USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=34 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 69:sc= -0.372! USER MOD Set 1.2: A 41 CYS SG : rot 158:sc=-0.00637 USER MOD Set 1.3: A 46 CYS SG : rot -1:sc= -0.871 USER MOD Set 1.4: A 48 CYS SG : rot -29:sc= 0.159 USER MOD Set 1.5: A 52 CYS SG : rot -94:sc= 0.472 USER MOD Set 1.6: A 58 CYS SG : rot 89:sc= 1.1 USER MOD Set 1.7: A 60 CYS SG : rot -142:sc= -0.498 USER MOD Set 1.8: A 64 CYS SG : rot -121:sc= -0.774 USER MOD Set 1.9: A 66 CYS SG : rot -119:sc= -0.58! USER MOD Set 1.10: A 67 LYS NZ :NH3+ -166:sc= 0.134! (180deg=-0.822) USER MOD Set 2.1: A 11 THR OG1 : rot 147:sc= -0.408! USER MOD Set 2.2: A 26 GLN : amide:sc= 1.01 K(o=0.6,f=-0.85!) USER MOD Set 3.1: A 10 CYS SG : rot -115:sc= -0.671 USER MOD Set 3.2: A 14 CYS SG : rot 27:sc= 0.528 USER MOD Set 3.3: A 19 CYS SG : rot 180:sc= 0.435 USER MOD Set 3.4: A 21 CYS SG : rot 180:sc= -2.44 USER MOD Set 3.5: A 25 CYS SG : rot -50:sc= -1.91 USER MOD Set 3.6: A 27 CYS SG : rot -150:sc= 0.45 USER MOD Set 3.7: A 31 CYS SG : rot -7:sc= -0.0151 USER MOD Set 3.8: A 33 CYS SG : rot -153:sc= 0.233 USER MOD Set 3.9: A 36 CYS SG : rot -148:sc= -2.87! USER MOD Set 3.10: A 37 LYS NZ :NH3+ -166:sc= 2.18 (180deg=1.12) USER MOD Set 3.11: A 62 SER OG : rot 110:sc= 0.372 USER MOD Single : A 9 LYS NZ :NH3+ -140:sc= 1.22 (180deg=0.402) 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= 0.165 X(o=0.16,f=-0.22) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 11:sc= 1.02 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.233 X(o=0.23,f=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0.479 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 19:sc= 0.777 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 -15.578 23.252 -14.737 1.00 0.00 N ATOM 99 CA LYS A 9 -16.571 23.434 -13.702 1.00 0.00 C ATOM 100 C LYS A 9 -17.157 24.831 -13.793 1.00 0.00 C ATOM 101 O LYS A 9 -17.640 25.381 -12.805 1.00 0.00 O ATOM 102 CB LYS A 9 -15.958 23.203 -12.297 1.00 0.00 C ATOM 103 CG LYS A 9 -15.585 21.744 -11.975 1.00 0.00 C ATOM 104 CD LYS A 9 -14.228 21.337 -12.555 1.00 0.00 C ATOM 105 CE LYS A 9 -13.877 19.895 -12.190 1.00 0.00 C ATOM 106 NZ LYS A 9 -12.482 19.528 -12.566 1.00 0.00 N ATOM 0 HA LYS A 9 -17.363 22.700 -13.850 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -15.064 23.819 -12.203 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -16.667 23.554 -11.547 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -15.568 21.608 -10.894 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.356 21.081 -12.368 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -14.247 21.445 -13.639 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -13.454 22.008 -12.181 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -14.008 19.754 -11.117 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -14.573 19.219 -12.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.468 18.559 -12.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.133 20.188 -13.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -11.871 19.580 -11.726 1.00 0.00 H new ATOM 120 N CYS A 10 -17.104 25.404 -14.983 1.00 0.00 N ATOM 121 CA CYS A 10 -17.636 26.733 -15.208 1.00 0.00 C ATOM 122 C CYS A 10 -19.100 26.675 -15.581 1.00 0.00 C ATOM 123 O CYS A 10 -19.511 25.822 -16.354 1.00 0.00 O ATOM 124 CB CYS A 10 -16.853 27.461 -16.293 1.00 0.00 C ATOM 125 SG CYS A 10 -15.189 27.942 -15.799 1.00 0.00 S ATOM 0 H CYS A 10 -16.696 24.967 -15.809 1.00 0.00 H new ATOM 0 HA CYS A 10 -17.535 27.287 -14.275 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -16.789 26.820 -17.172 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -17.405 28.353 -16.589 1.00 0.00 H new ATOM 0 HG CYS A 10 -15.097 29.239 -15.788 1.00 0.00 H new ATOM 130 N THR A 11 -19.877 27.588 -15.045 1.00 0.00 N ATOM 131 CA THR A 11 -21.293 27.624 -15.318 1.00 0.00 C ATOM 132 C THR A 11 -21.575 28.481 -16.541 1.00 0.00 C ATOM 133 O THR A 11 -20.646 29.003 -17.173 1.00 0.00 O ATOM 134 CB THR A 11 -22.067 28.182 -14.118 1.00 0.00 C ATOM 135 OG1 THR A 11 -21.587 29.499 -13.804 1.00 0.00 O ATOM 136 CG2 THR A 11 -21.899 27.273 -12.909 1.00 0.00 C ATOM 0 H THR A 11 -19.549 28.319 -14.414 1.00 0.00 H new ATOM 0 HA THR A 11 -21.622 26.602 -15.507 1.00 0.00 H new ATOM 0 HB THR A 11 -23.125 28.232 -14.375 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.326 30.043 -13.461 1.00 0.00 H new ATOM 0 HG21 THR A 11 -22.454 27.683 -12.066 1.00 0.00 H new ATOM 0 HG22 THR A 11 -22.279 26.279 -13.145 1.00 0.00 H new ATOM 0 HG23 THR A 11 -20.843 27.205 -12.649 1.00 0.00 H new ATOM 144 N SER A 12 -22.847 28.636 -16.871 1.00 0.00 N ATOM 145 CA SER A 12 -23.248 29.439 -18.011 1.00 0.00 C ATOM 146 C SER A 12 -22.871 30.911 -17.808 1.00 0.00 C ATOM 147 O SER A 12 -22.721 31.658 -18.771 1.00 0.00 O ATOM 148 CB SER A 12 -24.748 29.302 -18.235 1.00 0.00 C ATOM 149 OG SER A 12 -25.134 27.933 -18.234 1.00 0.00 O ATOM 0 H SER A 12 -23.622 28.213 -16.361 1.00 0.00 H new ATOM 0 HA SER A 12 -22.719 29.077 -18.893 1.00 0.00 H new ATOM 0 HB2 SER A 12 -25.288 29.838 -17.454 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.022 29.762 -19.185 1.00 0.00 H new ATOM 0 HG SER A 12 -26.101 27.866 -18.378 1.00 0.00 H new ATOM 155 N ALA A 13 -22.704 31.315 -16.548 1.00 0.00 N ATOM 156 CA ALA A 13 -22.339 32.680 -16.230 1.00 0.00 C ATOM 157 C ALA A 13 -20.914 32.975 -16.677 1.00 0.00 C ATOM 158 O ALA A 13 -20.658 33.972 -17.347 1.00 0.00 O ATOM 159 CB ALA A 13 -22.494 32.936 -14.741 1.00 0.00 C ATOM 0 H ALA A 13 -22.818 30.709 -15.736 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.010 33.349 -16.769 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.216 33.966 -14.518 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.531 32.769 -14.449 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -21.847 32.257 -14.186 1.00 0.00 H new ATOM 165 N CYS A 14 -19.992 32.100 -16.315 1.00 0.00 N ATOM 166 CA CYS A 14 -18.598 32.274 -16.690 1.00 0.00 C ATOM 167 C CYS A 14 -18.401 31.973 -18.173 1.00 0.00 C ATOM 168 O CYS A 14 -17.547 32.559 -18.828 1.00 0.00 O ATOM 169 CB CYS A 14 -17.699 31.377 -15.844 1.00 0.00 C ATOM 170 SG CYS A 14 -15.932 31.691 -16.064 1.00 0.00 S ATOM 0 H CYS A 14 -20.182 31.263 -15.763 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.322 33.312 -16.507 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -17.954 31.512 -14.793 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -17.906 30.336 -16.091 1.00 0.00 H new ATOM 0 HG CYS A 14 -15.752 32.927 -16.424 1.00 0.00 H new ATOM 175 N ARG A 15 -19.209 31.061 -18.698 1.00 0.00 N ATOM 176 CA ARG A 15 -19.136 30.691 -20.113 1.00 0.00 C ATOM 177 C ARG A 15 -19.722 31.772 -21.013 1.00 0.00 C ATOM 178 O ARG A 15 -19.557 31.732 -22.234 1.00 0.00 O ATOM 179 CB ARG A 15 -19.838 29.357 -20.364 1.00 0.00 C ATOM 180 CG ARG A 15 -18.993 28.133 -20.033 1.00 0.00 C ATOM 181 CD ARG A 15 -17.896 27.904 -21.075 1.00 0.00 C ATOM 182 NE ARG A 15 -16.858 28.940 -21.042 1.00 0.00 N ATOM 183 CZ ARG A 15 -16.177 29.366 -22.112 1.00 0.00 C ATOM 184 NH1 ARG A 15 -16.435 28.862 -23.315 1.00 0.00 N ATOM 185 NH2 ARG A 15 -15.237 30.297 -21.972 1.00 0.00 N ATOM 0 H ARG A 15 -19.924 30.562 -18.169 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.080 30.586 -20.363 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -20.753 29.324 -19.772 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -20.135 29.307 -21.412 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -18.540 28.259 -19.049 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.633 27.253 -19.979 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.437 26.930 -20.905 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.344 27.876 -22.068 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.640 29.365 -20.141 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -17.155 28.148 -23.425 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -15.913 29.190 -24.128 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -15.037 30.685 -21.050 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.717 30.623 -22.787 1.00 0.00 H new ATOM 199 N SER A 16 -20.396 32.729 -20.414 1.00 0.00 N ATOM 200 CA SER A 16 -20.978 33.824 -21.156 1.00 0.00 C ATOM 201 C SER A 16 -19.914 34.886 -21.430 1.00 0.00 C ATOM 202 O SER A 16 -18.839 34.872 -20.822 1.00 0.00 O ATOM 203 CB SER A 16 -22.150 34.423 -20.374 1.00 0.00 C ATOM 204 OG SER A 16 -22.865 35.363 -21.154 1.00 0.00 O ATOM 0 H SER A 16 -20.555 32.770 -19.407 1.00 0.00 H new ATOM 0 HA SER A 16 -21.354 33.453 -22.109 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.822 33.626 -20.056 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.778 34.906 -19.471 1.00 0.00 H new ATOM 0 HG SER A 16 -23.608 35.727 -20.628 1.00 0.00 H new ATOM 210 N GLU A 17 -20.204 35.792 -22.340 1.00 0.00 N ATOM 211 CA GLU A 17 -19.267 36.838 -22.694 1.00 0.00 C ATOM 212 C GLU A 17 -19.916 38.221 -22.572 1.00 0.00 C ATOM 213 O GLU A 17 -20.864 38.540 -23.294 1.00 0.00 O ATOM 214 CB GLU A 17 -18.720 36.613 -24.111 1.00 0.00 C ATOM 215 CG GLU A 17 -19.794 36.337 -25.149 1.00 0.00 C ATOM 216 CD GLU A 17 -19.230 36.161 -26.535 1.00 0.00 C ATOM 217 OE1 GLU A 17 -18.697 35.077 -26.833 1.00 0.00 O ATOM 218 OE2 GLU A 17 -19.335 37.101 -27.344 1.00 0.00 O ATOM 0 H GLU A 17 -21.086 35.825 -22.851 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.432 36.799 -21.994 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -18.153 37.493 -24.415 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -18.023 35.775 -24.092 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.343 35.439 -24.868 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -20.509 37.160 -25.154 1.00 0.00 H new ATOM 225 N PRO A 18 -19.424 39.060 -21.639 1.00 0.00 N ATOM 226 CA PRO A 18 -18.318 38.718 -20.747 1.00 0.00 C ATOM 227 C PRO A 18 -18.789 37.884 -19.556 1.00 0.00 C ATOM 228 O PRO A 18 -19.962 37.499 -19.482 1.00 0.00 O ATOM 229 CB PRO A 18 -17.803 40.086 -20.259 1.00 0.00 C ATOM 230 CG PRO A 18 -18.699 41.117 -20.880 1.00 0.00 C ATOM 231 CD PRO A 18 -19.922 40.401 -21.374 1.00 0.00 C ATOM 0 HA PRO A 18 -17.559 38.120 -21.251 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.834 40.148 -19.171 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.766 40.241 -20.558 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.969 41.882 -20.152 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -18.192 41.624 -21.701 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.717 40.397 -20.629 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -20.328 40.867 -22.272 1.00 0.00 H new ATOM 239 N CYS A 19 -17.884 37.625 -18.625 1.00 0.00 N ATOM 240 CA CYS A 19 -18.206 36.821 -17.453 1.00 0.00 C ATOM 241 C CYS A 19 -19.363 37.379 -16.671 1.00 0.00 C ATOM 242 O CYS A 19 -19.374 38.547 -16.277 1.00 0.00 O ATOM 243 CB CYS A 19 -17.005 36.649 -16.551 1.00 0.00 C ATOM 244 SG CYS A 19 -15.892 35.360 -17.090 1.00 0.00 S ATOM 0 H CYS A 19 -16.921 37.959 -18.657 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.503 35.843 -17.831 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -16.460 37.592 -16.500 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -17.348 36.424 -15.541 1.00 0.00 H new ATOM 0 HG CYS A 19 -14.890 35.279 -16.265 1.00 0.00 H new ATOM 249 N GLN A 20 -20.331 36.532 -16.446 1.00 0.00 N ATOM 250 CA GLN A 20 -21.512 36.895 -15.716 1.00 0.00 C ATOM 251 C GLN A 20 -21.446 36.376 -14.301 1.00 0.00 C ATOM 252 O GLN A 20 -22.443 36.364 -13.591 1.00 0.00 O ATOM 253 CB GLN A 20 -22.748 36.358 -16.408 1.00 0.00 C ATOM 254 CG GLN A 20 -22.992 36.953 -17.774 1.00 0.00 C ATOM 255 CD GLN A 20 -23.077 38.465 -17.744 1.00 0.00 C ATOM 256 OE1 GLN A 20 -24.136 39.034 -17.493 1.00 0.00 O ATOM 257 NE2 GLN A 20 -21.972 39.125 -18.025 1.00 0.00 N ATOM 0 H GLN A 20 -20.321 35.564 -16.767 1.00 0.00 H new ATOM 0 HA GLN A 20 -21.570 37.983 -15.685 