USER MOD reduce.3.24.130724 H: found=0, std=0, add=266, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 265 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 1 ASN : amide:sc= -0.132 X(o=-0.13,f=-0.26) USER MOD Single : A 1 ASN N :NH3+ -124:sc= -3.97! (180deg=-9.58!) USER MOD Single : A 5 SER OG : rot -177:sc= -1.83! USER MOD Single : A 9 ASN : amide:sc= -2.09! C(o=-2.1!,f=-3.7!) USER MOD Single : A 14 GLN : amide:sc= -0.0947 K(o=-0.095,f=-1.4) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 22 HIS : no HD1:sc= -0.0995 X(o=-0.1,f=0) USER MOD Single : A 23 LYS NZ :NH3+ -135:sc= -0.0884 (180deg=-0.689) USER MOD Single : A 26 THR OG1 : rot 36:sc= 1.11 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.361) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 15.403 -6.711 -6.978 1.00 0.00 N ATOM 2 CA ASN A 1 14.546 -7.828 -7.479 1.00 0.00 C ATOM 3 C ASN A 1 14.819 -8.083 -8.965 1.00 0.00 C ATOM 4 O ASN A 1 15.703 -7.495 -9.556 1.00 0.00 O ATOM 5 CB ASN A 1 13.104 -7.361 -7.273 1.00 0.00 C ATOM 6 CG ASN A 1 12.820 -7.232 -5.776 1.00 0.00 C ATOM 7 OD1 ASN A 1 13.076 -8.145 -5.016 1.00 0.00 O ATOM 8 ND2 ASN A 1 12.298 -6.129 -5.317 1.00 0.00 N ATOM 0 H1 ASN A 1 15.961 -7.040 -6.165 1.00 0.00 H new ATOM 0 H2 ASN A 1 16.044 -6.399 -7.735 1.00 0.00 H new ATOM 0 H3 ASN A 1 14.800 -5.916 -6.685 1.00 0.00 H new ATOM 0 HA ASN A 1 14.747 -8.761 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 1 12.946 -6.403 -7.768 1.00 0.00 H new ATOM 0 HB3 ASN A 1 12.412 -8.071 -7.726 1.00 0.00 H new ATOM 0 HD21 ASN A 1 12.105 -6.033 -4.320 1.00 0.00 H new ATOM 0 HD22 ASN A 1 12.083 -5.363 -5.955 1.00 0.00 H new ATOM 17 N GLU A 2 14.064 -8.959 -9.570 1.00 0.00 N ATOM 18 CA GLU A 2 14.274 -9.261 -11.014 1.00 0.00 C ATOM 19 C GLU A 2 13.926 -8.054 -11.897 1.00 0.00 C ATOM 20 O GLU A 2 14.627 -7.773 -12.849 1.00 0.00 O ATOM 21 CB GLU A 2 13.333 -10.429 -11.317 1.00 0.00 C ATOM 22 CG GLU A 2 13.539 -10.885 -12.763 1.00 0.00 C ATOM 23 CD GLU A 2 12.658 -12.103 -13.046 1.00 0.00 C ATOM 24 OE1 GLU A 2 12.224 -12.729 -12.092 1.00 0.00 O ATOM 25 OE2 GLU A 2 12.433 -12.390 -14.211 1.00 0.00 O ATOM 0 H GLU A 2 13.309 -9.480 -9.125 1.00 0.00 H new ATOM 0 HA GLU A 2 15.317 -9.500 -11.222 1.00 0.00 H new ATOM 0 HB2 GLU A 2 13.528 -11.255 -10.632 1.00 0.00 H new ATOM 0 HB3 GLU A 2 12.297 -10.125 -11.164 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.290 -10.076 -13.449 1.00 0.00 H new ATOM 0 HG3 GLU A 2 14.587 -11.134 -12.931 1.00 0.00 H new ATOM 32 N PRO A 3 12.848 -7.380 -11.574 1.00 0.00 N ATOM 33 CA PRO A 3 12.426 -6.212 -12.383 1.00 0.00 C ATOM 34 C PRO A 3 13.327 -5.003 -12.110 1.00 0.00 C ATOM 35 O PRO A 3 13.249 -3.996 -12.786 1.00 0.00 O ATOM 36 CB PRO A 3 10.998 -5.947 -11.921 1.00 0.00 C ATOM 37 CG PRO A 3 10.919 -6.517 -10.539 1.00 0.00 C ATOM 38 CD PRO A 3 11.933 -7.630 -10.448 1.00 0.00 C ATOM 0 HA PRO A 3 12.493 -6.395 -13.456 1.00 0.00 H new ATOM 0 HB2 PRO A 3 10.776 -4.880 -11.920 1.00 0.00 H new ATOM 0 HB3 PRO A 3 10.275 -6.422 -12.584 1.00 0.00 H new ATOM 0 HG2 PRO A 3 11.126 -5.748 -9.795 1.00 0.00 H new ATOM 0 HG3 PRO A 3 9.917 -6.894 -10.337 1.00 0.00 H new ATOM 0 HD2 PRO A 3 12.461 -7.611 -9.494 1.00 0.00 H new ATOM 0 HD3 PRO A 3 11.459 -8.608 -10.530 1.00 0.00 H new ATOM 46 N VAL A 4 14.189 -5.093 -11.135 1.00 0.00 N ATOM 47 CA VAL A 4 15.093 -3.945 -10.837 1.00 0.00 C ATOM 48 C VAL A 4 16.537 -4.432 -10.697 1.00 0.00 C ATOM 49 O VAL A 4 16.788 -5.556 -10.311 1.00 0.00 O ATOM 50 CB VAL A 4 14.591 -3.370 -9.514 1.00 0.00 C ATOM 51 CG1 VAL A 4 13.183 -2.807 -9.704 1.00 0.00 C ATOM 52 CG2 VAL A 4 14.557 -4.474 -8.458 1.00 0.00 C ATOM 0 H VAL A 4 14.307 -5.908 -10.533 1.00 0.00 H new ATOM 0 HA VAL A 4 15.084 -3.199 -11.632 1.00 0.00 H new ATOM 0 HB VAL A 4 15.261 -2.574 -9.188 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.825 -2.397 -8.760 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.205 -2.019 -10.457 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.514 -3.603 -10.031 1.00 0.00 H new ATOM 0 HG21 VAL A 4 14.199 -4.064 -7.514 1.00 0.00 H new ATOM 0 HG22 VAL A 4 13.888 -5.270 -8.785 1.00 0.00 H new ATOM 0 HG23 VAL A 4 15.560 -4.877 -8.321 1.00 0.00 H new ATOM 62 N SER A 5 17.488 -3.596 -11.011 1.00 0.00 N ATOM 63 CA SER A 5 18.914 -4.014 -10.895 1.00 0.00 C ATOM 64 C SER A 5 19.607 -3.238 -9.771 1.00 0.00 C ATOM 65 O SER A 5 19.449 -2.042 -9.640 1.00 0.00 O ATOM 66 CB SER A 5 19.535 -3.668 -12.249 1.00 0.00 C ATOM 67 OG SER A 5 20.751 -4.381 -12.409 1.00 0.00 O ATOM 0 H SER A 5 17.340 -2.643 -11.342 1.00 0.00 H new ATOM 0 HA SER A 5 19.017 -5.072 -10.655 1.00 0.00 H new ATOM 0 HB2 SER A 5 18.844 -3.922 -13.053 1.00 0.00 H new ATOM 0 HB3 SER A 5 19.719 -2.596 -12.313 1.00 0.00 H new ATOM 0 HG SER A 5 21.172 -4.124 -13.256 1.00 0.00 H new ATOM 73 N CYS A 6 20.373 -3.912 -8.958 1.00 0.00 N ATOM 74 CA CYS A 6 21.074 -3.213 -7.844 1.00 0.00 C ATOM 75 C CYS A 6 22.068 -2.191 -8.406 1.00 0.00 C ATOM 76 O CYS A 6 22.206 -1.099 -7.893 1.00 0.00 O ATOM 77 CB CYS A 6 21.809 -4.319 -7.084 1.00 0.00 C ATOM 78 SG CYS A 6 22.706 -3.601 -5.686 1.00 0.00 S ATOM 0 H CYS A 6 20.544 -4.916 -9.017 1.00 0.00 H new ATOM 0 HA CYS A 6 20.387 -2.665 -7.200 1.00 0.00 H new ATOM 0 HB2 CYS A 6 21.098 -5.065 -6.729 1.00 0.00 H new ATOM 0 HB3 CYS A 6 22.503 -4.832 -7.750 1.00 0.00 H new ATOM 83 N ILE A 7 22.761 -2.538 -9.458 1.00 0.00 N ATOM 84 CA ILE A 7 23.745 -1.585 -10.051 1.00 0.00 C ATOM 85 C ILE A 7 23.051 -0.276 -10.434 1.00 0.00 C ATOM 86 O ILE A 7 23.631 0.790 -10.357 1.00 0.00 O ATOM 87 CB ILE A 7 24.281 -2.292 -11.298 1.00 0.00 C ATOM 88 CG1 ILE A 7 23.144 -2.494 -12.303 1.00 0.00 C ATOM 89 CG2 ILE A 7 24.861 -3.651 -10.904 1.00 0.00 C ATOM 90 CD1 ILE A 7 23.712 -3.032 -13.617 1.00 0.00 C ATOM 0 H ILE A 7 22.689 -3.438 -9.932 1.00 0.00 H new ATOM 0 HA ILE A 7 24.542 -1.329 -9.353 1.00 0.00 H new ATOM 0 HB ILE A 7 25.061 -1.681 -11.753 1.00 0.00 H new ATOM 0 HG12 ILE A 7 22.409 -3.191 -11.901 1.00 0.00 H new ATOM 0 HG13 ILE A 7 22.627 -1.550 -12.478 1.00 0.00 H new ATOM 0 HG21 ILE A 7 25.243 -4.155 -11.792 1.00 0.00 H new ATOM 0 HG22 ILE A 7 25.673 -3.507 -10.191 1.00 0.00 H new ATOM 0 HG23 ILE A 7 24.081 -4.261 -10.448 1.00 0.00 H new ATOM 0 HD11 ILE A 7 22.902 -3.176 -14.332 1.00 0.00 H new ATOM 0 HD12 ILE A 7 24.431 -2.319 -14.021 1.00 0.00 H new ATOM 0 HD13 ILE A 7 24.209 -3.985 -13.435 1.00 0.00 H new ATOM 102 N ARG A 8 21.814 -0.345 -10.847 1.00 0.00 N ATOM 103 CA ARG A 8 21.090 0.899 -11.234 1.00 0.00 C ATOM 104 C ARG A 8 21.024 1.861 -10.048 1.00 0.00 C ATOM 105 O ARG A 8 21.096 3.065 -10.204 1.00 0.00 O ATOM 106 CB ARG A 8 19.688 0.439 -11.630 1.00 0.00 C ATOM 107 CG ARG A 8 18.876 1.644 -12.105 1.00 0.00 C ATOM 108 CD ARG A 8 17.418 1.230 -12.308 1.00 0.00 C ATOM 109 NE ARG A 8 16.810 2.352 -13.079 1.00 0.00 N ATOM 110 CZ ARG A 8 16.304 3.377 -12.450 1.00 0.00 C ATOM 111 NH1 ARG A 8 16.596 3.583 -11.195 1.00 0.00 N ATOM 112 NH2 ARG A 8 15.506 4.198 -13.077 1.00 0.00 N ATOM 0 H ARG A 8 21.275 -1.207 -10.933 1.00 0.00 H new ATOM 0 HA ARG A 8 21.587 1.429 -12.046 1.00 0.00 H new ATOM 0 HB2 ARG A 8 19.748 -0.308 -12.421 1.00 0.00 H new ATOM 0 HB3 ARG A 8 19.195 -0.035 -10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 8 18.938 2.449 -11.373 1.00 0.00 H new ATOM 0 HG3 ARG A 8 19.289 2.029 -13.037 1.00 0.00 H new ATOM 0 HD2 ARG A 8 17.346 0.289 -12.854 1.00 0.00 H new ATOM 0 HD3 ARG A 8 16.911 1.085 -11.354 1.00 0.00 H new ATOM 0 HE ARG A 8 16.790 2.318 -14.098 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.220 2.942 -10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 8 16.200 4.385 -10.704 1.00 0.00 H new ATOM 0 HH21 ARG A 8 15.278 4.038 -14.058 1.00 