USER MOD reduce.3.24.130724 H: found=0, std=0, add=366, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 349 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 CYS SG : rot -97:sc= 0.268 USER MOD Set 1.2: A 41 CYS SG : rot -47:sc= 0.887 USER MOD Set 1.3: A 46 CYS SG : rot 70:sc= 0.805 USER MOD Set 1.4: A 48 CYS SG : rot -112:sc= -1.15! USER MOD Set 1.5: A 50 LYS NZ :NH3+ -147:sc= 0.154 (180deg=-0.225) USER MOD Set 1.6: A 52 CYS SG : rot 26:sc= 0.0911 USER MOD Set 1.7: A 58 CYS SG : rot 24:sc= 1.03 USER MOD Set 1.8: A 60 CYS SG : rot 180:sc= -4.76! USER MOD Set 1.9: A 64 CYS SG : rot 180:sc= -0.341! USER MOD Set 1.10: A 66 CYS SG : rot 180:sc= -0.442 USER MOD Set 1.11: A 67 LYS NZ :NH3+ -165:sc= 1.84 (180deg=0.55) USER MOD Set 2.1: A 10 CYS SG : rot 180:sc= 0 USER MOD Set 2.2: A 11 THR OG1 : rot -145:sc= 0.933 USER MOD Set 2.3: A 14 CYS SG : rot -31:sc= 0.034 USER MOD Set 2.4: A 21 CYS SG : rot 86:sc= 0.192 USER MOD Set 2.5: A 27 CYS SG : rot 180:sc= -2.54 USER MOD Set 2.6: A 31 CYS SG : rot 180:sc= 0.682 USER MOD Set 2.7: A 36 CYS SG : rot 180:sc= -0.117 USER MOD Set 3.1: A 25 CYS SG : rot 180:sc= 0.242 USER MOD Set 3.2: A 62 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 19 CYS SG : rot 180:sc= -1.66! USER MOD Set 4.2: A 33 CYS SG : rot 180:sc= -1.06 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= -0.406 X(o=-0.41,f=-0.0048) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -160:sc= -0.0494 (180deg=-0.454) USER MOD Single : A 26 GLN : amide:sc= 1.02 K(o=1,f=-0.059) USER MOD Single : A 32 THR OG1 : rot -43:sc= 0.394 USER MOD Single : A 37 LYS NZ :NH3+ 161:sc= 0.94 (180deg=0.669) USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0918 USER MOD Single : A 40 ASN : amide:sc= 1.13 K(o=1.1,f=-0.0019) USER MOD Single : A 42 THR OG1 : rot 132:sc= 1.32 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 53 THR OG1 : rot 52:sc= 0.382 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 13.704 -8.562 -16.903 1.00 0.00 N ATOM 99 CA LYS A 9 15.016 -7.944 -16.873 1.00 0.00 C ATOM 100 C LYS A 9 15.819 -8.405 -15.687 1.00 0.00 C ATOM 101 O LYS A 9 16.955 -7.998 -15.510 1.00 0.00 O ATOM 102 CB LYS A 9 14.896 -6.445 -16.838 1.00 0.00 C ATOM 103 CG LYS A 9 14.490 -5.822 -18.160 1.00 0.00 C ATOM 104 CD LYS A 9 15.532 -6.076 -19.241 1.00 0.00 C ATOM 105 CE LYS A 9 15.140 -5.435 -20.561 1.00 0.00 C ATOM 106 NZ LYS A 9 16.183 -5.630 -21.599 1.00 0.00 N ATOM 0 HA LYS A 9 15.534 -8.248 -17.783 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.164 -6.168 -16.079 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.852 -6.022 -16.529 1.00 0.00 H new ATOM 0 HG2 LYS A 9 13.530 -6.230 -18.476 1.00 0.00 H new ATOM 0 HG3 LYS A 9 14.353 -4.748 -18.030 1.00 0.00 H new ATOM 0 HD2 LYS A 9 16.496 -5.682 -18.917 1.00 0.00 H new ATOM 0 HD3 LYS A 9 15.657 -7.150 -19.381 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.199 -5.862 -20.907 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.971 -4.369 -20.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 15.879 -5.179 -22.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.075 -5.201 -21.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.327 -6.647 -21.760 1.00 0.00 H new ATOM 120 N CYS A 10 15.234 -9.241 -14.885 1.00 0.00 N ATOM 121 CA CYS A 10 15.898 -9.728 -13.704 1.00 0.00 C ATOM 122 C CYS A 10 16.526 -11.067 -13.939 1.00 0.00 C ATOM 123 O CYS A 10 16.144 -11.803 -14.854 1.00 0.00 O ATOM 124 CB CYS A 10 14.945 -9.783 -12.535 1.00 0.00 C ATOM 125 SG CYS A 10 14.393 -8.164 -12.012 1.00 0.00 S ATOM 0 H CYS A 10 14.291 -9.605 -15.024 1.00 0.00 H new ATOM 0 HA CYS A 10 16.696 -9.026 -13.464 1.00 0.00 H new ATOM 0 HB2 CYS A 10 14.079 -10.387 -12.807 1.00 0.00 H new ATOM 0 HB3 CYS A 10 15.433 -10.283 -11.698 1.00 0.00 H new ATOM 0 HG CYS A 10 13.577 -8.287 -11.008 1.00 0.00 H new ATOM 130 N THR A 11 17.473 -11.387 -13.110 1.00 0.00 N ATOM 131 CA THR A 11 18.220 -12.596 -13.238 1.00 0.00 C ATOM 132 C THR A 11 17.602 -13.693 -12.396 1.00 0.00 C ATOM 133 O THR A 11 16.577 -13.481 -11.747 1.00 0.00 O ATOM 134 CB THR A 11 19.652 -12.352 -12.779 1.00 0.00 C ATOM 135 OG1 THR A 11 19.664 -12.105 -11.362 1.00 0.00 O ATOM 136 CG2 THR A 11 20.212 -11.143 -13.502 1.00 0.00 C ATOM 0 H THR A 11 17.750 -10.808 -12.317 1.00 0.00 H new ATOM 0 HA THR A 11 18.211 -12.908 -14.282 1.00 0.00 H new ATOM 0 HB THR A 11 20.261 -13.228 -13.003 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.358 -11.446 -11.151 1.00 0.00 H new ATOM 0 HG21 THR A 11 21.237 -10.966 -13.175 1.00 0.00 H new ATOM 0 HG22 THR A 11 20.200 -11.324 -14.577 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.603 -10.268 -13.274 1.00 0.00 H new ATOM 144 N SER A 12 18.217 -14.859 -12.406 1.00 0.00 N ATOM 145 CA SER A 12 17.747 -15.966 -11.604 1.00 0.00 C ATOM 146 C SER A 12 18.227 -15.798 -10.164 1.00 0.00 C ATOM 147 O SER A 12 17.651 -16.355 -9.228 1.00 0.00 O ATOM 148 CB SER A 12 18.238 -17.286 -12.194 1.00 0.00 C ATOM 149 OG SER A 12 17.841 -17.401 -13.553 1.00 0.00 O ATOM 0 H SER A 12 19.046 -15.063 -12.964 1.00 0.00 H new ATOM 0 HA SER A 12 16.657 -15.979 -11.606 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.324 -17.343 -12.120 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.835 -18.120 -11.619 1.00 0.00 H new ATOM 0 HG SER A 12 18.165 -18.251 -13.917 1.00 0.00 H new ATOM 155 N ALA A 13 19.271 -15.000 -10.001 1.00 0.00 N ATOM 156 CA ALA A 13 19.837 -14.719 -8.696 1.00 0.00 C ATOM 157 C ALA A 13 18.990 -13.690 -7.945 1.00 0.00 C ATOM 158 O ALA A 13 18.827 -13.773 -6.725 1.00 0.00 O ATOM 159 CB ALA A 13 21.266 -14.228 -8.853 1.00 0.00 C ATOM 0 H ALA A 13 19.748 -14.530 -10.771 1.00 0.00 H new ATOM 0 HA ALA A 13 19.841 -15.638 -8.109 1.00 0.00 H new ATOM 0 HB1 ALA A 13 21.688 -14.018 -7.870 1.00 0.00 H new ATOM 0 HB2 ALA A 13 21.862 -14.995 -9.348 1.00 0.00 H new ATOM 0 HB3 ALA A 13 21.274 -13.319 -9.454 1.00 0.00 H new ATOM 165 N CYS A 14 18.440 -12.734 -8.687 1.00 0.00 N ATOM 166 CA CYS A 14 17.596 -11.682 -8.110 1.00 0.00 C ATOM 167 C CYS A 14 16.240 -12.252 -7.675 1.00 0.00 C ATOM 168 O CYS A 14 15.481 -11.606 -6.954 1.00 0.00 O ATOM 169 CB CYS A 14 17.384 -10.566 -9.139 1.00 0.00 C ATOM 170 SG CYS A 14 16.523 -9.088 -8.512 1.00 0.00 S ATOM 0 H CYS A 14 18.562 -12.662 -9.697 1.00 0.00 H new ATOM 0 HA CYS A 14 18.099 -11.277 -7.232 1.00 0.00 H new ATOM 0 HB2 CYS A 14 18.356 -10.263 -9.528 1.00 0.00 H new ATOM 0 HB3 CYS A 14 16.816 -10.970 -9.977 1.00 0.00 H new ATOM 0 HG CYS A 14 15.689 -9.435 -7.577 1.00 0.00 H new ATOM 175 N ARG A 15 15.944 -13.465 -8.128 1.00 0.00 N ATOM 176 CA ARG A 15 14.685 -14.142 -7.782 1.00 0.00 C ATOM 177 C ARG A 15 14.698 -14.600 -6.327 1.00 0.00 C ATOM 178 O ARG A 15 13.653 -14.839 -5.733 1.00 0.00 O ATOM 179 CB ARG A 15 14.472 -15.373 -8.669 1.00 0.00 C ATOM 180 CG ARG A 15 14.610 -15.121 -10.153 1.00 0.00 C ATOM 181 CD ARG A 15 13.519 -14.221 -10.697 1.00 0.00 C ATOM 182 NE ARG A 15 13.747 -13.931 -12.112 1.00 0.00 N ATOM 183 CZ ARG A 15 12.808 -13.978 -13.057 1.00 0.00 C ATOM 184 NH1 ARG A 15 11.552 -14.259 -12.745 1.00 0.00 N ATOM 185 NH2 ARG A 15 13.131 -13.739 -14.319 1.00 0.00 N ATOM 0 H ARG A 15 16.556 -14.007 -8.738 1.00 0.00 H new ATOM 0 HA ARG A 15 13.878 -13.426 -7.937 1.00 0.00 H new ATOM 0 HB2 ARG A 15 15.189 -16.141 -8.378 1.00 0.00 H new ATOM 0 HB3 ARG A 15 13.478 -15.775 -8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 15 15.581 -14.668 -10.352 1.00 0.00 H new ATOM 0 HG3 ARG A 15 14.588 -16.073 -10.683 1.00 0.00 H new ATOM 0 HD2 ARG A 15 12.548 -14.700 -10.571 1.00 0.00 H new ATOM 0 HD3 ARG A 15 13.491 -13.291 -10.130 1.00 0.00 H new ATOM 0 HE ARG A 15 14.692 -13.674 -12.396 1.00 0.00 H new ATOM 0 HH11 ARG A 15 11.296 -14.442 -11.775 1.00 0.00 H new ATOM 0 HH12 ARG A 15 10.840 -14.293 -13.475 1.00 0.00 H new ATOM 0 HH21 ARG A 15 14.096 -13.520 -14.566 1.00 0.00 H new ATOM 0 HH22 ARG A 15 12.415 -13.774 -15.044 1.00 0.00 H new ATOM 199 N SER A 16 15.883 -14.720 -5.766 1.00 0.00 N ATOM 200 CA SER A 16 16.035 -15.242 -4.418 1.00 0.00 C ATOM 201 C SER A 16 16.024 -14.134 -3.363 1.00 0.00 C ATOM 202 O SER A 16 16.162 -12.947 -3.684 1.00 0.00 O ATOM 203 CB SER A 16 17.326 -16.047 -4.329 1.00 0.00 C ATOM 204 OG SER A 16 17.336 -17.087 -5.299 1.00 0.00 O ATOM 0 H SER A 16 16.759 -14.463 -6.221 1.00 0.00 H new ATOM 0 HA SER A 16 15.181 -15.887 -4.210 1.00 0.00 H new ATOM 0 HB2 SER A 16 18.182 -15.390 -4.484 1.00 0.00 H new ATOM 0 HB3 SER A 16 17.427 -16.473 -3.331 1.00 0.00 H new ATOM 0 HG SER A 16 18.173 -17.592 -5.228 1.00 0.00 H new ATOM 210 N GLU A 17 15.842 -14.532 -2.110 1.00 0.00 N ATOM 211 CA GLU A 17 15.855 -13.608 -0.991 1.00 0.00 C ATOM 212 C GLU A 17 16.570 -14.237 0.220 1.00 0.00 C ATOM 213 O GLU A 17 16.150 -15.279 0.729 1.00 0.00 O ATOM 214 CB GLU A 17 14.434 -13.159 -0.626 1.00 0.00 C ATOM 215 CG GLU A 17 13.471 -14.286 -0.305 1.00 0.00 C ATOM 216 CD GLU A 17 12.106 -13.772 0.080 1.00 0.00 C ATOM 217 OE1 GLU A 17 12.001 -13.072 1.108 1.00 0.00 O ATOM 218 OE2 GLU A 17 11.131 -14.073 -0.633 1.00 0.00 O ATOM 0 H GLU A 17 15.682 -15.504 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 17 16.411 -12.719 -1.290 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.489 -12.492 0.234 1.00 0.00 H new ATOM 0 HB3 GLU A 17 14.028 -12.578 -1.454 1.00 0.00 H new ATOM 0 HG2 GLU A 17 13.380 -14.942 -1.170 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.875 -14.887 0.510 1.00 0.00 H new ATOM 225 N PRO A 18 17.689 -13.630 0.675 1.00 0.00 N ATOM 226 CA PRO A 18 18.236 -12.412 0.078 1.00 0.00 C ATOM 227 C PRO A 18 18.749 -12.649 -1.329 1.00 0.00 C ATOM 228 O PRO A 18 18.852 -13.793 -1.789 1.00 0.00 O ATOM 229 CB PRO A 18 19.396 -12.019 0.999 1.00 0.00 C ATOM 230 CG PRO A 18 19.249 -12.873 2.217 1.00 0.00 C ATOM 231 CD PRO A 18 18.509 -14.103 1.789 1.00 0.00 C ATOM 0 HA PRO A 18 17.474 -11.638 -0.008 1.00 0.00 H new ATOM 0 HB2 PRO A 18 20.357 -12.190 0.514 1.00 0.00 H new ATOM 0 HB3 PRO A 18 19.352 -10.960 1.255 1.00 0.00 H new ATOM 0 HG2 PRO A 18 20.224 -13.131 2.629 1.00 0.00 H new ATOM 0 HG3 PRO A 18 18.703 -12.344 2.998 1.00 0.00 H new ATOM 0 HD2 PRO A 18 19.190 -14.895 1.479 1.00 0.00 H new ATOM 0 HD3 PRO A 18 17.897 -14.506 2.596 1.00 0.00 H new ATOM 239 N CYS A 19 19.091 -11.583 -1.990 1.00 0.00 N ATOM 240 CA CYS A 19 19.504 -11.641 -3.361 1.00 0.00 C ATOM 241 C CYS A 19 20.819 -12.387 -3.525 1.00 0.00 C ATOM 242 O CYS A 19 21.666 -12.384 -2.631 1.00 0.00 O ATOM 243 CB CYS A 19 19.627 -10.252 -3.905 1.00 0.00 C ATOM 244 SG CYS A 19 19.751 -10.204 -5.683 1.00 0.00 S ATOM 0 H CYS A 19 19.091 -10.644 -1.591 1.00 0.00 H new ATOM 0 HA CYS A 19 18.746 -12.191 -3.919 1.00 0.00 H new ATOM 0 HB2 CYS A 19 18.762 -9.668 -3.591 1.00 0.00 H new ATOM 0 HB3 CYS A 19 20.507 -9.776 -3.473 1.00 0.00 H new ATOM 0 HG CYS A 19 19.852 -8.970 -6.078 1.00 0.00 H new ATOM 249 N GLN A 20 20.985 -13.022 -4.673 1.00 0.00 N ATOM 250 CA GLN A 20 22.176 -13.804 -4.946 1.00 0.00 C ATOM 251 C GLN A 20 23.010 -13.183 -6.077 1.00 0.00 C ATOM 252 O GLN A 20 23.979 -13.788 -6.539 1.00 0.00 O ATOM 253 CB GLN A 20 21.781 -15.242 -5.311 1.00 0.00 C ATOM 254 CG GLN A 20 20.931 -15.952 -4.258 1.00 0.00 C ATOM 255 CD GLN A 20 21.665 -16.186 -2.949 1.00 0.00 C ATOM 256 OE1 GLN A 20 22.337 -17.204 -2.773 1.00 0.00 O ATOM 257 