USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=30 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 -164:sc= -0.358 USER MOD Set 1.2: A 71 CYS SG : rot -92:sc= -0.0786 USER MOD Set 1.3: A 84 HIS : no HD1:sc= -3.51! C(o=-3.7!,f=-3.9!) USER MOD Set 1.4: A 88 CYS SG : rot -24:sc= 0.249 USER MOD Set 2.1: A 40 CYS SG : rot -136:sc= -4.11! USER MOD Set 2.2: A 43 CYS SG : rot -122:sc= -1.28 USER MOD Set 2.3: A 56 HIS : no HE2:sc= -4.9! X(o=-20!,f=-20) USER MOD Set 2.4: A 57 MET CE :methyl 170:sc= -5.1! (180deg=-2.33!) USER MOD Set 2.5: A 60 HIS : no HE2:sc= -4.45! C(o=-20!,f=-22!) USER MOD Set 3.1: A 13 CYS SG : rot -174:sc= 0.604 USER MOD Set 3.2: A 15 CYS SG : rot -64:sc= 0.883 USER MOD Set 3.3: A 28 HIS : no HD1:sc= -1.31 K(o=-2.1,f=-3.4) USER MOD Set 3.4: A 32 HIS : no HD1:sc= -2.28 K(o=-2.1,f=-2.7) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.177 X(o=-0.18,f=-0.17) USER MOD Single : A 17 LYS NZ :NH3+ -121:sc= 0 (180deg=-0.67) USER MOD Single : A 18 SER OG : rot 180:sc= 0 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=-0.11) 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= -0.201 K(o=-0.2,f=-1) USER MOD Single : A 29 MET CE :methyl -112:sc= -1.07 (180deg=-4.68!) USER MOD Single : A 30 SER OG : rot -46:sc= 1.06 USER MOD Single : A 31 MET CE :methyl 165:sc= -0.276 (180deg=-0.972) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=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+ -161:sc= 0 (180deg=-0.315) USER MOD Single : A 51 HIS : no HD1:sc= -2.03! C(o=-2!,f=-2.3!) USER MOD Single : A 52 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-2.9!) USER MOD Single : A 58 LYS NZ :NH3+ -121:sc= -0.653 (180deg=-1.91!) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -169:sc=-0.000673 (180deg=-0.0845) 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 HE2:sc= -2.14 X(o=-2.1,f=-2.5) USER MOD Single : A 86 THR OG1 : rot 62:sc= 1.27 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 84:sc= 1.21 USER MOD Single : A 90 LYS NZ :NH3+ 146:sc= -0.235 (180deg=-1.57) 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 1.685 6.750 16.673 1.00 0.00 N ATOM 120 CA TYR A 11 3.126 6.766 16.895 1.00 0.00 C ATOM 121 C TYR A 11 3.878 6.964 15.583 1.00 0.00 C ATOM 122 O TYR A 11 3.724 6.202 14.628 1.00 0.00 O ATOM 123 CB TYR A 11 3.575 5.464 17.561 1.00 0.00 C ATOM 124 CG TYR A 11 3.010 5.268 18.950 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.638 5.249 19.167 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.849 5.102 20.045 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.118 5.071 20.435 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.338 4.922 21.316 1.00 0.00 C ATOM 129 CZ TYR A 11 1.972 4.908 21.506 1.00 0.00 C ATOM 130 OH TYR A 11 1.457 4.729 22.769 1.00 0.00 O ATOM 0 HA TYR A 11 3.356 7.603 17.554 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.276 4.624 16.934 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.664 5.450 17.615 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.966 5.375 18.331 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.919 5.114 19.900 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.049 5.060 20.587 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.004 4.793 22.156 1.00 0.00 H new ATOM 0 HH TYR A 11 2.191 4.628 23.410 1.00 0.00 H new ATOM 140 N PRO A 12 4.712 8.013 15.532 1.00 0.00 N ATOM 141 CA PRO A 12 5.505 8.337 14.343 1.00 0.00 C ATOM 142 C PRO A 12 6.613 7.320 14.091 1.00 0.00 C ATOM 143 O PRO A 12 7.432 7.049 14.969 1.00 0.00 O ATOM 144 CB PRO A 12 6.103 9.706 14.677 1.00 0.00 C ATOM 145 CG PRO A 12 6.138 9.751 16.166 1.00 0.00 C ATOM 146 CD PRO A 12 4.944 8.964 16.632 1.00 0.00 C ATOM 0 HA PRO A 12 4.900 8.330 13.436 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.102 9.816 14.254 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.494 10.514 14.271 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.063 9.319 16.548 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.093 10.779 16.527 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.144 8.450 17.572 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.079 9.606 16.797 1.00 0.00 H new ATOM 154 N CYS A 13 6.633 6.760 12.886 1.00 0.00 N ATOM 155 CA CYS A 13 7.640 5.773 12.517 1.00 0.00 C ATOM 156 C CYS A 13 8.837 6.441 11.847 1.00 0.00 C ATOM 157 O CYS A 13 8.756 7.589 11.411 1.00 0.00 O ATOM 158 CB CYS A 13 7.037 4.724 11.580 1.00 0.00 C ATOM 159 SG CYS A 13 8.091 3.260 11.328 1.00 0.00 S ATOM 0 H CYS A 13 5.962 6.974 12.148 1.00 0.00 H new ATOM 0 HA CYS A 13 7.983 5.283 13.428 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.076 4.402 11.982 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.839 5.187 10.613 1.00 0.00 H new ATOM 0 HG CYS A 13 7.553 2.487 10.431 1.00 0.00 H new ATOM 164 N GLN A 14 9.947 5.714 11.770 1.00 0.00 N ATOM 165 CA GLN A 14 11.161 6.236 11.154 1.00 0.00 C ATOM 166 C GLN A 14 10.912 6.617 9.698 1.00 0.00 C ATOM 167 O GLN A 14 11.426 7.625 9.212 1.00 0.00 O ATOM 168 CB GLN A 14 12.286 5.203 11.238 1.00 0.00 C ATOM 169 CG GLN A 14 13.662 5.777 10.940 1.00 0.00 C ATOM 170 CD GLN A 14 14.778 4.788 11.214 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.701 5.073 11.978 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.700 3.618 10.591 1.00 0.00 N ATOM 0 H GLN A 14 10.031 4.762 12.126 1.00 0.00 H new ATOM 0 HA GLN A 14 11.459 7.132 