USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=36 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 -92:sc= 0.37 USER MOD Set 1.2: A 41 CYS SG : rot -173:sc= 0.699 USER MOD Set 1.3: A 46 CYS SG : rot 82:sc= 1.19 USER MOD Set 1.4: A 48 CYS SG : rot 180:sc= -0.348 USER MOD Set 1.5: A 52 CYS SG : rot 180:sc= -0.169 USER MOD Set 1.6: A 58 CYS SG : rot 37:sc= 0.91 USER MOD Set 1.7: A 60 CYS SG : rot 180:sc= -2.89! USER MOD Set 1.8: A 64 CYS SG : rot 180:sc= -0.384 USER MOD Set 1.9: A 66 CYS SG : rot 180:sc= -1.52! USER MOD Set 1.10: A 67 LYS NZ :NH3+ -174:sc= -3.03! (180deg=-2.27!) USER MOD Set 2.1: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 57 SER OG : rot -160:sc= 0.659 USER MOD Set 3.1: A 25 CYS SG : rot -150:sc= -1.11 USER MOD Set 3.2: A 27 CYS SG : rot 180:sc= -1.66 USER MOD Set 3.3: A 36 CYS SG : rot 180:sc= 0.059 USER MOD Set 4.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 4.2: A 11 THR OG1 : rot -79:sc= 0.569 USER MOD Set 4.3: A 14 CYS SG : rot -21:sc= 0.0728 USER MOD Set 4.4: A 19 CYS SG : rot -50:sc= -0.41 USER MOD Set 4.5: A 21 CYS SG : rot -83:sc= -2.08 USER MOD Set 4.6: A 31 CYS SG : rot 180:sc= 0 USER MOD Set 4.7: A 33 CYS SG : rot 180:sc= -1.07 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.0397 K(o=-0.04,f=-0.7) USER MOD Single : A 23 SER OG : rot 180:sc= 0.013 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 THR OG1 : rot -43:sc= 0.886 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 1.38 (180deg=0.873) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0894 USER MOD Single : A 40 ASN : amide:sc= 0.922 K(o=0.92,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0.0199 USER MOD Single : A 47 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0758) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= -0.0245 (180deg=-0.226) USER MOD Single : A 59 LYS NZ :NH3+ 159:sc= -0.102 (180deg=-0.568) USER MOD Single : A 62 SER OG : rot 91:sc= 1.12 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 14.825 -8.826 -17.351 1.00 0.00 N ATOM 99 CA LYS A 9 16.052 -8.036 -17.276 1.00 0.00 C ATOM 100 C LYS A 9 16.896 -8.491 -16.117 1.00 0.00 C ATOM 101 O LYS A 9 18.068 -8.138 -16.008 1.00 0.00 O ATOM 102 CB LYS A 9 15.767 -6.557 -17.102 1.00 0.00 C ATOM 103 CG LYS A 9 15.263 -5.831 -18.349 1.00 0.00 C ATOM 104 CD LYS A 9 13.762 -6.006 -18.540 1.00 0.00 C ATOM 105 CE LYS A 9 13.250 -5.190 -19.721 1.00 0.00 C ATOM 106 NZ LYS A 9 11.768 -5.242 -19.831 1.00 0.00 N ATOM 0 HA LYS A 9 16.579 -8.186 -18.218 1.00 0.00 H new ATOM 0 HB2 LYS A 9 15.027 -6.438 -16.310 1.00 0.00 H new ATOM 0 HB3 LYS A 9 16.679 -6.067 -16.762 1.00 0.00 H new ATOM 0 HG2 LYS A 9 15.498 -4.769 -18.271 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.787 -6.210 -19.226 1.00 0.00 H new ATOM 0 HD2 LYS A 9 13.535 -7.060 -18.699 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.241 -5.701 -17.633 1.00 0.00 H new ATOM 0 HE2 LYS A 9 13.570 -4.154 -19.612 1.00 0.00 H new ATOM 0 HE3 LYS A 9 13.696 -5.566 -20.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 11.460 -4.675 -20.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 11.464 -6.228 -19.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 11.342 -4.860 -18.963 1.00 0.00 H new ATOM 120 N CYS A 10 16.294 -9.261 -15.251 1.00 0.00 N ATOM 121 CA CYS A 10 16.958 -9.720 -14.067 1.00 0.00 C ATOM 122 C CYS A 10 17.791 -10.933 -14.326 1.00 0.00 C ATOM 123 O CYS A 10 17.722 -11.555 -15.389 1.00 0.00 O ATOM 124 CB CYS A 10 15.953 -10.020 -12.981 1.00 0.00 C ATOM 125 SG CYS A 10 15.030 -8.585 -12.458 1.00 0.00 S ATOM 0 H CYS A 10 15.332 -9.586 -15.348 1.00 0.00 H new ATOM 0 HA CYS A 10 17.621 -8.919 -13.742 1.00 0.00 H new ATOM 0 HB2 CYS A 10 15.258 -10.780 -13.338 1.00 0.00 H new ATOM 0 HB3 CYS A 10 16.473 -10.442 -12.121 1.00 0.00 H new ATOM 0 HG CYS A 10 14.189 -8.926 -11.527 1.00 0.00 H new ATOM 130 N THR A 11 18.584 -11.251 -13.359 1.00 0.00 N ATOM 131 CA THR A 11 19.423 -12.396 -13.405 1.00 0.00 C ATOM 132 C THR A 11 18.783 -13.522 -12.603 1.00 0.00 C ATOM 133 O THR A 11 17.809 -13.292 -11.867 1.00 0.00 O ATOM 134 CB THR A 11 20.782 -12.052 -12.801 1.00 0.00 C ATOM 135 OG1 THR A 11 20.617 -11.753 -11.403 1.00 0.00 O ATOM 136 CG2 THR A 11 21.362 -10.843 -13.512 1.00 0.00 C ATOM 0 H THR A 11 18.667 -10.710 -12.498 1.00 0.00 H new ATOM 0 HA THR A 11 19.554 -12.713 -14.440 1.00 0.00 H new ATOM 0 HB THR A 11 21.459 -12.898 -12.918 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.271 -10.842 -11.302 1.00 0.00 H new ATOM 0 HG21 THR A 11 22.332 -10.598 -13.080 1.00 0.00 H new ATOM 0 HG22 THR A 11 21.483 -11.067 -14.572 1.00 0.00 H new ATOM 0 HG23 THR A 11 20.688 -9.994 -13.395 1.00 0.00 H new ATOM 144 N SER A 12 19.313 -14.722 -12.730 1.00 0.00 N ATOM 145 CA SER A 12 18.820 -15.852 -11.962 1.00 0.00 C ATOM 146 C SER A 12 19.141 -15.649 -10.477 1.00 0.00 C ATOM 147 O SER A 12 18.543 -16.276 -9.600 1.00 0.00 O ATOM 148 CB SER A 12 19.469 -17.139 -12.466 1.00 0.00 C ATOM 149 OG SER A 12 19.380 -17.234 -13.880 1.00 0.00 O ATOM 0 H SER A 12 20.086 -14.942 -13.358 1.00 0.00 H new ATOM 0 HA SER A 12 17.739 -15.927 -12.084 1.00 0.00 H new ATOM 0 HB2 SER A 12 20.515 -17.166 -12.161 1.00 0.00 H new ATOM 0 HB3 SER A 12 18.981 -18.000 -12.009 1.00 0.00 H new ATOM 0 HG SER A 12 19.804 -18.065 -14.179 1.00 0.00 H new ATOM 155 N ALA A 13 20.073 -14.745 -10.214 1.00 0.00 N ATOM 156 CA ALA A 13 20.517 -14.453 -8.871 1.00 0.00 C ATOM 157 C ALA A 13 19.539 -13.528 -8.139 1.00 0.00 C ATOM 158 O ALA A 13 19.274 -13.713 -6.950 1.00 0.00 O ATOM 159 CB ALA A 13 21.903 -13.844 -8.916 1.00 0.00 C ATOM 0 H ALA A 13 20.541 -14.194 -10.934 1.00 0.00 H new ATOM 0 HA ALA A 13 20.553 -15.387 -8.311 1.00 0.00 H new ATOM 0 HB1 ALA A 13 22.237 -13.624 -7.902 1.00 