USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 349 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 Set 1.1: A 39 CYS SG : rot 170:sc= -0.344 USER MOD Set 1.2: A 41 CYS SG : rot 180:sc= -0.98 USER MOD Set 1.3: A 46 CYS SG : rot 50:sc= 0.811 USER MOD Set 1.4: A 52 CYS SG : rot -142:sc= 1.05 USER MOD Set 1.5: A 58 CYS SG : rot 38:sc= 1.21 USER MOD Set 1.6: A 60 CYS SG : rot 180:sc= 0.79 USER MOD Set 1.7: A 64 CYS SG : rot 180:sc= -0.2 USER MOD Set 1.8: A 66 CYS SG : rot 180:sc= -4.58! USER MOD Set 1.9: A 67 LYS NZ :NH3+ 172:sc= 2.12 (180deg=1.04) USER MOD Set 2.1: A 24 LYS NZ :NH3+ -111:sc= 0.215 (180deg=-0.0436) USER MOD Set 2.2: A 26 GLN : amide:sc= 0.222 X(o=0.44,f=-0.044) USER MOD Set 3.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 11 THR OG1 : rot -144:sc= 0.529 USER MOD Set 3.3: A 14 CYS SG : rot -23:sc= 0.00292 USER MOD Set 3.4: A 19 CYS SG : rot 180:sc= -0.326 USER MOD Set 3.5: A 21 CYS SG : rot 96:sc= -1.15 USER MOD Set 3.6: A 25 CYS SG : rot -160:sc= -0.819 USER MOD Set 3.7: A 27 CYS SG : rot -112:sc= -0.83 USER MOD Set 3.8: A 31 CYS SG : rot -152:sc= 0.00652 USER MOD Set 3.9: A 33 CYS SG : rot 180:sc= -0.561 USER MOD Set 3.10: A 36 CYS SG : rot 180:sc= 0.1 USER MOD Single : A 9 LYS NZ :NH3+ 146:sc= 1.23 (180deg=0.92) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 77:sc= 1.27 USER MOD Single : A 20 GLN : amide:sc= 0.382 X(o=0.38,f=-0.016) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot -38:sc= 0.352 USER MOD Single : A 37 LYS NZ :NH3+ 176:sc= 1.23 (180deg=1.15) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0.0223 USER MOD Single : A 40 ASN : amide:sc= 1.18 K(o=1.2,f=-0.13) USER MOD Single : A 42 THR OG1 : rot 125:sc= 1.31 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 160:sc= -0.0676 (180deg=-0.48) USER MOD Single : A 48 CYS SG : rot 180:sc= -0.548 USER MOD Single : A 50 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0192) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= 1.22 (180deg=1.13) USER MOD Single : A 62 SER OG : rot -126:sc= 0.732 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 98 N LYS A 9 14.553 -9.210 -17.522 1.00 0.00 N ATOM 99 CA LYS A 9 15.846 -8.566 -17.329 1.00 0.00 C ATOM 100 C LYS A 9 16.543 -9.065 -16.082 1.00 0.00 C ATOM 101 O LYS A 9 17.771 -9.043 -16.003 1.00 0.00 O ATOM 102 CB LYS A 9 15.684 -7.061 -17.249 1.00 0.00 C ATOM 103 CG LYS A 9 15.302 -6.409 -18.568 1.00 0.00 C ATOM 104 CD LYS A 9 16.443 -6.451 -19.572 1.00 0.00 C ATOM 105 CE LYS A 9 16.011 -5.909 -20.927 1.00 0.00 C ATOM 106 NZ LYS A 9 15.347 -4.585 -20.814 1.00 0.00 N ATOM 0 HA LYS A 9 16.463 -8.822 -18.190 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.922 -6.827 -16.506 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.618 -6.624 -16.896 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.432 -6.916 -18.985 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.012 -5.373 -18.391 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.283 -5.867 -19.196 1.00 0.00 H new ATOM 0 HD3 LYS A 9 16.794 -7.477 -19.684 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.882 -5.823 -21.577 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.330 -6.617 -21.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.576 -4.009 -21.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 14.317 -4.717 -20.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 15.682 -4.100 -19.957 1.00 0.00 H new ATOM 120 N CYS A 10 15.774 -9.503 -15.116 1.00 0.00 N ATOM 121 CA CYS A 10 16.337 -9.982 -13.879 1.00 0.00 C ATOM 122 C CYS A 10 16.925 -11.359 -14.028 1.00 0.00 C ATOM 123 O CYS A 10 16.516 -12.143 -14.887 1.00 0.00 O ATOM 124 CB CYS A 10 15.315 -9.947 -12.766 1.00 0.00 C ATOM 125 SG CYS A 10 14.897 -8.279 -12.252 1.00 0.00 S ATOM 0 H CYS A 10 14.756 -9.538 -15.163 1.00 0.00 H new ATOM 0 HA CYS A 10 17.151 -9.308 -13.613 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.410 -10.458 -13.095 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.700 -10.500 -11.909 1.00 0.00 H new ATOM 0 HG CYS A 10 14.015 -8.327 -11.298 1.00 0.00 H new ATOM 130 N THR A 11 17.879 -11.640 -13.192 1.00 0.00 N ATOM 131 CA THR A 11 18.592 -12.881 -13.222 1.00 0.00 C ATOM 132 C THR A 11 17.915 -13.899 -12.321 1.00 0.00 C ATOM 133 O THR A 11 16.967 -13.567 -11.602 1.00 0.00 O ATOM 134 CB THR A 11 20.014 -12.653 -12.720 1.00 0.00 C ATOM 135 OG1 THR A 11 19.977 -12.316 -11.322 1.00 0.00 O ATOM 136 CG2 THR A 11 20.656 -11.521 -13.491 1.00 0.00 C ATOM 0 H THR A 11 18.189 -11.003 -12.458 1.00 0.00 H new ATOM 0 HA THR A 11 18.604 -13.256 -14.245 1.00 0.00 H new ATOM 0 HB THR A 11 20.597 -13.563 -12.865 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.675 -11.657 -11.126 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.671 -11.363 -13.128 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.685 -11.773 -14.551 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.075 -10.610 -13.351 1.00 0.00 H new ATOM 144 N SER A 12 18.400 -15.127 -12.342 1.00 0.00 N ATOM 145 CA SER A 12 17.874 -16.150 -11.466 1.00 0.00 C ATOM 146 C SER A 12 18.280 -15.830 -10.032 1.00 0.00 C ATOM 147 O SER A 12 17.578 -16.165 -9.079 1.00 0.00 O ATOM 148 CB SER A 12 18.408 -17.522 -11.875 1.00 0.00 C ATOM 149 OG SER A 12 18.162 -17.769 -13.252 1.00 0.00 O ATOM 0 H SER A 12 19.154 -15.437 -12.955 1.00 0.00 H new ATOM 0 HA SER A 12 16.787 -16.172 -11.541 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.479 -17.574 -11.677 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.934 -18.296 -11.272 1.00 0.00 H new ATOM 0 HG SER A 12 18.513 -18.651 -13.494 1.00 0.00 H new ATOM 155 N ALA A 13 19.406 -15.140 -9.908 1.00 0.00 N ATOM 156 CA ALA A 13 19.948 -14.747 -8.624 1.00 0.00 C ATOM 157 C ALA A 13 19.072 -13.699 -7.952 1.00 0.00 C ATOM 158 O ALA A 13 18.842 -13.758 -6.745 1.00 0.00 O ATOM 159 CB ALA A 13 21.357 -14.222 -8.804 