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.657 35.276 -16.505 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -23.617 36.550 -15.779 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -22.189 36.651 -18.446 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.918 36.549 -18.182 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -21.112 38.616 -18.228 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -21.977 40.145 -18.039 1.00 0.00 H new ATOM 266 N CYS A 21 -20.265 35.933 -13.891 1.00 0.00 N ATOM 267 CA CYS A 21 -20.079 35.457 -12.522 1.00 0.00 C ATOM 268 C CYS A 21 -20.370 36.581 -11.526 1.00 0.00 C ATOM 269 O CYS A 21 -20.797 36.328 -10.394 1.00 0.00 O ATOM 270 CB CYS A 21 -18.660 34.933 -12.300 1.00 0.00 C ATOM 271 SG CYS A 21 -18.368 33.235 -12.854 1.00 0.00 S ATOM 0 H CYS A 21 -19.430 35.892 -14.476 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.778 34.636 -12.361 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.962 35.592 -12.817 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -18.429 34.996 -11.237 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.133 32.907 -12.615 1.00 0.00 H new ATOM 276 N GLY A 22 -20.141 37.825 -11.969 1.00 0.00 N ATOM 277 CA GLY A 22 -20.373 38.984 -11.132 1.00 0.00 C ATOM 278 C GLY A 22 -19.542 38.949 -9.875 1.00 0.00 C ATOM 279 O GLY A 22 -18.317 39.047 -9.929 1.00 0.00 O ATOM 0 H GLY A 22 -19.795 38.042 -12.904 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -20.142 39.889 -11.694 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -21.429 39.034 -10.867 1.00 0.00 H new ATOM 283 N SER A 23 -20.203 38.800 -8.751 1.00 0.00 N ATOM 284 CA SER A 23 -19.526 38.697 -7.475 1.00 0.00 C ATOM 285 C SER A 23 -19.882 37.381 -6.795 1.00 0.00 C ATOM 286 O SER A 23 -19.686 37.213 -5.594 1.00 0.00 O ATOM 287 CB SER A 23 -19.896 39.880 -6.584 1.00 0.00 C ATOM 288 OG SER A 23 -19.472 41.104 -7.170 1.00 0.00 O ATOM 0 H SER A 23 -21.220 38.747 -8.693 1.00 0.00 H new ATOM 0 HA SER A 23 -18.450 38.717 -7.645 1.00 0.00 H new ATOM 0 HB2 SER A 23 -20.975 39.900 -6.428 1.00 0.00 H new ATOM 0 HB3 SER A 23 -19.434 39.761 -5.604 1.00 0.00 H new ATOM 0 HG SER A 23 -19.720 41.850 -6.585 1.00 0.00 H new ATOM 294 N LYS A 24 -20.397 36.446 -7.575 1.00 0.00 N ATOM 295 CA LYS A 24 -20.784 35.147 -7.055 1.00 0.00 C ATOM 296 C LYS A 24 -19.744 34.096 -7.399 1.00 0.00 C ATOM 297 O LYS A 24 -19.336 33.310 -6.535 1.00 0.00 O ATOM 298 CB LYS A 24 -22.146 34.728 -7.618 1.00 0.00 C ATOM 299 CG LYS A 24 -23.289 35.670 -7.265 1.00 0.00 C ATOM 300 CD LYS A 24 -23.519 35.749 -5.760 1.00 0.00 C ATOM 301 CE LYS A 24 -23.932 34.402 -5.183 1.00 0.00 C ATOM 302 NZ LYS A 24 -24.141 34.469 -3.717 1.00 0.00 N ATOM 0 H LYS A 24 -20.557 36.564 -8.575 1.00 0.00 H new ATOM 0 HA LYS A 24 -20.855 35.228 -5.970 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -22.071 34.658 -8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -22.386 33.731 -7.250 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -23.071 36.666 -7.651 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -24.202 35.331 -7.754 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -22.607 36.091 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -24.291 36.488 -5.548 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.850 34.066 -5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -23.165 33.661 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -24.421 33.532 -3.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -23.258 34.764 -3.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -24.891 35.158 -3.504 1.00 0.00 H new ATOM 316 N CYS A 25 -19.307 34.107 -8.659 1.00 0.00 N ATOM 317 CA CYS A 25 -18.359 33.127 -9.190 1.00 0.00 C ATOM 318 C CYS A 25 -18.883 31.711 -8.989 1.00 0.00 C ATOM 319 O CYS A 25 -18.642 31.071 -7.959 1.00 0.00 O ATOM 320 CB CYS A 25 -16.974 33.297 -8.575 1.00 0.00 C ATOM 321 SG CYS A 25 -15.646 33.306 -9.795 1.00 0.00 S ATOM 0 H CYS A 25 -19.603 34.802 -9.345 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.259 33.304 -10.261 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.947 34.230 -8.012 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.799 32.490 -7.864 1.00 0.00 H new ATOM 0 HG CYS A 25 -15.773 32.279 -10.582 1.00 0.00 H new ATOM 326 N GLN A 26 -19.600 31.229 -9.977 1.00 0.00 N ATOM 327 CA GLN A 26 -20.262 29.940 -9.888 1.00 0.00 C ATOM 328 C GLN A 26 -19.386 28.828 -10.451 1.00 0.00 C ATOM 329 O GLN A 26 -19.724 27.653 -10.359 1.00 0.00 O ATOM 330 CB GLN A 26 -21.572 29.993 -10.658 1.00 0.00 C ATOM 331 CG GLN A 26 -22.406 31.231 -10.374 1.00 0.00 C ATOM 332 CD GLN A 26 -23.565 31.374 -11.334 1.00 0.00 C ATOM 333 OE1 GLN A 26 -23.494 30.923 -12.478 1.00 0.00 O ATOM 334 NE2 GLN A 26 -24.626 32.013 -10.890 1.00 0.00 N ATOM 0 H GLN A 26 -19.743 31.713 -10.863 1.00 0.00 H new ATOM 0 HA GLN A 26 -20.452 29.724 -8.837 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -21.356 29.950 -11.726 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -22.160 29.108 -10.416 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -22.786 31.184 -9.353 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.773 32.116 -10.438 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -24.643 32.371 -9.935 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -25.431 32.151 -11.501 1.00 0.00 H new ATOM 343 N CYS A 27 -18.264 29.199 -11.026 1.00 0.00 N ATOM 344 CA CYS A 27 -17.374 28.233 -11.637 1.00 0.00 C ATOM 345 C CYS A 27 -16.373 27.676 -10.626 1.00 0.00 C ATOM 346 O CYS A 27 -16.300 28.136 -9.477 1.00 0.00 O ATOM 347 CB CYS A 27 -16.639 28.874 -12.792 1.00 0.00 C ATOM 348 SG CYS A 27 -15.681 30.304 -12.315 1.00 0.00 S ATOM 0 H CYS A 27 -17.944 30.166 -11.084 1.00 0.00 H new ATOM 0 HA CYS A 27 -17.977 27.402 -12.003 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -15.977 28.137 -13.246 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -17.360 29.167 -13.555 1.00 0.00 H new ATOM 0 HG CYS A 27 -15.614 31.134 -13.313 1.00 0.00 H new ATOM 353 N GLY A 28 -15.596 26.695 -11.062 1.00 0.00 N ATOM 354 CA GLY A 28 -14.625 26.076 -10.193 1.00 0.00 C ATOM 355 C GLY A 28 -13.194 26.245 -10.676 1.00 0.00 C ATOM 356 O GLY A 28 -12.786 27.342 -11.074 1.00 0.00 O ATOM 0 H GLY A 28 -15.624 26.317 -12.009 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -14.717 26.503 -9.194 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -14.849 25.013 -10.107 1.00 0.00 H new ATOM 360 N GLU A 29 -12.444 25.151 -10.643 1.00 0.00 N ATOM 361 CA GLU A 29 -11.031 25.139 -11.012 1.00 0.00 C ATOM 362 C GLU A 29 -10.833 25.239 -12.521 1.00 0.00 C ATOM 363 O GLU A 29 -11.800 25.240 -13.293 1.00 0.00 O ATOM 364 CB GLU A 29 -10.387 23.849 -10.526 1.00 0.00 C ATOM 365 CG GLU A 29 -10.953 22.618 -11.213 1.00 0.00 C ATOM 366 CD GLU A 29 -10.197 21.360 -10.895 1.00 0.00 C ATOM 367 OE1 GLU A 29 -8.949 21.379 -10.944 1.00 0.00 O ATOM 368 OE2 GLU A 29 -10.846 20.338 -10.628 1.00 0.00 O ATOM 0 H GLU A 29 -12.800 24.239 -10.357 1.00 0.00 H new ATOM 0 HA GLU A 29 -10.566 26.007 -10.544 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -9.312 23.896 -10.700 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -10.532 23.758 -9.449 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -11.995 22.492 -10.918 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.944 22.776 -12.291 1.00 0.00 H new ATOM 375 N GLY A 30 -9.561 25.301 -12.927 1.00 0.00 N ATOM 376 CA GLY A 30 -9.207 25.363 -14.330 1.00 0.00 C ATOM 377 C GLY A 30 -9.738 26.601 -14.994 1.00 0.00 C ATOM 378 O GLY A 30 -10.057 26.592 -16.184 1.00 0.00 O ATOM 0 H GLY A 30 -8.763 25.309 -12.292 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.122 25.335 -14.431 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.597 24.483 -14.841 1.00 0.00 H new ATOM 382 N CYS A 31 -9.832 27.673 -14.239 1.00 0.00 N ATOM 383 CA CYS A 31 -10.371 28.882 -14.760 1.00 0.00 C ATOM 384 C CYS A 31 -9.411 30.054 -14.587 1.00 0.00 C ATOM 385 O CYS A 31 -8.750 30.463 -15.549 1.00 0.00 O ATOM 386 CB CYS A 31 -11.715 29.172 -14.111 1.00 0.00 C ATOM 387 SG CYS A 31 -12.566 30.577 -14.812 1.00 0.00 S ATOM 0 H CYS A 31 -9.539 27.719 -13.263 1.00 0.00 H new ATOM 0 HA CYS A 31 -10.518 28.753 -15.832 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -12.350 28.291 -14.204 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.564 29.345 -13.046 1.00 0.00 H new ATOM 0 HG CYS A 31 -11.786 31.177 -15.662 1.00 0.00 H new ATOM 392 N THR A 32 -9.326 30.585 -13.355 1.00 0.00 N ATOM 393 CA THR A 32 -8.477 31.746 -13.040 1.00 0.00 C ATOM 394 C THR A 32 -8.698 32.875 -14.051 1.00 0.00 C ATOM 395 O THR A 32 -7.756 33.537 -14.496 1.00 0.00 O ATOM 396 CB THR A 32 -6.971 31.363 -12.959 1.00 0.00 C ATOM 397 OG1 THR A 32 -6.510 30.821 -14.209 1.00 0.00 O ATOM 398 CG2 THR A 32 -6.760 30.336 -11.864 1.00 0.00 C ATOM 0 H THR A 32 -9.842 30.223 -12.553 1.00 0.00 H new ATOM 0 HA THR A 32 -8.773 32.103 -12.054 1.00 0.00 H new ATOM 0 HB THR A 32 -6.403 32.266 -12.737 1.00 0.00 H new ATOM 0 HG1 THR A 32 -7.188 30.970 -14.900 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.704 30.072 -11.812 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.077 30.753 -10.908 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.347 29.444 -12.084 1.00 0.00 H new ATOM 406 N CYS A 33 -9.966 33.071 -14.398 1.00 0.00 N ATOM 407 CA CYS A 33 -10.390 34.071 -15.363 1.00 0.00 C ATOM 408 C CYS A 33 -9.893 35.470 -15.009 1.00 0.00 C ATOM 409 O CYS A 33 -9.602 35.768 -13.858 1.00 0.00 O ATOM 410 CB CYS A 33 -11.906 34.072 -15.443 1.00 0.00 C ATOM 411 SG CYS A 33 -12.580 33.439 -16.986 1.00 0.00 S ATOM 0 H CYS A 33 -10.738 32.529 -14.009 1.00 0.00 H new ATOM 0 HA CYS A 33 -9.954 33.809 -16.327 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.300 33.476 -14.619 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.263 35.092 -15.298 1.00 0.00 H new ATOM 0 HG CYS A 33 -13.739 33.983 -17.209 1.00 0.00 H new ATOM 416 N ALA A 34 -9.819 36.325 -16.005 1.00 0.00 N ATOM 417 CA ALA A 34 -9.365 37.691 -15.811 1.00 0.00 C ATOM 418 C ALA A 34 -10.552 38.622 -15.624 1.00 0.00 C ATOM 419 O ALA A 34 -10.450 39.834 -15.809 1.00 0.00 O ATOM 420 CB ALA A 34 -8.515 38.134 -16.993 1.00 0.00 C ATOM 0 H ALA A 34 -10.069 36.099 -16.968 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.753 37.733 -14.910 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -8.180 39.159 -16.836 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.648 37.479 -17.084 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.107 38.081 -17.907 1.00 0.00 H new ATOM 426 N ALA A 35 -11.675 38.048 -15.240 1.00 0.00 N ATOM 427 CA ALA A 35 -12.886 38.807 -15.029 1.00 0.00 C ATOM 428 C ALA A 35 -13.510 38.444 -13.700 1.00 0.00 C ATOM 429 O ALA A 35 -13.608 39.271 -12.795 1.00 0.00 O ATOM 430 CB ALA A 35 -13.874 38.561 -16.168 1.00 0.00 C ATOM 0 H ALA A 35 -11.771 37.047 -15.067 1.00 0.00 H new ATOM 0 HA ALA A 35 -12.633 39.867 -15.014 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.781 39.140 -15.994 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.424 38.867 -17.112 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.123 37.501 -16.211 1.00 0.00 H new ATOM 436 N CYS A 36 -13.920 37.204 -13.584 1.00 0.00 N ATOM 437 CA CYS A 36 -14.551 36.717 -12.380 1.00 0.00 C ATOM 438 C CYS A 36 -13.530 36.313 -11.317 1.00 0.00 C ATOM 439 O CYS A 36 -13.656 36.678 -10.148 1.00 0.00 O ATOM 440 CB CYS A 36 -15.399 35.511 -12.730 1.00 0.00 C ATOM 441 SG CYS A 36 -14.453 34.145 -13.450 1.00 0.00 S ATOM 0 H CYS A 36 -13.826 36.504 -14.320 1.00 0.00 H new ATOM 0 HA CYS A 36 -15.159 37.523 -11.968 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.903 35.158 -11.830 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -16.175 35.814 -13.432 1.00 0.00 H new ATOM 0 HG CYS A 36 -15.202 33.493 -14.289 1.00 0.00 H new ATOM 446 N LYS A 37 -12.507 35.592 -11.735 1.00 0.00 N ATOM 447 CA LYS A 37 -11.587 34.981 -10.800 1.00 0.00 C ATOM 