USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=35 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= -0.638 USER MOD Set 1.2: A 41 CYS SG : rot 180:sc= -2.45! USER MOD Set 1.3: A 46 CYS SG : rot 60:sc= 0.466 USER MOD Set 1.4: A 48 CYS SG : rot -150:sc= -3.26! USER MOD Set 1.5: A 52 CYS SG : rot 28:sc= 0.398 USER MOD Set 1.6: A 58 CYS SG : rot 27:sc= 0.37! USER MOD Set 1.7: A 60 CYS SG : rot 133:sc= -0.256 USER MOD Set 1.8: A 64 CYS SG : rot -150:sc= -0.444! USER MOD Set 1.9: A 66 CYS SG : rot 156:sc= -0.0287 USER MOD Set 1.10: A 67 LYS NZ :NH3+ -179:sc= 2.65 (180deg=1.14) USER MOD Set 2.1: A 25 CYS SG : rot 80:sc= -0.311 USER MOD Set 2.2: A 62 SER OG : rot 140:sc= 0.0644 USER MOD Set 3.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 3.2: A 11 THR OG1 : rot -137:sc= 0.778 USER MOD Set 3.3: A 14 CYS SG : rot -30:sc= 0.00497 USER MOD Set 3.4: A 19 CYS SG : rot 180:sc= -1.87! USER MOD Set 3.5: A 21 CYS SG : rot -160:sc= -0.711 USER MOD Set 3.6: A 27 CYS SG : rot 180:sc= -2.49! USER MOD Set 3.7: A 31 CYS SG : rot -158:sc= -0.509 USER MOD Set 3.8: A 33 CYS SG : rot 180:sc= -1.18 USER MOD Set 3.9: A 36 CYS SG : rot 180:sc= 0.118 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= 1.31 (180deg=1.16) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.891 K(o=-0.89,f=-5.2!) USER MOD Single : A 23 SER OG : rot -36:sc= 0.254 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0.247 X(o=0.25,f=0) USER MOD Single : A 32 THR OG1 : rot -42:sc= 0.232 USER MOD Single : A 37 LYS NZ :NH3+ 178:sc= 1.18 (180deg=1.17) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0216 USER MOD Single : A 40 ASN : amide:sc= 1.22 K(o=1.2,f=-0.0094) USER MOD Single : A 42 THR OG1 : rot 141:sc= 1.18 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 1.26 (180deg=1.11) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 47:sc= 0.552 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 14.521 -7.659 -17.064 1.00 0.00 N ATOM 99 CA LYS A 9 15.952 -7.831 -17.172 1.00 0.00 C ATOM 100 C LYS A 9 16.523 -8.472 -15.920 1.00 0.00 C ATOM 101 O LYS A 9 17.735 -8.627 -15.797 1.00 0.00 O ATOM 102 CB LYS A 9 16.635 -6.502 -17.438 1.00 0.00 C ATOM 103 CG LYS A 9 16.456 -5.977 -18.850 1.00 0.00 C ATOM 104 CD LYS A 9 15.543 -4.774 -18.874 1.00 0.00 C ATOM 105 CE LYS A 9 15.401 -4.211 -20.276 1.00 0.00 C ATOM 106 NZ LYS A 9 14.565 -2.991 -20.283 1.00 0.00 N ATOM 0 HA LYS A 9 16.143 -8.496 -18.014 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.249 -5.762 -16.737 1.00 0.00 H new ATOM 0 HB3 LYS A 9 17.701 -6.608 -17.235 1.00 0.00 H new ATOM 0 HG2 LYS A 9 17.427 -5.708 -19.267 1.00 0.00 H new ATOM 0 HG3 LYS A 9 16.044 -6.762 -19.483 1.00 0.00 H new ATOM 0 HD2 LYS A 9 14.561 -5.054 -18.492 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.936 -4.004 -18.210 1.00 0.00 H new ATOM 0 HE2 LYS A 9 16.387 -3.981 -20.679 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.957 -4.963 -20.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.740 -2.455 -21.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 13.561 -3.258 -20.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 14.805 -2.401 -19.461 1.00 0.00 H new ATOM 120 N CYS A 10 15.646 -8.851 -14.997 1.00 0.00 N ATOM 121 CA CYS A 10 16.079 -9.486 -13.760 1.00 0.00 C ATOM 122 C CYS A 10 16.764 -10.800 -14.028 1.00 0.00 C ATOM 123 O CYS A 10 16.380 -11.549 -14.934 1.00 0.00 O ATOM 124 CB CYS A 10 14.915 -9.703 -12.803 1.00 0.00 C ATOM 125 SG CYS A 10 14.395 -8.222 -11.933 1.00 0.00 S ATOM 0 H CYS A 10 14.637 -8.730 -15.082 1.00 0.00 H new ATOM 0 HA CYS A 10 16.791 -8.806 -13.292 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.068 -10.099 -13.363 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.196 -10.461 -12.072 1.00 0.00 H new ATOM 0 HG CYS A 10 13.400 -8.508 -11.146 1.00 0.00 H new ATOM 130 N THR A 11 17.767 -11.074 -13.245 1.00 0.00 N ATOM 131 CA THR A 11 18.525 -12.282 -13.379 1.00 0.00 C ATOM 132 C THR A 11 17.922 -13.381 -12.523 1.00 0.00 C ATOM 133 O THR A 11 17.060 -13.122 -11.673 1.00 0.00 O ATOM 134 CB THR A 11 19.970 -12.053 -12.927 1.00 0.00 C ATOM 135 OG1 THR A 11 19.997 -11.820 -11.513 1.00 0.00 O ATOM 136 CG2 THR A 11 20.554 -10.859 -13.638 1.00 0.00 C ATOM 0 H THR A 11 18.083 -10.462 -12.492 1.00 0.00 H new ATOM 0 HA THR A 11 18.506 -12.578 -14.428 1.00 0.00 H new ATOM 0 HB THR A 11 20.560 -12.937 -13.168 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.616 -11.086 -11.314 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.582 -10.706 -13.308 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.540 -11.033 -14.714 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.963 -9.973 -13.407 1.00 0.00 H new ATOM 144 N SER A 12 18.380 -14.601 -12.729 1.00 0.00 N ATOM 145 CA SER A 12 17.949 -15.716 -11.913 1.00 0.00 C ATOM 146 C SER A 12 18.573 -15.601 -10.520 1.00 0.00 C ATOM 147 O SER A 12 18.146 -16.256 -9.571 1.00 0.00 O ATOM 148 CB SER A 12 18.346 -17.029 -12.577 1.00 0.00 C ATOM 149 OG SER A 12 17.806 -17.106 -13.887 1.00 0.00 O ATOM 0 H SER A 12 19.052 -14.844 -13.457 1.00 0.00 H new ATOM 0 HA SER A 12 16.864 -15.698 -11.813 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.432 -17.108 -12.620 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.989 -17.868 -11.980 1.00 0.00 H new ATOM 0 HG SER A 12 18.071 -17.954 -14.301 1.00 0.00 H new ATOM 155 N ALA A 13 19.579 -14.745 -10.416 1.00 0.00 N ATOM 156 CA ALA A 13 20.249 -14.482 -9.163 1.00 0.00 C ATOM 157 C ALA A 13 19.408 -13.525 -8.328 1.00 0.00 C ATOM 158 O ALA A 13 19.346 -13.636 -7.102 1.00 0.00 O ATOM 159 CB ALA A 13 21.628 -13.898 -9.429 1.00 0.00 C ATOM 0 H ALA A 13 19.950 -14.215 -11.204 1.00 0.00 H new ATOM 0 HA ALA A 13 20.371 -15.413 -8.609 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.129 -13.701 -8.481 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.217 -14.607 -10.011 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.527 -12.967 -9.986 1.00 0.00 H new ATOM 165 N CYS A 14 18.748 -12.596 -9.008 1.00 0.00 N ATOM 166 CA CYS A 14 17.867 -11.634 -8.361 1.00 0.00 C ATOM 167 C CYS A 14 16.546 -12.316 -7.983 1.00 0.00 C ATOM 168 O CYS A 14 15.773 -11.810 -7.172 1.00 0.00 O ATOM 169 CB CYS A 14 17.614 -10.442 -9.298 1.00 0.00 C ATOM 170 SG CYS A 14 16.741 -9.052 -8.538 1.00 0.00 S ATOM 0 H CYS A 14 18.808 -12.489 -10.021 1.00 0.00 H new ATOM 0 HA CYS A 14 18.341 -11.263 -7.452 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.572 -10.087 -9.678 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.039 -10.788 -10.157 1.00 0.00 H new ATOM 0 HG CYS A 14 15.946 -9.494 -7.609 1.00 0.00 H new ATOM 175 N ARG A 15 16.301 -13.478 -8.583 1.00 0.00 N ATOM 176 CA ARG A 15 15.118 -14.272 -8.273 1.00 0.00 C ATOM 177 C ARG A 15 15.388 -15.174 -7.075 1.00 0.00 C ATOM 178 O ARG A 15 14.546 -15.992 -6.691 1.00 0.00 O ATOM 179 CB ARG A 15 14.697 -15.121 -9.481 1.00 0.00 C ATOM 180 CG ARG A 15 14.117 -14.325 -10.641 1.00 0.00 C ATOM 181 CD ARG A 15 12.870 -13.566 -10.218 1.00 0.00 C ATOM 182 NE ARG A 15 12.182 -12.957 -11.354 1.00 0.00 N ATOM 183 CZ ARG A 15 11.373 -11.897 -11.271 1.00 0.00 C ATOM 184 NH1 ARG A 15 11.150 -11.311 -10.097 1.00 0.00 N ATOM 185 NH2 ARG A 15 10.785 -11.427 -12.361 1.00 0.00 N ATOM 0 H ARG A 15 16.910 -13.891 -9.290 1.00 0.00 H new ATOM 0 HA ARG A 15 14.305 -13.588 -8.030 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.563 -15.678 -9.837 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.959 -15.854 -9.155 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.864 -13.624 -11.014 1.00 0.00 H new ATOM 0 HG3 ARG A 15 13.874 -14.999 -11.463 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.189 -14.246 -9.705 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.144 -12.790 -9.503 1.00 0.00 H new ATOM 0 HE ARG A 15 12.330 -13.370 -12.275 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.598 -11.671 -9.254 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.531 -10.502 -10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.950 -11.874 -13.263 1.00 0.00 H new ATOM 0 HH22 ARG A 15 10.167 -10.618 -12.299 1.00 0.00 H new ATOM 199 N SER A 16 16.557 -15.015 -6.490 1.00 0.00 N ATOM 200 CA SER A 16 16.958 -15.801 -5.352 1.00 0.00 C ATOM 201 C SER A 16 17.089 -14.907 -4.133 1.00 0.00 C ATOM 202 O SER A 16 17.327 -13.704 -4.258 1.00 0.00 O ATOM 203 CB SER A 16 18.284 -16.512 -5.654 1.00 0.00 C ATOM 204 OG SER A 16 18.618 -17.454 -4.646 1.00 0.00 O ATOM 0 H SER A 16 17.254 -14.335 -6.794 1.00 0.00 H new ATOM 0 HA SER A 16 16.201 -16.558 -5.145 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.214 -17.019 -6.616 1.00 0.00 H new ATOM 0 HB3 SER A 16 19.081 -15.774 -5.740 1.00 0.00 H new ATOM 0 HG SER A 16 19.467 -17.888 -4.872 1.00 0.00 H new ATOM 210 N GLU A 17 16.913 -15.492 -2.968 1.00 0.00 N ATOM 211 CA GLU A 17 16.980 -14.763 -1.724 1.00 0.00 C ATOM 212 C GLU A 17 17.890 -15.468 -0.716 1.00 0.00 C ATOM 213 O GLU A 17 17.754 -16.664 -0.479 1.00 0.00 O ATOM 214 CB GLU A 17 15.567 -14.555 -1.166 1.00 0.00 C ATOM 215 CG GLU A 17 14.597 -15.688 -1.496 1.00 0.00 C ATOM 216 CD GLU A 17 14.804 -16.927 -0.656 1.00 0.00 C ATOM 217 OE1 GLU A 17 14.637 -16.852 0.583 1.00 0.00 O ATOM 218 OE2 GLU A 17 15.115 -17.993 -1.228 1.00 0.00 O ATOM 0 H GLU A 17 16.719 -16.487 -2.859 1.00 0.00 H new ATOM 0 HA GLU A 17 17.420 -13.784 -1.914 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.627 -14.446 -0.083 1.00 0.00 H new ATOM 0 HB3 GLU A 17 15.166 -13.621 -1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.576 -15.332 -1.358 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.703 -15.951 -2.548 1.00 0.00 H new ATOM 225 N PRO A 18 18.874 -14.751 -0.154 1.00 0.00 N ATOM 226 CA PRO A 18 19.135 -13.343 -0.481 1.00 0.00 C ATOM 227 C PRO A 18 19.610 -13.169 -1.922 1.00 0.00 C ATOM 228 O PRO A 18 20.004 -14.147 -2.578 1.00 0.00 O ATOM 229 CB PRO A 18 20.248 -12.948 0.492 1.00 0.00 C ATOM 230 CG PRO A 18 20.896 -14.234 0.869 1.00 0.00 C ATOM 231 CD PRO A 18 19.803 -15.260 0.860 1.00 0.00 C ATOM 0 HA PRO A 18 18.237 -12.731 -0.392 1.00 0.00 H new ATOM 0 HB2 PRO A 18 20.960 -12.268 0.024 1.00 0.00 H new ATOM 0 HB3 PRO A 18 19.846 -12.436 1.366 1.00 0.00 H new ATOM 0 HG2 PRO A 18 21.684 -14.496 0.163 1.00 0.00 H new ATOM 0 HG3 PRO A 18 21.359 -14.165 1.853 1.00 0.00 H new ATOM 0 HD2 PRO A 18 20.181 -16.249 0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 18 19.325 -15.348 1.836 1.00 0.00 H new ATOM 239 N CYS A 19 19.564 -11.935 -2.401 1.00 0.00 N ATOM 240 CA CYS A 19 19.949 -11.614 -3.763 1.00 0.00 C ATOM 241 C CYS A 19 21.351 -12.129 -4.073 1.00 0.00 C ATOM 242 O CYS A 19 22.303 -11.870 -3.332 1.00 0.00 O ATOM 243 CB CYS A 19 19.879 -10.106 -3.990 1.00 0.00 C ATOM 244 SG CYS A 19 20.076 -9.604 -5.712 1.00 0.00 S ATOM 0 H CYS A 19 19.258 -11.130 -1.855 1.00 0.00 H new ATOM 0 HA CYS A 19 19.250 -12.108 -4.438 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.920 -9.740 -3.624 1.00 0.00 H new ATOM 0 HB3 CYS A 19 20.653 -9.624 -3.393 1.00 0.00 H new ATOM 0 HG CYS A 19 19.999 -8.309 -5.798 1.00 0.00 H new ATOM 249 N GLN A 20 21.465 -12.863 -5.161 1.00 0.00 N ATOM 250 CA GLN A 20 22.735 -13.433 -5.574 1.00 0.00 C ATOM 251 C GLN A 20 23.385 -12.570 -6.651 1.00 0.00 C ATOM 252 O GLN A 20 24.225 -13.036 -7.416 1.00 0.00 O ATOM 253 CB GLN A 20 22.520 -14.862 -6.088 1.00 0.00 C ATOM 254 CG GLN A 20 22.007 -15.829 -5.029 1.00 0.00 C ATOM 255 CD GLN A 20 23.059 -16.183 -3.990 1.00 0.00 C ATOM 256 OE1 GLN A 20 23.947 -15.386 -3.677 1.00 0.00 O ATOM 257 NE2 GLN A 20 22.970 -17.381 -3.452 1.00 0.00 N ATOM 0 H GLN A 20 20.686 -13.081 -5.782 1.00 0.00 H new ATOM 0 HA GLN A 20 23.404 -13.463 