USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=31 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 -163:sc= -0.779 USER MOD Set 1.2: A 71 CYS SG : rot -101:sc= -1.63 USER MOD Set 1.3: A 84 HIS : no HE2:sc= -2.92! X(o=-4.5!,f=-4.4) USER MOD Set 1.4: A 88 CYS SG : rot -39:sc= 0.867 USER MOD Set 2.1: A 51 HIS : no HE2:sc= -3.1 K(o=-7.1,f=-8.1!) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -4.04! C(o=-7.1!,f=-7.2!) USER MOD Set 3.1: A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0821) USER MOD Set 3.2: A 49 MET CE :methyl -155:sc= 0 (180deg=0) USER MOD Set 4.1: A 40 CYS SG : rot -135:sc= -2.77 USER MOD Set 4.2: A 43 CYS SG : rot -120:sc= -1.12 USER MOD Set 4.3: A 56 HIS : no HE2:sc= -2.74! C(o=-16!,f=-17!) USER MOD Set 4.4: A 57 MET CE :methyl -177:sc= -5.86! (180deg=-3.08!) USER MOD Set 4.5: A 60 HIS : no HE2:sc= -3.76 K(o=-16,f=-17!) USER MOD Set 5.1: A 13 CYS SG : rot -171:sc= 0.433 USER MOD Set 5.2: A 15 CYS SG : rot -64:sc= -2.16 USER MOD Set 5.3: A 28 HIS : no HD1:sc= -0.949 K(o=-5.1,f=-7) USER MOD Set 5.4: A 31 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 5.5: A 32 HIS :FLIP no HD1:sc= -2.46 F(o=-5.7!,f=-5.1) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 30:sc= 0.327 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=-0.085) USER MOD Single : A 22 LYS NZ :NH3+ -115:sc= -3.36! (180deg=-8.27!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.278 X(o=-0.28,f=-0.44) USER MOD Single : A 29 MET CE :methyl -147:sc= -0.609 (180deg=-2.26!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00443) USER MOD Single : A 46 LYS NZ :NH3+ 138:sc= -0.392 (180deg=-2.05!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.031 USER MOD Single : A 69 ASN : amide:sc= -0.341 K(o=-0.34,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.221 X(o=-0.22,f=-0.04) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 67:sc= 0.618 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 1.832 6.761 16.767 1.00 0.00 N ATOM 120 CA TYR A 11 3.280 6.771 16.934 1.00 0.00 C ATOM 121 C TYR A 11 3.980 7.036 15.605 1.00 0.00 C ATOM 122 O TYR A 11 3.819 6.301 14.631 1.00 0.00 O ATOM 123 CB TYR A 11 3.756 5.439 17.517 1.00 0.00 C ATOM 124 CG TYR A 11 3.241 5.170 18.912 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.908 4.845 19.132 1.00 0.00 C ATOM 126 CD2 TYR A 11 4.088 5.239 20.012 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.433 4.599 20.406 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.622 4.994 21.289 1.00 0.00 C ATOM 129 CZ TYR A 11 2.294 4.675 21.481 1.00 0.00 C ATOM 130 OH TYR A 11 1.825 4.429 22.751 1.00 0.00 O ATOM 0 HA TYR A 11 3.535 7.575 17.625 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.438 4.630 16.859 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.846 5.428 17.533 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.231 4.784 18.292 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.129 5.489 19.866 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.394 4.349 20.559 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.294 5.052 22.133 1.00 0.00 H new ATOM 0 HH TYR A 11 2.558 4.523 23.394 1.00 0.00 H new ATOM 140 N PRO A 12 4.778 8.114 15.562 1.00 0.00 N ATOM 141 CA PRO A 12 5.520 8.502 14.359 1.00 0.00 C ATOM 142 C PRO A 12 6.651 7.531 14.037 1.00 0.00 C ATOM 143 O PRO A 12 7.531 7.290 14.863 1.00 0.00 O ATOM 144 CB PRO A 12 6.085 9.878 14.720 1.00 0.00 C ATOM 145 CG PRO A 12 6.169 9.876 16.207 1.00 0.00 C ATOM 146 CD PRO A 12 5.017 9.035 16.686 1.00 0.00 C ATOM 0 HA PRO A 12 4.886 8.505 13.472 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.065 10.034 14.269 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.437 10.678 14.361 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.120 9.463 16.544 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.103 10.889 16.603 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.265 8.497 17.601 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.138 9.643 16.902 1.00 0.00 H new ATOM 154 N CYS A 13 6.620 6.975 12.830 1.00 0.00 N ATOM 155 CA CYS A 13 7.642 6.029 12.398 1.00 0.00 C ATOM 156 C CYS A 13 8.744 6.739 11.617 1.00 0.00 C ATOM 157 O CYS A 13 8.534 7.823 11.075 1.00 0.00 O ATOM 158 CB CYS A 13 7.018 4.930 11.535 1.00 0.00 C ATOM 159 SG CYS A 13 8.070 3.458 11.330 1.00 0.00 S ATOM 0 H CYS A 13 5.898 7.163 12.134 1.00 0.00 H new ATOM 0 HA CYS A 13 8.083 5.578 13.287 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.071 4.627 11.981 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.791 5.341 10.551 1.00 0.00 H new ATOM 0 HG CYS A 13 7.546 2.671 10.438 1.00 0.00 H new ATOM 164 N GLN A 14 9.918 6.118 11.564 1.00 0.00 N ATOM 165 CA GLN A 14 11.053 6.691 10.850 1.00 0.00 C ATOM 166 C GLN A 14 10.686 6.999 9.403 1.00 0.00 C ATOM 167 O GLN A 14 11.056 8.045 8.867 1.00 0.00 O ATOM 168 CB GLN A 14 12.246 5.733 10.894 1.00 0.00 C ATOM 169 CG GLN A 14 13.421 6.187 10.043 1.00 0.00 C ATOM 170 CD GLN A 14 14.236 5.026 9.507 1.00 0.00 C ATOM 171 OE1 GLN A 14 14.474 4.924 8.303 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.669 4.144 10.400 1.00 0.00 N ATOM 0 H GLN A 14 10.108 5.219 12.007 1.00 0.00 H new ATOM 0 HA GLN A 14 11.327 7.624 11.342 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.576 5.624 11.927 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.923 4.748 10.557 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.052 6.783 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.066 6.835 10.637 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.448 4.268 11.388 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.223 3.342 10.098 1.00 0.00 H new ATOM 181 N CYS A 15 9.958 6.083 8.774 1.00 0.00 N ATOM 182 CA CYS A 15 9.541 6.256 7.388 1.00 0.00 C ATOM 183 C CYS A 15 8.620 7.464 7.243 1.00 0.00 C ATOM 184 O CYS A 15 8.549 8.080 6.181 1.00 0.00 O ATOM 185 CB CYS A 15 8.831 4.996 6.886 1.00 0.00 C ATOM 186 SG CYS A 15 7.383 4.513 7.880 1.00 0.00 S ATOM 0 H CYS A 15 9.644 5.212 9.203 1.00 0.00 H new ATOM 0 HA CYS A 15 10.433 6.427 6.785 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.514 5.157 5.856 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.543 4.171 6.875 1.00 0.00 H new ATOM 0 HG CYS A 15 7.766 4.205 9.083 1.00 0.00 H new ATOM 191 N GLY A 16 7.916 7.796 8.321 1.00 0.00 N ATOM 192 CA GLY A 16 7.009 8.929 8.294 1.00 0.00 C ATOM 193 C GLY A 16 5.583 8.538 8.631 1.00 0.00 C ATOM 194 O GLY A 16 4.765 9.389 8.981 1.00 0.00 O ATOM 0 H GLY A 16 7.957 7.301 9.212 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.353 9.683 9.002 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.033 9.386 7.305 1.00 0.00 H new ATOM 198 N LYS A 17 5.284 7.248 8.525 1.00 0.00 N ATOM 199 CA LYS A 17 3.948 6.745 8.821 1.00 0.00 C ATOM 200 C LYS A 17 3.619 6.912 10.301 1.00 0.00 C ATOM 201 O LYS A 17 4.450 7.375 11.083 1.00 0.00 O ATOM 202 CB LYS A 17 3.836 5.271 8.426 1.00 0.00 C ATOM 203 CG LYS A 17 3.289 5.056 7.025 1.00 0.00 C ATOM 204 CD LYS A 17 3.870 3.806 6.386 1.00 0.00 C ATOM 205 CE LYS A 17 5.098 4.127 5.548 1.00 0.00 C ATOM 206 NZ LYS A 17 4.734 4.521 4.159 1.00 0.00 N ATOM 0 H LYS A 17 5.950 6.531 8.236 1.00 0.00 H new ATOM 0 HA LYS A 17 3.232 7.326 8.240 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.821 4.809 8.497 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.191 4.760 9.141 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.203 4.974 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 17 3.520 5.923 6.406 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.136 3.089 7.163 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.115 3.332 5.759 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.658 4.934 6.019 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.755 3.258 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.598 4.732 3.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 4.221 3.741 3.