USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 568 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 68 CYS SG : rot -168:sc= -2.2! USER MOD Set 1.2: A 71 CYS SG : rot -108:sc= -1.78 USER MOD Set 1.3: A 84 HIS : no HE2:sc= -4.9! C(o=-7.8!,f=-9.3!) USER MOD Set 1.4: A 88 CYS SG : rot 128:sc= 1.11 USER MOD Set 2.1: A 40 CYS SG : rot 168:sc= -2.2 USER MOD Set 2.2: A 43 CYS SG : rot -66:sc= -1.16 USER MOD Set 2.3: A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.4: A 56 HIS : no HE2:sc= -4.14! X(o=-18!,f=-17) USER MOD Set 2.5: A 57 MET CE :methyl 175:sc= -5.58! (180deg=-2.98!) USER MOD Set 2.6: A 60 HIS : no HD1:sc= -4.82! C(o=-18!,f=-17!) USER MOD Set 3.1: A 13 CYS SG : rot -173:sc= 0.42 USER MOD Set 3.2: A 15 CYS SG : rot -64:sc= -0.121 USER MOD Set 3.3: A 28 HIS : no HD1:sc= 0.261 K(o=-5,f=-7.6) USER MOD Set 3.4: A 31 MET CE :methyl -137:sc= -0.128 (180deg=0) USER MOD Set 3.5: A 32 HIS : no HD1:sc= -5.42! C(o=-5!,f=-6.4!) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.07) USER MOD Single : A 18 SER OG : rot 31:sc= 0.233 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.0459 X(o=-0.046,f=-0.17) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.907 K(o=-0.91,f=-3.9!) USER MOD Single : A 29 MET CE :methyl -118:sc= -0.126 (180deg=-0.923) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HE2:sc= -3.12! C(o=-3.1!,f=-5!) USER MOD Single : A 52 HIS : no HD1:sc= -0.812 K(o=-0.81,f=-2.1!) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 15:sc= -0.369 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -149:sc= -0.362 (180deg=-1.34!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.823 K(o=-0.82,f=-1.7) USER MOD Single : A 86 THR OG1 : rot 67:sc= 0.842 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 67:sc= 0.812 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N TYR A 11 1.883 6.861 16.663 1.00 0.00 N ATOM 120 CA TYR A 11 3.326 6.901 16.867 1.00 0.00 C ATOM 121 C TYR A 11 4.057 7.131 15.548 1.00 0.00 C ATOM 122 O TYR A 11 3.870 6.407 14.571 1.00 0.00 O ATOM 123 CB TYR A 11 3.807 5.599 17.510 1.00 0.00 C ATOM 124 CG TYR A 11 3.223 5.349 18.882 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.853 5.201 19.059 1.00 0.00 C ATOM 126 CD2 TYR A 11 4.041 5.261 20.002 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.315 4.973 20.311 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.512 5.032 21.257 1.00 0.00 C ATOM 129 CZ TYR A 11 2.148 4.889 21.407 1.00 0.00 C ATOM 130 OH TYR A 11 1.616 4.661 22.655 1.00 0.00 O ATOM 0 HA TYR A 11 3.550 7.733 17.535 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.550 4.765 16.857 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.894 5.621 17.586 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.197 5.265 18.203 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.109 5.374 19.889 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.248 4.861 20.431 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.163 4.965 22.116 1.00 0.00 H new ATOM 0 HH TYR A 11 2.338 4.629 23.317 1.00 0.00 H new ATOM 140 N PRO A 12 4.912 8.164 15.520 1.00 0.00 N ATOM 141 CA PRO A 12 5.691 8.514 14.328 1.00 0.00 C ATOM 142 C PRO A 12 6.772 7.483 14.019 1.00 0.00 C ATOM 143 O PRO A 12 7.662 7.238 14.833 1.00 0.00 O ATOM 144 CB PRO A 12 6.324 9.857 14.699 1.00 0.00 C ATOM 145 CG PRO A 12 6.387 9.847 16.188 1.00 0.00 C ATOM 146 CD PRO A 12 5.185 9.069 16.648 1.00 0.00 C ATOM 0 HA PRO A 12 5.070 8.553 13.433 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.317 9.961 14.261 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.725 10.691 14.334 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.309 9.382 16.536 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.371 10.862 16.586 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.391 8.517 17.565 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.337 9.723 16.853 1.00 0.00 H new ATOM 154 N CYS A 13 6.689 6.883 12.836 1.00 0.00 N ATOM 155 CA CYS A 13 7.660 5.879 12.418 1.00 0.00 C ATOM 156 C CYS A 13 8.819 6.523 11.664 1.00 0.00 C ATOM 157 O CYS A 13 8.722 7.666 11.216 1.00 0.00 O ATOM 158 CB CYS A 13 6.987 4.824 11.537 1.00 0.00 C ATOM 159 SG CYS A 13 8.042 3.388 11.159 1.00 0.00 S ATOM 0 H CYS A 13 5.959 7.075 12.150 1.00 0.00 H new ATOM 0 HA CYS A 13 8.055 5.398 13.313 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.082 4.475 12.034 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.678 5.291 10.602 1.00 0.00 H new ATOM 0 HG CYS A 13 7.445 2.627 10.290 1.00 0.00 H new ATOM 164 N GLN A 14 9.914 5.783 11.528 1.00 0.00 N ATOM 165 CA GLN A 14 11.092 6.283 10.829 1.00 0.00 C ATOM 166 C GLN A 14 10.749 6.675 9.396 1.00 0.00 C ATOM 167 O GLN A 14 11.153 7.735 8.917 1.00 0.00 O ATOM 168 CB GLN A 14 12.199 5.226 10.830 1.00 0.00 C ATOM 169 CG GLN A 14 13.548 5.759 10.376 1.00 0.00 C ATOM 170 CD GLN A 14 14.412 4.689 9.736 1.00 0.00 C ATOM 171 OE1 GLN A 14 14.887 4.850 8.612 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.620 3.590 10.451 1.00 0.00 N ATOM 0 H GLN A 14 10.010 4.835 11.892 1.00 0.00 H new ATOM 0 HA GLN A 14 11.446 7.170 11.354 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.299 4.817 11.835 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.905 4.403 10.179 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.393 6.570 9.664 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.074 6.182 11.232 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.206 3.499 11.379 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.194 2.836 10.072 1.00 0.00 H new ATOM 181 N CYS A 15 10.001 5.813 8.715 1.00 0.00 N ATOM 182 CA CYS A 15 9.603 6.068 7.336 1.00 0.00 C ATOM 183 C CYS A 15 8.707 7.300 7.247 1.00 0.00 C ATOM 184 O CYS A 15 8.651 7.966 6.214 1.00 0.00 O ATOM 185 CB CYS A 15 8.875 4.852 6.760 1.00 0.00 C ATOM 186 SG CYS A 15 7.342 4.416 7.642 1.00 0.00 S ATOM 0 H CYS A 15 9.658 4.931 9.096 1.00 0.00 H new ATOM 0 HA CYS A 15 10.505 6.253 6.753 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.637 5.046 5.714 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.549 3.996 6.780 1.00 0.00 H new ATOM 0 HG CYS A 15 7.628 4.063 8.860 1.00 0.00 H new ATOM 191 N GLY A 16 8.008 7.596 8.338 1.00 0.00 N ATOM 192 CA GLY A 16 7.124 8.747 8.363 1.00 0.00 C ATOM 193 C GLY A 16 5.696 8.374 8.706 1.00 0.00 C ATOM 194 O GLY A 16 4.912 9.218 9.142 1.00 0.00 O ATOM 0 H GLY A 16 8.038 7.060 9.205 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.493 9.469 9.092 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.144 9.238 7.390 1.00 0.00 H new ATOM 198 N LYS A 17 5.354 7.105 8.509 1.00 0.00 N ATOM 199 CA LYS A 17 4.010 6.620 8.799 1.00 0.00 C ATOM 200 C LYS A 17 3.687 6.767 10.283 1.00 0.00 C ATOM 201 O LYS A 17 4.569 7.048 11.095 1.00 0.00 O ATOM 202 CB LYS A 17 3.871 5.155 8.379 1.00 0.00 C ATOM 203 CG LYS A 17 4.075 4.928 6.891 1.00 0.00 C ATOM 204 CD LYS A 17 3.924 3.461 6.526 1.00 0.00 C ATOM 205 CE LYS A 17 2.485 3.121 6.168 1.00 0.00 C ATOM 206 NZ LYS A 17 2.107 3.647 4.827 1.00 0.00 N ATOM 0 H LYS A 17 5.990 6.393 8.149 1.00 0.00 H new ATOM 0 HA LYS A 17 3.303 7.223 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.595 4.557 8.932 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.881 4.797 8.660 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.353 5.520 6.329 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.067 5.276 6.601 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.575 3.226 5.684 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.248 2.842 7.362 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.353 2.039 6.184 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.816 3.535 6.