0.00 H new ATOM 0 HH22 ARG A 8 15.110 4.999 -12.586 1.00 0.00 H new ATOM 126 N ASN A 9 20.890 1.339 -8.862 1.00 0.00 N ATOM 127 CA ASN A 9 20.822 2.220 -7.661 1.00 0.00 C ATOM 128 C ASN A 9 22.218 2.750 -7.321 1.00 0.00 C ATOM 129 O ASN A 9 22.367 3.772 -6.680 1.00 0.00 O ATOM 130 CB ASN A 9 20.300 1.320 -6.542 1.00 0.00 C ATOM 131 CG ASN A 9 20.065 2.155 -5.282 1.00 0.00 C ATOM 132 OD1 ASN A 9 20.766 3.117 -5.040 1.00 0.00 O ATOM 133 ND2 ASN A 9 19.103 1.826 -4.464 1.00 0.00 N ATOM 0 H ASN A 9 20.824 0.339 -8.671 1.00 0.00 H new ATOM 0 HA ASN A 9 20.181 3.088 -7.816 1.00 0.00 H new ATOM 0 HB2 ASN A 9 19.372 0.839 -6.851 1.00 0.00 H new ATOM 0 HB3 ASN A 9 21.017 0.525 -6.336 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.940 2.377 -3.621 1.00 0.00 H new ATOM 0 HD22 ASN A 9 18.514 1.018 -4.667 1.00 0.00 H new ATOM 140 N GLY A 10 23.242 2.060 -7.745 1.00 0.00 N ATOM 141 CA GLY A 10 24.626 2.522 -7.448 1.00 0.00 C ATOM 142 C GLY A 10 25.299 1.543 -6.482 1.00 0.00 C ATOM 143 O GLY A 10 26.426 1.740 -6.071 1.00 0.00 O ATOM 0 H GLY A 10 23.179 1.196 -8.284 1.00 0.00 H new ATOM 0 HA2 GLY A 10 25.202 2.592 -8.370 1.00 0.00 H new ATOM 0 HA3 GLY A 10 24.601 3.520 -7.011 1.00 0.00 H new ATOM 147 N GLY A 11 24.621 0.490 -6.117 1.00 0.00 N ATOM 148 CA GLY A 11 25.226 -0.496 -5.177 1.00 0.00 C ATOM 149 C GLY A 11 26.035 -1.524 -5.971 1.00 0.00 C ATOM 150 O GLY A 11 26.131 -1.453 -7.181 1.00 0.00 O ATOM 0 H GLY A 11 23.675 0.270 -6.428 1.00 0.00 H new ATOM 0 HA2 GLY A 11 25.869 0.015 -4.461 1.00 0.00 H new ATOM 0 HA3 GLY A 11 24.445 -0.995 -4.604 1.00 0.00 H new ATOM 154 N ILE A 12 26.618 -2.480 -5.301 1.00 0.00 N ATOM 155 CA ILE A 12 27.420 -3.509 -6.024 1.00 0.00 C ATOM 156 C ILE A 12 26.763 -4.883 -5.890 1.00 0.00 C ATOM 157 O ILE A 12 25.820 -5.062 -5.146 1.00 0.00 O ATOM 158 CB ILE A 12 28.790 -3.507 -5.344 1.00 0.00 C ATOM 159 CG1 ILE A 12 29.390 -2.101 -5.395 1.00 0.00 C ATOM 160 CG2 ILE A 12 29.720 -4.483 -6.069 1.00 0.00 C ATOM 161 CD1 ILE A 12 30.757 -2.108 -4.707 1.00 0.00 C ATOM 0 H ILE A 12 26.575 -2.594 -4.288 1.00 0.00 H new ATOM 0 HA ILE A 12 27.495 -3.292 -7.089 1.00 0.00 H new ATOM 0 HB ILE A 12 28.676 -3.813 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE A 12 29.493 -1.775 -6.430 1.00 0.00 H new ATOM 0 HG13 ILE A 12 28.726 -1.392 -4.902 1.00 0.00 H new ATOM 0 HG21 ILE A 12 30.697 -4.482 -5.585 1.00 0.00 H new ATOM 0 HG22 ILE A 12 29.296 -5.487 -6.030 1.00 0.00 H new ATOM 0 HG23 ILE A 12 29.830 -4.176 -7.109 1.00 0.00 H new ATOM 0 HD11 ILE A 12 31.187 -1.107 -4.742 1.00 0.00 H new ATOM 0 HD12 ILE A 12 30.640 -2.417 -3.668 1.00 0.00 H new ATOM 0 HD13 ILE A 12 31.419 -2.805 -5.220 1.00 0.00 H new ATOM 173 N CYS A 13 27.255 -5.857 -6.605 1.00 0.00 N ATOM 174 CA CYS A 13 26.655 -7.218 -6.510 1.00 0.00 C ATOM 175 C CYS A 13 27.731 -8.241 -6.143 1.00 0.00 C ATOM 176 O CYS A 13 28.891 -8.090 -6.472 1.00 0.00 O ATOM 177 CB CYS A 13 26.075 -7.539 -7.896 1.00 0.00 C ATOM 178 SG CYS A 13 25.448 -6.037 -8.699 1.00 0.00 S ATOM 0 H CYS A 13 28.042 -5.771 -7.248 1.00 0.00 H new ATOM 0 HA CYS A 13 25.883 -7.255 -5.741 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.844 -7.996 -8.519 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.270 -8.267 -7.798 1.00 0.00 H new ATOM 183 N GLN A 14 27.344 -9.283 -5.469 1.00 0.00 N ATOM 184 CA GLN A 14 28.320 -10.339 -5.071 1.00 0.00 C ATOM 185 C GLN A 14 27.599 -11.681 -4.929 1.00 0.00 C ATOM 186 O GLN A 14 26.413 -11.733 -4.668 1.00 0.00 O ATOM 187 CB GLN A 14 28.875 -9.888 -3.720 1.00 0.00 C ATOM 188 CG GLN A 14 29.991 -10.841 -3.284 1.00 0.00 C ATOM 189 CD GLN A 14 30.587 -10.361 -1.959 1.00 0.00 C ATOM 190 OE1 GLN A 14 30.491 -9.198 -1.621 1.00 0.00 O ATOM 191 NE2 GLN A 14 31.205 -11.215 -1.191 1.00 0.00 N ATOM 0 H GLN A 14 26.383 -9.453 -5.172 1.00 0.00 H new ATOM 0 HA GLN A 14 29.112 -10.470 -5.808 1.00 0.00 H new ATOM 0 HB2 GLN A 14 29.259 -8.871 -3.794 1.00 0.00 H new ATOM 0 HB3 GLN A 14 28.080 -9.876 -2.974 1.00 0.00 H new ATOM 0 HG2 GLN A 14 29.597 -11.851 -3.173 1.00 0.00 H new ATOM 0 HG3 GLN A 14 30.766 -10.884 -4.049 1.00 0.00 H new ATOM 0 HE21 GLN A 14 31.285 -12.191 -1.475 1.00 0.00 H new ATOM 0 HE22 GLN A 14 31.608 -10.907 -0.306 1.00 0.00 H new ATOM 200 N TYR A 15 28.299 -12.768 -5.097 1.00 0.00 N ATOM 201 CA TYR A 15 27.642 -14.101 -4.970 1.00 0.00 C ATOM 202 C TYR A 15 27.004 -14.249 -3.587 1.00 0.00 C ATOM 203 O TYR A 15 25.922 -14.783 -3.446 1.00 0.00 O ATOM 204 CB TYR A 15 28.765 -15.124 -5.152 1.00 0.00 C ATOM 205 CG TYR A 15 29.309 -15.042 -6.559 1.00 0.00 C ATOM 206 CD1 TYR A 15 28.591 -15.602 -7.621 1.00 0.00 C ATOM 207 CD2 TYR A 15 30.536 -14.412 -6.798 1.00 0.00 C ATOM 208 CE1 TYR A 15 29.098 -15.531 -8.923 1.00 0.00 C ATOM 209 CE2 TYR A 15 31.043 -14.339 -8.101 1.00 0.00 C ATOM 210 CZ TYR A 15 30.325 -14.900 -9.163 1.00 0.00 C ATOM 211 OH TYR A 15 30.826 -14.829 -10.446 1.00 0.00 O ATOM 0 H TYR A 15 29.295 -12.792 -5.316 1.00 0.00 H new ATOM 0 HA TYR A 15 26.847 -14.236 -5.704 1.00 0.00 H new ATOM 0 HB2 TYR A 15 29.562 -14.935 -4.433 1.00 0.00 H new ATOM 0 HB3 TYR A 15 28.390 -16.128 -4.955 1.00 0.00 H new ATOM 0 HD1 TYR A 15 27.645 -16.089 -7.436 1.00 0.00 H new ATOM 0 HD2 TYR A 15 31.091 -13.982 -5.977 1.00 0.00 H new ATOM 0 HE1 TYR A 15 28.543 -15.963 -9.743 1.00 0.00 H new ATOM 0 HE2 TYR A 15 31.988 -13.850 -8.286 1.00 0.00 H new ATOM 0 HH TYR A 15 31.685 -14.358 -10.436 1.00 0.00 H new ATOM 221 N ARG A 16 27.667 -13.783 -2.567 1.00 0.00 N ATOM 222 CA ARG A 16 27.100 -13.902 -1.190 1.00 0.00 C ATOM 223 C ARG A 16 27.473 -12.674 -0.347 1.00 0.00 C ATOM 224 O ARG A 16 28.449 -12.000 -0.612 1.00 0.00 O ATOM 225 CB ARG A 16 27.742 -15.161 -0.603 1.00 0.00 C ATOM 226 CG ARG A 16 27.325 -16.388 -1.420 1.00 0.00 C ATOM 227 CD ARG A 16 25.826 -16.639 -1.244 1.00 0.00 C ATOM 228 NE ARG A 16 25.679 -17.117 0.159 1.00 0.00 N ATOM 229 CZ ARG A 16 24.507 -17.476 0.605 1.00 0.00 C ATOM 230 NH1 ARG A 16 23.629 -17.990 -0.213 1.00 0.00 N ATOM 231 NH2 ARG A 16 24.212 -17.321 1.866 1.00 0.00 N ATOM 0 H ARG A 16 28.576 -13.325 -2.624 1.00 0.00 H new ATOM 0 HA ARG A 16 26.012 -13.961 -1.201 1.00 0.00 H new ATOM 0 HB2 ARG A 16 28.827 -15.062 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 16 27.437 -15.284 0.436 1.00 0.00 H new ATOM 0 HG2 ARG A 16 27.556 -16.231 -2.474 1.00 0.00 H new ATOM 0 HG3 ARG A 16 27.890 -17.262 -1.096 1.00 0.00 H new ATOM 0 HD2 ARG A 16 25.251 -15.729 -1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 16 25.464 -17.382 -1.954 1.00 0.00 H new ATOM 0 HE ARG A 16 26.494 -17.164 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 16 23.860 -18.110 -1.199 1.00 0.00 H new ATOM 0 HH12 ARG A 16 22.712 -18.271 0.134 1.00 0.00 H new ATOM 0 HH21 ARG A 16 24.898 -16.919 2.505 1.00 0.00 H new ATOM 0 HH22 ARG A 16 23.295 -17.602 2.214 1.00 0.00 H new ATOM 245 N CYS A 17 26.705 -12.384 0.669 1.00 0.00 N ATOM 246 CA CYS A 17 27.015 -11.207 1.534 1.00 0.00 C ATOM 247 C CYS A 17 27.044 -11.630 3.006 1.00 0.00 C ATOM 248 O CYS A 17 26.510 -12.657 3.375 1.00 0.00 O ATOM 249 CB CYS A 17 25.878 -10.215 1.286 1.00 0.00 C ATOM 250 SG CYS A 17 26.083 -9.456 -0.344 1.00 0.00 S ATOM 0 H CYS A 17 25.875 -12.912 0.938 1.00 0.00 H new ATOM 0 HA CYS A 17 27.988 -10.773 1.305 1.00 0.00 H new ATOM 0 HB2 CYS A 17 24.917 -10.726 1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 17 25.877 -9.447 2.059 1.00 0.00 H new ATOM 255 N ILE A 18 27.659 -10.849 3.850 1.00 0.00 N ATOM 256 CA ILE A 18 27.716 -11.214 5.295 1.00 0.00 C ATOM 257 C ILE A 18 26.857 -10.252 6.120 1.00 0.00 C ATOM 258 O ILE A 18 26.356 -9.264 5.619 1.00 0.00 O ATOM 259 CB ILE A 18 29.190 -11.085 5.683 1.00 0.00 C ATOM 260 CG1 ILE A 18 29.641 -9.636 5.499 1.00 0.00 C ATOM 261 CG2 ILE A 18 30.035 -11.996 4.792 1.00 0.00 C ATOM 262 CD1 ILE A 18 31.064 -9.475 6.040 1.00 0.00 C ATOM 0 H ILE A 18 28.124 -9.975 3.603 1.00 0.00 H new ATOM 0 HA ILE A 18 27.334 -12.218 5.480 1.00 0.00 H new ATOM 0 HB ILE A 18 29.316 -11.377 6.726 1.00 0.00 H new ATOM 0 HG12 ILE A 18 29.608 -9.364 4.444 1.00 0.00 H new ATOM 0 HG13 ILE A 18 28.962 -8.963 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 18 31.085 -11.904 5.069 1.00 0.00 H new ATOM 0 HG22 ILE A 18 29.715 -13.030 4.922 1.00 0.00 H new ATOM 0 HG23 ILE A 18 29.908 -11.705 3.749 1.00 0.00 H new ATOM 0 HD11 ILE A 18 31.388 -8.442 5.910 1.00 0.00 H new ATOM 0 HD12 ILE A 18 31.081 -9.730 7.100 1.00 0.00 H new ATOM 0 HD13 ILE A 18 31.737 -10.138 5.496 1.00 0.00 H new ATOM 274 N GLY A 19 26.682 -10.532 7.383 1.00 0.00 N ATOM 275 CA GLY A 19 25.856 -9.634 8.238 1.00 0.00 C ATOM 276 C GLY A 19 26.419 -8.212 8.184 1.00 0.00 C ATOM 277 O GLY A 19 25.690 -7.243 8.245 1.00 0.00 O ATOM 0 H GLY A 19 27.075 -11.344 7.859 1.00 0.00 H new ATOM 0 HA2 GLY A 19 24.821 -9.639 7.895 1.00 0.00 H new ATOM 0 HA3 GLY A 19 25.853 -9.996 9.266 1.00 0.00 H new ATOM 281 N LEU A 20 27.712 -8.078 8.070 1.00 0.00 N ATOM 282 CA LEU A 20 28.318 -6.717 8.014 1.00 0.00 C ATOM 283 C LEU A 20 27.808 -5.960 6.782 1.00 0.00 C ATOM 284 O LEU A 20 27.630 -4.758 6.814 1.00 0.00 O ATOM 285 CB LEU A 20 29.825 -6.956 7.917 1.00 0.00 C ATOM 286 CG LEU A 20 30.378 -7.285 9.306 1.00 0.00 C ATOM 287 CD1 LEU A 20 29.886 -8.668 9.736 1.00 0.00 C ATOM 288 CD2 LEU A 20 31.907 -7.278 9.266 1.00 0.00 C ATOM 0 H LEU A 20 28.375 -8.851 8.013 1.00 0.00 H new ATOM 0 HA LEU A 20 28.059 -6.113 8.884 1.00 0.00 H new ATOM 0 HB2 LEU A 20 30.031 -7.775 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 20 30.320 -6.071 7.517 1.00 0.00 H new ATOM 0 HG LEU A 20 30.032 -6.537 10.019 1.00 0.00 H new ATOM 0 HD11 LEU A 20 30.279 -8.903 10.725 1.00 0.00 H new ATOM 0 HD12 LEU A 20 28.796 -8.673 9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 20 30.231 -9.415 9.021 1.00 0.00 H new ATOM 0 HD21 LEU A 20 32.298 -7.512 10.256 1.00 0.00 H new ATOM 0 HD22 LEU A 20 32.256 -8.024 8.552 1.00 0.00 H new ATOM 0 HD23 LEU A 20 32.258 -6.292 8.961 1.00 0.00 H new ATOM 300 N ARG A 21 27.570 -6.651 5.701 1.00 0.00 N ATOM 301 CA ARG A 21 27.067 -5.963 4.476 1.00 0.00 C ATOM 302 C ARG A 21 25.563 -6.212 4.317 1.00 0.00 C ATOM 303 O ARG A 21 25.128 -7.324 4.097 1.00 0.00 O ATOM 304 CB ARG A 21 27.839 -6.594 3.317 1.00 0.00 C ATOM 305 CG ARG A 21 29.337 -6.338 3.500 1.00 0.00 C ATOM 306 CD ARG A 21 30.130 -7.270 2.583 1.00 0.00 C ATOM 307 NE ARG A 21 29.774 -6.840 1.201 1.00 0.00 N ATOM 308 CZ ARG A 21 30.410 -5.848 0.642 1.00 0.00 C ATOM 309 NH1 ARG A 21 29.757 -4.783 0.266 1.00 0.00 N ATOM 310 NH2 ARG A 21 31.700 -5.919 0.459 1.00 0.00 N ATOM 0 H ARG A 21 27.701 -7.659 5.612 1.00 0.00 H new ATOM 0 HA ARG A 21 27.212 -4.884 4.519 1.00 0.00 H new ATOM 0 HB2 ARG A 21 27.645 -7.666 3.278 1.00 0.00 H new ATOM 0 HB3 ARG A 21 27.501 -6.174 2.370 1.00 0.00 H new ATOM 0 HG2 ARG A 21 29.570 -5.299 3.269 1.00 0.00 H new ATOM 0 HG3 ARG A 21 29.621 -6.505 4.539 1.00 0.00 H new ATOM 0 HD2 ARG A 21 31.202 -7.182 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 21 29.864 -8.313 2.753 1.00 0.00 H new ATOM 0 HE ARG A 21 29.033 -7.322 0.692 1.00 0.00 H new ATOM 0 HH11 ARG A 21 28.749 -4.726 0.409 1.00 0.00 H new ATOM 0 HH12 ARG A 21 30.255 -4.007 -0.171 1.00 0.00 H new ATOM 0 HH21 ARG A 21 32.212 -6.751 0.753 1.00 0.00 H new ATOM 0 HH22 ARG A 21 32.197 -5.143 0.022 1.00 0.00 H new ATOM 324 N HIS A 22 24.765 -5.185 4.435 1.00 0.00 N ATOM 325 CA HIS A 22 23.290 -5.367 4.298 1.00 0.00 C ATOM 326 C HIS A 22 22.925 -5.726 2.854 1.00 0.00 C ATOM 327 O HIS A 22 23.613 -5.363 1.920 1.00 0.00 O ATOM 328 CB HIS A 22 22.690 -4.015 4.684 1.00 0.00 C