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.128 5.366 4.185 1.00 0.00 H new ATOM 220 N SER A 18 2.403 6.532 10.679 1.00 0.00 N ATOM 221 CA SER A 18 1.964 6.642 12.065 1.00 0.00 C ATOM 222 C SER A 18 1.056 5.475 12.442 1.00 0.00 C ATOM 223 O SER A 18 0.003 5.272 11.837 1.00 0.00 O ATOM 224 CB SER A 18 1.230 7.966 12.286 1.00 0.00 C ATOM 225 OG SER A 18 0.127 8.091 11.405 1.00 0.00 O ATOM 0 H SER A 18 1.704 6.145 10.045 1.00 0.00 H new ATOM 0 HA SER A 18 2.847 6.613 12.703 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.884 8.026 13.318 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.918 8.797 12.132 1.00 0.00 H new ATOM 0 HG SER A 18 -0.225 7.201 11.193 1.00 0.00 H new ATOM 231 N PHE A 19 1.472 4.710 13.446 1.00 0.00 N ATOM 232 CA PHE A 19 0.698 3.562 13.904 1.00 0.00 C ATOM 233 C PHE A 19 -0.028 3.881 15.208 1.00 0.00 C ATOM 234 O PHE A 19 0.498 4.587 16.069 1.00 0.00 O ATOM 235 CB PHE A 19 1.611 2.350 14.099 1.00 0.00 C ATOM 236 CG PHE A 19 2.431 2.016 12.885 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.624 2.675 12.636 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.009 1.043 11.994 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.380 2.370 11.520 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.761 0.733 10.876 1.00 0.00 C ATOM 241 CZ PHE A 19 3.948 1.397 10.640 1.00 0.00 C ATOM 0 H PHE A 19 2.341 4.864 13.958 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.046 3.329 13.142 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.280 2.540 14.938 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.003 1.486 14.366 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.967 3.436 13.322 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.081 0.520 12.175 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.308 2.892 11.336 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.420 -0.027 10.189 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.538 1.156 9.768 1.00 0.00 H new ATOM 251 N THR A 20 -1.241 3.355 15.347 1.00 0.00 N ATOM 252 CA THR A 20 -2.041 3.584 16.544 1.00 0.00 C ATOM 253 C THR A 20 -1.417 2.908 17.759 1.00 0.00 C ATOM 254 O THR A 20 -1.667 3.303 18.898 1.00 0.00 O ATOM 255 CB THR A 20 -3.480 3.066 16.364 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.039 3.582 15.151 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.352 3.472 17.543 1.00 0.00 C ATOM 0 H THR A 20 -1.691 2.767 14.645 1.00 0.00 H new ATOM 0 HA THR A 20 -2.068 4.662 16.706 1.00 0.00 H new ATOM 0 HB THR A 20 -3.447 1.978 16.314 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.953 3.246 15.043 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.364 3.095 17.394 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.940 3.053 18.461 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.377 4.559 17.620 1.00 0.00 H new ATOM 265 N HIS A 21 -0.604 1.886 17.510 1.00 0.00 N ATOM 266 CA HIS A 21 0.057 1.155 18.586 1.00 0.00 C ATOM 267 C HIS A 21 1.574 1.266 18.466 1.00 0.00 C ATOM 268 O HIS A 21 2.114 1.375 17.365 1.00 0.00 O ATOM 269 CB HIS A 21 -0.362 -0.315 18.564 1.00 0.00 C ATOM 270 CG HIS A 21 -1.662 -0.578 19.260 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.850 -0.364 20.609 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.842 -1.039 18.785 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.090 -0.684 20.934 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.713 -1.096 19.845 1.00 0.00 N ATOM 0 H HIS A 21 -0.387 1.545 16.573 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.248 1.598 19.534 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.440 -0.646 17.529 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.419 -0.914 19.032 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.059 -1.311 17.763 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.521 -0.620 21.922 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.684 -1.406 19.799 1.00 0.00 H new ATOM 282 N LYS A 22 2.256 1.239 19.606 1.00 0.00 N ATOM 283 CA LYS A 22 3.711 1.337 19.630 1.00 0.00 C ATOM 284 C LYS A 22 4.348 0.117 18.972 1.00 0.00 C ATOM 285 O LYS A 22 5.302 0.243 18.204 1.00 0.00 O ATOM 286 CB LYS A 22 4.209 1.471 21.071 1.00 0.00 C ATOM 287 CG LYS A 22 5.723 1.451 21.195 1.00 0.00 C ATOM 288 CD LYS A 22 6.326 2.810 20.881 1.00 0.00 C ATOM 289 CE LYS A 22 7.718 2.953 21.477 1.00 0.00 C ATOM 290 NZ LYS A 22 8.136 4.379 21.576 1.00 0.00 N ATOM 0 H LYS A 22 1.824 1.150 20.526 1.00 0.00 H new ATOM 0 HA LYS A 22 4.001 2.225 19.068 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.830 2.402 21.492 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.793 0.659 21.667 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.002 1.153 22.205 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.135 0.704 20.517 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.376 2.946 19.801 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.679 3.595 21.272 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.737 2.500 22.468 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.434 2.407 20.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.949 4.547 20.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.346 4.993 21.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.405 4.594 22.557 1.00 0.00 H new ATOM 304 N SER A 23 3.814 -1.061 19.277 1.00 0.00 N ATOM 305 CA SER A 23 4.333 -2.303 18.717 1.00 0.00 C ATOM 306 C SER A 23 4.317 -2.260 17.192 1.00 0.00 C ATOM 307 O SER A 23 5.334 -2.503 16.543 1.00 0.00 O ATOM 308 CB SER A 23 3.511 -3.494 19.213 1.00 0.00 C ATOM 309 OG SER A 23 4.158 -4.720 18.915 1.00 0.00 O ATOM 0 H SER A 23 3.022 -1.181 19.909 1.00 0.00 H new ATOM 0 HA SER A 23 5.365 -2.419 19.049 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.359 -3.412 20.289 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.525 -3.478 18.749 1.00 0.00 H new ATOM 0 HG SER A 23 3.614 -5.466 19.244 1.00 0.00 H new ATOM 315 N GLN A 24 3.154 -1.949 16.627 1.00 0.00 N ATOM 316 CA GLN A 24 3.004 -1.875 15.179 1.00 0.00 C ATOM 317 C GLN A 24 4.054 -0.951 14.570 1.00 0.00 C ATOM 318 O GLN A 24 4.556 -1.203 13.474 1.00 0.00 O ATOM 319 CB GLN A 24 1.602 -1.383 14.815 1.00 0.00 C ATOM 320 CG GLN A 24 0.525 -2.443 14.975 1.00 0.00 C ATOM 321 CD GLN A 24 0.787 -3.674 14.130 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.353 -4.659 14.607 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.377 -3.625 12.869 1.00 0.00 N ATOM 0 H GLN A 24 2.303 -1.744 17.150 1.00 0.00 H new ATOM 0 HA GLN A 24 3.147 -2.876 14.772 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.353 -0.526 15.441 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.605 -1.033 13.783 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.460 -2.734 16.023 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.441 -2.018 14.702 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.088 -2.788 12.516 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.526 -4.424 12.253 1.00 0.00 H new ATOM 332 N ARG A 25 4.381 0.119 15.287 1.00 0.00 N ATOM 333 CA ARG A 25 5.370 1.081 14.816 1.00 0.00 C ATOM 334 C ARG A 25 6.786 0.549 15.017 1.00 0.00 C ATOM 335 O ARG A 25 7.673 0.789 14.198 1.00 0.00 O ATOM 336 CB ARG A 25 5.206 2.414 15.549 1.00 0.00 C ATOM 337 CG ARG A 25 6.232 3.461 15.147 1.00 0.00 C ATOM 338 CD ARG A 25 7.466 3.401 16.034 1.00 0.00 C ATOM 339 NE ARG A 25 7.249 4.063 17.318 1.00 0.00 N ATOM 340 CZ ARG A 25 8.203 4.703 17.985 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.432 4.767 17.493 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.928 5.281 19.148 1.00 0.00 N ATOM 0 H ARG A 25 3.976 0.342 16.196 1.00 0.00 H new ATOM 0 HA ARG A 25 5.207 1.238 13.750 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.207 2.804 15.356 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.279 2.240 16.623 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.522 3.308 14.108 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.785 4.453 15.210 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.740 2.360 16.205 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.305 3.871 15.521 1.00 0.00 H new ATOM 0 HE ARG A 25 6.314 4.032 17.725 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.647 4.324 16.600 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.162 5.259 18.008 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.983 5.234 19.530 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.661 5.772 19.659 1.00 0.00 H new ATOM 356 N ASP A 26 6.990 -0.175 16.113 1.00 0.00 N ATOM 357 CA ASP A 26 8.297 -0.743 16.422 1.00 0.00 C ATOM 358 C ASP A 26 8.713 -1.758 15.362 1.00 0.00 C ATOM 359 O ASP A 26 9.803 -1.670 14.797 1.00 0.00 O ATOM 360 CB ASP A 26 8.276 -1.405 17.801 1.00 0.00 C ATOM 361 CG ASP A 26 9.664 -1.552 18.393 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.563 -2.048 17.682 1.00 0.00 O ATOM 363 OD2 ASP A 26 9.851 -1.170 19.567 1.00 0.00 O ATOM 0 H ASP A 26 6.267 -0.382 16.802 1.00 0.00 H new ATOM 0 HA ASP A 26 9.026 0.067 16.428 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.657 -0.813 18.476 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.812 -2.388 17.722 1.00 0.00 H new ATOM 368 N ARG A 27 7.838 -2.723 15.099 1.00 0.00 N ATOM 369 CA ARG A 27 8.115 -3.757 14.110 1.00 0.00 C ATOM 370 C ARG A 27 8.456 -3.138 12.757 1.00 0.00 C ATOM 371 O ARG A 27 9.226 -3.704 11.980 1.00 0.00 O ATOM 372 CB ARG A 27 6.912 -4.691 13.966 1.00 0.00 C ATOM 373 CG ARG A 27 5.743 -4.068 13.221 1.00 0.00 C ATOM 374 CD ARG A 27 4.667 -5.098 12.911 1.00 0.00 C ATOM 375 NE ARG A 27 3.703 -4.604 11.931 1.00 0.00 N ATOM 376 CZ ARG A 27 3.901 -4.651 10.619 1.00 0.00 C ATOM 377 NH1 ARG A 27 5.021 -5.167 10.131 1.00 0.00 N ATOM 378 NH2 ARG A 27 2.976 -4.182 9.790 1.00 0.00 N ATOM 0 H ARG A 27 6.931 -2.810 15.557 1.00 0.00 H new ATOM 0 HA ARG A 27 8.974 -4.333 14.454 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.225 -5.595 13.443 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.579 -4.996 14.958 