11.699 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.292 4.765 12.236 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.079 4.395 10.537 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.704 6.087 9.896 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.817 6.671 11.544 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.917 3.424 9.966 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.423 2.913 10.737 1.00 0.00 H new ATOM 181 N CYS A 15 10.121 5.804 9.006 1.00 0.00 N ATOM 182 CA CYS A 15 9.804 6.054 7.605 1.00 0.00 C ATOM 183 C CYS A 15 8.908 7.281 7.461 1.00 0.00 C ATOM 184 O CYS A 15 8.946 7.976 6.446 1.00 0.00 O ATOM 185 CB CYS A 15 9.118 4.833 6.989 1.00 0.00 C ATOM 186 SG CYS A 15 7.598 4.320 7.852 1.00 0.00 S ATOM 0 H CYS A 15 9.687 4.966 9.393 1.00 0.00 H new ATOM 0 HA CYS A 15 10.738 6.243 7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.876 5.052 5.949 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.820 3.999 6.985 1.00 0.00 H new ATOM 0 HG CYS A 15 7.891 3.946 9.062 1.00 0.00 H new ATOM 191 N GLY A 16 8.101 7.541 8.485 1.00 0.00 N ATOM 192 CA GLY A 16 7.207 8.684 8.454 1.00 0.00 C ATOM 193 C GLY A 16 5.773 8.307 8.773 1.00 0.00 C ATOM 194 O GLY A 16 4.994 9.139 9.239 1.00 0.00 O ATOM 0 H GLY A 16 8.050 6.980 9.336 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.551 9.430 9.170 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.247 9.146 7.468 1.00 0.00 H new ATOM 198 N LYS A 17 5.423 7.051 8.520 1.00 0.00 N ATOM 199 CA LYS A 17 4.074 6.565 8.782 1.00 0.00 C ATOM 200 C LYS A 17 3.725 6.698 10.261 1.00 0.00 C ATOM 201 O LYS A 17 4.573 7.059 11.078 1.00 0.00 O ATOM 202 CB LYS A 17 3.942 5.104 8.346 1.00 0.00 C ATOM 203 CG LYS A 17 4.177 4.888 6.861 1.00 0.00 C ATOM 204 CD LYS A 17 4.195 3.411 6.508 1.00 0.00 C ATOM 205 CE LYS A 17 2.800 2.899 6.183 1.00 0.00 C ATOM 206 NZ LYS A 17 2.081 2.436 7.402 1.00 0.00 N ATOM 0 H LYS A 17 6.056 6.350 8.133 1.00 0.00 H new ATOM 0 HA LYS A 17 3.378 7.174 8.206 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.653 4.500 8.909 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.945 4.746 8.603 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.395 5.390 6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.124 5.344 6.572 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.852 3.248 5.654 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.608 2.842 7.341 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.226 3.690 5.701 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.872 2.078 5.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.822 1.435 7.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.698 2.546 8.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.220 3.004 7.534 1.00 0.00 H new ATOM 220 N SER A 18 2.474 6.403 10.599 1.00 0.00 N ATOM 221 CA SER A 18 2.014 6.493 11.980 1.00 0.00 C ATOM 222 C SER A 18 1.118 5.308 12.331 1.00 0.00 C ATOM 223 O SER A 18 0.221 4.946 11.570 1.00 0.00 O ATOM 224 CB SER A 18 1.257 7.803 12.203 1.00 0.00 C ATOM 225 OG SER A 18 0.240 7.977 11.231 1.00 0.00 O ATOM 0 H SER A 18 1.761 6.100 9.936 1.00 0.00 H new ATOM 0 HA SER A 18 2.888 6.472 12.631 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.816 7.807 13.200 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.953 8.641 12.159 1.00 0.00 H new ATOM 0 HG SER A 18 -0.230 8.821 11.397 1.00 0.00 H new ATOM 231 N PHE A 19 1.369 4.709 13.491 1.00 0.00 N ATOM 232 CA PHE A 19 0.587 3.565 13.945 1.00 0.00 C ATOM 233 C PHE A 19 -0.134 3.883 15.251 1.00 0.00 C ATOM 234 O PHE A 19 0.403 4.572 16.120 1.00 0.00 O ATOM 235 CB PHE A 19 1.491 2.345 14.132 1.00 0.00 C ATOM 236 CG PHE A 19 2.244 1.961 12.890 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.450 2.570 12.580 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.748 0.992 12.034 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.145 2.219 11.438 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.438 0.637 10.891 1.00 0.00 C ATOM 241 CZ PHE A 19 3.639 1.251 10.593 1.00 0.00 C ATOM 0 H PHE A 19 2.107 4.997 14.133 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.160 3.342 13.183 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.204 2.550 14.931 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.884 1.499 14.456 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.851 3.327 13.238 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.810 0.508 12.263 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.083 2.701 11.207 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.039 -0.119 10.231 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.181 0.975 9.701 1.00 0.00 H new ATOM 251 N THR A 20 -1.356 3.377 15.384 1.00 0.00 N ATOM 252 CA THR A 20 -2.153 3.607 16.583 1.00 0.00 C ATOM 253 C THR A 20 -1.490 2.992 17.810 1.00 0.00 C ATOM 254 O THR A 20 -1.691 3.454 18.934 1.00 0.00 O ATOM 255 CB THR A 20 -3.572 3.027 16.435 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.227 3.616 15.306 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.393 3.276 17.691 1.00 0.00 C ATOM 0 H THR A 20 -1.816 2.805 14.676 1.00 0.00 H new ATOM 0 HA THR A 20 -2.222 4.687 16.714 1.00 0.00 H new ATOM 0 HB THR A 20 -3.486 1.951 16.284 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.128 3.241 15.218 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.391 2.857 17.562 