0.00 H new ATOM 0 HB2 ALA A 13 22.594 -14.547 -9.381 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.877 -12.922 -9.497 1.00 0.00 H new ATOM 165 N CYS A 14 18.997 -12.541 -8.855 1.00 0.00 N ATOM 166 CA CYS A 14 18.043 -11.593 -8.258 1.00 0.00 C ATOM 167 C CYS A 14 16.726 -12.284 -7.957 1.00 0.00 C ATOM 168 O CYS A 14 15.985 -11.881 -7.060 1.00 0.00 O ATOM 169 CB CYS A 14 17.808 -10.386 -9.185 1.00 0.00 C ATOM 170 SG CYS A 14 16.626 -9.153 -8.543 1.00 0.00 S ATOM 0 H CYS A 14 19.197 -12.374 -9.841 1.00 0.00 H new ATOM 0 HA CYS A 14 18.472 -11.229 -7.325 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.763 -9.894 -9.367 1.00 0.00 H new ATOM 0 HB3 CYS A 14 17.447 -10.749 -10.148 1.00 0.00 H new ATOM 0 HG CYS A 14 15.862 -9.708 -7.650 1.00 0.00 H new ATOM 175 N ARG A 15 16.444 -13.348 -8.693 1.00 0.00 N ATOM 176 CA ARG A 15 15.218 -14.097 -8.499 1.00 0.00 C ATOM 177 C ARG A 15 15.371 -15.104 -7.360 1.00 0.00 C ATOM 178 O ARG A 15 14.500 -15.944 -7.136 1.00 0.00 O ATOM 179 CB ARG A 15 14.798 -14.798 -9.791 1.00 0.00 C ATOM 180 CG ARG A 15 14.595 -13.846 -10.963 1.00 0.00 C ATOM 181 CD ARG A 15 13.894 -14.532 -12.122 1.00 0.00 C ATOM 182 NE ARG A 15 12.547 -14.971 -11.757 1.00 0.00 N ATOM 183 CZ ARG A 15 11.779 -15.764 -12.501 1.00 0.00 C ATOM 184 NH1 ARG A 15 12.203 -16.180 -13.690 1.00 0.00 N ATOM 185 NH2 ARG A 15 10.582 -16.126 -12.060 1.00 0.00 N ATOM 0 H ARG A 15 17.049 -13.710 -9.430 1.00 0.00 H new ATOM 0 HA ARG A 15 14.432 -13.393 -8.225 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.556 -15.534 -10.058 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.872 -15.345 -9.613 1.00 0.00 H new ATOM 0 HG2 ARG A 15 14.008 -12.987 -10.638 1.00 0.00 H new ATOM 0 HG3 ARG A 15 15.561 -13.465 -11.295 1.00 0.00 H new ATOM 0 HD2 ARG A 15 13.837 -13.848 -12.969 1.00 0.00 H new ATOM 0 HD3 ARG A 15 14.482 -15.391 -12.445 1.00 0.00 H new ATOM 0 HE ARG A 15 12.169 -14.646 -10.867 1.00 0.00 H new ATOM 0 HH11 ARG A 15 13.119 -15.892 -14.034 1.00 0.00 H new ATOM 0 HH12 ARG A 15 11.613 -16.788 -14.258 1.00 0.00 H new ATOM 0 HH21 ARG A 15 10.252 -15.797 -11.153 1.00 0.00 H new ATOM 0 HH22 ARG A 15 9.991 -16.733 -12.628 1.00 0.00 H new ATOM 199 N SER A 16 16.480 -15.008 -6.647 1.00 0.00 N ATOM 200 CA SER A 16 16.744 -15.852 -5.510 1.00 0.00 C ATOM 201 C SER A 16 16.802 -14.983 -4.256 1.00 0.00 C ATOM 202 O SER A 16 17.180 -13.810 -4.331 1.00 0.00 O ATOM 203 CB SER A 16 18.073 -16.595 -5.712 1.00 0.00 C ATOM 204 OG SER A 16 18.294 -17.550 -4.688 1.00 0.00 O ATOM 0 H SER A 16 17.222 -14.337 -6.847 1.00 0.00 H new ATOM 0 HA SER A 16 15.951 -16.592 -5.400 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.069 -17.093 -6.681 1.00 0.00 H new ATOM 0 HB3 SER A 16 18.894 -15.878 -5.726 1.00 0.00 H new ATOM 0 HG SER A 16 19.146 -18.007 -4.845 1.00 0.00 H new ATOM 210 N GLU A 17 16.403 -15.530 -3.119 1.00 0.00 N ATOM 211 CA GLU A 17 16.446 -14.777 -1.875 1.00 0.00 C ATOM 212 C GLU A 17 17.251 -15.524 -0.810 1.00 0.00 C ATOM 213 O GLU A 17 17.053 -16.724 -0.596 1.00 0.00 O ATOM 214 CB GLU A 17 15.034 -14.443 -1.379 1.00 0.00 C ATOM 215 CG GLU A 17 14.174 -15.649 -1.055 1.00 0.00 C ATOM 216 CD GLU A 17 12.761 -15.265 -0.700 1.00 0.00 C ATOM 217 OE1 GLU A 17 11.836 -15.678 -1.423 1.00 0.00 O ATOM 218 OE2 GLU A 17 12.569 -14.537 0.295 1.00 0.00 O ATOM 0 H GLU A 17 16.049 -16.483 -3.031 1.00 0.00 H new ATOM 0 HA GLU A 17 16.954 -13.833 -2.072 1.00 0.00 H new ATOM 0 HB2 GLU A 17 15.115 -13.821 -0.487 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.528 -13.847 -2.139 1.00 0.00 H new ATOM 0 HG2 GLU A 17 14.161 -16.323 -1.911 1.00 0.00 H new ATOM 0 HG3 GLU A 17 14.619 -16.197 -0.224 1.00 0.00 H new ATOM 225 N PRO A 18 18.210 -14.833 -0.158 1.00 0.00 N ATOM 226 CA PRO A 18 18.504 -13.419 -0.428 1.00 0.00 C ATOM 227 C PRO A 18 19.087 -13.216 -1.816 1.00 0.00 C ATOM 228 O PRO A 18 19.484 -14.180 -2.478 1.00 0.00 O ATOM 229 CB PRO A 18 19.545 -13.038 0.632 1.00 0.00 C ATOM 230 CG PRO A 18 19.534 -14.157 1.621 1.00 0.00 C ATOM 231 CD PRO A 18 19.086 -15.381 0.877 1.00 0.00 C ATOM 0 HA PRO A 18 17.600 -12.811 -0.387 1.00 0.00 H new ATOM 0 HB2 PRO A 18 20.533 -12.917 0.187 1.00 0.00 H new ATOM 0 HB3 PRO A 18 19.292 -12.091 1.108 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.525 -14.305 2.050 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.859 -13.937 2.448 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.928 -15.923 0.448 1.00 0.00 H new ATOM 0 HD3 PRO A 18 18.556 -16.077 1.527 1.00 0.00 H new ATOM 239 N CYS A 19 19.131 -11.971 -2.243 1.00 0.00 N ATOM 240 CA CYS A 19 19.630 -11.612 -3.553 1.00 0.00 C ATOM 241 C CYS A 19 21.057 -12.132 -3.735 1.00 0.00 C ATOM 242 O CYS A 19 21.953 -11.812 -2.948 1.00 0.00 O ATOM 243 CB CYS A 19 19.586 -10.105 -3.704 1.00 0.00 C ATOM 244 SG CYS A 19 19.388 -9.527 -5.396 1.00 0.00 S ATOM 0 H CYS A 19 18.819 -11.175 -1.687 1.00 0.00 H new ATOM 0 HA CYS A 19 19.005 -12.067 -4.321 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.764 -9.717 -3.103 1.00 0.00 H new ATOM 0 HB3 CYS A 19 20.505 -9.685 -3.296 1.00 0.00 H new ATOM 0 HG CYS A 19 20.261 -10.113 -6.160 1.00 0.00 H new ATOM 249 N GLN A 20 21.259 -12.925 -4.768 1.00 0.00 N ATOM 250 CA GLN A 20 22.544 -13.568 -5.003 1.00 0.00 C ATOM 251 C GLN A 20 23.355 -12.846 -6.070 1.00 0.00 C ATOM 252 O GLN A 20 24.291 -13.411 -6.643 1.00 0.00 O ATOM 253 CB GLN A 20 22.319 -15.024 -5.410 1.00 0.00 C ATOM 254 CG GLN A 20 21.633 -15.856 -4.340 1.00 0.00 C ATOM 255 CD GLN A 20 22.485 -16.012 -3.091 1.00 0.00 C ATOM 256 OE1 GLN A 20 23.715 -16.008 -3.155 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.839 -16.145 -1.952 1.00 0.00 N ATOM 0 H GLN A 20 20.547 -13.143 -5.465 1.00 0.00 H new ATOM 0 HA GLN A 20 23.116 -13.526 -4.076 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.718 -15.050 -6.319 1.00 0.00 H new ATOM 0 HB3 GLN A 20 23.280 -15.478 -5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.685 -15.389 -4.073 1.00 0.00 H new ATOM 0 HG3 GLN A 20 21.401 -16.842 -4.743 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.819 -16.143 -1.941 1.00 0.00 H new ATOM 0 HE22 GLN A 20 22.358 -16.250 -1.080 1.00 0.00 H new ATOM 266 N CYS A 21 23.018 -11.595 -6.326 1.00 0.00 N ATOM 267 CA CYS A 21 23.705 -10.826 -7.349 1.00 0.00 C ATOM 268 C CYS A 21 24.968 -10.168 -6.818 1.00 0.00 C ATOM 269 O CYS A 21 25.595 -9.366 -7.510 1.00 0.00 O ATOM 270 CB CYS A 21 22.778 -9.790 -7.930 1.00 0.00 C ATOM 271 SG CYS A 21 21.238 -10.481 -8.533 1.00 0.00 S ATOM 0 H CYS A 21 22.275 -11.091 -5.842 1.00 0.00 H new ATOM 0 HA CYS A 21 24.007 -11.520 -8.133 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.559 -9.040 -7.170 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.284 -9.277 -8.748 1.00 0.00 H new ATOM 0 HG CYS A 21 21.413 -10.951 -9.732 1.00 0.00 H new ATOM 276 N GLY A 22 25.348 -10.512 -5.592 1.00 0.00 N ATOM 277 CA GLY A 22 26.573 -9.981 -5.031 1.00 0.00 C ATOM 278 C GLY A 22 27.775 -10.464 -5.811 1.00 0.00 C ATOM 279 O GLY A 22 28.836 -9.828 -5.813 1.00 0.00 O ATOM 0 H GLY A 22 24.832 -11.145 -4.981 1.00 0.00 H new ATOM 0 HA2 GLY A 22 26.541 -8.892 -5.042 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.663 -10.287 -3.989 1.00 0.00 H new ATOM 283 N SER A 23 27.598 -11.591 -6.477 1.00 0.00 N ATOM 284 CA SER A 23 28.623 -12.168 -7.302 1.00 0.00 C ATOM 285 C SER A 23 28.379 -11.817 -8.773 1.00 0.00 C ATOM 286 O SER A 23 29.234 -11.226 -9.430 1.00 0.00 O ATOM 287 CB SER A 23 28.640 -13.683 -7.106 1.00 0.00 C ATOM 288 OG SER A 23 27.327 -14.217 -7.198 1.00 0.00 O ATOM 0 H SER A 23 26.731 -12.128 -6.455 1.00 0.00 H new ATOM 0 HA SER A 23 29.592 -11.762 -7.012 1.00 0.00 H new ATOM 0 HB2 SER A 23 29.279 -14.145 -7.859 1.00 0.00 H new ATOM 0 HB3 SER A 23 29.068 -13.924 -6.133 1.00 0.00 H new ATOM 0 HG SER A 23 27.359 -15.188 -7.071 1.00 0.00 H new ATOM 294 N LYS A 24 27.198 -12.165 -9.270 1.00 0.00 N ATOM 295 CA LYS A 24 26.846 -11.911 -10.657 1.00 0.00 C ATOM 296 C LYS A 24 25.597 -11.058 -10.752 1.00 0.00 C ATOM 297 O LYS A 24 24.513 -11.491 -10.366 1.00 0.00 O ATOM 298 CB LYS A 24 26.601 -13.221 -11.402 1.00 0.00 C ATOM 299 CG LYS A 24 27.799 -14.143 -11.479 1.00 0.00 C ATOM 300 CD LYS A 24 27.457 -15.390 -12.270 1.00 0.00 C ATOM 301 CE LYS A 24 28.607 -16.373 -12.295 1.00 0.00 C ATOM 302 NZ LYS A 24 28.263 -17.596 -13.056 1.00 0.00 N ATOM 0 H LYS A 24 26.467 -12.626 -8.728 1.00 0.00 H new ATOM 0 HA LYS A 24 27.683 -11.381 -11.112 1.00 0.00 H new ATOM 0 HB2 LYS A 24 25.783 -13.752 -10.915 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.273 -12.990 -12.415 1.00 0.00 H new ATOM 0 HG2 LYS A 24 28.635 -13.625 -11.949 1.00 0.00 H new ATOM 0 HG3 LYS A 24 28.119 -14.419 -10.474 1.00 0.00 H new ATOM 0 HD2 LYS A 24 26.580 -15.868 -11.834 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.194 -15.112 -13.291 1.00 0.00 H new ATOM 0 HE2 LYS A 24 29.481 -15.900 -12.742 1.00 0.00 H new ATOM 0 HE3 LYS A 24 28.878 -16.643 -11.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 29.074 -18.247 -13.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 27.444 -18.061 -12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 28.029 -17.340 -14.037 1.00 0.00 H new ATOM 316 N CYS A 25 25.747 -9.854 -11.254 1.00 0.00 N ATOM 317 CA CYS A 25 24.619 -8.985 -11.454 1.00 0.00 C ATOM 318 C CYS A 25 24.645 -8.406 -12.855 1.00 0.00 C ATOM 319 O CYS A 25 25.662 -7.874 -13.303 1.00 0.00 O ATOM 320 CB CYS A 25 24.596 -7.869 -10.423 1.00 0.00 C ATOM 321 SG CYS A 25 23.037 -6.962 -10.390 1.00 0.00 S ATOM 0 H CYS A 25 26.644 -9.456 -11.531 1.00 0.00 H new ATOM 0 HA CYS A 25 23.711 -9.576 -11.331 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.784 -8.291 -9.436 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.409 -7.174 -10.632 1.00 0.00 H new ATOM 0 HG CYS A 25 23.257 -5.735 -10.023 1.00 0.00 H new ATOM 326 N GLN A 26 23.529 -8.514 -13.538 1.00 0.00 N ATOM 327 CA GLN A 26 23.409 -8.036 -14.901 1.00 0.00 C ATOM 328 C GLN A 26 22.021 -7.450 -15.108 1.00 0.00 C ATOM 329 O GLN A 26 21.585 -7.223 -16.242 1.00 0.00 O ATOM 330 CB GLN A 26 23.619 -9.198 -15.874 1.00 0.00 C ATOM 331 CG GLN A 26 24.047 -8.761 -17.262 1.00 0.00 C ATOM 332 CD GLN A 26 24.054 -9.902 -18.256 1.00 0.00 C ATOM 333 OE1 GLN A 26 25.065 -10.578 -18.444 1.00 0.00 O ATOM 334 NE2 GLN A 26 22.927 -10.125 -18.896 1.00 0.00 N ATOM 0 H GLN A 26 22.677 -8.935 -13.167 1.00 0.00 H new ATOM 0 HA GLN A 26 24.163 -7.270 -15.084 1.00 0.00 H new ATOM 0 HB2 GLN A 26 24.373 -9.870 -15.466 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.693 -9.767 -15.951 1.00 0.00 H new ATOM 0 HG2 GLN A 26 23.374 -7.980 -17.616 1.00 0.00 H new ATOM 0 HG3 GLN A 26 25.044 -8.324 -17.210 1.00 0.00 H new ATOM 0 HE21 GLN A 26 22.111 -9.541 -18.711 1.00 0.00 H new ATOM 0 HE22 GLN A 26 22.869 -10.882 -19.577 1.00 0.00 H new ATOM 343 N CYS A 27 21.334 -7.206 -14.007 1.00 0.00 N ATOM 344 CA CYS A 27 19.977 -6.708 -14.048 1.00 0.00 C ATOM 345 C CYS A 27 19.891 -5.375 -14.769 1.00 0.00 C ATOM 346 O CYS A 27 20.679 -4.455 -14.519 1.00 0.00 O ATOM 347 CB CYS A 27 19.401 -6.632 -12.646 1.00 0.00 C ATOM 348 SG CYS A 27 19.310 -8.250 -11.842 1.00 0.00 S ATOM 0 H CYS A 27 21.701 -7.347 -13.066 1.00 0.00 H new ATOM 0 HA CYS A 27 19.373 -7.410 -14.622 1.00 0.00 H new ATOM 0 HB2 CYS A 27 20.014 -5.964 -12.041 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.403 -6.196 -12.690 1.00 0.00 H new ATOM 0 HG CYS A 27 18.812 -8.114 -10.649 1.00 0.00 H new ATOM 353 N GLY A 28 18.948 -5.295 -15.682 1.00 0.00 