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+ 143:sc= 0.7 (180deg=0.0853) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= -0.146 X(o=-0.15,f=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.863 K(o=-0.86,f=-1.8) 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 -3.558 -4.560 -4.938 1.00 0.00 N ATOM 40 CA CYS A 4 -4.657 -5.478 -4.666 1.00 0.00 C ATOM 41 C CYS A 4 -5.836 -4.743 -4.036 1.00 0.00 C ATOM 42 O CYS A 4 -5.664 -3.699 -3.405 1.00 0.00 O ATOM 43 CB CYS A 4 -4.191 -6.605 -3.742 1.00 0.00 C ATOM 44 SG CYS A 4 -3.847 -6.072 -2.035 1.00 0.00 S ATOM 0 HA CYS A 4 -4.983 -5.906 -5.614 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -4.954 -7.383 -3.722 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -3.290 -7.054 -4.160 1.00 0.00 H new ATOM 49 N ILE A 5 -7.032 -5.295 -4.210 1.00 0.00 N ATOM 50 CA ILE A 5 -8.239 -4.693 -3.657 1.00 0.00 C ATOM 51 C ILE A 5 -8.451 -5.118 -2.208 1.00 0.00 C ATOM 52 O ILE A 5 -8.552 -6.304 -1.891 1.00 0.00 O ATOM 53 CB ILE A 5 -9.485 -5.071 -4.479 1.00 0.00 C ATOM 54 CG1 ILE A 5 -9.240 -4.809 -5.966 1.00 0.00 C ATOM 55 CG2 ILE A 5 -10.698 -4.294 -3.991 1.00 0.00 C ATOM 56 CD1 ILE A 5 -10.452 -5.068 -6.833 1.00 0.00 C ATOM 0 H ILE A 5 -7.191 -6.158 -4.730 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.100 -3.613 -3.700 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.682 -6.135 -4.344 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -8.924 -3.774 -6.097 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.418 -5.439 -6.307 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -11.570 -4.572 -4.582 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -10.881 -4.527 -2.942 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -10.513 -3.225 -4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -10.205 -4.862 -7.874 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -10.756 -6.110 -6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -11.270 -4.419 -6.519 1.00 0.00 H new ATOM 68 N PRO A 6 -8.522 -4.129 -1.305 1.00 0.00 N ATOM 69 CA PRO A 6 -8.726 -4.376 0.126 1.00 0.00 C ATOM 70 C PRO A 6 -10.129 -4.888 0.431 1.00 0.00 C ATOM 71 O PRO A 6 -10.892 -5.220 -0.476 1.00 0.00 O ATOM 72 CB PRO A 6 -8.511 -2.998 0.757 1.00 0.00 C ATOM 73 CG PRO A 6 -8.829 -2.029 -0.328 1.00 0.00 C ATOM 74 CD PRO A 6 -8.410 -2.693 -1.611 1.00 0.00 C ATOM 0 HA PRO A 6 -8.054 -5.145 0.507 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -9.161 -2.853 1.620 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -7.485 -2.878 1.106 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -9.893 -1.792 -0.340 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -8.295 -1.090 -0.182 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -9.056 -2.407 -2.441 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -7.393 -2.420 -1.891 1.00 0.00 H new ATOM 82 N LYS A 7 -10.465 -4.951 1.716 1.00 0.00 N ATOM 83 CA LYS A 7 -11.777 -5.421 2.142 1.00 0.00 C ATOM 84 C LYS A 7 -12.838 -4.348 1.921 1.00 0.00 C ATOM 85 O LYS A 7 -12.774 -3.269 2.510 1.00 0.00 O ATOM 86 CB LYS A 7 -11.743 -5.823 3.618 1.00 0.00 C ATOM 87 CG LYS A 7 -12.921 -6.683 4.042 1.00 0.00 C ATOM 88 CD LYS A 7 -12.883 -6.986 5.531 1.00 0.00 C ATOM 89 CE LYS A 7 -12.981 -5.715 6.361 1.00 0.00 C ATOM 90 NZ LYS A 7 -13.346 -6.003 7.775 1.00 0.00 N ATOM 0 H LYS A 7 -9.845 -4.682 2.480 1.00 0.00 H new ATOM 0 HA LYS A 7 -12.036 -6.292 1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -10.818 -6.365 3.817 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -11.723 -4.922 4.231 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -13.852 -6.172 3.797 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -12.912 -7.617 3.479 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -13.705 -7.654 5.788 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -11.958 -7.510 5.773 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -12.027 -5.188 6.332 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -13.725 -5.051 5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -12.837 -5.351 8.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -14.371 -5.877 7.