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.907 2.801 18.543 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.470 4.349 17.869 1.00 0.00 H new ATOM 265 N HIS A 21 -0.699 1.947 17.589 1.00 0.00 N ATOM 266 CA HIS A 21 -0.006 1.269 18.678 1.00 0.00 C ATOM 267 C HIS A 21 1.507 1.380 18.511 1.00 0.00 C ATOM 268 O HIS A 21 2.009 1.556 17.401 1.00 0.00 O ATOM 269 CB HIS A 21 -0.417 -0.203 18.735 1.00 0.00 C ATOM 270 CG HIS A 21 -1.701 -0.438 19.469 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.881 -0.104 20.795 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.872 -0.976 19.055 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.107 -0.428 21.165 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.729 -0.959 20.128 1.00 0.00 N ATOM 0 H HIS A 21 -0.522 1.551 16.666 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.288 1.754 19.613 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.514 -0.584 17.718 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.377 -0.775 19.216 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -3.091 -1.349 18.066 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.529 -0.283 22.149 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.690 -1.301 20.125 1.00 0.00 H new ATOM 282 N LYS A 22 2.229 1.278 19.622 1.00 0.00 N ATOM 283 CA LYS A 22 3.684 1.367 19.601 1.00 0.00 C ATOM 284 C LYS A 22 4.292 0.167 18.881 1.00 0.00 C ATOM 285 O LYS A 22 4.986 0.320 17.876 1.00 0.00 O ATOM 286 CB LYS A 22 4.231 1.451 21.027 1.00 0.00 C ATOM 287 CG LYS A 22 5.678 1.909 21.098 1.00 0.00 C ATOM 288 CD LYS A 22 5.988 2.575 22.428 1.00 0.00 C ATOM 289 CE LYS A 22 6.321 1.549 23.500 1.00 0.00 C ATOM 290 NZ LYS A 22 6.175 2.112 24.871 1.00 0.00 N ATOM 0 H LYS A 22 1.829 1.133 20.549 1.00 0.00 H new ATOM 0 HA LYS A 22 3.960 2.272 19.059 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.613 2.138 21.604 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.145 0.472 21.498 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.339 1.054 20.956 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.880 2.606 20.285 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.826 3.261 22.306 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.132 3.171 22.746 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.666 0.684 23.391 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.342 1.195 23.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.411 1.382 25.573 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.818 2.922 24.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.194 2.426 25.015 1.00 0.00 H new ATOM 304 N SER A 23 4.025 -1.027 19.401 1.00 0.00 N ATOM 305 CA SER A 23 4.547 -2.253 18.809 1.00 0.00 C ATOM 306 C SER A 23 4.440 -2.210 17.288 1.00 0.00 C ATOM 307 O SER A 23 5.371 -2.590 16.579 1.00 0.00 O ATOM 308 CB SER A 23 3.793 -3.468 19.352 1.00 0.00 C ATOM 309 OG SER A 23 4.587 -4.639 19.271 1.00 0.00 O ATOM 0 H SER A 23 3.450 -1.171 20.231 1.00 0.00 H new ATOM 0 HA SER A 23 5.600 -2.338 19.079 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.508 -3.289 20.389 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.871 -3.610 18.788 1.00 0.00 H new ATOM 0 HG SER A 23 4.083 -5.401 19.626 1.00 0.00 H new ATOM 315 N GLN A 24 3.297 -1.745 16.795 1.00 0.00 N ATOM 316 CA GLN A 24 3.066 -1.654 15.358 1.00 0.00 C ATOM 317 C GLN A 24 4.099 -0.747 14.698 1.00 0.00 C ATOM 318 O GLN A 24 4.532 -0.998 13.573 1.00 0.00 O ATOM 319 CB GLN A 24 1.657 -1.130 15.078 1.00 0.00 C ATOM 320 CG GLN A 24 0.576 -2.191 15.210 1.00 0.00 C ATOM 321 CD GLN A 24 0.678 -3.264 14.144 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.167 -3.015 13.041 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.216 -4.466 14.467 1.00 0.00 N ATOM 0 H GLN A 24 2.517 -1.426 17.369 1.00 0.00 H new ATOM 0 HA GLN A 24 3.164 -2.654 14.936 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.439 -0.313 15.766 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.626 -0.715 14.071 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.645 -2.654 16.194 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.403 -1.716 15.149 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.181 -4.628 15.392 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.258 -5.227 13.790 1.00 0.00 H new ATOM 332 N ARG A 25 4.489 0.309 15.404 1.00 0.00 N ATOM 333 CA ARG A 25 5.470 1.256 14.886 1.00 0.00 C ATOM 334 C ARG A 25 6.886 0.709 15.039 1.00 0.00 C ATOM 335 O ARG A 25 7.710 0.829 14.133 1.00 0.00 O ATOM 336 CB ARG A 25 5.348 2.597 15.610 1.00 0.00 C ATOM 337 CG ARG A 25 6.415 3.604 15.212 1.00 0.00 C ATOM 338 CD ARG A 25 7.646 3.491 16.099 1.00 0.00 C ATOM 339 NE ARG A 25 7.338 3.770 17.499 1.00 0.00 N ATOM 340 CZ ARG A 25 8.264 3.902 18.443 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.548 3.781 18.137 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.905 4.155 19.695 1.00 0.00 N ATOM 0 H ARG A 25 4.141 0.531 16.337 1.00 0.00 H new ATOM 0 HA ARG A 25 5.269 1.405 13.825 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.365 3.022 15.406 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.405 2.426 16.685 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.699 3.443 14.172 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.008 4.613 15.279 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.064 2.488 16.013 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.410 