1.00 0.00 C ATOM 0 H ALA A 13 19.969 -14.838 -10.703 1.00 0.00 H new ATOM 0 HA ALA A 13 19.970 -15.624 -7.977 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.762 -13.927 -7.836 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.983 -15.002 -9.237 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.341 -13.358 -9.469 1.00 0.00 H new ATOM 165 N CYS A 14 18.581 -12.744 -8.735 1.00 0.00 N ATOM 166 CA CYS A 14 17.720 -11.690 -8.205 1.00 0.00 C ATOM 167 C CYS A 14 16.356 -12.260 -7.833 1.00 0.00 C ATOM 168 O CYS A 14 15.670 -11.741 -6.953 1.00 0.00 O ATOM 169 CB CYS A 14 17.566 -10.543 -9.221 1.00 0.00 C ATOM 170 SG CYS A 14 16.623 -9.109 -8.613 1.00 0.00 S ATOM 0 H CYS A 14 18.763 -12.677 -9.736 1.00 0.00 H new ATOM 0 HA CYS A 14 18.187 -11.286 -7.307 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.558 -10.207 -9.522 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.076 -10.930 -10.114 1.00 0.00 H new ATOM 0 HG CYS A 14 15.854 -9.479 -7.632 1.00 0.00 H new ATOM 175 N ARG A 15 15.972 -13.346 -8.498 1.00 0.00 N ATOM 176 CA ARG A 15 14.708 -14.004 -8.205 1.00 0.00 C ATOM 177 C ARG A 15 14.862 -14.921 -7.001 1.00 0.00 C ATOM 178 O ARG A 15 13.886 -15.474 -6.491 1.00 0.00 O ATOM 179 CB ARG A 15 14.210 -14.803 -9.407 1.00 0.00 C ATOM 180 CG ARG A 15 14.064 -13.985 -10.675 1.00 0.00 C ATOM 181 CD ARG A 15 13.428 -14.795 -11.791 1.00 0.00 C ATOM 182 NE ARG A 15 14.087 -16.093 -11.983 1.00 0.00 N ATOM 183 CZ ARG A 15 14.612 -16.515 -13.138 1.00 0.00 C ATOM 184 NH1 ARG A 15 14.614 -15.724 -14.207 1.00 0.00 N ATOM 185 NH2 ARG A 15 15.138 -17.730 -13.218 1.00 0.00 N ATOM 0 H ARG A 15 16.517 -13.785 -9.240 1.00 0.00 H new ATOM 0 HA ARG A 15 13.971 -13.233 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 15 14.901 -15.625 -9.595 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.246 -15.247 -9.161 1.00 0.00 H new ATOM 0 HG2 ARG A 15 13.456 -13.103 -10.472 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.044 -13.630 -10.995 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.374 -14.955 -11.565 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.472 -14.227 -12.720 1.00 0.00 H new ATOM 0 HE ARG A 15 14.149 -16.717 -11.178 1.00 0.00 H new ATOM 0 HH11 ARG A 15 14.213 -14.788 -14.149 1.00 0.00 H new ATOM 0 HH12 ARG A 15 15.016 -16.053 -15.084 1.00 0.00 H new ATOM 0 HH21 ARG A 15 15.141 -18.339 -12.400 1.00 0.00 H new ATOM 0 HH22 ARG A 15 15.539 -18.055 -14.098 1.00 0.00 H new ATOM 199 N SER A 16 16.093 -15.082 -6.560 1.00 0.00 N ATOM 200 CA SER A 16 16.392 -15.892 -5.408 1.00 0.00 C ATOM 201 C SER A 16 16.389 -15.021 -4.166 1.00 0.00 C ATOM 202 O SER A 16 16.582 -13.807 -4.254 1.00 0.00 O ATOM 203 CB SER A 16 17.745 -16.571 -5.587 1.00 0.00 C ATOM 204 OG SER A 16 17.747 -17.392 -6.745 1.00 0.00 O ATOM 0 H SER A 16 16.911 -14.653 -6.993 1.00 0.00 H new ATOM 0 HA SER A 16 15.633 -16.666 -5.297 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.528 -15.817 -5.669 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.974 -17.174 -4.708 1.00 0.00 H new ATOM 0 HG SER A 16 17.840 -16.831 -7.543 1.00 0.00 H new ATOM 210 N GLU A 17 16.164 -15.623 -3.023 1.00 0.00 N ATOM 211 CA GLU A 17 16.108 -14.877 -1.785 1.00 0.00 C ATOM 212 C GLU A 17 16.957 -15.538 -0.703 1.00 0.00 C ATOM 213 O GLU A 17 16.807 -16.731 -0.426 1.00 0.00 O ATOM 214 CB GLU A 17 14.656 -14.709 -1.336 1.00 0.00 C ATOM 215 CG GLU A 17 13.857 -15.998 -1.328 1.00 0.00 C ATOM 216 CD GLU A 17 12.382 -15.754 -1.176 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.690 -15.630 -2.205 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.901 -15.679 -0.031 1.00 0.00 O ATOM 0 H GLU A 17 16.016 -16.627 -2.922 1.00 0.00 H new ATOM 0 HA GLU A 17 16.527 -13.886 -1.958 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.644 -14.281 -0.334 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.164 -13.993 -1.994 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.039 -16.542 -2.255 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.204 -16.633 -0.513 1.00 0.00 H new ATOM 225 N PRO A 18 17.889 -14.774 -0.097 1.00 0.00 N ATOM 226 CA PRO A 18 18.120 -13.360 -0.441 1.00 0.00 C ATOM 227 C PRO A 18 18.741 -13.202 -1.832 1.00 0.00 C ATOM 228 O PRO A 18 19.175 -14.186 -2.436 1.00 0.00 O ATOM 229 CB PRO A 18 19.103 -12.890 0.636 1.00 0.00 C ATOM 230 CG PRO A 18 19.807 -14.128 1.064 1.00 0.00 C ATOM 231 CD PRO A 18 18.794 -15.234 0.968 1.00 0.00 C ATOM 0 HA PRO A 18 17.193 -12.788 -0.470 1.00 0.00 H new ATOM 0 HB2 PRO A 18 19.802 -12.153 0.241 1.00 0.00 H new ATOM 0 HB3 PRO A 18 18.582 -12.421 1.471 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.666 -14.329 0.424 1.00 0.00 H new ATOM 0 HG3 PRO A 18 20.183 -14.031 2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.261 -16.186 0.716 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.266 -15.378 1.910 1.00 0.00 H new ATOM 239 N CYS A 19 18.773 -11.970 -2.329 1.00 0.00 N ATOM 240 CA CYS A 19 19.318 -11.676 -3.652 1.00 0.00 C ATOM 241 C CYS A 19 20.736 -12.237 -3.768 1.00 0.00 C ATOM 242 O CYS A 19 21.582 -12.001 -2.905 1.00 0.00 O ATOM 243 CB CYS A 19 19.310 -10.161 -3.893 1.00 0.00 C ATOM 244 SG CYS A 19 19.505 -9.667 -5.622 1.00 0.00 S ATOM 0 H CYS A 19 18.425 -11.151 -1.831 1.00 0.00 H new ATOM 0 HA CYS A 19 18.698 -12.150 -4.412 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.372 -9.752 -3.517 1.00 0.00 H new ATOM 0 HB3 CYS A 19 20.112 -9.710 -3.308 1.00 0.00 H new ATOM 0 HG CYS A 19 19.482 -8.370 -5.708 1.00 0.00 H new ATOM 249 N GLN A 20 20.979 -12.994 -4.823 1.00 0.00 N ATOM 250 CA GLN A 20 22.257 -13.681 -5.003 1.00 0.00 C ATOM 251 C GLN A 20 23.097 -13.048 -6.112 1.00 0.00 C ATOM 252 O GLN A 20 24.021 -13.677 -6.629 1.00 0.00 O ATOM 253 CB GLN A 20 22.002 -15.150 -5.342 1.00 0.00 C ATOM 254 CG GLN A 20 21.249 -15.923 -4.272 1.00 0.00 C ATOM 255 CD GLN A 20 22.040 -16.082 -2.991 