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -13.086 -6.983 8.008 1.00 0.00 H new ATOM 104 N TRP A 8 -13.812 -4.651 1.071 1.00 0.00 N ATOM 105 CA TRP A 8 -14.888 -3.712 0.774 1.00 0.00 C ATOM 106 C TRP A 8 -14.345 -2.460 0.094 1.00 0.00 C ATOM 107 O TRP A 8 -14.321 -1.381 0.685 1.00 0.00 O ATOM 108 CB TRP A 8 -15.628 -3.330 2.058 1.00 0.00 C ATOM 109 CG TRP A 8 -16.022 -4.512 2.890 1.00 0.00 C ATOM 110 CD1 TRP A 8 -16.390 -5.747 2.437 1.00 0.00 C ATOM 111 CD2 TRP A 8 -16.090 -4.570 4.319 1.00 0.00 C ATOM 112 NE1 TRP A 8 -16.683 -6.569 3.499 1.00 0.00 N ATOM 113 CE2 TRP A 8 -16.505 -5.871 4.664 1.00 0.00 C ATOM 114 CE3 TRP A 8 -15.839 -3.650 5.340 1.00 0.00 C ATOM 115 CZ2 TRP A 8 -16.675 -6.271 5.987 1.00 0.00 C ATOM 116 CZ3 TRP A 8 -16.008 -4.049 6.653 1.00 0.00 C ATOM 117 CH2 TRP A 8 -16.422 -5.350 6.967 1.00 0.00 C ATOM 0 H TRP A 8 -13.879 -5.540 0.575 1.00 0.00 H new ATOM 0 HA TRP A 8 -15.585 -4.200 0.093 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -14.994 -2.672 2.652 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -16.522 -2.763 1.799 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -16.443 -6.035 1.397 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -16.984 -7.541 3.431 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -15.519 -2.645 5.108 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -16.995 -7.273 6.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -15.818 -3.346 7.450 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -16.544 -5.632 8.003 1.00 0.00 H new ATOM 128 N LYS A 9 -13.910 -2.611 -1.153 1.00 0.00 N ATOM 129 CA LYS A 9 -13.369 -1.492 -1.915 1.00 0.00 C ATOM 130 C LYS A 9 -14.103 -1.333 -3.243 1.00 0.00 C ATOM 131 O LYS A 9 -14.070 -0.268 -3.858 1.00 0.00 O ATOM 132 CB LYS A 9 -11.874 -1.696 -2.167 1.00 0.00 C ATOM 133 CG LYS A 9 -11.067 -0.410 -2.118 1.00 0.00 C ATOM 134 CD LYS A 9 -11.375 0.487 -3.306 1.00 0.00 C ATOM 135 CE LYS A 9 -10.152 1.281 -3.736 1.00 0.00 C ATOM 136 NZ LYS A 9 -10.097 1.458 -5.214 1.00 0.00 N ATOM 0 H LYS A 9 -13.922 -3.498 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 9 -13.512 -0.583 -1.330 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -11.481 -2.390 -1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -11.739 -2.163 -3.143 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -11.285 0.123 -1.192 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -10.003 -0.647 -2.106 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.728 -0.120 -4.140 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -12.182 1.172 -3.047 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.165 2.258 -3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -9.250 0.771 -3.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -9.249 2.004 -5.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -10.059 0.526 -5.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.945 1.967 -5.534 1.00 0.00 H new ATOM 150 N GLY A 10 -14.765 -2.400 -3.680 1.00 0.00 N ATOM 151 CA GLY A 10 -15.498 -2.357 -4.931 1.00 0.00 C ATOM 152 C GLY A 10 -14.791 -3.106 -6.043 1.00 0.00 C ATOM 153 O GLY A 10 -13.691 -2.733 -6.452 1.00 0.00 O ATOM 0 H GLY A 10 -14.807 -3.293 -3.190 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -16.490 -2.785 -4.782 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -15.640 -1.318 -5.230 1.00 0.00 H new ATOM 157 N CYS A 11 -15.423 -4.167 -6.535 1.00 0.00 N ATOM 158 CA CYS A 11 -14.847 -4.972 -7.605 1.00 0.00 C ATOM 159 C CYS A 11 -15.862 -5.197 -8.722 1.00 0.00 C ATOM 160 O CYS A 11 -16.003 -6.309 -9.233 1.00 0.00 O ATOM 161 CB CYS A 11 -14.368 -6.318 -7.057 1.00 0.00 C ATOM 162 SG CYS A 11 -15.656 -7.268 -6.188 1.00 0.00 S ATOM 0 H CYS A 11 -16.334 -4.489 -6.209 1.00 0.00 H new ATOM 0 HA CYS A 11 -13.995 -4.431 -8.016 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -13.984 -6.918 -7.882 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -13.536 -6.145 -6.374 1.00 0.00 H new ATOM 167 N VAL A 12 -16.566 -4.134 -9.097 1.00 0.00 N ATOM 168 CA VAL A 12 -17.567 -4.214 -10.155 1.00 0.00 C ATOM 169 C VAL A 12 -16.934 -4.619 -11.481 1.00 0.00 C ATOM 170 O VAL A 12 -17.624 -5.047 -12.405 1.00 0.00 O ATOM 171 CB VAL A 12 -18.300 -2.872 -10.337 1.00 0.00 C ATOM 172 CG1 VAL A 12 -19.246 -2.618 -9.174 1.00 0.00 C ATOM 173 CG2 VAL A 12 -17.300 -1.735 -10.479 1.00 0.00 C ATOM 