4.186 15.750 1.00 0.00 H new ATOM 0 HE ARG A 25 6.359 3.869 17.767 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.827 3.586 17.175 1.00 0.00 H new ATOM 0 HH12 ARG A 25 10.257 3.883 18.863 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.918 4.248 19.934 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.616 4.256 20.419 1.00 0.00 H new ATOM 356 N ASP A 26 7.162 0.110 16.192 1.00 0.00 N ATOM 357 CA ASP A 26 8.478 -0.456 16.465 1.00 0.00 C ATOM 358 C ASP A 26 8.839 -1.516 15.429 1.00 0.00 C ATOM 359 O ASP A 26 9.894 -1.447 14.798 1.00 0.00 O ATOM 360 CB ASP A 26 8.515 -1.063 17.868 1.00 0.00 C ATOM 361 CG ASP A 26 9.928 -1.219 18.394 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.829 -1.540 17.591 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.134 -1.020 19.610 1.00 0.00 O ATOM 0 H ASP A 26 6.491 0.004 16.953 1.00 0.00 H new ATOM 0 HA ASP A 26 9.211 0.348 16.406 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.945 -0.432 18.549 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.027 -2.037 17.852 1.00 0.00 H new ATOM 368 N ARG A 27 7.958 -2.496 15.261 1.00 0.00 N ATOM 369 CA ARG A 27 8.185 -3.572 14.304 1.00 0.00 C ATOM 370 C ARG A 27 8.432 -3.012 12.906 1.00 0.00 C ATOM 371 O ARG A 27 9.263 -3.528 12.157 1.00 0.00 O ATOM 372 CB ARG A 27 6.987 -4.523 14.279 1.00 0.00 C ATOM 373 CG ARG A 27 5.721 -3.895 13.721 1.00 0.00 C ATOM 374 CD ARG A 27 4.640 -4.937 13.481 1.00 0.00 C ATOM 375 NE ARG A 27 4.769 -5.567 12.170 1.00 0.00 N ATOM 376 CZ ARG A 27 4.253 -6.755 11.872 1.00 0.00 C ATOM 377 NH1 ARG A 27 3.578 -7.436 12.786 1.00 0.00 N ATOM 378 NH2 ARG A 27 4.413 -7.262 10.656 1.00 0.00 N ATOM 0 H ARG A 27 7.080 -2.567 15.775 1.00 0.00 H new ATOM 0 HA ARG A 27 9.071 -4.123 14.619 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.242 -5.398 13.682 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.792 -4.874 15.292 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.352 -3.140 14.415 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.949 -3.384 12.786 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.694 -5.701 14.257 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.660 -4.468 13.563 1.00 0.00 H new ATOM 0 HE ARG A 27 5.283 -5.068 11.444 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.453 -7.049 13.721 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.183 -8.347 12.554 1.00 0.00 H new ATOM 0 HH21 ARG A 27 4.932 -6.740 9.950 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.017 -8.174 10.427 1.00 0.00 H new ATOM 392 N HIS A 28 7.704 -1.955 12.560 1.00 0.00 N ATOM 393 CA HIS A 28 7.844 -1.325 11.252 1.00 0.00 C ATOM 394 C HIS A 28 9.205 -0.648 11.118 1.00 0.00 C ATOM 395 O HIS A 28 9.768 -0.575 10.026 1.00 0.00 O ATOM 396 CB HIS A 28 6.729 -0.303 11.032 1.00 0.00 C ATOM 397 CG HIS A 28 6.419 -0.056 9.588 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.868 1.052 8.901 1.00 0.00 N ATOM 399 CD2 HIS A 28 5.701 -0.782 8.699 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.438 0.998 7.653 1.00 0.00 C ATOM 401 NE2 HIS A 28 5.728 -0.106 7.504 1.00 0.00 N ATOM 0 H HIS A 28 7.011 -1.517 13.167 1.00 0.00 H new ATOM 0 HA HIS A 28 7.768 -2.103 10.492 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.826 -0.649 11.535 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.014 0.639 11.500 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.200 -1.719 8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.634 1.732 6.885 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.274 -0.407 6.642 1.00 0.00 H new ATOM 409 N MET A 29 9.727 -0.154 12.236 1.00 0.00 N ATOM 410 CA MET A 29 11.022 0.517 12.242 1.00 0.00 C ATOM 411 C MET A 29 12.147 -0.469 11.943 1.00 0.00 C ATOM 412 O MET A 29 13.003 -0.210 11.098 1.00 0.00 O ATOM 413 CB MET A 29 11.264 1.190 13.595 1.00 0.00 C ATOM 414 CG MET A 29 10.751 2.619 13.663 1.00 0.00 C ATOM 415 SD MET A 29 11.547 3.582 14.963 1.00 0.00 S ATOM 416 CE MET A 29 13.236 3.624 14.368 1.00 0.00 C ATOM 0 H MET A 29 9.274 -0.206 13.148 1.00 0.00 H new ATOM 0 HA MET A 29 11.013 1.278 11.461 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.781 0.602 14.376 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.333 1.186 13.808 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.917 3.106 12.702 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.674 2.607 13.833 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.871 3.038 15.033 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.278 3.204 13.363 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.588 4.655 14.346 1.00 0.00 H new ATOM 426 N SER A 30 12.138 -1.599 12.642 1.00 0.00 N ATOM 427 CA SER A 30 13.161 -2.622 12.454 1.00 0.00 C ATOM 428 C SER A 30 13.301 -2.984 10.978 1.00 0.00 C ATOM 429 O SER A 30 14.411 -3.122 10.465 1.00 0.00 O ATOM 430 CB SER A 30 12.818 -3.872 13.267 1.00 0.00 C ATOM 431 OG SER A 30 11.556 -4.395 12.890 1.00 0.00 O ATOM 0 H SER A 30 11.434 -1.830 13.343 1.00 0.00 H new ATOM 0 HA SER A 30 14.112 -2.220 12.804 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.588 -4.629 13.118 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.812 -3.628 14.329 1.00 0.00 H new ATOM 0 HG SER A 30 10.902 -3.667 12.838 1.00 0.00 H new ATOM 437 N MET A 31 12.167 -3.137 10.302 1.00 0.00 N ATOM 438 CA MET A 31 12.163 -3.482 8.885 1.00 0.00 C ATOM 439 C MET A 31 13.157 -2.620 8.113 