N ATOM 354 CA GLY A 28 18.803 -4.118 -16.501 1.00 0.00 C ATOM 355 C GLY A 28 17.823 -3.106 -15.953 1.00 0.00 C ATOM 356 O GLY A 28 17.548 -3.067 -14.750 1.00 0.00 O ATOM 0 H GLY A 28 18.271 -6.033 -15.874 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.777 -3.642 -16.612 1.00 0.00 H new ATOM 0 HA3 GLY A 28 18.480 -4.419 -17.498 1.00 0.00 H new ATOM 360 N GLU A 29 17.293 -2.289 -16.851 1.00 0.00 N ATOM 361 CA GLU A 29 16.349 -1.241 -16.503 1.00 0.00 C ATOM 362 C GLU A 29 15.029 -1.832 -16.022 1.00 0.00 C ATOM 363 O GLU A 29 14.623 -2.911 -16.462 1.00 0.00 O ATOM 364 CB GLU A 29 16.121 -0.324 -17.706 1.00 0.00 C ATOM 365 CG GLU A 29 15.693 -1.062 -18.965 1.00 0.00 C ATOM 366 CD GLU A 29 15.570 -0.152 -20.162 1.00 0.00 C ATOM 367 OE1 GLU A 29 14.454 0.344 -20.427 1.00 0.00 O ATOM 368 OE2 GLU A 29 16.584 0.073 -20.850 1.00 0.00 O ATOM 0 H GLU A 29 17.508 -2.336 -17.847 1.00 0.00 H new ATOM 0 HA GLU A 29 16.769 -0.655 -15.686 1.00 0.00 H new ATOM 0 HB2 GLU A 29 15.359 0.413 -17.451 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.040 0.225 -17.912 1.00 0.00 H new ATOM 0 HG2 GLU A 29 16.416 -1.847 -19.184 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.736 -1.551 -18.786 1.00 0.00 H new ATOM 375 N GLY A 30 14.375 -1.130 -15.118 1.00 0.00 N ATOM 376 CA GLY A 30 13.124 -1.606 -14.573 1.00 0.00 C ATOM 377 C GLY A 30 13.320 -2.246 -13.219 1.00 0.00 C ATOM 378 O GLY A 30 12.409 -2.267 -12.389 1.00 0.00 O ATOM 0 H GLY A 30 14.689 -0.233 -14.748 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.424 -0.775 -14.486 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.679 -2.328 -15.257 1.00 0.00 H new ATOM 382 N CYS A 31 14.518 -2.761 -12.992 1.00 0.00 N ATOM 383 CA CYS A 31 14.847 -3.386 -11.737 1.00 0.00 C ATOM 384 C CYS A 31 15.110 -2.322 -10.684 1.00 0.00 C ATOM 385 O CYS A 31 16.039 -1.512 -10.811 1.00 0.00 O ATOM 386 CB CYS A 31 16.065 -4.303 -11.889 1.00 0.00 C ATOM 387 SG CYS A 31 16.462 -5.260 -10.403 1.00 0.00 S ATOM 0 H CYS A 31 15.279 -2.754 -13.671 1.00 0.00 H new ATOM 0 HA CYS A 31 14.002 -3.998 -11.420 1.00 0.00 H new ATOM 0 HB2 CYS A 31 15.887 -4.992 -12.715 1.00 0.00 H new ATOM 0 HB3 CYS A 31 16.930 -3.698 -12.160 1.00 0.00 H new ATOM 0 HG CYS A 31 17.503 -6.005 -10.632 1.00 0.00 H new ATOM 392 N THR A 32 14.282 -2.311 -9.664 1.00 0.00 N ATOM 393 CA THR A 32 14.402 -1.352 -8.596 1.00 0.00 C ATOM 394 C THR A 32 14.738 -2.066 -7.287 1.00 0.00 C ATOM 395 O THR A 32 14.592 -1.507 -6.199 1.00 0.00 O ATOM 396 CB THR A 32 13.091 -0.529 -8.447 1.00 0.00 C ATOM 397 OG1 THR A 32 13.235 0.468 -7.425 1.00 0.00 O ATOM 398 CG2 THR A 32 11.909 -1.435 -8.116 1.00 0.00 C ATOM 0 H THR A 32 13.508 -2.967 -9.554 1.00 0.00 H new ATOM 0 HA THR A 32 15.210 -0.661 -8.837 1.00 0.00 H new ATOM 0 HB THR A 32 12.898 -0.039 -9.401 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.694 0.079 -6.651 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.006 -0.833 -8.017 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.774 -2.164 -8.915 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.102 -1.956 -7.178 1.00 0.00 H new ATOM 406 N CYS A 33 15.208 -3.303 -7.414 1.00 0.00 N ATOM 407 CA CYS A 33 15.570 -4.112 -6.266 1.00 0.00 C ATOM 408 C CYS A 33 16.699 -3.460 -5.493 1.00 0.00 C ATOM 409 O CYS A 33 17.831 -3.423 -5.955 1.00 0.00 O ATOM 410 CB CYS A 33 15.986 -5.509 -6.714 1.00 0.00 C ATOM 411 SG CYS A 33 16.384 -6.628 -5.360 1.00 0.00 S ATOM 0 H CYS A 33 15.346 -3.766 -8.312 1.00 0.00 H new ATOM 0 HA CYS A 33 14.700 -4.193 -5.614 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.180 -5.944 -7.306 1.00 0.00 H new ATOM 0 HB3 CYS A 33 16.853 -5.426 -7.369 1.00 0.00 H new ATOM 0 HG CYS A 33 16.723 -7.787 -5.841 1.00 0.00 H new ATOM 416 N ALA A 34 16.383 -2.967 -4.306 1.00 0.00 N ATOM 417 CA ALA A 34 17.346 -2.252 -3.470 1.00 0.00 C ATOM 418 C ALA A 34 18.553 -3.116 -3.091 1.00 0.00 C ATOM 419 O ALA A 34 19.567 -2.601 -2.607 1.00 0.00 O ATOM 420 CB ALA A 34 16.661 -1.731 -2.223 1.00 0.00 C ATOM 0 H ALA A 34 15.455 -3.049 -3.892 1.00 0.00 H new ATOM 0 HA ALA A 34 17.726 -1.416 -4.057 1.00 0.00 H new ATOM 0 HB1 ALA A 34 17.385 -1.200 -1.605 1.00 0.00 H new ATOM 0 HB2 ALA A 34 15.857 -1.051 -2.506 1.00 0.00 H new ATOM 0 HB3 ALA A 34 16.247 -2.567 -1.659 1.00 0.00 H new ATOM 426 N ALA A 35 18.444 -4.414 -3.314 1.00 0.00 N ATOM 427 CA ALA A 35 19.518 -5.335 -2.998 1.00 0.00 C ATOM 428 C ALA A 35 20.696 -5.171 -3.959 1.00 0.00 C ATOM 429 O ALA A 35 21.835 -4.978 -3.529 1.00 0.00 O ATOM 430 CB ALA A 35 19.006 -6.762 -3.024 1.00 0.00 C ATOM 0 H ALA A 35 17.616 -4.855 -3.715 1.00 0.00 H new ATOM 0 HA ALA A 35 19.876 -5.104 -1.995 1.00 0.00 H new ATOM 0 HB1 ALA A 35 19.821 -7.445 -2.785 1.00 0.00 H new ATOM 0 HB2 ALA A 35 18.209 -6.876 -2.289 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.619 -6.992 -4.017 1.00 0.00 H new ATOM 436 N CYS A 36 20.423 -5.238 -5.251 1.00 0.00 N ATOM 437 CA CYS A 36 21.475 -5.123 -6.249 1.00 0.00 C ATOM 438 C CYS A 36 21.498 -3.730 -6.909 1.00 0.00 C ATOM 439 O CYS A 36 22.438 -3.394 -7.637 1.00 0.00 O ATOM 440 CB CYS A 36 21.345 -6.247 -7.291 1.00 0.00 C ATOM 441 SG CYS A 36 19.690 -6.434 -8.003 1.00 0.00 S ATOM 0 H CYS A 36 19.487 -5.371 -5.633 1.00 0.00 H new ATOM 0 HA CYS A 36 22.433 -5.236 -5.742 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.053 -6.059 -8.098 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.634 -7.190 -6.826 1.00 0.00 H new ATOM 0 HG CYS A 36 19.697 -7.405 -8.867 1.00 0.00 H new ATOM 446 N LYS A 37 20.474 -2.921 -6.638 1.00 0.00 N ATOM 447 CA LYS A 37 20.402 -1.557 -7.172 1.00 0.00 C ATOM 448 C LYS A 37 21.420 -0.664 -6.467 1.00 0.00 C ATOM 449 O LYS A 37 21.220 -0.268 -5.315 1.00 0.00 O ATOM 450 CB LYS A 37 18.992 -0.980 -6.972 1.00 