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.800 -17.039 -2.831 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.849 -15.170 -2.063 1.00 0.00 N ATOM 0 H GLN A 20 20.308 -13.152 -5.575 1.00 0.00 H new ATOM 0 HA GLN A 20 22.813 -13.594 -4.070 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.439 -15.202 -6.274 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.959 -15.640 -5.520 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.312 -15.411 -4.053 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.991 -16.909 -4.658 1.00 0.00 H new ATOM 0 HE21 GLN A 20 21.211 -14.393 -2.235 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.339 -15.240 -1.171 1.00 0.00 H new ATOM 266 N CYS A 21 22.798 -11.811 -6.460 1.00 0.00 N ATOM 267 CA CYS A 21 23.505 -11.143 -7.546 1.00 0.00 C ATOM 268 C CYS A 21 24.835 -10.543 -7.087 1.00 0.00 C ATOM 269 O CYS A 21 25.483 -9.797 -7.829 1.00 0.00 O ATOM 270 CB CYS A 21 22.618 -10.078 -8.163 1.00 0.00 C ATOM 271 SG CYS A 21 21.023 -10.714 -8.716 1.00 0.00 S ATOM 0 H CYS A 21 22.075 -11.248 -6.012 1.00 0.00 H new ATOM 0 HA CYS A 21 23.741 -11.894 -8.300 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.453 -9.285 -7.434 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.136 -9.629 -9.010 1.00 0.00 H new ATOM 0 HG CYS A 21 20.131 -10.510 -7.793 1.00 0.00 H new ATOM 276 N GLY A 22 25.243 -10.872 -5.876 1.00 0.00 N ATOM 277 CA GLY A 22 26.509 -10.398 -5.373 1.00 0.00 C ATOM 278 C GLY A 22 27.666 -11.048 -6.094 1.00 0.00 C ATOM 279 O GLY A 22 27.756 -12.273 -6.141 1.00 0.00 O ATOM 0 H GLY A 22 24.718 -11.461 -5.230 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.567 -9.316 -5.490 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.580 -10.607 -4.306 1.00 0.00 H new ATOM 283 N SER A 23 28.530 -10.220 -6.684 1.00 0.00 N ATOM 284 CA SER A 23 29.700 -10.679 -7.447 1.00 0.00 C ATOM 285 C SER A 23 29.302 -11.282 -8.793 1.00 0.00 C ATOM 286 O SER A 23 30.156 -11.734 -9.561 1.00 0.00 O ATOM 287 CB SER A 23 30.553 -11.658 -6.630 1.00 0.00 C ATOM 288 OG SER A 23 30.975 -11.064 -5.409 1.00 0.00 O ATOM 0 H SER A 23 28.440 -9.205 -6.648 1.00 0.00 H new ATOM 0 HA SER A 23 30.310 -9.800 -7.655 1.00 0.00 H new ATOM 0 HB2 SER A 23 29.979 -12.561 -6.421 1.00 0.00 H new ATOM 0 HB3 SER A 23 31.423 -11.962 -7.212 1.00 0.00 H new ATOM 0 HG SER A 23 31.516 -11.706 -4.903 1.00 0.00 H new ATOM 294 N LYS A 24 28.013 -11.268 -9.081 1.00 0.00 N ATOM 295 CA LYS A 24 27.505 -11.758 -10.340 1.00 0.00 C ATOM 296 C LYS A 24 26.094 -11.252 -10.576 1.00 0.00 C ATOM 297 O LYS A 24 25.112 -11.949 -10.307 1.00 0.00 O ATOM 298 CB LYS A 24 27.544 -13.291 -10.420 1.00 0.00 C ATOM 299 CG LYS A 24 27.095 -13.825 -11.771 1.00 0.00 C ATOM 300 CD LYS A 24 27.124 -15.343 -11.825 1.00 0.00 C ATOM 301 CE LYS A 24 26.497 -15.869 -13.114 1.00 0.00 C ATOM 302 NZ LYS A 24 27.197 -15.372 -14.333 1.00 0.00 N ATOM 0 H LYS A 24 27.295 -10.917 -8.448 1.00 0.00 H new ATOM 0 HA LYS A 24 28.157 -11.374 -11.124 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.559 -13.635 -10.218 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.906 -13.707 -9.640 1.00 0.00 H new ATOM 0 HG2 LYS A 24 26.084 -13.475 -11.981 1.00 0.00 H new ATOM 0 HG3 LYS A 24 27.740 -13.423 -12.552 1.00 0.00 H new ATOM 0 HD2 LYS A 24 28.154 -15.691 -11.752 1.00 0.00 H new ATOM 0 HD3 LYS A 24 26.589 -15.749 -10.967 1.00 0.00 H new ATOM 0 HE2 LYS A 24 26.518 -16.959 -13.106 1.00 0.00 H new ATOM 0 HE3 LYS A 24 25.449 -15.570 -13.153 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 26.578 -14.710 -14.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 28.072 -14.883 -14.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.430 -16.175 -14.951 1.00 0.00 H new ATOM 316 N CYS A 25 25.997 -10.029 -11.031 1.00 0.00 N ATOM 317 CA CYS A 25 24.723 -9.443 -11.341 1.00 0.00 C ATOM 318 C CYS A 25 24.621 -9.226 -12.833 1.00 0.00 C ATOM 319 O CYS A 25 25.579 -8.787 -13.471 1.00 0.00 O ATOM 320 CB CYS A 25 24.537 -8.125 -10.604 1.00 0.00 C ATOM 321 SG CYS A 25 22.889 -7.426 -10.791 1.00 0.00 S ATOM 0 H CYS A 25 26.796 -9.416 -11.196 1.00 0.00 H new ATOM 0 HA CYS A 25 23.935 -10.123 -11.017 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.740 -8.278 -9.544 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.271 -7.407 -10.969 1.00 0.00 H new ATOM 0 HG CYS A 25 22.922 -6.156 -10.515 1.00 0.00 H new ATOM 326 N GLN A 26 23.477 -9.541 -13.392 1.00 0.00 N ATOM 327 CA GLN A 26 23.283 -9.430 -14.824 1.00 0.00 C ATOM 328 C GLN A 26 21.933 -8.817 -15.143 1.00 0.00 C ATOM 329 O GLN A 26 21.440 -8.931 -16.264 1.00 0.00 O ATOM 330 CB GLN A 26 23.410 -10.809 -15.472 1.00 0.00 C ATOM 331 CG GLN A 26 24.805 -11.398 -15.375 1.00 0.00 C ATOM 332 CD GLN A 26 24.892 -12.782 -15.957 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.698 -13.775 -15.257 1.00 0.00 O ATOM 334 NE2 GLN A 26 25.182 -12.862 -17.233 1.00 0.00 N ATOM 0 H GLN A 26 22.662 -9.877 -12.878 1.00 0.00 H new ATOM 0 HA GLN A 26 24.053 -8.773 -15.229 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.703 -11.490 -14.999 1.00 0.00 H new ATOM 0 HB3 GLN A 26 23.128 -10.735 -16.522 1.00 0.00 H new ATOM 0 HG2 GLN A 26 25.507 -10.745 -15.893 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.110 -11.428 -14.329 1.00 0.00 H new ATOM 0 HE21 GLN A 26 25.335 -12.012 -17.775 1.00 0.00 H new ATOM 0 HE22 GLN A 26 25.255 -13.774 -17.683 1.00 0.00 H new ATOM 343 N CYS A 27 21.340 -8.165 -14.156 1.00 0.00 N ATOM 344 CA CYS A 27 20.054 -7.524 -14.343 1.00 0.00 C ATOM 345 C CYS A 27 20.181 -6.354 -15.300 1.00 0.00 C ATOM 346 O CYS A 27 21.257 -5.758 -15.432 1.00 0.00 O ATOM 347 CB CYS A 27 19.476 -7.064 -13.004 1.00 0.00 C ATOM 348 SG CYS A 27 19.055 -8.418 -11.887 1.00 0.00 S ATOM 0 H CYS A 27 21.730 -8.067 -13.219 1.00 0.00 H new ATOM 0 HA CYS A 27 19.368 -8.252 -14.775 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.198 -6.411 -12.513 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.582 -6.468 -13.190 1.00 0.00 H new ATOM 0 HG CYS A 27 17.764 -8.476 -11.742 1.00 0.00 H new ATOM 353 N GLY A 28 19.099 -6.041 -15.977 1.00 0.00 N ATOM 354 CA GLY A 28 19.118 -4.961 -16.930 1.00 0.00 C ATOM 355 C GLY A 28 18.917 -3.609 -16.284 1.00 0.00 C ATOM 356 O GLY A 28 19.374 -3.363 -15.167 1.00 0.00 O ATOM 0 H GLY A 28 18.202 -6.517 -15.885 1.00 0.00 H new ATOM 0 HA2 GLY A 28 20.070 -4.967 -17.461 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.337 -5.124 -17.673 1.00 0.00 H new ATOM 360 N GLU A 29 18.232 -2.741 -16.986 1.00 0.00 N ATOM 361 CA GLU A 29 17.962 -1.404 -16.504 1.00 0.00 C ATOM 362 C GLU A 29 16.633 -1.344 -15.762 1.00 0.00 C ATOM 363 O GLU A 29 16.374 -0.412 -14.997 1.00 0.00 O ATOM 364 CB GLU A 29 17.993 -0.397 -17.666 1.00 0.00 C ATOM 365 CG GLU A 29 17.742 -1.003 -19.050 1.00 0.00 C ATOM 366 CD GLU A 29 16.394 -1.676 -19.177 1.00 0.00 C ATOM 367 OE1 GLU A 29 15.412 -0.985 -19.503 1.00 0.00 O ATOM 368 OE2 GLU A 29 16.314 -2.906 -18.957 1.00 0.00 O ATOM 0 H GLU A 29 17.844 -2.939 -17.909 1.00 0.00 H new ATOM 0 HA GLU A 29 18.745 -1.133 -15.796 1.00 0.00 H new ATOM 0 HB2 GLU A 29 17.244 0.373 -17.481 1.00 0.00 H new ATOM 0 HB3 GLU A 29 18.964 0.098 -17.673 1.00 0.00 H new ATOM 0 HG2 GLU A 29 17.820 -0.217 -19.802 1.00 0.00 H new ATOM 0 HG3 GLU A 29 18.524 -1.730 -19.267 1.00 0.00 H new ATOM 375 N GLY A 30 15.799 -2.337 -15.991 1.00 0.00 N ATOM 376 CA GLY A 30 14.525 -2.395 -15.323 1.00 0.00 C ATOM 377 C GLY A 30 14.579 -3.240 -14.071 1.00 0.00 C ATOM 378 O GLY A 30 14.098 -4.369 -14.055 1.00 0.00 O ATOM 0 H GLY A 30 15.983 -3.109 -16.632 1.00 0.00 H new ATOM 0 HA2 GLY A 30 14.205 -1.385 -15.065 1.00 0.00 H new ATOM 0 HA3 GLY A 30 13.777 -2.803 -16.003 1.00 0.00 H new ATOM 382 N CYS A 31 15.188 -2.707 -13.034 1.00 0.00 N ATOM 383 CA CYS A 31 15.270 -3.393 -11.764 1.00 0.00 C ATOM 384 C CYS A 31 15.218 -2.390 -10.632 1.00 0.00 C ATOM 385 O CYS A 31 16.061 -1.500 -10.534 1.00 0.00 O ATOM 386 CB CYS A 31 16.546 -4.237 -11.663 1.00 0.00 C ATOM 387 SG CYS A 31 16.672 -5.196 -10.127 1.00 0.00 S ATOM 0 H CYS A 31 15.638 -1.792 -13.047 1.00 0.00 H new ATOM 0 HA CYS A 31 14.417 -4.068 -11.690 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.586 -4.920 -12.511 1.00 0.00 H new ATOM 0 HB3 CYS A 31 17.412 -3.580 -11.742 1.00 0.00 H new ATOM 0 HG CYS A 31 17.925 -5.391 -9.839 1.00 0.00 H new ATOM 392 N THR A 32 14.217 -2.521 -9.794 1.00 0.00 N ATOM 393 CA THR A 32 14.041 -1.627 -8.679 1.00 0.00 C ATOM 394 C THR A 32 14.496 -2.287 -7.363 1.00 0.00 C ATOM 395 O THR A 32 14.209 -1.790 -6.273 1.00 0.00 O ATOM 396 CB THR A 32 12.558 -1.169 -8.579 1.00 0.00 C ATOM 397 OG1 THR A 32 12.428 -0.073 -7.664 1.00 0.00 O ATOM 398 CG2 THR A 32 11.654 -2.317 -8.137 1.00 0.00 C ATOM 0 H THR A 32 13.505 -3.248 -9.867 1.00 0.00 H new ATOM 0 HA THR A 32 14.665 -0.749 -8.847 1.00 0.00 H new ATOM 0 HB THR A 32 12.247 -0.845 -9.572 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.032 -0.208 -6.904 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.624 -1.966 -8.076 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.718 -3.130 -8.860 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.973 -2.676 -7.159 1.00 0.00 H new ATOM 406 N CYS A 33 15.236 -3.394 -7.476 1.00 0.00 N ATOM 407 CA CYS A 33 15.730 -4.104 -6.298 1.00 0.00 C ATOM 408 C CYS A 33 16.917 -3.355 -5.700 1.00 0.00 C ATOM 409 O CYS A 33 17.940 -3.177 -6.354 1.00 0.00 O ATOM 410 CB CYS A 33 16.136 -5.541 -6.663 1.00 0.00 C ATOM 411 SG CYS A 33 16.590 -6.582 -5.247 1.00 0.00 S ATOM 0 H CYS A 33 15.504 -3.814 -8.366 1.00 0.00 H new ATOM 0 HA CYS A 33 14.931 -4.152 -5.558 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.310 -6.014 -7.195 1.00 0.00 H new ATOM 0 HB3 CYS A 33 16.979 -5.502 -7.353 1.00 0.00 H new ATOM 0 HG CYS A 33 16.912 -7.769 -5.667 1.00 0.00 H new ATOM 416 N ALA A 34 16.771 -2.918 -4.459 1.00 0.00 N ATOM 417 CA ALA A 34 17.810 -2.139 -3.785 1.00 0.00 C ATOM 418 C ALA A 34 19.041 -2.985 -3.457 1.00 0.00 C ATOM 419 O ALA A 34 20.106 -2.448 -3.152 1.00 0.00 O ATOM 420 CB ALA A 34 17.250 -1.505 -2.520 1.00 0.00 C ATOM 0 H ALA A 34 15.941 -3.088 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 34 18.130 -1.355 -4.471 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.031 -0.927 -2.026 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.421 -0.847 -2.779 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.896 -2.286 -1.847 1.00 0.00 H new ATOM 426 N ALA A 35 18.894 -4.297 -3.529 1.00 0.00 N ATOM 427 CA ALA A 35 19.982 -5.208 -3.217 1.00 0.00 C ATOM 428 C ALA A 35 21.102 -5.141 -4.259 1.00 0.00 C ATOM 429 O ALA A 35 22.271 -4.951 -3.912 1.00 0.00 O ATOM 430 CB ALA A 35 19.464 -6.629 -3.085 1.00 0.00 C ATOM 0 H ALA A 35 18.026 -4.757 -3.803 1.00 0.00 H new ATOM 0 HA ALA A 35 20.405 -4.895 -2.263 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.292 -7.298 -2.851 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.725 -6.674 -2.285 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.003 -6.937 -4.023 1.00 0.00 H new ATOM 436 N CYS A 36 20.752 -5.288 -5.528 1.00 0.00 N ATOM 437 CA CYS A 36 21.750 -5.288 -6.586 1.00 0.00 C ATOM 438 C CYS A 36 21.866 -3.928 -7.294 1.00 0.00 C ATOM 439 O CYS A 36 22.870 -3.655 -7.963 1.00 0.00 O ATOM 440 CB CYS A 36 21.471 -6.421 -7.585 1.00 0.00 C ATOM 441 SG CYS A 36 19.758 -6.521 -8.148 1.00 0.00 S ATOM 0 H CYS A 36 19.791 -5.408 -5.848 1.00 0.00 H new ATOM 0 HA CYS A 36 22.718 -5.467 -6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.118 -6.290 -8.453 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.744 -7.370 -7.124 1.00 0.00 H new ATOM 0 HG CYS A 36 19.634 -7.506 -8.987 1.00 0.00 H new ATOM 446 N LYS A 37 20.862 -3.070 -7.140 1.00 0.00 N ATOM 447 CA LYS A 37 20.901 -1.751 -7.765 1.00 0.00 C ATOM 448 C LYS