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.316 -3.263 13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.098 -3.621 12.293 1.00 0.00 H new ATOM 0 HD2 ARG A 27 5.134 -6.008 12.534 1.00 0.00 H new ATOM 0 HD3 ARG A 27 4.145 -5.365 13.830 1.00 0.00 H new ATOM 0 HE ARG A 27 2.831 -4.201 12.273 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.734 -5.529 10.764 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.170 -5.201 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.113 -3.785 10.161 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.129 -4.218 8.782 1.00 0.00 H new ATOM 392 N HIS A 28 7.879 -1.973 12.483 1.00 0.00 N ATOM 393 CA HIS A 28 8.122 -1.276 11.225 1.00 0.00 C ATOM 394 C HIS A 28 9.469 -0.561 11.251 1.00 0.00 C ATOM 395 O HIS A 28 10.022 -0.221 10.206 1.00 0.00 O ATOM 396 CB HIS A 28 7.002 -0.272 10.949 1.00 0.00 C ATOM 397 CG HIS A 28 6.764 -0.026 9.491 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.761 1.234 8.931 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.521 -0.888 8.476 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.525 1.137 7.635 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.376 -0.140 7.333 1.00 0.00 N ATOM 0 H HIS A 28 7.240 -1.491 13.115 1.00 0.00 H new ATOM 0 HA HIS A 28 8.140 -2.017 10.425 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.080 -0.635 11.403 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.245 0.674 11.434 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.454 -1.963 8.551 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.464 1.962 6.940 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.184 -0.511 6.402 1.00 0.00 H new ATOM 409 N MET A 29 9.990 -0.335 12.453 1.00 0.00 N ATOM 410 CA MET A 29 11.272 0.341 12.614 1.00 0.00 C ATOM 411 C MET A 29 12.426 -0.650 12.498 1.00 0.00 C ATOM 412 O MET A 29 13.479 -0.329 11.948 1.00 0.00 O ATOM 413 CB MET A 29 11.331 1.054 13.967 1.00 0.00 C ATOM 414 CG MET A 29 10.819 2.484 13.922 1.00 0.00 C ATOM 415 SD MET A 29 12.119 3.676 13.549 1.00 0.00 S ATOM 416 CE MET A 29 13.331 3.257 14.800 1.00 0.00 C ATOM 0 H MET A 29 9.545 -0.610 13.329 1.00 0.00 H new ATOM 0 HA MET A 29 11.368 1.080 11.818 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.745 0.489 14.692 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.361 1.056 14.323 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.034 2.561 13.170 1.00 0.00 H new ATOM 0 HG3 MET A 29 10.367 2.734 14.882 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.862 4.158 15.108 1.00 0.00 H new ATOM 0 HE2 MET A 29 12.828 2.820 15.662 1.00 0.00 H new ATOM 0 HE3 MET A 29 14.042 2.538 14.392 1.00 0.00 H new ATOM 426 N SER A 30 12.221 -1.855 13.021 1.00 0.00 N ATOM 427 CA SER A 30 13.247 -2.891 12.980 1.00 0.00 C ATOM 428 C SER A 30 13.435 -3.412 11.558 1.00 0.00 C ATOM 429 O SER A 30 14.524 -3.844 11.183 1.00 0.00 O ATOM 430 CB SER A 30 12.874 -4.044 13.913 1.00 0.00 C ATOM 431 OG SER A 30 13.004 -3.663 15.272 1.00 0.00 O ATOM 0 H SER A 30 11.354 -2.138 13.478 1.00 0.00 H new ATOM 0 HA SER A 30 14.187 -2.452 13.315 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.849 -4.358 13.717 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.515 -4.902 13.710 1.00 0.00 H new ATOM 0 HG SER A 30 12.758 -4.417 15.848 1.00 0.00 H new ATOM 437 N MET A 31 12.364 -3.369 10.772 1.00 0.00 N ATOM 438 CA MET A 31 12.411 -3.836 9.391 1.00 0.00 C ATOM 439 C MET A 31 13.128 -2.826 8.500 1.00 0.00 C ATOM 440 O MET A 31 13.776 -3.198 7.521 1.00 0.00 O ATOM 441 CB MET A 31 10.995 -4.083 8.866 1.00 0.00 C ATOM 442 CG MET A 31 10.275 -2.813 8.441 1.00 0.00 C ATOM 443 SD MET A 31 8.732 -3.149 7.570 1.00 0.00 S ATOM 444 CE MET A 31 8.881 -2.033 6.177 1.00 0.00 C ATOM 0 H MET A 31 11.454 -3.016 11.067 1.00 0.00 H new ATOM 0 HA MET A 31 12.968 -4.773 9.368 1.00 0.00 H new ATOM 0 HB2 MET A 31 11.045 -4.764 8.017 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.411 -4.581 9.640 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.066 -2.206 9.322 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.931 -2.226 7.798 1.00 0.00 H new ATOM 0 HE1 MET A 31 8.000 -2.124 5.542 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.963 -1.008 6.539 1.00 0.00 H new ATOM 0 HE3 MET A 31 9.771 -2.287 5.601 1.00 0.00 H new ATOM 454 N HIS A 32 13.007 -1.548 8.845 1.00 0.00 N ATOM 455 CA HIS A 32 13.644 -0.485 8.076 1.00 0.00 C ATOM 456 C HIS A 32 15.139 -0.747 7.923 1.00 0.00 C ATOM 457 O HIS A 32 15.702 -0.578 6.840 1.00 0.00 O ATOM 458 CB HIS A 32 13.417 0.868 8.750 1.00 0.00 C ATOM 459 CG HIS A 32 12.053 1.437 8.508 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.227 2.135 9.322 1.00 0.00 N flip ATOM 461 CD2 HIS A 32 11.388 1.313 7.306 1.00 0.00 C flip ATOM 462 CE1 HIS A 32 10.091 2.418 8.605 1.00 0.00 C flip ATOM 463 NE2 HIS A 32 10.214 1.911 7.391 1.00 0.00 N flip ATOM 0 H HIS A 32 12.474 -1.224 9.652 1.00 0.00 H new ATOM 0 HA HIS A 32 13.193 -0.467 7.084 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.571 0.760 9.824 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.165 1.574 8.390 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.768 0.806 6.432 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.236 2.966 8.973 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.520 1.971 6.646 1.00 0.00 H new ATOM 582 N CYS A 40 14.839 -4.492 -7.810 1.00 0.00 N ATOM 583 CA CYS A 40 14.749 -4.408 -9.262 1.00 0.00 C ATOM 584 C CYS A 40 14.399 -5.766 -9.864 1.00 0.00 C ATOM 585 O CYS A 40 15.243 -6.658 -9.945 1.00 0.00 O ATOM 586 CB CYS A 40 16.070 -3.904 -9.848 1.00 0.00 C ATOM 587 SG CYS A 40 16.167 -4.012 -11.664 1.00 0.00 S ATOM 0 HA CYS A 40 13.956 -3.703 -9.512 1.00 0.00 H new ATOM 0 HB2 CYS A 40 16.216 -2.866 -9.548 1.00 0.00 H new ATOM 0 HB3 CYS A 40 16.889 -4.479 -9.416 1.00 0.00 H new ATOM 0 HG CYS A 40 17.323 -4.496 -12.009 1.00 0.00 H new ATOM 592 N GLY A 41 13.147 -5.915 -10.287 1.00 0.00 N ATOM 593 CA GLY A 41 12.707 -7.166 -10.876 1.00 0.00 C ATOM 594 C GLY A 41 13.098 -7.289 -12.335 1.00 0.00 C ATOM 595 O GLY A 41 12.359 -7.860 -13.138 1.00 0.00 O ATOM 0 H GLY A 41 12.430 -5.192 -10.232 1.00 0.00 H new ATOM 0 HA2 GLY A 41 13.135 -7.998 -10.317 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.624 -7.245 -10.785 1.00 0.00 H new ATOM 599 N VAL A 42 14.263 -6.750 -12.681 1.00 0.00 N ATOM 600 CA VAL A 42 14.751 -6.802 -14.054 1.00 0.00 C ATOM 601 C VAL A 42 16.141 -7.425 -14.121 1.00 0.00 C ATOM 602 O VAL A 42 16.424 -8.248 -14.992 1.00 0.00 O ATOM 603 CB VAL A 42 14.799 -5.398 -14.686 1.00 0.00 C ATOM 604 CG1 VAL A 42 15.256 -5.479 -16.135 1.00 0.00 C ATOM 605 CG2 VAL A 42 13.440 -4.721 -14.583 1.00 0.00 C ATOM 0 H VAL A 42 14.886 -6.273 -12.030 1.00 0.00 H new ATOM 0 HA VAL A 42 14.051 -7.422 -14.615 1.00 0.00 H new ATOM 0 HB VAL A 42 15.522 -4.796 -14.136 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.284 -4.477 -16.564 1.00 0.00 H new ATOM 0 HG12 VAL A 42 16.252 -5.920 -16.178 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.560 -6.098 -16.702 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.492 -3.730 -15.034 1.00 0.00 H new ATOM 0 HG22 VAL A 42 12.695 -5.320 -15.107 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.159 -4.628 -13.534 1.00 0.00 H new ATOM 615 N CYS A 43 17.006 -7.027 -13.194 1.00 0.00 N ATOM 616 CA CYS A 43 18.368 -7.545 -13.146 1.00 0.00 C ATOM 617 C CYS A 43 18.611 -8.318 -11.852 1.00 0.00 C ATOM 618 O CYS A 43 19.307 -9.332 -11.843 1.00 0.00 O ATOM 619 CB CYS A 43 19.376 -6.401 -13.266 1.00 0.00 C ATOM 620 SG CYS A 43 19.545 -5.397 -11.755 1.00 0.00 S ATOM 0 H CYS A 43 16.788 -6.347 -12.466 1.00 0.00 H new ATOM 0 HA CYS A 43 18.500 -8.226 -13.986 1.00 0.00 H new ATOM 0 HB2 CYS A 43 20.350 -6.815 -13.525 1.00 0.00 H new ATOM 0 HB3 CYS A 43 19.077 -5.752 -14.089 1.00 0.00 H new ATOM 0 HG CYS A 43 19.232 -4.163 -12.017 1.00 0.00 H new ATOM 625 N GLY A 44 18.030 -7.830 -10.760 1.00 0.00 N ATOM 626 CA GLY A 44 18.194 -8.486 -9.476 1.00 0.00 C ATOM 627 C GLY A 44 18.862 -7.593 -8.450 1.00 0.00 C ATOM 628 O GLY A 44 19.575 -8.073 -7.568 1.00 0.00 O ATOM 0 H GLY A 44 17.449 -6.992 -10.742 1.00 0.00 H new ATOM 0 HA2 GLY A 44 17.218 -8.796 -9.103 1.00 0.00 H new ATOM 0 HA3 GLY A 44 18.787 -9.391 -9.607 1.00 0.00 H new ATOM 632 N LYS A 45 18.634 -6.289 -8.564 1.00 0.00 N ATOM 633 CA LYS A 45 19.219 -5.325 -7.640 1.00 0.00 C ATOM 634 C LYS A 45 18.234 -4.968 -6.531 1.00 0.00 C ATOM 635 O LYS A 45 17.105 -5.457 -6.509 1.00 0.00 O ATOM 636 CB LYS A 45 19.640 -4.059 -8.389 1.00 0.00 C ATOM 637 CG LYS A 45 21.079 -4.090 -8.874 1.00 0.00 C ATOM 638 CD LYS A 45 21.680 -2.695 -8.926 1.00 0.00 C ATOM 639 CE LYS A 45 22.072 -2.205 -7.541 1.00 0.00 C ATOM 640 NZ LYS A 45 23.353 -2.809 -7.081 1.00 0.00 N ATOM 0 H LYS A 45 18.047 -5.875 -9.288 1.00 0.00 H new ATOM 0 HA LYS A 45 20.099 -5.782 -7.188 1.00 0.00 H new ATOM 0 HB2 LYS A 45 18.980 -3.917 -9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 45 19.504 -3.198 -7.735 1.00 0.00 H new ATOM 0 HG2 LYS A 45 21.674 -4.719 -8.212 1.00 0.00 H new ATOM 0 HG3 LYS A 45 21.120 -4.542 -9.865 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.557 -2.699 -9.573 1.00 0.00 H new ATOM 0 HD3 LYS A 45 20.962 -2.004 -9.368 1.00 0.00 H new ATOM 0 HE2 LYS A 45 22.166 -1.119 -7.553 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.281 -2.448 -6.