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 180:sc= -2.64! USER MOD Set 1.2: A 41 CYS SG : rot 159:sc= -2.72! USER MOD Set 1.3: A 46 CYS SG : rot -8:sc= 1.01 USER MOD Set 1.4: A 48 CYS SG : rot -31:sc= -0.129 USER MOD Set 1.5: A 52 CYS SG : rot -13:sc= 0.552 USER MOD Set 1.6: A 58 CYS SG : rot 125:sc= 0.861 USER MOD Set 1.7: A 60 CYS SG : rot 150:sc= 0.0337 USER MOD Set 1.8: A 64 CYS SG : rot -119:sc= -0.302 USER MOD Set 1.9: A 66 CYS SG : rot 133:sc= -0.277 USER MOD Set 1.10: A 67 LYS NZ :NH3+ -175:sc= -0.124 (180deg=-1.56) USER MOD Set 2.1: A 10 CYS SG : rot 110:sc= -4.13! USER MOD Set 2.2: A 14 CYS SG : rot 85:sc= 0.251 USER MOD Set 2.3: A 19 CYS SG : rot 139:sc= -0.842 USER MOD Set 2.4: A 21 CYS SG : rot 180:sc= 0.0619 USER MOD Set 2.5: A 25 CYS SG : rot 180:sc= -0.417 USER MOD Set 2.6: A 27 CYS SG : rot 79:sc= 0.0925 USER MOD Set 2.7: A 31 CYS SG : rot 173:sc= -3.84! USER MOD Set 2.8: A 33 CYS SG : rot 148:sc= 0.4 USER MOD Set 2.9: A 36 CYS SG : rot 127:sc= -0.285 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -113:sc= 1.27 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= 0.0264 X(o=0.026,f=-0.05) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 168:sc=-0.00427 (180deg=-0.19) USER MOD Single : A 26 GLN : amide:sc= 0.703 K(o=0.7,f=0) USER MOD Single : A 32 THR OG1 : rot 20:sc= 0.901 USER MOD Single : A 37 LYS NZ :NH3+ -166:sc= -0.043 (180deg=-0.276) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0574 USER MOD Single : A 40 ASN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 42 THR OG1 : rot -17:sc= 0.698 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+ -166:sc= -0.0288 (180deg=-0.257) USER MOD Single : A 53 THR OG1 : rot 19:sc= 0.766 USER MOD Single : A 57 SER OG : rot -45:sc= 0.314 USER MOD Single : A 59 LYS NZ :NH3+ -167:sc= -0.0336 (180deg=-0.201) USER MOD Single : A 62 SER OG : rot 75:sc= 1.11 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 -18.304 22.533 -14.272 1.00 0.00 N ATOM 99 CA LYS A 9 -18.903 23.129 -13.081 1.00 0.00 C ATOM 100 C LYS A 9 -19.248 24.597 -13.295 1.00 0.00 C ATOM 101 O LYS A 9 -19.779 25.256 -12.398 1.00 0.00 O ATOM 102 CB LYS A 9 -17.973 22.979 -11.879 1.00 0.00 C ATOM 103 CG LYS A 9 -17.676 21.539 -11.508 1.00 0.00 C ATOM 104 CD LYS A 9 -18.952 20.763 -11.231 1.00 0.00 C ATOM 105 CE LYS A 9 -18.643 19.358 -10.773 1.00 0.00 C ATOM 106 NZ LYS A 9 -19.875 18.560 -10.545 1.00 0.00 N ATOM 0 HA LYS A 9 -19.831 22.593 -12.883 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -17.034 23.490 -12.092 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -18.421 23.480 -11.021 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.125 21.059 -12.317 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -17.035 21.514 -10.627 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -19.536 21.278 -10.468 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -19.564 20.729 -12.132 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -18.024 18.862 -11.520 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -18.062 19.397 -9.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -19.616 17.603 -10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -20.455 19.018 -9.813 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -20.418 18.499 -11.430 1.00 0.00 H new ATOM 120 N CYS A 10 -18.953 25.103 -14.474 1.00 0.00 N ATOM 121 CA CYS A 10 -19.234 26.482 -14.786 1.00 0.00 C ATOM 122 C CYS A 10 -20.672 26.674 -15.199 1.00 0.00 C ATOM 123 O CYS A 10 -21.265 25.821 -15.866 1.00 0.00 O ATOM 124 CB CYS A 10 -18.296 27.002 -15.863 1.00 0.00 C ATOM 125 SG CYS A 10 -16.576 27.063 -15.352 1.00 0.00 S ATOM 0 H CYS A 10 -18.518 24.576 -15.231 1.00 0.00 H new ATOM 0 HA CYS A 10 -19.066 27.060 -13.877 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -18.382 26.367 -16.745 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -18.614 28.002 -16.158 1.00 0.00 H new ATOM 0 HG CYS A 10 -15.902 26.152 -15.989 1.00 0.00 H new ATOM 130 N THR A 11 -21.228 27.793 -14.804 1.00 0.00 N ATOM 131 CA THR A 11 -22.590 28.109 -15.112 1.00 0.00 C ATOM 132 C THR A 11 -22.666 28.935 -16.387 1.00 0.00 C ATOM 133 O THR A 11 -21.635 29.250 -17.003 1.00 0.00 O ATOM 134 CB THR A 11 -23.242 28.889 -13.959 1.00 0.00 C ATOM 135 OG1 THR A 11 -22.513 30.106 -13.734 1.00 0.00 O ATOM 136 CG2 THR A 11 -23.235 28.059 -12.684 1.00 0.00 C ATOM 0 H THR A 11 -20.744 28.507 -14.260 1.00 0.00 H new ATOM 0 HA THR A 11 -23.129 27.172 -15.255 1.00 0.00 H new ATOM 0 HB THR A 11 -24.274 29.116 -14.229 1.00 0.00 H new ATOM 0 HG1 THR A 11 -22.070 30.065 -12.861 1.00 0.00 H new ATOM 0 HG21 THR A 11 -23.700 28.626 -11.878 1.00 0.00 H new ATOM 0 HG22 THR A 11 -23.792 27.137 -12.847 1.00 0.00 H new ATOM 0 HG23 THR A 11 -22.207 27.818 -12.412 1.00 0.00 H new ATOM 144 N SER A 12 -23.870 29.302 -16.768 1.00 0.00 N ATOM 145 CA SER A 12 -24.090 30.084 -17.961 1.00 0.00 C ATOM 146 C SER A 12 -23.494 31.491 -17.813 1.00 0.00 C ATOM 147 O SER A 12 -23.204 32.156 -18.803 1.00 0.00 O ATOM 148 CB SER A 12 -25.586 30.158 -18.247 1.00 0.00 C ATOM 149 OG SER A 12 -26.177 28.865 -18.147 1.00 0.00 O ATOM 0 H SER A 12 -24.722 29.066 -16.259 1.00 0.00 H new ATOM 0 HA SER A 12 -23.588 29.601 -18.800 1.00 0.00 H new ATOM 0 HB2 SER A 12 -26.064 30.838 -17.542 1.00 0.00 H new ATOM 0 HB3 SER A 12 -25.752 30.564 -19.245 1.00 0.00 H new ATOM 0 HG SER A 12 -27.137 28.929 -18.331 1.00 0.00 H new ATOM 155 N ALA A 13 -23.294 31.924 -16.565 1.00 0.00 N ATOM 156 CA ALA A 13 -22.735 33.241 -16.289 1.00 0.00 C ATOM 157 C ALA A 13 -21.266 33.307 -16.690 1.00 0.00 C ATOM 158 O ALA A 13 -20.832 34.257 -17.339 1.00 0.00 O ATOM 159 CB ALA A 13 -22.899 33.589 -14.818 1.00 0.00 C ATOM 0 H ALA A 13 -23.513 31.377 -15.732 1.00 0.00 H new ATOM 0 HA ALA A 13 -23.282 33.972 -16.885 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -22.476 34.576 -14.628 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -23.958 33.592 -14.561 