NE2 GLN A 20 21.523 -15.266 -2.018 1.00 0.00 N ATOM 0 H GLN A 20 20.305 -13.010 -5.434 1.00 0.00 H new ATOM 0 HA GLN A 20 22.790 -13.812 -4.045 1.00 0.00 H new ATOM 0 HB2 GLN A 20 21.232 -15.227 -6.253 1.00 0.00 H new ATOM 0 HB3 GLN A 20 22.688 -15.823 -5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 20 20.037 -15.360 -4.064 1.00 0.00 H new ATOM 0 HG3 GLN A 20 20.598 -16.911 -4.656 1.00 0.00 H new ATOM 0 HE21 GLN A 20 20.958 -14.437 -2.202 1.00 0.00 H new ATOM 0 HE22 GLN A 20 21.978 -15.382 -1.112 1.00 0.00 H new ATOM 266 N CYS A 21 22.624 -11.982 -6.532 1.00 0.00 N ATOM 267 CA CYS A 21 23.363 -11.297 -7.599 1.00 0.00 C ATOM 268 C CYS A 21 24.744 -10.857 -7.120 1.00 0.00 C ATOM 269 O CYS A 21 25.752 -11.479 -7.453 1.00 0.00 O ATOM 270 CB CYS A 21 22.586 -10.080 -8.123 1.00 0.00 C ATOM 271 SG CYS A 21 21.109 -10.467 -9.097 1.00 0.00 S ATOM 0 H CYS A 21 21.814 -11.471 -6.182 1.00 0.00 H new ATOM 0 HA CYS A 21 23.485 -12.011 -8.413 1.00 0.00 H new ATOM 0 HB2 CYS A 21 22.290 -9.465 -7.273 1.00 0.00 H new ATOM 0 HB3 CYS A 21 23.257 -9.477 -8.735 1.00 0.00 H new ATOM 0 HG CYS A 21 20.095 -10.634 -8.300 1.00 0.00 H new ATOM 276 N GLY A 22 24.784 -9.793 -6.325 1.00 0.00 N ATOM 277 CA GLY A 22 26.051 -9.272 -5.854 1.00 0.00 C ATOM 278 C GLY A 22 26.880 -8.718 -6.995 1.00 0.00 C ATOM 279 O GLY A 22 26.542 -7.686 -7.570 1.00 0.00 O ATOM 0 H GLY A 22 23.962 -9.284 -6.000 1.00 0.00 H new ATOM 0 HA2 GLY A 22 25.873 -8.488 -5.118 1.00 0.00 H new ATOM 0 HA3 GLY A 22 26.606 -10.063 -5.349 1.00 0.00 H new ATOM 283 N SER A 23 27.948 -9.412 -7.331 1.00 0.00 N ATOM 284 CA SER A 23 28.805 -9.009 -8.428 1.00 0.00 C ATOM 285 C SER A 23 28.386 -9.755 -9.697 1.00 0.00 C ATOM 286 O SER A 23 28.711 -9.353 -10.817 1.00 0.00 O ATOM 287 CB SER A 23 30.274 -9.301 -8.085 1.00 0.00 C ATOM 288 OG SER A 23 31.162 -8.665 -8.996 1.00 0.00 O ATOM 0 H SER A 23 28.245 -10.264 -6.856 1.00 0.00 H new ATOM 0 HA SER A 23 28.703 -7.937 -8.597 1.00 0.00 H new ATOM 0 HB2 SER A 23 30.486 -8.960 -7.072 1.00 0.00 H new ATOM 0 HB3 SER A 23 30.445 -10.377 -8.101 1.00 0.00 H new ATOM 0 HG SER A 23 32.088 -8.870 -8.748 1.00 0.00 H new ATOM 294 N LYS A 24 27.641 -10.837 -9.506 1.00 0.00 N ATOM 295 CA LYS A 24 27.140 -11.648 -10.607 1.00 0.00 C ATOM 296 C LYS A 24 25.756 -11.177 -11.008 1.00 0.00 C ATOM 297 O LYS A 24 24.797 -11.951 -11.018 1.00 0.00 O ATOM 298 CB LYS A 24 27.088 -13.119 -10.201 1.00 0.00 C ATOM 299 CG LYS A 24 28.445 -13.762 -10.027 1.00 0.00 C ATOM 300 CD LYS A 24 28.312 -15.186 -9.523 1.00 0.00 C ATOM 301 CE LYS A 24 29.636 -15.917 -9.586 1.00 0.00 C ATOM 302 NZ LYS A 24 30.095 -16.093 -10.985 1.00 0.00 N ATOM 0 H LYS A 24 27.368 -11.176 -8.584 1.00 0.00 H new ATOM 0 HA LYS A 24 27.816 -11.541 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 24 26.534 -13.207 -9.266 1.00 0.00 H new ATOM 0 HB3 LYS A 24 26.530 -13.673 -10.956 1.00 0.00 H new ATOM 0 HG2 LYS A 24 28.978 -13.757 -10.978 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.040 -13.178 -9.325 1.00 0.00 H new ATOM 0 HD2 LYS A 24 27.947 -15.178 -8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 24 27.572 -15.718 -10.120 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.386 -15.362 -9.023 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.537 -16.892 -9.109 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 30.794 -16.862 -11.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 29.283 -16.330 -11.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 30.531 -15.211 -11.321 1.00 0.00 H new ATOM 316 N CYS A 25 25.652 -9.916 -11.330 1.00 0.00 N ATOM 317 CA CYS A 25 24.387 -9.337 -11.693 1.00 0.00 C ATOM 318 C CYS A 25 24.267 -9.145 -13.199 1.00 0.00 C ATOM 319 O CYS A 25 25.242 -8.810 -13.878 1.00 0.00 O ATOM 320 CB CYS A 25 24.195 -8.012 -10.988 1.00 0.00 C ATOM 321 SG CYS A 25 22.650 -7.210 -11.404 1.00 0.00 S ATOM 0 H CYS A 25 26.437 -9.264 -11.348 1.00 0.00 H new ATOM 0 HA CYS A 25 23.607 -10.031 -11.380 1.00 0.00 H new ATOM 0 HB2 CYS A 25 24.235 -8.172 -9.911 1.00 0.00 H new ATOM 0 HB3 CYS A 25 25.022 -7.349 -11.243 1.00 0.00 H new ATOM 0 HG CYS A 25 22.558 -6.084 -10.760 1.00 0.00 H new ATOM 326 N GLN A 26 23.059 -9.348 -13.709 1.00 0.00 N ATOM 327 CA GLN A 26 22.755 -9.191 -15.132 1.00 0.00 C ATOM 328 C GLN A 26 21.395 -8.511 -15.307 1.00 0.00 C ATOM 329 O GLN A 26 20.797 -8.568 -16.386 1.00 0.00 O ATOM 330 CB GLN A 26 22.735 -10.562 -15.831 1.00 0.00 C ATOM 331 CG GLN A 26 24.095 -11.222 -15.983 1.00 0.00 C ATOM 332 CD GLN A 26 24.988 -10.490 -16.962 1.00 0.00 C ATOM 333 OE1 GLN A 26 24.967 -10.763 -18.161 1.00 0.00 O ATOM 334 NE2 GLN A 26 25.783 -9.568 -16.462 1.00 0.00 N ATOM 0 H GLN A 26 22.255 -9.628 -13.147 1.00 0.00 H new ATOM 0 HA GLN A 26 23.530 -8.572 -15.583 1.00 0.00 H new ATOM 0 HB2 GLN A 26 22.084 -11.231 -15.269 1.00 0.00 H new ATOM 0 HB3 GLN A 26 22.292 -10.443 -16.820 1.00 0.00 H new ATOM 0 HG2 GLN A 26 24.585 -11.265 -15.010 1.00 0.00 H new ATOM 0 HG3 GLN A 26 23.961 -12.251 -16.318 1.00 0.00 H new ATOM 0 HE21 GLN A 26 25.770 -9.372 -15.461 1.00 0.00 H new ATOM 0 HE22 GLN A 26 26.412 -9.050 -17.075 1.00 0.00 H new ATOM 343 N CYS A 27 20.912 -7.873 -14.241 1.00 0.00 N ATOM 344 CA CYS A 27 19.605 -7.223 -14.266 1.00 0.00 C ATOM 345 C CYS A 27 19.607 -5.981 -15.135 1.00 0.00 C ATOM 346 O CYS A 27 20.619 -5.294 -15.260 1.00 0.00 O ATOM 347 CB CYS A 27 19.134 -6.881 -12.854 1.00 0.00 C ATOM 348 SG CYS A 27 18.662 -8.318 -11.872 1.00 0.00 S ATOM 0 H CYS A 27 21.406 -7.793 -13.352 1.00 0.00 H new ATOM 0 HA CYS A 27 18.905 -7.935 -14.704 1.00 0.00 H new ATOM 0 HB2 CYS A 27 19.929 -6.345 -12.336 1.00 0.00 H new ATOM 0 HB3 