0.00 C ATOM 451 CG LYS A 37 18.710 0.319 -7.718 1.00 0.00 C ATOM 452 CD LYS A 37 18.551 0.083 -9.213 1.00 0.00 C ATOM 453 CE LYS A 37 17.961 1.303 -9.907 1.00 0.00 C ATOM 454 NZ LYS A 37 17.712 1.054 -11.348 1.00 0.00 N ATOM 0 H LYS A 37 19.682 -3.185 -6.052 1.00 0.00 H new ATOM 0 HA LYS A 37 20.627 -1.591 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 37 18.263 -1.727 -7.287 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.834 -0.810 -5.907 1.00 0.00 H new ATOM 0 HG2 LYS A 37 17.803 0.777 -7.323 1.00 0.00 H new ATOM 0 HG3 LYS A 37 19.524 1.023 -7.545 1.00 0.00 H new ATOM 0 HD2 LYS A 37 19.521 -0.153 -9.651 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.907 -0.780 -9.380 1.00 0.00 H new ATOM 0 HE2 LYS A 37 17.026 1.581 -9.420 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.641 2.148 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 17.035 1.756 -11.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 18.606 1.133 -11.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.320 0.099 -11.473 1.00 0.00 H new ATOM 468 N THR A 38 22.507 -0.371 -7.144 1.00 0.00 N ATOM 469 CA THR A 38 23.544 0.471 -6.588 1.00 0.00 C ATOM 470 C THR A 38 23.744 1.710 -7.463 1.00 0.00 C ATOM 471 O THR A 38 23.233 1.775 -8.582 1.00 0.00 O ATOM 472 CB THR A 38 24.883 -0.309 -6.448 1.00 0.00 C ATOM 473 OG1 THR A 38 25.862 0.494 -5.772 1.00 0.00 O ATOM 474 CG2 THR A 38 25.422 -0.725 -7.813 1.00 0.00 C ATOM 0 H THR A 38 22.697 -0.706 -8.088 1.00 0.00 H new ATOM 0 HA THR A 38 23.229 0.785 -5.593 1.00 0.00 H new ATOM 0 HB THR A 38 24.684 -1.207 -5.863 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.698 -0.010 -5.690 1.00 0.00 H new ATOM 0 HG21 THR A 38 26.358 -1.268 -7.684 1.00 0.00 H new ATOM 0 HG22 THR A 38 24.695 -1.367 -8.311 1.00 0.00 H new ATOM 0 HG23 THR A 38 25.598 0.163 -8.421 1.00 0.00 H new ATOM 482 N CYS A 39 24.462 2.689 -6.944 1.00 0.00 N ATOM 483 CA CYS A 39 24.745 3.914 -7.672 1.00 0.00 C ATOM 484 C CYS A 39 25.960 4.608 -7.070 1.00 0.00 C ATOM 485 O CYS A 39 26.161 4.572 -5.856 1.00 0.00 O ATOM 486 CB CYS A 39 23.527 4.840 -7.637 1.00 0.00 C ATOM 487 SG CYS A 39 23.763 6.435 -8.444 1.00 0.00 S ATOM 0 H CYS A 39 24.865 2.658 -6.008 1.00 0.00 H new ATOM 0 HA CYS A 39 24.963 3.668 -8.711 1.00 0.00 H new ATOM 0 HB2 CYS A 39 22.688 4.330 -8.110 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.250 5.013 -6.597 1.00 0.00 H new ATOM 0 HG CYS A 39 24.175 7.306 -7.571 1.00 0.00 H new ATOM 492 N ASN A 40 26.775 5.217 -7.908 1.00 0.00 N ATOM 493 CA ASN A 40 27.975 5.898 -7.431 1.00 0.00 C ATOM 494 C ASN A 40 27.796 7.400 -7.377 1.00 0.00 C ATOM 495 O ASN A 40 28.592 8.101 -6.750 1.00 0.00 O ATOM 496 CB ASN A 40 29.206 5.532 -8.261 1.00 0.00 C ATOM 497 CG ASN A 40 29.780 4.182 -7.874 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.618 4.084 -6.975 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.337 3.138 -8.543 1.00 0.00 N ATOM 0 H ASN A 40 26.635 5.258 -8.918 1.00 0.00 H new ATOM 0 HA ASN A 40 28.140 5.548 -6.412 1.00 0.00 H new ATOM 0 HB2 ASN A 40 28.939 5.522 -9.318 1.00 0.00 H new ATOM 0 HB3 ASN A 40 29.969 6.299 -8.133 1.00 0.00 H new ATOM 0 HD21 ASN A 40 29.688 2.206 -8.324 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.643 3.262 -9.280 1.00 0.00 H new ATOM 506 N CYS A 41 26.772 7.910 -8.037 1.00 0.00 N ATOM 507 CA CYS A 41 26.485 9.320 -7.955 1.00 0.00 C ATOM 508 C CYS A 41 25.786 9.589 -6.619 1.00 0.00 C ATOM 509 O CYS A 41 24.924 8.815 -6.198 1.00 0.00 O ATOM 510 CB CYS A 41 25.635 9.787 -9.153 1.00 0.00 C ATOM 511 SG CYS A 41 26.414 9.496 -10.796 1.00 0.00 S ATOM 0 H CYS A 41 26.136 7.373 -8.627 1.00 0.00 H new ATOM 0 HA CYS A 41 27.412 9.893 -7.999 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.674 9.273 -9.124 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.430 10.852 -9.045 1.00 0.00 H new ATOM 0 HG CYS A 41 25.692 10.051 -11.723 1.00 0.00 H new ATOM 516 N THR A 42 26.182 10.645 -5.941 1.00 0.00 N ATOM 517 CA THR A 42 25.652 10.936 -4.616 1.00 0.00 C ATOM 518 C THR A 42 24.851 12.229 -4.600 1.00 0.00 C ATOM 519 O THR A 42 24.710 12.894 -5.628 1.00 0.00 O ATOM 520 CB THR A 42 26.789 11.025 -3.574 1.00 0.00 C ATOM 521 OG1 THR A 42 27.787 11.960 -4.016 1.00 0.00 O ATOM 522 CG2 THR A 42 27.430 9.660 -3.354 1.00 0.00 C ATOM 0 H THR A 42 26.868 11.319 -6.281 1.00 0.00 H new ATOM 0 HA THR A 42 24.986 10.114 -4.355 1.00 0.00 H new ATOM 0 HB THR A 42 26.362 11.366 -2.631 1.00 0.00 H new ATOM 0 HG1 THR A 42 28.504 12.013 -3.350 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.228 9.747 -2.616 1.00 0.00 H new ATOM 0 HG22 THR A 42 26.678 8.959 -2.993 1.00 0.00 H new ATOM 0 HG23 THR A 42 27.844 9.296 -4.295 1.00 0.00 H new ATOM 530 N SER A 43 24.348 12.589 -3.420 1.00 0.00 N ATOM 531 CA SER A 43 23.548 13.797 -3.231 1.00 0.00 C ATOM 532 C SER A 43 24.332 15.070 -3.582 1.00 0.00 C ATOM 533 O SER A 43 23.746 16.145 -3.752 1.00 0.00 O ATOM 534 CB SER A 43 23.045 13.853 -1.789 1.00 0.00 C ATOM 535 OG SER A 43 24.080 13.508 -0.878 1.00 0.00 O ATOM 0 H SER A 43 24.485 12.049 -2.566 1.00 0.00 H new ATOM 0 HA SER A 43 22.699 13.752 -3.913 1.00 0.00 H new ATOM 0 HB2 SER A 43 22.678 14.855 -1.566 1.00 0.00 H new ATOM 0 HB3 SER A 43 22.204 13.170 -1.666 1.00 0.00 H new ATOM 0 HG SER A 43 23.737 13.552 0.039 1.00 0.00 H new ATOM 541 N ASP A 44 25.650 14.941 -3.690 1.00 0.00 N ATOM 542 CA ASP A 44 26.510 16.058 -4.063 1.00 0.00 C ATOM 543 C ASP A 44 26.228 16.474 -5.504 1.00 0.00 C ATOM 544 O ASP A 44 26.293 17.657 -5.853 1.00 0.00 O ATOM 545 CB ASP A 44 27.981 15.665 -3.907 1.00 0.00 C ATOM 546 CG ASP A 44 28.936 16.790 -4.256 1.00 0.00 C ATOM 547 OD1 ASP A 44 29.385 16.858 -5.421 1.00 0.00 O ATOM 548 OD2 ASP A 44 29.258 17.603 -3.365 1.00 0.00 O ATOM 0 H ASP A 44 26.149 14.067 -3.523 1.00 0.00 H new ATOM 0 HA ASP A 44 26.300 16.901 -3.404 1.00 0.00 H new ATOM 0 HB2 ASP A 44 28.160 15.350 -2.879 1.00 0.00 H new ATOM 0 HB3 ASP A 44 28.191 14.806 -4.545 1.00 0.00 H new ATOM 553 N GLY A 45 25.893 15.498 -6.328 1.00 0.00 N ATOM 554 CA GLY A 45 25.595 15.766 -7.706 1.00 0.00 C ATOM 555 C GLY A 45 25.844 14.567 -8.584 1.00 0.00 C ATOM 556 O GLY A 45 26.578 13.648 -8.203 1.00 0.00 O ATOM 0 H GLY A 45 25.823 14.517 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 45 24.553 16.072 -7.