A 37 21.603 -0.737 -6.865 1.00 0.00 C ATOM 449 O LYS A 37 21.136 -0.430 -5.771 1.00 0.00 O ATOM 450 CB LYS A 37 19.491 -1.258 -8.124 1.00 0.00 C ATOM 451 CG LYS A 37 19.473 0.110 -8.802 1.00 0.00 C ATOM 452 CD LYS A 37 18.062 0.538 -9.174 1.00 0.00 C ATOM 453 CE LYS A 37 18.062 1.893 -9.868 1.00 0.00 C ATOM 454 NZ LYS A 37 16.699 2.313 -10.285 1.00 0.00 N ATOM 0 H LYS A 37 20.021 -3.260 -6.595 1.00 0.00 H new ATOM 0 HA LYS A 37 21.472 -1.847 -8.688 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.018 -1.986 -8.783 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.890 -1.212 -7.216 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.914 0.852 -8.136 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.092 0.079 -9.699 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.614 -0.209 -9.829 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.445 0.586 -8.276 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.481 2.643 -9.197 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.710 1.851 -10.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.740 3.269 -10.691 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.334 1.649 -10.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.068 2.315 -9.458 1.00 0.00 H new ATOM 468 N THR A 38 22.722 -0.228 -7.339 1.00 0.00 N ATOM 469 CA THR A 38 23.488 0.763 -6.612 1.00 0.00 C ATOM 470 C THR A 38 23.718 1.987 -7.507 1.00 0.00 C ATOM 471 O THR A 38 23.201 2.040 -8.619 1.00 0.00 O ATOM 472 CB THR A 38 24.850 0.171 -6.132 1.00 0.00 C ATOM 473 OG1 THR A 38 25.545 1.111 -5.297 1.00 0.00 O ATOM 474 CG2 THR A 38 25.733 -0.205 -7.317 1.00 0.00 C ATOM 0 H THR A 38 23.126 -0.490 -8.238 1.00 0.00 H new ATOM 0 HA THR A 38 22.927 1.065 -5.728 1.00 0.00 H new ATOM 0 HB THR A 38 24.633 -0.729 -5.556 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.396 0.722 -5.004 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.675 -0.615 -6.953 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.224 -0.951 -7.927 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.931 0.682 -7.919 1.00 0.00 H new ATOM 482 N CYS A 39 24.463 2.958 -7.010 1.00 0.00 N ATOM 483 CA CYS A 39 24.776 4.174 -7.761 1.00 0.00 C ATOM 484 C CYS A 39 26.001 4.845 -7.156 1.00 0.00 C ATOM 485 O CYS A 39 26.158 4.882 -5.930 1.00 0.00 O ATOM 486 CB CYS A 39 23.572 5.139 -7.757 1.00 0.00 C ATOM 487 SG CYS A 39 23.825 6.708 -8.641 1.00 0.00 S ATOM 0 H CYS A 39 24.871 2.932 -6.075 1.00 0.00 H new ATOM 0 HA CYS A 39 24.991 3.908 -8.796 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.717 4.627 -8.198 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.311 5.363 -6.723 1.00 0.00 H new ATOM 0 HG CYS A 39 22.690 7.332 -8.750 1.00 0.00 H new ATOM 492 N ASN A 40 26.881 5.349 -8.008 1.00 0.00 N ATOM 493 CA ASN A 40 28.102 6.009 -7.548 1.00 0.00 C ATOM 494 C ASN A 40 27.885 7.495 -7.332 1.00 0.00 C ATOM 495 O ASN A 40 28.668 8.147 -6.638 1.00 0.00 O ATOM 496 CB ASN A 40 29.267 5.780 -8.524 1.00 0.00 C ATOM 497 CG ASN A 40 29.980 4.451 -8.300 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.950 4.375 -7.549 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.514 3.406 -8.949 1.00 0.00 N ATOM 0 H ASN A 40 26.776 5.316 -9.022 1.00 0.00 H new ATOM 0 HA ASN A 40 28.363 5.559 -6.590 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.890 5.816 -9.546 1.00 0.00 H new ATOM 0 HB3 ASN A 40 29.985 6.593 -8.421 1.00 0.00 H new ATOM 0 HD21 ASN A 40 29.960 2.496 -8.837 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.707 3.506 -9.564 1.00 0.00 H new ATOM 506 N CYS A 41 26.829 8.034 -7.919 1.00 0.00 N ATOM 507 CA CYS A 41 26.525 9.442 -7.767 1.00 0.00 C ATOM 508 C CYS A 41 26.046 9.759 -6.359 1.00 0.00 C ATOM 509 O CYS A 41 25.500 8.902 -5.658 1.00 0.00 O ATOM 510 CB CYS A 41 25.514 9.891 -8.804 1.00 0.00 C ATOM 511 SG CYS A 41 26.119 9.733 -10.495 1.00 0.00 S ATOM 0 H CYS A 41 26.171 7.517 -8.503 1.00 0.00 H new ATOM 0 HA CYS A 41 27.447 10.000 -7.931 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.603 9.302 -8.694 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.246 10.931 -8.616 1.00 0.00 H new ATOM 0 HG CYS A 41 25.201 10.133 -11.324 1.00 0.00 H new ATOM 516 N THR A 42 26.254 10.991 -5.960 1.00 0.00 N ATOM 517 CA THR A 42 25.943 11.440 -4.623 1.00 0.00 C ATOM 518 C THR A 42 25.072 12.684 -4.662 1.00 0.00 C ATOM 519 O THR A 42 24.591 13.087 -5.725 1.00 0.00 O ATOM 520 CB THR A 42 27.240 11.784 -3.879 1.00 0.00 C ATOM 521 OG1 THR A 42 27.991 12.722 -4.662 1.00 0.00 O ATOM 522 CG2 THR A 42 28.074 10.543 -3.650 1.00 0.00 C ATOM 0 H THR A 42 26.647 11.717 -6.559 1.00 0.00 H new ATOM 0 HA THR A 42 25.409 10.638 -4.112 1.00 0.00 H new ATOM 0 HB THR A 42 26.987 12.214 -2.910 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.189 13.515 -4.121 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.988 10.812 -3.121 1.00 0.00 H new ATOM 0 HG22 THR A 42 27.507 9.828 -3.054 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.329 10.094 -4.610 1.00 0.00 H new ATOM 530 N SER A 43 24.902 13.308 -3.504 1.00 0.00 N ATOM 531 CA SER A 43 24.126 14.526 -3.383 1.00 0.00 C ATOM 532 C SER A 43 24.909 15.736 -3.902 1.00 0.00 C ATOM 533 O SER A 43 24.486 16.879 -3.735 1.00 0.00 O ATOM 534 CB SER A 43 23.712 14.733 -1.931 1.00 0.00 C ATOM 535 OG SER A 43 22.963 13.620 -1.462 1.00 0.00 O ATOM 0 H SER A 43 25.300 12.980 -2.624 1.00 0.00 H new ATOM 0 HA SER A 43 23.230 14.427 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 43 24.598 14.870 -1.310 1.00 0.00 H new ATOM 0 HB3 SER A 43 23.117 15.642 -1.843 1.00 0.00 H new ATOM 0 HG SER A 43 22.707 13.768 -0.528 1.00 0.00 H new ATOM 541 N ASP A 44 26.066 15.470 -4.516 1.00 0.00 N ATOM 542 CA ASP A 44 26.864 16.517 -5.150 1.00 0.00 C ATOM 543 C ASP A 44 26.073 17.112 -6.291 1.00 0.00 C ATOM 544 O ASP A 44 26.161 18.308 -6.582 1.00 0.00 O ATOM 545 CB ASP A 44 28.182 15.946 -5.696 