CYS A 27 18.283 -6.203 -12.920 1.00 0.00 H new ATOM 0 HG CYS A 27 18.280 -7.930 -10.692 1.00 0.00 H new ATOM 353 N GLY A 28 18.470 -5.708 -15.743 1.00 0.00 N ATOM 354 CA GLY A 28 18.349 -4.554 -16.597 1.00 0.00 C ATOM 355 C GLY A 28 17.695 -3.380 -15.898 1.00 0.00 C ATOM 356 O GLY A 28 17.616 -3.340 -14.672 1.00 0.00 O ATOM 0 H GLY A 28 17.623 -6.270 -15.659 1.00 0.00 H new ATOM 0 HA2 GLY A 28 19.339 -4.259 -16.946 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.766 -4.818 -17.479 1.00 0.00 H new ATOM 360 N GLU A 29 17.189 -2.443 -16.685 1.00 0.00 N ATOM 361 CA GLU A 29 16.557 -1.231 -16.154 1.00 0.00 C ATOM 362 C GLU A 29 15.180 -1.526 -15.549 1.00 0.00 C ATOM 363 O GLU A 29 14.542 -0.644 -14.968 1.00 0.00 O ATOM 364 CB GLU A 29 16.425 -0.187 -17.259 1.00 0.00 C ATOM 365 CG GLU A 29 15.558 -0.639 -18.420 1.00 0.00 C ATOM 366 CD GLU A 29 15.551 0.351 -19.551 1.00 0.00 C ATOM 367 OE1 GLU A 29 16.421 0.242 -20.442 1.00 0.00 O ATOM 368 OE2 GLU A 29 14.682 1.238 -19.565 1.00 0.00 O ATOM 0 H GLU A 29 17.201 -2.494 -17.704 1.00 0.00 H new ATOM 0 HA GLU A 29 17.194 -0.846 -15.358 1.00 0.00 H new ATOM 0 HB2 GLU A 29 16.005 0.726 -16.837 1.00 0.00 H new ATOM 0 HB3 GLU A 29 17.418 0.062 -17.633 1.00 0.00 H new ATOM 0 HG2 GLU A 29 15.918 -1.601 -18.785 1.00 0.00 H new ATOM 0 HG3 GLU A 29 14.537 -0.793 -18.069 1.00 0.00 H new ATOM 375 N GLY A 30 14.735 -2.764 -15.682 1.00 0.00 N ATOM 376 CA GLY A 30 13.445 -3.152 -15.148 1.00 0.00 C ATOM 377 C GLY A 30 13.559 -3.728 -13.756 1.00 0.00 C ATOM 378 O GLY A 30 12.693 -4.484 -13.313 1.00 0.00 O ATOM 0 H GLY A 30 15.245 -3.512 -16.152 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.785 -2.285 -15.129 1.00 0.00 H new ATOM 0 HA3 GLY A 30 12.986 -3.888 -15.808 1.00 0.00 H new ATOM 382 N CYS A 31 14.630 -3.381 -13.071 1.00 0.00 N ATOM 383 CA CYS A 31 14.860 -3.858 -11.728 1.00 0.00 C ATOM 384 C CYS A 31 14.847 -2.707 -10.733 1.00 0.00 C ATOM 385 O CYS A 31 15.211 -1.574 -11.068 1.00 0.00 O ATOM 386 CB CYS A 31 16.187 -4.601 -11.640 1.00 0.00 C ATOM 387 SG CYS A 31 16.614 -5.126 -9.968 1.00 0.00 S ATOM 0 H CYS A 31 15.359 -2.764 -13.429 1.00 0.00 H new ATOM 0 HA CYS A 31 14.053 -4.546 -11.477 1.00 0.00 H new ATOM 0 HB2 CYS A 31 16.146 -5.477 -12.287 1.00 0.00 H new ATOM 0 HB3 CYS A 31 16.979 -3.958 -12.023 1.00 0.00 H new ATOM 0 HG CYS A 31 17.754 -5.751 -9.987 1.00 0.00 H new ATOM 392 N THR A 32 14.426 -3.002 -9.518 1.00 0.00 N ATOM 393 CA THR A 32 14.381 -2.020 -8.463 1.00 0.00 C ATOM 394 C THR A 32 14.986 -2.602 -7.170 1.00 0.00 C ATOM 395 O THR A 32 14.870 -2.014 -6.091 1.00 0.00 O ATOM 396 CB THR A 32 12.917 -1.544 -8.211 1.00 0.00 C ATOM 397 OG1 THR A 32 12.899 -0.411 -7.327 1.00 0.00 O ATOM 398 CG2 THR A 32 12.068 -2.666 -7.616 1.00 0.00 C ATOM 0 H THR A 32 14.107 -3.930 -9.239 1.00 0.00 H new ATOM 0 HA THR A 32 14.971 -1.157 -8.771 1.00 0.00 H new ATOM 0 HB THR A 32 12.494 -1.257 -9.174 1.00 0.00 H new ATOM 0 HG1 THR A 32 13.524 -0.563 -6.588 1.00 0.00 H new ATOM 0 HG21 THR A 32 11.053 -2.306 -7.451 1.00 0.00 H new ATOM 0 HG22 THR A 32 12.046 -3.510 -8.305 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.499 -2.984 -6.667 1.00 0.00 H new ATOM 406 N CYS A 33 15.661 -3.748 -7.294 1.00 0.00 N ATOM 407 CA CYS A 33 16.254 -4.407 -6.136 1.00 0.00 C ATOM 408 C CYS A 33 17.475 -3.635 -5.652 1.00 0.00 C ATOM 409 O CYS A 33 18.453 -3.462 -6.383 1.00 0.00 O ATOM 410 CB CYS A 33 16.635 -5.862 -6.463 1.00 0.00 C ATOM 411 SG CYS A 33 17.174 -6.842 -5.024 1.00 0.00 S ATOM 0 H CYS A 33 15.808 -4.233 -8.179 1.00 0.00 H new ATOM 0 HA CYS A 33 15.511 -4.422 -5.339 1.00 0.00 H new ATOM 0 HB2 CYS A 33 15.778 -6.355 -6.922 1.00 0.00 H new ATOM 0 HB3 CYS A 33 17.434 -5.857 -7.204 1.00 0.00 H new ATOM 0 HG CYS A 33 17.469 -8.049 -5.407 1.00 0.00 H new ATOM 416 N ALA A 34 17.417 -3.184 -4.412 1.00 0.00 N ATOM 417 CA ALA A 34 18.490 -2.401 -3.822 1.00 0.00 C ATOM 418 C ALA A 34 19.678 -3.277 -3.436 1.00 0.00 C ATOM 419 O ALA A 34 20.685 -2.787 -2.934 1.00 0.00 O ATOM 420 CB ALA A 34 17.975 -1.647 -2.609 1.00 0.00 C ATOM 0 H ALA A 34 16.628 -3.349 -3.787 1.00 0.00 H new ATOM 0 HA ALA A 34 18.836 -1.688 -4.570 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.785 -1.063 -2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.168 -0.979 -2.911 1.00 0.00 H new ATOM 0 HB3 ALA A 34 17.601 -2.357 -1.871 1.00 0.00 H new ATOM 426 N ALA A 35 19.557 -4.570 -3.675 1.00 0.00 N ATOM 427 CA ALA A 35 20.613 -5.500 -3.336 1.00 0.00 C ATOM 428 C ALA A 35 21.649 -5.597 -4.447 1.00 0.00 C ATOM 429 O ALA A 35 22.824 -5.864 -4.186 1.00 0.00 O ATOM 430 CB ALA A 35 20.038 -6.869 -3.033 1.00 0.00 C ATOM 0 H ALA A 35 18.736 -4.998 -4.103 1.00 0.00 H new ATOM 0 HA ALA A 35 21.113 -5.121 -2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.846 -7.555 -2.780 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.348 -6.796 -2.193 1.00 0.00 H new ATOM 0 HB3 ALA A 35 19.506 -7.242 -3.908 1.00 0.00 H new ATOM 436 N CYS A 36 21.225 -5.379 -5.680 1.00 0.00 N ATOM 437 CA CYS A 36 22.137 -5.477 -6.806 1.00 0.00 C ATOM 438 C CYS A 36 22.253 -4.162 -7.586 1.00 0.00 C ATOM 439 O CYS A 36 23.282 -3.896 -8.214 1.00 0.00 O ATOM 440 CB CYS A 36 21.737 -6.640 -7.719 1.00 0.00 C ATOM 441 SG CYS A 36 19.994 -6.666 -8.194 1.00 0.00 S ATOM 0 H CYS A 36 20.265 -5.135 -5.925 1.00 0.00 H new ATOM 0 HA CYS A 36 23.130 -5.679 -6.404 1.00 0.00 H new ATOM 0 HB2 CYS A 36 22.345 -6.599 -8.623 1.00 0.00 H new ATOM 0 HB3 CYS A 36 21.976 -7.577 -7.216 1.00 0.00 H new ATOM 0 HG CYS A 36 19.770 -7.688 -8.966 1.00 0.00 H new ATOM 446 N LYS A 37 21.219 -3.332 -7.536 1.00 0.00 N ATOM 447 CA LYS A 37 21.254 -2.053 -8.230 1.00 0.00 C ATOM 448 C LYS A 37 21.970 -1.006 -7.379 1.00 0.00 C ATOM 449 O LYS A 37 21.438 -0.535 -6.372 1.00 0.00 O ATOM 450 CB LYS A 37 19.837 -1.582 -8.579 1.00 0.00 C ATOM 451 CG LYS A 37 19.800 -0.277 -9.361 1.00 0.00 C ATOM 452 CD LYS A 37 18.375 0.139 -9.683 1.00 0.00 C ATOM 453 CE LYS A 37 18.345 1.461 -10.431 1.00 0.00 C ATOM 454 NZ LYS A 37 16.962 1.885 -10.753 1.00 0.00 N ATOM 0 H LYS A 37 20.355 -3.519 -7.028 1.00 0.00 H new ATOM 0 HA LYS A 37 21.807 -2.184 -9.160 1.00 0.00 H new ATOM 0 HB2 LYS A 37 19.339 -2.358 -9.161 1.00 0.00 H new ATOM 0 HB3 LYS A 37 19.267 -1.459 -7.658 1.00 0.00 H new ATOM 0 HG2 LYS A 37 20.288 0.508 -8.784 1.00 0.00 H new ATOM 0 HG3 LYS A 37 20.365 -0.390 -10.286 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.895 -0.633 -10.284 1.00 0.00 H new ATOM 0 HD3 LYS A 37 17.802 0.227 -8.760 1.00 0.00 H new ATOM 0 HE2 LYS A 37 18.829 2.230 -9.828 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.920 1.369 -11.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 16.951 2.904 -10.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 16.622 1.358 -11.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 16.342 1.691 -9.941 1.00 0.00 H new ATOM 468 N THR A 38 23.179 -0.656 -7.782 1.00 0.00 N ATOM 469 CA THR A 38 23.978 0.308 -7.049 1.00 0.00 C ATOM 470 C THR A 38 24.213 1.584 -7.879 1.00 0.00 C ATOM 471 O THR A 38 23.817 1.663 -9.052 1.00 0.00 O ATOM 472 CB THR A 38 25.337 -0.310 -6.621 1.00 0.00 C ATOM 473 OG1 THR A 38 26.066 0.608 -5.794 1.00 0.00 O ATOM 474 CG2 THR A 38 26.176 -0.677 -7.841 1.00 0.00 C ATOM 0 H THR A 38 23.630 -1.028 -8.618 1.00 0.00 H new ATOM 0 HA THR A 38 23.422 0.581 -6.152 1.00 0.00 H new ATOM 0 HB THR A 38 25.129 -1.217 -6.053 1.00 0.00 H new ATOM 0 HG1 THR A 38 26.919 0.204 -5.531 1.00 0.00 H new ATOM 0 HG21 THR A 38 27.123 -1.108 -7.515 1.00 0.00 H new ATOM 0 HG22 THR A 38 25.637 -1.404 -8.448 1.00 0.00 H new ATOM 0 HG23 THR A 38 26.369 0.218 -8.432 1.00 0.00 H new ATOM 482 N CYS A 39 24.860 2.570 -7.269 1.00 0.00 N ATOM 483 CA CYS A 39 25.139 3.843 -7.911 1.00 0.00 C ATOM 484 C CYS A 39 26.331 4.520 -7.246 1.00 0.00 C ATOM 485 O CYS A 39 26.618 4.265 -6.077 1.00 0.00 O ATOM 486 CB CYS A 39 23.912 4.753 -7.835 1.00 0.00 C ATOM 487 SG CYS A 39 24.150 6.383 -8.570 1.00 0.00 S ATOM 0 H CYS A 39 25.206 2.506 -6.312 1.00 0.00 H new ATOM 0 HA CYS A 39 25.378 3.659 -8.958 1.00 0.00 H new ATOM 0 HB2 CYS A 39 23.078 4.261 -8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 39 23.630 4.876 -6.789 1.00 0.00 H new ATOM 0 HG CYS A 39 24.444 7.241 -7.638 1.00 0.00 H new ATOM 492 N ASN A 40 27.025 5.372 -7.992 1.00 0.00 N ATOM 493 CA ASN A 40 28.178 6.091 -7.459 1.00 0.00 C ATOM 494 C ASN A 40 27.934 7.587 -7.395 1.00 0.00 C ATOM 495 O ASN A 40 28.706 8.316 -6.772 1.00 0.00 O ATOM 496 CB ASN A 40 29.453 5.780 -8.240 1.00 0.00 C ATOM 497 CG ASN A 40 30.078 4.466 -7.818 1.00 0.00 C ATOM 498 OD1 ASN A 40 30.922 4.425 -6.923 1.00 0.00 O ATOM 499 ND2 ASN A 40 29.671 3.387 -8.454 1.00 0.00 N ATOM 0 H ASN A 40 26.810 5.582 -8.967 1.00 0.00 H new ATOM 0 HA ASN A 40 28.320 5.736 -6.438 1.00 0.00 H new ATOM 0 HB2 ASN A 40 29.225 5.746 -9.305 1.00 0.00 H new ATOM 0 HB3 ASN A 40 30.172 6.586 -8.093 1.00 0.00 H new ATOM 0 HD21 ASN A 40 30.058 2.475 -8.210 1.00 0.00 H new ATOM 0 HD22 ASN A 40 28.969 3.463 -9.190 1.00 0.00 H new ATOM 506 N CYS A 41 26.879 8.060 -8.046 1.00 0.00 N ATOM 507 CA CYS A 41 26.521 9.448 -7.921 1.00 0.00 C ATOM 508 C CYS A 41 25.833 9.613 -6.582 1.00 0.00 C ATOM 509 O CYS A 41 24.902 8.881 -6.261 1.00 0.00 O ATOM 510 CB CYS A 41 25.617 9.918 -9.071 1.00 0.00 C ATOM 511 SG CYS A 41 26.393 9.872 -10.733 1.00 0.00 S ATOM 0 H CYS A 41 26.273 7.508 -8.652 1.00 0.00 H new ATOM 0 HA CYS A 41 27.416 10.068 -7.976 1.00 0.00 H new ATOM 0 HB2 CYS A 41 24.722 9.297 -9.087 1.00 0.00 H new ATOM 0 HB3 CYS A 41 25.293 10.938 -8.865 1.00 0.00 H new ATOM 0 HG CYS A 41 27.575 10.411 -10.675 1.00 0.00 H new ATOM 516 N THR A 42 26.297 10.542 -5.805 1.00 0.00 N ATOM 517 CA THR A 42 25.825 10.691 -4.446 1.00 0.00 C ATOM 518 C THR A 42 24.689 11.686 -4.354 1.00 0.00 C ATOM 519 O THR A 42 24.365 12.361 -5.331 1.00 0.00 O ATOM 520 CB THR A 42 26.971 11.129 -3.511 1.00 0.00 C ATOM 521 OG1 THR A 42 27.541 12.360 -3.980 1.00 0.00 O ATOM 522 CG2 THR A 42 28.053 10.060 -3.450 1.00 0.00 C ATOM 0 H THR A 42 27.008 11.218 -6.083 1.00 0.00 H new ATOM 0 HA THR A 42 25.455 9.716 -4.129 1.00 0.00 H new ATOM 0 HB THR A 42 26.562 11.273 -2.511 1.00 0.00 H new ATOM 0 HG1 THR A 42 27.619 12.990 -3.233 1.00 0.00 H new ATOM 0 HG21 THR A 42 28.852 10.389 -2.785 1.00 0.00 H new ATOM 0 HG22 THR A 42 27.626 9.131 -3.072 1.00 0.00 H new ATOM 0 HG23 THR A 42 28.457 9.894 -4.449 1.00 0.00 H new ATOM 530 N SER A 43 24.102 11.793 -3.165 1.00 0.00 N ATOM 531 CA SER A 43 23.005 12.717 -2.916 1.00 0.00 C ATOM 532 C SER A 43 23.478 14.176 -3.012 1.00 0.00 C ATOM 533 O SER A 43 22.685 15.109 -2.880 1.00 0.00 O ATOM 534 CB SER A 43 22.402 12.446 -1.535 1.00 0.00 C ATOM 535 OG SER A 43 22.094 11.064 -1.371 1.00 0.00 O ATOM 0 H SER A 43 24.374 11.242 -2.351 1.00 0.00 H new ATOM 0 HA SER A 43 22.243 12.560 -3.679 1.00 0.00 H new ATOM 0 HB2 SER A 43 23.103 12.760 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.498 13.041 -1.407 1.00 0.00 H new ATOM 0 HG SER A 43 21.712 10.917 -0.480 1.00 0.00 H new ATOM 541 N ASP A 44 24.774 14.356 -3.243 1.00 0.00 N ATOM 542 CA ASP A 44 25.362 15.677 -3.380 1.00 0.00 C ATOM 543 C ASP A 44 25.122 16.210 -4.785 1.00 0.00 C ATOM 544 O ASP A 44 24.881 17.405 -4.978 1.00 0.00 O ATOM 545 CB ASP A 44 26.869 15.631 -3.100 1.00 0.00 C ATOM 546 CG