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.210 3.216 4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.995 4.680 4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.852 3.414 4.140 1.00 0.00 H new ATOM 220 N SER A 18 2.419 6.573 10.630 1.00 0.00 N ATOM 221 CA SER A 18 1.980 6.686 12.017 1.00 0.00 C ATOM 222 C SER A 18 1.060 5.529 12.391 1.00 0.00 C ATOM 223 O SER A 18 0.064 5.268 11.715 1.00 0.00 O ATOM 224 CB SER A 18 1.261 8.018 12.239 1.00 0.00 C ATOM 225 OG SER A 18 0.160 8.156 11.357 1.00 0.00 O ATOM 0 H SER A 18 1.677 6.337 9.971 1.00 0.00 H new ATOM 0 HA SER A 18 2.862 6.647 12.656 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.915 8.081 13.271 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.959 8.841 12.087 1.00 0.00 H new ATOM 0 HG SER A 18 -0.211 7.271 11.156 1.00 0.00 H new ATOM 231 N PHE A 19 1.400 4.837 13.473 1.00 0.00 N ATOM 232 CA PHE A 19 0.605 3.706 13.939 1.00 0.00 C ATOM 233 C PHE A 19 -0.065 4.024 15.272 1.00 0.00 C ATOM 234 O PHE A 19 0.471 4.777 16.086 1.00 0.00 O ATOM 235 CB PHE A 19 1.485 2.462 14.081 1.00 0.00 C ATOM 236 CG PHE A 19 2.257 2.128 12.837 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.333 2.909 12.444 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.909 1.034 12.062 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.045 2.604 11.299 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.618 0.724 10.917 1.00 0.00 C ATOM 241 CZ PHE A 19 3.688 1.510 10.535 1.00 0.00 C ATOM 0 H PHE A 19 2.221 5.039 14.044 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.172 3.511 13.200 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.184 2.614 14.903 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.858 1.612 14.349 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.618 3.764 13.039 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.074 0.416 12.356 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.880 3.221 11.002 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.336 -0.132 10.322 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.244 1.270 9.641 1.00 0.00 H new ATOM 251 N THR A 20 -1.242 3.445 15.489 1.00 0.00 N ATOM 252 CA THR A 20 -1.988 3.668 16.721 1.00 0.00 C ATOM 253 C THR A 20 -1.355 2.919 17.889 1.00 0.00 C ATOM 254 O THR A 20 -1.493 3.321 19.045 1.00 0.00 O ATOM 255 CB THR A 20 -3.456 3.225 16.577 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.059 3.885 15.459 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.242 3.537 17.842 1.00 0.00 C ATOM 0 H THR A 20 -1.699 2.818 14.827 1.00 0.00 H new ATOM 0 HA THR A 20 -1.958 4.739 16.920 1.00 0.00 H new ATOM 0 HB THR A 20 -3.473 2.147 16.414 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.992 3.597 15.373 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.276 3.215 17.717 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.798 3.009 18.686 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.216 4.610 18.031 1.00 0.00 H new ATOM 265 N HIS A 21 -0.661 1.829 17.581 1.00 0.00 N ATOM 266 CA HIS A 21 -0.005 1.024 18.606 1.00 0.00 C ATOM 267 C HIS A 21 1.512 1.162 18.517 1.00 0.00 C ATOM 268 O HIS A 21 2.069 1.319 17.431 1.00 0.00 O ATOM 269 CB HIS A 21 -0.405 -0.445 18.464 1.00 0.00 C ATOM 270 CG HIS A 21 -1.730 -0.768 19.082 1.00 0.00 C ATOM 271 ND1 HIS A 21 -2.052 -0.444 20.383 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.818 -1.388 18.570 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.281 -0.852 20.645 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.768 -1.428 19.561 1.00 0.00 N ATOM 0 H HIS A 21 -0.538 1.482 16.630 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.328 1.388 19.581 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.434 -0.704 17.406 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.362 -1.068 18.924 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.920 -1.779 17.568 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.799 -0.734 21.585 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.699 -1.836 19.474 1.00 0.00 H new ATOM 282 N LYS A 22 2.174 1.103 19.667 1.00 0.00 N ATOM 283 CA LYS A 22 3.627 1.220 19.721 1.00 0.00 C ATOM 284 C LYS A 22 4.294 0.029 19.042 1.00 0.00 C ATOM 285 O LYS A 22 5.256 0.189 18.291 1.00 0.00 O ATOM 286 CB LYS A 22 4.097 1.323 21.173 1.00 0.00 C ATOM 287 CG LYS A 22 5.609 1.347 21.323 1.00 0.00 C ATOM 288 CD LYS A 22 6.171 2.737 21.079 1.00 0.00 C ATOM 289 CE LYS A 22 7.550 2.898 21.702 1.00 0.00 C ATOM 290 NZ LYS A 22 7.468 3.277 23.139 1.00 0.00 N ATOM 0 H LYS A 22 1.728 0.975 20.575 1.00 0.00 H new ATOM 0 HA LYS A 22 3.914 2.126 19.188 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.682 2.228 21.617 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.698 0.479 21.736 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.882 1.014 22.324 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.057 0.644 20.620 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.231 2.923 20.007 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.493 3.483 21.495 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.104 1.965 21.604 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.108 3.659 21.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.428 3.377 23.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.961 4.181 23.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.958 2.539 23.664 1.00 0.00 H new ATOM 304 N SER A 23 3.777 -1.166 19.310 1.00 0.00 N ATOM 305 CA SER A 23 4.325 -2.385 18.727 1.00 0.00 C ATOM 306 C SER A 23 4.302 -2.316 17.203 1.00 0.00 C ATOM 307 O SER A 23 5.291 -2.630 16.542 1.00 0.00 O ATOM 308 CB SER A 23 3.536 -3.604 19.206 1.00 0.00 C ATOM 309 OG SER A 23 3.661 -3.775 20.607 1.00 0.00 O ATOM 0 H SER A 23 2.979 -1.316 19.927 1.00 0.00 H new ATOM 0 HA SER A 23 5.361 -2.481 19.053 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.485 -3.487 18.943 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.895 -4.497 18.694 1.00 0.00 H new ATOM 0 HG SER A 23 3.146 -4.560 20.888 1.00 0.00 H new ATOM 315 N GLN A 24 3.165 -1.902 16.653 1.00 0.00 N ATOM 316 CA GLN A 24 3.011 -1.792 15.207 1.00 0.00 C ATOM 317 C GLN A 24 4.094 -0.899 14.611 1.00 0.00 C ATOM 318 O GLN A 24 4.630 -1.187 13.541 1.00 0.00 O ATOM 319 CB GLN A 24 1.628 -1.237 14.861 1.00 0.00 C ATOM 320 CG GLN A 24 0.483 -2.108 15.352 1.00 0.00 C ATOM 321 CD GLN A 24 0.516 -3.504 14.761 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.440 -4.276 15.016 1.00 0.00 O ATOM 323 NE2 GLN A 24 -0.495 -3.835 13.967 1.00 0.00 N ATOM 0 H GLN A 24 2.337 -1.637 17.187 1.00 0.00 H new ATOM 0 HA GLN A 24 3.112 -2.789 14.779 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.527 -0.241 15.292 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.551 -1.125 13.780 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.524 -2.177 16.439 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.465 -1.633 15.098 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -1.240 -3.163 13.783 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.527 -4.761 13.541 1.00 0.00 H new ATOM 332 N ARG A 25 4.412 0.185 15.311 1.00 0.00 N ATOM 333 CA ARG A 25 5.430 1.121 14.850 1.00 0.00 C ATOM 334 C ARG A 25 6.826 0.526 15.006 1.00 0.00 C ATOM 335 O ARG A 25 7.680 0.683 14.133 1.00 0.00 O ATOM 336 CB ARG A 25 5.334 2.436 15.627 1.00 0.00 C ATOM 337 CG ARG A 25 6.483 3.392 15.350 1.00 0.00 C ATOM 338 CD ARG A 25 7.640 3.166 16.311 1.00 0.00 C ATOM 339 NE ARG A 25 7.430 3.843 17.588 1.00 0.00 N ATOM 340 CZ ARG A 25 7.734 5.118 17.803 1.00 0.00 C ATOM 341 NH1 ARG A 25 8.257 5.851 16.830 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.514 5.663 18.992 1.00 0.00 N ATOM 0 H ARG A 25 3.979 0.437 16.200 1.00 0.00 H new ATOM 0 HA ARG A 25 5.254 1.318 13.793 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.394 2.928 15.377 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.304 2.216 16.694 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.829 3.259 14.325 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.131 4.420 15.437 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.765 2.097 16.483 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.564 3.526 15.857 1.00 0.00 H new ATOM 0 HE ARG A 25 7.028 3.307 18.357 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.427 5.436 15.914 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.490 6.830 16.998 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.111 5.103 19.743 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.748 6.642 19.155 1.00 0.00 H new ATOM 356 N ASP A 26 7.051 -0.156 16.123 1.00 0.00 N ATOM 357 CA ASP A 26 8.343 -0.776 16.394 1.00 0.00 C ATOM 358 C ASP A 26 8.700 -1.785 15.307 1.00 0.00 C ATOM 359 O ASP A 26 9.780 -1.722 14.719 1.00 0.00 O ATOM 360 CB ASP A 26 8.327 -1.463 17.760 1.00 0.00 C ATOM 361 CG ASP A 26 8.604 -0.499 18.897 1.00 0.00 C ATOM 362 OD1 ASP A 26 8.014 0.601 18.898 1.00 0.00 O ATOM 363 OD2 ASP A 26 9.412 -0.844 19.784 1.00 0.00 O ATOM 0 H ASP A 26 6.355 -0.294 16.856 1.00 0.00 H new ATOM 0 HA ASP A 26 9.100 0.008 16.400 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.356 -1.934 17.915 1.00 0.00 H new ATOM 0 HB3 ASP A 26 9.072 -2.258 17.772 1.00 0.00 H new ATOM 368 N ARG A 27 7.787 -2.714 15.046 1.00 0.00 N ATOM 369 CA ARG A 27 8.007 -3.738 14.032 1.00 0.00 C ATOM 370 C ARG A 27 8.311 -3.105 12.677 1.00 0.00 C ATOM 371 O ARG A 27 9.038 -3.675 11.863 1.00 0.00 O ATOM 372 CB ARG A 27 6.780 -4.645 13.918 1.00 0.00 C ATOM 373 CG ARG A 27 5.554 -3.944 13.358 1.00 0.00 C ATOM 374 CD ARG A 27 4.505 -4.943 12.893 1.00 0.00 C ATOM 375 NE ARG A 27 3.839 -5.600 14.014 1.00 0.00 N ATOM 376 CZ ARG A 27 3.186 -6.752 13.909 1.00 0.00 C ATOM 377 NH1 ARG A 27 3.112 -7.371 12.739 1.00 0.00 N ATOM 378 NH2 ARG A 27 2.606 -7.287 14.975 1.00 0.00 N ATOM 0 H ARG A 27 6.888 -2.779 15.523 1.00 0.00 H new ATOM 0 HA ARG A 27 8.866 -4.336 14.336 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.025 -5.495 13.281 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.541 -5.044 14.904 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.126 -3.293 14.120 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.847 -3.307 12.523 1.00 