1.00 0.00 C ATOM 546 CG ASP A 44 29.239 15.747 -4.632 1.00 0.00 C ATOM 547 OD1 ASP A 44 30.325 16.350 -4.754 1.00 0.00 O ATOM 548 OD2 ASP A 44 28.993 14.993 -3.665 1.00 0.00 O ATOM 0 H ASP A 44 26.469 14.536 -4.586 1.00 0.00 H new ATOM 0 HA ASP A 44 27.097 17.279 -4.407 1.00 0.00 H new ATOM 0 HB2 ASP A 44 27.982 14.991 -6.181 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.570 16.617 -6.462 1.00 0.00 H new ATOM 553 N GLY A 45 25.296 16.262 -6.932 1.00 0.00 N ATOM 554 CA GLY A 45 24.477 16.688 -8.034 1.00 0.00 C ATOM 555 C GLY A 45 24.770 15.904 -9.282 1.00 0.00 C ATOM 556 O GLY A 45 25.046 16.486 -10.334 1.00 0.00 O ATOM 0 H GLY A 45 25.219 15.271 -6.703 1.00 0.00 H new ATOM 0 HA2 GLY A 45 23.425 16.573 -7.771 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.645 17.748 -8.223 1.00 0.00 H new ATOM 560 N CYS A 46 24.727 14.574 -9.155 1.00 0.00 N ATOM 561 CA CYS A 46 24.991 13.654 -10.264 1.00 0.00 C ATOM 562 C CYS A 46 26.466 13.665 -10.653 1.00 0.00 C ATOM 563 O CYS A 46 27.175 14.662 -10.464 1.00 0.00 O ATOM 564 CB CYS A 46 24.084 13.964 -11.473 1.00 0.00 C ATOM 565 SG CYS A 46 24.192 12.771 -12.828 1.00 0.00 S ATOM 0 H CYS A 46 24.507 14.104 -8.277 1.00 0.00 H new ATOM 0 HA CYS A 46 24.751 12.646 -9.925 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.050 14.011 -11.131 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.339 14.952 -11.856 1.00 0.00 H new ATOM 0 HG CYS A 46 24.062 11.566 -12.357 1.00 0.00 H new ATOM 570 N LYS A 47 26.923 12.553 -11.173 1.00 0.00 N ATOM 571 CA LYS A 47 28.310 12.399 -11.537 1.00 0.00 C ATOM 572 C LYS A 47 28.444 12.025 -13.006 1.00 0.00 C ATOM 573 O LYS A 47 29.200 12.653 -13.751 1.00 0.00 O ATOM 574 CB LYS A 47 28.944 11.324 -10.658 1.00 0.00 C ATOM 575 CG LYS A 47 30.321 11.666 -10.142 1.00 0.00 C ATOM 576 CD LYS A 47 31.353 11.680 -11.259 1.00 0.00 C ATOM 577 CE LYS A 47 32.757 11.884 -10.716 1.00 0.00 C ATOM 578 NZ LYS A 47 33.141 10.815 -9.764 1.00 0.00 N ATOM 0 H LYS A 47 26.347 11.732 -11.356 1.00 0.00 H new ATOM 0 HA LYS A 47 28.825 13.347 -11.383 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.288 11.135 -9.808 1.00 0.00 H new ATOM 0 HB3 LYS A 47 29.004 10.396 -11.227 1.00 0.00 H new ATOM 0 HG2 LYS A 47 30.296 12.642 -9.657 1.00 0.00 H new ATOM 0 HG3 LYS A 47 30.616 10.941 -9.383 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.308 10.740 -11.810 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.116 12.475 -11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 47 33.467 11.906 -11.543 1.00 0.00 H new ATOM 0 HE3 LYS A 47 32.817 12.852 -10.219 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 34.177 10.783 -9.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.721 11.012 -8.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 32.795 9.899 -10.113 1.00 0.00 H new ATOM 592 N CYS A 48 27.704 11.012 -13.419 1.00 0.00 N ATOM 593 CA CYS A 48 27.768 10.533 -14.792 1.00 0.00 C ATOM 594 C CYS A 48 27.062 11.505 -15.744 1.00 0.00 C ATOM 595 O CYS A 48 27.497 11.705 -16.883 1.00 0.00 O ATOM 596 CB CYS A 48 27.161 9.131 -14.893 1.00 0.00 C ATOM 597 SG CYS A 48 25.393 9.070 -14.571 1.00 0.00 S ATOM 0 H CYS A 48 27.050 10.503 -12.824 1.00 0.00 H new ATOM 0 HA CYS A 48 28.815 10.478 -15.090 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.351 8.736 -15.891 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.671 8.475 -14.188 1.00 0.00 H new ATOM 0 HG CYS A 48 24.974 7.845 -14.682 1.00 0.00 H new ATOM 602 N GLY A 49 25.981 12.116 -15.267 1.00 0.00 N ATOM 603 CA GLY A 49 25.247 13.073 -16.075 1.00 0.00 C ATOM 604 C GLY A 49 23.842 12.602 -16.421 1.00 0.00 C ATOM 605 O GLY A 49 23.219 13.117 -17.352 1.00 0.00 O ATOM 0 H GLY A 49 25.600 11.965 -14.333 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.186 14.021 -15.540 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.799 13.262 -16.996 1.00 0.00 H new ATOM 609 N LYS A 50 23.337 11.634 -15.673 1.00 0.00 N ATOM 610 CA LYS A 50 22.006 11.094 -15.919 1.00 0.00 C ATOM 611 C LYS A 50 20.978 11.658 -14.933 1.00 0.00 C ATOM 612 O LYS A 50 19.834 11.188 -14.878 1.00 0.00 O ATOM 613 CB LYS A 50 22.032 9.570 -15.861 1.00 0.00 C ATOM 614 CG LYS A 50 22.836 8.923 -16.984 1.00 0.00 C ATOM 615 CD LYS A 50 22.196 9.178 -18.342 1.00 0.00 C ATOM 616 CE LYS A 50 22.948 8.470 -19.460 1.00 0.00 C ATOM 617 NZ LYS A 50 24.306 9.036 -19.672 1.00 0.00 N ATOM 0 H LYS A 50 23.828 11.204 -14.889 1.00 0.00 H new ATOM 0 HA LYS A 50 21.701 11.400 -16.920 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.449 9.260 -14.903 1.00 0.00 H new ATOM 0 HB3 LYS A 50 21.008 9.197 -15.899 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.853 9.316 -16.979 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.909 7.849 -16.810 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.161 8.837 -18.326 1.00 0.00 H new ATOM 0 HD3 LYS A 50 22.175 10.250 -18.539 1.00 0.00 H new ATOM 0 HE2 LYS A 50 23.032 7.409 -19.224 1.00 0.00 H new ATOM 0 HE3 LYS A 50 22.376 8.547 -20.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.741 8.593 -20.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.235 10.062 -19.