0 H VAL A 12 -16.462 -3.207 -8.684 1.00 0.00 H new ATOM 0 HA VAL A 12 -18.287 -4.974 -9.852 1.00 0.00 H new ATOM 0 HB VAL A 12 -18.892 -2.922 -11.251 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -19.755 -1.665 -9.320 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -19.983 -3.419 -9.123 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -18.679 -2.587 -8.244 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -17.835 -0.794 -10.607 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -16.680 -1.682 -9.584 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -16.667 -1.914 -11.348 1.00 0.00 H new ATOM 183 N ASN A 13 -15.614 -4.482 -11.567 1.00 0.00 N ATOM 184 CA ASN A 13 -14.887 -4.833 -12.781 1.00 0.00 C ATOM 185 C ASN A 13 -13.668 -5.692 -12.455 1.00 0.00 C ATOM 186 O ASN A 13 -13.363 -6.650 -13.166 1.00 0.00 O ATOM 187 CB ASN A 13 -14.450 -3.569 -13.523 1.00 0.00 C ATOM 188 CG ASN A 13 -15.502 -3.078 -14.499 1.00 0.00 C ATOM 189 OD1 ASN A 13 -15.690 -3.657 -15.569 1.00 0.00 O ATOM 190 ND2 ASN A 13 -16.194 -2.006 -14.132 1.00 0.00 N ATOM 0 H ASN A 13 -15.027 -4.131 -10.810 1.00 0.00 H new ATOM 0 HA ASN A 13 -15.555 -5.409 -13.421 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -14.234 -2.783 -12.800 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -13.524 -3.769 -14.062 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -16.916 -1.630 -14.747 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -16.004 -1.559 -13.235 1.00 0.00 H new ATOM 197 N ARG A 14 -12.976 -5.342 -11.376 1.00 0.00 N ATOM 198 CA ARG A 14 -11.790 -6.080 -10.957 1.00 0.00 C ATOM 199 C ARG A 14 -12.150 -7.148 -9.928 1.00 0.00 C ATOM 200 O ARG A 14 -11.907 -6.981 -8.733 1.00 0.00 O ATOM 201 CB ARG A 14 -10.749 -5.124 -10.372 1.00 0.00 C ATOM 202 CG ARG A 14 -10.106 -4.216 -11.407 1.00 0.00 C ATOM 203 CD ARG A 14 -8.597 -4.147 -11.228 1.00 0.00 C ATOM 204 NE ARG A 14 -8.031 -2.937 -11.818 1.00 0.00 N ATOM 205 CZ ARG A 14 -6.783 -2.532 -11.608 1.00 0.00 C ATOM 206 NH1 ARG A 14 -5.976 -3.237 -10.827 1.00 0.00 N ATOM 207 NH2 ARG A 14 -6.340 -1.421 -12.181 1.00 0.00 N ATOM 0 H ARG A 14 -13.216 -4.553 -10.776 1.00 0.00 H new ATOM 0 HA ARG A 14 -11.370 -6.572 -11.834 1.00 0.00 H new ATOM 0 HB2 ARG A 14 -11.222 -4.510 -9.606 1.00 0.00 H new ATOM 0 HB3 ARG A 14 -9.971 -5.706 -9.878 1.00 0.00 H new ATOM 0 HG2 ARG A 14 -10.338 -4.581 -12.407 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -10.529 -3.215 -11.327 1.00 0.00 H new ATOM 0 HD2 ARG A 14 -8.356 -4.179 -10.165 1.00 0.00 H new ATOM 0 HD3 ARG A 14 -8.137 -5.023 -11.686 1.00 0.00 H new ATOM 0 HE ARG A 14 -8.626 -2.372 -12.424 1.00 0.00 H new ATOM 0 HH11 ARG A 14 -6.313 -4.093 -10.386 1.00 0.00 H new ATOM 0 HH12 ARG A 14 -5.018 -2.924 -10.668 1.00 0.00 H new ATOM 0 HH21 ARG A 14 -6.957 -0.877 -12.783 1.00 0.00 H new ATOM 0 HH22 ARG A 14 -5.382 -1.111 -12.019 1.00 0.00 H new ATOM 221 N HIS A 15 -12.731 -8.246 -10.402 1.00 0.00 N ATOM 222 CA HIS A 15 -13.125 -9.342 -9.524 1.00 0.00 C ATOM 223 C HIS A 15 -11.904 -10.123 -9.049 1.00 0.00 C ATOM 224 O HIS A 15 -11.727 -10.351 -7.853 1.00 0.00 O ATOM 225 CB HIS A 15 -14.095 -10.278 -10.245 1.00 0.00 C ATOM 226 CG HIS A 15 -15.399 -9.632 -10.600 1.00 0.00 C ATOM 227 ND1 HIS A 15 -15.485 -8.439 -11.286 1.00 0.00 N ATOM 228 CD2 HIS A 15 -16.673 -10.020 -10.362 1.00 0.00 C ATOM 229 CE1 HIS A 15 -16.756 -8.121 -11.453 1.00 0.00 C ATOM 230 NE2 HIS A 15 -17.498 -9.064 -10.902 1.00 0.00 N ATOM 0 H HIS A 15 -12.939 -8.400 -11.389 1.00 0.00 H new ATOM 0 HA HIS A 15 -13.623 -8.916 -8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -13.622 -10.647 -11.155 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -14.289 -11.144 -9.613 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -16.984 -10.915 -9.844 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -17.126 -7.239 -11.955 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -18.518 -9.080 -10.881 1.00 0.00 H new ATOM 238 N GLY A 16 -11.064 -10.532 -9.995 1.00 0.00 N ATOM 239 CA GLY A 16 -9.870 -11.284 -9.653 1.00 0.00 C ATOM 240 C GLY A 16 -8.682 -10.387 -9.368 1.00 0.00 C ATOM 241 O GLY A 16 -7.623 -10.535 -9.978 1.00 0.00 O ATOM 0 H GLY A 16 -11.189 -10.356 -10.992 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -10.072 -11.903 -8.779 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.623 -11.960 -10.472 1.00 0.00 H new ATOM 245 N ASP A 17 -8.857 -9.453 -8.440 1.00 0.00 N ATOM 246 CA ASP A 17 -7.790 -8.528 -8.075 1.00 0.00 C ATOM 247 C ASP A 17 -7.801 -8.249 -6.575 1.00 0.00 C ATOM 248 O ASP A 17 -7.143 -7.323 -6.100 1.00 0.00 O ATOM 249 CB ASP A 17 -7.935 -7.218 -8.851 1.00 0.00 C ATOM 250 CG ASP A 17 -8.221 -7.445 -10.322 1.00 0.00 C ATOM 251 OD1 ASP A 17 -9.342 -7.887 -10.647 1.00 0.00 O ATOM 252 OD2 ASP A 17 -7.322 -7.180 -11.149 1.00 0.00 O ATOM 0 H ASP A 17 -9.728 -9.316 -7.927 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.837 -8.991 -8.333 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -8.740 -6.628 -8.414 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.020 -6.635 -8.748 1.00 0.00 H new ATOM 257 N CYS A 18 -8.554 -9.056 -5.835 1.00 0.00 N ATOM 258 CA CYS A 18 -8.653 -8.896 -4.389 1.00 0.00 C ATOM 259 C CYS A 18 -7.406 -9.437 -3.695 1.00 0.00 C ATOM 260 O CYS A 18 -6.853 -10.462 -4.096 1.00 0.00 O ATOM 261 CB CYS A 18 -9.896 -9.614 -3.859 1.00 0.00 C ATOM 262 SG CYS A 18 -11.404 -9.307 -4.834 1.00 0.00 S ATOM 0 H CYS A 18 -9.104 -9.827 -6.213 1.00 0.00 H new ATOM 0 HA CYS A 18 -8.736 -7.831 -4.172 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -9.702 -10.686 -3.838 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -10.072 -9.302 -2.830 1.00 0.00 H new ATOM 267 N CYS A 19 -6.967 -8.740 -2.652 1.00 0.00 N ATOM 268 CA CYS A 19 -5.785 -9.149 -1.902 1.00 0.00 C ATOM 269 C CYS A 19 -5.896 -10.606 -1.463 1.00 0.00 C ATOM 270 O CYS A 19 -6.990 -11.166 -1.407 1.00 0.00 O ATOM 271 CB CYS A 19 -5.597 -8.250 -0.678 1.00 0.00 C ATOM 272 SG CYS A 19 -5.545 -6.470 -1.064 1.00 0.00 S ATOM 0 H CYS A 19 -7.412 -7.889 -2.307 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.918 -9.050 -2.556 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.410 -8.435 0.024 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.671 -8.529 -0.174 1.00 0.00 H new ATOM 277 N GLU A 20 -4.755 -11.214 -1.154 1.00 0.00 N ATOM 278 CA GLU A 20 -4.724 -12.606 -0.722 1.00 0.00 C ATOM 279 C GLU A 20 -5.699 -12.840 0.429 1.00 0.00 C ATOM 280 O GLU A 20 -5.670 -12.132 1.435 1.00 0.00 O ATOM 281 CB GLU A 20 -3.309 -12.999 -0.293 1.00 0.00 C ATOM 282 CG GLU A 20 -3.230 -14.366 0.366 1.00 0.00 C ATOM 283 CD GLU A 20 -1.892 -15.044 0.144 1.00 0.00 C ATOM 284 OE1 GLU A 20 -0.880 -14.551 0.686 1.00 0.00 O ATOM 285 OE2 GLU A 20 -1.855 -16.066 -0.572 1.00 0.00 O ATOM 0 H GLU A 20 -3.840 -10.764 -1.195 1.00 0.00 H new ATOM 0 HA GLU A 20 -5.026 -13.228 -1.565 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -2.657 -12.988 -1.167 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -2.927 -12.249 0.399 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.406 -14.260 1.436 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.024 -15.001 -0.026 1.00 0.00 H new ATOM 292 N GLY A 21 -6.562 -13.839 0.272 1.00 0.00 N ATOM 293 CA GLY A 21 -7.534 -14.148 1.304 1.00 0.00 C ATOM 294 C GLY A 21 -8.852 -13.429 1.094 1.00 0.00 C ATOM 295 O GLY A 21 -9.729 -13.458 1.959 1.00 0.00 O ATOM 0 H GLY A 21 -6.605 -14.440 -0.551 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -7.710 -15.224 1.323 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -7.126 -13.875 2.277 1.00 0.00 H new ATOM 299 N LEU A 22 -8.993 -12.780 -0.057 1.00 0.00 N ATOM 300 CA LEU A 22 -10.213 -12.048 -0.377 1.00 0.00 C ATOM 301 C LEU A 22 -10.897 -12.640 -1.605 1.00 0.00 C ATOM 302 O LEU A 22 -10.285 -13.388 -2.367 1.00 0.00 O ATOM 303 CB LEU A 22 -9.897 -10.571 -0.619 1.00 0.00 C ATOM 304 CG LEU A 22 -9.190 -9.840 0.523 1.00 0.00 C ATOM 305 CD1 LEU A 22 -9.033 -8.363 0.196 1.00 0.00 C ATOM 306 CD2 LEU A 22 -9.954 -10.022 1.826 1.00 0.00 C ATOM 0 H LEU A 22 -8.278 -12.746 -0.783 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.892 -12.134 0.472 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -9.277 -10.494 -1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -10.830 -10.051 -0.834 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.196 -10.271 0.645 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -8.528 -7.860 1.020 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.442 -8.252 -0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.016 -7.917 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -9.437 -9.495 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -10.961 -9.618 1.717 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -10.013 -11.083 2.068 1.00 0.00 H new ATOM 318 N GLU A 23 -12.168 -12.299 -1.791 1.00 0.00 N ATOM 319 CA GLU A 23 -12.934 -12.796 -2.928 1.00 0.00 C ATOM 320 C GLU A 23 -14.049 -11.823 -3.302 1.00 0.00 C ATOM 321 O GLU A 23 -14.791 -11.352 -2.440 1.00 0.00 O ATOM 322 CB GLU A 23 -13.527 -14.171 -2.610 1.00 0.00 C ATOM 323 CG GLU A 23 -14.208 -14.240 -1.253 1.00 0.00 C ATOM 324 CD GLU A 23 -15.325 -15.265 -1.213 1.00 0.00 C ATOM 325 OE1 GLU A 23 -15.988 -15.462 -2.253 1.00 0.00 O ATOM 326 OE2 GLU A 23 -15.536 -15.869 -0.141 1.00 0.00 O ATOM 0 H GLU A 23 -12.689 -11.681 -1.169 1.00 0.00 H new ATOM 0 HA GLU A 23 -12.256 -12.888 -3.777 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -14.249 -14.434 -3.383 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -12.733 -14.917 -2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -13.468 -14.485 -0.491 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -14.611 -13.259 -1.002 1.00 0.00 H new ATOM 333 N CYS A 24 -14.159 -11.527 -4.592 1.00 0.00 N ATOM 334 CA CYS A 24 -15.181 -10.609 -5.081 1.00 0.00 C ATOM 335 C CYS A 24 -16.574 -11.214 -4.926 1.00 0.00 C ATOM 336 O CYS A 24 -16.809 -12.362 -5.304 1.00 0.00 O ATOM 337 CB CYS A 24 -14.924 -10.263 -6.549 1.00 0.00 C ATOM 338 SG CYS A 24 -16.007 -8.952 -7.204 1.00 0.00 S ATOM 0 H CYS A 24 -13.553 -11.909 -5.318 1.00 0.00 H new ATOM 0 HA CYS A 24 -15.131 -9.698 -4.485 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -13.885 -9.952 -6.661 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -15.054 -11.162 -7.151 1.00 0.00 H new ATOM 343 N TRP A 25 -17.492 -10.433 -4.369 1.00 0.00 N ATOM 344 CA TRP A 25 -18.862 -10.891 -4.164 1.00 0.00 C ATOM 345 C TRP A 25 -19.863 -9.831 -4.610 1.00 0.00 C ATOM 346 O TRP A 25 -19.644 -8.635 -4.416 1.00 0.00 O ATOM 347 CB TRP A 25 -19.090 -11.238 -2.692 1.00 0.00 C ATOM 348 CG TRP A 25 -20.361 -11.996 -2.451 1.00 0.00 C ATOM 349 CD1 TRP A 25 -21.573 -11.474 -2.101 1.00 0.00 C ATOM 350 CD2 TRP A 25 -20.543 -13.413 -2.540 1.00 0.00 C ATOM 351 NE1 TRP A 25 -22.498 -12.481 -1.967 1.00 0.00 N ATOM 352 CE2 TRP A 25 -21.892 -13.680 -2.232 1.00 0.00 C ATOM 353 CE3 TRP A 25 -19.699 -14.483 -2.851 1.00 0.00 C ATOM 354 CZ2 TRP A 25 -22.412 -14.971 -2.226 1.00 0.00 C ATOM 355 CZ3 TRP A 25 -20.217 -15.764 -2.845 1.00 0.00 C ATOM 356 CH2 TRP A 25 -21.563 -16.000 -2.535 1.00 0.00 C ATOM 0 H TRP A 25 -17.313 -9.480 -4.051 1.00 0.00 H new ATOM 0 HA TRP A 25 -19.014 -11.785 -4.769 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -18.249 -11.829 -2.331 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -19.107 -10.318 -2.108 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -21.775 -10.424 -1.951 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -23.478 -12.356 -1.711 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -18.660 -14.311 -3.092 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -23.449 -15.155 -1.986 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -19.573 -16.598 -3.083 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -21.938 -17.013 -2.540 1.00 0.00 H new ATOM 367 N LYS A 26 -20.962 -10.277 -5.210 1.00 0.00 N ATOM 368 CA LYS A 26 -21.998 -9.367 -5.683 1.00 0.00 C ATOM 369 C LYS A 26 -23.122 -9.243 -4.659 1.00 0.00 C ATOM 370 O LYS A 26 -23.446 -10.203 -3.960 1.00 0.00 O ATOM 371 CB LYS A 26 -22.563 -9.855 -7.019 1.00 0.00 C ATOM 372 CG LYS A 26 -23.812 -9.112 -7.459 1.00 0.00 C ATOM 373 CD LYS A 26 -24.009 -9.194 -8.963 1.00 0.00 C ATOM 374 CE LYS A 26 -24.801 -10.432 -9.355 1.00 0.00 C ATOM 375 NZ LYS A 26 -24.995 -10.523 -10.829 1.00 0.00 N ATOM 0 H LYS A 26 -21.158 -11.263 -5.380 1.00 0.00 H new ATOM 0 HA LYS A 26 -21.547 -8.384 -5.823 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -21.798 -9.749 -7.788 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -22.791 -10.918 -6.941 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -24.682 -9.531 -6.954 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -23.740 -8.067 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -24.530 -8.302 -9.312 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -23.038 -9.210 -9.458 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -24.281 -11.323 -9.001 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -25.773 -10.413 -8.