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -22.380 32.849 -14.209 1.00 0.00 H new ATOM 165 N CYS A 14 -20.511 32.288 -16.314 1.00 0.00 N ATOM 166 CA CYS A 14 -19.085 32.228 -16.622 1.00 0.00 C ATOM 167 C CYS A 14 -18.876 32.054 -18.127 1.00 0.00 C ATOM 168 O CYS A 14 -17.908 32.557 -18.700 1.00 0.00 O ATOM 169 CB CYS A 14 -18.437 31.068 -15.853 1.00 0.00 C ATOM 170 SG CYS A 14 -16.623 31.041 -15.874 1.00 0.00 S ATOM 0 H CYS A 14 -20.861 31.485 -15.792 1.00 0.00 H new ATOM 0 HA CYS A 14 -18.614 33.162 -16.315 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -18.771 31.109 -14.816 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -18.803 30.129 -16.269 1.00 0.00 H new ATOM 0 HG CYS A 14 -16.167 31.816 -14.935 1.00 0.00 H new ATOM 175 N ARG A 15 -19.815 31.371 -18.768 1.00 0.00 N ATOM 176 CA ARG A 15 -19.731 31.104 -20.201 1.00 0.00 C ATOM 177 C ARG A 15 -20.406 32.198 -21.028 1.00 0.00 C ATOM 178 O ARG A 15 -20.582 32.049 -22.235 1.00 0.00 O ATOM 179 CB ARG A 15 -20.357 29.749 -20.529 1.00 0.00 C ATOM 180 CG ARG A 15 -19.703 28.573 -19.827 1.00 0.00 C ATOM 181 CD ARG A 15 -18.212 28.504 -20.122 1.00 0.00 C ATOM 182 NE ARG A 15 -17.611 27.288 -19.583 1.00 0.00 N ATOM 183 CZ ARG A 15 -16.332 27.164 -19.236 1.00 0.00 C ATOM 184 NH1 ARG A 15 -15.514 28.205 -19.302 1.00 0.00 N ATOM 185 NH2 ARG A 15 -15.878 25.998 -18.805 1.00 0.00 N ATOM 0 H ARG A 15 -20.647 30.990 -18.318 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.673 31.090 -20.464 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -21.413 29.775 -20.261 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -20.305 29.589 -21.606 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -19.858 28.658 -18.751 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.181 27.647 -20.146 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -18.052 28.542 -21.200 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -17.716 29.375 -19.695 1.00 0.00 H new ATOM 0 HE ARG A 15 -18.215 26.475 -19.464 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.863 29.109 -19.620 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.535 28.102 -19.034 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -16.508 25.198 -18.740 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.898 25.899 -18.538 1.00 0.00 H new ATOM 199 N SER A 16 -20.780 33.289 -20.384 1.00 0.00 N ATOM 200 CA SER A 16 -21.425 34.391 -21.079 1.00 0.00 C ATOM 201 C SER A 16 -20.364 35.294 -21.716 1.00 0.00 C ATOM 202 O SER A 16 -19.168 35.144 -21.442 1.00 0.00 O ATOM 203 CB SER A 16 -22.305 35.187 -20.103 1.00 0.00 C ATOM 204 OG SER A 16 -23.165 36.094 -20.787 1.00 0.00 O ATOM 0 H SER A 16 -20.649 33.437 -19.383 1.00 0.00 H new ATOM 0 HA SER A 16 -22.063 33.995 -21.869 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.903 34.497 -19.508 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.671 35.740 -19.410 1.00 0.00 H new ATOM 0 HG SER A 16 -23.711 36.582 -20.135 1.00 0.00 H new ATOM 210 N GLU A 17 -20.798 36.219 -22.561 1.00 0.00 N ATOM 211 CA GLU A 17 -19.886 37.130 -23.232 1.00 0.00 C ATOM 212 C GLU A 17 -20.196 38.590 -22.868 1.00 0.00 C ATOM 213 O GLU A 17 -21.199 39.145 -23.317 1.00 0.00 O ATOM 214 CB GLU A 17 -19.971 36.943 -24.751 1.00 0.00 C ATOM 215 CG GLU A 17 -19.464 35.595 -25.240 1.00 0.00 C ATOM 216 CD GLU A 17 -17.983 35.410 -24.997 1.00 0.00 C ATOM 217 OE1 GLU A 17 -17.176 35.986 -25.755 1.00 0.00 O ATOM 218 OE2 GLU A 17 -17.615 34.691 -24.051 1.00 0.00 O ATOM 0 H GLU A 17 -21.781 36.357 -22.798 1.00 0.00 H new ATOM 0 HA GLU A 17 -18.874 36.900 -22.898 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -21.008 37.064 -25.064 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -19.397 37.733 -25.236 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -20.014 34.800 -24.737 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.669 35.499 -26.306 1.00 0.00 H new ATOM 225 N PRO A 18 -19.364 39.227 -22.019 1.00 0.00 N ATOM 226 CA PRO A 18 -18.206 38.602 -21.395 1.00 0.00 C ATOM 227 C PRO A 18 -18.601 37.832 -20.140 1.00 0.00 C ATOM 228 O PRO A 18 -19.789 37.706 -19.829 1.00 0.00 O ATOM 229 CB PRO A 18 -17.304 39.794 -21.019 1.00 0.00 C ATOM 230 CG PRO A 18 -18.060 41.030 -21.409 1.00 0.00 C ATOM 231 CD PRO A 18 -19.488 40.619 -21.610 1.00 0.00 C ATOM 0 HA PRO A 18 -17.722 37.882 -22.055 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -17.083 39.793 -19.952 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -16.349 39.740 -21.542 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -17.982 41.792 -20.633 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -17.650 41.462 -22.322 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -20.072 40.722 -20.695 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -19.980 41.223 -22.372 1.00 0.00 H new ATOM 239 N CYS A 19 -17.611 37.340 -19.420 1.00 0.00 N ATOM 240 CA CYS A 19 -17.843 36.555 -18.218 1.00 0.00 C ATOM 241 C CYS A 19 -18.694 37.345 -17.215 1.00 0.00 C ATOM 242 O CYS A 19 -18.344 38.458 -16.825 1.00 0.00 O ATOM 243 CB CYS A 19 -16.504 36.164 -17.604 1.00 0.00 C ATOM 244 SG CYS A 19 -16.603 34.894 -16.339 1.00 0.00 S ATOM 0 H CYS A 19 -16.626 37.471 -19.649 1.00 0.00 H new ATOM 0 HA CYS A 19 -18.391 35.650 -18.479 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -15.843 35.816 -18.398 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -16.044 37.053 -17.172 1.00 0.00 H new ATOM 0 HG CYS A 19 -15.620 34.057 -16.487 1.00 0.00 H new ATOM 249 N GLN A 20 -19.821 36.769 -16.820 1.00 0.00 N ATOM 250 CA GLN A 20 -20.767 37.441 -15.928 1.00 0.00 C ATOM 251 C GLN A 20 -20.768 36.826 -14.549 1.00 0.00 C ATOM 252 O GLN A 20 -21.731 36.982 -13.796 1.00 0.00 O ATOM 253 CB GLN A 20 -22.168 37.361 -16.500 1.00 0.00 C ATOM 254 CG GLN A 20 -22.328 38.028 -17.840 1.00 0.00 C ATOM 255 CD GLN A 20 -22.056 39.515 -17.789 1.00 0.00 C ATOM 256 OE1 GLN A 20 -22.947 40.310 -17.508 1.00 0.00 O ATOM 257 NE2 GLN A 20 -20.836 39.903 -18.089 