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 23.612 -2.412 -6.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 23.240 -3.839 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.103 -2.598 -7.770 1.00 0.00 H new ATOM 654 N LYS A 46 18.670 -4.112 -5.613 1.00 0.00 N ATOM 655 CA LYS A 46 17.826 -3.687 -4.502 1.00 0.00 C ATOM 656 C LYS A 46 18.318 -2.366 -3.920 1.00 0.00 C ATOM 657 O LYS A 46 19.480 -1.995 -4.091 1.00 0.00 O ATOM 658 CB LYS A 46 17.805 -4.760 -3.411 1.00 0.00 C ATOM 659 CG LYS A 46 17.121 -6.047 -3.838 1.00 0.00 C ATOM 660 CD LYS A 46 16.589 -6.819 -2.642 1.00 0.00 C ATOM 661 CE LYS A 46 17.713 -7.493 -1.869 1.00 0.00 C ATOM 662 NZ LYS A 46 18.438 -6.530 -0.994 1.00 0.00 N ATOM 0 H LYS A 46 19.603 -3.699 -5.616 1.00 0.00 H new ATOM 0 HA LYS A 46 16.814 -3.543 -4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 46 18.829 -4.984 -3.114 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.297 -4.363 -2.532 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.300 -5.816 -4.517 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.826 -6.669 -4.390 1.00 0.00 H new ATOM 0 HD2 LYS A 46 16.047 -6.142 -1.982 1.00 0.00 H new ATOM 0 HD3 LYS A 46 15.877 -7.571 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 46 17.303 -8.299 -1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 46 18.414 -7.947 -2.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.629 -6.974 -0.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.337 -6.263 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 17.855 -5.680 -0.855 1.00 0.00 H new ATOM 676 N PHE A 47 17.428 -1.660 -3.230 1.00 0.00 N ATOM 677 CA PHE A 47 17.773 -0.380 -2.622 1.00 0.00 C ATOM 678 C PHE A 47 16.866 -0.082 -1.431 1.00 0.00 C ATOM 679 O PHE A 47 15.715 -0.518 -1.388 1.00 0.00 O ATOM 680 CB PHE A 47 17.664 0.744 -3.654 1.00 0.00 C ATOM 681 CG PHE A 47 18.408 0.462 -4.928 1.00 0.00 C ATOM 682 CD1 PHE A 47 17.944 -0.492 -5.820 1.00 0.00 C ATOM 683 CD2 PHE A 47 19.570 1.152 -5.235 1.00 0.00 C ATOM 684 CE1 PHE A 47 18.627 -0.753 -6.993 1.00 0.00 C ATOM 685 CE2 PHE A 47 20.257 0.895 -6.406 1.00 0.00 C ATOM 686 CZ PHE A 47 19.784 -0.059 -7.287 1.00 0.00 C ATOM 0 H PHE A 47 16.463 -1.953 -3.078 1.00 0.00 H new ATOM 0 HA PHE A 47 18.802 -0.440 -2.267 1.00 0.00 H new ATOM 0 HB2 PHE A 47 16.612 0.912 -3.886 1.00 0.00 H new ATOM 0 HB3 PHE A 47 18.045 1.667 -3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 47 17.039 -1.037 -5.596 1.00 0.00 H new ATOM 0 HD2 PHE A 47 19.943 1.900 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 47 18.256 -1.500 -7.679 1.00 0.00 H new ATOM 0 HE2 PHE A 47 21.162 1.439 -6.632 1.00 0.00 H new ATOM 0 HZ PHE A 47 20.318 -0.261 -8.204 1.00 0.00 H new ATOM 696 N LYS A 48 17.393 0.664 -0.466 1.00 0.00 N ATOM 697 CA LYS A 48 16.634 1.022 0.726 1.00 0.00 C ATOM 698 C LYS A 48 15.675 2.172 0.435 1.00 0.00 C ATOM 699 O LYS A 48 14.529 2.165 0.883 1.00 0.00 O ATOM 700 CB LYS A 48 17.582 1.410 1.862 1.00 0.00 C ATOM 701 CG LYS A 48 16.982 1.225 3.245 1.00 0.00 C ATOM 702 CD LYS A 48 18.048 0.893 4.276 1.00 0.00 C ATOM 703 CE LYS A 48 19.079 2.005 4.389 1.00 0.00 C ATOM 704 NZ LYS A 48 18.486 3.259 4.930 1.00 0.00 N ATOM 0 H LYS A 48 18.344 1.033 -0.486 1.00 0.00 H new ATOM 0 HA LYS A 48 16.050 0.153 1.029 1.00 0.00 H new ATOM 0 HB2 LYS A 48 18.490 0.812 1.786 1.00 0.00 H new ATOM 0 HB3 LYS A 48 17.876 2.453 1.739 1.00 0.00 H new ATOM 0 HG2 LYS A 48 16.460 2.135 3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 48 16.241 0.427 3.217 1.00 0.00 H new ATOM 0 HD2 LYS A 48 17.579 0.730 5.246 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.544 -0.038 4.001 1.00 0.00 H new ATOM 0 HE2 LYS A 48 19.894 1.680 5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 48 19.510 2.201 3.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 19.244 3.941 5.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 17.834 3.666 4.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.965 3.047 5.805 1.00 0.00 H new ATOM 718 N MET A 49 16.151 3.157 -0.320 1.00 0.00 N ATOM 719 CA MET A 49 15.334 4.312 -0.673 1.00 0.00 C ATOM 720 C MET A 49 14.656 4.106 -2.024 1.00 0.00 C ATOM 721 O MET A 49 15.196 3.439 -2.906 1.00 0.00 O ATOM 722 CB MET A 49 16.191 5.579 -0.707 1.00 0.00 C ATOM 723 CG MET A 49 16.868 5.890 0.618 1.00 0.00 C ATOM 724 SD MET A 49 15.723 6.552 1.844 1.00 0.00 S ATOM 725 CE MET A 49 16.762 6.569 3.303 1.00 0.00 C ATOM 0 H MET A 49 17.098 3.178 -0.699 1.00 0.00 H new ATOM 0 HA MET A 49 14.562 4.425 0.088 1.00 0.00 H new ATOM 0 HB2 MET A 49 16.953 5.472 -1.479 1.00 0.00 H new ATOM 0 HB3 MET A 49 15.565 6.424 -0.993 1.00 0.00 H new ATOM 0 HG2 MET A 49 17.328 4.982 1.009 1.00 0.00 H new ATOM 0 HG3 MET A 49 17.671 6.608 0.452 1.00 0.00 H new ATOM 0 HE1 MET A 49 16.138 6.516 4.195 1.00 0.00 H new ATOM 0 HE2 MET A 49 17.436 5.712 3.280 1.00 0.00 H new ATOM 0 HE3 MET A 49 17.346 7.489 3.323 1.00 0.00 H new ATOM 735 N LYS A 50 13.469 4.684 -2.179 1.00 0.00 N ATOM 736 CA LYS A 50 12.717 4.565 -3.423 1.00 0.00 C ATOM 737 C LYS A 50 13.442 5.268 -4.566 1.00 0.00 C ATOM 738 O LYS A 50 13.418 4.805 -5.707 1.00 0.00 O ATOM 739 CB LYS A 50 11.316 5.156 -3.254 1.00 0.00 C ATOM 740 CG LYS A 50 11.316 6.640 -2.931 1.00 0.00 C ATOM 741 CD LYS A 50 11.264 7.485 -4.193 1.00 0.00 C ATOM 742 CE LYS A 50 10.555 8.808 -3.949 1.00 0.00 C ATOM 743 NZ LYS A 50 10.311 9.548 -5.218 1.00 0.00 N ATOM 0 H LYS A 50 13.007 5.239 -1.459 1.00 0.00 H new ATOM 0 HA LYS A 50 12.631 3.506 -3.667 1.00 0.00 H new ATOM 0 HB2 LYS A 50 10.749 4.992 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.798 4.620 -2.459 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.460 6.876 -2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.211 6.889 -2.362 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.277 7.674 -4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.748 6.934 -4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 50 9.605 8.624 -3.447 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.155 9.424 -3.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.826 10.444 -5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 11.219 9.746 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 9.717 8.971 -5.847 1.00 0.00 H new ATOM 757 N HIS A 51 14.087 6.387 -4.253 1.00 0.00 N ATOM 758 CA HIS A 51 14.821 7.152 -5.254 1.00 0.00 C ATOM 759 C HIS A 51 16.123 6.450 -5.628 1.00 0.00 C ATOM 760 O HIS A 51 16.568 6.513 -6.775 1.00 0.00 O ATOM 761 CB HIS A 51 15.118 8.559 -4.735 1.00 0.00 C ATOM 762 CG HIS A 51 15.536 8.591 -3.297 1.00 0.00 C ATOM 763 ND1 HIS A 51 14.698 8.992 -2.279 1.00 0.00 N ATOM 764 CD2 HIS A 51 16.712 8.268 -2.710 1.00 0.00 C ATOM 765 CE1 HIS A 51 15.340 8.915 -1.127 1.00 0.00 C ATOM 766 NE2 HIS A 51 16.564 8.478 -1.361 1.00 0.00 N ATOM 0 H HIS A 51 14.116 6.784 -3.314 1.00 0.00 H new ATOM 0 HA HIS A 51 14.199 7.226 -6.146 1.00 0.00 H new ATOM 0 HB2 HIS A 51 15.906 9.003 -5.344 1.00 0.00 H new ATOM 0 HB3 HIS A 51 14.230 9.179 -4.861 1.00 0.00 H new ATOM 0 HD1 HIS A 51 13.733 9.300 -2.397 1.00 0.00 H new ATOM 0 HD2 HIS A 51 17.601 7.912 -3.209 1.00 0.00 H new ATOM 0 HE1 HIS A 51 14.933 9.167 -0.159 1.00 0.00 H new ATOM 774 N HIS A 52 16.731 5.781 -4.653 1.00 0.00 N ATOM 775 CA HIS A 52 17.982 5.068 -4.880 1.00 0.00 C ATOM 776 C HIS A 52 17.804 3.979 -5.934 1.00 0.00 C ATOM 777 O HIS A 52 18.753 3.608 -6.625 1.00 0.00 O ATOM 778 CB HIS A 52 18.486 4.451 -3.574 1.00 0.00 C ATOM 779 CG HIS A 52 19.144 5.439 -2.661 1.00 0.00 C ATOM 780 ND1 HIS A 52 19.241 5.254 -1.297 1.00 0.00 N ATOM 781 CD2 HIS A 52 19.743 6.624 -2.922 1.00 0.00 C ATOM 782 CE1 HIS A 52 19.869 6.285 -0.760 1.00 0.00 C ATOM 783 NE2 HIS A 52 20.185 7.130 -1.724 1.00 0.00 N ATOM 0 H HIS A 52 16.377 5.718 -3.698 1.00 0.00 H new ATOM 0 HA HIS A 52 18.719 5.784 -5.244 1.00 0.00 H new ATOM 0 HB2 HIS A 52 17.648 3.989 -3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.194 3.656 -3.807 1.00 0.00 H new ATOM 0 HD2 HIS A 52 19.853 7.086 -3.892 1.00 0.00 H new ATOM 0 HE1 HIS A 52 20.087 6.415 0.290 1.00 0.00 H new ATOM 0 HE2 HIS A 52 20.677 8.015 -1.599 1.00 0.00 H new ATOM 791 N LEU A 53 16.582 3.472 -6.052 1.00 0.00 N ATOM 792 CA LEU A 53 16.278 2.425 -7.022 1.00 0.00 C ATOM 793 C LEU A 53 16.004 3.022 -8.399 1.00 0.00 C ATOM 794 O LEU A 53 16.432 2.481 -9.418 1.00 0.00 O ATOM 795 CB LEU A 53 15.072 1.607 -6.559 1.00 0.00 C ATOM 796 CG LEU A 53 14.461 0.665 -7.596 1.00 0.00 C ATOM 797 CD1 LEU A 53 15.416 -0.477 -7.908 1.00 0.00 C ATOM 798 CD2 LEU A 53 13.124 0.127 -7.107 1.00 0.00 C ATOM 0 H LEU A 53 15.785 3.769 -5.488 