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.812 -14.837 -6.916 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.462 -15.240 -6.485 1.00 0.00 H new ATOM 0 HG2 GLN A 20 21.144 -15.388 -4.529 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.662 -16.742 -5.515 1.00 0.00 H new ATOM 0 HE21 GLN A 20 22.222 -18.013 -3.736 1.00 0.00 H new ATOM 0 HE22 GLN A 20 23.649 -17.677 -2.751 1.00 0.00 H new ATOM 266 N CYS A 21 22.999 -11.308 -6.692 1.00 0.00 N ATOM 267 CA CYS A 21 23.526 -10.361 -7.669 1.00 0.00 C ATOM 268 C CYS A 21 24.669 -9.532 -7.088 1.00 0.00 C ATOM 269 O CYS A 21 24.978 -8.454 -7.598 1.00 0.00 O ATOM 270 CB CYS A 21 22.418 -9.432 -8.123 1.00 0.00 C ATOM 271 SG CYS A 21 21.134 -10.217 -9.099 1.00 0.00 S ATOM 0 H CYS A 21 22.313 -10.907 -6.052 1.00 0.00 H new ATOM 0 HA CYS A 21 23.913 -10.931 -8.514 1.00 0.00 H new ATOM 0 HB2 CYS A 21 21.961 -8.978 -7.244 1.00 0.00 H new ATOM 0 HB3 CYS A 21 22.857 -8.624 -8.708 1.00 0.00 H new ATOM 0 HG CYS A 21 20.489 -9.313 -9.775 1.00 0.00 H new ATOM 276 N GLY A 22 25.307 -10.054 -6.045 1.00 0.00 N ATOM 277 CA GLY A 22 26.396 -9.342 -5.391 1.00 0.00 C ATOM 278 C GLY A 22 27.510 -8.946 -6.346 1.00 0.00 C ATOM 279 O GLY A 22 28.052 -7.843 -6.255 1.00 0.00 O ATOM 0 H GLY A 22 25.089 -10.963 -5.637 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.000 -8.446 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.809 -9.969 -4.601 1.00 0.00 H new ATOM 283 N SER A 23 27.855 -9.837 -7.254 1.00 0.00 N ATOM 284 CA SER A 23 28.898 -9.567 -8.225 1.00 0.00 C ATOM 285 C SER A 23 28.562 -10.212 -9.582 1.00 0.00 C ATOM 286 O SER A 23 29.337 -10.125 -10.533 1.00 0.00 O ATOM 287 CB SER A 23 30.245 -10.082 -7.691 1.00 0.00 C ATOM 288 OG SER A 23 31.329 -9.641 -8.494 1.00 0.00 O ATOM 0 H SER A 23 27.426 -10.759 -7.340 1.00 0.00 H new ATOM 0 HA SER A 23 28.968 -8.490 -8.380 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.387 -9.737 -6.667 1.00 0.00 H new ATOM 0 HB3 SER A 23 30.233 -11.172 -7.662 1.00 0.00 H new ATOM 0 HG SER A 23 31.056 -9.630 -9.435 1.00 0.00 H new ATOM 294 N LYS A 24 27.401 -10.850 -9.665 1.00 0.00 N ATOM 295 CA LYS A 24 26.979 -11.511 -10.901 1.00 0.00 C ATOM 296 C LYS A 24 25.742 -10.839 -11.487 1.00 0.00 C ATOM 297 O LYS A 24 25.022 -11.443 -12.292 1.00 0.00 O ATOM 298 CB LYS A 24 26.655 -12.984 -10.635 1.00 0.00 C ATOM 299 CG LYS A 24 27.800 -13.798 -10.059 1.00 0.00 C ATOM 300 CD LYS A 24 27.373 -15.241 -9.854 1.00 0.00 C ATOM 301 CE LYS A 24 28.440 -16.056 -9.149 1.00 0.00 C ATOM 302 NZ LYS A 24 28.013 -17.465 -8.967 1.00 0.00 N ATOM 0 H LYS A 24 26.735 -10.926 -8.896 1.00 0.00 H new ATOM 0 HA LYS A 24 27.802 -11.433 -11.611 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.810 -13.037 -9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.335 -13.445 -11.570 1.00 0.00 H new ATOM 0 HG2 LYS A 24 28.657 -13.758 -10.731 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.119 -13.368 -9.109 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.453 -15.267 -9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.151 -15.694 -10.820 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.364 -16.026 -9.727 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.657 -15.612 -8.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 28.765 -17.996 -8.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.145 -17.494 -8.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 27.830 -17.895 -9.896 1.00 0.00 H new ATOM 316 N CYS A 25 25.505 -9.591 -11.108 1.00 0.00 N ATOM 317 CA CYS A 25 24.310 -8.891 -11.553 1.00 0.00 C ATOM 318 C CYS A 25 24.311 -8.659 -13.054 1.00 0.00 C ATOM 319 O CYS A 25 25.356 -8.420 -13.666 1.00 0.00 O ATOM 320 CB CYS A 25 24.132 -7.566 -10.836 1.00 0.00 C ATOM 321 SG CYS A 25 22.565 -6.761 -11.231 1.00 0.00 S ATOM 0 H CYS A 25 26.118 -9.048 -10.500 1.00 0.00 H new ATOM 0 HA CYS A 25 23.471 -9.540 -11.303 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.190 -7.730 -9.760 1.00 0.00 H new ATOM 0 HB3 CYS A 25 24.954 -6.901 -11.102 1.00 0.00 H new ATOM 0 HG CYS A 25 21.611 -7.301 -10.532 1.00 0.00 H new ATOM 326 N GLN A 26 23.126 -8.732 -13.631 1.00 0.00 N ATOM 327 CA GLN A 26 22.918 -8.535 -15.056 1.00 0.00 C ATOM 328 C GLN A 26 21.549 -7.893 -15.285 1.00 0.00 C ATOM 329 O GLN A 26 21.030 -7.893 -16.404 1.00 0.00 O ATOM 330 CB GLN A 26 22.988 -9.887 -15.784 1.00 0.00 C ATOM 331 CG GLN A 26 24.353 -10.551 -15.748 1.00 0.00 C ATOM 332 CD GLN A 26 24.272 -12.044 -15.975 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.333 -12.521 -17.110 1.00 0.00 O ATOM 334 NE2 GLN A 26 24.139 -12.794 -14.895 1.00 0.00 N ATOM 0 H GLN A 26 22.268 -8.933 -13.117 1.00 0.00 H new ATOM 0 HA GLN A 26 23.696 -7.880 -15.449 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.257 -10.563 -15.340 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.696 -9.741 -16.824 1.00 0.00 H new ATOM 0 HG2 GLN A 26 24.992 -10.104 -16.510 1.00 0.00 H new ATOM 0 HG3 GLN A 26 24.823 -10.357 -14.784 1.00 0.00 H new ATOM 0 HE21 GLN A 26 24.093 -12.358 -13.974 1.00 0.00 H new ATOM 0 HE22 GLN A 26 24.083 -13.809 -14.982 1.00 0.00 H new ATOM 343 N CYS A 27 20.976 -7.339 -14.211 1.00 0.00 N ATOM 344 CA CYS A 27 19.646 -6.736 -14.265 1.00 0.00 C ATOM 345 C CYS A 27 19.623 -5.461 -15.088 1.00 0.00 C ATOM 346 O CYS A 27 20.666 -4.943 -15.504 1.00 0.00 O ATOM 347 CB CYS A 27 19.107 -6.462 -12.858 1.00 0.00 C ATOM 348 SG CYS A 27 18.656 -7.945 -11.938 1.00 0.00 S ATOM 0 H CYS A 27 21.417 -7.297 -13.292 1.00 0.00 H new ATOM 0 HA CYS A 27 18.998 -7.460 -14.759 1.00 0.00 H new ATOM 0 HB2 CYS A 27 19.860 -5.913 -12.293 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.232 -5.816 -12.935 1.00 0.00 H new ATOM 0 HG CYS A 27 18.214 -7.609 -10.762 1.00 0.00 H new ATOM 353 N GLY A 28 18.426 -4.968 -15.324 1.00 0.00 N ATOM 354 CA GLY A 28 18.246 -3.767 -16.108 1.00 0.00 C ATOM 355 C GLY A 28 17.651 -2.642 -15.288 1.00 0.00 C ATOM 356 O GLY A 28 17.843 -2.588 -14.076 1.00 0.00 O ATOM 0 H GLY A 28 17.560 -5.384 -14.982 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.207 -3.451 -16.514 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.596 -3.981 -16.956 1.00 0.00 H new ATOM 360 N GLU A 29 16.920 -1.744 -15.937 1.00 0.00 N ATOM 361 CA GLU A 29 16.298 -0.631 -15.228 1.00 0.00 C ATOM 362 C GLU A 29 14.970 -1.059 -14.618 1.00 0.00 C ATOM 363 O GLU A 29 14.460 -0.416 -13.701 1.00 0.00 O ATOM 364 CB GLU A 29 16.102 0.600 -16.140 1.00 0.00 C ATOM 365 CG GLU A 29 15.225 0.361 -17.366 1.00 0.00 C ATOM 366 CD GLU A 29 15.957 -0.337 -18.487 1.00 0.00 C ATOM 367 OE1 GLU A 29 16.498 0.355 -19.370 1.00 0.00 O ATOM 368 OE2 GLU A 29 15.997 -1.584 -18.493 1.00 0.00 O ATOM 0 H GLU A 29 16.744 -1.763 -16.942 1.00 0.00 H new ATOM 0 HA GLU A 29 16.977 -0.338 -14.427 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.664 1.405 -15.550 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.080 0.946 -16.474 1.00 0.00 H new ATOM 0 HG2 GLU A 29 14.360 -0.236 -17.077 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.846 1.317 -17.727 1.00 0.00 H new ATOM 375 N GLY A 30 14.430 -2.167 -15.115 1.00 0.00 N ATOM 376 CA GLY A 30 13.173 -2.687 -14.599 1.00 0.00 C ATOM 377 C GLY A 30 13.371 -3.486 -13.324 1.00 0.00 C ATOM 378 O GLY A 30 12.775 -4.551 -13.141 1.00 0.00 O ATOM 0 H GLY A 30 14.841 -2.717 -15.869 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.490 -1.860 -14.406 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.704 -3.318 -15.354 1.00 0.00 H new ATOM 382 N CYS A 31 14.210 -2.972 -12.449 1.00 0.00 N ATOM 383 CA CYS A 31 14.513 -3.624 -11.203 1.00 0.00 C ATOM 384 C CYS A 31 14.307 -2.655 -10.045 1.00 0.00 C ATOM 385 O CYS A 31 14.842 -1.538 -10.043 1.00 0.00 O ATOM 386 CB CYS A 31 15.954 -4.144 -11.213 1.00 0.00 C ATOM 387 SG CYS A 31 16.391 -5.153 -9.782 1.00 0.00 S ATOM 0 H CYS A 31 14.700 -2.088 -12.587 1.00 0.00 H new ATOM 0 HA CYS A 31 13.840 -4.472 -11.075 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.109 -4.732 -12.118 1.00 0.00 H new ATOM 0 HB3 CYS A 31 16.634 -3.294 -11.264 1.00 0.00 H new ATOM 0 HG CYS A 31 17.683 -5.162 -9.636 1.00 0.00 H new ATOM 392 N THR A 32 13.516 -3.070 -9.077 1.00 0.00 N ATOM 393 CA THR A 32 13.245 -2.247 -7.920 1.00 0.00 C ATOM 394 C THR A 32 14.067 -2.738 -6.722 1.00 0.00 C ATOM 395 O THR A 32 13.961 -2.214 -5.608 1.00 0.00 O ATOM 396 CB THR A 32 11.725 -2.247 -7.575 1.00 0.00 C ATOM 397 OG1 THR A 32 11.430 -1.219 -6.623 1.00 0.00 O ATOM 398 CG2 THR A 32 11.286 -3.599 -7.021 1.00 0.00 C ATOM 0 H THR A 32 13.049 -3.977 -9.070 1.00 0.00 H new ATOM 0 HA THR A 32 13.535 -1.222 -8.153 1.00 0.00 H new ATOM 0 HB THR A 32 11.175 -2.055 -8.496 1.00 0.00 H new ATOM 0 HG1 THR A 32 12.129 -1.199 -5.936 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.221 -3.569 -6.789 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.474 -4.375 -7.763 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.848 -3.821 -6.114 1.00 0.00 H new ATOM 406 N CYS A 33 14.912 -3.725 -6.973 1.00 0.00 N ATOM 407 CA CYS A 33 15.724 -4.313 -5.936 1.00 0.00 C ATOM 408 C CYS A 33 16.969 -3.470 -5.687 1.00 0.00 C ATOM 409 O CYS A 33 17.817 -3.323 -6.561 1.00 0.00 O ATOM 410 CB CYS A 33 16.115 -5.735 -6.326 1.00 0.00 C ATOM 411 SG CYS A 33 16.916 -6.670 -5.014 1.00 0.00 S ATOM 0 H CYS A 33 15.049 -4.134 -7.897 1.00 0.00 H new ATOM 0 HA CYS A 33 15.144 -4.346 -5.014 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.221 -6.271 -6.644 1.00 0.00 H new ATOM 0 HB3 CYS A 33 16.784 -5.692 -7.186 1.00 0.00 H new ATOM 0 HG CYS A 33 17.205 -7.862 -5.445 1.00 0.00 H new ATOM 416 N ALA A 34 17.070 -2.918 -4.491 1.00 0.00 N ATOM 417 CA ALA A 34 18.201 -2.074 -4.132 1.00 0.00 C ATOM 418 C ALA A 34 19.399 -2.910 -3.692 1.00 0.00 C ATOM 419 O ALA A 34 20.454 -2.372 -3.363 1.00 0.00 O ATOM 420 CB ALA A 34 17.804 -1.097 -3.035 1.00 0.00 C ATOM 0 H ALA A 34 16.381 -3.038 -3.748 1.00 0.00 H new ATOM 0 HA ALA A 34 18.494 -1.510 -5.018 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.659 -0.473 -2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 34 16.988 -0.466 -3.387 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.480 -1.651 -2.154 1.00 0.00 H new ATOM 426 N ALA A 35 19.229 -4.227 -3.688 1.00 0.00 N ATOM 427 CA ALA A 35 20.298 -5.129 -3.295 1.00 0.00 C ATOM 428 C ALA A 35 21.386 -5.163 -4.351 1.00 0.00 C ATOM 429 O ALA A 35 22.575 -5.154 -4.036 1.00 0.00 O ATOM 430 CB ALA A 35 19.756 -6.526 -3.048 1.00 0.00 C ATOM 0 H ALA A 35 18.360 -4.691 -3.953 1.00 0.00 H new ATOM 0 HA ALA A 35 20.731 -4.758 -2.366 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.572 -7.186 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.013 -6.492 -2.252 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.294 -6.903 -3.960 1.00 0.00 H new ATOM 436 N CYS A 36 20.979 -5.203 -5.598 1.00 0.00 N ATOM 437 CA CYS A 36 21.909 -5.229 -6.701 1.00 0.00 C ATOM 438 C CYS A 36 22.039 -3.857 -7.340 1.00 0.00 C ATOM 439 O CYS A 36 23.140 -3.424 -7.698 1.00 0.00 O ATOM 440 CB CYS A 36 21.455 -6.251 -7.726 1.00 0.00 C ATOM 441 SG CYS A 36 19.705 -6.140 -8.157 1.00 0.00 S ATOM 0 H CYS A 36 19.998 -5.218 -5.875 1.00 0.00 H new ATOM 0 HA CYS A 36 22.891 -5.512 -6.321 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.049 -6.129 -8.632 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.660 -7.250 -7.342 1.00 0.00 H new ATOM 0 HG CYS A 36 19.417 -7.051 -9.039 1.00 0.00 H new ATOM 446 N LYS A 37 20.918 -3.167 -7.462 1.00 0.00 N ATOM 447 CA LYS A 37 20.891 -1.855 -8.075 1.00 0.00 C ATOM 448 C LYS A 37 21.508 -0.806 -7.155 1.00 0.00 C ATOM 449 O LYS A 37 20.870 -0.331 -6.215 1.00 0.00 O ATOM 450 CB LYS A 37 19.459 -1.468 -8.436 1.00 0.00 C ATOM 451 CG LYS A 37 19.337 -0.129 -9.136 1.00 0.00 C ATOM 452 CD LYS A 37 17.886 0.246 -9.345 1.00 0.00 C ATOM 453 CE LYS A 37 17.763 1.591 -10.024 1.00 0.00 C ATOM 454 NZ LYS A 37 16.351 2.016 -10.157 1.00 0.00 N ATOM 0 H LYS A 37 20.009 -3.499 -7.141 1.00 0.00 H new ATOM 0 HA LYS A 37 21.486 -1.896 -8.987 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.036 -2.241 -9.078 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.860 -1.446 -7.526 1.00 0.00 H new ATOM 0 HG2 LYS A 37 19.833 0.641 -8.545 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.847 -0.170 -10.098 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.394 -0.516 -9.949 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.372 0.272 -8.384 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.314 2.338 -9.453 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.222 1.542 -11.