ASP A 44 27.202 15.023 -1.753 1.00 0.00 C ATOM 547 OD1 ASP A 44 27.109 15.733 -0.732 1.00 0.00 O ATOM 548 OD2 ASP A 44 27.564 13.827 -1.714 1.00 0.00 O ATOM 0 H ASP A 44 25.442 13.591 -3.340 1.00 0.00 H new ATOM 0 HA ASP A 44 24.890 16.339 -2.654 1.00 0.00 H new ATOM 0 HB2 ASP A 44 27.361 15.056 -3.884 1.00 0.00 H new ATOM 0 HB3 ASP A 44 27.273 16.642 -3.146 1.00 0.00 H new ATOM 553 N GLY A 45 25.170 15.316 -5.762 1.00 0.00 N ATOM 554 CA GLY A 45 24.974 15.717 -7.133 1.00 0.00 C ATOM 555 C GLY A 45 25.345 14.630 -8.117 1.00 0.00 C ATOM 556 O GLY A 45 26.202 13.788 -7.833 1.00 0.00 O ATOM 0 H GLY A 45 25.342 14.320 -5.626 1.00 0.00 H new ATOM 0 HA2 GLY A 45 23.930 15.994 -7.281 1.00 0.00 H new ATOM 0 HA3 GLY A 45 25.572 16.605 -7.337 1.00 0.00 H new ATOM 560 N CYS A 46 24.696 14.648 -9.265 1.00 0.00 N ATOM 561 CA CYS A 46 24.942 13.676 -10.315 1.00 0.00 C ATOM 562 C CYS A 46 26.206 14.029 -11.078 1.00 0.00 C ATOM 563 O CYS A 46 26.455 15.204 -11.368 1.00 0.00 O ATOM 564 CB CYS A 46 23.757 13.640 -11.276 1.00 0.00 C ATOM 565 SG CYS A 46 23.980 12.550 -12.698 1.00 0.00 S ATOM 0 H CYS A 46 23.982 15.338 -9.497 1.00 0.00 H new ATOM 0 HA CYS A 46 25.069 12.695 -9.858 1.00 0.00 H new ATOM 0 HB2 CYS A 46 22.870 13.324 -10.727 1.00 0.00 H new ATOM 0 HB3 CYS A 46 23.566 14.651 -11.636 1.00 0.00 H new ATOM 0 HG CYS A 46 23.960 11.312 -12.303 1.00 0.00 H new ATOM 570 N LYS A 47 27.006 13.027 -11.403 1.00 0.00 N ATOM 571 CA LYS A 47 28.231 13.268 -12.142 1.00 0.00 C ATOM 572 C LYS A 47 28.362 12.371 -13.363 1.00 0.00 C ATOM 573 O LYS A 47 29.366 12.429 -14.070 1.00 0.00 O ATOM 574 CB LYS A 47 29.458 13.135 -11.244 1.00 0.00 C ATOM 575 CG LYS A 47 29.659 14.319 -10.317 1.00 0.00 C ATOM 576 CD LYS A 47 30.989 14.240 -9.602 1.00 0.00 C ATOM 577 CE LYS A 47 31.284 15.524 -8.852 1.00 0.00 C ATOM 578 NZ LYS A 47 32.621 15.499 -8.211 1.00 0.00 N ATOM 0 H LYS A 47 26.831 12.050 -11.169 1.00 0.00 H new ATOM 0 HA LYS A 47 28.175 14.296 -12.501 1.00 0.00 H new ATOM 0 HB2 LYS A 47 29.365 12.228 -10.647 1.00 0.00 H new ATOM 0 HB3 LYS A 47 30.344 13.017 -11.868 1.00 0.00 H new ATOM 0 HG2 LYS A 47 29.607 15.245 -10.890 1.00 0.00 H new ATOM 0 HG3 LYS A 47 28.852 14.351 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 47 30.981 13.402 -8.905 1.00 0.00 H new ATOM 0 HD3 LYS A 47 31.782 14.047 -10.324 1.00 0.00 H new ATOM 0 HE2 LYS A 47 31.228 16.367 -9.541 1.00 0.00 H new ATOM 0 HE3 LYS A 47 30.520 15.683 -8.091 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 32.782 16.396 -7.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 32.667 14.710 -7.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 33.353 15.373 -8.939 1.00 0.00 H new ATOM 592 N CYS A 48 27.364 11.545 -13.620 1.00 0.00 N ATOM 593 CA CYS A 48 27.410 10.694 -14.796 1.00 0.00 C ATOM 594 C CYS A 48 26.689 11.377 -15.955 1.00 0.00 C ATOM 595 O CYS A 48 27.122 11.294 -17.111 1.00 0.00 O ATOM 596 CB CYS A 48 26.783 9.330 -14.513 1.00 0.00 C ATOM 597 SG CYS A 48 24.987 9.302 -14.640 1.00 0.00 S ATOM 0 H CYS A 48 26.528 11.445 -13.044 1.00 0.00 H new ATOM 0 HA CYS A 48 28.454 10.534 -15.065 1.00 0.00 H new ATOM 0 HB2 CYS A 48 27.197 8.601 -15.210 1.00 0.00 H new ATOM 0 HB3 CYS A 48 27.070 9.012 -13.511 1.00 0.00 H new ATOM 0 HG CYS A 48 24.472 9.108 -13.462 1.00 0.00 H new ATOM 602 N GLY A 49 25.590 12.066 -15.635 1.00 0.00 N ATOM 603 CA GLY A 49 24.834 12.767 -16.648 1.00 0.00 C ATOM 604 C GLY A 49 23.366 12.360 -16.694 1.00 0.00 C ATOM 605 O GLY A 49 22.592 12.937 -17.443 1.00 0.00 O ATOM 0 H GLY A 49 25.216 12.147 -14.690 1.00 0.00 H new ATOM 0 HA2 GLY A 49 24.901 13.839 -16.464 1.00 0.00 H new ATOM 0 HA3 GLY A 49 25.286 12.581 -17.622 1.00 0.00 H new ATOM 609 N LYS A 50 22.979 11.376 -15.889 1.00 0.00 N ATOM 610 CA LYS A 50 21.586 10.897 -15.878 1.00 0.00 C ATOM 611 C LYS A 50 20.726 11.701 -14.911 1.00 0.00 C ATOM 612 O LYS A 50 19.525 11.448 -14.782 1.00 0.00 O ATOM 613 CB LYS A 50 21.522 9.424 -15.483 1.00 0.00 C ATOM 614 CG LYS A 50 22.256 8.482 -16.416 1.00 0.00 C ATOM 615 CD LYS A 50 21.648 8.457 -17.800 1.00 0.00 C ATOM 616 CE LYS A 50 22.178 7.280 -18.600 1.00 0.00 C ATOM 617 NZ LYS A 50 23.663 7.218 -18.581 1.00 0.00 N ATOM 0 H LYS A 50 23.598 10.893 -15.238 1.00 0.00 H new ATOM 0 HA LYS A 50 21.199 11.025 -16.889 1.00 0.00 H new ATOM 0 HB2 LYS A 50 21.934 9.313 -14.480 1.00 0.00 H new ATOM 0 HB3 LYS A 50 20.476 9.121 -15.433 1.00 0.00 H new ATOM 0 HG2 LYS A 50 23.301 8.784 -16.486 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.243 7.476 -15.997 1.00 0.00 H new ATOM 0 HD2 LYS A 50 20.563 8.392 -17.724 1.00 0.00 H new ATOM 0 HD3 LYS A 50 21.876 9.388 -18.319 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.771 6.354 -18.195 1.00 0.00 H new ATOM 0 HE3 LYS A 50 21.831 7.356 -19.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.006 6.836 -19.