1.00 0.00 H new ATOM 0 HA LEU A 53 17.146 1.770 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.370 1.017 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 53 14.298 2.297 -6.224 1.00 0.00 H new ATOM 0 HG LEU A 53 14.289 1.228 -8.513 1.00 0.00 H new ATOM 0 HD11 LEU A 53 14.964 -1.137 -8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 53 16.349 -0.074 -8.303 1.00 0.00 H new ATOM 0 HD13 LEU A 53 15.621 -1.039 -6.997 1.00 0.00 H new ATOM 0 HD21 LEU A 53 12.704 -0.542 -7.858 1.00 0.00 H new ATOM 0 HD22 LEU A 53 13.271 -0.420 -6.176 1.00 0.00 H new ATOM 0 HD23 LEU A 53 12.438 0.957 -6.936 1.00 0.00 H new ATOM 810 N VAL A 54 15.288 4.142 -8.421 1.00 0.00 N ATOM 811 CA VAL A 54 14.959 4.814 -9.672 1.00 0.00 C ATOM 812 C VAL A 54 16.212 5.077 -10.500 1.00 0.00 C ATOM 813 O VAL A 54 16.348 4.576 -11.615 1.00 0.00 O ATOM 814 CB VAL A 54 14.235 6.150 -9.418 1.00 0.00 C ATOM 815 CG1 VAL A 54 14.277 7.025 -10.661 1.00 0.00 C ATOM 816 CG2 VAL A 54 12.800 5.903 -8.978 1.00 0.00 C ATOM 0 H VAL A 54 14.925 4.603 -7.587 1.00 0.00 H new ATOM 0 HA VAL A 54 14.295 4.149 -10.224 1.00 0.00 H new ATOM 0 HB VAL A 54 14.751 6.676 -8.615 1.00 0.00 H new ATOM 0 HG11 VAL A 54 13.761 7.964 -10.462 1.00 0.00 H new ATOM 0 HG12 VAL A 54 15.314 7.230 -10.927 1.00 0.00 H new ATOM 0 HG13 VAL A 54 13.786 6.509 -11.486 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.304 6.858 -8.803 1.00 0.00 H new ATOM 0 HG22 VAL A 54 12.270 5.356 -9.757 1.00 0.00 H new ATOM 0 HG23 VAL A 54 12.797 5.318 -8.058 1.00 0.00 H new ATOM 826 N GLY A 55 17.126 5.868 -9.947 1.00 0.00 N ATOM 827 CA GLY A 55 18.356 6.184 -10.648 1.00 0.00 C ATOM 828 C GLY A 55 18.965 4.972 -11.325 1.00 0.00 C ATOM 829 O GLY A 55 19.738 5.105 -12.275 1.00 0.00 O ATOM 0 H GLY A 55 17.036 6.296 -9.025 1.00 0.00 H new ATOM 0 HA2 GLY A 55 18.158 6.952 -11.395 1.00 0.00 H new ATOM 0 HA3 GLY A 55 19.075 6.602 -9.944 1.00 0.00 H new ATOM 833 N HIS A 56 18.619 3.786 -10.835 1.00 0.00 N ATOM 834 CA HIS A 56 19.138 2.545 -11.399 1.00 0.00 C ATOM 835 C HIS A 56 18.170 1.968 -12.426 1.00 0.00 C ATOM 836 O HIS A 56 18.575 1.556 -13.513 1.00 0.00 O ATOM 837 CB HIS A 56 19.392 1.523 -10.290 1.00 0.00 C ATOM 838 CG HIS A 56 19.418 0.107 -10.775 1.00 0.00 C ATOM 839 ND1 HIS A 56 20.561 -0.507 -11.244 1.00 0.00 N ATOM 840 CD2 HIS A 56 18.434 -0.819 -10.861 1.00 0.00 C ATOM 841 CE1 HIS A 56 20.278 -1.747 -11.599 1.00 0.00 C ATOM 842 NE2 HIS A 56 18.994 -1.962 -11.376 1.00 0.00 N ATOM 0 H HIS A 56 17.982 3.658 -10.049 1.00 0.00 H new ATOM 0 HA HIS A 56 20.080 2.769 -11.900 1.00 0.00 H new ATOM 0 HB2 HIS A 56 20.343 1.751 -9.808 1.00 0.00 H new ATOM 0 HB3 HIS A 56 18.617 1.624 -9.530 1.00 0.00 H new ATOM 0 HD1 HIS A 56 21.481 -0.071 -11.307 1.00 0.00 H new ATOM 0 HD2 HIS A 56 17.401 -0.684 -10.577 1.00 0.00 H new ATOM 0 HE1 HIS A 56 20.978 -2.464 -12.003 1.00 0.00 H new ATOM 850 N MET A 57 16.888 1.941 -12.075 1.00 0.00 N ATOM 851 CA MET A 57 15.862 1.415 -12.968 1.00 0.00 C ATOM 852 C MET A 57 15.933 2.088 -14.334 1.00 0.00 C ATOM 853 O MET A 57 15.519 1.516 -15.343 1.00 0.00 O ATOM 854 CB MET A 57 14.473 1.616 -12.358 1.00 0.00 C ATOM 855 CG MET A 57 14.321 1.003 -10.976 1.00 0.00 C ATOM 856 SD MET A 57 13.623 -0.659 -11.026 1.00 0.00 S ATOM 857 CE MET A 57 14.596 -1.395 -12.338 1.00 0.00 C ATOM 0 H MET A 57 16.535 2.277 -11.179 1.00 0.00 H new ATOM 0 HA MET A 57 16.042 0.348 -13.099 1.00 0.00 H new ATOM 0 HB2 MET A 57 14.263 2.684 -12.298 1.00 0.00 H new ATOM 0 HB3 MET A 57 13.727 1.181 -13.023 1.00 0.00 H new ATOM 0 HG2 MET A 57 15.295 0.969 -10.489 1.00 0.00 H new ATOM 0 HG3 MET A 57 13.682 1.643 -10.367 1.00 0.00 H new ATOM 0 HE1 MET A 57 14.246 -2.410 -12.525 1.00 0.00 H new ATOM 0 HE2 MET A 57 14.490 -0.801 -13.246 1.00 0.00 H new ATOM 0 HE3 MET A 57 15.645 -1.422 -12.042 1.00 0.00 H new ATOM 867 N LYS A 58 16.460 3.308 -14.361 1.00 0.00 N ATOM 868 CA LYS A 58 16.587 4.060 -15.604 1.00 0.00 C ATOM 869 C LYS A 58 17.431 3.296 -16.619 1.00 0.00 C ATOM 870 O LYS A 58 17.434 3.620 -17.807 1.00 0.00 O ATOM 871 CB LYS A 58 17.212 5.430 -15.333 1.00 0.00 C ATOM 872 CG LYS A 58 16.360 6.324 -14.448 1.00 0.00 C ATOM 873 CD LYS A 58 17.215 7.272 -13.625 1.00 0.00 C ATOM 874 CE LYS A 58 17.516 8.554 -14.386 1.00 0.00 C ATOM 875 NZ LYS A 58 18.817 9.151 -13.973 1.00 0.00 N ATOM 0 H LYS A 58 16.806 3.797 -13.536 1.00 0.00 H new ATOM 0 HA LYS A 58 15.589 4.198 -16.019 1.00 0.00 H new ATOM 0 HB2 LYS A 58 18.185 5.289 -14.863 1.00 0.00 H new ATOM 0 HB3 LYS A 58 17.387 5.934 -16.283 1.00 0.00 H new ATOM 0 HG2 LYS A 58 15.670 6.899 -15.066 1.00 0.00 H new ATOM 0 HG3 LYS A 58 15.755 5.708 -13.783 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.701 7.512 -12.694 1.00 0.00 H new ATOM 0 HD3 LYS A 58 18.149 6.780 -13.355 1.00 0.00 H new ATOM 0 HE2 LYS A 58 17.535 8.346 -15.456 1.00 0.00 H new ATOM 0 HE3 LYS A 58 16.716 9.274 -14.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 18.986 10.023 -14.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 18.790 9.373 -12.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 19.584 8.474 -14.159 1.00 0.00 H new ATOM 889 N ILE A 59 18.143 2.280 -16.144 1.00 0.00 N ATOM 890 CA ILE A 59 18.988 1.468 -17.011 1.00 0.00 C ATOM 891 C ILE A 59 18.174 0.391 -17.720 1.00 0.00 C ATOM 892 O ILE A 59 18.614 -0.176 -18.721 1.00 0.00 O ATOM 893 CB ILE A 59 20.127 0.798 -16.220 1.00 0.00 C ATOM 894 CG1 ILE A 59 19.621 -0.470 -15.530 1.00 0.00 C ATOM 895 CG2 ILE A 59 20.706 1.768 -15.201 1.00 0.00 C ATOM 896 CD1 ILE A 59 20.726 -1.324 -14.950 1.00 0.00 C ATOM 0 H ILE A 59 18.152 1.999 -15.163 1.00 0.00 H new ATOM 0 HA ILE A 59 19.419 2.141 -17.752 1.00 0.00 H new ATOM 0 HB ILE A 59 20.918 0.519 -16.916 1.00 0.00 H new ATOM 0 HG12 ILE A 59 18.933 -0.190 -14.733 1.00 0.00 H new ATOM 0 HG13 ILE A 59 19.053 -1.063 -16.248 1.00 0.00 H new ATOM 0 HG21 ILE A 59 21.510 1.280 -14.650 1.00 0.00 H new ATOM 0 HG22 ILE A 59 21.099 2.645 -15.716 1.00 0.00 H new ATOM 0 HG23 ILE A 59 19.924 2.075 -14.506 1.00 0.00 H new ATOM 0 HD11 ILE A 59 20.294 -2.206 -14.477 1.00 0.00 H new ATOM 0 HD12 ILE A 59 21.402 -1.634 -15.747 1.00 0.00 H new ATOM 0 HD13 ILE A 59 21.279 -0.748 -14.208 1.00 0.00 H new ATOM 908 N HIS A 60 16.985 0.114 -17.196 1.00 0.00 N ATOM 909 CA HIS A 60 16.107 -0.894 -17.780 1.00 0.00 C ATOM 910 C HIS A 60 14.907 -0.242 -18.460 1.00 0.00 C ATOM 911 O HIS A 60 14.543 -0.601 -19.580 1.00 0.00 O ATOM 912 CB HIS A 60 15.631 -1.871 -16.704 1.00 0.00 C ATOM 913 CG HIS A 60 16.748 -2.551 -15.975 1.00 0.00 C ATOM 914 ND1 HIS A 60 17.695 -3.330 -16.606 1.00 0.00 N ATOM 915 CD2 HIS A 60 17.068 -2.564 -14.660 1.00 0.00 C ATOM 916 CE1 HIS A 60 18.548 -3.794 -15.711 1.00 0.00 C ATOM 917 NE2 HIS A 60 18.190 -3.343 -14.522 1.00 0.00 N ATOM 0 H HIS A 60 16.607 0.573 -16.368 1.00 0.00 H new ATOM 0 HA HIS A 60 16.674 -1.442 -18.532 1.00 0.00 H new ATOM 0 HB2 HIS A 60 15.013 -1.333 -15.985 1.00 0.00 H new ATOM 0 HB3 HIS A 60 14.997 -2.627 -17.167 1.00 0.00 H new ATOM 0 HD1 HIS A 60 17.731 -3.518 -17.608 1.00 0.00 H new ATOM 0 HD2 HIS A 60 16.539 -2.056 -13.867 1.00 0.00 H new ATOM 0 HE1 HIS A 60 19.394 -4.433 -15.916 1.00 0.00 H new ATOM 1001 N TYR A 66 4.246 7.631 -24.504 1.00 0.00 N ATOM 1002 CA TYR A 66 3.023 8.233 -23.986 1.00 0.00 C ATOM 1003 C TYR A 66 3.329 9.169 -22.821 1.00 0.00 C ATOM 1004 O TYR A 66 4.227 8.909 -22.021 1.00 0.00 O ATOM 1005 CB TYR A 66 2.044 7.146 -23.538 1.00 0.00 C ATOM 1006 CG TYR A 66 1.927 5.998 -24.515 1.00 0.00 C ATOM 1007 CD1 TYR A 66 1.095 6.085 -25.624 1.00 0.00 C ATOM 1008 CD2 TYR A 66 2.649 4.825 -24.328 1.00 0.00 C ATOM 1009 CE1 TYR A 66 0.984 5.038 -26.518 1.00 0.00 C ATOM 1010 CE2 TYR A 66 2.545 3.773 -25.218 1.00 0.00 C ATOM 1011 CZ TYR A 66 1.711 3.885 -26.311 1.00 0.00 C ATOM 1012 OH TYR A 66 1.604 2.840 -27.200 1.00 0.00 O ATOM 0 HA TYR A 66 2.567 8.815 -24.787 1.00 0.00 H new ATOM 0 HB2 TYR A 66 2.363 6.758 -22.571 1.00 0.00 H new ATOM 0 HB3 TYR A 66 1.060 7.592 -23.394 1.00 0.00 H new ATOM 0 HD1 TYR A 66 0.525 6.987 -25.790 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.302 4.734 -23.473 1.00 0.00 H new ATOM 0 HE1 TYR A 66 0.331 5.122 -27.374 1.00 0.00 H new ATOM 0 HE2 TYR A 66 3.113 2.869 -25.059 1.00 0.00 H new ATOM 0 HH TYR A 66 2.182 2.104 -26.910 1.00 0.00 H new ATOM 1022 N GLU A 67 2.573 10.260 -22.733 1.00 0.00 N ATOM 1023 CA GLU A 67 2.763 11.236 -21.666 1.00 0.00 C ATOM 1024 C GLU A 67 1.491 12.048 -21.439 1.00 0.00 C ATOM 1025 O GLU A 67 0.823 12.455 -22.390 1.00 0.00 O ATOM 1026 CB GLU A 67 3.926 12.172 -22.001 1.00 0.00 C ATOM 1027 CG GLU A 67 4.005 13.391 -21.099 1.00 0.00 C ATOM 1028 CD GLU A 67 4.561 14.609 -21.811 1.00 0.00 C ATOM 1029 OE1 GLU A 67 3.806 15.244 -22.576 1.00 0.00 O ATOM 1030 OE2 GLU A 67 5.751 14.926 -21.603 1.00 0.00 O ATOM 0 H GLU A 67 1.825 10.490 -23.387 1.00 0.00 H new ATOM 0 HA GLU A 67 2.996 10.694 -20.750 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.861 11.616 -21.929 