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -25.539 -11.380 -11.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -25.513 -9.686 -11.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -24.068 -10.567 -11.299 1.00 0.00 H new ATOM 389 N ARG A 27 -23.713 -8.055 -4.577 1.00 0.00 N ATOM 390 CA ARG A 27 -24.801 -7.807 -3.639 1.00 0.00 C ATOM 391 C ARG A 27 -26.025 -7.249 -4.360 1.00 0.00 C ATOM 392 O ARG A 27 -26.008 -7.061 -5.577 1.00 0.00 O ATOM 393 CB ARG A 27 -24.350 -6.832 -2.549 1.00 0.00 C ATOM 394 CG ARG A 27 -23.596 -7.499 -1.410 1.00 0.00 C ATOM 395 CD ARG A 27 -24.548 -8.082 -0.377 1.00 0.00 C ATOM 396 NE ARG A 27 -25.099 -9.365 -0.803 1.00 0.00 N ATOM 397 CZ ARG A 27 -26.209 -9.892 -0.299 1.00 0.00 C ATOM 398 NH1 ARG A 27 -26.883 -9.249 0.645 1.00 0.00 N ATOM 399 NH2 ARG A 27 -26.647 -11.065 -0.738 1.00 0.00 N ATOM 0 H ARG A 27 -23.457 -7.250 -5.148 1.00 0.00 H new ATOM 0 HA ARG A 27 -25.074 -8.757 -3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -23.714 -6.068 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -25.224 -6.322 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -22.960 -8.290 -1.807 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -22.940 -6.772 -0.932 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -24.022 -8.210 0.569 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -25.362 -7.380 -0.197 1.00 0.00 H new ATOM 0 HE ARG A 27 -24.604 -9.885 -1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -26.549 -8.347 0.986 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -27.735 -9.656 1.030 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -26.131 -11.563 -1.463 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -27.500 -11.469 -0.350 1.00 0.00 H new ATOM 413 N ARG A 28 -27.084 -6.986 -3.602 1.00 0.00 N ATOM 414 CA ARG A 28 -28.316 -6.452 -4.169 1.00 0.00 C ATOM 415 C ARG A 28 -28.546 -5.014 -3.712 1.00 0.00 C ATOM 416 O ARG A 28 -29.048 -4.184 -4.470 1.00 0.00 O ATOM 417 CB ARG A 28 -29.508 -7.323 -3.767 1.00 0.00 C ATOM 418 CG ARG A 28 -30.851 -6.746 -4.182 1.00 0.00 C ATOM 419 CD ARG A 28 -30.929 -6.541 -5.687 1.00 0.00 C ATOM 420 NE ARG A 28 -32.174 -5.892 -6.087 1.00 0.00 N ATOM 421 CZ ARG A 28 -32.354 -5.312 -7.268 1.00 0.00 C ATOM 422 NH1 ARG A 28 -31.373 -5.299 -8.160 1.00 0.00 N ATOM 423 NH2 ARG A 28 -33.516 -4.742 -7.559 1.00 0.00 N ATOM 0 H ARG A 28 -27.114 -7.134 -2.593 1.00 0.00 H new ATOM 0 HA ARG A 28 -28.220 -6.459 -5.255 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -29.393 -8.311 -4.214 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -29.499 -7.459 -2.686 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -31.650 -7.415 -3.863 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -31.011 -5.794 -3.675 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -30.083 -5.936 -6.015 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -30.845 -7.505 -6.189 1.00 0.00 H new ATOM 0 HE ARG A 28 -32.948 -5.884 -5.423 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -30.478 -5.735 -7.940 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -31.514 -4.853 -9.066 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -34.273 -4.749 -6.875 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -33.653 -4.297 -8.467 1.00 0.00 H new ATOM 437 N ARG A 29 -28.176 -4.728 -2.467 1.00 0.00 N ATOM 438 CA ARG A 29 -28.344 -3.392 -1.909 1.00 0.00 C ATOM 439 C ARG A 29 -27.181 -2.487 -2.305 1.00 0.00 C ATOM 440 O ARG A 29 -27.375 -1.313 -2.621 1.00 0.00 O ATOM 441 CB ARG A 29 -28.452 -3.463 -0.384 1.00 0.00 C ATOM 442 CG ARG A 29 -29.307 -2.360 0.218 1.00 0.00 C ATOM 443 CD ARG A 29 -30.790 -2.673 0.093 1.00 0.00 C ATOM 444 NE ARG A 29 -31.255 -3.553 1.162 1.00 0.00 N ATOM 445 CZ ARG A 29 -32.534 -3.697 1.491 1.00 0.00 C ATOM 446 NH1 ARG A 29 -33.470 -3.023 0.837 1.00 0.00 N ATOM 447 NH2 ARG A 29 -32.879 -4.516 2.476 1.00 0.00 N ATOM 0 H ARG A 29 -27.758 -5.403 -1.827 1.00 0.00 H new ATOM 0 HA ARG A 29 -29.264 -2.970 -2.313 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -28.870 -4.430 -0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -27.452 -3.411 0.045 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -29.049 -2.231 1.269 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -29.090 -1.416 -0.282 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -31.360 -1.744 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -30.982 -3.142 -0.872 1.00 0.00 H new ATOM 0 HE ARG A 29 -30.560 -4.086 1.684 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -33.209 -2.392 0.079 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -34.451 -3.135 1.092 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -32.162 -5.036 2.982 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -33.861 -4.626 2.728 1.00 0.00 H new ATOM 461 N SER A 30 -25.973 -3.041 -2.285 1.00 0.00 N ATOM 462 CA SER A 30 -24.779 -2.283 -2.638 1.00 0.00 C ATOM 463 C SER A 30 -24.135 -2.842 -3.904 1.00 0.00 C ATOM 464 O SER A 30 -24.695 -3.717 -4.565 1.00 0.00 O ATOM 465 CB SER A 30 -23.773 -2.310 -1.486 1.00 0.00 C ATOM 466 OG SER A 30 -23.357 -3.635 -1.203 1.00 0.00 O ATOM 0 H SER A 30 -25.796 -4.012 -2.028 1.00 0.00 H new ATOM 0 HA SER A 30 -25.076 -1.252 -2.827 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.906 -1.700 -1.741 1.00 0.00 H new ATOM 0 HB3 SER A 30 -24.222 -1.869 -0.596 1.00 0.00 H new ATOM 0 HG SER A 30 -22.713 -3.625 -0.464 1.00 0.00 H new ATOM 472 N PHE A 31 -22.954 -2.331 -4.234 1.00 0.00 N ATOM 473 CA PHE A 31 -22.232 -2.777 -5.421 1.00 0.00 C ATOM 474 C PHE A 31 -21.254 -3.896 -5.074 1.00 0.00 C ATOM 475 O PHE A 31 -20.895 -4.081 -3.911 1.00 0.00 O ATOM 476 CB PHE A 31 -21.481 -1.606 -6.057 1.00 0.00 C ATOM 477 CG PHE A 31 -20.614 -0.853 -5.089 1.00 0.00 C ATOM 478 CD1 PHE A 31 -19.326 -1.283 -4.813 1.00 0.00 C ATOM 479 CD2 PHE A 31 -21.087 0.283 -4.454 1.00 0.00 C ATOM 480 CE1 PHE A 31 -18.525 -0.592 -3.923 1.00 0.00 C ATOM 481 CE2 PHE A 31 -20.291 0.979 -3.563 1.00 0.00 C ATOM 482 CZ PHE A 31 -19.009 0.540 -3.296 1.00 0.00 C ATOM 0 H PHE A 31 -22.476 -1.608 -3.697 1.00 0.00 H new ATOM 0 HA PHE A 31 -22.960 -3.163 -6.135 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -20.861 -1.982 -6.871 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -22.203 -0.918 -6.497 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -18.943 -2.168 -5.299 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -22.090 0.630 -4.657 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -17.522 -0.937 -3.718 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -20.671 1.865 -3.076 1.00 0.00 H new ATOM 0 HZ PHE A 31 -18.386 1.080 -2.599 1.00 0.00 H new ATOM 492 N GLU A 32 -20.830 -4.639 -6.091 1.00 0.00 N ATOM 493 CA GLU A 32 -19.894 -5.740 -5.893 1.00 0.00 C ATOM 494 C GLU A 32 -18.617 -5.254 -5.214 1.00 0.00 C ATOM 495 O GLU A 32 -18.012 -4.269 -5.637 1.00 0.00 O ATOM 496 CB GLU A 32 -19.555 -6.397 -7.232 1.00 0.00 C ATOM 497 CG GLU A 32 -20.777 -6.795 -8.042 1.00 0.00 C ATOM 498 CD GLU A 32 -20.493 -7.926 -9.011 1.00 0.00 C ATOM 499 OE1 GLU A 32 -19.609 -8.756 -8.710 1.00 0.00 O ATOM 500 OE2 GLU A 32 -21.152 -7.981 -10.070 1.00 0.00 O ATOM 0 H GLU A 32 -21.119 -4.499 -7.059 1.00 0.00 H new ATOM 0 HA GLU A 32 -20.371 -6.476 -5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -18.948 -5.710 -7.821 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -18.947 -7.283 -7.049 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -21.576 -7.095 -7.364 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -21.138 -5.929 -8.596 1.00 0.00 H new ATOM 507 N VAL A 33 -18.213 -5.952 -4.158 1.00 0.00 N ATOM 508 CA VAL A 33 -17.008 -5.593 -3.420 1.00 0.00 C ATOM 509 C VAL A 33 -16.237 -6.836 -2.988 1.00 0.00 C ATOM 510 O VAL A 33 -16.812 -7.912 -2.828 1.00 0.00 O ATOM 511 CB VAL A 33 -17.343 -4.752 -2.174 1.00 0.00 C ATOM 512 CG1 VAL A 33 -17.989 -3.435 -2.576 1.00 0.00 C ATOM 513 CG2 VAL A 33 -18.246 -5.533 -1.231 1.00 0.00 C ATOM 0 H VAL A 33 -18.703 -6.770 -3.794 1.00 0.00 H new ATOM 0 HA VAL A 33 -16.389 -5.001 -4.094 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.415 -4.528 -1.648 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -18.218 -2.855 -1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -17.303 -2.871 -3.209 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -18.909 -3.634 -3.126 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -18.472 -4.924 -0.356 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -19.173 -5.790 -1.744 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -17.741 -6.446 -0.916 1.00 0.00 H new ATOM 523 N CYS A 34 -14.930 -6.679 -2.802 1.00 0.00 N ATOM 524 CA CYS A 34 -14.078 -7.788 -2.389 1.00 0.00 C ATOM 525 C CYS A 34 -14.291 -8.118 -0.914 1.00 0.00 C ATOM 526 O CYS A 34 -13.794 -7.417 -0.032 1.00 0.00 O ATOM 527 CB CYS A 34 -12.608 -7.449 -2.640 1.00 0.00 C ATOM 528 SG CYS A 34 -12.121 -7.504 -4.394 1.00 0.00 S ATOM 0 H CYS A 34 -14.438 -5.795 -2.931 1.00 0.00 H new ATOM 0 HA CYS A 34 -14.349 -8.662 -2.981 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -12.404 -6.452 -2.249 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -11.985 -8.145 -2.079 1.00 0.00 H new ATOM 533 N VAL A 35 -15.034 -9.189 -0.654 1.00 0.00 N ATOM 534 CA VAL A 35 -15.312 -9.613 0.713 1.00 0.00 C ATOM 535 C VAL A 35 -14.231 -10.558 1.226 1.00 0.00 C ATOM 536 O VAL A 35 -13.564 -11.253 0.459 1.00 0.00 O ATOM 537 CB VAL A 35 -16.681 -10.312 0.816 1.00 0.00 C ATOM 538 CG1 VAL A 35 -17.807 -9.321 0.567 1.00 0.00 C ATOM 539 CG2 VAL A 35 -16.759 -11.477 -0.159 1.00 0.00 C ATOM 0 H VAL A 35 -15.454 -9.779 -1.372 1.00 0.00 H new ATOM 0 HA VAL A 35 -15.325 -8.713 1.327 1.00 0.00 H new ATOM 0 HB VAL A 35 -16.793 -10.706 1.826 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -18.766 -9.833 0.644 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -17.761 -8.524 1.309 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -17.702 -8.895 -0.431 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -17.733 -11.959 -0.073 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -16.625 -11.110 -1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -15.975 -12.198 0.072 1.00 0.00 H new ATOM 549 N PRO A 36 -14.052 -10.586 2.555 1.00 0.00 N ATOM 550 CA PRO A 36 -13.053 -11.443 3.201 1.00 0.00 C ATOM 551 C PRO A 36 -13.419 -12.921 3.120 1.00 0.00 C ATOM 552 O PRO A 36 -14.562 -13.304 3.371 1.00 0.00 O ATOM 553 CB PRO A 36 -13.066 -10.968 4.656 1.00 0.00 C ATOM 554 CG PRO A 36 -14.423 -10.385 4.852 1.00 0.00 C ATOM 555 CD PRO A 36 -14.811 -9.784 3.529 1.00 0.00 C ATOM 0 HA PRO A 36 -12.077 -11.365 2.722 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.887 -11.794 5.344 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -12.287 -10.228 4.838 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -15.136 -11.151 5.157 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -14.413 -9.628 5.636 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -15.885 -9.852 3.356 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.546 -8.728 3.474 1.00 0.00 H new ATOM 563 N LYS A 37 -12.440 -13.750 2.770 1.00 0.00 N ATOM 564 CA LYS A 37 -12.658 -15.187 2.658 1.00 0.00 C ATOM 565 C LYS A 37 -12.941 -15.803 4.024 1.00 0.00 C ATOM 566 O LYS A 37 -12.335 -15.422 5.026 1.00 0.00 O ATOM 567 CB LYS A 37 -11.437 -15.860 2.026 1.00 0.00 C ATOM 568 CG LYS A 37 -11.249 -15.524 0.557 1.00 0.00 C ATOM 569 CD LYS A 37 -10.002 -16.182 -0.010 1.00 0.00 C ATOM 570 CE LYS A 37 -10.319 -17.535 -0.630 1.00 0.00 C ATOM 571 NZ LYS A 37 -9.088 -18.337 -0.870 1.00 0.00 N ATOM 0 H LYS A 37 -11.488 -13.450 2.559 1.00 0.00 H new ATOM 0 HA LYS A 37 -13.527 -15.349 2.020 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -10.544 -15.562 2.575 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.532 -16.941 2.134 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -12.123 -15.851 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.178 -14.443 0.436 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.556 -15.531 -0.762 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.263 -16.307 0.782 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -10.990 -18.088 0.028 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -10.846 -17.388 -1.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -9.346 -19.251 -1.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.459 -17.821 -1.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -8.598 -18.499 0.033 1.00 0.00 H new