG ARG A 28 -30.930 -7.185 -4.779 1.00 0.00 C ATOM 419 CD ARG A 28 -32.069 -8.079 -4.315 1.00 0.00 C ATOM 420 NE ARG A 28 -33.341 -7.708 -4.930 1.00 0.00 N ATOM 421 CZ ARG A 28 -34.512 -8.212 -4.557 1.00 0.00 C ATOM 422 NH1 ARG A 28 -34.572 -9.101 -3.575 1.00 0.00 N ATOM 423 NH2 ARG A 28 -35.626 -7.825 -5.165 1.00 0.00 N ATOM 0 H ARG A 28 -27.305 -7.295 -2.836 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.334 -6.592 -5.518 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -29.348 -8.558 -4.341 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.783 -7.513 -3.003 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -31.181 -6.143 -4.581 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -30.805 -7.284 -5.857 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -31.838 -9.116 -4.558 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -32.159 -8.018 -3.230 1.00 0.00 H new ATOM 0 HE ARG A 28 -33.329 -7.025 -5.687 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -33.718 -9.399 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -35.472 -9.487 -3.290 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -35.584 -7.140 -5.920 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -36.525 -8.213 -4.878 1.00 0.00 H new ATOM 437 N ARG A 29 -28.276 -4.811 -2.809 1.00 0.00 N ATOM 438 CA ARG A 29 -28.510 -3.481 -2.258 1.00 0.00 C ATOM 439 C ARG A 29 -27.300 -2.579 -2.483 1.00 0.00 C ATOM 440 O ARG A 29 -27.423 -1.354 -2.510 1.00 0.00 O ATOM 441 CB ARG A 29 -28.821 -3.573 -0.763 1.00 0.00 C ATOM 442 CG ARG A 29 -30.270 -3.917 -0.462 1.00 0.00 C ATOM 443 CD ARG A 29 -31.152 -2.678 -0.480 1.00 0.00 C ATOM 444 NE ARG A 29 -31.114 -1.962 0.793 1.00 0.00 N ATOM 445 CZ ARG A 29 -31.729 -2.384 1.892 1.00 0.00 C ATOM 446 NH1 ARG A 29 -32.425 -3.512 1.875 1.00 0.00 N ATOM 447 NH2 ARG A 29 -31.648 -1.676 3.012 1.00 0.00 N ATOM 0 H ARG A 29 -27.694 -5.413 -2.226 1.00 0.00 H new ATOM 0 HA ARG A 29 -29.366 -3.046 -2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -28.176 -4.327 -0.312 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -28.577 -2.622 -0.291 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -30.635 -4.635 -1.196 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -30.336 -4.398 0.514 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -30.827 -2.013 -1.280 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -32.179 -2.967 -0.703 1.00 0.00 H new ATOM 0 HE ARG A 29 -30.586 -1.090 0.840 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -32.489 -4.059 1.016 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -32.896 -3.833 2.721 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -31.113 -0.808 3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -32.120 -2.000 3.856 1.00 0.00 H new ATOM 461 N SER A 30 -26.132 -3.193 -2.643 1.00 0.00 N ATOM 462 CA SER A 30 -24.899 -2.445 -2.861 1.00 0.00 C ATOM 463 C SER A 30 -24.124 -3.010 -4.048 1.00 0.00 C ATOM 464 O SER A 30 -24.472 -4.059 -4.589 1.00 0.00 O ATOM 465 CB SER A 30 -24.027 -2.481 -1.604 1.00 0.00 C ATOM 466 OG SER A 30 -23.054 -1.452 -1.630 1.00 0.00 O ATOM 0 H SER A 30 -26.014 -4.206 -2.626 1.00 0.00 H new ATOM 0 HA SER A 30 -25.164 -1.411 -3.081 1.00 0.00 H new ATOM 0 HB2 SER A 30 -24.654 -2.371 -0.719 1.00 0.00 H new ATOM 0 HB3 SER A 30 -23.534 -3.450 -1.527 1.00 0.00 H new ATOM 0 HG SER A 30 -22.511 -1.495 -0.816 1.00 0.00 H new ATOM 472 N PHE A 31 -23.071 -2.305 -4.448 1.00 0.00 N ATOM 473 CA PHE A 31 -22.246 -2.734 -5.571 1.00 0.00 C ATOM 474 C PHE A 31 -21.274 -3.830 -5.145 1.00 0.00 C ATOM 475 O PHE A 31 -20.967 -3.975 -3.962 1.00 0.00 O ATOM 476 CB PHE A 31 -21.471 -1.546 -6.145 1.00 0.00 C ATOM 477 CG PHE A 31 -20.721 -0.761 -5.107 1.00 0.00 C ATOM 478 CD1 PHE A 31 -19.488 -1.197 -4.648 1.00 0.00 C ATOM 479 CD2 PHE A 31 -21.248 0.411 -4.590 1.00 0.00 C ATOM 480 CE1 PHE A 31 -18.794 -0.477 -3.693 1.00 0.00 C ATOM 481 CE2 PHE A 31 -20.559 1.135 -3.635 1.00 0.00 C ATOM 482 CZ PHE A 31 -19.331 0.689 -3.185 1.00 0.00 C ATOM 0 H PHE A 31 -22.769 -1.434 -4.011 1.00 0.00 H new ATOM 0 HA PHE A 31 -22.905 -3.136 -6.340 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.767 -1.909 -6.893 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.167 -0.882 -6.658 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -19.064 -2.110 -5.041 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -22.208 0.763 -4.937 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.833 -0.826 -3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -20.980 2.048 -3.241 1.00 0.00 H new ATOM 0 HZ PHE A 31 -18.792 1.252 -2.437 1.00 0.00 H new ATOM 492 N GLU A 32 -20.796 -4.600 -6.117 1.00 0.00 N ATOM 493 CA GLU A 32 -19.861 -5.685 -5.842 1.00 0.00 C ATOM 494 C GLU A 32 -18.618 -5.163 -5.127 1.00 0.00 C ATOM 495 O GLU A 32 -18.075 -4.118 -5.485 1.00 0.00 O ATOM 496 CB GLU A 32 -19.459 -6.383 -7.143 1.00 0.00 C ATOM 497 CG GLU A 32 -20.638 -6.732 -8.036 1.00 0.00 C ATOM 498 CD GLU A 32 -20.485 -8.086 -8.702 1.00 0.00 C ATOM 499 OE1 GLU A 32 -19.949 -9.009 -8.054 1.00 0.00 O ATOM 500 OE2 GLU A 32 -20.901 -8.222 -9.871 1.00 0.00 O ATOM 0 H GLU A 32 -21.040 -4.493 -7.101 1.00 0.00 H new ATOM 0 HA GLU A 32 -20.359 -6.404 -5.191 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.774 -5.739 -7.695 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.914 -7.296 -6.902 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -21.553 -6.724 -7.443 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -20.748 -5.965 -8.802 1.00 0.00 H new ATOM 507 N VAL A 33 -18.173 -5.899 -4.113 1.00 0.00 N ATOM 508 CA VAL A 33 -16.995 -5.512 -3.347 1.00 0.00 C ATOM 509 C VAL A 33 -16.198 -6.736 -2.909 1.00 0.00 C ATOM 510 O VAL A 33 -16.762 -7.802 -2.664 1.00 0.00 O ATOM 511 CB VAL A 33 -17.379 -4.690 -2.102 1.00 0.00 C ATOM 512 CG1 VAL A 33 -17.888 -3.315 -2.506 1.00 0.00 C ATOM 513 CG2 VAL A 33 -18.420 -5.431 -1.276 1.00 0.00 C ATOM 0 H VAL A 33 -18.611 -6.767 -3.803 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.379 -4.897 -4.003 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.489 -4.555 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.154 -2.749 -1.613 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.108 -2.785 -3.053 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.767 -3.425 -3.142 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -18.680 -4.836 -0.400 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -19.312 -5.598 -1.880 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -18.014 -6.391 -0.956 1.00 0.00 H new ATOM 523 N CYS A 34 -14.883 -6.574 -2.811 1.00 0.00 N ATOM 524 CA CYS A 34 -14.007 -7.665 -2.402 1.00 0.00 C ATOM 525 C CYS A 34 -14.209 -8.002 -0.927 1.00 0.00 C ATOM 526 O CYS A 34 -13.722 -7.296 -0.045 1.00 0.00 O ATOM 527 CB CYS A 34 -12.544 -7.295 -2.655 1.00 0.00 C ATOM 528 SG CYS A 34 -12.042 -7.401 -4.403 1.00 0.00 S ATOM 0 H CYS A 34 -14.401 -5.697 -3.009 1.00 0.00 H new ATOM 0 HA CYS A 34 -14.261 -8.543 -2.996 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.370 -6.279 -2.299 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.907 -7.953 -2.064 1.00 0.00 H new ATOM 533 N VAL A 35 -14.932 -9.087 -0.668 1.00 0.00 N ATOM 534 CA VAL A 35 -15.199 -9.519 0.699 1.00 0.00 C ATOM 535 C VAL A 35 -14.174 -10.549 1.159 1.00 0.00 C ATOM 536 O VAL A 35 -13.605 -11.295 0.362 1.00 0.00 O ATOM 537 CB VAL A 35 -16.611 -10.121 0.832 1.00 0.00 C ATOM 538 CG1 VAL A 35 -17.669 -9.078 0.507 1.00 0.00 C ATOM 539 CG2 VAL A 35 -16.757 -11.339 -0.067 1.00 0.00 C ATOM 0 H VAL A 35 -15.343 -9.683 -1.387 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.129 -8.633 1.331 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.756 -10.440 1.864 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.660 -9.522 0.606 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.576 -8.239 1.196 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.530 -8.725 -0.515 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.760 -11.752 0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.593 -11.047 -1.104 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -16.023 -12.092 0.219 1.00 0.00 H new ATOM 549 N PRO A 36 -13.931 -10.595 2.478 1.00 0.00 N ATOM 550 CA PRO A 36 -12.974 -11.531 3.075 1.00 0.00 C ATOM 551 C PRO A 36 -13.462 -12.974 3.016 1.00 0.00 C ATOM 552 O PRO A 36 -14.642 -13.252 3.230 1.00 0.00 O ATOM 553 CB PRO A 36 -12.876 -11.058 4.528 1.00 0.00 C ATOM 554 CG PRO A 36 -14.170 -10.368 4.790 1.00 0.00 C ATOM 555 CD PRO A 36 -14.574 -9.736 3.487 1.00 0.00 C ATOM 0 HA PRO A 36 -12.020 -11.532 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.730 -11.897 5.208 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.032 -10.383 4.668 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -14.926 -11.074 5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.060 -9.616 5.571 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.657 -9.718 3.368 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.228 -8.705 3.416 1.00 0.00 H new ATOM 563 N LYS A 37 -12.546 -13.892 2.724 1.00 0.00 N ATOM 564 CA LYS A 37 -12.881 -15.308 2.639 1.00 0.00 C ATOM 565 C LYS A 37 -13.166 -15.884 4.022 1.00 0.00 C ATOM 566 O LYS A 37 -12.512 -15.528 5.002 1.00 0.00 O ATOM 567 CB LYS A 37 -11.739 -16.084 1.977 1.00 0.00 C ATOM 568 CG LYS A 37 -11.465 -15.659 0.545 1.00 0.00 C ATOM 569 CD LYS A 37 -10.167 -16.253 0.026 1.00 0.00 C ATOM 570 CE LYS A 37 -10.267 -17.763 -0.130 1.00 0.00 C ATOM 571 NZ LYS A 37 -9.020 -18.346 -0.696 1.00 0.00 N ATOM 0 H LYS A 37 -11.565 -13.680 2.542 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.780 -15.407 2.031 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.832 -15.952 2.566 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.977 -17.148 1.992 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.291 -15.973 -0.093 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.416 -14.571 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.918 -15.803 -0.935 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.355 -16.010 0.711 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.471 -18.216 0.840 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -11.108 -18.006 -0.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.128 -19.376 -0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.838 -17.933 -1.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.221 -18.136 -0.064 1.00 0.00 H new