0.00 H new ATOM 0 HD2 ARG A 27 3.763 -4.431 12.281 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.976 -5.695 12.260 1.00 0.00 H new ATOM 0 HE ARG A 27 3.877 -5.149 14.928 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.557 -6.963 11.917 1.00 0.00 H new ATOM 0 HH12 ARG A 27 2.610 -8.255 12.661 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.661 -6.814 15.877 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.105 -8.172 14.893 1.00 0.00 H new ATOM 392 N HIS A 28 7.750 -1.923 12.442 1.00 0.00 N ATOM 393 CA HIS A 28 7.961 -1.212 11.186 1.00 0.00 C ATOM 394 C HIS A 28 9.264 -0.420 11.223 1.00 0.00 C ATOM 395 O HIS A 28 9.748 0.046 10.192 1.00 0.00 O ATOM 396 CB HIS A 28 6.788 -0.273 10.904 1.00 0.00 C ATOM 397 CG HIS A 28 6.533 -0.056 9.444 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.661 1.174 8.833 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.157 -0.920 8.472 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.373 1.056 7.549 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.065 -0.205 7.304 1.00 0.00 N ATOM 0 H HIS A 28 7.146 -1.437 13.105 1.00 0.00 H new ATOM 0 HA HIS A 28 8.027 -1.949 10.386 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.888 -0.680 11.365 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.981 0.689 11.378 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.965 -1.976 8.593 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.387 1.855 6.823 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.802 -0.585 6.395 1.00 0.00 H new ATOM 409 N MET A 29 9.827 -0.272 12.418 1.00 0.00 N ATOM 410 CA MET A 29 11.075 0.464 12.588 1.00 0.00 C ATOM 411 C MET A 29 12.278 -0.456 12.403 1.00 0.00 C ATOM 412 O MET A 29 13.254 -0.092 11.747 1.00 0.00 O ATOM 413 CB MET A 29 11.124 1.115 13.972 1.00 0.00 C ATOM 414 CG MET A 29 10.571 2.531 13.998 1.00 0.00 C ATOM 415 SD MET A 29 11.275 3.526 15.326 1.00 0.00 S ATOM 416 CE MET A 29 12.962 3.710 14.755 1.00 0.00 C ATOM 0 H MET A 29 9.440 -0.651 13.282 1.00 0.00 H new ATOM 0 HA MET A 29 11.115 1.243 11.827 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.560 0.501 14.674 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.157 1.131 14.321 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.773 3.013 13.042 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.488 2.492 14.113 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.641 3.252 15.474 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.074 3.221 13.788 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.199 4.769 14.655 1.00 0.00 H new ATOM 426 N SER A 30 12.201 -1.648 12.986 1.00 0.00 N ATOM 427 CA SER A 30 13.286 -2.618 12.889 1.00 0.00 C ATOM 428 C SER A 30 13.435 -3.123 11.457 1.00 0.00 C ATOM 429 O SER A 30 14.546 -3.370 10.988 1.00 0.00 O ATOM 430 CB SER A 30 13.032 -3.794 13.833 1.00 0.00 C ATOM 431 OG SER A 30 13.925 -4.863 13.568 1.00 0.00 O ATOM 0 H SER A 30 11.399 -1.965 13.530 1.00 0.00 H new ATOM 0 HA SER A 30 14.212 -2.122 13.179 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.148 -3.467 14.866 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.004 -4.139 13.721 1.00 0.00 H new ATOM 0 HG SER A 30 13.743 -5.602 14.186 1.00 0.00 H new ATOM 437 N MET A 31 12.309 -3.274 10.769 1.00 0.00 N ATOM 438 CA MET A 31 12.314 -3.749 9.390 1.00 0.00 C ATOM 439 C MET A 31 13.094 -2.796 8.490 1.00 0.00 C ATOM 440 O MET A 31 13.787 -3.225 7.567 1.00 0.00 O ATOM 441 CB MET A 31 10.882 -3.899 8.874 1.00 0.00 C ATOM 442 CG MET A 31 10.161 -2.574 8.687 1.00 0.00 C ATOM 443 SD MET A 31 10.504 -1.816 7.087 1.00 0.00 S ATOM 444 CE MET A 31 8.934 -2.055 6.257 1.00 0.00 C ATOM 0 H MET A 31 11.381 -3.075 11.143 1.00 0.00 H new ATOM 0 HA MET A 31 12.803 -4.723 9.369 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.901 -4.430 7.922 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.316 -4.516 9.572 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.087 -2.732 8.787 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.458 -1.888 9.481 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.110 -2.380 5.232 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.356 -2.814 6.784 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.380 -1.116 6.250 1.00 0.00 H new ATOM 454 N HIS A 32 12.976 -1.501 8.764 1.00 0.00 N ATOM 455 CA HIS A 32 13.671 -0.487 7.978 1.00 0.00 C ATOM 456 C HIS A 32 15.174 -0.747 7.963 1.00 0.00 C ATOM 457 O HIS A 32 15.790 -0.827 6.900 1.00 0.00 O ATOM 458 CB HIS A 32 13.388 0.907 8.541 1.00 0.00 C ATOM 459 CG HIS A 32 11.984 1.373 8.308 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.299 1.142 7.133 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.135 2.060 9.108 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.090 1.668 7.221 1.00 0.00 C ATOM 463 NE2 HIS A 32 9.965 2.230 8.409 1.00 0.00 N ATOM 0 H HIS A 32 12.406 -1.129 9.524 1.00 0.00 H new ATOM 0 HA HIS A 32 13.301 -0.539 6.954 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.588 0.905 9.612 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.078 1.619 8.089 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.340 2.409 10.109 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.333 1.642 6.452 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.134 2.712 8.752 1.00 0.00 H new ATOM 582 N CYS A 40 18.361 -17.607 5.678 1.00 0.00 N ATOM 583 CA CYS A 40 18.164 -18.955 5.161 1.00 0.00 C ATOM 584 C CYS A 40 18.483 -19.018 3.670 1.00 0.00 C ATOM 585 O CYS A 40 17.706 -18.552 2.838 1.00 0.00 O ATOM 586 CB CYS A 40 16.725 -19.412 5.406 1.00 0.00 C ATOM 587 SG CYS A 40 16.312 -21.012 4.637 1.00 0.00 S ATOM 0 HA CYS A 40 18.845 -19.623 5.688 1.00 0.00 H new ATOM 0 HB2 CYS A 40 16.555 -19.483 6.480 1.00 0.00 H new ATOM 0 HB3 CYS A 40 16.044 -18.651 5.025 1.00 0.00 H new ATOM 0 HG CYS A 40 15.175 -21.437 5.103 1.00 0.00 H new ATOM 592 N GLY A 41 19.634 -19.599 3.341 1.00 0.00 N ATOM 593 CA GLY A 41 20.036 -19.712 1.951 1.00 0.00 C ATOM 594 C GLY A 41 19.384 -20.890 1.253 1.00 0.00 C ATOM 595 O GLY A 41 19.912 -21.408 0.269 1.00 0.00 O ATOM 0 H GLY A 41 20.294 -19.993 4.012 1.00 0.00 H new ATOM 0 HA2 GLY A 41 19.777 -18.793 1.425 1.00 0.00 H new ATOM 0 HA3 GLY A 41 21.120 -19.816 1.897 1.00 0.00 H new ATOM 599 N VAL A 42 18.232 -21.315 1.764 1.00 0.00 N ATOM 600 CA VAL A 42 17.508 -22.439 1.184 1.00 0.00 C ATOM 601 C VAL A 42 16.194 -21.983 0.560 1.00 0.00 C ATOM 602 O VAL A 42 15.835 -22.406 -0.539 1.00 0.00 O ATOM 603 CB VAL A 42 17.213 -23.522 2.239 1.00 0.00 C ATOM 604 CG1 VAL A 42 16.483 -24.698 1.609 1.00 0.00 C ATOM 605 CG2 VAL A 42 18.501 -23.979 2.907 1.00 0.00 C ATOM 0 H VAL A 42 17.781 -20.898 2.578 1.00 0.00 H new ATOM 0 HA VAL A 42 18.148 -22.861 0.409 1.00 0.00 H new ATOM 0 HB VAL A 42 16.566 -23.092 3.004 1.00 0.00 H new ATOM 0 HG11 VAL A 42 16.284 -25.452 2.370 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.540 -24.355 1.182 1.00 0.00 H new ATOM 0 HG13 VAL A 42 17.101 -25.131 0.822 1.00 0.00 H new ATOM 0 HG21 VAL A 42 18.274 -24.744 3.649 1.00 0.00 H new ATOM 0 HG22 VAL A 42 19.174 -24.391 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 42 18.979 -23.130 3.396 1.00 0.00 H new ATOM 615 N CYS A 43 15.479 -21.115 1.268 1.00 0.00 N ATOM 616 CA CYS A 43 14.203 -20.599 0.785 1.00 0.00 C ATOM 617 C CYS A 43 14.278 -19.093 0.554 1.00 0.00 C ATOM 618 O CYS A 43 13.687 -18.568 -0.388 1.00 0.00 O ATOM 619 CB CYS A 43 13.089 -20.919 1.783 1.00 0.00 C ATOM 620 SG CYS A 43 13.103 -19.872 3.274 1.00 0.00 S ATOM 0 H CYS A 43 15.762 -20.754 2.179 1.00 0.00 H new ATOM 0 HA CYS A 43 13.980 -21.084 -0.165 1.00 0.00 H new ATOM 0 HB2 CYS A 43 12.126 -20.809 1.284 1.00 0.00 H new ATOM 0 HB3 CYS A 43 13.175 -21.963 2.084 1.00 0.00 H new ATOM 0 HG CYS A 43 14.176 -20.117 3.966 1.00 0.00 H new ATOM 625 N GLY A 44 15.010 -18.402 1.423 1.00 0.00 N ATOM 626 CA GLY A 44 15.150 -16.963 1.297 1.00 0.00 C ATOM 627 C GLY A 44 14.580 -16.219 2.489 1.00 0.00 C ATOM 628 O GLY A 44 14.086 -15.099 2.353 1.00 0.00 O ATOM 0 H GLY A 44 15.509 -18.813 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.205 -16.712 1.186 1.00 0.00 H new ATOM 0 HA3 GLY A 44 14.646 -16.630 0.390 1.00 0.00 H new ATOM 632 N LYS A 45 14.646 -16.842 3.660 1.00 0.00 N ATOM 633 CA LYS A 45 14.132 -16.233 4.882 1.00 0.00 C ATOM 634 C LYS A 45 15.253 -15.561 5.668 1.00 0.00 C ATOM 635 O LYS A 45 16.412 -15.574 5.251 1.00 0.00 O ATOM 636 CB LYS A 45 13.445 -17.288 5.752 1.00 0.00 C ATOM 637 CG LYS A 45 11.953 -17.409 5.497 1.00 0.00 C ATOM 638 CD LYS A 45 11.211 -17.871 6.740 1.00 0.00 C ATOM 639 CE LYS A 45 9.710 -17.935 6.502 1.00 0.00 C ATOM 640 NZ LYS A 45 9.326 -19.130 5.701 1.00 0.00 N ATOM 0 H LYS A 45 15.051 -17.769 3.789 1.00 0.00 H new ATOM 0 HA LYS A 45 13.403 -15.473 4.601 1.00 0.00 H new ATOM 0 HB2 LYS A 45 13.915 -18.255 5.574 1.00 0.00 H new ATOM 0 HB3 LYS A 45 13.607 -17.043 6.802 1.00 0.00 H new ATOM 0 HG2 LYS A 45 11.559 -16.446 5.174 1.00 0.00 H new ATOM 0 HG3 LYS A 45 11.778 -18.114 4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 45 11.575 -18.854 7.038 1.00 0.00 H new ATOM 0 HD3 LYS A 45 11.421 -17.190 7.565 1.00 0.00 H new ATOM 0 HE2 LYS A 45 9.191 -17.958 7.460 1.00 0.00 H new ATOM 0 HE3 LYS A 45 9.385 -17.032 5.985 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 8.296 -19.137 5.