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.049 8.174 -18.440 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 23.975 6.601 -17.804 1.00 0.00 H new ATOM 631 N GLU A 51 21.355 12.655 -14.228 1.00 0.00 N ATOM 632 CA GLU A 51 20.686 13.488 -13.230 1.00 0.00 C ATOM 633 C GLU A 51 20.207 12.616 -12.058 1.00 0.00 C ATOM 634 O GLU A 51 19.145 12.841 -11.465 1.00 0.00 O ATOM 635 CB GLU A 51 19.522 14.277 -13.857 1.00 0.00 C ATOM 636 CG GLU A 51 18.956 15.349 -12.945 1.00 0.00 C ATOM 637 CD GLU A 51 17.801 16.091 -13.555 1.00 0.00 C ATOM 638 OE1 GLU A 51 16.726 15.485 -13.729 1.00 0.00 O ATOM 639 OE2 GLU A 51 17.954 17.293 -13.848 1.00 0.00 O ATOM 0 H GLU A 51 22.344 12.873 -14.351 1.00 0.00 H new ATOM 0 HA GLU A 51 21.399 14.218 -12.847 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.865 14.742 -14.781 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.726 13.583 -14.126 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.633 14.890 -12.011 1.00 0.00 H new ATOM 0 HG3 GLU A 51 19.745 16.059 -12.695 1.00 0.00 H new ATOM 646 N CYS A 52 21.008 11.630 -11.723 1.00 0.00 N ATOM 647 CA CYS A 52 20.693 10.737 -10.644 1.00 0.00 C ATOM 648 C CYS A 52 21.607 10.991 -9.463 1.00 0.00 C ATOM 649 O CYS A 52 22.784 11.283 -9.626 1.00 0.00 O ATOM 650 CB CYS A 52 20.826 9.292 -11.097 1.00 0.00 C ATOM 651 SG CYS A 52 22.486 8.836 -11.627 1.00 0.00 S ATOM 0 H CYS A 52 21.891 11.429 -12.192 1.00 0.00 H new ATOM 0 HA CYS A 52 19.663 10.919 -10.338 1.00 0.00 H new ATOM 0 HB2 CYS A 52 20.525 8.637 -10.279 1.00 0.00 H new ATOM 0 HB3 CYS A 52 20.132 9.115 -11.919 1.00 0.00 H new ATOM 0 HG CYS A 52 23.355 9.606 -11.043 1.00 0.00 H new ATOM 656 N THR A 53 21.060 10.913 -8.286 1.00 0.00 N ATOM 657 CA THR A 53 21.828 11.079 -7.087 1.00 0.00 C ATOM 658 C THR A 53 21.520 9.944 -6.125 1.00 0.00 C ATOM 659 O THR A 53 20.705 10.088 -5.210 1.00 0.00 O ATOM 660 CB THR A 53 21.536 12.434 -6.422 1.00 0.00 C ATOM 661 OG1 THR A 53 20.119 12.600 -6.237 1.00 0.00 O ATOM 662 CG2 THR A 53 22.071 13.577 -7.264 1.00 0.00 C ATOM 0 H THR A 53 20.068 10.732 -8.130 1.00 0.00 H new ATOM 0 HA THR A 53 22.886 11.058 -7.348 1.00 0.00 H new ATOM 0 HB THR A 53 22.035 12.448 -5.453 1.00 0.00 H new ATOM 0 HG1 THR A 53 19.754 11.813 -5.781 1.00 0.00 H new ATOM 0 HG21 THR A 53 21.852 14.525 -6.772 1.00 0.00 H new ATOM 0 HG22 THR A 53 23.149 13.469 -7.380 1.00 0.00 H new ATOM 0 HG23 THR A 53 21.597 13.559 -8.245 1.00 0.00 H new ATOM 670 N GLY A 54 22.139 8.808 -6.370 1.00 0.00 N ATOM 671 CA GLY A 54 21.901 7.643 -5.563 1.00 0.00 C ATOM 672 C GLY A 54 21.050 6.626 -6.295 1.00 0.00 C ATOM 673 O GLY A 54 20.353 6.980 -7.251 1.00 0.00 O ATOM 0 H GLY A 54 22.811 8.672 -7.125 1.00 0.00 H new ATOM 0 HA2 GLY A 54 22.853 7.190 -5.286 1.00 0.00 H new ATOM 0 HA3 GLY A 54 21.405 7.935 -4.637 1.00 0.00 H new ATOM 677 N PRO A 55 21.080 5.349 -5.866 1.00 0.00 N ATOM 678 CA PRO A 55 20.325 4.257 -6.510 1.00 0.00 C ATOM 679 C PRO A 55 18.831 4.559 -6.690 1.00 0.00 C ATOM 680 O PRO A 55 18.216 4.097 -7.650 1.00 0.00 O ATOM 681 CB PRO A 55 20.525 3.058 -5.562 1.00 0.00 C ATOM 682 CG PRO A 55 21.110 3.636 -4.310 1.00 0.00 C ATOM 683 CD PRO A 55 21.863 4.861 -4.728 1.00 0.00 C ATOM 0 HA PRO A 55 20.685 4.084 -7.524 1.00 0.00 H new ATOM 0 HB2 PRO A 55 19.579 2.556 -5.359 1.00 0.00 H new ATOM 0 HB3 PRO A 55 21.192 2.316 -6.002 1.00 0.00 H new ATOM 0 HG2 PRO A 55 20.327 3.886 -3.594 1.00 0.00 H new ATOM 0 HG3 PRO A 55 21.771 2.920 -3.823 1.00 0.00 H new ATOM 0 HD2 PRO A 55 21.914 5.598 -3.926 1.00 0.00 H new ATOM 0 HD3 PRO A 55 22.889 4.628 -5.013 1.00 0.00 H new ATOM 691 N ASP A 56 18.262 5.342 -5.778 1.00 0.00 N ATOM 692 CA ASP A 56 16.837 5.697 -5.847 1.00 0.00 C ATOM 693 C ASP A 56 16.523 6.519 -7.092 1.00 0.00 C ATOM 694 O ASP A 56 15.542 6.265 -7.787 1.00 0.00 O ATOM 695 CB ASP A 56 16.414 6.477 -4.602 1.00 0.00 C ATOM 696 CG ASP A 56 15.004 7.029 -4.710 1.00 0.00 C ATOM 697 OD1 ASP A 56 14.043 6.257 -4.518 1.00 0.00 O ATOM 698 OD2 ASP A 56 14.852 8.248 -4.973 1.00 0.00 O ATOM 0 H ASP A 56 18.759 5.744 -4.983 1.00 0.00 H new ATOM 0 HA ASP A 56 16.275 4.764 -5.899 1.00 0.00 H new ATOM 0 HB2 ASP A 56 16.480 5.826 -3.730 1.00 0.00 H new ATOM 0 HB3 ASP A 56 17.111 7.299 -4.439 1.00 0.00 H new ATOM 703 N SER A 57 17.367 7.489 -7.376 1.00 0.00 N ATOM 704 CA SER A 57 17.157 8.365 -8.513 1.00 0.00 C ATOM 705 C SER A 57 17.817 7.795 -9.760 1.00 0.00 C ATOM 706 O SER A 57 17.564 8.253 -10.878 1.00 0.00 O ATOM 707 CB SER A 57 17.729 9.746 -8.211 1.00 0.00 C ATOM 708 OG SER A 57 17.207 10.260 -6.999 1.00 0.00 O ATOM 0 H SER A 57 18.207 7.692 -6.835 1.00 0.00 H new ATOM 0 HA SER A 57 16.086 8.447 -8.695 1.00 0.00 H new ATOM 0 HB2 SER A 57 18.815 9.687 -8.147 1.00 0.00 H new ATOM 0 HB3 SER A 57 17.495 10.427 -9.029 1.00 0.00 H new ATOM 0 HG SER A 57 17.590 11.145 -6.827 1.00 0.00 H new ATOM 714 N CYS A 58 18.652 6.798 -9.557 1.00 0.00 N ATOM 715 CA CYS A 58 19.396 6.190 -10.633 1.00 0.00 C ATOM 716 C CYS A 58 18.491 5.428 -11.591 1.00 0.00 C ATOM 717 O CYS A 58 17.651 4.623 -11.177 1.00 0.00 O ATOM 718 CB CYS A 58 20.471 5.274 -10.076 1.00 0.00 C ATOM 719 SG CYS A 58 21.563 4.595 -11.328 1.00 0.00 S ATOM 0 H CYS A 58 18.832 6.388 -8.640 1.00 0.00 H new ATOM 0 HA CYS A 58 19.868 6.992 -11.201 1.00 0.00 H new ATOM 0 HB2 CYS A 58 21.066 5.827 -9.349 1.00 0.00 H new ATOM 0 HB3 CYS A 58 19.994 4.454 -9.539 1.00 0.00 H new ATOM 0 HG CYS A 58 21.558 5.368 -12.373 1.00 0.00 H new ATOM 724 N LYS A 59 18.682 5.685 -12.866 1.00 0.00 N ATOM 725 CA LYS A 59 17.905 5.058 -13.921 1.00 0.00 C ATOM 726 C LYS A 59 18.827 4.243 -14.819 1.00 0.00 C ATOM 727 O LYS A 59 18.455 3.843 -15.923 1.00 0.00 O ATOM 728 CB LYS A 59 17.198 6.145 -14.742 1.00 0.00 C ATOM 729 CG LYS A 59 18.161 7.135 -15.401 1.00 0.00 C ATOM 730 CD LYS A 59 17.427 8.274 -16.099 1.00 0.00 C ATOM 731 CE LYS A 59 16.722 9.184 -15.102 1.00 0.00 C ATOM 732 NZ LYS A 59 16.046 10.321 -15.774 1.00 0.00 N ATOM 0 H LYS A 59 19.386 6.340 -13.206 1.00 0.00 H new ATOM 0 HA LYS A 59 17.159 4.394 -13.484 1.00 0.00 H new ATOM 0 HB2 LYS A 59 16.593 5.670 -15.514 1.00 0.00 H new ATOM 0 HB3 LYS A 59 16.514 6.692 -14.093 1.00 0.00 H new ATOM 0 HG2 LYS A 59 18.831 7.546 -14.645 1.00 0.00 H new ATOM 0 HG3 LYS A 59 18.782 6.608 -16.125 1.00 0.00 H new ATOM 0 HD2 LYS A 59 18.136 8.858 -16.687 1.00 0.00 H new ATOM 0 HD3 LYS A 59 16.697 7.863 -16.796 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.989 8.607 -14.539 1.00 0.00 H new ATOM 0 HE3 LYS A 59 17.447 9.566 -14.