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 26.204 16.601 -8.052 1.00 0.00 H new ATOM 560 N CYS A 46 25.237 14.573 -9.748 1.00 0.00 N ATOM 561 CA CYS A 46 25.395 13.502 -10.706 1.00 0.00 C ATOM 562 C CYS A 46 26.741 13.627 -11.405 1.00 0.00 C ATOM 563 O CYS A 46 27.282 14.733 -11.535 1.00 0.00 O ATOM 564 CB CYS A 46 24.264 13.553 -11.735 1.00 0.00 C ATOM 565 SG CYS A 46 24.341 12.261 -12.998 1.00 0.00 S ATOM 0 H CYS A 46 24.618 15.322 -10.059 1.00 0.00 H new ATOM 0 HA CYS A 46 25.355 12.547 -10.183 1.00 0.00 H new ATOM 0 HB2 CYS A 46 23.311 13.476 -11.212 1.00 0.00 H new ATOM 0 HB3 CYS A 46 24.281 14.526 -12.227 1.00 0.00 H new ATOM 0 HG CYS A 46 23.834 11.161 -12.525 1.00 0.00 H new ATOM 570 N LYS A 47 27.296 12.502 -11.832 1.00 0.00 N ATOM 571 CA LYS A 47 28.572 12.511 -12.525 1.00 0.00 C ATOM 572 C LYS A 47 28.563 11.611 -13.751 1.00 0.00 C ATOM 573 O LYS A 47 29.602 11.397 -14.373 1.00 0.00 O ATOM 574 CB LYS A 47 29.715 12.114 -11.587 1.00 0.00 C ATOM 575 CG LYS A 47 30.135 13.217 -10.625 1.00 0.00 C ATOM 576 CD LYS A 47 31.299 12.786 -9.740 1.00 0.00 C ATOM 577 CE LYS A 47 32.518 12.369 -10.558 1.00 0.00 C ATOM 578 NZ LYS A 47 33.014 13.465 -11.431 1.00 0.00 N ATOM 0 H LYS A 47 26.884 11.577 -11.711 1.00 0.00 H new ATOM 0 HA LYS A 47 28.737 13.534 -12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.412 11.239 -11.011 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.577 11.819 -12.185 1.00 0.00 H new ATOM 0 HG2 LYS A 47 30.418 14.104 -11.191 1.00 0.00 H new ATOM 0 HG3 LYS A 47 29.287 13.496 -9.999 1.00 0.00 H new ATOM 0 HD2 LYS A 47 31.572 13.606 -9.076 1.00 0.00 H new ATOM 0 HD3 LYS A 47 30.985 11.955 -9.108 1.00 0.00 H new ATOM 0 HE2 LYS A 47 33.315 12.056 -9.884 1.00 0.00 H new ATOM 0 HE3 LYS A 47 32.262 11.506 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 33.900 13.170 -11.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.302 13.679 -12.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 33.188 14.315 -10.857 1.00 0.00 H new ATOM 592 N CYS A 48 27.403 11.089 -14.107 1.00 0.00 N ATOM 593 CA CYS A 48 27.316 10.221 -15.271 1.00 0.00 C ATOM 594 C CYS A 48 26.430 10.846 -16.352 1.00 0.00 C ATOM 595 O CYS A 48 26.499 10.464 -17.523 1.00 0.00 O ATOM 596 CB CYS A 48 26.781 8.850 -14.876 1.00 0.00 C ATOM 597 SG CYS A 48 24.995 8.795 -14.678 1.00 0.00 S ATOM 0 H CYS A 48 26.522 11.246 -13.618 1.00 0.00 H new ATOM 0 HA CYS A 48 28.320 10.100 -15.679 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.075 8.124 -15.634 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.250 8.543 -13.941 1.00 0.00 H new ATOM 0 HG CYS A 48 24.632 7.592 -14.344 1.00 0.00 H new ATOM 602 N GLY A 49 25.592 11.799 -15.951 1.00 0.00 N ATOM 603 CA GLY A 49 24.733 12.477 -16.902 1.00 0.00 C ATOM 604 C GLY A 49 23.300 11.971 -16.892 1.00 0.00 C ATOM 605 O GLY A 49 22.537 12.248 -17.815 1.00 0.00 O ATOM 0 H GLY A 49 25.494 12.112 -14.985 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.734 13.545 -16.684 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.146 12.356 -17.903 1.00 0.00 H new ATOM 609 N LYS A 50 22.930 11.230 -15.858 1.00 0.00 N ATOM 610 CA LYS A 50 21.566 10.708 -15.745 1.00 0.00 C ATOM 611 C LYS A 50 20.756 11.500 -14.736 1.00 0.00 C ATOM 612 O LYS A 50 19.609 11.156 -14.439 1.00 0.00 O ATOM 613 CB LYS A 50 21.580 9.232 -15.366 1.00 0.00 C ATOM 614 CG LYS A 50 22.012 8.319 -16.494 1.00 0.00 C ATOM 615 CD LYS A 50 20.947 8.220 -17.567 1.00 0.00 C ATOM 616 CE LYS A 50 21.401 7.344 -18.723 1.00 0.00 C ATOM 617 NZ LYS A 50 22.574 7.919 -19.431 1.00 0.00 N ATOM 0 H LYS A 50 23.547 10.975 -15.087 1.00 0.00 H new ATOM 0 HA LYS A 50 21.092 10.813 -16.721 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.250 9.090 -14.518 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.583 8.941 -15.036 1.00 0.00 H new ATOM 0 HG2 LYS A 50 22.938 8.693 -16.932 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.225 7.326 -16.098 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.033 7.812 -17.137 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.708 9.217 -17.937 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.654 6.352 -18.348 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.579 7.218 -19.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.705 7.430 -20.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.413 8.932 -19.