448 C LYS A 37 -10.172 35.491 -10.975 1.00 0.00 C ATOM 449 O LYS A 37 -9.219 34.712 -11.073 1.00 0.00 O ATOM 450 CB LYS A 37 -11.646 33.466 -10.984 1.00 0.00 C ATOM 451 CG LYS A 37 -11.162 32.660 -9.795 1.00 0.00 C ATOM 452 CD LYS A 37 -11.554 31.196 -9.936 1.00 0.00 C ATOM 453 CE LYS A 37 -13.050 31.056 -10.213 1.00 0.00 C ATOM 454 NZ LYS A 37 -13.552 29.694 -9.922 1.00 0.00 N ATOM 0 H LYS A 37 -12.294 35.416 -12.717 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.886 35.249 -9.786 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -12.675 33.181 -11.203 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -11.048 33.197 -11.855 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -10.079 32.744 -9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -11.586 33.068 -8.877 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.986 30.740 -10.747 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -11.297 30.657 -9.024 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -13.598 31.779 -9.609 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -13.248 31.298 -11.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -14.497 29.575 -10.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -12.903 28.991 -10.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -13.610 29.558 -8.893 1.00 0.00 H new ATOM 468 N THR A 38 -10.030 36.787 -10.993 1.00 0.00 N ATOM 469 CA THR A 38 -8.732 37.387 -11.132 1.00 0.00 C ATOM 470 C THR A 38 -8.195 37.779 -9.755 1.00 0.00 C ATOM 471 O THR A 38 -8.951 37.843 -8.782 1.00 0.00 O ATOM 472 CB THR A 38 -8.769 38.620 -12.075 1.00 0.00 C ATOM 473 OG1 THR A 38 -7.436 39.016 -12.419 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.499 39.791 -11.425 1.00 0.00 C ATOM 0 H THR A 38 -10.800 37.451 -10.913 1.00 0.00 H new ATOM 0 HA THR A 38 -8.064 36.654 -11.584 1.00 0.00 H new ATOM 0 HB THR A 38 -9.310 38.336 -12.977 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.469 39.793 -13.015 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.508 40.639 -12.110 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.524 39.499 -11.195 1.00 0.00 H new ATOM 0 HG23 THR A 38 -8.987 40.073 -10.505 1.00 0.00 H new ATOM 482 N CYS A 39 -6.903 38.010 -9.667 1.00 0.00 N ATOM 483 CA CYS A 39 -6.298 38.399 -8.414 1.00 0.00 C ATOM 484 C CYS A 39 -6.193 39.907 -8.335 1.00 0.00 C ATOM 485 O CYS A 39 -5.892 40.571 -9.331 1.00 0.00 O ATOM 486 CB CYS A 39 -4.919 37.760 -8.249 1.00 0.00 C ATOM 487 SG CYS A 39 -4.077 38.192 -6.708 1.00 0.00 S ATOM 0 H CYS A 39 -6.252 37.935 -10.449 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.933 38.044 -7.602 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -5.025 36.676 -8.300 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.291 38.058 -9.088 1.00 0.00 H new ATOM 0 HG CYS A 39 -4.700 37.646 -5.706 1.00 0.00 H new ATOM 492 N ASN A 40 -6.448 40.446 -7.162 1.00 0.00 N ATOM 493 CA ASN A 40 -6.398 41.881 -6.966 1.00 0.00 C ATOM 494 C ASN A 40 -5.085 42.293 -6.328 1.00 0.00 C ATOM 495 O ASN A 40 -4.850 43.476 -6.072 1.00 0.00 O ATOM 496 CB ASN A 40 -7.590 42.361 -6.133 1.00 0.00 C ATOM 497 CG ASN A 40 -8.898 42.312 -6.912 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.273 43.279 -7.583 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.594 41.188 -6.844 1.00 0.00 N ATOM 0 H ASN A 40 -6.692 39.912 -6.328 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.460 42.359 -7.944 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -7.679 41.743 -5.240 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.408 43.382 -5.797 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.472 41.100 -7.356 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.253 40.410 -6.279 1.00 0.00 H new ATOM 506 N CYS A 41 -4.232 41.317 -6.078 1.00 0.00 N ATOM 507 CA CYS A 41 -2.927 41.572 -5.513 1.00 0.00 C ATOM 508 C CYS A 41 -1.961 41.971 -6.614 1.00 0.00 C ATOM 509 O CYS A 41 -2.006 41.425 -7.721 1.00 0.00 O ATOM 510 CB CYS A 41 -2.414 40.328 -4.792 1.00 0.00 C ATOM 511 SG CYS A 41 -3.521 39.722 -3.499 1.00 0.00 S ATOM 0 H CYS A 41 -4.426 40.332 -6.261 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.004 42.387 -4.793 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.257 39.535 -5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.443 40.551 -4.350 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.278 38.465 -3.274 1.00 0.00 H new ATOM 516 N THR A 42 -1.102 42.917 -6.324 1.00 0.00 N ATOM 517 CA THR A 42 -0.156 43.390 -7.299 1.00 0.00 C ATOM 518 C THR A 42 1.201 42.755 -7.048 1.00 0.00 C ATOM 519 O THR A 42 1.439 42.197 -5.981 1.00 0.00 O ATOM 520 CB THR A 42 -0.023 44.932 -7.246 1.00 0.00 C ATOM 521 OG1 THR A 42 0.537 45.334 -5.988 1.00 0.00 O ATOM 522 CG2 THR A 42 -1.386 45.590 -7.416 1.00 0.00 C ATOM 0 H THR A 42 -1.040 43.375 -5.415 1.00 0.00 H new ATOM 0 HA THR A 42 -0.518 43.109 -8.288 1.00 0.00 H new ATOM 0 HB THR A 42 0.633 45.247 -8.058 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.619 46.310 -5.963 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.274 46.674 -7.376 1.00 0.00 H new ATOM 0 HG22 THR A 42 -1.811 45.304 -8.378 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.050 45.264 -6.615 1.00 0.00 H new ATOM 530 N SER A 43 2.081 42.844 -8.022 1.00 0.00 N ATOM 531 CA SER A 43 3.425 42.302 -7.903 1.00 0.00 C ATOM 532 C SER A 43 4.247 43.118 -6.899 1.00 0.00 C ATOM 533 O SER A 43 5.352 42.729 -6.508 1.00 0.00 O ATOM 534 CB SER A 43 4.101 42.306 -9.273 1.00 0.00 C ATOM 535 OG SER A 43 3.235 41.759 -10.262 1.00 0.00 O ATOM 0 H SER A 43 1.889 43.292 -8.918 1.00 0.00 H new ATOM 0 HA SER A 43 3.364 41.277 -7.538 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.375 43.325 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.024 41.728 -9.231 1.00 0.00 H new ATOM 0 HG SER A 43 3.684 41.771 -11.133 1.00 0.00 H new ATOM 541 N ASP A 44 3.694 44.244 -6.486 1.00 0.00 N ATOM 542 CA ASP A 44 4.343 45.117 -5.531 1.00 0.00 C ATOM 543 C ASP A 44 