ATOM 329 CG HIS A 22 22.972 -3.740 6.136 1.00 0.00 C ATOM 330 ND1 HIS A 22 22.815 -2.481 6.694 1.00 0.00 N ATOM 331 CD2 HIS A 22 23.400 -4.552 7.156 1.00 0.00 C ATOM 332 CE1 HIS A 22 23.144 -2.570 7.995 1.00 0.00 C ATOM 333 NE2 HIS A 22 23.508 -3.811 8.330 1.00 0.00 N ATOM 0 H HIS A 22 25.069 -4.229 4.620 1.00 0.00 H new ATOM 0 HA HIS A 22 22.915 -6.176 4.925 1.00 0.00 H new ATOM 0 HB2 HIS A 22 23.115 -3.226 4.064 1.00 0.00 H new ATOM 0 HB3 HIS A 22 21.615 -4.017 4.505 1.00 0.00 H new ATOM 0 HD2 HIS A 22 23.620 -5.605 7.063 1.00 0.00 H new ATOM 0 HE1 HIS A 22 23.117 -1.739 8.685 1.00 0.00 H new ATOM 0 HE2 HIS A 22 23.802 -4.144 9.248 1.00 0.00 H new ATOM 341 N LYS A 23 21.845 -6.434 2.666 1.00 0.00 N ATOM 342 CA LYS A 23 21.433 -6.816 1.284 1.00 0.00 C ATOM 343 C LYS A 23 20.037 -6.262 0.982 1.00 0.00 C ATOM 344 O LYS A 23 19.035 -6.850 1.340 1.00 0.00 O ATOM 345 CB LYS A 23 21.418 -8.345 1.284 1.00 0.00 C ATOM 346 CG LYS A 23 21.011 -8.852 -0.101 1.00 0.00 C ATOM 347 CD LYS A 23 20.570 -10.313 0.000 1.00 0.00 C ATOM 348 CE LYS A 23 19.887 -10.734 -1.303 1.00 0.00 C ATOM 349 NZ LYS A 23 19.387 -12.113 -1.040 1.00 0.00 N ATOM 0 H LYS A 23 21.230 -6.765 3.409 1.00 0.00 H new ATOM 0 HA LYS A 23 22.105 -6.418 0.524 1.00 0.00 H new ATOM 0 HB2 LYS A 23 22.403 -8.729 1.548 1.00 0.00 H new ATOM 0 HB3 LYS A 23 20.720 -8.712 2.037 1.00 0.00 H new ATOM 0 HG2 LYS A 23 20.199 -8.243 -0.499 1.00 0.00 H new ATOM 0 HG3 LYS A 23 21.848 -8.761 -0.794 1.00 0.00 H new ATOM 0 HD2 LYS A 23 21.432 -10.951 0.193 1.00 0.00 H new ATOM 0 HD3 LYS A 23 19.885 -10.440 0.839 1.00 0.00 H new ATOM 0 HE2 LYS A 23 19.070 -10.059 -1.558 1.00 0.00 H new ATOM 0 HE3 LYS A 23 20.586 -10.719 -2.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 19.611 -12.724 -1.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 19.843 -12.491 -0.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.357 -12.088 -0.900 1.00 0.00 H new ATOM 363 N ILE A 24 19.964 -5.132 0.332 1.00 0.00 N ATOM 364 CA ILE A 24 18.633 -4.537 0.013 1.00 0.00 C ATOM 365 C ILE A 24 17.864 -5.430 -0.964 1.00 0.00 C ATOM 366 O ILE A 24 16.650 -5.423 -0.999 1.00 0.00 O ATOM 367 CB ILE A 24 18.948 -3.188 -0.633 1.00 0.00 C ATOM 368 CG1 ILE A 24 19.767 -2.331 0.336 1.00 0.00 C ATOM 369 CG2 ILE A 24 17.642 -2.467 -0.972 1.00 0.00 C ATOM 370 CD1 ILE A 24 18.942 -2.050 1.593 1.00 0.00 C ATOM 0 H ILE A 24 20.768 -4.595 0.008 1.00 0.00 H new ATOM 0 HA ILE A 24 18.009 -4.433 0.901 1.00 0.00 H new ATOM 0 HB ILE A 24 19.522 -3.350 -1.545 1.00 0.00 H new ATOM 0 HG12 ILE A 24 20.690 -2.846 0.602 1.00 0.00 H new ATOM 0 HG13 ILE A 24 20.051 -1.394 -0.142 1.00 0.00 H new ATOM 0 HG21 ILE A 24 17.866 -1.505 -1.433 1.00 0.00 H new ATOM 0 HG22 ILE A 24 17.060 -3.074 -1.665 1.00 0.00 H new ATOM 0 HG23 ILE A 24 17.067 -2.307 -0.060 1.00 0.00 H new ATOM 0 HD11 ILE A 24 19.526 -1.440 2.282 1.00 0.00 H new ATOM 0 HD12 ILE A 24 18.031 -1.517 1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 24 18.680 -2.992 2.075 1.00 0.00 H new ATOM 382 N GLY A 25 18.559 -6.196 -1.758 1.00 0.00 N ATOM 383 CA GLY A 25 17.860 -7.082 -2.730 1.00 0.00 C ATOM 384 C GLY A 25 18.881 -7.945 -3.469 1.00 0.00 C ATOM 385 O GLY A 25 20.035 -8.024 -3.092 1.00 0.00 O ATOM 0 H GLY A 25 19.578 -6.247 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 25 17.144 -7.716 -2.208 1.00 0.00 H new ATOM 0 HA3 GLY A 25 17.294 -6.481 -3.442 1.00 0.00 H new ATOM 389 N THR A 26 18.464 -8.596 -4.518 1.00 0.00 N ATOM 390 CA THR A 26 19.405 -9.460 -5.284 1.00 0.00 C ATOM 391 C THR A 26 19.777 -8.800 -6.616 1.00 0.00 C ATOM 392 O THR A 26 18.993 -8.765 -7.544 1.00 0.00 O ATOM 393 CB THR A 26 18.638 -10.760 -5.525 1.00 0.00 C ATOM 394 OG1 THR A 26 17.534 -10.504 -6.380 1.00 0.00 O ATOM 395 CG2 THR A 26 18.135 -11.314 -4.190 1.00 0.00 C ATOM 0 H THR A 26 17.510 -8.567 -4.879 1.00 0.00 H