1.00 0.00 N ATOM 0 H GLN A 20 -20.107 35.832 -17.103 1.00 0.00 H new ATOM 0 HA GLN A 20 -20.452 38.481 -15.845 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -22.451 36.312 -16.593 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -22.863 37.817 -15.795 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -21.650 37.563 -18.556 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -23.341 37.861 -18.206 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -20.122 39.211 -18.317 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -20.603 40.896 -18.093 1.00 0.00 H new ATOM 266 N CYS A 21 -19.710 36.130 -14.219 1.00 0.00 N ATOM 267 CA CYS A 21 -19.603 35.496 -12.910 1.00 0.00 C ATOM 268 C CYS A 21 -19.657 36.532 -11.788 1.00 0.00 C ATOM 269 O CYS A 21 -20.224 36.278 -10.719 1.00 0.00 O ATOM 270 CB CYS A 21 -18.331 34.676 -12.813 1.00 0.00 C ATOM 271 SG CYS A 21 -18.621 32.909 -12.644 1.00 0.00 S ATOM 0 H CYS A 21 -18.907 35.982 -14.830 1.00 0.00 H new ATOM 0 HA CYS A 21 -20.456 34.828 -12.794 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -17.727 34.853 -13.703 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -17.750 35.023 -11.959 1.00 0.00 H new ATOM 0 HG CYS A 21 -17.482 32.287 -12.573 1.00 0.00 H new ATOM 276 N GLY A 22 -19.075 37.694 -12.042 1.00 0.00 N ATOM 277 CA GLY A 22 -19.094 38.763 -11.077 1.00 0.00 C ATOM 278 C GLY A 22 -18.088 38.570 -9.970 1.00 0.00 C ATOM 279 O GLY A 22 -17.243 37.673 -10.033 1.00 0.00 O ATOM 0 H GLY A 22 -18.586 37.913 -12.910 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -18.893 39.707 -11.584 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.092 38.839 -10.645 1.00 0.00 H new ATOM 283 N SER A 23 -18.189 39.397 -8.948 1.00 0.00 N ATOM 284 CA SER A 23 -17.278 39.342 -7.823 1.00 0.00 C ATOM 285 C SER A 23 -17.627 38.190 -6.882 1.00 0.00 C ATOM 286 O SER A 23 -16.847 37.847 -5.991 1.00 0.00 O ATOM 287 CB SER A 23 -17.304 40.669 -7.071 1.00 0.00 C ATOM 288 OG SER A 23 -17.017 41.747 -7.949 1.00 0.00 O ATOM 0 H SER A 23 -18.902 40.123 -8.874 1.00 0.00 H new ATOM 0 HA SER A 23 -16.273 39.165 -8.205 1.00 0.00 H new ATOM 0 HB2 SER A 23 -18.283 40.815 -6.615 1.00 0.00 H new ATOM 0 HB3 SER A 23 -16.575 40.649 -6.261 1.00 0.00 H new ATOM 0 HG SER A 23 -17.040 42.590 -7.450 1.00 0.00 H new ATOM 294 N LYS A 24 -18.795 37.595 -7.078 1.00 0.00 N ATOM 295 CA LYS A 24 -19.212 36.478 -6.247 1.00 0.00 C ATOM 296 C LYS A 24 -18.678 35.186 -6.810 1.00 0.00 C ATOM 297 O LYS A 24 -18.376 34.253 -6.065 1.00 0.00 O ATOM 298 CB LYS A 24 -20.735 36.391 -6.162 1.00 0.00 C ATOM 299 CG LYS A 24 -21.402 37.578 -5.500 1.00 0.00 C ATOM 300 CD LYS A 24 -22.905 37.373 -5.428 1.00 0.00 C ATOM 301 CE LYS A 24 -23.611 38.590 -4.869 1.00 0.00 C ATOM 302 NZ LYS A 24 -23.497 39.765 -5.769 1.00 0.00 N ATOM 0 H LYS A 24 -19.464 37.865 -7.799 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.812 36.642 -5.246 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -21.136 36.282 -7.170 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -21.003 35.488 -5.613 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -21.000 37.716 -4.496 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -21.180 38.486 -6.060 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -23.290 37.154 -6.424 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -23.124 36.507 -4.804 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -24.664 38.357 -4.710 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -23.189 38.838 -3.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -24.155 40.507 -5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -22.524 40.130 -5.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -23.733 39.482 -6.741 1.00 0.00 H new ATOM 316 N CYS A 25 -18.555 35.151 -8.138 1.00 0.00 N ATOM 317 CA CYS A 25 -18.124 33.972 -8.867 1.00 0.00 C ATOM 318 C CYS A 25 -19.168 32.880 -8.741 1.00 0.00 C ATOM 319 O CYS A 25 -19.322 32.244 -7.694 1.00 0.00 O ATOM 320 CB CYS A 25 -16.756 33.497 -8.409 1.00 0.00 C ATOM 321 SG CYS A 25 -15.939 32.456 -9.613 1.00 0.00 S ATOM 0 H CYS A 25 -18.755 35.952 -8.737 1.00 0.00 H new ATOM 0 HA CYS A 25 -18.023 34.234 -9.920 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -16.128 34.363 -8.200 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -16.863 32.947 -7.474 1.00 0.00 H new ATOM 0 HG CYS A 25 -14.778 32.091 -9.155 1.00 0.00 H new ATOM 326 N GLN A 26 -19.886 32.674 -9.809 1.00 0.00 N ATOM 327 CA GLN A 26 -21.008 31.770 -9.814 1.00 0.00 C ATOM 328 C GLN A 26 -20.726 30.524 -10.638 1.00 0.00 C ATOM 329 O GLN A 26 -21.636 29.924 -11.176 1.00 0.00 O ATOM 330 CB GLN A 26 -22.231 32.508 -10.355 1.00 0.00 C ATOM 331 CG GLN A 26 -22.634 33.708 -9.505 1.00 0.00 C ATOM 332 CD GLN A 26 -23.612 34.626 -10.205 1.00 0.00 C ATOM 333 OE1 GLN A 26 -24.825 34.436 -10.129 1.00 0.00 O ATOM 334 NE2 GLN A 26 -23.095 35.636 -10.876 1.00 0.00 N ATOM 0 H GLN A 26 -19.711 33.129 -10.705 1.00 0.00 H new ATOM 0 HA GLN A 26 -21.195 31.437 -8.793 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.024 32.844 -11.371 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -23.070 31.814 -10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -23.078 33.354 -8.574 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.741 34.273 -9.238 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -22.083 35.758 -10.914 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -23.707 36.295 -11.357 1.00 0.00 H new ATOM 343 N CYS A 27 -19.475 30.140 -10.726 1.00 0.00 N ATOM 344 CA CYS A 27 -19.096 28.948 -11.471 1.00 0.00 C ATOM 345 C CYS A 27 -18.312 27.979 -10.575 1.00 0.00 C ATOM 346 O CYS A 27 -18.322 28.109 -9.344 1.00 0.00 O ATOM 347 CB CYS A 27 -18.251 29.338 -12.683 1.00 0.00 C ATOM 348 SG CYS A 27 -16.531 29.682 -12.305 1.00 0.00 S ATOM 0 H CYS A 27 -18.695 30.633 -10.292 1.00 0.00 H new ATOM 0 HA CYS A 27 -20.003 28.448 -11.812 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -18.296 