3.786 44.902 -4.127 1.00 0.00 C ATOM 544 O ASP A 44 4.514 45.003 -3.137 1.00 0.00 O ATOM 545 CB ASP A 44 4.166 46.578 -5.950 1.00 0.00 C ATOM 546 CG ASP A 44 4.614 47.551 -4.881 1.00 0.00 C ATOM 547 OD1 ASP A 44 5.832 47.701 -4.681 1.00 0.00 O ATOM 548 OD2 ASP A 44 3.739 48.175 -4.238 1.00 0.00 O ATOM 0 H ASP A 44 2.784 44.577 -6.804 1.00 0.00 H new ATOM 0 HA ASP A 44 5.406 44.876 -5.516 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.733 46.761 -6.863 1.00 0.00 H new ATOM 0 HB3 ASP A 44 3.117 46.760 -6.184 1.00 0.00 H new ATOM 553 N GLY A 45 2.510 44.571 -4.044 1.00 0.00 N ATOM 554 CA GLY A 45 1.885 44.408 -2.759 1.00 0.00 C ATOM 555 C GLY A 45 0.761 43.403 -2.778 1.00 0.00 C ATOM 556 O GLY A 45 -0.146 43.477 -3.616 1.00 0.00 O ATOM 0 H GLY A 45 1.899 44.413 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 45 2.635 44.094 -2.033 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.500 45.371 -2.423 1.00 0.00 H new ATOM 560 N CYS A 46 0.821 42.465 -1.863 1.00 0.00 N ATOM 561 CA CYS A 46 -0.193 41.444 -1.741 1.00 0.00 C ATOM 562 C CYS A 46 -1.397 42.005 -0.982 1.00 0.00 C ATOM 563 O CYS A 46 -1.241 42.651 0.052 1.00 0.00 O ATOM 564 CB CYS A 46 0.382 40.224 -1.020 1.00 0.00 C ATOM 565 SG CYS A 46 -0.554 38.703 -1.273 1.00 0.00 S ATOM 0 H CYS A 46 1.575 42.388 -1.181 1.00 0.00 H new ATOM 0 HA CYS A 46 -0.520 41.134 -2.733 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.407 40.067 -1.357 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.427 40.436 0.048 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.589 38.949 -2.021 1.00 0.00 H new ATOM 570 N LYS A 47 -2.590 41.760 -1.494 1.00 0.00 N ATOM 571 CA LYS A 47 -3.803 42.318 -0.903 1.00 0.00 C ATOM 572 C LYS A 47 -4.533 41.325 -0.001 1.00 0.00 C ATOM 573 O LYS A 47 -5.282 41.731 0.889 1.00 0.00 O ATOM 574 CB LYS A 47 -4.745 42.830 -1.998 1.00 0.00 C ATOM 575 CG LYS A 47 -4.192 44.011 -2.785 1.00 0.00 C ATOM 576 CD LYS A 47 -3.991 45.223 -1.891 1.00 0.00 C ATOM 577 CE LYS A 47 -3.458 46.411 -2.669 1.00 0.00 C ATOM 578 NZ LYS A 47 -3.331 47.615 -1.810 1.00 0.00 N ATOM 0 H LYS A 47 -2.749 41.179 -2.317 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.491 43.151 -0.273 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.961 42.015 -2.689 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.692 43.121 -1.543 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.243 43.733 -3.244 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.876 44.263 -3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -4.938 45.490 -1.422 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.297 44.972 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -2.485 46.162 -3.093 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.124 46.628 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -2.964 48.407 -2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.264 47.867 -1.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.676 47.415 -1.027 1.00 0.00 H new ATOM 592 N CYS A 48 -4.340 40.041 -0.229 1.00 0.00 N ATOM 593 CA CYS A 48 -5.007 39.040 0.597 1.00 0.00 C ATOM 594 C CYS A 48 -4.109 38.616 1.756 1.00 0.00 C ATOM 595 O CYS A 48 -4.582 38.337 2.867 1.00 0.00 O ATOM 596 CB CYS A 48 -5.391 37.828 -0.238 1.00 0.00 C ATOM 597 SG CYS A 48 -3.983 36.879 -0.820 1.00 0.00 S ATOM 0 H CYS A 48 -3.740 39.666 -0.963 1.00 0.00 H new ATOM 0 HA CYS A 48 -5.915 39.485 1.004 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -6.036 37.179 0.354 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.975 38.159 -1.097 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.960 37.667 -0.968 1.00 0.00 H new ATOM 602 N GLY A 49 -2.813 38.565 1.491 1.00 0.00 N ATOM 603 CA GLY A 49 -1.866 38.201 2.510 1.00 0.00 C ATOM 604 C GLY A 49 -1.234 36.847 2.271 1.00 0.00 C ATOM 605 O GLY A 49 -0.366 36.422 3.033 1.00 0.00 O ATOM 0 H GLY A 49 -2.403 38.772 0.580 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.083 38.958 2.558 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.366 38.197 3.479 1.00 0.00 H new ATOM 609 N LYS A 50 -1.653 36.164 1.210 1.00 0.00 N ATOM 610 CA LYS A 50 -1.092 34.850 0.878 1.00 0.00 C ATOM 611 C LYS A 50 0.263 35.005 0.203 1.00 0.00 C ATOM 612 O LYS A 50 0.964 34.024 -0.046 1.00 0.00 O ATOM 613 CB LYS A 50 -2.041 34.064 -0.033 1.00 0.00 C ATOM 614 CG LYS A 50 -3.404 33.787 0.581 1.00 0.00 C ATOM 615 CD LYS A 50 -3.281 33.022 1.884 1.00 0.00 C ATOM 616 CE LYS A 50 -4.644 32.726 2.478 1.00 0.00 C ATOM 617 NZ LYS A 50 -4.539 32.002 3.767 1.00 0.00 N ATOM 0 H LYS A 50 -2.374 36.492 0.567 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.965 34.295 1.807 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.179 34.619 -0.961 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.573 33.115 -0.295 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.923 34.729 0.759 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.011 33.216 -0.121 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.746 32.088 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.690 33.601 2.594 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.185 33.660 2.629 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.226 32.131 1.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.492 31.818 4.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.045 31.099 3.