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.312 2.958 -10.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 15.838 1.334 -10.752 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 15.910 2.055 -9.216 1.00 0.00 H new ATOM 468 N THR A 38 22.750 -0.466 -7.423 1.00 0.00 N ATOM 469 CA THR A 38 23.457 0.527 -6.645 1.00 0.00 C ATOM 470 C THR A 38 23.769 1.758 -7.510 1.00 0.00 C ATOM 471 O THR A 38 23.402 1.809 -8.688 1.00 0.00 O ATOM 472 CB THR A 38 24.769 -0.062 -6.051 1.00 0.00 C ATOM 473 OG1 THR A 38 25.404 0.898 -5.197 1.00 0.00 O ATOM 474 CG2 THR A 38 25.735 -0.479 -7.156 1.00 0.00 C ATOM 0 H THR A 38 23.297 -0.869 -8.184 1.00 0.00 H new ATOM 0 HA THR A 38 22.816 0.831 -5.818 1.00 0.00 H new ATOM 0 HB THR A 38 24.504 -0.945 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.227 0.514 -4.829 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.643 -0.887 -6.711 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.266 -1.237 -7.783 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.988 0.389 -7.765 1.00 0.00 H new ATOM 482 N CYS A 39 24.431 2.735 -6.920 1.00 0.00 N ATOM 483 CA CYS A 39 24.798 3.966 -7.605 1.00 0.00 C ATOM 484 C CYS A 39 25.879 4.692 -6.817 1.00 0.00 C ATOM 485 O CYS A 39 25.803 4.784 -5.592 1.00 0.00 O ATOM 486 CB CYS A 39 23.568 4.870 -7.772 1.00 0.00 C ATOM 487 SG CYS A 39 23.923 6.509 -8.441 1.00 0.00 S ATOM 0 H CYS A 39 24.732 2.700 -5.946 1.00 0.00 H new ATOM 0 HA CYS A 39 25.184 3.718 -8.594 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.854 4.372 -8.427 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.084 4.985 -6.802 1.00 0.00 H new ATOM 0 HG CYS A 39 22.808 7.106 -8.740 1.00 0.00 H new ATOM 492 N ASN A 40 26.890 5.193 -7.513 1.00 0.00 N ATOM 493 CA ASN A 40 27.982 5.907 -6.853 1.00 0.00 C ATOM 494 C ASN A 40 27.725 7.402 -6.805 1.00 0.00 C ATOM 495 O ASN A 40 28.377 8.127 -6.050 1.00 0.00 O ATOM 496 CB ASN A 40 29.330 5.622 -7.525 1.00 0.00 C ATOM 497 CG ASN A 40 29.870 4.247 -7.183 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.557 4.069 -6.173 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.577 3.273 -8.018 1.00 0.00 N ATOM 0 H ASN A 40 26.980 5.121 -8.526 1.00 0.00 H new ATOM 0 HA ASN A 40 28.026 5.536 -5.829 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.218 5.706 -8.606 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.052 6.379 -7.219 1.00 0.00 H new ATOM 0 HD21 ASN A 40 29.921 2.329 -7.841 1.00 0.00 H new ATOM 0 HD22 ASN A 40 29.006 3.462 -8.842 1.00 0.00 H new ATOM 506 N CYS A 41 26.786 7.869 -7.610 1.00 0.00 N ATOM 507 CA CYS A 41 26.436 9.276 -7.618 1.00 0.00 C ATOM 508 C CYS A 41 25.739 9.675 -6.333 1.00 0.00 C ATOM 509 O CYS A 41 25.018 8.880 -5.723 1.00 0.00 O ATOM 510 CB CYS A 41 25.589 9.616 -8.826 1.00 0.00 C ATOM 511 SG CYS A 41 26.471 9.402 -10.378 1.00 0.00 S ATOM 0 H CYS A 41 26.254 7.295 -8.264 1.00 0.00 H new ATOM 0 HA CYS A 41 27.361 9.849 -7.684 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.699 8.986 -8.829 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.248 10.648 -8.746 1.00 0.00 H new ATOM 0 HG CYS A 41 25.687 9.708 -11.369 1.00 0.00 H new ATOM 516 N THR A 42 25.962 10.900 -5.926 1.00 0.00 N ATOM 517 CA THR A 42 25.447 11.397 -4.680 1.00 0.00 C ATOM 518 C THR A 42 24.595 12.643 -4.886 1.00 0.00 C ATOM 519 O THR A 42 24.450 13.127 -6.018 1.00 0.00 O ATOM 520 CB THR A 42 26.612 11.724 -3.749 1.00 0.00 C ATOM 521 OG1 THR A 42 27.599 12.471 -4.479 1.00 0.00 O ATOM 522 CG2 THR A 42 27.238 10.453 -3.226 1.00 0.00 C ATOM 0 H THR A 42 26.508 11.581 -6.454 1.00 0.00 H new ATOM 0 HA THR A 42 24.815 10.626 -4.239 1.00 0.00 H new ATOM 0 HB THR A 42 26.243 12.309 -2.907 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.969 13.173 -3.904 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.067 10.702 -2.564 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.492 9.880 -2.675 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.607 9.858 -4.062 1.00 0.00 H new ATOM 530 N SER A 43 24.060 13.175 -3.786 1.00 0.00 N ATOM 531 CA SER A 43 23.204 14.359 -3.815 1.00 0.00 C ATOM 532 C SER A 43 23.974 15.611 -4.254 1.00 0.00 C ATOM 533 O SER A 43 23.385 16.677 -4.425 1.00 0.00 O ATOM 534 CB SER A 43 22.581 14.584 -2.438 1.00 0.00 C ATOM 535 OG SER A 43 21.898 13.420 -1.992 1.00 0.00 O ATOM 0 H SER A 43 24.209 12.796 -2.851 1.00 0.00 H new ATOM 0 HA SER A 43 22.418 14.182 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.359 14.850 -1.722 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.887 15.423 -2.482 1.00 0.00 H new ATOM 0 HG SER A 43 21.509 13.587 -1.108 1.00 0.00 H new ATOM 541 N ASP A 44 25.289 15.471 -4.432 1.00 0.00 N ATOM 542 CA ASP A 44 26.127 16.577 -4.891 1.00 0.00 C ATOM 543 C ASP A 44 25.642 17.078 -6.240 1.00 0.00 C ATOM 544 O ASP A 44 25.691 18.274 -6.524 1.00 0.00 O ATOM 545 CB ASP A 44 27.597 16.151 -4.990 1.00 0.00 C ATOM 546 CG ASP A 44 28.203 15.815 -3.645 1.00 0.00 C ATOM 547 OD1 ASP A 44 28.789 