28.533 -13.416 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -18.691 30.219 -13.150 1.00 0.00 H new ATOM 0 HG CYS A 27 -15.884 28.563 -12.172 1.00 0.00 H new ATOM 353 N GLY A 28 -17.647 27.015 -11.195 1.00 0.00 N ATOM 354 CA GLY A 28 -16.844 26.068 -10.461 1.00 0.00 C ATOM 355 C GLY A 28 -15.382 26.229 -10.797 1.00 0.00 C ATOM 356 O GLY A 28 -15.043 26.677 -11.891 1.00 0.00 O ATOM 0 H GLY A 28 -17.652 26.874 -12.205 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.993 26.211 -9.391 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -17.166 25.053 -10.695 1.00 0.00 H new ATOM 360 N GLU A 29 -14.510 25.850 -9.884 1.00 0.00 N ATOM 361 CA GLU A 29 -13.088 26.029 -10.096 1.00 0.00 C ATOM 362 C GLU A 29 -12.527 24.951 -11.004 1.00 0.00 C ATOM 363 O GLU A 29 -12.021 23.925 -10.548 1.00 0.00 O ATOM 364 CB GLU A 29 -12.321 26.068 -8.778 1.00 0.00 C ATOM 365 CG GLU A 29 -10.848 26.397 -8.945 1.00 0.00 C ATOM 366 CD GLU A 29 -10.097 26.366 -7.642 1.00 0.00 C ATOM 367 OE1 GLU A 29 -9.468 25.332 -7.342 1.00 0.00 O ATOM 368 OE2 GLU A 29 -10.134 27.374 -6.907 1.00 0.00 O ATOM 0 H GLU A 29 -14.759 25.419 -8.994 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.958 26.993 -10.587 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -12.779 26.809 -8.122 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -12.416 25.102 -8.283 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -10.397 25.686 -9.637 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -10.749 27.385 -9.394 1.00 0.00 H new ATOM 375 N GLY A 30 -12.656 25.177 -12.279 1.00 0.00 N ATOM 376 CA GLY A 30 -12.125 24.270 -13.257 1.00 0.00 C ATOM 377 C GLY A 30 -12.165 24.882 -14.619 1.00 0.00 C ATOM 378 O GLY A 30 -12.184 24.184 -15.627 1.00 0.00 O ATOM 0 H GLY A 30 -13.130 25.991 -12.670 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -11.098 24.010 -13.000 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -12.700 23.344 -13.252 1.00 0.00 H new ATOM 382 N CYS A 31 -12.181 26.201 -14.653 1.00 0.00 N ATOM 383 CA CYS A 31 -12.265 26.918 -15.904 1.00 0.00 C ATOM 384 C CYS A 31 -10.991 27.685 -16.193 1.00 0.00 C ATOM 385 O CYS A 31 -10.716 28.013 -17.349 1.00 0.00 O ATOM 386 CB CYS A 31 -13.427 27.898 -15.855 1.00 0.00 C ATOM 387 SG CYS A 31 -13.253 29.152 -14.565 1.00 0.00 S ATOM 0 H CYS A 31 -12.137 26.795 -13.825 1.00 0.00 H new ATOM 0 HA CYS A 31 -12.416 26.185 -16.697 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.517 28.392 -16.822 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -14.352 27.345 -15.692 1.00 0.00 H new ATOM 0 HG CYS A 31 -14.202 30.033 -14.685 1.00 0.00 H new ATOM 392 N THR A 32 -10.204 27.963 -15.139 1.00 0.00 N ATOM 393 CA THR A 32 -9.011 28.809 -15.250 1.00 0.00 C ATOM 394 C THR A 32 -9.356 30.105 -15.993 1.00 0.00 C ATOM 395 O THR A 32 -8.574 30.611 -16.803 1.00 0.00 O ATOM 396 CB THR A 32 -7.809 28.077 -15.938 1.00 0.00 C ATOM 397 OG1 THR A 32 -8.195 27.522 -17.204 1.00 0.00 O ATOM 398 CG2 THR A 32 -7.275 26.967 -15.045 1.00 0.00 C ATOM 0 H THR A 32 -10.377 27.610 -14.198 1.00 0.00 H new ATOM 0 HA THR A 32 -8.687 29.046 -14.237 1.00 0.00 H new ATOM 0 HB THR A 32 -7.027 28.818 -16.102 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.006 27.970 -17.524 1.00 0.00 H new ATOM 0 HG21 THR A 32 -6.441 26.471 -15.541 1.00 0.00 H new ATOM 0 HG22 THR A 32 -6.935 27.392 -14.100 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.066 26.242 -14.853 1.00 0.00 H new ATOM 406 N CYS A 33 -10.548 30.632 -15.694 1.00 0.00 N ATOM 407 CA CYS A 33 -11.066 31.812 -16.346 1.00 0.00 C ATOM 408 C CYS A 33 -10.230 33.031 -15.987 1.00 0.00 C ATOM 409 O CYS A 33 -9.666 33.107 -14.901 1.00 0.00 O ATOM 410 CB CYS A 33 -12.525 32.025 -15.941 1.00 0.00 C ATOM 411 SG CYS A 33 -13.534 32.835 -17.193 1.00 0.00 S ATOM 0 H CYS A 33 -11.173 30.242 -14.989 1.00 0.00 H new ATOM 0 HA CYS A 33 -11.014 31.672 -17.426 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -12.969 31.058 -15.704 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -12.553 32.620 -15.028 1.00 0.00 H new ATOM 0 HG CYS A 33 -14.757 32.403 -17.111 1.00 0.00 H new ATOM 416 N ALA A 34 -10.161 33.979 -16.898 1.00 0.00 N ATOM 417 CA ALA A 34 -9.351 35.171 -16.703 1.00 0.00 C ATOM 418 C ALA A 34 -10.218 36.375 -16.370 1.00 0.00 C ATOM 419 O ALA A 34 -9.806 37.522 -16.551 1.00 0.00 O ATOM 420 CB ALA A 34 -8.519 35.443 -17.948 1.00 0.00 C ATOM 0 H ALA A 34 -10.659 33.950 -17.788 1.00 0.00 H new ATOM 0 HA ALA A 34 -8.683 34.997 -15.859 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.915 36.337 -17.794 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -7.865 34.593 -18.142 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -9.180 35.594 -18.801 1.00 0.00 H new ATOM 426 N ALA A 35 -11.410 36.116 -15.863 1.00 0.00 N ATOM 427 CA ALA A 35 -12.325 37.184 -15.526 1.00 0.00 C ATOM 428 C ALA A 35 -12.792 37.068 -14.090 1.00 0.00 C ATOM 429 O ALA A 35 -12.599 37.983 -13.295 1.00 0.00 O ATOM 430 CB ALA A 35 -13.503 37.199 -16.479 1.00 0.00 C ATOM 0 H ALA A 35 -11.763 35.177 -15.677 1.00 0.00 H new ATOM 0 HA ALA A 35 -11.793 38.130 -15.627 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -14.180 38.010 -16.208 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -13.145 37.350 -17.497 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -14.033 36.248 -16.418 1.00 0.00 H new ATOM 436 N CYS A 36 -13.398 35.945 -13.753 1.00 0.00 N ATOM 437 CA CYS A 36 -13.864 35.730 -12.398 1.00 0.00 C ATOM 438 C CYS A 36 -12.727 35.220 -11.532 1.00 0.00 C ATOM 439 O CYS A 36 -12.514 35.690 -10.410 1.00 0.00 O ATOM 440 CB CYS A 36 -15.020 34.746 -12.389 1.00 0.00 C ATOM 441 SG CYS A 36 -14.696 33.230 -13.302 1.00 0.00 S ATOM 0 H CYS A 36 -13.578 35.173 -14.395 1.00 0.00 H new ATOM 0 HA CYS A 36 -14.215 36.678 -11.991 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -15.260 34.492 -11.356 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -15.900 35.231 -12.811 1.00 0.00 H new