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.830 12.502 -23.036 1.00 0.00 H new ATOM 0 HG2 GLU A 67 3.010 13.621 -20.717 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.632 13.161 -20.238 1.00 0.00 H new ATOM 1037 N CYS A 68 1.161 12.279 -20.173 1.00 0.00 N ATOM 1038 CA CYS A 68 -0.030 13.041 -19.819 1.00 0.00 C ATOM 1039 C CYS A 68 0.072 14.476 -20.326 1.00 0.00 C ATOM 1040 O CYS A 68 1.111 14.893 -20.836 1.00 0.00 O ATOM 1041 CB CYS A 68 -0.231 13.037 -18.302 1.00 0.00 C ATOM 1042 SG CYS A 68 -1.971 13.184 -17.783 1.00 0.00 S ATOM 0 H CYS A 68 1.703 11.949 -19.374 1.00 0.00 H new ATOM 0 HA CYS A 68 -0.889 12.567 -20.294 1.00 0.00 H new ATOM 0 HB2 CYS A 68 0.182 12.115 -17.894 1.00 0.00 H new ATOM 0 HB3 CYS A 68 0.337 13.860 -17.869 1.00 0.00 H new ATOM 0 HG CYS A 68 -2.023 13.536 -16.533 1.00 0.00 H new ATOM 1047 N ASN A 69 -1.015 15.228 -20.181 1.00 0.00 N ATOM 1048 CA ASN A 69 -1.048 16.617 -20.624 1.00 0.00 C ATOM 1049 C ASN A 69 -1.086 17.568 -19.432 1.00 0.00 C ATOM 1050 O ASN A 69 -0.509 18.655 -19.473 1.00 0.00 O ATOM 1051 CB ASN A 69 -2.263 16.858 -21.522 1.00 0.00 C ATOM 1052 CG ASN A 69 -2.731 18.300 -21.487 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -1.933 19.227 -21.622 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -4.032 18.495 -21.303 1.00 0.00 N ATOM 0 H ASN A 69 -1.884 14.899 -19.760 1.00 0.00 H new ATOM 0 HA ASN A 69 -0.139 16.813 -21.193 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -2.013 16.585 -22.547 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -3.078 16.207 -21.208 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -4.406 19.443 -21.269 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -4.657 17.696 -21.196 1.00 0.00 H new ATOM 1061 N ILE A 70 -1.769 17.151 -18.371 1.00 0.00 N ATOM 1062 CA ILE A 70 -1.881 17.964 -17.167 1.00 0.00 C ATOM 1063 C ILE A 70 -0.616 17.870 -16.321 1.00 0.00 C ATOM 1064 O ILE A 70 0.046 18.875 -16.060 1.00 0.00 O ATOM 1065 CB ILE A 70 -3.090 17.541 -16.312 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -4.395 17.835 -17.053 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -3.065 18.255 -14.969 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -4.910 16.663 -17.859 1.00 0.00 C ATOM 0 H ILE A 70 -2.253 16.255 -18.321 1.00 0.00 H new ATOM 0 HA ILE A 70 -2.021 18.994 -17.494 1.00 0.00 H new ATOM 0 HB ILE A 70 -3.031 16.468 -16.132 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -5.155 18.130 -16.330 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -4.242 18.684 -17.719 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.926 17.946 -14.376 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -2.148 17.999 -14.438 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -3.103 19.333 -15.129 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -5.838 16.944 -18.357 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -4.168 16.381 -18.606 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -5.096 15.819 -17.195 1.00 0.00 H new ATOM 1080 N CYS A 71 -0.284 16.656 -15.895 1.00 0.00 N ATOM 1081 CA CYS A 71 0.902 16.429 -15.079 1.00 0.00 C ATOM 1082 C CYS A 71 2.106 16.088 -15.953 1.00 0.00 C ATOM 1083 O CYS A 71 3.240 16.049 -15.477 1.00 0.00 O ATOM 1084 CB CYS A 71 0.650 15.301 -14.077 1.00 0.00 C ATOM 1085 SG CYS A 71 0.258 13.697 -14.847 1.00 0.00 S ATOM 0 H CYS A 71 -0.821 15.814 -16.102 1.00 0.00 H new ATOM 0 HA CYS A 71 1.119 17.348 -14.534 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.533 15.184 -13.448 1.00 0.00 H new ATOM 0 HB3 CYS A 71 -0.172 15.588 -13.422 1.00 0.00 H new ATOM 0 HG CYS A 71 -1.026 13.499 -14.807 1.00 0.00 H new ATOM 1090 N ALA A 72 1.850 15.842 -17.234 1.00 0.00 N ATOM 1091 CA ALA A 72 2.911 15.506 -18.174 1.00 0.00 C ATOM 1092 C ALA A 72 3.621 14.220 -17.766 1.00 0.00 C ATOM 1093 O ALA A 72 4.799 14.026 -18.065 1.00 0.00 O ATOM 1094 CB ALA A 72 3.908 16.651 -18.276 1.00 0.00 C ATOM 0 H ALA A 72 0.916 15.869 -17.644 1.00 0.00 H new ATOM 0 HA ALA A 72 2.457 15.345 -19.152 1.00 0.00 H new ATOM 0 HB1 ALA A 72 4.695 16.386 -18.982 1.00 0.00 H new ATOM 0 HB2 ALA A 72 3.397 17.549 -18.623 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.347 16.839 -17.296 1.00 0.00 H new ATOM 1100 N LYS A 73 2.896 13.342 -17.080 1.00 0.00 N ATOM 1101 CA LYS A 73 3.455 12.073 -16.631 1.00 0.00 C ATOM 1102 C LYS A 73 4.011 11.276 -17.807 1.00 0.00 C ATOM 1103 O LYS A 73 3.792 11.628 -18.966 1.00 0.00 O ATOM 1104 CB LYS A 73 2.388 11.252 -15.903 1.00 0.00 C ATOM 1105 CG LYS A 73 2.385 11.457 -14.398 1.00 0.00 C ATOM 1106 CD LYS A 73 3.270 10.441 -13.695 1.00 0.00 C ATOM 1107 CE LYS A 73 4.710 10.924 -13.605 1.00 0.00 C ATOM 1108 NZ LYS A 73 5.473 10.200 -12.551 1.00 0.00 N ATOM 0 H LYS A 73 1.920 13.487 -16.823 1.00 0.00 H new ATOM 0 HA LYS A 73 4.272 12.288 -15.943 1.00 0.00 H new ATOM 0 HB2 LYS A 73 1.407 11.514 -16.299 1.00 0.00 H new ATOM 0 HB3 LYS A 73 2.546 10.195 -16.117 1.00 0.00 H new ATOM 0 HG2 LYS A 73 2.731 12.464 -14.166 1.00 0.00 H new ATOM 0 HG3 LYS A 73 1.366 11.376 -14.021 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.885 10.253 -12.693 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.236 9.493 -14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.200 10.785 -14.568 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.722 11.993 -13.392 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 6.449 10.558 -12.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.020 10.353 -11.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.484 9.183 -12.767 1.00 0.00 H new ATOM 1122 N ARG A 74 4.728 10.200 -17.500 1.00 0.00 N ATOM 1123 CA ARG A 74 5.314 9.353 -18.532 1.00 0.00 C ATOM 1124 C ARG A 74 4.890 7.899 -18.348 1.00 0.00 C ATOM 1125 O ARG A 74 4.963 7.355 -17.245 1.00 0.00 O ATOM 1126 CB ARG A 74 6.840 9.458 -18.502 1.00 0.00 C ATOM 1127 CG ARG A 74 7.367 10.800 -18.983 1.00 0.00 C ATOM 1128 CD ARG A 74 8.887 10.819 -19.025 1.00 0.00 C ATOM 1129 NE ARG A 74 9.408 12.121 -19.431 1.00 0.00 N ATOM 1130 CZ ARG A 74 10.656 12.319 -19.841 1.00 0.00 C ATOM 1131 NH1 ARG A 74 11.506 11.303 -19.900 1.00 0.00 N ATOM 1132 NH2 ARG A 74 11.055 13.534 -20.194 1.00 0.00 N ATOM 0 H ARG A 74 4.917 9.894 -16.545 1.00 0.00 H new ATOM 0 HA ARG A 74 4.951 9.699 -19.500 1.00 0.00 H new ATOM 0 HB2 ARG A 74 7.188 9.284 -17.484 1.00 0.00 H new ATOM 0 HB3 ARG A 74 7.263 8.668 -19.122 1.00 0.00 H new ATOM 0 HG2 ARG A 74 6.972 11.012 -19.976 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.010 11.590 -18.322 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.280 10.562 -18.041 1.00 0.00 H new ATOM 0 HD3 ARG A 74 9.240 10.055 -19.718 1.00 0.00 H new ATOM 0 HE ARG A 74 8.779 12.923 -19.398 1.00 0.00 H new ATOM 0 HH11 ARG A 74 11.202 10.367 -19.630 1.00 0.00 H new ATOM 0 HH12 ARG A 74 12.464 11.457 -20.215 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.403 14.317 -20.151 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.013 13.685 -20.509 1.00 0.00 H new ATOM 1146 N PHE A 75 4.446 7.275 -19.434 1.00 0.00 N ATOM 1147 CA PHE A 75 4.009 5.884 -19.392 1.00 0.00 C ATOM 1148 C PHE A 75 4.535 5.112 -20.598 1.00 0.00 C ATOM 1149 O PHE A 75 4.757 5.684 -21.665 1.00 0.00 O ATOM 1150 CB PHE A 75 2.481 5.809 -19.350 1.00 0.00 C ATOM 1151 CG PHE A 75 1.876 6.548 -18.191 1.00 0.00 C ATOM 1152 CD1 PHE A 75 1.698 5.920 -16.969 1.00 0.00 C ATOM 1153 CD2 PHE A 75 1.485 7.871 -18.324 1.00 0.00 C ATOM 1154 CE1 PHE A 75 1.141 6.598 -15.901 1.00 0.00 C ATOM 1155 CE2 PHE A 75 0.927 8.553 -17.259 1.00 0.00 C ATOM 1156 CZ PHE A 75 0.756 7.916 -16.046 1.00 0.00 C ATOM 0 H PHE A 75 4.379 7.710 -20.354 1.00 0.00 H new ATOM 0 HA PHE A 75 4.413 5.429 -18.488 1.00 0.00 H new ATOM 0 HB2 PHE A 75 2.080 6.215 -20.279 1.00 0.00 H new ATOM 0 HB3 PHE A 75 2.178 4.763 -19.302 1.00 0.00 H new ATOM 0 HD1 PHE A 75 1.998 4.889 -16.850 1.00 0.00 H new ATOM 0 HD2 PHE A 75 1.618 8.375 -19.270 1.00 0.00 H new ATOM 0 HE1 PHE A 75 1.007 6.097 -14.954 1.00 0.00 H new ATOM 0 HE2 PHE A 75 0.625 9.583 -17.376 1.00 0.00 H new ATOM 0 HZ PHE A 75 0.322 8.448 -15.212 1.00 0.00 H new ATOM 1166 N MET A 76 4.732 3.810 -20.420 1.00 0.00 N ATOM 1167 CA MET A 76 5.231 2.959 -21.493 1.00 0.00 C ATOM 1168 C MET A 76 4.086 2.217 -22.176 1.00 0.00 C ATOM 1169 O MET A 76 4.151 1.919 -23.369 1.00 0.00 O ATOM 1170 CB MET A 76 6.250 1.957 -20.947 1.00 0.00 C ATOM 1171 CG MET A 76 6.641 0.881 -21.947 1.00 0.00 C ATOM 1172 SD MET A 76 8.142 0.002 -21.471 1.00 0.00 S ATOM 1173 CE MET A 76 7.459 -1.314 -20.467 1.00 0.00 C ATOM 0 H MET A 76 4.554 3.321 -19.543 1.00 0.00 H new ATOM 0 HA MET A 76 5.719 3.596 -22.231 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.146 2.495 -20.636 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.839 1.482 -20.057 1.00 0.00 H new ATOM 0 HG2 MET A 76 5.823 0.168 -22.046 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.787 1.337 -22.927 1.00 0.00 H new ATOM 0 HE1 MET A 76 8.266 -1.946 -20.098 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.919 -0.885 -19.623 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.775 -1.913 -21.068 1.00 0.00 H new ATOM 1183 N TRP A 77 3.040 1.922 -21.412 1.00 0.00 N ATOM 1184 CA TRP A 77 1.882 1.214 -21.945 1.00 0.00 C ATOM 1185 C TRP A 77 0.827 2.195 -22.445 1.00 0.00 C ATOM 1186 O TRP A 77 0.712 3.310 -21.936 1.00 0.00 O ATOM 1187 CB TRP A 77 1.280 0.301 -20.874 1.00 0.00 C ATOM 1188 CG TRP A 77 2.285 -0.609 -20.237 1.00 0.00 C ATOM 1189 CD1 TRP A 77 3.081 -0.328 -19.163 1.00 0.00 C ATOM 1190 CD2 TRP A 77 2.603 -1.948 -20.634 1.00 0.00 C ATOM 1191 NE1 TRP A 77 3.874 -1.411 -18.870 1.00 0.00 N ATOM 1192 CE2 TRP A 77 3.599 -2.417 -19.757 1.00 0.00 C ATOM 1193 CE3 TRP A 77 2.141 -2.796 -21.644 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 4.141 -3.696 -19.862 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 2.679 -4.064 -21.748 1.00 0.00 C ATOM 1196 CH2 TRP A 77 3.670 -4.505 -20.860 1.00 0.00 C ATOM 0 H TRP A 77 2.970 2.162 -20.423 1.00 0.00 H new ATOM 0 HA TRP A 77 2.214 0.606 -22.787 1.00 0.00 H new ATOM 0 HB2 TRP A 77 0.816 0.915 -20.102 1.00 0.00 H new ATOM 0 HB3 TRP A 77 0.489 -0.300 -21.322 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.086 0.608 -18.624 1.00 0.00 H new ATOM 0 HE1 TRP A 77 4.557 -1.458 -18.114 1.00 0.00 H new ATOM 0 HE3 TRP A 77 1.376 -2.466 -22.