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.426 7.798 -18.847 1.00 0.00 H new ATOM 631 N GLU A 51 21.367 12.562 -14.207 1.00 0.00 N ATOM 632 CA GLU A 51 20.716 13.447 -13.237 1.00 0.00 C ATOM 633 C GLU A 51 20.350 12.692 -11.955 1.00 0.00 C ATOM 634 O GLU A 51 19.483 13.125 -11.190 1.00 0.00 O ATOM 635 CB GLU A 51 19.468 14.091 -13.852 1.00 0.00 C ATOM 636 CG GLU A 51 19.744 14.896 -15.113 1.00 0.00 C ATOM 637 CD GLU A 51 18.482 15.452 -15.727 1.00 0.00 C ATOM 638 OE1 GLU A 51 18.027 16.528 -15.286 1.00 0.00 O ATOM 639 OE2 GLU A 51 17.927 14.809 -16.646 1.00 0.00 O ATOM 0 H GLU A 51 22.323 12.833 -14.437 1.00 0.00 H new ATOM 0 HA GLU A 51 21.424 14.233 -12.974 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.745 13.309 -14.084 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.006 14.743 -13.111 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.422 15.716 -14.876 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.251 14.263 -15.841 1.00 0.00 H new ATOM 646 N CYS A 52 21.019 11.582 -11.723 1.00 0.00 N ATOM 647 CA CYS A 52 20.770 10.774 -10.552 1.00 0.00 C ATOM 648 C CYS A 52 21.747 11.130 -9.447 1.00 0.00 C ATOM 649 O CYS A 52 22.889 11.504 -9.710 1.00 0.00 O ATOM 650 CB CYS A 52 20.871 9.289 -10.903 1.00 0.00 C ATOM 651 SG CYS A 52 22.414 8.821 -11.721 1.00 0.00 S ATOM 0 H CYS A 52 21.746 11.218 -12.338 1.00 0.00 H new ATOM 0 HA CYS A 52 19.760 10.977 -10.195 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.766 8.704 -9.989 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.035 9.023 -11.550 1.00 0.00 H new ATOM 0 HG CYS A 52 22.402 7.546 -11.974 1.00 0.00 H new ATOM 656 N THR A 53 21.296 11.041 -8.214 1.00 0.00 N ATOM 657 CA THR A 53 22.137 11.357 -7.079 1.00 0.00 C ATOM 658 C THR A 53 22.020 10.273 -6.023 1.00 0.00 C ATOM 659 O THR A 53 22.018 10.549 -4.819 1.00 0.00 O ATOM 660 CB THR A 53 21.752 12.711 -6.460 1.00 0.00 C ATOM 661 OG1 THR A 53 20.359 12.718 -6.109 1.00 0.00 O ATOM 662 CG2 THR A 53 22.043 13.858 -7.418 1.00 0.00 C ATOM 0 H THR A 53 20.349 10.751 -7.971 1.00 0.00 H new ATOM 0 HA THR A 53 23.166 11.416 -7.435 1.00 0.00 H new ATOM 0 HB THR A 53 22.354 12.850 -5.562 1.00 0.00 H new ATOM 0 HG1 THR A 53 20.125 13.584 -5.714 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.760 14.802 -6.952 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.107 13.874 -7.654 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.470 13.720 -8.335 1.00 0.00 H new ATOM 670 N GLY A 54 21.944 9.047 -6.476 1.00 0.00 N ATOM 671 CA GLY A 54 21.783 7.934 -5.583 1.00 0.00 C ATOM 672 C GLY A 54 20.900 6.877 -6.193 1.00 0.00 C ATOM 673 O GLY A 54 20.171 7.166 -7.137 1.00 0.00 O ATOM 0 H GLY A 54 21.992 8.797 -7.464 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.758 7.507 -5.348 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.350 8.277 -4.643 1.00 0.00 H new ATOM 677 N PRO A 55 20.927 5.639 -5.671 1.00 0.00 N ATOM 678 CA PRO A 55 20.136 4.524 -6.215 1.00 0.00 C ATOM 679 C PRO A 55 18.637 4.830 -6.261 1.00 0.00 C ATOM 680 O PRO A 55 17.919 4.322 -7.121 1.00 0.00 O ATOM 681 CB PRO A 55 20.417 3.363 -5.242 1.00 0.00 C ATOM 682 CG PRO A 55 21.007 4.003 -4.028 1.00 0.00 C ATOM 683 CD PRO A 55 21.726 5.226 -4.510 1.00 0.00 C ATOM 0 HA PRO A 55 20.412 4.307 -7.247 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.502 2.824 -4.997 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.105 2.640 -5.680 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.230 4.265 -3.310 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.692 3.322 -3.523 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.760 6.002 -3.746 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.757 5.006 -4.787 1.00 0.00 H new ATOM 691 N ASP A 56 18.186 5.678 -5.350 1.00 0.00 N ATOM 692 CA ASP A 56 16.775 6.045 -5.254 1.00 0.00 C ATOM 693 C ASP A 56 16.323 6.874 -6.456 1.00 0.00 C ATOM 694 O ASP A 56 15.189 6.743 -6.925 1.00 0.00 O ATOM 695 CB ASP A 56 16.515 6.824 -3.962 1.00 0.00 C ATOM 696 CG ASP A 56 16.808 6.016 -2.715 1.00 0.00 C ATOM 697 OD1 ASP A 56 15.880 5.372 -2.186 1.00 0.00 O ATOM 698 OD2 ASP A 56 17.970 6.021 -2.250 1.00 0.00 O ATOM 0 H ASP A 56 18.782 6.132 -4.657 1.00 0.00 H new ATOM 0 HA ASP A 56 16.197 5.121 -5.245 1.00 0.00 H new ATOM 0 HB2 ASP A 56 17.129 7.725 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 56 15.474 7.148 -3.942 1.00 0.00 H new ATOM 703 N SER A 57 17.209 7.719 -6.955 1.00 0.00 N ATOM 704 CA SER A 57 16.898 8.581 -8.088 1.00 0.00 C ATOM 705 C SER A 57 17.569 8.074 -9.353 1.00 0.00 C ATOM 706 O SER A 57 17.547 8.731 -10.395 1.00 0.00 O ATOM 707 CB SER A 57 17.352 10.011 -7.793 1.00 0.00 C ATOM 708 OG SER A 57 18.688 10.033 -7.306 1.00 0.00 O ATOM 0 H SER A 57 18.156 7.828 -6.592 1.00 0.00 H new ATOM 0 HA SER A 57 15.819 8.570 -8.244 1.00 0.00 H new ATOM 0 HB2 SER A 57 17.282 10.613 -8.699 1.00 0.00 H new ATOM 0 HB3 SER A 57 16.686 10.463 -7.058 1.00 0.00 H new ATOM 0 HG SER A 57 18.850 10.877 -6.834 1.00 0.00 H new ATOM 714 N CYS A 58 18.143 6.902 -9.261 1.00 0.00 N ATOM 715 CA CYS A 58 18.876 6.332 -10.358 1.00 0.00 C ATOM 716 C CYS A 58 18.001 5.444 -11.233 1.00 0.00 C ATOM 717 O CYS A 58 17.386 4.486 -10.755 1.00 0.00 O ATOM 718 CB CYS A 58 20.056 5.541 -9.832 1.00 0.00 C ATOM 719 SG CYS A 58 21.018 4.740 -11.109 1.00 0.00 S ATOM 0 H CYS A 58 18.115 6.318 -8.425 1.00 0.00 H new ATOM 0 HA CYS A 58 19.230 7.154 -10.980 1.00 0.00 H new ATOM 0 HB2 CYS A 58 20.706 6.209 -9.266 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.693 4.785 -9.136 1.00 0.00 H new ATOM 0 HG CYS A 58 21.073 5.507 -12.157 1.00 0.00 H new ATOM 724 N LYS A 59 17.952 5.771 -12.516 1.00 0.00 N ATOM 725 CA LYS A 59 17.205 4.983 -13.490 1.00 0.00 C ATOM 726 C LYS A 59 18.103 3.913 -14.092 1.00 0.00 C ATOM 727 O LYS A 59 17.630 2.897 -14.597 1.00 0.00 O ATOM 728 CB LYS A 59 16.680 5.881 -14.612 1.00 0.00 C ATOM 729 CG LYS A 59 15.625 6.885 -14.184 1.00 0.00 C ATOM 730 CD LYS A 59 14.319 6.203 -13.815 1.00 0.00 C ATOM 731 CE LYS A 59 13.207 7.219 -13.596 1.00 0.00 C ATOM 732 NZ LYS A 59 12.946 8.028 -14.814 1.00 0.00 N ATOM 0 H LYS A 59 18.425 6.584 -12.911 1.00 0.00 H new ATOM 0 HA LYS A 59 16.364 4.514 -12.979 1.00 0.00 H new ATOM 0 HB2 LYS A 59 17.520 6.422 -15.048 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.264 5.251 -15.398 1.00 0.00 H new ATOM 0 HG2 LYS A 59 15.991 7.457 -13.331 1.00 0.00 H new ATOM 0 HG3 LYS A 59 15.449 7.595 -14.992 1.00 0.00 H new ATOM 0 HD2 LYS A 59 14.031 5.511 -14.606 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.458 5.612 -12.910 1.00 0.00 H new ATOM 0 HE2 LYS A 59 12.294 6.700 -13.303 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.477 7.880 -12.