ATOM 0 HG CYS A 36 -14.942 32.205 -12.542 1.00 0.00 H new ATOM 446 N LYS A 37 -11.982 34.273 -12.074 1.00 0.00 N ATOM 447 CA LYS A 37 -10.857 33.701 -11.378 1.00 0.00 C ATOM 448 C LYS A 37 -9.609 34.544 -11.615 1.00 0.00 C ATOM 449 O LYS A 37 -8.803 34.260 -12.498 1.00 0.00 O ATOM 450 CB LYS A 37 -10.629 32.250 -11.820 1.00 0.00 C ATOM 451 CG LYS A 37 -9.532 31.535 -11.051 1.00 0.00 C ATOM 452 CD LYS A 37 -9.331 30.122 -11.557 1.00 0.00 C ATOM 453 CE LYS A 37 -8.214 29.420 -10.802 1.00 0.00 C ATOM 454 NZ LYS A 37 -6.900 30.082 -11.004 1.00 0.00 N ATOM 0 H LYS A 37 -12.143 33.885 -13.003 1.00 0.00 H new ATOM 0 HA LYS A 37 -11.072 33.697 -10.309 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -11.560 31.695 -11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -10.381 32.239 -12.881 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.599 32.092 -11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.786 31.511 -9.991 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -10.258 29.559 -11.447 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.096 30.144 -12.621 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.451 29.403 -9.738 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.151 28.383 -11.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -6.140 29.452 -10.677 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -6.767 30.289 -12.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.871 30.969 -10.462 1.00 0.00 H new ATOM 468 N THR A 38 -9.476 35.597 -10.845 1.00 0.00 N ATOM 469 CA THR A 38 -8.350 36.488 -10.970 1.00 0.00 C ATOM 470 C THR A 38 -7.920 36.976 -9.589 1.00 0.00 C ATOM 471 O THR A 38 -8.581 36.685 -8.592 1.00 0.00 O ATOM 472 CB THR A 38 -8.688 37.695 -11.887 1.00 0.00 C ATOM 473 OG1 THR A 38 -7.499 38.444 -12.184 1.00 0.00 O ATOM 474 CG2 THR A 38 -9.719 38.609 -11.232 1.00 0.00 C ATOM 0 H THR A 38 -10.142 35.859 -10.118 1.00 0.00 H new ATOM 0 HA THR A 38 -7.528 35.939 -11.430 1.00 0.00 H new ATOM 0 HB THR A 38 -9.109 37.304 -12.813 1.00 0.00 H new ATOM 0 HG1 THR A 38 -7.725 39.201 -12.764 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.937 39.446 -11.896 1.00 0.00 H new ATOM 0 HG22 THR A 38 -10.634 38.048 -11.042 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.323 38.987 -10.289 1.00 0.00 H new ATOM 482 N CYS A 39 -6.826 37.709 -9.533 1.00 0.00 N ATOM 483 CA CYS A 39 -6.312 38.195 -8.273 1.00 0.00 C ATOM 484 C CYS A 39 -6.397 39.713 -8.200 1.00 0.00 C ATOM 485 O CYS A 39 -6.232 40.411 -9.207 1.00 0.00 O ATOM 486 CB CYS A 39 -4.871 37.734 -8.070 1.00 0.00 C ATOM 487 SG CYS A 39 -4.157 38.230 -6.488 1.00 0.00 S ATOM 0 H CYS A 39 -6.277 37.980 -10.348 1.00 0.00 H new ATOM 0 HA CYS A 39 -6.927 37.780 -7.475 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.833 36.648 -8.149 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.256 38.134 -8.876 1.00 0.00 H new ATOM 0 HG CYS A 39 -2.936 37.792 -6.407 1.00 0.00 H new ATOM 492 N ASN A 40 -6.656 40.219 -7.011 1.00 0.00 N ATOM 493 CA ASN A 40 -6.765 41.653 -6.789 1.00 0.00 C ATOM 494 C ASN A 40 -5.503 42.198 -6.145 1.00 0.00 C ATOM 495 O ASN A 40 -5.350 43.408 -5.966 1.00 0.00 O ATOM 496 CB ASN A 40 -7.989 41.970 -5.922 1.00 0.00 C ATOM 497 CG ASN A 40 -9.286 41.949 -6.715 1.00 0.00 C ATOM 498 OD1 ASN A 40 -9.755 42.988 -7.183 1.00 0.00 O ATOM 499 ND2 ASN A 40 -9.865 40.774 -6.881 1.00 0.00 N ATOM 0 H ASN A 40 -6.797 39.654 -6.173 1.00 0.00 H new ATOM 0 HA ASN A 40 -6.890 42.138 -7.757 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -8.052 41.246 -5.110 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -7.862 42.951 -5.465 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -10.732 40.704 -7.413 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -9.445 39.937 -6.477 1.00 0.00 H new ATOM 506 N CYS A 41 -4.594 41.304 -5.813 1.00 0.00 N ATOM 507 CA CYS A 41 -3.346 41.682 -5.192 1.00 0.00 C ATOM 508 C CYS A 41 -2.381 42.234 -6.218 1.00 0.00 C ATOM 509 O CYS A 41 -2.426 41.861 -7.391 1.00 0.00 O ATOM 510 CB CYS A 41 -2.740 40.488 -4.481 1.00 0.00 C ATOM 511 SG CYS A 41 -3.841 39.758 -3.262 1.00 0.00 S ATOM 0 H CYS A 41 -4.701 40.301 -5.966 1.00 0.00 H new ATOM 0 HA CYS A 41 -3.545 42.465 -4.460 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.472 39.731 -5.218 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.817 40.796 -3.990 1.00 0.00 H new ATOM 0 HG CYS A 41 -3.471 38.535 -3.021 1.00 0.00 H new ATOM 516 N THR A 42 -1.513 43.116 -5.776 1.00 0.00 N ATOM 517 CA THR A 42 -0.559 43.747 -6.655 1.00 0.00 C ATOM 518 C THR A 42 0.854 43.469 -6.189 1.00 0.00 C ATOM 519 O THR A 42 1.056 42.971 -5.086 1.00 0.00 O ATOM 520 CB THR A 42 -0.788 45.267 -6.714 1.00 0.00 C ATOM 521 OG1 THR A 42 -0.716 45.823 -5.388 1.00 0.00 O ATOM 522 CG2 THR A 42 -2.145 45.576 -7.314 1.00 0.00 C ATOM 0 H THR A 42 -1.450 43.414 -4.802 1.00 0.00 H new ATOM 0 HA THR A 42 -0.699 43.330 -7.652 1.00 0.00 H new ATOM 0 HB THR A 42 -0.014 45.710 -7.341 1.00 0.00 H new ATOM 0 HG1 THR A 42 -0.814 45.106 -4.727 1.00 0.00 H new ATOM 0 HG21 THR A 42 -2.290 46.656 -7.348 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.197 45.171 -8.325 1.00 0.00 H new ATOM 0 HG23 THR A 42 -2.925 45.124 -6.701 1.00 0.00 H new ATOM 530 N SER A 43 1.822 43.804 -7.017 1.00 0.00 N ATOM 531 CA SER A 43 3.219 43.585 -6.692 1.00 0.00 C ATOM 532 C SER A 43 3.659 44.513 -5.560 1.00 0.00 C ATOM 533 O SER A 43 4.574 44.196 -4.792 1.00 0.00 O ATOM 534 CB SER A 43 4.078 43.812 -7.934 1.00 0.00 C ATOM 535 OG SER A 43 3.569 43.076 -9.044 1.00 0.00 O ATOM 0 H SER A 43 1.666 44.233 -7.929 1.00 0.00 H new ATOM 0 HA SER A 43 3.347 42.556 -6.355 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.101 44.874 -8.176 1.00 0.00 H new ATOM 0 HB3 SER A 43 5.105 43.509 -7.731 1.00 0.00 H new ATOM 0 HG SER A 43 4.133 43.237 -9.829 1.00 0.00 H new ATOM 541 N ASP A 44 2.992 45.648 -5.458 1.00 0.00 N ATOM 542 CA ASP A 44 3.290 46.629 -4.428 1.00 0.00 C ATOM 543 C ASP A 44 