new ATOM 0 HA THR A 26 20.338 -9.628 -4.747 1.00 0.00 H new ATOM 0 HB THR A 26 19.298 -11.491 -5.992 1.00 0.00 H new ATOM 0 HG1 THR A 26 17.784 -9.828 -7.044 1.00 0.00 H new ATOM 0 HG21 THR A 26 17.588 -12.241 -4.364 1.00 0.00 H new ATOM 0 HG22 THR A 26 18.984 -11.510 -3.535 1.00 0.00 H new ATOM 0 HG23 THR A 26 17.474 -10.586 -3.720 1.00 0.00 H new ATOM 403 N CYS A 27 20.972 -8.283 -6.719 1.00 0.00 N ATOM 404 CA CYS A 27 21.402 -7.634 -7.991 1.00 0.00 C ATOM 405 C CYS A 27 21.127 -8.576 -9.164 1.00 0.00 C ATOM 406 O CYS A 27 20.764 -8.156 -10.244 1.00 0.00 O ATOM 407 CB CYS A 27 22.906 -7.413 -7.820 1.00 0.00 C ATOM 408 SG CYS A 27 23.562 -6.514 -9.247 1.00 0.00 S ATOM 0 H CYS A 27 21.670 -8.282 -5.975 1.00 0.00 H new ATOM 0 HA CYS A 27 20.873 -6.703 -8.194 1.00 0.00 H new ATOM 0 HB2 CYS A 27 23.098 -6.852 -6.906 1.00 0.00 H new ATOM 0 HB3 CYS A 27 23.414 -8.372 -7.718 1.00 0.00 H new ATOM 413 N GLY A 28 21.292 -9.848 -8.945 1.00 0.00 N ATOM 414 CA GLY A 28 21.042 -10.844 -10.024 1.00 0.00 C ATOM 415 C GLY A 28 20.866 -12.220 -9.381 1.00 0.00 C ATOM 416 O GLY A 28 20.603 -12.326 -8.200 1.00 0.00 O ATOM 0 H GLY A 28 21.593 -10.246 -8.055 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.151 -10.574 -10.590 1.00 0.00 H new ATOM 0 HA3 GLY A 28 21.875 -10.858 -10.727 1.00 0.00 H new ATOM 420 N SER A 29 21.017 -13.276 -10.132 1.00 0.00 N ATOM 421 CA SER A 29 20.862 -14.627 -9.527 1.00 0.00 C ATOM 422 C SER A 29 22.211 -15.119 -8.994 1.00 0.00 C ATOM 423 O SER A 29 22.277 -15.668 -7.912 1.00 0.00 O ATOM 424 CB SER A 29 20.337 -15.535 -10.642 1.00 0.00 C ATOM 425 OG SER A 29 19.012 -15.150 -10.979 1.00 0.00 O ATOM 0 H SER A 29 21.239 -13.262 -11.128 1.00 0.00 H new ATOM 0 HA SER A 29 20.173 -14.620 -8.682 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.982 -15.464 -11.518 1.00 0.00 H new ATOM 0 HB3 SER A 29 20.354 -16.575 -10.317 1.00 0.00 H new ATOM 0 HG SER A 29 18.675 -15.729 -11.694 1.00 0.00 H new ATOM 431 N PRO A 30 23.254 -14.893 -9.753 1.00 0.00 N ATOM 432 CA PRO A 30 24.594 -15.309 -9.308 1.00 0.00 C ATOM 433 C PRO A 30 25.179 -14.243 -8.378 1.00 0.00 C ATOM 434 O PRO A 30 26.337 -14.290 -8.010 1.00 0.00 O ATOM 435 CB PRO A 30 25.389 -15.407 -10.603 1.00 0.00 C ATOM 436 CG PRO A 30 24.701 -14.488 -11.569 1.00 0.00 C ATOM 437 CD PRO A 30 23.295 -14.246 -11.069 1.00 0.00 C ATOM 0 HA PRO A 30 24.600 -16.245 -8.750 1.00 0.00 H new ATOM 0 HB2 PRO A 30 26.426 -15.109 -10.450 1.00 0.00 H new ATOM 0 HB3 PRO A 30 25.403 -16.430 -10.978 1.00 0.00 H new ATOM 0 HG2 PRO A 30 25.243 -13.546 -11.650 1.00 0.00 H new ATOM 0 HG3 PRO A 30 24.680 -14.930 -12.565 1.00 0.00 H new ATOM 0 HD2 PRO A 30 23.079 -13.180 -10.994 1.00 0.00 H new ATOM 0 HD3 PRO A 30 22.555 -14.674 -11.745 1.00 0.00 H new ATOM 445 N PHE A 31 24.380 -13.279 -7.993 1.00 0.00 N ATOM 446 CA PHE A 31 24.887 -12.206 -7.086 1.00 0.00 C ATOM 447 C PHE A 31 23.746 -11.613 -6.254 1.00 0.00 C ATOM 448 O PHE A 31 22.584 -11.901 -6.469 1.00 0.00 O ATOM 449 CB PHE A 31 25.457 -11.125 -8.007 1.00 0.00 C ATOM 450 CG PHE A 31 26.577 -11.686 -8.847 1.00 0.00 C ATOM 451 CD1 PHE A 31 27.867 -11.791 -8.316 1.00 0.00 C ATOM 452 CD2 PHE A 31 26.328 -12.086 -10.164 1.00 0.00 C ATOM 453 CE1 PHE A 31 28.909 -12.299 -9.101 1.00 0.00 C ATOM 454 CE2 PHE A 31 27.368 -12.593 -10.951 1.00 0.00 C ATOM 455 CZ PHE A 31 28.659 -12.700 -10.419 1.00 0.00 C ATOM 0 H PHE A 31 23.402 -13.189 -8.267 1.00 0.00 H new ATOM 0 HA PHE A 31 25.630 -12.598 -6.391 1.00 0.00 H new ATOM 0 HB2 PHE A 31 24.669 -10.736 -8.653 1.00 0.00 H new ATOM 0 HB3 PHE A 31 25.824 -10.288 -7.412 1.00 0.00 H new ATOM 0 HD1 PHE A 31 28.059 -11.480 -7.300 1.00 0.00 H new ATOM 0 HD2 PHE A 31 25.332 -12.003 -10.574 1.00 0.00 H new ATOM 0 HE1 PHE A 31 29.904 -12.381 -8.690 1.00 0.00 H new ATOM 0 HE2 PHE A 31 27.175 -12.902 -11.968 1.00 0.00 H new ATOM 