16.709 -3.007 1.00 0.00 O ATOM 548 OD2 ASP A 44 28.101 14.646 -3.220 1.00 0.00 O ATOM 0 H ASP A 44 25.796 14.602 -4.265 1.00 0.00 H new ATOM 0 HA ASP A 44 26.052 17.383 -4.161 1.00 0.00 H new ATOM 0 HB2 ASP A 44 27.676 15.284 -5.645 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.172 16.953 -5.452 1.00 0.00 H new ATOM 553 N GLY A 45 25.163 16.159 -7.067 1.00 0.00 N ATOM 554 CA GLY A 45 24.629 16.546 -8.359 1.00 0.00 C ATOM 555 C GLY A 45 25.063 15.631 -9.479 1.00 0.00 C ATOM 556 O GLY A 45 25.551 16.103 -10.512 1.00 0.00 O ATOM 0 H GLY A 45 25.134 15.159 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 45 23.540 16.555 -8.307 1.00 0.00 H new ATOM 0 HA3 GLY A 45 24.946 17.564 -8.586 1.00 0.00 H new ATOM 560 N CYS A 46 24.887 14.317 -9.274 1.00 0.00 N ATOM 561 CA CYS A 46 25.244 13.302 -10.281 1.00 0.00 C ATOM 562 C CYS A 46 26.770 13.252 -10.505 1.00 0.00 C ATOM 563 O CYS A 46 27.511 14.127 -10.038 1.00 0.00 O ATOM 564 CB CYS A 46 24.487 13.575 -11.603 1.00 0.00 C ATOM 565 SG CYS A 46 24.714 12.330 -12.909 1.00 0.00 S ATOM 0 H CYS A 46 24.497 13.929 -8.415 1.00 0.00 H new ATOM 0 HA CYS A 46 24.941 12.323 -9.909 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.423 13.654 -11.382 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.805 14.543 -11.990 1.00 0.00 H new ATOM 0 HG CYS A 46 24.302 11.173 -12.482 1.00 0.00 H new ATOM 570 N LYS A 47 27.235 12.208 -11.174 1.00 0.00 N ATOM 571 CA LYS A 47 28.659 12.045 -11.461 1.00 0.00 C ATOM 572 C LYS A 47 28.870 11.505 -12.871 1.00 0.00 C ATOM 573 O LYS A 47 29.699 12.020 -13.625 1.00 0.00 O ATOM 574 CB LYS A 47 29.328 11.102 -10.440 1.00 0.00 C ATOM 575 CG LYS A 47 29.288 11.598 -8.999 1.00 0.00 C ATOM 576 CD LYS A 47 29.897 10.580 -8.045 1.00 0.00 C ATOM 577 CE LYS A 47 29.809 11.049 -6.599 1.00 0.00 C ATOM 578 NZ LYS A 47 30.324 10.029 -5.649 1.00 0.00 N ATOM 0 H LYS A 47 26.647 11.455 -11.531 1.00 0.00 H new ATOM 0 HA LYS A 47 29.122 13.029 -11.384 1.00 0.00 H new ATOM 0 HB2 LYS A 47 28.840 10.129 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.368 10.952 -10.730 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.829 12.541 -8.922 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.256 11.798 -8.710 1.00 0.00 H new ATOM 0 HD2 LYS A 47 29.381 9.626 -8.151 1.00 0.00 H new ATOM 0 HD3 LYS A 47 30.940 10.409 -8.311 1.00 0.00 H new ATOM 0 HE2 LYS A 47 30.377 11.972 -6.482 1.00 0.00 H new ATOM 0 HE3 LYS A 47 28.772 11.280 -6.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 30.453 10.461 -4.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 29.644 9.245 -5.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 31.237 9.666 -5.991 1.00 0.00 H new ATOM 592 N CYS A 48 28.112 10.476 -13.226 1.00 0.00 N ATOM 593 CA CYS A 48 28.248 9.837 -14.534 1.00 0.00 C ATOM 594 C CYS A 48 27.664 10.711 -15.648 1.00 0.00 C ATOM 595 O CYS A 48 28.179 10.732 -16.770 1.00 0.00 O ATOM 596 CB CYS A 48 27.576 8.462 -14.529 1.00 0.00 C ATOM 597 SG CYS A 48 25.775 8.512 -14.425 1.00 0.00 S ATOM 0 H CYS A 48 27.396 10.064 -12.628 1.00 0.00 H new ATOM 0 HA CYS A 48 29.312 9.710 -14.733 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.861 7.929 -15.436 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.960 7.886 -13.687 1.00 0.00 H new ATOM 0 HG CYS A 48 25.346 7.448 -13.814 1.00 0.00 H new ATOM 602 N GLY A 49 26.596 11.429 -15.336 1.00 0.00 N ATOM 603 CA GLY A 49 25.979 12.295 -16.320 1.00 0.00 C ATOM 604 C GLY A 49 24.565 11.873 -16.684 1.00 0.00 C ATOM 605 O GLY A 49 24.068 12.216 -17.755 1.00 0.00 O ATOM 0 H GLY A 49 26.146 11.428 -14.421 1.00 0.00 H new ATOM 0 HA2 GLY A 49 25.960 13.315 -15.936 1.00 0.00 H new ATOM 0 HA3 GLY A 49 26.592 12.305 -17.221 1.00 0.00 H new ATOM 609 N LYS A 50 23.919 11.118 -15.806 1.00 0.00 N ATOM 610 CA LYS A 50 22.544 10.679 -16.044 1.00 0.00 C ATOM 611 C LYS A 50 21.578 11.437 -15.139 1.00 0.00 C ATOM 612 O LYS A 50 20.381 11.130 -15.092 1.00 0.00 O ATOM 613 CB LYS A 50 22.408 9.175 -15.808 1.00 0.00 C ATOM 614 CG LYS A 50 23.356 8.323 -16.640 1.00 0.00 C ATOM 615 CD LYS A 50 23.119 8.499 -18.125 1.00 0.00 C ATOM 616 CE LYS A 50 24.113 7.686 -18.934 1.00 0.00 C ATOM 617 NZ LYS A 50 23.888 7.828 -20.392 1.00 0.00 N ATOM 0 H LYS A 50 24.320 10.796 -14.925 1.00 0.00 H new ATOM 0 HA LYS A 50 22.295 10.893 -17.084 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.583 8.967 -14.752 1.00 0.00 H new ATOM 0 HB3 LYS A 50 21.383 8.876 -16.026 1.00 0.00 H new ATOM 0 HG2 LYS A 50 24.386 8.589 -16.403 1.00 0.00 H new ATOM 0 HG3 LYS A 50 23.229 7.274 -16.374 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.104 8.191 -18.374 1.00 0.00 H new ATOM 0 HD3 LYS A 50 23.206 9.553 -18.388 1.00 0.00 H new ATOM 0 HE2 LYS A 50 25.126 8.005 -18.690 1.00 0.00 H new ATOM 0 HE3 LYS A 50 24.034 6.635 -18.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.587 7.257 -20.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.930 7.500 -20.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.988 8.827 -20.663 1.00 0.00 H new ATOM 631 N GLU A 51 22.122 12.424 -14.422 1.00 0.00 N ATOM 632 CA GLU A 51 21.367 13.278 -13.495 1.00 0.00 C ATOM 633 C GLU A 51 20.762 12.458 -12.345 1.00 0.00 C ATOM 634 O GLU A 51 19.762 12.846 -11.740 1.00 0.00 O ATOM 635 CB GLU A 51 20.283 14.076 -14.234 1.00 0.00 C ATOM 636 CG GLU A 51 19.778 15.284 -13.454 1.00 0.00 C ATOM 637 CD GLU A 51 18.727 16.064 -14.197 1.00 0.00 C ATOM 638 OE1 GLU A 51 17.532 15.910 -13.877 1.00 0.00 O ATOM 639 OE2 GLU A 51 19.088 16.843 -15.104 1.00 0.00 O ATOM 0 H GLU A 51 23.114 12.657 -14.468 1.00 0.00 H new ATOM 0 HA GLU A 51 22.068 13.990 -13.060 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.680 14.412 -15.192 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.443 13.417 -14.451 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.369 14.949 -12.501 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.618 15.941 -13.227 1.00 0.00 H new ATOM 646 N CYS A 52 21.388 11.345 -12.033 1.00 0.00 N ATOM 647 CA CYS A 52 20.923 10.494 -10.963 1.00 0.00 C ATOM 648 C CYS A 52 21.669 10.800 -9.682 1.00 0.00 C ATOM 649 O CYS A 52 22.814 11.263 -9.711 1.00 0.00 O ATOM 650 CB CYS A 52 21.108 9.034 -11.335 1.00 0.00 C ATOM 651 SG CYS A 52 22.775 8.629 -11.869 1.00 0.00 S ATOM 0 H CYS A 52 22.225 11.008 -12.509 1.00 0.00 H new ATOM 0 HA CYS A 52 19.862 10.687 -10.805 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.851 8.414 -10.476 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.409 8.780 -12.132 1.00 0.00 H new ATOM 0 HG CYS A 52 23.620 9.441 -11.307 1.00 0.00 H new ATOM 656 N THR A 53 21.023 10.566 -8.564 1.00 0.00 N ATOM 657 CA THR A 53 21.641 10.795 -7.281 1.00 0.00 C ATOM 658 C THR A 53 21.303 9.657 -6.323 1.00 0.00 C ATOM 659 O THR A 53 20.374 9.761 -5.514 1.00 0.00 O ATOM 660 CB THR A 53 21.211 12.153 -6.665 1.00 0.00 C ATOM 661 OG1 THR A 53 19.781 12.213 -6.551 1.00 0.00 O ATOM 662 CG2 THR A 53 21.698 13.325 -7.513 1.00 0.00 C ATOM 0 H THR A 53 20.066 10.216 -8.518 1.00 0.00 H new ATOM 0 HA THR A 53 22.719 10.830 -7.438 1.00 0.00 H new ATOM 0 HB THR A 53 21.664 12.227 -5.676 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.450 11.383 -6.149 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.381 14.262 -7.055 1.00 0.00 H new ATOM 0 HG22 THR A 53 22.786 13.302 -7.575 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.275 13.250 -8.515 1.00 0.00 H new ATOM 670 N GLY A 54 22.027 8.560 -6.448 1.00 0.00 N ATOM 671 CA GLY A 54 21.781 7.419 -5.601 1.00 0.00 C ATOM 672 C GLY A 54 20.742 6.489 -6.200 1.00 0.00 C ATOM 673 O GLY A 54 19.965 6.907 -7.059 1.00 0.00 O ATOM 0 H GLY A 54 22.782 8.440 -7.123 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.712 6.873 -5.446 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.444 7.759 -4.622 1.00 0.00 H new ATOM 677 N PRO A 55 20.694 5.216 -5.759 1.00 0.00 N ATOM 678 CA PRO A 55 19.741 4.221 -6.287 1.00 0.00 C ATOM 679 C PRO A 55 18.281 4.641 -6.100 1.00 0.00 C ATOM 680 O PRO A 55 17.391 4.164 -6.813 1.00 0.00 O ATOM 681 CB PRO A 55 20.048 2.950 -5.477 1.00 0.00 C ATOM 682 CG PRO A 55 20.801 3.425 -4.277 1.00 0.00 C ATOM 683 CD PRO A 55 21.560 4.642 -4.713 1.00 0.00 C ATOM 0 HA PRO A 55 19.857 4.090 -7.363 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.131 2.435 -5.189 1.00 0.00 H new ATOM 0 HB3 PRO A 55 20.640 2.244 -6.060 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.120 3.663 -3.460 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.479 2.653 -3.913 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.713 5.339 -3.889 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.546 4.385 -5.101 1.00 0.00 H new ATOM 691 N ASP A 56 18.046 5.544 -5.153 1.00 0.00 N ATOM 692 CA ASP A 56 16.705 6.062 -4.885 1.00 0.00 C ATOM 693 C ASP A 56 16.164 6.813 -6.090 1.00 0.00 C ATOM 694 O ASP A 56 14.957 6.846 -6.322 1.00 0.00 O ATOM 695 CB ASP A 56 16.716 6.983 -3.666 1.00 0.00 C ATOM 696 CG ASP A 56 16.877 6.231 -2.367 1.00 0.00 C ATOM 697 OD1 ASP A 56 17.993 5.759 -2.080 1.00 0.00 O ATOM 698 OD2 ASP A 56 15.890 6.122 -1.618 1.00 0.00 O ATOM 0 H ASP A 56 18.772 5.936 -4.553 1.00 0.00 H new ATOM 0 HA ASP A 56 16.055 5.212 -4.681 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.528 7.703 -3.767 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.787 7.553 -3.638 1.00 0.00 H new ATOM 703 N SER A 57 17.060 7.407 -6.851 1.00 0.00 N ATOM 704 CA SER A 57 16.687 8.127 -8.042 1.00 0.00 C ATOM 705 C SER A 57 17.700 7.839 -9.143 1.00 0.00 C ATOM 706 O SER A 57 18.438 8.723 -9.588 1.00 0.00 O ATOM 707 CB SER A 57 16.595 9.632 -7.760 1.00 0.00 C ATOM 708 OG SER A 57 16.037 10.326 -8.861 1.00 0.00 O ATOM 0 H SER A 57 18.062 7.402 -6.659 1.00 0.00 H new ATOM 0 HA SER A 57 15.702 7.794 -8.370 1.00 0.00 H new ATOM 0 HB2 SER A 57 15.985 9.802 -6.873 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.588 10.026 -7.544 1.00 0.00 H new ATOM 0 HG SER A 57 15.988 11.283 -8.654 1.00 0.00 H new ATOM 714 N CYS A 58 17.756 6.584 -9.549 1.00 0.00 N ATOM 715 CA CYS A 58 18.675 6.159 -10.577 1.00 0.00 C ATOM 716 C CYS A 58 17.955 5.288 -11.602 1.00 0.00 C ATOM 717 O CYS A 58 17.209 4.379 -11.239 1.00 0.00 O ATOM 718 CB CYS A 58 19.836 5.387 -9.938 1.00 0.00 C ATOM 719 SG CYS A 58 21.113 4.845 -11.090 1.00 0.00 S ATOM 0 H CYS A 58 17.168 5.839 -9.176 1.00 0.00 H new ATOM 0 HA CYS A 58 19.070 7.035 -11.091 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.297 6.017 -9.177 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.434 4.513 -9.427 1.00 0.00 H new ATOM 0 HG CYS A 58 21.147 5.650 -12.110 1.00 0.00 H new ATOM 724 N LYS A 59 18.159 5.586 -12.873 1.00 0.00 N ATOM 725 CA LYS A 59 17.553 4.815 -13.958 1.00 0.00 C ATOM 726 C LYS A 59 18.623 4.034 -14.701 1.00 0.00 C ATOM 727 O LYS A 59 18.330 3.264 -15.617 1.00 0.00 O ATOM 728 CB LYS A 59 16.835 5.749 -14.943 1.00 0.00 C ATOM 729 CG LYS A 59 15.673 6.525 -14.346 1.00 0.00 C ATOM 730 CD LYS A 59 14.548 5.602 -13.919 1.00 0.00 C ATOM 731 CE LYS A 59 13.337 6.390 -13.455 1.00 0.00 C ATOM 732 NZ LYS A 59 12.212 5.503 -13.084 1.00 0.00 N ATOM 0 H LYS A 59 18.743 6.361 -13.186 1.00 0.00 H new ATOM 0 HA LYS A 59 16.829 4.124 -13.526 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.559 6.457 -15.345 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.467 5.158 -15.782 1.00 0.00 H new ATOM 0 HG2 LYS A 59 16.021 7.098 -13.487 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.299 7.242 -15.077 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.268 4.957 -14.752 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.893 4.953 -13.114 1.00 0.00 H new ATOM 0 HE2 LYS A 59 13.611 7.007 -12.599 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.019 7.068 -14.