2.640 46.255 -3.105 1.00 0.00 C ATOM 544 O ASP A 44 3.206 46.487 -2.034 1.00 0.00 O ATOM 545 CB ASP A 44 2.814 48.012 -4.863 1.00 0.00 C ATOM 546 CG ASP A 44 3.086 49.072 -3.820 1.00 0.00 C ATOM 547 OD1 ASP A 44 2.129 49.527 -3.160 1.00 0.00 O ATOM 548 OD2 ASP A 44 4.261 49.461 -3.658 1.00 0.00 O ATOM 0 H ASP A 44 2.232 45.916 -6.083 1.00 0.00 H new ATOM 0 HA ASP A 44 4.371 46.646 -4.286 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.310 48.287 -5.794 1.00 0.00 H new ATOM 0 HB3 ASP A 44 1.744 47.976 -5.070 1.00 0.00 H new ATOM 553 N GLY A 45 1.467 45.656 -3.179 1.00 0.00 N ATOM 554 CA GLY A 45 0.748 45.319 -1.982 1.00 0.00 C ATOM 555 C GLY A 45 -0.183 44.152 -2.178 1.00 0.00 C ATOM 556 O GLY A 45 -0.949 44.104 -3.155 1.00 0.00 O ATOM 0 H GLY A 45 1.002 45.398 -4.049 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.458 45.084 -1.189 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.175 46.185 -1.650 1.00 0.00 H new ATOM 560 N CYS A 46 -0.115 43.210 -1.265 1.00 0.00 N ATOM 561 CA CYS A 46 -0.954 42.037 -1.307 1.00 0.00 C ATOM 562 C CYS A 46 -2.291 42.336 -0.619 1.00 0.00 C ATOM 563 O CYS A 46 -2.327 42.943 0.455 1.00 0.00 O ATOM 564 CB CYS A 46 -0.242 40.872 -0.622 1.00 0.00 C ATOM 565 SG CYS A 46 -0.799 39.242 -1.148 1.00 0.00 S ATOM 0 H CYS A 46 0.525 43.237 -0.471 1.00 0.00 H new ATOM 0 HA CYS A 46 -1.150 41.762 -2.343 1.00 0.00 H new ATOM 0 HB2 CYS A 46 0.828 40.955 -0.812 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -0.383 40.960 0.455 1.00 0.00 H new ATOM 0 HG CYS A 46 -1.848 39.366 -1.906 1.00 0.00 H new ATOM 570 N LYS A 47 -3.381 41.910 -1.235 1.00 0.00 N ATOM 571 CA LYS A 47 -4.718 42.192 -0.714 1.00 0.00 C ATOM 572 C LYS A 47 -5.238 41.070 0.176 1.00 0.00 C ATOM 573 O LYS A 47 -6.049 41.309 1.073 1.00 0.00 O ATOM 574 CB LYS A 47 -5.699 42.441 -1.864 1.00 0.00 C ATOM 575 CG LYS A 47 -5.421 43.709 -2.658 1.00 0.00 C ATOM 576 CD LYS A 47 -5.643 44.952 -1.815 1.00 0.00 C ATOM 577 CE LYS A 47 -5.388 46.218 -2.615 1.00 0.00 C ATOM 578 NZ LYS A 47 -5.637 47.438 -1.810 1.00 0.00 N ATOM 0 H LYS A 47 -3.371 41.366 -2.098 1.00 0.00 H new ATOM 0 HA LYS A 47 -4.639 43.090 -0.102 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.671 41.588 -2.542 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.710 42.493 -1.459 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.394 43.694 -3.022 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.069 43.741 -3.534 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.665 44.959 -1.437 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -4.982 44.928 -0.948 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.358 46.222 -2.971 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.030 46.227 -3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -5.452 48.281 -2.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.627 47.448 -1.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -5.007 47.443 -0.983 1.00 0.00 H new ATOM 592 N CYS A 48 -4.786 39.856 -0.067 1.00 0.00 N ATOM 593 CA CYS A 48 -5.252 38.724 0.715 1.00 0.00 C ATOM 594 C CYS A 48 -4.326 38.464 1.897 1.00 0.00 C ATOM 595 O CYS A 48 -4.759 37.976 2.939 1.00 0.00 O ATOM 596 CB CYS A 48 -5.334 37.486 -0.154 1.00 0.00 C ATOM 597 SG CYS A 48 -3.730 36.879 -0.664 1.00 0.00 S ATOM 0 H CYS A 48 -4.104 39.627 -0.791 1.00 0.00 H new ATOM 0 HA CYS A 48 -6.245 38.961 1.097 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -5.856 36.700 0.392 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -5.930 37.709 -1.039 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.905 37.877 -0.781 1.00 0.00 H new ATOM 602 N GLY A 49 -3.051 38.776 1.722 1.00 0.00 N ATOM 603 CA GLY A 49 -2.091 38.585 2.783 1.00 0.00 C ATOM 604 C GLY A 49 -1.298 37.299 2.637 1.00 0.00 C ATOM 605 O GLY A 49 -0.574 36.900 3.554 1.00 0.00 O ATOM 0 H GLY A 49 -2.665 39.160 0.859 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.403 39.430 2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -2.612 38.578 3.741 1.00 0.00 H new ATOM 609 N LYS A 50 -1.436 36.637 1.490 1.00 0.00 N ATOM 610 CA LYS A 50 -0.690 35.405 1.224 1.00 0.00 C ATOM 611 C LYS A 50 0.632 35.725 0.545 1.00 0.00 C ATOM 612 O LYS A 50 1.451 34.837 0.302 1.00 0.00 O ATOM 613 CB LYS A 50 -1.508 34.451 0.347 1.00 0.00 C ATOM 614 CG LYS A 50 -2.836 34.027 0.956 1.00 0.00 C ATOM 615 CD LYS A 50 -2.639 33.284 2.264 1.00 0.00 C ATOM 616 CE LYS A 50 -3.969 32.868 2.866 1.00 0.00 C ATOM 617 NZ LYS A 50 -4.823 34.039 3.185 1.00 0.00 N ATOM 0 H LYS A 50 -2.053 36.929 0.733 1.00 0.00 H new ATOM 0 HA LYS A 50 -0.492 34.916 2.178 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.698 34.931 -0.613 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.913 33.560 0.146 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.456 34.907 1.127 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.373 33.390 0.253 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.022 32.402 2.094 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -2.101 33.919 2.968 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.494 32.215 2.169 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.792 32.290 3.773 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.606 33.740 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.255 34.761 3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.208 34.438 2.305 1.00 0.00 H new ATOM 631 N GLU A 51 0.816 37.006 0.240 1.00 0.00 N ATOM 632 CA GLU A 51 2.020 37.519 -0.411 1.00 0.00 C ATOM 633 C GLU A 51 2.157 36.969 -1.840 1.00 0.00 C ATOM 634 O GLU A 51 3.259 36.869 -2.382 1.00 0.00 O ATOM 635 CB GLU A 51 3.280 37.221 0.427 1.00 0.00 C ATOM 636 CG GLU A 51 4.495 38.052 0.029 1.00 0.00 C ATOM 637 CD GLU A 51 5.713 37.756 0.872 1.00 0.00 C ATOM 638 OE1 GLU A 51 6.088 38.610 1.703 1.00 0.00 O ATOM 639 OE2 GLU A 51 6.309 36.669 0.706 1.00 0.00 O ATOM 0 H GLU A 51 0.124 37.728 0.440 1.00 0.00 H new ATOM 0 HA GLU A 51 1.921 38.602 -0.482 