1.00 0.00 C ATOM 440 O MET A 31 13.997 -3.134 7.374 1.00 0.00 O ATOM 441 CB MET A 31 10.760 -3.311 8.301 1.00 0.00 C ATOM 442 CG MET A 31 9.726 -4.237 8.921 1.00 0.00 C ATOM 443 SD MET A 31 8.045 -3.853 8.394 1.00 0.00 S ATOM 444 CE MET A 31 8.319 -3.420 6.678 1.00 0.00 C ATOM 0 H MET A 31 11.240 -3.028 10.712 1.00 0.00 H new ATOM 0 HA MET A 31 12.464 -4.525 8.789 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.441 -2.278 8.441 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.798 -3.490 7.227 1.00 0.00 H new ATOM 0 HG2 MET A 31 9.960 -5.267 8.654 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.787 -4.168 10.007 1.00 0.00 H new ATOM 0 HE1 MET A 31 7.367 -3.417 6.147 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.770 -2.429 6.620 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.987 -4.150 6.221 1.00 0.00 H new ATOM 454 N HIS A 32 13.056 -1.306 8.289 1.00 0.00 N ATOM 455 CA HIS A 32 13.946 -0.373 7.608 1.00 0.00 C ATOM 456 C HIS A 32 15.407 -0.737 7.856 1.00 0.00 C ATOM 457 O HIS A 32 16.240 -0.657 6.952 1.00 0.00 O ATOM 458 CB HIS A 32 13.678 1.057 8.079 1.00 0.00 C ATOM 459 CG HIS A 32 12.221 1.392 8.174 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.303 1.040 7.208 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.525 2.051 9.130 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.105 1.469 7.564 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.213 2.085 8.728 1.00 0.00 N ATOM 0 H HIS A 32 12.367 -0.864 8.897 1.00 0.00 H new ATOM 0 HA HIS A 32 13.750 -0.438 6.538 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.140 1.202 9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.159 1.753 7.392 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.927 2.472 10.040 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.193 1.338 7.000 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.446 2.516 9.244 1.00 0.00 H new ATOM 582 N CYS A 40 15.809 -7.531 -6.592 1.00 0.00 N ATOM 583 CA CYS A 40 15.701 -8.125 -7.919 1.00 0.00 C ATOM 584 C CYS A 40 14.818 -9.369 -7.888 1.00 0.00 C ATOM 585 O CYS A 40 15.240 -10.432 -7.435 1.00 0.00 O ATOM 586 CB CYS A 40 17.088 -8.485 -8.454 1.00 0.00 C ATOM 587 SG CYS A 40 17.063 -9.424 -10.015 1.00 0.00 S ATOM 0 HA CYS A 40 15.242 -7.391 -8.582 1.00 0.00 H new ATOM 0 HB2 CYS A 40 17.657 -7.568 -8.604 1.00 0.00 H new ATOM 0 HB3 CYS A 40 17.616 -9.069 -7.700 1.00 0.00 H new ATOM 0 HG CYS A 40 17.921 -10.398 -9.949 1.00 0.00 H new ATOM 592 N GLY A 41 13.588 -9.228 -8.374 1.00 0.00 N ATOM 593 CA GLY A 41 12.664 -10.347 -8.392 1.00 0.00 C ATOM 594 C GLY A 41 12.920 -11.290 -9.551 1.00 0.00 C ATOM 595 O GLY A 41 11.983 -11.815 -10.152 1.00 0.00 O ATOM 0 H GLY A 41 13.215 -8.359 -8.756 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.746 -10.897 -7.455 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.643 -9.970 -8.452 1.00 0.00 H new ATOM 599 N VAL A 42 14.193 -11.505 -9.867 1.00 0.00 N ATOM 600 CA VAL A 42 14.570 -12.391 -10.963 1.00 0.00 C ATOM 601 C VAL A 42 15.624 -13.398 -10.517 1.00 0.00 C ATOM 602 O VAL A 42 15.509 -14.595 -10.786 1.00 0.00 O ATOM 603 CB VAL A 42 15.110 -11.597 -12.166 1.00 0.00 C ATOM 604 CG1 VAL A 42 15.513 -12.539 -13.291 1.00 0.00 C ATOM 605 CG2 VAL A 42 14.076 -10.591 -12.648 1.00 0.00 C ATOM 0 H VAL A 42 14.981 -11.078 -9.380 1.00 0.00 H new ATOM 0 HA VAL A 42 13.668 -12.923 -11.265 1.00 0.00 H new ATOM 0 HB VAL A 42 15.997 -11.049 -11.848 1.00 0.00 H new ATOM 0 HG11 VAL A 42 15.892 -11.959 -14.133 1.00 0.00 H new ATOM 0 HG12 VAL A 42 16.290 -13.216 -12.937 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.646 -13.117 -13.610 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.475 -10.039 -13.499 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.170 -11.117 -12.949 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.841 -9.896 -11.842 1.00 0.00 H new ATOM 615 N CYS A 43 16.652 -12.907 -9.834 1.00 0.00 N ATOM 616 CA CYS A 43 17.729 -13.763 -9.350 1.00 0.00 C ATOM 617 C CYS A 43 17.687 -13.882 -7.829 1.00 0.00 C ATOM 618 O CYS A 43 17.959 -14.944 -7.272 1.00 0.00 O ATOM 619 CB CYS A 43 19.085 -13.211 -9.792 1.00 0.00 C ATOM 620 SG CYS A 43 19.638 -11.754 -8.849 1.00 0.00 S ATOM 0 H CYS A 43 16.762 -11.920 -9.603 1.00 0.00 H new ATOM 0 HA CYS A 43 17.591 -14.756 -9.779 1.00 0.00 H new ATOM 0 HB2 CYS A 43 19.834 -13.997 -9.697 1.00 0.00 H new ATOM 0 HB3 CYS A 43 19.031 -12.948 -10.848 1.00 0.00 H new ATOM 0 HG CYS A 43 19.831 -10.758 -9.662 1.00 0.00 H new ATOM 625 N GLY A 44 17.344 -12.783 -7.164 1.00 0.00 N ATOM 626 CA GLY A 44 17.272 -12.785 -5.715 1.00 0.00 C ATOM 627 C GLY A 44 18.273 -11.838 -5.083 1.00 0.00 C ATOM 628 O GLY A 44 18.777 -12.093 -3.989 1.00 0.00 O ATOM 0 H GLY A 44 17.115 -11.891 -7.603 1.00 0.00 H new ATOM 0 HA2 GLY A 44 16.265 -12.505 -5.404 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.450 -13.795 -5.347 1.00 0.00 H new ATOM 632 N LYS A 45 18.563 -10.740 -5.774 1.00 0.00 N ATOM 633 CA LYS A 45 19.510 -9.750 -5.276 1.00 0.00 C ATOM 634 C LYS A 45 18.781 -8.556 -4.669 1.00 0.00 C ATOM 635 O LYS A 45 17.551 -8.490 -4.691 1.00 0.00 O ATOM 636 CB LYS A 45 20.429 -9.279 -6.406 1.00 0.00 C ATOM 637 CG LYS A 45 21.680 -10.126 -6.566 1.00 0.00 C ATOM 638 CD LYS A 45 22.766 -9.379 -7.321 1.00 0.00 C ATOM 639 CE LYS A 45 24.152 -9.875 -6.940 1.00 0.00 C ATOM 640 NZ LYS A 45 25.207 -8.873 -7.258 1.00 0.00 N ATOM 0 H LYS A 45 18.155 -10.514 -6.681 1.00 0.00 H new ATOM 0 HA LYS A 45 20.112 -10.220 -4.498 1.00 0.00 H new ATOM 0 HB2 LYS A 45 19.872 -9.288 -7.343 1.00 0.00 H new ATOM 0 HB3 LYS A 45 20.721 -8.246 -6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.052 -10.416 -5.583 1.00 0.00 H new ATOM 0 HG3 LYS A 45 21.433 -11.045 -7.097 1.00 0.00 H new ATOM 0 HD2 LYS A 45 22.616 -9.503 -8.393 1.00 0.00 H new ATOM 0 HD3 LYS A 45 22.689 -8.312 -7.110 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.176 -10.102 -5.874 1.00 0.00 H new ATOM 0 HE3 LYS A 45 24.363 -10.805 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.137 -9.249 -6.