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 24.894 8.849 -18.835 1.00 0.00 H new ATOM 631 N GLU A 51 21.400 12.665 -14.167 1.00 0.00 N ATOM 632 CA GLU A 51 20.536 13.369 -13.205 1.00 0.00 C ATOM 633 C GLU A 51 20.118 12.446 -12.041 1.00 0.00 C ATOM 634 O GLU A 51 19.007 12.543 -11.511 1.00 0.00 O ATOM 635 CB GLU A 51 19.303 13.964 -13.918 1.00 0.00 C ATOM 636 CG GLU A 51 18.527 14.979 -13.087 1.00 0.00 C ATOM 637 CD GLU A 51 17.291 15.485 -13.790 1.00 0.00 C ATOM 638 OE1 GLU A 51 17.247 16.678 -14.152 1.00 0.00 O ATOM 639 OE2 GLU A 51 16.353 14.689 -13.993 1.00 0.00 O ATOM 0 H GLU A 51 22.356 13.021 -14.193 1.00 0.00 H new ATOM 0 HA GLU A 51 21.110 14.190 -12.776 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.628 14.441 -14.843 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.632 13.152 -14.197 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.240 14.523 -12.139 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.177 15.822 -12.851 1.00 0.00 H new ATOM 646 N CYS A 52 21.014 11.567 -11.645 1.00 0.00 N ATOM 647 CA CYS A 52 20.765 10.683 -10.524 1.00 0.00 C ATOM 648 C CYS A 52 21.673 11.045 -9.352 1.00 0.00 C ATOM 649 O CYS A 52 22.787 11.536 -9.546 1.00 0.00 O ATOM 650 CB CYS A 52 20.951 9.228 -10.942 1.00 0.00 C ATOM 651 SG CYS A 52 22.421 8.930 -11.934 1.00 0.00 S ATOM 0 H CYS A 52 21.926 11.445 -12.085 1.00 0.00 H new ATOM 0 HA CYS A 52 19.732 10.807 -10.199 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.998 8.607 -10.047 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.075 8.908 -11.506 1.00 0.00 H new ATOM 0 HG CYS A 52 22.152 8.055 -12.857 1.00 0.00 H new ATOM 656 N THR A 53 21.187 10.835 -8.141 1.00 0.00 N ATOM 657 CA THR A 53 21.938 11.191 -6.945 1.00 0.00 C ATOM 658 C THR A 53 21.871 10.084 -5.890 1.00 0.00 C ATOM 659 O THR A 53 21.823 10.351 -4.679 1.00 0.00 O ATOM 660 CB THR A 53 21.399 12.501 -6.342 1.00 0.00 C ATOM 661 OG1 THR A 53 19.964 12.456 -6.289 1.00 0.00 O ATOM 662 CG2 THR A 53 21.837 13.704 -7.165 1.00 0.00 C ATOM 0 H THR A 53 20.274 10.419 -7.958 1.00 0.00 H new ATOM 0 HA THR A 53 22.978 11.325 -7.242 1.00 0.00 H new ATOM 0 HB THR A 53 21.805 12.604 -5.336 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.625 13.290 -5.903 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.442 14.615 -6.716 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.926 13.753 -7.187 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.457 13.607 -8.182 1.00 0.00 H new ATOM 670 N GLY A 54 21.904 8.852 -6.345 1.00 0.00 N ATOM 671 CA GLY A 54 21.816 7.731 -5.436 1.00 0.00 C ATOM 672 C GLY A 54 21.054 6.569 -6.040 1.00 0.00 C ATOM 673 O GLY A 54 20.276 6.769 -6.957 1.00 0.00 O ATOM 0 H GLY A 54 21.990 8.601 -7.330 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.820 7.404 -5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.325 8.048 -4.516 1.00 0.00 H new ATOM 677 N PRO A 55 21.278 5.336 -5.537 1.00 0.00 N ATOM 678 CA PRO A 55 20.641 4.105 -6.052 1.00 0.00 C ATOM 679 C PRO A 55 19.139 4.216 -6.312 1.00 0.00 C ATOM 680 O PRO A 55 18.682 3.950 -7.427 1.00 0.00 O ATOM 681 CB PRO A 55 20.912 3.084 -4.952 1.00 0.00 C ATOM 682 CG PRO A 55 22.188 3.533 -4.330 1.00 0.00 C ATOM 683 CD PRO A 55 22.209 5.039 -4.430 1.00 0.00 C ATOM 0 HA PRO A 55 21.048 3.849 -7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 55 20.102 3.062 -4.223 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.002 2.077 -5.359 1.00 0.00 H new ATOM 0 HG2 PRO A 55 22.246 3.213 -3.290 1.00 0.00 H new ATOM 0 HG3 PRO A 55 23.044 3.098 -4.845 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.885 5.505 -3.500 1.00 0.00 H new ATOM 0 HD3 PRO A 55 23.212 5.411 -4.641 1.00 0.00 H new ATOM 691 N ASP A 56 18.378 4.600 -5.303 1.00 0.00 N ATOM 692 CA ASP A 56 16.926 4.681 -5.450 1.00 0.00 C ATOM 693 C ASP A 56 16.536 5.783 -6.415 1.00 0.00 C ATOM 694 O ASP A 56 15.586 5.643 -7.183 1.00 0.00 O ATOM 695 CB ASP A 56 16.244 4.909 -4.105 1.00 0.00 C ATOM 696 CG ASP A 56 14.735 4.873 -4.219 1.00 0.00 C ATOM 697 OD1 ASP A 56 14.178 3.766 -4.381 1.00 0.00 O ATOM 698 OD2 ASP A 56 14.098 5.946 -4.148 1.00 0.00 O ATOM 0 H ASP A 56 18.730 4.859 -4.381 1.00 0.00 H new ATOM 0 HA ASP A 56 16.590 3.725 -5.852 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.572 4.146 -3.399 1.00 0.00 H new ATOM 0 HB3 ASP A 56 16.554 5.873 -3.701 1.00 0.00 H new ATOM 703 N SER A 57 17.288 6.857 -6.396 1.00 0.00 N ATOM 704 CA SER A 57 17.011 7.996 -7.247 1.00 0.00 C ATOM 705 C SER A 57 17.721 7.860 -8.592 1.00 0.00 C ATOM 706 O SER A 57 17.764 8.800 -9.387 1.00 0.00 O ATOM 707 CB SER A 57 17.436 9.276 -6.538 1.00 0.00 C ATOM 708 OG SER A 57 16.787 9.377 -5.280 1.00 0.00 O ATOM 0 H SER A 57 18.105 6.969 -5.795 1.00 0.00 H new ATOM 0 HA SER A 57 15.940 8.036 -7.444 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.517 9.282 -6.399 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.189 10.141 -7.154 1.00 0.00 H new ATOM 0 HG SER A 57 17.068 10.202 -4.832 1.00 0.00 H new ATOM 714 N CYS A 58 18.275 6.688 -8.838 1.00 0.00 N ATOM 715 CA CYS A 58 18.971 6.425 -10.065 1.00 0.00 C ATOM 716 C CYS A 58 18.026 5.881 -11.126 1.00 0.00 C ATOM 717 O CYS A 58 17.215 4.984 -10.859 1.00 0.00 O ATOM 718 CB CYS A 58 20.111 5.449 -9.821 1.00 0.00 C ATOM 719 SG CYS A 58 20.985 4.966 -11.308 1.00 0.00 S ATOM 0 H CYS A 58 18.251 5.900 -8.191 1.00 0.00 H new ATOM 0 HA CYS A 58 19.382 7.366 -10.432 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.819 5.899 -9.125 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.714 4.556 -9.338 1.00 0.00 H new ATOM 0 HG CYS A 58 21.080 5.987 -12.107 1.00 0.00 H new ATOM 724 N LYS A 59 18.135 6.426 -12.327 1.00 0.00 N ATOM 725 CA LYS A 59 17.300 6.007 -13.445 1.00 0.00 C ATOM 726 C LYS A 59 18.097 5.079 -14.348 1.00 0.00 C ATOM 727 O LYS A 59 17.577 4.529 -15.321 1.00 0.00 O ATOM 728 CB LYS A 59 16.873 7.224 -14.269 1.00 0.00 C ATOM 729 CG LYS A 59 16.598 8.479 -13.459 1.00 0.00 C ATOM 730 CD LYS A 59 16.343 9.658 -14.379 1.00 0.00 C ATOM 731 CE LYS A 59 16.327 10.972 -13.623 1.00 0.00 C ATOM 732 NZ LYS A 59 16.092 12.118 -14.535 1.00 0.00 N ATOM 0 H LYS A 59 18.799 7.166 -12.555 1.00 0.00 H new ATOM 0 HA LYS A 59 16.419 5.499 -13.052 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.653 7.443 -14.998 1.00 0.00 H new ATOM 0 HB3 LYS A 59 15.975 6.967 -14.831 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.734 8.320 -12.813 1.00 0.00 H new ATOM 0 HG3 LYS A 59 17.447 8.693 -12.810 1.00 0.00 H new ATOM 0 HD2 LYS A 59 17.114 9.691 -15.149 1.00 0.00 H new ATOM 0 HD3 LYS A 59 15.389 9.521 -14.889 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.548 10.946 -12.861 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.276 11.107 -13.