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.057 37.402 1.478 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.527 36.164 0.331 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.730 37.863 -1.019 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.249 39.110 0.115 1.00 0.00 H new ATOM 646 N CYS A 52 1.028 36.623 -2.451 1.00 0.00 N ATOM 647 CA CYS A 52 1.033 36.164 -3.829 1.00 0.00 C ATOM 648 C CYS A 52 1.438 37.311 -4.731 1.00 0.00 C ATOM 649 O CYS A 52 2.304 37.168 -5.593 1.00 0.00 O ATOM 650 CB CYS A 52 -0.343 35.641 -4.220 1.00 0.00 C ATOM 651 SG CYS A 52 -1.709 36.703 -3.723 1.00 0.00 S ATOM 0 H CYS A 52 0.106 36.652 -2.015 1.00 0.00 H new ATOM 0 HA CYS A 52 1.748 35.348 -3.937 1.00 0.00 H new ATOM 0 HB2 CYS A 52 -0.375 35.510 -5.302 1.00 0.00 H new ATOM 0 HB3 CYS A 52 -0.484 34.656 -3.775 1.00 0.00 H new ATOM 0 HG CYS A 52 -1.282 37.590 -2.874 1.00 0.00 H new ATOM 656 N THR A 53 0.816 38.460 -4.489 1.00 0.00 N ATOM 657 CA THR A 53 1.116 39.704 -5.183 1.00 0.00 C ATOM 658 C THR A 53 1.119 39.558 -6.711 1.00 0.00 C ATOM 659 O THR A 53 2.175 39.560 -7.352 1.00 0.00 O ATOM 660 CB THR A 53 2.449 40.333 -4.685 1.00 0.00 C ATOM 661 OG1 THR A 53 3.538 39.398 -4.815 1.00 0.00 O ATOM 662 CG2 THR A 53 2.321 40.754 -3.228 1.00 0.00 C ATOM 0 H THR A 53 0.077 38.553 -3.793 1.00 0.00 H new ATOM 0 HA THR A 53 0.301 40.385 -4.935 1.00 0.00 H new ATOM 0 HB THR A 53 2.658 41.208 -5.301 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.291 38.694 -5.450 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.261 41.193 -2.892 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.522 41.489 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 53 2.088 39.882 -2.616 1.00 0.00 H new ATOM 670 N GLY A 54 -0.064 39.414 -7.281 1.00 0.00 N ATOM 671 CA GLY A 54 -0.182 39.295 -8.715 1.00 0.00 C ATOM 672 C GLY A 54 -0.639 37.915 -9.130 1.00 0.00 C ATOM 673 O GLY A 54 -0.193 36.924 -8.562 1.00 0.00 O ATOM 0 H GLY A 54 -0.948 39.377 -6.774 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.889 40.038 -9.084 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.780 39.513 -9.178 1.00 0.00 H new ATOM 677 N PRO A 55 -1.526 37.817 -10.143 1.00 0.00 N ATOM 678 CA PRO A 55 -2.079 36.531 -10.608 1.00 0.00 C ATOM 679 C PRO A 55 -0.996 35.544 -11.052 1.00 0.00 C ATOM 680 O PRO A 55 -1.164 34.332 -10.933 1.00 0.00 O ATOM 681 CB PRO A 55 -2.971 36.923 -11.800 1.00 0.00 C ATOM 682 CG PRO A 55 -2.532 38.298 -12.180 1.00 0.00 C ATOM 683 CD PRO A 55 -2.062 38.949 -10.914 1.00 0.00 C ATOM 0 HA PRO A 55 -2.615 36.018 -9.810 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -2.848 36.227 -12.630 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -4.026 36.908 -11.525 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -1.732 38.261 -12.920 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -3.353 38.860 -12.626 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -1.300 39.704 -11.107 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -2.877 39.446 -10.388 1.00 0.00 H new ATOM 691 N ASP A 56 0.116 36.072 -11.542 1.00 0.00 N ATOM 692 CA ASP A 56 1.223 35.240 -12.007 1.00 0.00 C ATOM 693 C ASP A 56 1.831 34.433 -10.857 1.00 0.00 C ATOM 694 O ASP A 56 2.167 33.255 -11.015 1.00 0.00 O ATOM 695 CB ASP A 56 2.295 36.109 -12.665 1.00 0.00 C ATOM 696 CG ASP A 56 3.497 35.308 -13.112 1.00 0.00 C ATOM 697 OD1 ASP A 56 3.366 34.514 -14.063 1.00 0.00 O ATOM 698 OD2 ASP A 56 4.583 35.484 -12.523 1.00 0.00 O ATOM 0 H ASP A 56 0.279 37.075 -11.629 1.00 0.00 H new ATOM 0 HA ASP A 56 0.831 34.537 -12.742 1.00 0.00 H new ATOM 0 HB2 ASP A 56 1.864 36.622 -13.525 1.00 0.00 H new ATOM 0 HB3 ASP A 56 2.616 36.878 -11.963 1.00 0.00 H new ATOM 703 N SER A 57 1.936 35.058 -9.701 1.00 0.00 N ATOM 704 CA SER A 57 2.507 34.414 -8.533 1.00 0.00 C ATOM 705 C SER A 57 1.396 34.058 -7.536 1.00 0.00 C ATOM 706 O SER A 57 1.654 33.776 -6.363 1.00 0.00 O ATOM 707 CB SER A 57 3.546 35.343 -7.885 1.00 0.00 C ATOM 708 OG SER A 57 4.313 34.666 -6.902 1.00 0.00 O ATOM 0 H SER A 57 1.631 36.019 -9.544 1.00 0.00 H new ATOM 0 HA SER A 57 3.005 33.492 -8.834 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.209 35.741 -8.654 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.040 36.194 -7.429 1.00 0.00 H new ATOM 0 HG SER A 57 3.720 34.127 -6.338 1.00 0.00 H new ATOM 714 N CYS A 58 0.166 34.049 -8.024 1.00 0.00 N ATOM 715 CA CYS A 58 -0.983 33.764 -7.198 1.00 0.00 C ATOM 716 C CYS A 58 -1.219 32.272 -7.132 1.00 0.00 C ATOM 717 O CYS A 58 -1.592 31.634 -8.125 1.00 0.00 O ATOM 718 CB CYS A 58 -2.216 34.491 -7.732 1.00 0.00 C ATOM 719 SG CYS A 58 -3.627 34.490 -6.614 1.00 0.00 S ATOM 0 H CYS A 58 -0.058 34.239 -9.001 1.00 0.00 H new ATOM 0 HA CYS A 58 -0.791 34.125 -6.188 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -1.945 35.523 -7.954 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.514 34.030 -8.674 1.00 0.00 H new ATOM 0 HG CYS A 58 -4.013 35.713 -6.401 1.00 0.00 H new ATOM 724 N LYS A 59 -0.987 31.717 -5.964 1.00 0.00 N ATOM 725 CA LYS A 59 -1.108 30.288 -5.756 1.00 0.00 C ATOM 726 C LYS A 59 -2.361 29.965 -4.960 1.00 0.00 C ATOM 727 O LYS A 59 -2.673 28.801 -4.721 1.00 0.00 O ATOM 728 CB LYS A 59 0.128 29.780 -5.023 1.00 0.00 C ATOM 729 CG LYS A 59 1.429 30.198 -5.686 1.00 0.00 C ATOM 730 CD LYS A 59 2.632 29.777 -4.873 1.00 0.00 C ATOM 731 CE LYS A 59 3.928 30.222 -5.531 1.00 0.00 C ATOM 732 NZ LYS A 59 4.108 29.622 -6.878 1.00 0.00 N ATOM 0 H LYS A 59 -0.710 32.239 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 59 -1.186 29.793 -6.724 1.00 0.00 H new ATOM 0 HB2 LYS A 59 0.114 30.152 -3.998 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.089 28.692 -4.968 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.489 29.756 -6.680 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.439 31.280 -5.817 1.00 0.00 H new ATOM 0 HD2 LYS A 59 2.565 30.204 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.634 28.693 