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 25.201 -8.675 -8.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 25.020 -7.994 -6.734 1.00 0.00 H new ATOM 654 N LYS A 46 19.545 -7.614 -4.127 1.00 0.00 N ATOM 655 CA LYS A 46 18.973 -6.421 -3.516 1.00 0.00 C ATOM 656 C LYS A 46 19.985 -5.280 -3.497 1.00 0.00 C ATOM 657 O LYS A 46 21.194 -5.508 -3.555 1.00 0.00 O ATOM 658 CB LYS A 46 18.506 -6.726 -2.091 1.00 0.00 C ATOM 659 CG LYS A 46 17.442 -7.808 -2.019 1.00 0.00 C ATOM 660 CD LYS A 46 16.683 -7.756 -0.703 1.00 0.00 C ATOM 661 CE LYS A 46 15.448 -8.644 -0.737 1.00 0.00 C ATOM 662 NZ LYS A 46 14.401 -8.173 0.212 1.00 0.00 N ATOM 0 H LYS A 46 20.564 -7.654 -4.099 1.00 0.00 H new ATOM 0 HA LYS A 46 18.116 -6.113 -4.115 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.365 -7.032 -1.494 1.00 0.00 H new ATOM 0 HB3 LYS A 46 18.115 -5.813 -1.642 1.00 0.00 H new ATOM 0 HG2 LYS A 46 16.744 -7.689 -2.848 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.908 -8.787 -2.133 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.338 -8.072 0.109 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.388 -6.728 -0.492 1.00 0.00 H new ATOM 0 HE2 LYS A 46 15.041 -8.661 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 46 15.729 -9.667 -0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.576 -8.804 0.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 14.781 -8.180 1.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.114 -7.206 -0.040 1.00 0.00 H new ATOM 676 N PHE A 47 19.484 -4.052 -3.415 1.00 0.00 N ATOM 677 CA PHE A 47 20.345 -2.875 -3.388 1.00 0.00 C ATOM 678 C PHE A 47 19.745 -1.782 -2.509 1.00 0.00 C ATOM 679 O PHE A 47 18.528 -1.704 -2.340 1.00 0.00 O ATOM 680 CB PHE A 47 20.564 -2.344 -4.806 1.00 0.00 C ATOM 681 CG PHE A 47 20.986 -3.402 -5.784 1.00 0.00 C ATOM 682 CD1 PHE A 47 20.145 -4.460 -6.087 1.00 0.00 C ATOM 683 CD2 PHE A 47 22.225 -3.338 -6.402 1.00 0.00 C ATOM 684 CE1 PHE A 47 20.532 -5.436 -6.986 1.00 0.00 C ATOM 685 CE2 PHE A 47 22.617 -4.310 -7.303 1.00 0.00 C ATOM 686 CZ PHE A 47 21.769 -5.360 -7.596 1.00 0.00 C ATOM 0 H PHE A 47 18.486 -3.846 -3.366 1.00 0.00 H new ATOM 0 HA PHE A 47 21.306 -3.168 -2.966 1.00 0.00 H new ATOM 0 HB2 PHE A 47 19.642 -1.882 -5.159 1.00 0.00 H new ATOM 0 HB3 PHE A 47 21.323 -1.562 -4.779 1.00 0.00 H new ATOM 0 HD1 PHE A 47 19.176 -4.523 -5.615 1.00 0.00 H new ATOM 0 HD2 PHE A 47 22.892 -2.519 -6.177 1.00 0.00 H new ATOM 0 HE1 PHE A 47 19.868 -6.257 -7.211 1.00 0.00 H new ATOM 0 HE2 PHE A 47 23.585 -4.249 -7.777 1.00 0.00 H new ATOM 0 HZ PHE A 47 22.072 -6.120 -8.301 1.00 0.00 H new ATOM 696 N LYS A 48 20.607 -0.938 -1.952 1.00 0.00 N ATOM 697 CA LYS A 48 20.164 0.152 -1.092 1.00 0.00 C ATOM 698 C LYS A 48 19.658 1.328 -1.920 1.00 0.00 C ATOM 699 O LYS A 48 18.626 1.922 -1.607 1.00 0.00 O ATOM 700 CB LYS A 48 21.308 0.609 -0.183 1.00 0.00 C ATOM 701 CG LYS A 48 20.838 1.209 1.131 1.00 0.00 C ATOM 702 CD LYS A 48 21.982 1.342 2.123 1.00 0.00 C ATOM 703 CE LYS A 48 21.653 2.342 3.221 1.00 0.00 C ATOM 704 NZ LYS A 48 22.724 2.402 4.254 1.00 0.00 N ATOM 0 H LYS A 48 21.618 -0.988 -2.081 1.00 0.00 H new ATOM 0 HA LYS A 48 19.343 -0.215 -0.476 1.00 0.00 H new ATOM 0 HB2 LYS A 48 21.956 -0.242 0.027 1.00 0.00 H new ATOM 0 HB3 LYS A 48 21.911 1.346 -0.714 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.398 2.189 0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.055 0.583 1.559 1.00 0.00 H new ATOM 0 HD2 LYS A 48 22.195 0.370 2.567 1.00 0.00 H new ATOM 0 HD3 LYS A 48 22.884 1.658 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 48 21.515 3.330 2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.709 2.067 3.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 22.463 3.094 4.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 22.839 1.465 4.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 23.619 2.689 3.809 1.00 0.00 H new ATOM 718 N MET A 49 20.390 1.659 -2.979 1.00 0.00 N ATOM 719 CA MET A 49 20.013 2.763 -3.854 1.00 0.00 C ATOM 720 C MET A 49 19.155 2.268 -5.015 1.00 0.00 C ATOM 721 O MET A 49 19.004 1.063 -5.220 1.00 0.00 O ATOM 722 CB MET A 49 21.261 3.465 -4.391 1.00 0.00 C ATOM 723 CG MET A 49 22.223 3.912 -3.302 1.00 0.00 C ATOM 724 SD MET A 49 21.729 5.467 -2.534 1.00 0.00 S ATOM 725 CE MET A 49 22.930 5.588 -1.212 1.00 0.00 C ATOM 0 H MET A 49 21.247 1.178 -3.252 1.00 0.00 H new ATOM 0 HA MET A 49 19.428 3.473 -3.270 1.00 0.00 H new ATOM 0 HB2 MET A 49 21.783 2.791 -5.071 1.00 0.00 H new ATOM 0 HB3 MET A 49 20.956 4.334 -4.974 1.00 0.00 H new ATOM 0 HG2 MET A 49 22.286 3.138 -2.538 1.00 0.00 H new ATOM 0 HG3 MET A 49 23.221 4.022 -3.727 1.00 0.00 H new ATOM 0 HE1 MET A 49 22.755 6.501 -0.644 1.00 0.00 H new ATOM 0 HE2 MET A 49 22.833 