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 9.801 -19.096 4.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 9.613 -19.993 6.206 1.00 0.00 H new ATOM 654 N LYS A 46 14.902 -14.976 6.808 1.00 0.00 N ATOM 655 CA LYS A 46 15.878 -14.301 7.655 1.00 0.00 C ATOM 656 C LYS A 46 15.374 -14.199 9.091 1.00 0.00 C ATOM 657 O LYS A 46 14.169 -14.226 9.339 1.00 0.00 O ATOM 658 CB LYS A 46 16.179 -12.904 7.107 1.00 0.00 C ATOM 659 CG LYS A 46 16.766 -12.913 5.706 1.00 0.00 C ATOM 660 CD LYS A 46 17.230 -11.528 5.288 1.00 0.00 C ATOM 661 CE LYS A 46 17.542 -11.471 3.800 1.00 0.00 C ATOM 662 NZ LYS A 46 18.916 -11.963 3.502 1.00 0.00 N ATOM 0 H LYS A 46 13.947 -14.956 7.167 1.00 0.00 H new ATOM 0 HA LYS A 46 16.795 -14.891 7.652 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.259 -12.319 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 46 16.874 -12.401 7.780 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.606 -13.607 5.667 1.00 0.00 H new ATOM 0 HG3 LYS A 46 16.019 -13.276 5.000 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.458 -10.797 5.527 1.00 0.00 H new ATOM 0 HD3 LYS A 46 18.117 -11.253 5.858 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.815 -12.071 3.253 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.439 -10.445 3.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 19.090 -11.908 2.478 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.612 -11.375 4.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.007 -12.950 3.816 1.00 0.00 H new ATOM 676 N PHE A 47 16.304 -14.079 10.032 1.00 0.00 N ATOM 677 CA PHE A 47 15.954 -13.972 11.444 1.00 0.00 C ATOM 678 C PHE A 47 16.991 -13.147 12.200 1.00 0.00 C ATOM 679 O PHE A 47 18.133 -13.008 11.760 1.00 0.00 O ATOM 680 CB PHE A 47 15.837 -15.363 12.069 1.00 0.00 C ATOM 681 CG PHE A 47 15.002 -16.315 11.261 1.00 0.00 C ATOM 682 CD1 PHE A 47 15.453 -16.788 10.039 1.00 0.00 C ATOM 683 CD2 PHE A 47 13.766 -16.738 11.724 1.00 0.00 C ATOM 684 CE1 PHE A 47 14.686 -17.663 9.294 1.00 0.00 C ATOM 685 CE2 PHE A 47 12.995 -17.614 10.983 1.00 0.00 C ATOM 686 CZ PHE A 47 13.457 -18.078 9.767 1.00 0.00 C ATOM 0 H PHE A 47 17.306 -14.053 9.843 1.00 0.00 H new ATOM 0 HA PHE A 47 14.991 -13.467 11.517 1.00 0.00 H new ATOM 0 HB2 PHE A 47 16.836 -15.782 12.192 1.00 0.00 H new ATOM 0 HB3 PHE A 47 15.406 -15.270 13.066 1.00 0.00 H new ATOM 0 HD1 PHE A 47 16.415 -16.469 9.665 1.00 0.00 H new ATOM 0 HD2 PHE A 47 13.401 -16.379 12.675 1.00 0.00 H new ATOM 0 HE1 PHE A 47 15.048 -18.022 8.342 1.00 0.00 H new ATOM 0 HE2 PHE A 47 12.033 -17.935 11.354 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.858 -18.764 9.187 1.00 0.00 H new ATOM 696 N LYS A 48 16.586 -12.602 13.342 1.00 0.00 N ATOM 697 CA LYS A 48 17.479 -11.792 14.163 1.00 0.00 C ATOM 698 C LYS A 48 18.308 -12.669 15.095 1.00 0.00 C ATOM 699 O LYS A 48 19.510 -12.459 15.254 1.00 0.00 O ATOM 700 CB LYS A 48 16.674 -10.779 14.980 1.00 0.00 C ATOM 701 CG LYS A 48 17.536 -9.754 15.697 1.00 0.00 C ATOM 702 CD LYS A 48 17.956 -8.629 14.766 1.00 0.00 C ATOM 703 CE LYS A 48 18.486 -7.433 15.542 1.00 0.00 C ATOM 704 NZ LYS A 48 19.914 -7.610 15.926 1.00 0.00 N ATOM 0 H LYS A 48 15.645 -12.706 13.720 1.00 0.00 H new ATOM 0 HA LYS A 48 18.158 -11.257 13.498 1.00 0.00 H new ATOM 0 HB2 LYS A 48 15.981 -10.259 14.318 1.00 0.00 H new ATOM 0 HB3 LYS A 48 16.072 -11.314 15.715 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.985 -9.341 16.542 1.00 0.00 H new ATOM 0 HG3 LYS A 48 18.422 -10.242 16.102 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.724 -8.989 14.081 1.00 0.00 H new ATOM 0 HD3 LYS A 48 17.105 -8.322 14.158 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.381 -6.532 14.937 1.00 0.00 H new ATOM 0 HE3 LYS A 48 17.884 -7.286 16.439 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 20.238 -6.774 16.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 20.010 -8.455 16.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 20.492 -7.725 15.069 1.00 0.00 H new ATOM 718 N MET A 49 17.658 -13.654 15.707 1.00 0.00 N ATOM 719 CA MET A 49 18.338 -14.565 16.621 1.00 0.00 C ATOM 720 C MET A 49 18.750 -15.847 15.904 1.00 0.00 C ATOM 721 O MET A 49 18.165 -16.217 14.886 1.00 0.00 O ATOM 722 CB MET A 49 17.432 -14.899 17.808 1.00 0.00 C ATOM 723 CG MET A 49 16.982 -13.677 18.592 1.00 0.00 C ATOM 724 SD MET A 49 18.365 -12.700 19.211 1.00 0.00 S ATOM 725 CE MET A 49 17.497 -11.359 20.021 1.00 0.00 C ATOM 0 H MET A 49 16.663 -13.842 15.587 1.00 0.00 H new ATOM 0 HA MET A 49 19.237 -14.070 16.987 1.00 0.00 H new ATOM 0 HB2 MET A 49 16.553 -15.432 17.445 1.00 0.00 H new ATOM 0 HB3 MET A 49 17.961 -15.576 18.479 1.00 0.00 H new ATOM 0 HG2 MET A 49 16.357 -13.051 17.955 1.00 0.00 H new ATOM 0 HG3 MET A 49 16.363 -13.996 19.431 1.00 0.00 H new ATOM 0 HE1 MET A 49 18.219 -10.668 20.455 1.00 0.00 H new ATOM 0 HE2 MET A 49 16.882 -10.831 19.292 1.00 0.00 H new ATOM 0 HE3 MET A 49 16.860 -11.761 20.809 1.00 0.00 H new ATOM 735 N LYS A 50 19.761 -16.520 16.441 1.00 0.00 N ATOM 736 CA LYS A 50 20.252 -17.762 15.854 1.00 0.00 C ATOM 737 C LYS A 50 19.253 -18.895 16.064 1.00 0.00 C ATOM 738 O LYS A 50 19.153 -19.808 15.243 1.00 0.00 O ATOM 739 CB LYS A 50 21.604 -18.139 16.465 1.00 0.00 C ATOM 740 CG LYS A 50 21.510 -18.604 17.908 1.00 0.00 C ATOM 741 CD LYS A 50 21.560 -17.433 18.875 1.00 0.00 C ATOM 742 CE LYS A 50 22.175 -17.836 20.207 1.00 0.00 C ATOM 743 NZ LYS A 50 22.315 -16.673 21.127 1.00 0.00 N ATOM 0 H LYS A 50 20.257 -16.227 17.282 1.00 0.00 H new ATOM 0 HA LYS A 50 20.376 -17.605 14.783 1.00 0.00 H new ATOM 0 HB2 LYS A 50 22.056 -18.929 15.866 1.00 0.00 H new ATOM 0 HB3 LYS A 50 22.270 -17.278 16.412 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.582 -19.158 18.053 1.00 0.00 H new ATOM 0 HG3 LYS A 50 22.328 -19.291 18.124 1.00 0.00 H new ATOM 0 HD2 LYS A 50 22.140 -16.622 18.436 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.552 -17.052 19.039 1.00 0.00 H new ATOM 0 HE2 LYS A 50 21.555 -18.599 20.678 1.00 0.00 H new ATOM 0 HE3 LYS A 50 23.154 -18.283 20.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 22.738 -16.988 22.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 22.927 -15.956 20.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 21.378 -16.262 21.312 1.00 0.00 H new ATOM 757 N HIS A 51 18.515 -18.830 17.167 1.00 0.00 N ATOM 758 CA HIS A 51 17.521 -19.851 17.483 1.00 0.00 C ATOM 759 C HIS A 51 16.249 -19.641 16.668 1.00 0.00 C ATOM 760 O HIS A 51 15.549 -20.598 16.334 1.00 0.00 O ATOM 761 CB HIS A 51 17.193 -19.828 18.977 1.00 0.00 C ATOM 762 CG HIS A 51 17.011 -18.448 19.529 1.00 0.00 C ATOM 763 ND1 HIS A 51 17.947 -17.828 20.329 1.00 0.00 N ATOM 764 CD2 HIS A 51 15.993 -17.566 19.391 1.00 0.00 C ATOM 765 CE1 HIS A 51 17.513 -16.625 20.661 1.00 0.00 C ATOM 766 NE2 HIS A 51 16.329 -16.441 20.104 1.00 0.00 N ATOM 0 H HIS A 51 18.586 -18.082 17.857 1.00 0.00 H new ATOM 0 HA HIS A 51 17.940 -20.824 17.225 1.00 0.00 H new ATOM 0 HB2 HIS A 51 16.283 -20.402 19.150 1.00 0.00 H new ATOM 0 HB3 HIS A 51 17.993 -20.327 19.524 1.00 0.00 H new ATOM 0 HD1 HIS A 51 18.836 -18.235 20.619 1.00 0.00 H new ATOM 0 HD2 HIS A 51 15.086 -17.719 18.826 1.00 0.00 H new ATOM 0 HE1 HIS A 51 18.037 -15.913 21.282 1.00 0.00 H new ATOM 774 N HIS A 52 15.955 -18.384 16.351 1.00 0.00 N ATOM 775 CA HIS A 52 14.766 -18.050 15.574 1.00 0.00 C ATOM 776 C HIS A 52 14.859 -18.626 14.164 1.00 0.00 C ATOM 777 O HIS A 52 13.841 -18.887 13.522 1.00 0.00 O ATOM 778 CB HIS A 52 14.586 -16.533 15.507 1.00 0.00 C ATOM 779 CG HIS A 52 13.898 -15.958 16.707 1.00 0.00 C ATOM 780 ND1 HIS A 52 14.213 -14.723 17.235 1.00 0.00 N ATOM 781 CD2 HIS A 52 12.906 -16.455 17.481 1.00 0.00 C ATOM 782 CE1 HIS A 52 13.445 -14.487 18.283 1.00 0.00 C ATOM 783 NE2 HIS A 52 12.642 -15.522 18.454 1.00 0.00 N ATOM 0 H HIS A 52 16.523 -17.581 16.620 1.00 0.00 H new ATOM 0 HA HIS A 52 13.901 -18.490 16.071 1.00 0.00 H new ATOM 0 HB2 HIS A 52 15.564 -16.064 15.399 1.00 0.00 H new ATOM 0 HB3 HIS A 52 14.012 -16.282 14.615 1.00 0.00 H new ATOM 0 HD2 HIS A 52 12.413 -17.408 17.357 1.00 0.00 H new ATOM 0 HE1 HIS A 52 13.469 -13.598 18.896 1.00 0.00 H new ATOM 0 HE2 HIS A 52 11.940 -15.613 19.189 1.00 0.00 H new ATOM 791 N LEU A 53 16.084 -18.821 13.689 1.00 0.00 N ATOM 792 CA LEU A 53 16.309 -19.365 12.355 1.00 0.00 C ATOM 793 C LEU A 53 16.217 -20.888 12.365 1.00 0.00 C ATOM 794 O LEU A 53 15.662 -21.493 11.448 1.00 0.00 O ATOM 795 CB LEU A 53 17.678 -18.929 11.829 1.00 0.00 C ATOM 796 CG LEU A 53 18.171 -19.643 10.570 1.00 0.00 C ATOM 797 CD1 LEU A 53 17.302 -19.282 9.376 1.00 0.00 C ATOM 798 CD2 LEU A 53 19.628 -19.296 10.297 1.00 0.00 C ATOM 0 H LEU A 53 16.937 -18.610 14.208 1.00 0.00 H new ATOM 0 HA LEU A 53 15.533 -18.977 11.696 1.00 0.00 H new ATOM 0 HB2 LEU A 53 17.643 -17.859 11.625 1.00 0.00 H new ATOM 0 HB3 LEU A 53 18.413 -19.079 12.619 1.00 0.00 H new ATOM 0 HG LEU A 53 18.098 -20.718 10.733 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.668 -19.800 8.490 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.272 -19.582 9.572 1.00 0.00 H new ATOM 0 HD13 LEU A 53 17.341 -18.205 9.210 1.00 0.00 H new ATOM 0 HD21 LEU A 53 19.963 -19.813 9.397 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.725 -18.220 10.155 1.00 0.00 H new ATOM 0 HD23 LEU A 53 20.241 -19.607 11.143 1.00 0.00 H new ATOM 810 N VAL A 54 16.763 -21.501 13.411 1.00 0.00 N ATOM 811 CA VAL A 54 16.740 -22.953 13.543 1.00 0.00 C ATOM 812 C VAL A 54 15.317 -23.491 13.442 1.00 0.00 C ATOM 813 O VAL A 54 15.000 -24.273 12.547 1.00 0.00 O ATOM 814 CB VAL A 54 17.355 -23.405 14.881 1.00 0.00 C ATOM 815 CG1 VAL A 54 16.966 -24.842 15.189 1.00 0.00 C ATOM 816 CG2 VAL A 54 18.868 -23.247 14.852 1.00 0.00 C ATOM 0 H VAL A 54 17.226 -21.015 14.179 1.00 0.00 H new ATOM 0 HA VAL A 54 17.336 -23.355 12.724 1.00 0.00 H new ATOM 0 HB VAL A 54 16.962 -22.770 15.675 1.00 0.00 H new ATOM 0 HG11 VAL A 54 17.410 -25.144 16.138 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.881 -24.919 15.255 1.00 0.00 H new ATOM 0 HG13 VAL A 54 17.328 -25.495 14.395 1.00 0.00 H new ATOM 0 HG21 VAL A 54 19.286 -23.571 15.805 1.00 0.00 H new ATOM 0 HG22 VAL A 54 19.282 -23.856 14.048 1.00 0.00 H new ATOM 0 HG23 VAL A 54 19.121 -22.201 14.682 1.00 0.00 H new ATOM 826 N GLY A 55 14.463 -23.067 14.368 1.00 0.00 N ATOM 827 CA GLY A 55 13.083 -23.516 14.366 1.00 0.00 C ATOM 828 C GLY A 55 12.482 -23.537 12.975 1.00 0.00 C ATOM 829 O GLY A 55 11.516 -24.257 12.718 1.00 0.00 O ATOM 0 H GLY A 55 14.702 -22.420 15.120 1.00 0.00 H new ATOM 0 HA2 GLY A 55 13.029 -24.516 14.797 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.490 -22.861 15.005 1.00 0.00 H new ATOM 833 N HIS A 56 13.054 -22.745 12.073 1.00 0.00 N ATOM 834 CA HIS A 56 12.568 -22.675 10.699 1.00 0.00 C ATOM 835 C HIS A 56 13.372 -23.600 9.791 1.00 0.00 C ATOM 836 O HIS A 56 12.807 -24.326 8.972 1.00 0.00 O ATOM 837 CB HIS A 56 12.645 -21.239 10.182 1.00 0.00 C ATOM 838 CG HIS A 56 12.754 -21.145 8.691 1.00 0.00 C ATOM 839 ND1 HIS A 56 11.670 -21.268 7.848 1.00 0.00 N ATOM 840 CD2 HIS A 56 13.827 -20.936 7.893 1.00 0.00 C ATOM 841 CE1 HIS A 56 12.071 -21.141 6.596 1.00 0.00 C ATOM 842 NE2 HIS A 56 13.377 -20.938 6.596 1.00 0.00 N ATOM 0 H HIS A 56 13.854 -22.143 12.269 1.00 0.00 H new ATOM 0 HA HIS A 56 11.528 -23.001 10.690 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.758 -20.696 10.508 1.00 0.00 H new ATOM 0 HB3 HIS A 56 13.505 -20.745 10.633 1.00 0.00 H new ATOM 0 HD1 HIS A 56 10.708 -21.432 8.145 1.00 0.00 H new ATOM 0 HD2 HIS A 56 14.848 -20.794 8.216 1.00 0.00 H new ATOM 0 HE1 HIS A 56 11.439 -21.194 5.721 1.00 0.00 H new ATOM 850 N MET A 57 14.692 -23.568 9.941 1.00 0.00 N ATOM 851 CA MET A 57 15.573 -24.404 9.133 1.00 0.00 C ATOM 852 C MET A 57 15.131 -25.864 9.181 1.00 0.00 C ATOM 853 O MET A 57 15.390 -26.632 8.255 1.00 0.00 O ATOM 854 CB MET A 57 17.017 -24.280 9.621 1.00 0.00 C ATOM 855 CG MET A 57 17.557 -22.860 9.567 1.00 0.00 C ATOM 856 SD MET A 57 18.451 -22.513 8.040 1.00 0.00 S ATOM 857 CE MET A 57 17.278 -23.101 6.821 1.00 0.00 C ATOM 0 H MET A 57 15.175 -22.973 10.614 1.00 0.00 H new ATOM 0 HA MET A 57 15.515 -24.059 8.101 1.00 0.00 H new ATOM 0 HB2 MET A 57 17.078 -24.644 10.647 1.00 0.00 H new ATOM 0 HB3 MET A 57 17.653 -24.925 9.015 1.00 0.00 H new ATOM 0 HG2 MET A 57 16.730 -22.157 9.667 1.00 0.00 H new ATOM 0 HG3 MET A 57 18.220 -22.695 10.417 1.00 0.00 H new ATOM 0 HE1 MET A 57 17.648 -22.874 5.821 1.00 0.00 H new ATOM 0 HE2 MET A 57 17.154 -24.179 6.926 1.00 0.00 H new ATOM 0 HE3 MET A 57 16.318 -22.608 6.973 1.00 0.00 H new ATOM 867 N LYS A 58 14.464 -26.240 10.267 1.00 0.00 N ATOM 868 CA LYS A 58 13.985 -27.607 10.436 1.00 0.00 C ATOM 869 C LYS A 58 13.041 -27.997 9.304 1.00 0.00 C ATOM 870 O LYS A 58 12.711 -29.171 9.134 1.00 0.00 O ATOM 871 CB LYS A 58 13.274 -27.757 11.783 1.00 0.00 C ATOM 872 CG LYS A 58 14.192 -27.579 12.979 1.00 0.00 C ATOM 873 CD LYS A 58 13.419 -27.166 14.220 1.00 0.00 C ATOM 874 CE LYS A 58 12.552 -28.302 14.741 1.00 0.00 C ATOM 875 NZ LYS A 58 13.345 -29.287 15.528 1.00 0.00 N ATOM 0 H LYS A 58 14.243 -25.617 11.044 1.00 0.00 H new ATOM 0 HA LYS A 58 14.847 -28.273 10.411 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.468 -27.025 11.842 1.00 0.00 H new ATOM 0 HB3 LYS A 58 12.813 -28.744 11.833 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.722 -28.511 13.173 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.946 -26.825 12.751 1.00 0.00 H new ATOM 0 HD2 LYS A 58 14.117 -26.854 14.997 1.00 0.00 H new ATOM 0 HD3 LYS A 58 12.792 -26.305 13.989 1.00 0.00 H new ATOM 0 HE2 LYS A 58 11.756 -27.895 15.365 1.00 0.00 H new ATOM 0 HE3 LYS A 58 12.073 -28.808 13.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.719 -30.046 15.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 14.089 -29.694 14.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 13.781 -28.810 16.343 1.00 0.00 H new ATOM 889 N ILE A 59 12.610 -27.005 8.531 1.00 0.00 N ATOM 890 CA ILE A 59 11.706 -27.246 7.413 1.00 0.00 C ATOM 891 C ILE A 59 12.474 -27.667 6.165 1.00 0.00 C ATOM 892 O ILE A 59 11.896 -28.200 5.217 1.00 0.00 O ATOM 893 CB ILE A 59 10.867 -25.996 7.088 1.00 0.00 C ATOM 894 CG1 ILE A 59 11.681 -25.014 6.243 1.00 0.00 C ATOM 895 CG2 ILE A 59 10.390 -25.331 8.371 1.00 0.00 C ATOM 896 CD1 ILE A 59 10.858 -23.878 5.677 1.00 0.00 C ATOM 0 H ILE A 59 12.872 -26.028 8.659 1.00 0.00 H new ATOM 0 HA ILE A 59 11.039 -28.053 7.716 1.00 0.00 H new ATOM 0 HB ILE A 59 9.993 -26.302 6.513 1.00 0.00 H new ATOM 0 HG12 ILE A 59 12.484 -24.601 6.853 1.00 0.00 H new ATOM 0 HG13 ILE A 59 12.151 -25.556 5.422 1.00 0.00 H new ATOM 0 HG21 ILE A 59 9.798 -24.449 8.125 1.00 0.00 H new ATOM 0 HG22 ILE A 59 9.778 -26.032 8.938 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.252 -25.035 8.969 1.00 0.00 H new ATOM 0 HD11 ILE A 59 11.500 -23.221 5.089 1.00 0.00 H new ATOM 0 HD12 ILE A 59 10.071 -24.281 5.040 1.00 0.00 H new ATOM 0 HD13 ILE A 59 10.410 -23.312 6.493 1.00 0.00 H new ATOM 908 N HIS A 60 13.781 -27.426 6.172 1.00 0.00 N ATOM 909 CA HIS A 60 14.631 -27.783 5.041 1.00 0.00 C ATOM 910 C HIS A 60 15.509 -28.984 5.379 1.00 0.00 C ATOM 911 O HIS A 60 15.870 -29.770 4.502 1.00 0.00 O ATOM 912 CB HIS A 60 15.504 -26.595 4.638 1.00 0.00 C ATOM 913 CG HIS A 60 14.720 -25.384 4.236 1.00 0.00 C ATOM 914 ND1 HIS A 60 13.780 -25.396 3.228 1.00 0.00 N ATOM 915 CD2 HIS A 60 14.739 -24.118 4.715 1.00 0.00 C ATOM 916 CE1 HIS A 60 13.256 -24.190 3.102 1.00 0.00 C ATOM 917 NE2 HIS A 60 13.821 -23.396 3.994 1.00 0.00 N ATOM 0 H HIS A 60 14.275 -26.985 6.948 1.00 0.00 H new ATOM 0 HA HIS A 60 13.987 -28.051 4.204 1.00 0.00 H new ATOM 0 HB2 HIS A 60 16.156 -26.335 5.472 1.00 0.00 H new ATOM 0 HB3 HIS A 60 16.148 -26.892 3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 60 15.361 -23.745 5.516 1.00 0.00 H new ATOM 0 HE1 HIS A 60 12.496 -23.902 2.391 1.00 0.00 H new ATOM 0 HE2 HIS A 60 13.609 -22.407 4.126 1.00 0.00 H new ATOM 1001 N TYR A 66 8.549 -36.387 -0.361 1.00 0.00 N ATOM 1002 CA TYR A 66 7.098 -36.240 -0.348 1.00 0.00 C ATOM 1003 C TYR A 66 6.693 -34.885 0.224 1.00 0.00 C ATOM 1004 O TYR A 66 7.474 -34.235 0.918 1.00 0.00 O ATOM 1005 CB TYR A 66 6.458 -37.364 0.468 1.00 0.00 C ATOM 1006 CG TYR A 66 6.999 -38.736 0.138 1.00 0.00 C ATOM 1007 CD1 TYR A 66 8.095 -39.254 0.819 1.00 0.00 C ATOM 1008 CD2 TYR A 66 6.417 -39.515 -0.854 1.00 0.00 C ATOM 1009 CE1 TYR A 66 8.594 -40.507 0.521 1.00 0.00 C ATOM 1010 CE2 TYR A 66 6.908 -40.770 -1.158 1.00 0.00 C ATOM 1011 CZ TYR A 66 7.997 -41.262 -0.468 1.00 0.00 C ATOM 1012 OH TYR A 66 8.490 -42.511 -0.769 1.00 0.00 O ATOM 0 HA TYR A 66 6.743 -36.300 -1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.615 -37.166 1.528 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.381 -37.357 0.298 1.00 0.00 H new ATOM 0 HD1 TYR A 66 8.564 -38.667 1.594 1.00 0.00 H new ATOM 0 HD2 TYR A 66 5.565 -39.133 -1.397 1.00 0.00 H new ATOM 0 HE1 TYR A 66 9.447 -40.894 1.059 1.00 0.00 H new ATOM 0 HE2 TYR A 66 6.442 -41.363 -1.931 1.00 0.00 H new ATOM 0 HH TYR A 66 9.091 -42.807 -0.053 1.00 0.00 H new ATOM 1022 N GLU A 67 5.466 -34.468 -0.071 1.00 0.00 N ATOM 1023 CA GLU A 67 4.956 -33.191 0.414 1.00 0.00 C ATOM 1024 C GLU A 67 3.458 -33.069 0.153 1.00 0.00 C ATOM 1025 O GLU A 67 2.996 -33.239 -0.976 1.00 0.00 O ATOM 1026 CB GLU A 67 5.698 -32.033 -0.256 1.00 0.00 C ATOM 1027 CG GLU A 67 4.977 -30.700 -0.140 1.00 0.00 C ATOM 1028 CD GLU A 67 5.750 -29.562 -0.777 1.00 0.00 C ATOM 