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 4.906 -4.037 -19.180 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.330 -4.727 -22.526 1.00 0.00 H new ATOM 0 HH2 TRP A 77 4.070 -5.503 -20.966 1.00 0.00 H new ATOM 1207 N ARG A 78 0.060 1.773 -23.445 1.00 0.00 N ATOM 1208 CA ARG A 78 -0.985 2.616 -24.014 1.00 0.00 C ATOM 1209 C ARG A 78 -2.213 2.646 -23.109 1.00 0.00 C ATOM 1210 O ARG A 78 -2.698 3.716 -22.740 1.00 0.00 O ATOM 1211 CB ARG A 78 -1.376 2.111 -25.404 1.00 0.00 C ATOM 1212 CG ARG A 78 -2.442 2.956 -26.081 1.00 0.00 C ATOM 1213 CD ARG A 78 -1.828 3.978 -27.025 1.00 0.00 C ATOM 1214 NE ARG A 78 -2.816 4.540 -27.942 1.00 0.00 N ATOM 1215 CZ ARG A 78 -2.514 5.025 -29.141 1.00 0.00 C ATOM 1216 NH1 ARG A 78 -1.259 5.016 -29.567 1.00 0.00 N ATOM 1217 NH2 ARG A 78 -3.470 5.519 -29.918 1.00 0.00 N ATOM 0 H ARG A 78 0.142 0.853 -23.878 1.00 0.00 H new ATOM 0 HA ARG A 78 -0.593 3.629 -24.099 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -0.488 2.087 -26.036 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.736 1.085 -25.321 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.122 2.309 -26.636 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.036 3.469 -25.324 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -1.375 4.781 -26.444 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -1.028 3.508 -27.597 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.792 4.561 -27.645 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.522 4.636 -28.974 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -1.030 5.389 -30.488 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -4.437 5.526 -29.594 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.237 5.891 -30.839 1.00 0.00 H new ATOM 1231 N ASP A 79 -2.710 1.466 -22.755 1.00 0.00 N ATOM 1232 CA ASP A 79 -3.881 1.357 -21.893 1.00 0.00 C ATOM 1233 C ASP A 79 -3.711 2.205 -20.636 1.00 0.00 C ATOM 1234 O ASP A 79 -4.610 2.952 -20.252 1.00 0.00 O ATOM 1235 CB ASP A 79 -4.124 -0.103 -21.509 1.00 0.00 C ATOM 1236 CG ASP A 79 -2.869 -0.785 -21.000 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -2.108 -1.321 -21.832 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -2.650 -0.783 -19.771 1.00 0.00 O ATOM 0 H ASP A 79 -2.320 0.571 -23.052 1.00 0.00 H new ATOM 0 HA ASP A 79 -4.744 1.728 -22.446 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -4.896 -0.150 -20.741 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -4.503 -0.645 -22.375 1.00 0.00 H new ATOM 1243 N SER A 80 -2.551 2.081 -19.998 1.00 0.00 N ATOM 1244 CA SER A 80 -2.264 2.832 -18.781 1.00 0.00 C ATOM 1245 C SER A 80 -2.248 4.332 -19.059 1.00 0.00 C ATOM 1246 O SER A 80 -2.859 5.116 -18.333 1.00 0.00 O ATOM 1247 CB SER A 80 -0.921 2.396 -18.192 1.00 0.00 C ATOM 1248 OG SER A 80 -1.058 1.203 -17.439 1.00 0.00 O ATOM 0 H SER A 80 -1.795 1.468 -20.304 1.00 0.00 H new ATOM 0 HA SER A 80 -3.054 2.623 -18.060 1.00 0.00 H new ATOM 0 HB2 SER A 80 -0.201 2.242 -18.995 1.00 0.00 H new ATOM 0 HB3 SER A 80 -0.525 3.188 -17.556 1.00 0.00 H new ATOM 0 HG SER A 80 -0.186 0.944 -17.075 1.00 0.00 H new ATOM 1254 N PHE A 81 -1.544 4.723 -20.116 1.00 0.00 N ATOM 1255 CA PHE A 81 -1.445 6.129 -20.491 1.00 0.00 C ATOM 1256 C PHE A 81 -2.824 6.783 -20.516 1.00 0.00 C ATOM 1257 O PHE A 81 -3.048 7.811 -19.876 1.00 0.00 O ATOM 1258 CB PHE A 81 -0.778 6.268 -21.861 1.00 0.00 C ATOM 1259 CG PHE A 81 -1.220 7.484 -22.623 1.00 0.00 C ATOM 1260 CD1 PHE A 81 -0.928 8.755 -22.156 1.00 0.00 C ATOM 1261 CD2 PHE A 81 -1.929 7.356 -23.806 1.00 0.00 C ATOM 1262 CE1 PHE A 81 -1.334 9.876 -22.855 1.00 0.00 C ATOM 1263 CE2 PHE A 81 -2.337 8.473 -24.510 1.00 0.00 C ATOM 1264 CZ PHE A 81 -2.041 9.735 -24.033 1.00 0.00 C ATOM 0 H PHE A 81 -1.034 4.086 -20.728 1.00 0.00 H new ATOM 0 HA PHE A 81 -0.834 6.636 -19.744 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.303 6.306 -21.727 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -0.995 5.379 -22.454 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -0.377 8.871 -21.235 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -2.166 6.372 -24.183 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.099 10.861 -22.480 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -2.887 8.359 -25.433 1.00 0.00 H new ATOM 0 HZ PHE A 81 -2.362 10.609 -24.580 1.00 0.00 H new ATOM 1274 N HIS A 82 -3.745 6.179 -21.260 1.00 0.00 N ATOM 1275 CA HIS A 82 -5.103 6.702 -21.369 1.00 0.00 C ATOM 1276 C HIS A 82 -5.882 6.464 -20.079 1.00 0.00 C ATOM 1277 O HIS A 82 -6.645 7.323 -19.637 1.00 0.00 O ATOM 1278 CB HIS A 82 -5.830 6.049 -22.546 1.00 0.00 C ATOM 1279 CG HIS A 82 -5.645 6.777 -23.842 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -5.082 6.194 -24.958 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -5.954 8.046 -24.197 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -5.051 7.074 -25.942 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -5.575 8.206 -25.507 1.00 0.00 N ATOM 0 H HIS A 82 -3.576 5.328 -21.796 1.00 0.00 H new ATOM 0 HA HIS A 82 -5.040 7.776 -21.541 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -5.474 5.025 -22.660 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.895 5.993 -22.319 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.413 8.794 -23.567 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -4.663 6.898 -26.934 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -5.681 9.060 -26.055 1.00 0.00 H new ATOM 1291 N ARG A 83 -5.685 5.294 -19.482 1.00 0.00 N ATOM 1292 CA ARG A 83 -6.370 4.943 -18.244 1.00 0.00 C ATOM 1293 C ARG A 83 -6.124 5.997 -17.168 1.00 0.00 C ATOM 1294 O ARG A 83 -7.032 6.359 -16.419 1.00 0.00 O ATOM 1295 CB ARG A 83 -5.903 3.574 -17.747 1.00 0.00 C ATOM 1296 CG ARG A 83 -6.387 3.236 -16.347 1.00 0.00 C ATOM 1297 CD ARG A 83 -5.845 1.895 -15.878 1.00 0.00 C ATOM 1298 NE ARG A 83 -5.842 1.784 -14.422 1.00 0.00 N ATOM 1299 CZ ARG A 83 -4.924 2.346 -13.644 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -3.940 3.055 -14.180 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -4.989 2.200 -12.326 1.00 0.00 N ATOM 0 H ARG A 83 -5.056 4.573 -19.835 1.00 0.00 H new ATOM 0 HA ARG A 83 -7.439 4.902 -18.450 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.253 2.807 -18.438 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.814 3.544 -17.763 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.075 4.018 -15.655 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -7.477 3.214 -16.333 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.449 1.092 -16.301 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -4.830 1.763 -16.254 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.586 1.245 -13.978 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.887 3.170 -15.192 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.236 3.486 -13.580 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -5.745 1.656 -11.910 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.283 2.632 -11.730 1.00 0.00 H new ATOM 1315 N HIS A 84 -4.890 6.487 -17.098 1.00 0.00 N ATOM 1316 CA HIS A 84 -4.525 7.500 -16.114 1.00 0.00 C ATOM 1317 C HIS A 84 -5.015 8.879 -16.546 1.00 0.00 C ATOM 1318 O HIS A 84 -5.746 9.546 -15.815 1.00 0.00 O ATOM 1319 CB HIS A 84 -3.009 7.524 -15.915 1.00 0.00 C ATOM 1320 CG HIS A 84 -2.492 8.837 -15.415 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -1.995 9.014 -14.140 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -2.393 10.041 -16.025 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -1.616 10.271 -13.988 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -1.846 10.915 -15.118 1.00 0.00 N ATOM 0 H HIS A 84 -4.127 6.199 -17.710 1.00 0.00 H new ATOM 0 HA HIS A 84 -5.004 7.243 -15.169 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -2.731 6.741 -15.210 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -2.523 7.288 -16.861 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.930 8.288 -13.426 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -2.689 10.272 -17.038 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.191 10.699 -13.092 1.00 0.00 H new ATOM 1332 N VAL A 85 -4.607 9.299 -17.740 1.00 0.00 N ATOM 1333 CA VAL A 85 -5.005 10.598 -18.269 1.00 0.00 C ATOM 1334 C VAL A 85 -6.511 10.801 -18.153 1.00 0.00 C ATOM 1335 O VAL A 85 -6.975 11.820 -17.640 1.00 0.00 O ATOM 1336 CB VAL A 85 -4.590 10.754 -19.744 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -4.917 12.152 -20.247 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -3.109 10.450 -19.915 1.00 0.00 C ATOM 0 H VAL A 85 -4.002 8.759 -18.358 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.493 11.353 -17.673 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.156 10.038 -20.340 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -4.616 12.243 -21.291 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.989 12.328 -20.162 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.380 12.889 -19.649 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -2.833 10.565 -20.963 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.523 11.140 -19.307 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.909 9.427 -19.597 1.00 0.00 H new ATOM 1348 N THR A 86 -7.274 9.823 -18.633 1.00 0.00 N ATOM 1349 CA THR A 86 -8.729 9.894 -18.583 1.00 0.00 C ATOM 1350 C THR A 86 -9.210 10.374 -17.219 1.00 0.00 C ATOM 1351 O THR A 86 -10.263 11.001 -17.107 1.00 0.00 O ATOM 1352 CB THR A 86 -9.368 8.526 -18.889 1.00 0.00 C ATOM 1353 OG1 THR A 86 -10.664 8.711 -19.470 1.00 0.00 O ATOM 1354 CG2 THR A 86 -9.488 7.691 -17.624 1.00 0.00 C ATOM 0 H THR A 86 -6.908 8.972 -19.061 1.00 0.00 H new ATOM 0 HA THR A 86 -9.037 10.610 -19.345 1.00 0.00 H new ATOM 0 HB THR A 86 -8.726 7.998 -19.594 1.00 0.00 H new ATOM 0 HG1 THR A 86 -11.064 7.837 -19.663 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.942 6.730 -17.864 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.497 7.529 -17.200 1.00 0.00 H new ATOM 0 HG23 THR A 86 -10.111 8.215 -16.900 1.00 0.00 H new ATOM 1362 N SER A 87 -8.431 10.076 -16.184 1.00 0.00 N ATOM 1363 CA SER A 87 -8.780 10.475 -14.825 1.00 0.00 C ATOM 1364 C SER A 87 -8.037 11.745 -14.424 1.00 0.00 C ATOM 1365 O SER A 87 -8.540 12.553 -13.643 1.00 0.00 O ATOM 1366 CB SER A 87 -8.457 9.349 -13.841 1.00 0.00 C ATOM 1367 OG SER A 87 -9.445 8.334 -13.885 1.00 0.00 O ATOM 0 H SER A 87 -7.554 9.560 -16.260 1.00 0.00 H new ATOM 0 HA SER A 87 -9.851 10.677 -14.796 1.00 0.00 H new ATOM 0 HB2 SER A 87 -7.482 8.923 -14.079 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.391 9.753 -12.831 1.00 0.00 H new ATOM 0 HG SER A 87 -9.215 7.625 -13.248 1.00 0.00 H new ATOM 1373 N CYS A 88 -6.834 11.915 -14.964 1.00 0.00 N ATOM 1374 CA CYS A 88 -6.019 13.085 -14.663 1.00 0.00 C ATOM 1375 C CYS A 88 -6.670 14.355 -15.204 1.00 0.00 C ATOM 1376 O CYS A 88 -6.251 15.467 -14.882 1.00 0.00 O ATOM 1377 CB CYS A 88 -4.619 12.924 -15.259 1.00 0.00 C ATOM 1378 SG CYS A 88 -3.363 14.010 -14.510 1.00 0.00 S ATOM 0 H CYS A 88 -6.403 11.256 -15.613 1.00 0.00 H new ATOM 0 HA CYS A 88 -5.938 13.172 -13.579 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -4.303 11.887 -15.143 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -4.666 13.125 -16.329 1.00 0.00 H new ATOM 0 HG CYS A 88 -3.885 15.176 -14.271 1.00 0.00 H new ATOM 1383 N THR A 89 -7.699 14.181 -16.028 1.00 0.00 N ATOM 1384 CA THR A 89 -8.408 15.312 -16.615 1.00 0.00 C ATOM 1385 C THR A 89 -9.511 15.809 -15.688 1.00 0.00 C ATOM 1386 O THR A 89 -9.600 17.002 -15.395 1.00 0.00 O ATOM 1387 CB THR A 89 -9.025 14.942 -17.977 1.00 0.00 C ATOM 1388 OG1 THR A 89 -8.051 14.281 -18.793 1.00 0.00 O ATOM 1389 CG2 THR A 89 -9.536 16.183 -18.693 1.00 0.00 C ATOM 0 H THR A 89 -8.060 13.268 -16.304 1.00 0.00 H new ATOM 0 HA THR A 89 -7.674 16.105 -16.760 1.00 0.00 H new ATOM 0 HB THR A 89 -9.866 14.271 -17.801 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.834 13.409 -18.402 1.00 0.00 H new ATOM 0 HG21 THR A 89 -9.967 15.898 -19.652 1.00 0.00 H new ATOM 0 HG22 THR A 89 -10.298 16.668 -18.082 1.00 0.00 H new ATOM 0 HG23 THR A 89 -8.709 16.874 -18.858 1.00 0.00 H new ATOM 1397 N LYS A 90 -10.350 14.888 -15.227 1.00 0.00 N ATOM 1398 CA LYS A 90 -11.448 15.232 -14.331 1.00 0.00 C ATOM 1399 C LYS A 90 -10.982 16.197 -13.245 1.00 0.00 C ATOM 1400 O LYS A 90 -11.636 17.204 -12.974 1.00 0.00 O ATOM 1401 CB LYS A 90 -12.027 13.968 -13.691 1.00 0.00 C ATOM 1402 CG LYS A 90 -13.038 13.251 -14.568 1.00 0.00 C ATOM 1403 CD LYS A 90 -12.366 12.242 -15.484 1.00 0.00 C ATOM 1404 CE LYS A 90 -13.389 11.430 -16.264 1.00 0.00 C ATOM 1405 NZ LYS A 90 -13.779 12.102 -17.534 1.00 0.00 N ATOM 0 H LYS A 90 -10.291 13.897 -15.459 1.00 0.00 H new ATOM 0 HA LYS A 90 -12.224 15.722 -14.919 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -11.212 13.283 -13.457 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.502 14.234 -12.746 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -13.770 12.743 -13.940 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -13.584 13.980 -15.167 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.707 12.762 -16.179 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -11.742 11.572 -14.893 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.978 10.445 -16.486 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -14.275 11.275 -15.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.477 11.517 -18.036 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -14.195 13.031 -17.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.938 12.228 -18.133 1.00 0.00 H new ATOM 1419 N SER A 91 -9.847 15.883 -12.629 1.00 0.00 N ATOM 1420 CA SER A 91 -9.294 16.721 -11.571 1.00 0.00 C ATOM 1421 C SER A 91 -9.010 18.128 -12.085 1.00 0.00 C ATOM 1422 O SER A 91 -9.241 19.115 -11.387 1.00 0.00 O ATOM 1423 CB SER A 91 -8.011 16.099 -11.016 1.00 0.00 C ATOM 1424 OG SER A 91 -8.300 15.147 -10.007 1.00 0.00 O ATOM 0 H SER A 91 -9.292 15.055 -12.844 1.00 0.00 H new ATOM 0 HA SER A 91 -10.032 16.788 -10.771 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.456 15.621 -11.823 1.00 0.00 H new ATOM 0 HB3 SER A 91 -7.370 16.881 -10.609 1.00 0.00 H new ATOM 0 HG SER A 91 -7.464 14.763 -9.670 1.00 0.00 H new ATOM 1430 N TYR A 92 -8.507 18.212 -13.312 1.00 0.00 N ATOM 1431 CA TYR A 92 -8.188 19.498 -13.921 1.00 0.00 C ATOM 1432 C TYR A 92 -9.455 20.306 -14.182 1.00 0.00 C ATOM 1433 O TYR A 92 -9.631 21.396 -13.639 1.00 0.00 O ATOM 1434 CB TYR A 92 -7.423 19.291 -15.229 1.00 0.00 C ATOM 1435 CG TYR A 92 -6.885 20.572 -15.826 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -7.731 21.475 -16.457 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -5.532 20.878 -15.759 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -7.245 22.647 -17.005 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -5.037 22.048 -16.302 1.00 0.00 C ATOM 1440 CZ TYR A 92 -5.897 22.929 -16.924 1.00 0.00 C ATOM 1441 OH TYR A 92 -5.407 24.094 -17.467 1.00 0.00 O ATOM 0 H TYR A 92 -8.311 17.405 -13.904 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.560 20.055 -13.225 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.593 18.607 -15.050 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -8.081 18.811 -15.953 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.787 21.257 -16.521 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.855 20.190 -15.274 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.916 23.338 -17.494 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -3.982 22.272 -16.240 1.00 0.00 H new ATOM 0 HH TYR A 92 -4.439 24.140 -17.323 1.00 0.00 H new ATOM 1451 N GLU A 93 -10.335 19.763 -15.018 1.00 0.00 N ATOM 1452 CA GLU A 93 -11.586 20.433 -15.352 1.00 0.00 C ATOM 1453 C GLU A 93 -12.231 21.032 -14.105 1.00 0.00 C ATOM 1454 O GLU A 93 -12.728 22.158 -14.131 1.00 0.00 O ATOM 1455 CB GLU A 93 -12.553 19.453 -16.019 1.00 0.00 C ATOM 1456 CG GLU A 93 -12.165 19.089 -17.442 1.00 0.00 C ATOM 1457 CD GLU A 93 -13.235 18.281 -18.151 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -14.421 18.422 -17.787 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -12.886 17.508 -19.067 1.00 0.00 O ATOM 0 H GLU A 93 -10.204 18.861 -15.476 1.00 0.00 H new ATOM 0 HA GLU A 93 -11.362 21.241 -16.048 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.605 18.543 -15.421 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -13.552 19.888 -16.024 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -11.971 20.001 -18.006 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -11.236 18.520 -17.427 1.00 0.00 H new