4.726 -0.552 1.00 0.00 H new ATOM 0 HE3 MET A 49 23.935 5.610 -1.634 1.00 0.00 H new ATOM 735 N LYS A 50 18.594 3.205 -5.771 1.00 0.00 N ATOM 736 CA LYS A 50 17.751 2.865 -6.912 1.00 0.00 C ATOM 737 C LYS A 50 18.597 2.602 -8.154 1.00 0.00 C ATOM 738 O LYS A 50 18.396 1.611 -8.856 1.00 0.00 O ATOM 739 CB LYS A 50 16.755 3.992 -7.190 1.00 0.00 C ATOM 740 CG LYS A 50 17.296 5.375 -6.871 1.00 0.00 C ATOM 741 CD LYS A 50 16.725 6.427 -7.807 1.00 0.00 C ATOM 742 CE LYS A 50 15.381 6.942 -7.315 1.00 0.00 C ATOM 743 NZ LYS A 50 14.268 6.022 -7.680 1.00 0.00 N ATOM 0 H LYS A 50 18.708 4.207 -5.615 1.00 0.00 H new ATOM 0 HA LYS A 50 17.202 1.955 -6.668 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.465 3.958 -8.240 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.852 3.820 -6.604 1.00 0.00 H new ATOM 0 HG2 LYS A 50 17.052 5.633 -5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 50 18.383 5.368 -6.950 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.425 7.258 -7.892 1.00 0.00 H new ATOM 0 HD3 LYS A 50 16.610 6.004 -8.805 1.00 0.00 H new ATOM 0 HE2 LYS A 50 15.412 7.063 -6.232 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.192 7.928 -7.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.364 6.533 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.410 5.672 -8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.252 5.218 -7.020 1.00 0.00 H new ATOM 757 N HIS A 51 19.545 3.496 -8.419 1.00 0.00 N ATOM 758 CA HIS A 51 20.424 3.359 -9.575 1.00 0.00 C ATOM 759 C HIS A 51 21.419 2.221 -9.370 1.00 0.00 C ATOM 760 O HIS A 51 22.119 1.819 -10.300 1.00 0.00 O ATOM 761 CB HIS A 51 21.172 4.667 -9.831 1.00 0.00 C ATOM 762 CG HIS A 51 21.335 5.514 -8.606 1.00 0.00 C ATOM 763 ND1 HIS A 51 21.817 5.023 -7.411 1.00 0.00 N ATOM 764 CD2 HIS A 51 21.079 6.826 -8.397 1.00 0.00 C ATOM 765 CE1 HIS A 51 21.848 5.997 -6.519 1.00 0.00 C ATOM 766 NE2 HIS A 51 21.406 7.101 -7.092 1.00 0.00 N ATOM 0 H HIS A 51 19.724 4.323 -7.849 1.00 0.00 H new ATOM 0 HA HIS A 51 19.808 3.126 -10.443 1.00 0.00 H new ATOM 0 HB2 HIS A 51 22.157 4.439 -10.239 1.00 0.00 H new ATOM 0 HB3 HIS A 51 20.638 5.239 -10.590 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.690 7.526 -9.121 1.00 0.00 H new ATOM 0 HE1 HIS A 51 22.179 5.906 -5.495 1.00 0.00 H new ATOM 0 HE2 HIS A 51 21.321 8.011 -6.639 1.00 0.00 H new ATOM 774 N HIS A 52 21.478 1.706 -8.145 1.00 0.00 N ATOM 775 CA HIS A 52 22.388 0.615 -7.818 1.00 0.00 C ATOM 776 C HIS A 52 21.805 -0.727 -8.251 1.00 0.00 C ATOM 777 O HIS A 52 22.539 -1.688 -8.485 1.00 0.00 O ATOM 778 CB HIS A 52 22.679 0.598 -6.317 1.00 0.00 C ATOM 779 CG HIS A 52 23.717 1.592 -5.896 1.00 0.00 C ATOM 780 ND1 HIS A 52 24.194 1.680 -4.606 1.00 0.00 N ATOM 781 CD2 HIS A 52 24.371 2.542 -6.604 1.00 0.00 C ATOM 782 CE1 HIS A 52 25.096 2.644 -4.538 1.00 0.00 C ATOM 783 NE2 HIS A 52 25.222 3.182 -5.737 1.00 0.00 N ATOM 0 H HIS A 52 20.906 2.027 -7.364 1.00 0.00 H new ATOM 0 HA HIS A 52 23.320 0.777 -8.359 1.00 0.00 H new ATOM 0 HB2 HIS A 52 21.755 0.798 -5.774 1.00 0.00 H new ATOM 0 HB3 HIS A 52 23.007 -0.401 -6.030 1.00 0.00 H new ATOM 0 HD2 HIS A 52 24.247 2.757 -7.655 1.00 0.00 H new ATOM 0 HE1 HIS A 52 25.638 2.941 -3.652 1.00 0.00 H new ATOM 0 HE2 HIS A 52 25.850 3.949 -5.980 1.00 0.00 H new ATOM 791 N LEU A 53 20.482 -0.786 -8.354 1.00 0.00 N ATOM 792 CA LEU A 53 19.800 -2.011 -8.758 1.00 0.00 C ATOM 793 C LEU A 53 19.718 -2.112 -10.278 1.00 0.00 C ATOM 794 O LEU A 53 19.899 -3.188 -10.849 1.00 0.00 O ATOM 795 CB LEU A 53 18.395 -2.057 -8.156 1.00 0.00 C ATOM 796 CG LEU A 53 17.464 -3.139 -8.707 1.00 0.00 C ATOM 797 CD1 LEU A 53 18.004 -4.523 -8.381 1.00 0.00 C ATOM 798 CD2 LEU A 53 16.059 -2.968 -8.149 1.00 0.00 C ATOM 0 H LEU A 53 19.860 -0.000 -8.163 1.00 0.00 H new ATOM 0 HA LEU A 53 20.376 -2.859 -8.386 1.00 0.00 H new ATOM 0 HB2 LEU A 53 18.487 -2.199 -7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 53 17.923 -1.087 -8.310 1.00 0.00 H new ATOM 0 HG LEU A 53 17.418 -3.035 -9.791 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.329 -5.280 -8.780 1.00 0.00 H new ATOM 0 HD12 LEU A 53 18.990 -4.643 -8.829 1.00 0.00 H new ATOM 0 HD13 LEU A 53 18.080 -4.639 -7.300 1.00 0.00 H new ATOM 0 HD21 LEU A 53 15.410 -3.746 -8.552 1.00 0.00 H new ATOM 0 HD22 LEU A 53 16.087 -3.046 -7.062 1.00 0.00 H new ATOM 0 HD23 LEU A 53 15.671 -1.990 -8.433 1.00 0.00 H new ATOM 810 N VAL A 54 19.447 -0.985 -10.928 1.00 0.00 N ATOM 811 CA VAL A 54 19.345 -0.946 -12.382 1.00 0.00 C ATOM 812 C VAL A 54 20.575 -1.564 -13.036 1.00 0.00 C ATOM 813 O VAL A 54 20.476 -2.557 -13.755 1.00 0.00 O ATOM 814 CB VAL A 54 19.175 0.497 -12.894 1.00 0.00 C ATOM 815 CG1 VAL A 54 19.485 0.575 -14.381 1.00 0.00 C ATOM 816 CG2 VAL A 54 17.769 1.001 -12.607 1.00 0.00 C ATOM 0 H VAL A 54 19.294 -0.086 -10.470 1.00 0.00 H new ATOM 0 HA VAL A 54 18.463 -1.526 -12.653 1.00 0.00 H new ATOM 0 HB VAL A 54 19.881 1.138 -12.366 1.00 0.00 H new ATOM 0 HG11 VAL A 54 19.360 1.602 -14.725 1.00 0.00 H new ATOM 0 HG12 VAL A 54 20.513 0.257 -14.556 1.00 0.00 H new ATOM 0 HG13 VAL A 54 18.805 -0.077 -14.929 1.00 0.00 H new ATOM 0 HG21 VAL A 54 17.666 2.022 -12.975 1.00 0.00 H new ATOM 0 HG22 VAL A 54 17.043 0.360 -13.108 1.00 0.00 H new ATOM 0 HG23 VAL A 54 17.588 0.983 -11.532 1.00 0.00 H new ATOM 826 N GLY A 55 21.737 -0.969 -12.780 1.00 0.00 N ATOM 827 CA GLY A 55 22.971 -1.475 -13.352 1.00 