1029 OE1 GLU A 67 6.169 -29.710 -1.944 1.00 0.00 O ATOM 1030 OE2 GLU A 67 5.937 -28.523 -0.109 1.00 0.00 O ATOM 0 H GLU A 67 4.807 -34.996 -0.643 1.00 0.00 H new ATOM 0 HA GLU A 67 5.124 -33.147 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.688 -31.941 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.843 -32.267 -1.311 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.998 -30.778 -0.612 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.806 -30.474 0.913 1.00 0.00 H new ATOM 1037 N CYS A 68 2.702 -32.773 1.205 1.00 0.00 N ATOM 1038 CA CYS A 68 1.256 -32.629 1.092 1.00 0.00 C ATOM 1039 C CYS A 68 0.892 -31.631 -0.004 1.00 0.00 C ATOM 1040 O CYS A 68 1.759 -30.947 -0.546 1.00 0.00 O ATOM 1041 CB CYS A 68 0.662 -32.175 2.427 1.00 0.00 C ATOM 1042 SG CYS A 68 -1.026 -32.788 2.737 1.00 0.00 S ATOM 0 H CYS A 68 3.068 -32.628 2.146 1.00 0.00 H new ATOM 0 HA CYS A 68 0.839 -33.601 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.313 -32.510 3.235 1.00 0.00 H new ATOM 0 HB3 CYS A 68 0.653 -31.085 2.456 1.00 0.00 H new ATOM 0 HG CYS A 68 -1.533 -32.165 3.759 1.00 0.00 H new ATOM 1047 N ASN A 69 -0.395 -31.555 -0.324 1.00 0.00 N ATOM 1048 CA ASN A 69 -0.874 -30.642 -1.355 1.00 0.00 C ATOM 1049 C ASN A 69 -1.744 -29.545 -0.749 1.00 0.00 C ATOM 1050 O ASN A 69 -1.729 -28.402 -1.208 1.00 0.00 O ATOM 1051 CB ASN A 69 -1.665 -31.408 -2.417 1.00 0.00 C ATOM 1052 CG ASN A 69 -1.027 -32.739 -2.765 1.00 0.00 C ATOM 1053 OD1 ASN A 69 0.174 -32.816 -3.024 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -1.831 -33.796 -2.772 1.00 0.00 N ATOM 0 H ASN A 69 -1.125 -32.115 0.116 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.007 -30.176 -1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.680 -31.578 -2.058 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.743 -30.799 -3.318 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.459 -34.718 -2.998 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.821 -33.686 -2.551 1.00 0.00 H new ATOM 1061 N ILE A 70 -2.501 -29.901 0.284 1.00 0.00 N ATOM 1062 CA ILE A 70 -3.376 -28.947 0.953 1.00 0.00 C ATOM 1063 C ILE A 70 -2.579 -27.999 1.842 1.00 0.00 C ATOM 1064 O ILE A 70 -2.534 -26.792 1.599 1.00 0.00 O ATOM 1065 CB ILE A 70 -4.439 -29.662 1.808 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -5.439 -30.393 0.911 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -5.156 -28.664 2.705 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -4.945 -31.738 0.426 1.00 0.00 C ATOM 0 H ILE A 70 -2.526 -30.843 0.675 1.00 0.00 H new ATOM 0 HA ILE A 70 -3.875 -28.375 0.171 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.941 -30.397 2.440 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -6.371 -30.533 1.459 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -5.667 -29.766 0.049 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -5.904 -29.184 3.303 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -4.434 -28.184 3.365 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -5.645 -27.908 2.090 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.705 -32.199 -0.204 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.029 -31.603 -0.150 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.744 -32.382 1.282 1.00 0.00 H new ATOM 1080 N CYS A 71 -1.948 -28.553 2.872 1.00 0.00 N ATOM 1081 CA CYS A 71 -1.150 -27.758 3.798 1.00 0.00 C ATOM 1082 C CYS A 71 0.266 -27.561 3.264 1.00 0.00 C ATOM 1083 O CYS A 71 1.035 -26.761 3.796 1.00 0.00 O ATOM 1084 CB CYS A 71 -1.101 -28.432 5.170 1.00 0.00 C ATOM 1085 SG CYS A 71 -0.422 -30.123 5.145 1.00 0.00 S ATOM 0 H CYS A 71 -1.974 -29.550 3.086 1.00 0.00 H new ATOM 0 HA CYS A 71 -1.621 -26.780 3.898 1.00 0.00 H new ATOM 0 HB2 CYS A 71 -0.499 -27.820 5.842 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -2.109 -28.463 5.584 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.381 -30.979 5.339 1.00 0.00 H new ATOM 1090 N ALA A 72 0.603 -28.298 2.211 1.00 0.00 N ATOM 1091 CA ALA A 72 1.925 -28.203 1.604 1.00 0.00 C ATOM 1092 C ALA A 72 3.012 -28.620 2.588 1.00 0.00 C ATOM 1093 O ALA A 72 4.134 -28.114 2.542 1.00 0.00 O ATOM 1094 CB ALA A 72 2.177 -26.788 1.105 1.00 0.00 C ATOM 0 H ALA A 72 -0.021 -28.967 1.761 1.00 0.00 H new ATOM 0 HA ALA A 72 1.958 -28.887 0.756 1.00 0.00 H new ATOM 0 HB1 ALA A 72 3.168 -26.732 0.654 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.425 -26.525 0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.119 -26.092 1.941 1.00 0.00 H new ATOM 1100 N LYS A 73 2.674 -29.546 3.479 1.00 0.00 N ATOM 1101 CA LYS A 73 3.620 -30.032 4.476 1.00 0.00 C ATOM 1102 C LYS A 73 4.616 -31.005 3.851 1.00 0.00 C ATOM 1103 O LYS A 73 4.370 -31.555 2.777 1.00 0.00 O ATOM 1104 CB LYS A 73 2.877 -30.716 5.625 1.00 0.00 C ATOM 1105 CG LYS A 73 2.419 -29.755 6.709 1.00 0.00 C ATOM 1106 CD LYS A 73 1.826 -30.496 7.896 1.00 0.00 C ATOM 1107 CE LYS A 73 1.321 -29.532 8.959 1.00 0.00 C ATOM 1108 NZ LYS A 73 0.397 -30.199 9.918 1.00 0.00 N ATOM 0 H LYS A 73 1.750 -29.975 3.531 1.00 0.00 H new ATOM 0 HA LYS A 73 4.170 -29.175 4.866 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.009 -31.240 5.225 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.527 -31.470 6.070 1.00 0.00 H new ATOM 0 HG2 LYS A 73 3.263 -29.150 7.041 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.677 -29.069 6.299 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.006 -31.129 7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.579 -31.154 8.329 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.168 -29.114 9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 73 0.807 -28.699 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.075 -29.509 10.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -0.424 -30.576 9.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 0.894 -30.978 10.395 1.00 0.00 H new ATOM 1122 N ARG A 74 5.739 -31.213 4.531 1.00 0.00 N ATOM 1123 CA ARG A 74 6.770 -32.120 4.042 1.00 0.00 C ATOM 1124 C ARG A 74 6.939 -33.310 4.983 1.00 0.00 C ATOM 1125 O ARG A 74 6.698 -33.203 6.185 1.00 0.00 O ATOM 1126 CB ARG A 74 8.101 -31.380 3.895 1.00 0.00 C ATOM 1127 CG ARG A 74 8.054 -30.233 2.899 1.00 0.00 C ATOM 1128 CD ARG A 74 9.378 -29.488 2.844 1.00 0.00 C ATOM 1129 NE ARG A 74 9.328 -28.350 1.930 1.00 0.00 N ATOM 1130 CZ ARG A 74 10.402 -27.825 1.350 1.00 0.00 C ATOM 1131 NH1 ARG A 74 11.603 -28.334 1.588 1.00 0.00 N ATOM 1132 NH2 ARG A 74 10.275 -26.789 0.531 1.00 0.00 N ATOM 0 H ARG A 74 5.958 -30.766 5.421 1.00 0.00 H new ATOM 0 HA ARG A 74 6.458 -32.492 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.401 -30.992 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.869 -32.089 3.584 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.811 -30.619 1.909 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.258 -29.542 3.176 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.640 -29.139 3.843 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.166 -30.172 2.529 1.00 0.00 H new ATOM 0 HE ARG A 74 8.419 -27.935 1.726 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.704 -29.130 2.217 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.426 -27.929 1.142 1.00 0.00 H new ATOM 0 HH21 ARG A 74 9.352 -26.395 0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.100 -26.386 0.086 1.00 0.00 H new ATOM 1146 N PHE A 75 7.354 -34.443 4.426 1.00 0.00 N ATOM 1147 CA PHE A 75 7.553 -35.654 5.215 1.00 0.00 C ATOM 1148 C PHE A 75 8.681 -36.501 4.634 1.00 0.00 C ATOM 1149 O PHE A 75 8.961 -36.445 3.437 1.00 0.00 O ATOM 1150 CB PHE A 75 6.261 -36.471 5.267 1.00 0.00 C ATOM 1151 CG PHE A 75 5.125 -35.755 5.940 1.00 0.00 C ATOM 1152 CD1 PHE A 75 4.410 -34.777 5.267 1.00 0.00 C ATOM 1153 CD2 PHE A 75 4.772 -36.059 7.245 1.00 0.00 C ATOM 1154 CE1 PHE A 75 3.364 -34.116 5.883 1.00 0.00 C ATOM 1155 CE2 PHE A 75 3.726 -35.402 7.865 1.00 0.00 C ATOM 1156 CZ PHE A 75 3.022 -34.428 7.184 1.00 0.00 C ATOM 0 H PHE A 75 7.559 -34.548 3.432 1.00 0.00 H new ATOM 0 HA PHE A 75 7.829 -35.358 6.227 1.00 0.00 H new ATOM 0 HB2 PHE A 75 5.964 -36.732 4.251 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.453 -37.406 5.793 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.673 -34.528 4.249 1.00 0.00 H new ATOM 0 HD2 PHE A 75 5.320 -36.818 7.784 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.815 -33.356 5.347 1.00 0.00 H new ATOM 0 HE2 PHE A 75 3.459 -35.650 8.882 1.00 0.00 H new ATOM 0 HZ PHE A 75 2.206 -33.912 7.668 1.00 0.00 H new ATOM 1166 N MET A 76 9.326 -37.285 5.492 1.00 0.00 N ATOM 1167 CA MET A 76 10.423 -38.145 5.065 1.00 0.00 C ATOM 1168 C MET A 76 9.928 -39.560 4.785 1.00 0.00 C ATOM 1169 O MET A 76 10.560 -40.313 4.045 1.00 0.00 O ATOM 1170 CB MET A 76 11.519 -38.178 6.133 1.00 0.00 C ATOM 1171 CG MET A 76 11.058 -38.761 7.459 1.00 0.00 C ATOM 1172 SD MET A 76 12.424 -39.396 8.450 1.00 0.00 S ATOM 1173 CE MET A 76 13.046 -40.691 7.380 1.00 0.00 C ATOM 0 H MET