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.936 31.309 -5.615 1.00 0.00 H new ATOM 0 HE3 LYS A 59 4.770 29.945 -4.896 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.087 29.769 -7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 3.908 28.602 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 3.455 30.074 -7.549 1.00 0.00 H new ATOM 746 N CYS A 60 -3.073 30.998 -4.561 1.00 0.00 N ATOM 747 CA CYS A 60 -4.286 30.839 -3.777 1.00 0.00 C ATOM 748 C CYS A 60 -5.409 30.275 -4.635 1.00 0.00 C ATOM 749 O CYS A 60 -5.417 30.453 -5.859 1.00 0.00 O ATOM 750 CB CYS A 60 -4.722 32.188 -3.228 1.00 0.00 C ATOM 751 SG CYS A 60 -3.370 33.223 -2.662 1.00 0.00 S ATOM 0 H CYS A 60 -2.832 31.967 -4.768 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.077 30.149 -2.959 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -5.274 32.722 -4.002 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -5.411 32.025 -2.400 1.00 0.00 H new ATOM 0 HG CYS A 60 -3.686 34.474 -2.819 1.00 0.00 H new ATOM 756 N GLY A 61 -6.357 29.611 -3.999 1.00 0.00 N ATOM 757 CA GLY A 61 -7.501 29.102 -4.716 1.00 0.00 C ATOM 758 C GLY A 61 -8.464 30.219 -5.081 1.00 0.00 C ATOM 759 O GLY A 61 -8.219 31.383 -4.756 1.00 0.00 O ATOM 0 H GLY A 61 -6.354 29.415 -2.998 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -7.169 28.594 -5.622 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.015 28.360 -4.105 1.00 0.00 H new ATOM 763 N SER A 62 -9.557 29.873 -5.734 1.00 0.00 N ATOM 764 CA SER A 62 -10.544 30.850 -6.178 1.00 0.00 C ATOM 765 C SER A 62 -11.483 31.272 -5.040 1.00 0.00 C ATOM 766 O SER A 62 -12.420 32.040 -5.247 1.00 0.00 O ATOM 767 CB SER A 62 -11.347 30.273 -7.338 1.00 0.00 C ATOM 768 OG SER A 62 -10.478 29.683 -8.292 1.00 0.00 O ATOM 0 H SER A 62 -9.789 28.909 -5.973 1.00 0.00 H new ATOM 0 HA SER A 62 -10.011 31.742 -6.507 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.051 29.528 -6.967 1.00 0.00 H new ATOM 0 HB3 SER A 62 -11.935 31.060 -7.809 1.00 0.00 H new ATOM 0 HG SER A 62 -10.146 28.828 -7.947 1.00 0.00 H new ATOM 774 N SER A 63 -11.221 30.780 -3.841 1.00 0.00 N ATOM 775 CA SER A 63 -12.033 31.125 -2.690 1.00 0.00 C ATOM 776 C SER A 63 -11.250 32.015 -1.728 1.00 0.00 C ATOM 777 O SER A 63 -11.670 32.245 -0.599 1.00 0.00 O ATOM 778 CB SER A 63 -12.502 29.855 -1.977 1.00 0.00 C ATOM 779 OG SER A 63 -13.163 28.980 -2.883 1.00 0.00 O ATOM 0 H SER A 63 -10.452 30.140 -3.641 1.00 0.00 H new ATOM 0 HA SER A 63 -12.907 31.678 -3.035 1.00 0.00 H new ATOM 0 HB2 SER A 63 -11.647 29.346 -1.532 1.00 0.00 H new ATOM 0 HB3 SER A 63 -13.176 30.118 -1.162 1.00 0.00 H new ATOM 0 HG SER A 63 -13.453 28.174 -2.407 1.00 0.00 H new ATOM 785 N CYS A 64 -10.121 32.528 -2.191 1.00 0.00 N ATOM 786 CA CYS A 64 -9.281 33.361 -1.360 1.00 0.00 C ATOM 787 C CYS A 64 -9.735 34.827 -1.432 1.00 0.00 C ATOM 788 O CYS A 64 -10.528 35.196 -2.306 1.00 0.00 O ATOM 789 CB CYS A 64 -7.818 33.209 -1.788 1.00 0.00 C ATOM 790 SG CYS A 64 -6.617 33.940 -0.647 1.00 0.00 S ATOM 0 H CYS A 64 -9.770 32.380 -3.137 1.00 0.00 H new ATOM 0 HA CYS A 64 -9.371 33.040 -0.322 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -7.594 32.148 -1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -7.691 33.666 -2.769 1.00 0.00 H new ATOM 0 HG CYS A 64 -5.949 34.873 -1.259 1.00 0.00 H new ATOM 795 N SER A 65 -9.229 35.651 -0.519 1.00 0.00 N ATOM 796 CA SER A 65 -9.609 37.066 -0.438 1.00 0.00 C ATOM 797 C SER A 65 -9.223 37.842 -1.702 1.00 0.00 C ATOM 798 O SER A 65 -9.849 38.848 -2.034 1.00 0.00 O ATOM 799 CB SER A 65 -8.950 37.717 0.778 1.00 0.00 C ATOM 800 OG SER A 65 -9.174 36.955 1.949 1.00 0.00 O ATOM 0 H SER A 65 -8.548 35.363 0.184 1.00 0.00 H new ATOM 0 HA SER A 65 -10.694 37.103 -0.341 1.00 0.00 H new ATOM 0 HB2 SER A 65 -7.878 37.816 0.605 1.00 0.00 H new ATOM 0 HB3 SER A 65 -9.346 38.723 0.914 1.00 0.00 H new ATOM 0 HG SER A 65 -8.741 37.392 2.712 1.00 0.00 H new ATOM 806 N CYS A 66 -8.199 37.376 -2.401 1.00 0.00 N ATOM 807 CA CYS A 66 -7.733 38.051 -3.601 1.00 0.00 C ATOM 808 C CYS A 66 -8.586 37.695 -4.821 1.00 0.00 C ATOM 809 O CYS A 66 -8.439 38.291 -5.888 1.00 0.00 O ATOM 810 CB CYS A 66 -6.253 37.729 -3.856 1.00 0.00 C ATOM 811 SG CYS A 66 -5.819 35.970 -3.755 1.00 0.00 S ATOM 0 H CYS A 66 -7.676 36.535 -2.158 1.00 0.00 H new ATOM 0 HA CYS A 66 -7.834 39.124 -3.438 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -5.982 38.098 -4.845 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -5.648 38.278 -3.135 1.00 0.00 H new ATOM 0 HG CYS A 66 -5.092 35.643 -4.782 1.00 0.00 H new ATOM 816 N LYS A 67 -9.497 36.755 -4.646 1.00 0.00 N ATOM 817 CA LYS A 67 -10.334 36.278 -5.743 1.00 0.00 C ATOM 818 C LYS A 67 -11.700 36.958 -5.735 1.00 0.00 C ATOM 819 O LYS A 67 -12.579 36.509 -4.951 1.00 0.00 O ATOM 820 CB LYS A 67 -10.484 34.761 -5.635 1.00 0.00 C ATOM 821 CG LYS A 67 -9.151 34.051 -5.575 1.00 0.00 C ATOM 822 CD LYS A 67 -8.449 34.078 -6.919 1.00 0.00 C ATOM 823 CE LYS A 67 -6.959 34.274 -6.751 1.00 0.00 C ATOM 824 NZ LYS A 67 -6.314 33.151 -6.037 1.00 0.00 N ATOM 0 H LYS A 67 -9.680 36.302 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 67 -9.854 36.530 -6.689 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -11.062 34.519 -4.743 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.050 34.393 -6.491 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -8.519 34.523 -4.823 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -9.301 33.018 -5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -8.639 33.146 -7.451 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -8.858 34.882 -7.530 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -6.498 34.388 -7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.777 35.199 -6.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -5.311 33.373 -5.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -6.789 33.002 -5.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -6.388 32.287 -6.611 1.00 0.00 H new