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.006 32.580 4.447 1.00 0.00 H new ATOM 631 N GLU A 51 0.613 36.253 -0.093 1.00 0.00 N ATOM 632 CA GLU A 51 1.873 36.606 -0.733 1.00 0.00 C ATOM 633 C GLU A 51 1.935 36.009 -2.143 1.00 0.00 C ATOM 634 O GLU A 51 2.998 35.635 -2.641 1.00 0.00 O ATOM 635 CB GLU A 51 3.062 36.166 0.137 1.00 0.00 C ATOM 636 CG GLU A 51 4.378 36.821 -0.242 1.00 0.00 C ATOM 637 CD GLU A 51 5.471 36.541 0.757 1.00 0.00 C ATOM 638 OE1 GLU A 51 6.236 35.573 0.554 1.00 0.00 O ATOM 639 OE2 GLU A 51 5.566 37.279 1.759 1.00 0.00 O ATOM 0 H GLU A 51 0.020 37.058 0.108 1.00 0.00 H new ATOM 0 HA GLU A 51 1.934 37.690 -0.833 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.841 36.395 1.180 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.172 35.084 0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.688 36.464 -1.224 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.233 37.898 -0.325 1.00 0.00 H new ATOM 646 N CYS A 52 0.775 35.938 -2.778 1.00 0.00 N ATOM 647 CA CYS A 52 0.659 35.434 -4.131 1.00 0.00 C ATOM 648 C CYS A 52 1.170 36.468 -5.120 1.00 0.00 C ATOM 649 O CYS A 52 1.994 36.161 -5.989 1.00 0.00 O ATOM 650 CB CYS A 52 -0.798 35.094 -4.425 1.00 0.00 C ATOM 651 SG CYS A 52 -1.967 36.349 -3.853 1.00 0.00 S ATOM 0 H CYS A 52 -0.111 36.229 -2.366 1.00 0.00 H new ATOM 0 HA CYS A 52 1.263 34.532 -4.232 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.921 34.959 -5.500 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -1.042 34.142 -3.954 1.00 0.00 H new ATOM 0 HG CYS A 52 -2.399 36.032 -2.669 1.00 0.00 H new ATOM 656 N THR A 53 0.689 37.699 -4.954 1.00 0.00 N ATOM 657 CA THR A 53 1.064 38.839 -5.784 1.00 0.00 C ATOM 658 C THR A 53 0.943 38.538 -7.277 1.00 0.00 C ATOM 659 O THR A 53 1.938 38.282 -7.966 1.00 0.00 O ATOM 660 CB THR A 53 2.475 39.387 -5.440 1.00 0.00 C ATOM 661 OG1 THR A 53 3.463 38.348 -5.542 1.00 0.00 O ATOM 662 CG2 THR A 53 2.490 39.953 -4.031 1.00 0.00 C ATOM 0 H THR A 53 0.016 37.935 -4.225 1.00 0.00 H new ATOM 0 HA THR A 53 0.345 39.624 -5.550 1.00 0.00 H new ATOM 0 HB THR A 53 2.713 40.176 -6.153 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.107 37.609 -6.079 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.485 40.334 -3.802 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.765 40.764 -3.957 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.230 39.168 -3.321 1.00 0.00 H new ATOM 670 N GLY A 54 -0.283 38.535 -7.757 1.00 0.00 N ATOM 671 CA GLY A 54 -0.527 38.285 -9.150 1.00 0.00 C ATOM 672 C GLY A 54 -1.271 36.988 -9.363 1.00 0.00 C ATOM 673 O GLY A 54 -0.969 35.989 -8.712 1.00 0.00 O ATOM 0 H GLY A 54 -1.120 38.703 -7.199 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.103 39.108 -9.572 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.422 38.252 -9.686 1.00 0.00 H new ATOM 677 N PRO A 55 -2.249 36.966 -10.286 1.00 0.00 N ATOM 678 CA PRO A 55 -3.064 35.772 -10.554 1.00 0.00 C ATOM 679 C PRO A 55 -2.231 34.597 -11.062 1.00 0.00 C ATOM 680 O PRO A 55 -2.581 33.436 -10.847 1.00 0.00 O ATOM 681 CB PRO A 55 -4.050 36.235 -11.630 1.00 0.00 C ATOM 682 CG PRO A 55 -3.432 37.452 -12.228 1.00 0.00 C ATOM 683 CD PRO A 55 -2.635 38.100 -11.139 1.00 0.00 C ATOM 0 HA PRO A 55 -3.548 35.406 -9.649 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -4.204 35.461 -12.382 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.026 36.460 -11.200 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.794 37.189 -13.072 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -4.197 38.130 -12.606 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.763 38.622 -11.534 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -3.225 38.834 -10.590 1.00 0.00 H new ATOM 691 N ASP A 56 -1.123 34.910 -11.719 1.00 0.00 N ATOM 692 CA ASP A 56 -0.225 33.891 -12.255 1.00 0.00 C ATOM 693 C ASP A 56 0.369 33.039 -11.137 1.00 0.00 C ATOM 694 O ASP A 56 0.490 31.818 -11.266 1.00 0.00 O ATOM 695 CB ASP A 56 0.893 34.551 -13.064 1.00 0.00 C ATOM 696 CG ASP A 56 1.977 33.576 -13.468 1.00 0.00 C ATOM 697 OD1 ASP A 56 3.031 33.552 -12.807 1.00 0.00 O ATOM 698 OD2 ASP A 56 1.782 32.828 -14.443 1.00 0.00 O ATOM 0 H ASP A 56 -0.821 35.868 -11.896 1.00 0.00 H new ATOM 0 HA ASP A 56 -0.803 33.238 -12.908 1.00 0.00 H new ATOM 0 HB2 ASP A 56 0.468 35.006 -13.959 1.00 0.00 H new ATOM 0 HB3 ASP A 56 1.335 35.356 -12.476 1.00 0.00 H new ATOM 703 N SER A 57 0.708 33.688 -10.034 1.00 0.00 N ATOM 704 CA SER A 57 1.300 33.013 -8.891 1.00 0.00 C ATOM 705 C SER A 57 0.290 32.907 -7.751 1.00 0.00 C ATOM 706 O SER A 57 0.662 32.778 -6.580 1.00 0.00 O ATOM 707 CB SER A 57 2.539 33.784 -8.428 1.00 0.00 C ATOM 708 OG SER A 57 3.449 33.966 -9.505 1.00 0.00 O ATOM 0 H SER A 57 0.581 34.692 -9.907 1.00 0.00 H new ATOM 0 HA SER A 57 1.591 32.005 -9.186 1.00 0.00 H new ATOM 0 HB2 SER A 57 2.242 34.754 -8.029 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.029 33.243 -7.619 1.00 0.00 H new ATOM 0 HG SER A 57 4.233 34.462 -9.190 1.00 0.00 H new ATOM 714 N CYS A 58 -0.985 32.947 -8.103 1.00 0.00 N ATOM 715 CA CYS A 58 -2.045 32.894 -7.123 1.00 0.00 C ATOM 716 C CYS A 58 -2.225 31.479 -6.600 1.00 0.00 C ATOM 717 O CYS A 58 -2.303 30.524 -7.372 1.00 0.00 O ATOM 718 CB CYS A 58 -3.343 33.404 -7.729 1.00 0.00 C ATOM 719 SG CYS A 58 -4.328 34.430 -6.619 1.00 0.00 S ATOM 0 H CYS A 58 -1.307 33.017 -9.068 1.00 0.00 H new ATOM 0 HA CYS A 58 -1.772 33.534 -6.284 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.111 33.979 -8.626 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -3.943 32.550 -8.044 1.00 0.00 H new ATOM 0 HG CYS A 58 -3.973 35.674 -6.749 1.00 0.00 H new ATOM 724 N LYS A 59 -2.285 31.350 -5.291 1.00 0.00 N ATOM 725 CA LYS A 59 -2.447 30.050 -4.653 1.00 0.00 C ATOM 726 C LYS A 59 -3.861 29.922 -4.107 1.00 0.00 C ATOM 727 O LYS A 59 -4.211 28.929 -3.467 1.00 0.00 O ATOM 728 CB LYS A 59 -1.447 29.903 -3.499 1.00 0.00 C ATOM 729 CG LYS A 59 -0.009 30.277 -3.845 1.00 0.00 C ATOM 730 CD LYS A 59 0.580 29.362 -4.906 1.00 0.00 C ATOM 731 CE LYS A 59 2.045 29.690 -5.158 1.00 0.00 C ATOM 732 NZ LYS A 59 2.674 28.745 -6.112 1.00 0.00 N ATOM 0 H LYS A 59 -2.224 32.133 -4.640 1.00 0.00 H new ATOM 0 HA LYS A 59 -2.264 29.269 -5.391 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.779 30.525 -2.668 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.465 28.870 -3.151 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.022 31.308 -4.198 1.00 0.00 H new ATOM 0 HG3 LYS A 59 0.604 30.230 -2.945 1.00 0.00 H new ATOM 0 HD2 LYS A 59 0.486 28.324 -4.589 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.016 29.464 -5.833 1.00 0.00 H new ATOM 0 HE2 LYS A 59 2.127 30.705 -5.547 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.589 29.666 -4.