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 16.367 13.001 -14.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.660 11.997 -15.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.084 12.160 -14.787 1.00 0.00 H new ATOM 746 N CYS A 60 19.356 4.923 -14.024 1.00 0.00 N ATOM 747 CA CYS A 60 20.277 4.163 -14.834 1.00 0.00 C ATOM 748 C CYS A 60 20.265 2.690 -14.470 1.00 0.00 C ATOM 749 O CYS A 60 19.963 2.316 -13.326 1.00 0.00 O ATOM 750 CB CYS A 60 21.673 4.728 -14.640 1.00 0.00 C ATOM 751 SG CYS A 60 21.691 6.525 -14.484 1.00 0.00 S ATOM 0 H CYS A 60 19.775 5.323 -13.184 1.00 0.00 H new ATOM 0 HA CYS A 60 19.970 4.244 -15.877 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.117 4.287 -13.747 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.298 4.436 -15.484 1.00 0.00 H new ATOM 0 HG CYS A 60 22.914 6.934 -14.319 1.00 0.00 H new ATOM 756 N GLY A 61 20.596 1.859 -15.441 1.00 0.00 N ATOM 757 CA GLY A 61 20.683 0.441 -15.206 1.00 0.00 C ATOM 758 C GLY A 61 22.008 0.072 -14.587 1.00 0.00 C ATOM 759 O GLY A 61 22.741 0.944 -14.120 1.00 0.00 O ATOM 0 H GLY A 61 20.808 2.147 -16.396 1.00 0.00 H new ATOM 0 HA2 GLY A 61 19.872 0.128 -14.549 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.556 -0.095 -16.147 1.00 0.00 H new ATOM 763 N SER A 62 22.337 -1.196 -14.593 1.00 0.00 N ATOM 764 CA SER A 62 23.578 -1.647 -14.000 1.00 0.00 C ATOM 765 C SER A 62 24.743 -1.453 -14.968 1.00 0.00 C ATOM 766 O SER A 62 25.905 -1.469 -14.571 1.00 0.00 O ATOM 767 CB SER A 62 23.460 -3.115 -13.592 1.00 0.00 C ATOM 768 OG SER A 62 23.113 -3.917 -14.705 1.00 0.00 O ATOM 0 H SER A 62 21.765 -1.936 -15.001 1.00 0.00 H new ATOM 0 HA SER A 62 23.775 -1.049 -13.110 1.00 0.00 H new ATOM 0 HB2 SER A 62 24.405 -3.458 -13.171 1.00 0.00 H new ATOM 0 HB3 SER A 62 22.706 -3.221 -12.812 1.00 0.00 H new ATOM 0 HG SER A 62 22.314 -4.443 -14.493 1.00 0.00 H new ATOM 774 N SER A 63 24.424 -1.264 -16.236 1.00 0.00 N ATOM 775 CA SER A 63 25.435 -1.069 -17.247 1.00 0.00 C ATOM 776 C SER A 63 25.590 0.421 -17.563 1.00 0.00 C ATOM 777 O SER A 63 25.194 0.894 -18.633 1.00 0.00 O ATOM 778 CB SER A 63 25.085 -1.867 -18.515 1.00 0.00 C ATOM 779 OG SER A 63 26.190 -1.941 -19.410 1.00 0.00 O ATOM 0 H SER A 63 23.466 -1.242 -16.586 1.00 0.00 H new ATOM 0 HA SER A 63 26.388 -1.437 -16.867 1.00 0.00 H new ATOM 0 HB2 SER A 63 24.773 -2.874 -18.237 1.00 0.00 H new ATOM 0 HB3 SER A 63 24.239 -1.399 -19.018 1.00 0.00 H new ATOM 0 HG SER A 63 25.934 -2.456 -20.204 1.00 0.00 H new ATOM 785 N CYS A 64 26.120 1.159 -16.607 1.00 0.00 N ATOM 786 CA CYS A 64 26.357 2.571 -16.779 1.00 0.00 C ATOM 787 C CYS A 64 27.699 2.950 -16.174 1.00 0.00 C ATOM 788 O CYS A 64 28.292 2.171 -15.418 1.00 0.00 O ATOM 789 CB CYS A 64 25.243 3.373 -16.123 1.00 0.00 C ATOM 790 SG CYS A 64 25.213 5.124 -16.590 1.00 0.00 S ATOM 0 H CYS A 64 26.396 0.795 -15.695 1.00 0.00 H new ATOM 0 HA CYS A 64 26.372 2.799 -17.845 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.285 2.923 -16.383 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.346 3.299 -15.040 1.00 0.00 H new ATOM 0 HG CYS A 64 24.230 5.718 -15.982 1.00 0.00 H new ATOM 795 N SER A 65 28.167 4.143 -16.492 1.00 0.00 N ATOM 796 CA SER A 65 29.438 4.632 -15.993 1.00 0.00 C ATOM 797 C SER A 65 29.376 4.909 -14.488 1.00 0.00 C ATOM 798 O SER A 65 30.389 4.848 -13.793 1.00 0.00 O ATOM 799 CB SER A 65 29.833 5.890 -16.749 1.00 0.00 C ATOM 800 OG SER A 65 29.811 5.659 -18.148 1.00 0.00 O ATOM 0 H SER A 65 27.678 4.798 -17.102 1.00 0.00 H new ATOM 0 HA SER A 65 30.192 3.862 -16.155 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.150 6.701 -16.498 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.830 6.207 -16.443 1.00 0.00 H new ATOM 0 HG SER A 65 30.066 6.480 -18.619 1.00 0.00 H new ATOM 806 N CYS A 66 28.181 5.201 -13.988 1.00 0.00 N ATOM 807 CA CYS A 66 27.992 5.467 -12.567 1.00 0.00 C ATOM 808 C CYS A 66 27.823 4.152 -11.796 1.00 0.00 C ATOM 809 O CYS A 66 27.527 4.151 -10.600 1.00 0.00 O ATOM 810 CB CYS A 66 26.765 6.349 -12.359 1.00 0.00 C ATOM 811 SG CYS A 66 25.207 5.459 -12.472 1.00 0.00 S ATOM 0 H CYS A 66 27.329 5.260 -14.545 1.00 0.00 H new ATOM 0 HA CYS A 66 28.874 5.985 -12.190 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.832 6.824 -11.380 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.772 7.147 -13.102 1.00 0.00 H new ATOM 0 HG CYS A 66 24.221 6.284 -12.281 1.00 0.00 H new ATOM 816 N LYS A 67 28.007 3.032 -12.489 1.00 0.00 N ATOM 817 CA LYS A 67 27.878 1.716 -11.870 1.00 0.00 C ATOM 818 C LYS A 67 29.193 0.958 -11.960 1.00 0.00 C ATOM 819 O LYS A 67 30.138 1.335 -11.212 1.00 0.00 O ATOM 820 CB LYS A 67 26.763 0.905 -12.545 1.00 0.00 C ATOM 821 CG LYS A 67 25.428 1.633 -12.636 1.00 0.00 C ATOM 822 CD LYS A 67 24.916 2.041 -11.268 1.00 0.00 C ATOM 823 CE LYS A 67 23.679 2.921 -11.376 1.00 0.00 C ATOM 824 NZ LYS A 67 22.472 2.163 -11.765 1.00 0.00 N ATOM 0 H LYS A 67 28.246 3.009 -13.480 1.00 0.00 H new ATOM 0 HA LYS A 67 27.620 1.859 -10.821 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.085 0.633 -13.550 1.00 0.00 H new ATOM 0 HB3 LYS A 67 26.620 -0.024 -11.993 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.539 2.518 -13.262 1.00 0.00 H new ATOM 0 HG3 LYS A 67 24.695 0.989 -13.122 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.681 1.150 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.699 2.576 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 67 23.502 3.411 -10.419 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.861 3.708 -12.108 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 21.637 2.779 -11.693 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 22.572 1.830 -12.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 22.356 1.346 -11.132 1.00 0.00 H new