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 15.578 10.917 -15.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 16.749 10.887 -16.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.336 9.957 -16.442 1.00 0.00 H new ATOM 746 N CYS A 60 20.027 4.001 -14.330 1.00 0.00 N ATOM 747 CA CYS A 60 21.047 3.314 -15.093 1.00 0.00 C ATOM 748 C CYS A 60 21.198 1.869 -14.638 1.00 0.00 C ATOM 749 O CYS A 60 20.732 1.491 -13.557 1.00 0.00 O ATOM 750 CB CYS A 60 22.374 4.035 -14.906 1.00 0.00 C ATOM 751 SG CYS A 60 22.205 5.812 -14.642 1.00 0.00 S ATOM 0 H CYS A 60 20.321 4.275 -13.393 1.00 0.00 H new ATOM 0 HA CYS A 60 20.752 3.315 -16.142 1.00 0.00 H new ATOM 0 HB2 CYS A 60 22.897 3.599 -14.055 1.00 0.00 H new ATOM 0 HB3 CYS A 60 22.996 3.865 -15.785 1.00 0.00 H new ATOM 0 HG CYS A 60 23.382 6.342 -14.491 1.00 0.00 H new ATOM 756 N GLY A 61 21.857 1.071 -15.460 1.00 0.00 N ATOM 757 CA GLY A 61 22.120 -0.301 -15.114 1.00 0.00 C ATOM 758 C GLY A 61 23.508 -0.449 -14.534 1.00 0.00 C ATOM 759 O GLY A 61 24.154 0.543 -14.216 1.00 0.00 O ATOM 0 H GLY A 61 22.217 1.357 -16.371 1.00 0.00 H new ATOM 0 HA2 GLY A 61 21.380 -0.648 -14.392 1.00 0.00 H new ATOM 0 HA3 GLY A 61 22.021 -0.930 -15.999 1.00 0.00 H new ATOM 763 N SER A 62 23.986 -1.666 -14.431 1.00 0.00 N ATOM 764 CA SER A 62 25.302 -1.929 -13.864 1.00 0.00 C ATOM 765 C SER A 62 26.405 -1.791 -14.925 1.00 0.00 C ATOM 766 O SER A 62 27.487 -2.373 -14.790 1.00 0.00 O ATOM 767 CB SER A 62 25.336 -3.335 -13.255 1.00 0.00 C ATOM 768 OG SER A 62 24.287 -3.509 -12.313 1.00 0.00 O ATOM 0 H SER A 62 23.484 -2.501 -14.733 1.00 0.00 H new ATOM 0 HA SER A 62 25.489 -1.190 -13.085 1.00 0.00 H new ATOM 0 HB2 SER A 62 25.246 -4.080 -14.046 1.00 0.00 H new ATOM 0 HB3 SER A 62 26.297 -3.501 -12.769 1.00 0.00 H new ATOM 0 HG SER A 62 24.329 -4.414 -11.940 1.00 0.00 H new ATOM 774 N SER A 63 26.141 -1.001 -15.960 1.00 0.00 N ATOM 775 CA SER A 63 27.099 -0.827 -17.039 1.00 0.00 C ATOM 776 C SER A 63 27.310 0.656 -17.375 1.00 0.00 C ATOM 777 O SER A 63 27.788 0.994 -18.458 1.00 0.00 O ATOM 778 CB SER A 63 26.619 -1.585 -18.273 1.00 0.00 C ATOM 779 OG SER A 63 26.306 -2.933 -17.950 1.00 0.00 O ATOM 0 H SER A 63 25.275 -0.474 -16.072 1.00 0.00 H new ATOM 0 HA SER A 63 28.058 -1.228 -16.712 1.00 0.00 H new ATOM 0 HB2 SER A 63 25.740 -1.093 -18.688 1.00 0.00 H new ATOM 0 HB3 SER A 63 27.391 -1.561 -19.043 1.00 0.00 H new ATOM 0 HG SER A 63 25.999 -3.399 -18.755 1.00 0.00 H new ATOM 785 N CYS A 64 26.967 1.531 -16.445 1.00 0.00 N ATOM 786 CA CYS A 64 27.122 2.963 -16.663 1.00 0.00 C ATOM 787 C CYS A 64 28.397 3.486 -15.988 1.00 0.00 C ATOM 788 O CYS A 64 29.048 2.767 -15.223 1.00 0.00 O ATOM 789 CB CYS A 64 25.896 3.718 -16.144 1.00 0.00 C ATOM 790 SG CYS A 64 25.913 5.493 -16.492 1.00 0.00 S ATOM 0 H CYS A 64 26.581 1.279 -15.535 1.00 0.00 H new ATOM 0 HA CYS A 64 27.210 3.135 -17.736 1.00 0.00 H new ATOM 0 HB2 CYS A 64 25.001 3.281 -16.587 1.00 0.00 H new ATOM 0 HB3 CYS A 64 25.823 3.572 -15.066 1.00 0.00 H new ATOM 0 HG CYS A 64 24.834 6.039 -16.015 1.00 0.00 H new ATOM 795 N SER A 65 28.733 4.740 -16.272 1.00 0.00 N ATOM 796 CA SER A 65 29.913 5.387 -15.718 1.00 0.00 C ATOM 797 C SER A 65 29.851 5.457 -14.194 1.00 0.00 C ATOM 798 O SER A 65 30.873 5.329 -13.518 1.00 0.00 O ATOM 799 CB SER A 65 30.053 6.791 -16.297 1.00 0.00 C ATOM 800 OG SER A 65 30.151 6.751 -17.711 1.00 0.00 O ATOM 0 H SER A 65 28.191 5.337 -16.896 1.00 0.00 H new ATOM 0 HA SER A 65 30.783 4.789 -15.990 1.00 0.00 H new ATOM 0 HB2 SER A 65 29.194 7.396 -16.006 1.00 0.00 H new ATOM 0 HB3 SER A 65 30.938 7.273 -15.881 1.00 0.00 H new ATOM 0 HG SER A 65 30.238 7.663 -18.059 1.00 0.00 H new ATOM 806 N CYS A 66 28.649 5.631 -13.652 1.00 0.00 N ATOM 807 CA CYS A 66 28.481 5.726 -12.209 1.00 0.00 C ATOM 808 C CYS A 66 28.421 4.336 -11.568 1.00 0.00 C ATOM 809 O CYS A 66 27.896 4.168 -10.464 1.00 0.00 O ATOM 810 CB CYS A 66 27.225 6.541 -11.858 1.00 0.00 C ATOM 811 SG CYS A 66 25.661 5.793 -12.381 1.00 0.00 S ATOM 0 H CYS A 66 27.784 5.708 -14.187 1.00 0.00 H new ATOM 0 HA CYS A 66 29.350 6.245 -11.805 1.00 0.00 H new ATOM 0 HB2 CYS A 66 27.197 6.691 -10.779 1.00 0.00 H new ATOM 0 HB3 CYS A 66 27.310 7.527 -12.314 1.00 0.00 H new ATOM 0 HG CYS A 66 24.674 6.563 -12.032 1.00 0.00 H new ATOM 816 N LYS A 67 28.956 3.340 -12.262 1.00 0.00 N ATOM 817 CA LYS A 67 28.996 1.978 -11.741 1.00 0.00 C ATOM 818 C LYS A 67 30.435 1.497 -11.649 1.00 0.00 C ATOM 819 O LYS A 67 31.148 1.968 -10.722 1.00 0.00 O ATOM 820 CB LYS A 67 28.185 1.023 -12.625 1.00 0.00 C ATOM 821 CG LYS A 67 26.809 1.542 -13.005 1.00 0.00 C ATOM 822 CD LYS A 67 26.009 1.968 -11.789 1.00 0.00 C ATOM 823 CE LYS A 67 24.722 2.649 -12.200 1.00 0.00 C ATOM 824 NZ LYS A 67 24.153 3.447 -11.103 1.00 0.00 N ATOM 0 H LYS A 67 29.369 3.449 -13.188 1.00 0.00 H new ATOM 0 HA LYS A 67 28.551 1.984 -10.746 1.00 0.00 H new ATOM 0 HB2 LYS A 67 28.749 0.822 -13.536 1.00 0.00 H new ATOM 0 HB3 LYS A 67 28.071 0.072 -12.104 1.00 0.00 H new ATOM 0 HG2 LYS A 67 26.915 2.388 -13.684 1.00 0.00 H new ATOM 0 HG3 LYS A 67 26.265 0.767 -13.544 1.00 0.00 H new ATOM 0 HD2 LYS A 67 25.784 1.097 -11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 67 26.604 2.646 -11.177 1.00 0.00 H new ATOM 0 HE2 LYS A 67 24.910 3.293 -13.059 1.00 0.00 H new ATOM 0 HE3 LYS A 67 23.998 1.898 -12.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 23.166 3.687 -11.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 24.186 2.898 -10.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 24.704 4.321 -10.987 1.00 0.00 H new