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 3.671 29.006 -6.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 2.620 27.779 -5.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 2.173 28.786 -7.022 1.00 0.00 H new ATOM 746 N CYS A 60 -4.662 30.928 -4.370 1.00 0.00 N ATOM 747 CA CYS A 60 -6.005 31.005 -3.836 1.00 0.00 C ATOM 748 C CYS A 60 -7.039 30.487 -4.825 1.00 0.00 C ATOM 749 O CYS A 60 -6.744 30.285 -6.007 1.00 0.00 O ATOM 750 CB CYS A 60 -6.301 32.447 -3.483 1.00 0.00 C ATOM 751 SG CYS A 60 -4.907 33.282 -2.709 1.00 0.00 S ATOM 0 H CYS A 60 -4.402 31.718 -4.961 1.00 0.00 H new ATOM 0 HA CYS A 60 -6.065 30.374 -2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -6.584 32.986 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -7.158 32.482 -2.810 1.00 0.00 H new ATOM 0 HG CYS A 60 -5.340 34.071 -1.771 1.00 0.00 H new ATOM 756 N GLY A 61 -8.252 30.275 -4.334 1.00 0.00 N ATOM 757 CA GLY A 61 -9.323 29.800 -5.174 1.00 0.00 C ATOM 758 C GLY A 61 -10.228 30.924 -5.640 1.00 0.00 C ATOM 759 O GLY A 61 -9.844 31.724 -6.494 1.00 0.00 O ATOM 0 H GLY A 61 -8.511 30.426 -3.359 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.903 29.291 -6.041 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -9.913 29.064 -4.627 1.00 0.00 H new ATOM 763 N SER A 62 -11.428 30.996 -5.077 1.00 0.00 N ATOM 764 CA SER A 62 -12.394 32.020 -5.470 1.00 0.00 C ATOM 765 C SER A 62 -12.994 32.726 -4.251 1.00 0.00 C ATOM 766 O SER A 62 -13.625 33.771 -4.379 1.00 0.00 O ATOM 767 CB SER A 62 -13.516 31.381 -6.285 1.00 0.00 C ATOM 768 OG SER A 62 -12.991 30.467 -7.229 1.00 0.00 O ATOM 0 H SER A 62 -11.757 30.361 -4.349 1.00 0.00 H new ATOM 0 HA SER A 62 -11.868 32.763 -6.070 1.00 0.00 H new ATOM 0 HB2 SER A 62 -14.208 30.866 -5.619 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.085 32.155 -6.799 1.00 0.00 H new ATOM 0 HG SER A 62 -13.222 29.553 -6.962 1.00 0.00 H new ATOM 774 N SER A 63 -12.777 32.165 -3.078 1.00 0.00 N ATOM 775 CA SER A 63 -13.372 32.698 -1.863 1.00 0.00 C ATOM 776 C SER A 63 -12.360 33.488 -1.034 1.00 0.00 C ATOM 777 O SER A 63 -12.562 33.699 0.158 1.00 0.00 O ATOM 778 CB SER A 63 -13.942 31.553 -1.031 1.00 0.00 C ATOM 779 OG SER A 63 -14.818 30.745 -1.806 1.00 0.00 O ATOM 0 H SER A 63 -12.194 31.340 -2.938 1.00 0.00 H new ATOM 0 HA SER A 63 -14.169 33.383 -2.151 1.00 0.00 H new ATOM 0 HB2 SER A 63 -13.128 30.942 -0.641 1.00 0.00 H new ATOM 0 HB3 SER A 63 -14.478 31.955 -0.172 1.00 0.00 H new ATOM 0 HG SER A 63 -15.169 30.017 -1.251 1.00 0.00 H new ATOM 785 N CYS A 64 -11.290 33.934 -1.664 1.00 0.00 N ATOM 786 CA CYS A 64 -10.270 34.690 -0.957 1.00 0.00 C ATOM 787 C CYS A 64 -10.480 36.195 -1.138 1.00 0.00 C ATOM 788 O CYS A 64 -11.225 36.627 -2.018 1.00 0.00 O ATOM 789 CB CYS A 64 -8.874 34.283 -1.426 1.00 0.00 C ATOM 790 SG CYS A 64 -7.534 35.005 -0.451 1.00 0.00 S ATOM 0 H CYS A 64 -11.104 33.788 -2.656 1.00 0.00 H new ATOM 0 HA CYS A 64 -10.357 34.461 0.105 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -8.792 33.197 -1.390 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -8.751 34.578 -2.468 1.00 0.00 H new ATOM 0 HG CYS A 64 -6.768 35.715 -1.225 1.00 0.00 H new ATOM 795 N SER A 65 -9.801 36.979 -0.312 1.00 0.00 N ATOM 796 CA SER A 65 -9.920 38.430 -0.327 1.00 0.00 C ATOM 797 C SER A 65 -9.424 39.041 -1.644 1.00 0.00 C ATOM 798 O SER A 65 -9.857 40.126 -2.030 1.00 0.00 O ATOM 799 CB SER A 65 -9.147 39.025 0.849 1.00 0.00 C ATOM 800 OG SER A 65 -9.558 38.437 2.074 1.00 0.00 O ATOM 0 H SER A 65 -9.150 36.625 0.389 1.00 0.00 H new ATOM 0 HA SER A 65 -10.979 38.673 -0.236 1.00 0.00 H new ATOM 0 HB2 SER A 65 -8.078 38.866 0.705 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.307 40.103 0.887 1.00 0.00 H new ATOM 0 HG SER A 65 -9.049 38.831 2.813 1.00 0.00 H new ATOM 806 N CYS A 66 -8.525 38.349 -2.340 1.00 0.00 N ATOM 807 CA CYS A 66 -8.002 38.868 -3.593 1.00 0.00 C ATOM 808 C CYS A 66 -8.860 38.412 -4.765 1.00 0.00 C ATOM 809 O CYS A 66 -8.465 38.541 -5.921 1.00 0.00 O ATOM 810 CB CYS A 66 -6.539 38.453 -3.797 1.00 0.00 C ATOM 811 SG CYS A 66 -6.248 36.669 -3.831 1.00 0.00 S ATOM 0 H CYS A 66 -8.151 37.442 -2.060 1.00 0.00 H new ATOM 0 HA CYS A 66 -8.037 39.956 -3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -6.183 38.882 -4.734 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.939 38.889 -2.998 1.00 0.00 H new ATOM 0 HG CYS A 66 -5.442 36.342 -2.864 1.00 0.00 H new ATOM 816 N LYS A 67 -10.041 37.891 -4.454 1.00 0.00 N ATOM 817 CA LYS A 67 -10.969 37.409 -5.468 1.00 0.00 C ATOM 818 C LYS A 67 -12.293 38.157 -5.376 1.00 0.00 C ATOM 819 O LYS A 67 -13.108 37.807 -4.476 1.00 0.00 O ATOM 820 CB LYS A 67 -11.202 35.906 -5.295 1.00 0.00 C ATOM 821 CG LYS A 67 -9.938 35.076 -5.406 1.00 0.00 C ATOM 822 CD LYS A 67 -9.408 35.062 -6.828 1.00 0.00 C ATOM 823 CE LYS A 67 -8.004 34.503 -6.882 1.00 0.00 C ATOM 824 NZ LYS A 67 -7.023 35.430 -6.275 1.00 0.00 N ATOM 0 H LYS A 67 -10.380 37.791 -3.497 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.535 37.590 -6.451 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.659 35.728 -4.321 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.915 35.569 -6.048 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -9.177 35.477 -4.736 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -10.141 34.055 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -10.065 34.463 -7.458 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -9.415 36.074 -7.232 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -7.973 33.547 -6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -7.729 34.309 -7.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.060 35.136 -6.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.196 36.395 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -7.123 35.412 -5.240 1.00 0.00 H new