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 11.992 8.438 -14.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.648 8.792 -14.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 13.015 7.421 -15.655 1.00 0.00 H new ATOM 746 N CYS A 60 19.402 4.156 -14.025 1.00 0.00 N ATOM 747 CA CYS A 60 20.393 3.264 -14.596 1.00 0.00 C ATOM 748 C CYS A 60 20.351 1.885 -13.925 1.00 0.00 C ATOM 749 O CYS A 60 20.054 1.765 -12.725 1.00 0.00 O ATOM 750 CB CYS A 60 21.785 3.875 -14.426 1.00 0.00 C ATOM 751 SG CYS A 60 21.816 5.688 -14.482 1.00 0.00 S ATOM 0 H CYS A 60 19.798 4.980 -13.572 1.00 0.00 H new ATOM 0 HA CYS A 60 20.169 3.134 -15.655 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.200 3.545 -13.473 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.437 3.488 -15.209 1.00 0.00 H new ATOM 0 HG CYS A 60 23.037 6.106 -14.327 1.00 0.00 H new ATOM 756 N GLY A 61 20.635 0.855 -14.697 1.00 0.00 N ATOM 757 CA GLY A 61 20.677 -0.486 -14.162 1.00 0.00 C ATOM 758 C GLY A 61 22.101 -0.967 -14.022 1.00 0.00 C ATOM 759 O GLY A 61 22.717 -0.804 -12.973 1.00 0.00 O ATOM 0 H GLY A 61 20.839 0.923 -15.694 1.00 0.00 H new ATOM 0 HA2 GLY A 61 20.184 -0.509 -13.190 1.00 0.00 H new ATOM 0 HA3 GLY A 61 20.124 -1.160 -14.816 1.00 0.00 H new ATOM 763 N SER A 62 22.630 -1.529 -15.086 1.00 0.00 N ATOM 764 CA SER A 62 23.999 -2.004 -15.108 1.00 0.00 C ATOM 765 C SER A 62 24.712 -1.464 -16.349 1.00 0.00 C ATOM 766 O SER A 62 24.076 -0.845 -17.207 1.00 0.00 O ATOM 767 CB SER A 62 24.026 -3.538 -15.104 1.00 0.00 C ATOM 768 OG SER A 62 23.387 -4.062 -13.950 1.00 0.00 O ATOM 0 H SER A 62 22.125 -1.670 -15.961 1.00 0.00 H new ATOM 0 HA SER A 62 24.516 -1.646 -14.218 1.00 0.00 H new ATOM 0 HB2 SER A 62 23.531 -3.915 -15.999 1.00 0.00 H new ATOM 0 HB3 SER A 62 25.058 -3.886 -15.140 1.00 0.00 H new ATOM 0 HG SER A 62 22.439 -4.217 -14.143 1.00 0.00 H new ATOM 774 N SER A 63 26.028 -1.675 -16.422 1.00 0.00 N ATOM 775 CA SER A 63 26.838 -1.258 -17.576 1.00 0.00 C ATOM 776 C SER A 63 26.876 0.272 -17.745 1.00 0.00 C ATOM 777 O SER A 63 26.940 0.783 -18.865 1.00 0.00 O ATOM 778 CB SER A 63 26.325 -1.931 -18.856 1.00 0.00 C ATOM 779 OG SER A 63 26.325 -3.347 -18.715 1.00 0.00 O ATOM 0 H SER A 63 26.564 -2.138 -15.687 1.00 0.00 H new ATOM 0 HA SER A 63 27.862 -1.581 -17.387 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.316 -1.583 -19.077 1.00 0.00 H new ATOM 0 HB3 SER A 63 26.953 -1.645 -19.700 1.00 0.00 H new ATOM 0 HG SER A 63 25.993 -3.758 -19.540 1.00 0.00 H new ATOM 785 N CYS A 64 26.848 0.992 -16.636 1.00 0.00 N ATOM 786 CA CYS A 64 26.930 2.438 -16.682 1.00 0.00 C ATOM 787 C CYS A 64 28.156 2.922 -15.916 1.00 0.00 C ATOM 788 O CYS A 64 28.693 2.204 -15.070 1.00 0.00 O ATOM 789 CB CYS A 64 25.663 3.067 -16.111 1.00 0.00 C ATOM 790 SG CYS A 64 25.549 4.866 -16.348 1.00 0.00 S ATOM 0 H CYS A 64 26.769 0.599 -15.698 1.00 0.00 H new ATOM 0 HA CYS A 64 27.025 2.745 -17.723 1.00 0.00 H new ATOM 0 HB2 CYS A 64 24.796 2.596 -16.575 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.612 2.849 -15.044 1.00 0.00 H new ATOM 0 HG CYS A 64 24.439 5.302 -15.831 1.00 0.00 H new ATOM 795 N SER A 65 28.578 4.144 -16.202 1.00 0.00 N ATOM 796 CA SER A 65 29.754 4.733 -15.580 1.00 0.00 C ATOM 797 C SER A 65 29.566 4.960 -14.076 1.00 0.00 C ATOM 798 O SER A 65 30.536 5.038 -13.335 1.00 0.00 O ATOM 799 CB SER A 65 30.105 6.046 -16.272 1.00 0.00 C ATOM 800 OG SER A 65 30.363 5.834 -17.652 1.00 0.00 O ATOM 0 H SER A 65 28.114 4.756 -16.873 1.00 0.00 H new ATOM 0 HA SER A 65 30.575 4.025 -15.697 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.285 6.755 -16.155 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.980 6.490 -15.798 1.00 0.00 H new ATOM 0 HG SER A 65 30.585 6.688 -18.078 1.00 0.00 H new ATOM 806 N CYS A 66 28.327 5.063 -13.626 1.00 0.00 N ATOM 807 CA CYS A 66 28.078 5.265 -12.207 1.00 0.00 C ATOM 808 C CYS A 66 27.817 3.928 -11.520 1.00 0.00 C ATOM 809 O CYS A 66 27.350 3.878 -10.381 1.00 0.00 O ATOM 810 CB CYS A 66 26.895 6.212 -11.991 1.00 0.00 C ATOM 811 SG CYS A 66 25.277 5.440 -12.175 1.00 0.00 S ATOM 0 H CYS A 66 27.491 5.012 -14.209 1.00 0.00 H new ATOM 0 HA CYS A 66 28.965 5.720 -11.766 1.00 0.00 H new ATOM 0 HB2 CYS A 66 26.967 6.641 -10.992 1.00 0.00 H new ATOM 0 HB3 CYS A 66 26.972 7.037 -12.699 1.00 0.00 H new ATOM 0 HG CYS A 66 24.348 6.326 -11.970 1.00 0.00 H new ATOM 816 N LYS A 67 28.124 2.845 -12.214 1.00 0.00 N ATOM 817 CA LYS A 67 27.913 1.509 -11.679 1.00 0.00 C ATOM 818 C LYS A 67 29.239 0.788 -11.479 1.00 0.00 C ATOM 819 O LYS A 67 29.924 1.115 -10.475 1.00 0.00 O ATOM 820 CB LYS A 67 26.998 0.707 -12.606 1.00 0.00 C ATOM 821 CG LYS A 67 25.598 1.290 -12.740 1.00 0.00 C ATOM 822 CD LYS A 67 24.864 1.268 -11.411 1.00 0.00 C ATOM 823 CE LYS A 67 23.460 1.836 -11.533 1.00 0.00 C ATOM 824 NZ LYS A 67 23.469 3.312 -11.658 1.00 0.00 N ATOM 0 H LYS A 67 28.522 2.865 -13.153 1.00 0.00 H new ATOM 0 HA LYS A 67 27.430 1.601 -10.706 1.00 0.00 H new ATOM 0 HB2 LYS A 67 27.455 0.652 -13.594 1.00 0.00 H new ATOM 0 HB3 LYS A 67 26.922 -0.314 -12.232 1.00 0.00 H new ATOM 0 HG2 LYS A 67 25.662 2.315 -13.106 1.00 0.00 H new ATOM 0 HG3 LYS A 67 25.034 0.722 -13.479 1.00 0.00 H new ATOM 0 HD2 LYS A 67 24.811 0.244 -11.042 1.00 0.00 H new ATOM 0 HD3 LYS A 67 25.426 1.843 -10.675 1.00 0.00 H new ATOM 0 HE2 LYS A 67 22.967 1.401 -12.403 1.00 0.00 H new ATOM 0 HE3 LYS A 67 22.875 1.549 -10.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 22.492 3.668 -11.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.005 3.724 -10.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 23.916 3.581 -12.558 1.00 0.00 H new