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.404 6.079 -12.773 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 11.933 4.932 -13.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 12.507 4.873 -12.311 1.00 0.00 H new ATOM 746 N CYS A 60 19.856 4.239 -14.294 1.00 0.00 N ATOM 747 CA CYS A 60 21.001 3.629 -14.930 1.00 0.00 C ATOM 748 C CYS A 60 21.108 2.150 -14.581 1.00 0.00 C ATOM 749 O CYS A 60 20.904 1.756 -13.425 1.00 0.00 O ATOM 750 CB CYS A 60 22.251 4.361 -14.482 1.00 0.00 C ATOM 751 SG CYS A 60 22.009 6.143 -14.321 1.00 0.00 S ATOM 0 H CYS A 60 20.094 4.840 -13.505 1.00 0.00 H new ATOM 0 HA CYS A 60 20.886 3.703 -16.011 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.578 3.957 -13.524 1.00 0.00 H new ATOM 0 HB3 CYS A 60 23.051 4.172 -15.197 1.00 0.00 H new ATOM 0 HG CYS A 60 22.496 6.546 -13.185 1.00 0.00 H new ATOM 756 N GLY A 61 21.428 1.338 -15.581 1.00 0.00 N ATOM 757 CA GLY A 61 21.571 -0.087 -15.370 1.00 0.00 C ATOM 758 C GLY A 61 22.854 -0.435 -14.638 1.00 0.00 C ATOM 759 O GLY A 61 23.739 0.412 -14.483 1.00 0.00 O ATOM 0 H GLY A 61 21.592 1.645 -16.540 1.00 0.00 H new ATOM 0 HA2 GLY A 61 20.718 -0.455 -14.799 1.00 0.00 H new ATOM 0 HA3 GLY A 61 21.554 -0.598 -16.333 1.00 0.00 H new ATOM 763 N SER A 62 22.967 -1.684 -14.219 1.00 0.00 N ATOM 764 CA SER A 62 24.119 -2.165 -13.459 1.00 0.00 C ATOM 765 C SER A 62 25.424 -2.125 -14.276 1.00 0.00 C ATOM 766 O SER A 62 26.515 -2.263 -13.722 1.00 0.00 O ATOM 767 CB SER A 62 23.843 -3.583 -12.964 1.00 0.00 C ATOM 768 OG SER A 62 22.601 -3.634 -12.277 1.00 0.00 O ATOM 0 H SER A 62 22.262 -2.400 -14.395 1.00 0.00 H new ATOM 0 HA SER A 62 24.261 -1.495 -12.611 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.828 -4.273 -13.808 1.00 0.00 H new ATOM 0 HB3 SER A 62 24.646 -3.907 -12.302 1.00 0.00 H new ATOM 0 HG SER A 62 22.130 -4.461 -12.513 1.00 0.00 H new ATOM 774 N SER A 63 25.309 -1.933 -15.580 1.00 0.00 N ATOM 775 CA SER A 63 26.480 -1.862 -16.446 1.00 0.00 C ATOM 776 C SER A 63 26.827 -0.411 -16.811 1.00 0.00 C ATOM 777 O SER A 63 27.569 -0.164 -17.760 1.00 0.00 O ATOM 778 CB SER A 63 26.244 -2.679 -17.718 1.00 0.00 C ATOM 779 OG SER A 63 26.036 -4.052 -17.420 1.00 0.00 O ATOM 0 H SER A 63 24.418 -1.823 -16.064 1.00 0.00 H new ATOM 0 HA SER A 63 27.324 -2.280 -15.898 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.378 -2.285 -18.250 1.00 0.00 H new ATOM 0 HB3 SER A 63 27.101 -2.575 -18.383 1.00 0.00 H new ATOM 0 HG SER A 63 25.886 -4.548 -18.252 1.00 0.00 H new ATOM 785 N CYS A 64 26.301 0.543 -16.050 1.00 0.00 N ATOM 786 CA CYS A 64 26.565 1.951 -16.322 1.00 0.00 C ATOM 787 C CYS A 64 27.895 2.399 -15.705 1.00 0.00 C ATOM 788 O CYS A 64 28.521 1.661 -14.942 1.00 0.00 O ATOM 789 CB CYS A 64 25.419 2.830 -15.815 1.00 0.00 C ATOM 790 SG CYS A 64 25.544 4.571 -16.308 1.00 0.00 S ATOM 0 H CYS A 64 25.695 0.370 -15.248 1.00 0.00 H new ATOM 0 HA CYS A 64 26.638 2.067 -17.403 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.476 2.426 -16.184 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.386 2.773 -14.727 1.00 0.00 H new ATOM 0 HG CYS A 64 24.986 5.319 -15.403 1.00 0.00 H new ATOM 795 N SER A 65 28.297 3.616 -16.028 1.00 0.00 N ATOM 796 CA SER A 65 29.557 4.185 -15.577 1.00 0.00 C ATOM 797 C SER A 65 29.528 4.553 -14.084 1.00 0.00 C ATOM 798 O SER A 65 30.573 4.695 -13.456 1.00 0.00 O ATOM 799 CB SER A 65 29.872 5.422 -16.411 1.00 0.00 C ATOM 800 OG SER A 65 29.773 5.134 -17.801 1.00 0.00 O ATOM 0 H SER A 65 27.752 4.245 -16.618 1.00 0.00 H new ATOM 0 HA SER A 65 30.333 3.431 -15.707 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.183 6.226 -16.152 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.876 5.776 -16.179 1.00 0.00 H new ATOM 0 HG SER A 65 29.977 5.941 -18.318 1.00 0.00 H new ATOM 806 N CYS A 66 28.338 4.713 -13.528 1.00 0.00 N ATOM 807 CA CYS A 66 28.198 5.065 -12.115 1.00 0.00 C ATOM 808 C CYS A 66 28.121 3.810 -11.242 1.00 0.00 C ATOM 809 O CYS A 66 27.794 3.884 -10.052 1.00 0.00 O ATOM 810 CB CYS A 66 26.946 5.912 -11.913 1.00 0.00 C ATOM 811 SG CYS A 66 25.413 5.015 -12.186 1.00 0.00 S ATOM 0 H CYS A 66 27.455 4.606 -14.027 1.00 0.00 H new ATOM 0 HA CYS A 66 29.077 5.637 -11.817 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.948 6.310 -10.898 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.983 6.765 -12.590 1.00 0.00 H new ATOM 0 HG CYS A 66 24.450 5.593 -11.532 1.00 0.00 H new ATOM 816 N LYS A 67 28.423 2.655 -11.830 1.00 0.00 N ATOM 817 CA LYS A 67 28.367 1.396 -11.095 1.00 0.00 C ATOM 818 C LYS A 67 29.775 0.859 -10.845 1.00 0.00 C ATOM 819 O LYS A 67 30.359 0.264 -11.802 1.00 0.00 O ATOM 820 CB LYS A 67 27.540 0.351 -11.858 1.00 0.00 C ATOM 821 CG LYS A 67 26.219 0.872 -12.415 1.00 0.00 C ATOM 822 CD LYS A 67 25.370 1.546 -11.351 1.00 0.00 C ATOM 823 CE LYS A 67 24.055 2.043 -11.933 1.00 0.00 C ATOM 824 NZ LYS A 67 23.414 3.055 -11.065 1.00 0.00 N ATOM 0 H LYS A 67 28.707 2.565 -12.806 1.00 0.00 H new ATOM 0 HA LYS A 67 27.884 1.590 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS A 67 28.139 -0.037 -12.682 1.00 0.00 H new ATOM 0 HB3 LYS A 67 27.334 -0.487 -11.192 1.00 0.00 H new ATOM 0 HG2 LYS A 67 26.420 1.580 -13.218 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.660 0.045 -12.852 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.171 0.844 -10.542 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.919 2.383 -10.919 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.234 2.472 -12.919 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.377 1.200 -12.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.513 3.355 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 23.235 2.644 -10.126 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.042 3.878 -10.969 1.00 0.00 H new