0 HZ PHE A 31 29.462 -13.092 -11.026 1.00 0.00 H new ATOM 465 N LYS A 32 24.081 -10.773 -5.315 1.00 0.00 N ATOM 466 CA LYS A 32 23.044 -10.126 -4.464 1.00 0.00 C ATOM 467 C LYS A 32 23.350 -8.629 -4.346 1.00 0.00 C ATOM 468 O LYS A 32 24.463 -8.202 -4.575 1.00 0.00 O ATOM 469 CB LYS A 32 23.166 -10.802 -3.099 1.00 0.00 C ATOM 470 CG LYS A 32 22.890 -12.299 -3.241 1.00 0.00 C ATOM 471 CD LYS A 32 22.933 -12.953 -1.859 1.00 0.00 C ATOM 472 CE LYS A 32 22.752 -14.465 -2.002 1.00 0.00 C ATOM 473 NZ LYS A 32 22.600 -14.961 -0.606 1.00 0.00 N ATOM 0 H LYS A 32 25.041 -10.504 -5.099 1.00 0.00 H new ATOM 0 HA LYS A 32 22.040 -10.229 -4.875 1.00 0.00 H new ATOM 0 HB2 LYS A 32 24.164 -10.643 -2.691 1.00 0.00 H new ATOM 0 HB3 LYS A 32 22.461 -10.357 -2.397 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.915 -12.459 -3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 32 23.631 -12.757 -3.896 1.00 0.00 H new ATOM 0 HD2 LYS A 32 23.883 -12.735 -1.371 1.00 0.00 H new ATOM 0 HD3 LYS A 32 22.148 -12.541 -1.226 1.00 0.00 H new ATOM 0 HE2 LYS A 32 21.876 -14.704 -2.605 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.611 -14.922 -2.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 22.207 -15.924 -0.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.529 -14.973 -0.139 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 21.958 -14.333 -0.082 1.00 0.00 H new ATOM 487 N CYS A 33 22.383 -7.828 -3.993 1.00 0.00 N ATOM 488 CA CYS A 33 22.647 -6.363 -3.870 1.00 0.00 C ATOM 489 C CYS A 33 23.241 -6.054 -2.493 1.00 0.00 C ATOM 490 O CYS A 33 22.613 -6.265 -1.477 1.00 0.00 O ATOM 491 CB CYS A 33 21.280 -5.697 -4.028 1.00 0.00 C ATOM 492 SG CYS A 33 21.487 -3.901 -4.101 1.00 0.00 S ATOM 0 H CYS A 33 21.428 -8.119 -3.785 1.00 0.00 H new ATOM 0 HA CYS A 33 23.359 -6.005 -4.614 1.00 0.00 H new ATOM 0 HB2 CYS A 33 20.792 -6.054 -4.935 1.00 0.00 H new ATOM 0 HB3 CYS A 33 20.634 -5.965 -3.192 1.00 0.00 H new ATOM 497 N CYS A 34 24.449 -5.560 -2.452 1.00 0.00 N ATOM 498 CA CYS A 34 25.075 -5.247 -1.133 1.00 0.00 C ATOM 499 C CYS A 34 25.943 -3.989 -1.236 1.00 0.00 C ATOM 500 O CYS A 34 26.402 -3.624 -2.300 1.00 0.00 O ATOM 501 CB CYS A 34 25.935 -6.468 -0.804 1.00 0.00 C ATOM 502 SG CYS A 34 24.869 -7.841 -0.299 1.00 0.00 S ATOM 0 H CYS A 34 25.027 -5.360 -3.268 1.00 0.00 H new ATOM 0 HA CYS A 34 24.330 -5.051 -0.361 1.00 0.00 H new ATOM 0 HB2 CYS A 34 26.527 -6.754 -1.674 1.00 0.00 H new ATOM 0 HB3 CYS A 34 26.637 -6.227 -0.006 1.00 0.00 H new ATOM 507 N LYS A 35 26.174 -3.326 -0.135 1.00 0.00 N ATOM 508 CA LYS A 35 27.014 -2.095 -0.164 1.00 0.00 C ATOM 509 C LYS A 35 28.050 -2.139 0.961 1.00 0.00 C ATOM 510 O LYS A 35 27.691 -2.547 2.054 1.00 0.00 O ATOM 511 CB LYS A 35 26.038 -0.939 0.054 1.00 0.00 C ATOM 512 CG LYS A 35 25.019 -0.909 -1.086 1.00 0.00 C ATOM 513 CD LYS A 35 24.101 0.302 -0.914 1.00 0.00 C ATOM 514 CE LYS A 35 23.093 0.345 -2.064 1.00 0.00 C ATOM 515 NZ LYS A 35 22.388 1.648 -1.904 1.00 0.00 N ATOM 516 OXT LYS A 35 29.184 -1.763 0.712 1.00 0.00 O ATOM 0 H LYS A 35 25.816 -3.585 0.785 1.00 0.00 H new ATOM 0 HA LYS A 35 27.562 -1.992 -1.101 1.00 0.00 H new ATOM 0 HB2 LYS A 35 25.527 -1.056 1.010 1.00 0.00 H new ATOM 0 HB3 LYS A 35 26.580 0.006 0.096 1.00 0.00 H new ATOM 0 HG2 LYS A 35 25.532 -0.857 -2.046 1.00 0.00 H new ATOM 0 HG3 LYS A 35 24.432 -1.827 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 35 23.578 0.243 0.040 1.00 0.00 H new ATOM 0 HD3 LYS A 35 24.690 1.219 -0.898 1.00 0.00 H new ATOM 0 HE2 LYS A 35 23.593 0.282 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 35 22.396 -0.491 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 21.678 1.753 -2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.917 1.676 -0.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 23.076 2.425 -1.966 1.00 0.00 H new TER 530 LYS A 35