A 76 9.108 -37.342 6.487 1.00 0.00 H new ATOM 0 HA MET A 76 10.835 -37.734 4.143 1.00 0.00 H new ATOM 0 HB2 MET A 76 12.360 -38.763 5.761 1.00 0.00 H new ATOM 0 HB3 MET A 76 11.884 -37.164 6.298 1.00 0.00 H new ATOM 0 HG2 MET A 76 10.530 -37.994 8.025 1.00 0.00 H new ATOM 0 HG3 MET A 76 10.346 -39.565 7.270 1.00 0.00 H new ATOM 0 HE1 MET A 76 13.465 -41.494 7.986 1.00 0.00 H new ATOM 0 HE2 MET A 76 12.231 -41.083 6.772 1.00 0.00 H new ATOM 0 HE3 MET A 76 13.821 -40.285 6.730 1.00 0.00 H new ATOM 1183 N TRP A 77 8.795 -39.914 5.380 1.00 0.00 N ATOM 1184 CA TRP A 77 8.215 -41.239 5.194 1.00 0.00 C ATOM 1185 C TRP A 77 7.169 -41.225 4.085 1.00 0.00 C ATOM 1186 O TRP A 77 6.594 -40.181 3.775 1.00 0.00 O ATOM 1187 CB TRP A 77 7.587 -41.732 6.498 1.00 0.00 C ATOM 1188 CG TRP A 77 8.558 -41.794 7.639 1.00 0.00 C ATOM 1189 CD1 TRP A 77 8.836 -40.801 8.534 1.00 0.00 C ATOM 1190 CD2 TRP A 77 9.381 -42.908 8.003 1.00 0.00 C ATOM 1191 NE1 TRP A 77 9.782 -41.230 9.434 1.00 0.00 N ATOM 1192 CE2 TRP A 77 10.132 -42.519 9.130 1.00 0.00 C ATOM 1193 CE3 TRP A 77 9.556 -44.195 7.489 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 11.042 -43.373 9.748 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 10.459 -45.041 8.104 1.00 0.00 C ATOM 1196 CH2 TRP A 77 11.192 -44.628 9.224 1.00 0.00 C ATOM 0 H TRP A 77 8.259 -39.302 5.996 1.00 0.00 H new ATOM 0 HA TRP A 77 9.015 -41.920 4.905 1.00 0.00 H new ATOM 0 HB2 TRP A 77 6.762 -41.073 6.768 1.00 0.00 H new ATOM 0 HB3 TRP A 77 7.163 -42.723 6.337 1.00 0.00 H new ATOM 0 HD1 TRP A 77 8.380 -39.822 8.535 1.00 0.00 H new ATOM 0 HE1 TRP A 77 10.162 -40.678 10.203 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.995 -44.523 6.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 11.609 -43.056 10.611 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.602 -46.038 7.714 1.00 0.00 H new ATOM 0 HH2 TRP A 77 11.889 -45.314 9.683 1.00 0.00 H new ATOM 1207 N ARG A 78 6.926 -42.389 3.491 1.00 0.00 N ATOM 1208 CA ARG A 78 5.948 -42.509 2.416 1.00 0.00 C ATOM 1209 C ARG A 78 4.563 -42.822 2.974 1.00 0.00 C ATOM 1210 O ARG A 78 3.590 -42.131 2.670 1.00 0.00 O ATOM 1211 CB ARG A 78 6.372 -43.601 1.432 1.00 0.00 C ATOM 1212 CG ARG A 78 5.489 -43.685 0.198 1.00 0.00 C ATOM 1213 CD ARG A 78 5.940 -44.797 -0.735 1.00 0.00 C ATOM 1214 NE ARG A 78 5.924 -46.102 -0.079 1.00 0.00 N ATOM 1215 CZ ARG A 78 5.881 -47.255 -0.738 1.00 0.00 C ATOM 1216 NH1 ARG A 78 5.850 -47.264 -2.063 1.00 0.00 N ATOM 1217 NH2 ARG A 78 5.869 -48.402 -0.070 1.00 0.00 N ATOM 0 H ARG A 78 7.393 -43.262 3.736 1.00 0.00 H new ATOM 0 HA ARG A 78 5.902 -41.555 1.892 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.400 -43.418 1.121 1.00 0.00 H new ATOM 0 HB3 ARG A 78 6.360 -44.564 1.943 1.00 0.00 H new ATOM 0 HG2 ARG A 78 4.456 -43.858 0.500 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.511 -42.733 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.290 -44.823 -1.609 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.947 -44.584 -1.093 1.00 0.00 H new ATOM 0 HE ARG A 78 5.947 -46.130 0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.859 -46.384 -2.579 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.817 -48.151 -2.566 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.893 -48.399 0.950 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.836 -49.287 -0.576 1.00 0.00 H new ATOM 1231 N ASP A 79 4.481 -43.867 3.790 1.00 0.00 N ATOM 1232 CA ASP A 79 3.215 -44.271 4.390 1.00 0.00 C ATOM 1233 C ASP A 79 2.554 -43.098 5.106 1.00 0.00 C ATOM 1234 O ASP A 79 1.388 -42.787 4.863 1.00 0.00 O ATOM 1235 CB ASP A 79 3.436 -45.424 5.370 1.00 0.00 C ATOM 1236 CG ASP A 79 2.141 -46.107 5.763 1.00 0.00 C ATOM 1237 OD1 ASP A 79 1.166 -46.023 4.987 1.00 0.00 O ATOM 1238 OD2 ASP A 79 2.102 -46.725 6.848 1.00 0.00 O ATOM 0 H ASP A 79 5.276 -44.450 4.051 1.00 0.00 H new ATOM 0 HA ASP A 79 2.553 -44.605 3.591 1.00 0.00 H new ATOM 0 HB2 ASP A 79 4.107 -46.156 4.920 1.00 0.00 H new ATOM 0 HB3 ASP A 79 3.930 -45.046 6.265 1.00 0.00 H new ATOM 1243 N SER A 80 3.306 -42.451 5.990 1.00 0.00 N ATOM 1244 CA SER A 80 2.792 -41.315 6.746 1.00 0.00 C ATOM 1245 C SER A 80 2.360 -40.191 5.809 1.00 0.00 C ATOM 1246 O SER A 80 1.385 -39.487 6.074 1.00 0.00 O ATOM 1247 CB SER A 80 3.852 -40.802 7.722 1.00 0.00 C ATOM 1248 OG SER A 80 3.969 -41.658 8.845 1.00 0.00 O ATOM 0 H SER A 80 4.274 -42.694 6.201 1.00 0.00 H new ATOM 0 HA SER A 80 1.922 -41.650 7.310 1.00 0.00 H new ATOM 0 HB2 SER A 80 4.814 -40.730 7.214 1.00 0.00 H new ATOM 0 HB3 SER A 80 3.590 -39.797 8.053 1.00 0.00 H new ATOM 0 HG SER A 80 4.654 -41.309 9.453 1.00 0.00 H new ATOM 1254 N PHE A 81 3.093 -40.028 4.713 1.00 0.00 N ATOM 1255 CA PHE A 81 2.787 -38.989 3.736 1.00 0.00 C ATOM 1256 C PHE A 81 1.385 -39.176 3.164 1.00 0.00 C ATOM 1257 O PHE A 81 0.499 -38.347 3.378 1.00 0.00 O ATOM 1258 CB PHE A 81 3.818 -39.003 2.606 1.00 0.00 C ATOM 1259 CG PHE A 81 3.285 -38.480 1.302 1.00 0.00 C ATOM 1260 CD1 PHE A 81 2.933 -37.147 1.168 1.00 0.00 C ATOM 1261 CD2 PHE A 81 3.137 -39.322 0.212 1.00 0.00 C ATOM 1262 CE1 PHE A 81 2.443 -36.662 -0.030 1.00 0.00 C ATOM 1263 CE2 PHE A 81 2.648 -38.843 -0.989 1.00 0.00 C ATOM 1264 CZ PHE A 81 2.299 -37.512 -1.110 1.00 0.00 C ATOM 0 H PHE A 81 3.903 -40.602 4.479 1.00 0.00 H new ATOM 0 HA PHE A 81 2.827 -38.025 4.243 1.00 0.00 H new ATOM 0 HB2 PHE A 81 4.679 -38.405 2.903 1.00 0.00 H new ATOM 0 HB3 PHE A 81 4.173 -40.023 2.461 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.043 -36.479 2.009 1.00 0.00 H new ATOM 0 HD2 PHE A 81 3.407 -40.364 0.301 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.173 -35.620 -0.122 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.539 -39.509 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.914 -37.136 -2.047 1.00 0.00 H new ATOM 1274 N HIS A 82 1.191 -40.270 2.435 1.00 0.00 N ATOM 1275 CA HIS A 82 -0.103 -40.567 1.831 1.00 0.00 C ATOM 1276 C HIS A 82 -1.203 -40.592 2.888 1.00 0.00 C ATOM 1277 O HIS A 82 -2.263 -39.993 2.708 1.00 0.00 O ATOM 1278 CB HIS A 82 -0.052 -41.908 1.098 1.00 0.00 C ATOM 1279 CG HIS A 82 0.721 -41.862 -0.183 1.00 0.00 C ATOM 1280 ND1 HIS A 82 1.941 -42.484 -0.349 1.00 0.00 N ATOM 1281 CD2 HIS A 82 0.441 -41.265 -1.365 1.00 0.00 C ATOM 1282 CE1 HIS A 82 2.379 -42.269 -1.577 1.00 0.00 C ATOM 1283 NE2 HIS A 82 1.487 -41.533 -2.215 1.00 0.00 N ATOM 0 H HIS A 82 1.913 -40.966 2.248 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.331 -39.779 1.114 1.00 0.00 H new ATOM 0 HB2 HIS A 82 0.394 -42.655 1.755 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -1.070 -42.236 0.887 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -0.441 -40.686 -1.597 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.309 -42.633 -1.989 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.562 -41.215 -3.181 1.00 0.00 H new ATOM 1291 N ARG A 83 -0.943 -41.290 3.988 1.00 0.00 N ATOM 1292 CA ARG A 83 -1.912 -41.395 5.073 1.00 0.00 C ATOM 1293 C ARG A 83 -2.270 -40.015 5.617 1.00 0.00 C ATOM 1294 O ARG A 83 -3.433 -39.735 5.910 1.00 0.00 O ATOM 1295 CB ARG A 83 -1.356 -42.269 6.198 1.00 0.00 C ATOM 1296 CG ARG A 83 -2.203 -42.248 7.461 1.00 0.00 C ATOM 1297 CD ARG A 83 -1.628 -43.161 8.532 1.00 0.00 C ATOM 1298 NE ARG A 83 -2.616 -43.493 9.555 1.00 0.00 N ATOM 1299 CZ ARG A 83 -2.308 -44.047 10.723 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -1.045 -44.330 11.013 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -3.263 -44.320 11.602 1.00 0.00 N ATOM 0 H ARG A 83 -0.070 -41.791 4.152 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.816 -41.856 4.676 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.275 -43.296 5.842 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -0.347 -41.935 6.441 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -2.263 -41.229 7.844 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -3.220 -42.559 7.224 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -1.263 -44.078 8.069 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -0.771 -42.677 8.999 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.597 -43.288 9.362 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.308 -44.122 10.339 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.811 -44.755 11.910 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.235 -44.105 11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -3.025 -44.745 12.498 1.00 0.00 H new ATOM 1315 N HIS A 84 -1.264 -39.156 5.748 1.00 0.00 N ATOM 1316 CA HIS A 84 -1.474 -37.805 6.257 1.00 0.00 C ATOM 1317 C HIS A 84 -2.307 -36.981 5.281 1.00 0.00 C ATOM 1318 O HIS A 84 -3.313 -36.380 5.661 1.00 0.00 O ATOM 1319 CB HIS A 84 -0.131 -37.118 6.506 1.00 0.00 C ATOM 1320 CG HIS A 84 -0.220 -35.623 6.537 1.00 0.00 C ATOM 1321 ND1 HIS A 84 0.060 -34.876 7.662 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -0.559 -34.736 5.573 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -0.104 -33.594 7.388 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -0.480 -33.482 6.127 1.00 0.00 N ATOM 0 H HIS A 84 -0.296 -39.371 5.509 1.00 0.00 H new ATOM 0 HA HIS A 84 -2.017 -37.878 7.199 1.00 0.00 H new ATOM 0 HB2 HIS A 84 0.277 -37.469 7.454 1.00 0.00 H new ATOM 0 HB3 HIS A 84 0.570 -37.416 5.727 1.00 0.00 H new ATOM 0 HD1 HIS A 84 0.349 -35.254 8.564 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.840 -34.971 4.557 1.00 0.00 H new ATOM 0 HE1 HIS A 84 0.044 -32.777 8.078 1.00 0.00 H new ATOM 1332 N VAL A 85 -1.882 -36.955 4.022 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.590 -36.205 2.991 1.00 0.00 C ATOM 1334 C VAL A 85 -4.046 -36.644 2.893 1.00 0.00 C ATOM 1335 O VAL A 85 -4.933 -35.836 2.614 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.920 -36.374 1.614 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -2.586 -35.476 0.583 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.430 -36.081 1.707 1.00 0.00 C ATOM 0 H VAL A 85 -1.051 -37.445 3.691 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.550 -35.155 3.280 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.043 -37.408 1.293 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.100 -35.609 -0.383 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.640 -35.739 0.498 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.496 -34.435 0.895 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.027 -36.205 0.725 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.281 -35.057 2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 85 0.033 -36.771 2.413 1.00 0.00 H new ATOM 1348 N THR A 86 -4.288 -37.930 3.127 1.00 0.00 N ATOM 1349 CA THR A 86 -5.637 -38.478 3.065 1.00 0.00 C ATOM 1350 C THR A 86 -6.603 -37.657 3.911 1.00 0.00 C ATOM 1351 O THR A 86 -7.733 -37.392 3.499 1.00 0.00 O ATOM 1352 CB THR A 86 -5.671 -39.942 3.542 1.00 0.00 C ATOM 1353 OG1 THR A 86 -5.018 -40.784 2.585 1.00 0.00 O ATOM 1354 CG2 THR A 86 -7.104 -40.412 3.744 1.00 0.00 C ATOM 0 H THR A 86 -3.566 -38.612 3.361 1.00 0.00 H new ATOM 0 HA THR A 86 -5.947 -38.437 2.021 1.00 0.00 H new ATOM 0 HB THR A 86 -5.147 -40.003 4.496 1.00 0.00 H new ATOM 0 HG1 THR A 86 -4.061 -40.574 2.563 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.103 -41.449 4.081 1.00 0.00 H new ATOM 0 HG22 THR A 86 -7.590 -39.787 4.494 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.648 -40.337 2.802 1.00 0.00 H new ATOM 1362 N SER A 87 -6.152 -37.256 5.095 1.00 0.00 N ATOM 1363 CA SER A 87 -6.978 -36.466 6.001 1.00 0.00 C ATOM 1364 C SER A 87 -7.051 -35.013 5.543 1.00 0.00 C ATOM 1365 O SER A 87 -8.057 -34.334 5.750 1.00 0.00 O ATOM 1366 CB SER A 87 -6.423 -36.537 7.424 1.00 0.00 C ATOM 1367 OG SER A 87 -6.478 -37.861 7.928 1.00 0.00 O ATOM 0 H SER A 87 -5.219 -37.465 5.450 1.00 0.00 H new ATOM 0 HA SER A 87 -7.985 -36.883 5.991 1.00 0.00 H new ATOM 0 HB2 SER A 87 -5.392 -36.184 7.434 1.00 0.00 H new ATOM 0 HB3 SER A 87 -6.994 -35.873 8.074 1.00 0.00 H new ATOM 0 HG SER A 87 -6.116 -37.880 8.838 1.00 0.00 H new ATOM 1373 N CYS A 88 -5.977 -34.542 4.918 1.00 0.00 N ATOM 1374 CA CYS A 88 -5.916 -33.169 4.431 1.00 0.00 C ATOM 1375 C CYS A 88 -6.824 -32.982 3.219 1.00 0.00 C ATOM 1376 O CYS A 88 -7.316 -31.882 2.961 1.00 0.00 O ATOM 1377 CB CYS A 88 -4.477 -32.799 4.065 1.00 0.00 C ATOM 1378 SG CYS A 88 -3.553 -31.988 5.409 1.00 0.00 S ATOM 0 H CYS A 88 -5.137 -35.091 4.737 1.00 0.00 H new ATOM 0 HA CYS A 88 -6.262 -32.511 5.228 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -3.945 -33.703 3.767 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -4.492 -32.138 3.199 1.00 0.00 H new ATOM 0 HG CYS A 88 -2.430 -32.614 5.603 1.00 0.00 H new ATOM 1383 N THR A 89 -7.044 -34.063 2.478 1.00 0.00 N ATOM 1384 CA THR A 89 -7.892 -34.019 1.293 1.00 0.00 C ATOM 1385 C THR A 89 -9.354 -34.255 1.655 1.00 0.00 C ATOM 1386 O THR A 89 -10.226 -33.457 1.311 1.00 0.00 O ATOM 1387 CB THR A 89 -7.457 -35.066 0.251 1.00 0.00 C ATOM 1388 OG1 THR A 89 -6.031 -35.064 0.119 1.00 0.00 O ATOM 1389 CG2 THR A 89 -8.096 -34.783 -1.100 1.00 0.00 C ATOM 0 H THR A 89 -6.646 -34.981 2.678 1.00 0.00 H new ATOM 0 HA THR A 89 -7.783 -33.023 0.863 1.00 0.00 H new ATOM 0 HB THR A 89 -7.788 -36.046 0.594 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.625 -35.388 0.950 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.774 -35.536 -1.820 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.181 -34.815 -1.003 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.791 -33.796 -1.447 1.00 0.00 H new ATOM 1397 N LYS A 90 -9.616 -35.356 2.351 1.00 0.00 N ATOM 1398 CA LYS A 90 -10.972 -35.697 2.762 1.00 0.00 C ATOM 1399 C LYS A 90 -11.776 -34.441 3.082 1.00 0.00 C ATOM 1400 O LYS A 90 -12.964 -34.357 2.770 1.00 0.00 O ATOM 1401 CB LYS A 90 -10.941 -36.620 3.982 1.00 0.00 C ATOM 1402 CG LYS A 90 -10.896 -38.096 3.627 1.00 0.00 C ATOM 1403 CD LYS A 90 -10.459 -38.941 4.812 1.00 0.00 C ATOM 1404 CE LYS A 90 -11.469 -38.876 5.947 1.00 0.00 C ATOM 1405 NZ LYS A 90 -12.531 -39.910 5.804 1.00 0.00 N ATOM 0 H LYS A 90 -8.906 -36.028 2.642 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.456 -36.216 1.934 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.071 -36.375 4.591 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.822 -36.429 4.594 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.881 -38.421 3.291 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.208 -38.250 2.795 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -10.333 -39.976 4.495 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -9.488 -38.596 5.168 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -10.955 -39.012 6.899 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.926 -37.887 5.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -13.200 -39.833 6.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.038 -39.765 4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.098 -40.855 5.807 1.00 0.00 H new ATOM 1419 N SER A 91 -11.120 -33.466 3.704 1.00 0.00 N ATOM 1420 CA SER A 91 -11.775 -32.215 4.068 1.00 0.00 C ATOM 1421 C SER A 91 -11.770 -31.238 2.895 1.00 0.00 C ATOM 1422 O SER A 91 -12.805 -30.676 2.537 1.00 0.00 O ATOM 1423 CB SER A 91 -11.080 -31.584 5.275 1.00 0.00 C ATOM 1424 OG SER A 91 -11.909 -30.613 5.891 1.00 0.00 O ATOM 0 H SER A 91 -10.136 -33.519 3.966 1.00 0.00 H new ATOM 0 HA SER A 91 -12.810 -32.437 4.329 1.00 0.00 H new ATOM 0 HB2 SER A 91 -10.824 -32.359 5.997 1.00 0.00 H new ATOM 0 HB3 SER A 91 -10.145 -31.121 4.959 1.00 0.00 H new ATOM 0 HG SER A 91 -11.443 -30.226 6.661 1.00 0.00 H new ATOM 1430 N TYR A 92 -10.598 -31.042 2.303 1.00 0.00 N ATOM 1431 CA TYR A 92 -10.455 -30.131 1.173 1.00 0.00 C ATOM 1432 C TYR A 92 -11.523 -30.402 0.118 1.00 0.00 C ATOM 1433 O TYR A 92 -12.097 -29.475 -0.453 1.00 0.00 O ATOM 1434 CB TYR A 92 -9.064 -30.268 0.553 1.00 0.00 C ATOM 1435 CG TYR A 92 -8.859 -29.404 -0.671 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -9.460 -29.726 -1.881 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -8.063 -28.266 -0.617 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -9.275 -28.940 -3.002 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -7.874 -27.473 -1.732 1.00 0.00 C ATOM 1440 CZ TYR A 92 -8.482 -27.815 -2.923 1.00 0.00 C ATOM 1441 OH TYR A 92 -8.294 -27.028 -4.036 1.00 0.00 O ATOM 0 H TYR A 92 -9.733 -31.502 2.586 1.00 0.00 H new ATOM 0 HA TYR A 92 -10.582 -29.113 1.541 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -8.315 -30.008 1.301 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.897 -31.311 0.284 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.083 -30.606 -1.947 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -7.584 -27.997 0.313 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -9.749 -29.205 -3.935 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.254 -26.591 -1.672 1.00 0.00 H new ATOM 0 HH TYR A 92 -7.710 -26.275 -3.809 1.00 0.00 H new ATOM 1451 N GLU A 93 -11.785 -31.681 -0.136 1.00 0.00 N ATOM 1452 CA GLU A 93 -12.784 -32.075 -1.122 1.00 0.00 C ATOM 1453 C GLU A 93 -14.118 -31.386 -0.851 1.00 0.00 C ATOM 1454 O GLU A 93 -14.894 -31.128 -1.770 1.00 0.00 O ATOM 1455 CB GLU A 93 -12.971 -33.593 -1.114 1.00 0.00 C ATOM 1456 CG GLU A 93 -12.023 -34.328 -2.047 1.00 0.00 C ATOM 1457 CD GLU A 93 -12.436 -35.768 -2.282 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -13.173 -36.320 -1.438 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -12.021 -36.344 -3.310 1.00 0.00 O ATOM 0 H GLU A 93 -11.319 -32.461 0.328 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.428 -31.765 -2.105 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.828 -33.963 -0.099 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.998 -33.826 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.982 -33.805 -3.003 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.017 -34.306 -1.628 1.00 0.00 H new