0.00 C ATOM 828 C GLY A 55 23.046 -2.989 -13.322 1.00 0.00 C ATOM 829 O GLY A 55 23.785 -3.597 -14.097 1.00 0.00 O ATOM 0 H GLY A 55 21.845 -0.146 -12.187 1.00 0.00 H new ATOM 0 HA2 GLY A 55 23.058 -1.130 -14.382 1.00 0.00 H new ATOM 0 HA3 GLY A 55 23.818 -1.061 -12.805 1.00 0.00 H new ATOM 833 N HIS A 56 22.280 -3.600 -12.424 1.00 0.00 N ATOM 834 CA HIS A 56 22.263 -5.053 -12.296 1.00 0.00 C ATOM 835 C HIS A 56 21.076 -5.651 -13.045 1.00 0.00 C ATOM 836 O HIS A 56 21.203 -6.681 -13.707 1.00 0.00 O ATOM 837 CB HIS A 56 22.206 -5.455 -10.821 1.00 0.00 C ATOM 838 CG HIS A 56 21.664 -6.834 -10.597 1.00 0.00 C ATOM 839 ND1 HIS A 56 22.428 -7.974 -10.735 1.00 0.00 N ATOM 840 CD2 HIS A 56 20.427 -7.252 -10.241 1.00 0.00 C ATOM 841 CE1 HIS A 56 21.683 -9.033 -10.475 1.00 0.00 C ATOM 842 NE2 HIS A 56 20.465 -8.623 -10.172 1.00 0.00 N ATOM 0 H HIS A 56 21.663 -3.112 -11.775 1.00 0.00 H new ATOM 0 HA HIS A 56 23.181 -5.443 -12.736 1.00 0.00 H new ATOM 0 HB2 HIS A 56 23.208 -5.394 -10.397 1.00 0.00 H new ATOM 0 HB3 HIS A 56 21.587 -4.738 -10.281 1.00 0.00 H new ATOM 0 HD1 HIS A 56 23.414 -7.996 -10.997 1.00 0.00 H new ATOM 0 HD2 HIS A 56 19.570 -6.624 -10.047 1.00 0.00 H new ATOM 0 HE1 HIS A 56 22.014 -10.061 -10.505 1.00 0.00 H new ATOM 850 N MET A 57 19.923 -4.999 -12.935 1.00 0.00 N ATOM 851 CA MET A 57 18.714 -5.467 -13.602 1.00 0.00 C ATOM 852 C MET A 57 18.946 -5.620 -15.102 1.00 0.00 C ATOM 853 O MET A 57 18.302 -6.437 -15.760 1.00 0.00 O ATOM 854 CB MET A 57 17.559 -4.496 -13.350 1.00 0.00 C ATOM 855 CG MET A 57 17.151 -4.404 -11.888 1.00 0.00 C ATOM 856 SD MET A 57 15.757 -5.474 -11.486 1.00 0.00 S ATOM 857 CE MET A 57 16.437 -7.081 -11.892 1.00 0.00 C ATOM 0 H MET A 57 19.801 -4.145 -12.390 1.00 0.00 H new ATOM 0 HA MET A 57 18.456 -6.443 -13.190 1.00 0.00 H new ATOM 0 HB2 MET A 57 17.845 -3.505 -13.702 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.697 -4.808 -13.940 1.00 0.00 H new ATOM 0 HG2 MET A 57 18.001 -4.671 -11.260 1.00 0.00 H new ATOM 0 HG3 MET A 57 16.892 -3.372 -11.652 1.00 0.00 H new ATOM 0 HE1 MET A 57 15.765 -7.861 -11.534 1.00 0.00 H new ATOM 0 HE2 MET A 57 16.549 -7.166 -12.973 1.00 0.00 H new ATOM 0 HE3 MET A 57 17.411 -7.194 -11.417 1.00 0.00 H new ATOM 867 N LYS A 58 19.869 -4.829 -15.637 1.00 0.00 N ATOM 868 CA LYS A 58 20.188 -4.877 -17.060 1.00 0.00 C ATOM 869 C LYS A 58 20.681 -6.263 -17.460 1.00 0.00 C ATOM 870 O LYS A 58 20.823 -6.563 -18.646 1.00 0.00 O ATOM 871 CB LYS A 58 21.248 -3.828 -17.402 1.00 0.00 C ATOM 872 CG LYS A 58 22.420 -3.811 -16.436 1.00 0.00 C ATOM 873 CD LYS A 58 23.410 -2.710 -16.779 1.00 0.00 C ATOM 874 CE LYS A 58 22.730 -1.352 -16.852 1.00 0.00 C ATOM 875 NZ LYS A 58 22.242 -1.049 -18.226 1.00 0.00 N ATOM 0 H LYS A 58 20.410 -4.146 -15.107 1.00 0.00 H new ATOM 0 HA LYS A 58 19.278 -4.659 -17.619 1.00 0.00 H new ATOM 0 HB2 LYS A 58 21.621 -4.015 -18.409 1.00 0.00 H new ATOM 0 HB3 LYS A 58 20.782 -2.843 -17.412 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.053 -3.668 -15.420 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.926 -4.776 -16.459 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.200 -2.683 -16.028 1.00 0.00 H new ATOM 0 HD3 LYS A 58 23.886 -2.932 -17.734 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.892 -1.328 -16.155 1.00 0.00 H new ATOM 0 HE3 LYS A 58 23.430 -0.578 -16.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 22.689 -0.174 -18.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.487 -1.834 -18.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 21.209 -0.926 -18.208 1.00 0.00 H new ATOM 889 N ILE A 59 20.939 -7.105 -16.465 1.00 0.00 N ATOM 890 CA ILE A 59 21.414 -8.460 -16.715 1.00 0.00 C ATOM 891 C ILE A 59 20.249 -9.417 -16.946 1.00 0.00 C ATOM 892 O ILE A 59 20.421 -10.497 -17.512 1.00 0.00 O ATOM 893 CB ILE A 59 22.268 -8.982 -15.544 1.00 0.00 C ATOM 894 CG1 ILE A 59 21.370 -9.547 -14.442 1.00 0.00 C ATOM 895 CG2 ILE A 59 23.153 -7.872 -14.998 1.00 0.00 C ATOM 896 CD1 ILE A 59 22.137 -10.184 -13.304 1.00 0.00 C ATOM 0 H ILE A 59 20.827 -6.873 -15.478 1.00 0.00 H new ATOM 0 HA ILE A 59 22.030 -8.418 -17.613 1.00 0.00 H new ATOM 0 HB ILE A 59 22.909 -9.784 -15.910 1.00 0.00 H new ATOM 0 HG12 ILE A 59 20.747 -8.745 -14.046 1.00 0.00 H new ATOM 0 HG13 ILE A 59 20.698 -10.288 -14.876 1.00 0.00 H new ATOM 0 HG21 ILE A 59 23.750 -8.256 -14.171 1.00 0.00 H new ATOM 0 HG22 ILE A 59 23.814 -7.512 -15.787 1.00 0.00 H new ATOM 0 HG23 ILE A 59 22.530 -7.051 -14.644 1.00 0.00 H new ATOM 0 HD11 ILE A 59 21.436 -10.563 -12.560 1.00 0.00 H new ATOM 0 HD12 ILE A 59 22.739 -11.008 -13.687 1.00 0.00 H new ATOM 0 HD13 ILE A 59 22.789 -9.441 -12.844 1.00 0.00 H new ATOM 908 N HIS A 60 19.062 -9.012 -16.506 1.00 0.00 N ATOM 909 CA HIS A 60 17.866 -9.832 -16.668 1.00 0.00 C ATOM 910 C HIS A 60 16.915 -9.211 -17.685 1.00 0.00 C ATOM 911 O HIS A 60 16.334 -9.910 -18.516 1.00 0.00 O ATOM 912 CB HIS A 60 17.155 -10.004 -15.325 1.00 0.00 C ATOM 913 CG HIS A 60 18.033 -10.568 -14.250 1.00 0.00 C ATOM 914 ND1 HIS A 60 18.656 -11.794 -14.353 1.00 0.00 N ATOM 915 CD2 HIS A 60 18.391 -10.065 -13.046 1.00 0.00 C ATOM 916 CE1 HIS A 60 19.358 -12.021 -13.258 1.00 0.00 C ATOM 917 NE2 HIS A 60 19.215 -10.987 -12.449 1.00 0.00 N ATOM 0 H HIS A 60 18.902 -8.122 -16.035 1.00 0.00 H new ATOM 0 HA HIS A 60 18.173 -10.811 -17.036 1.00 0.00 H new ATOM 0 HB2 HIS A 60 16.772 -9.037 -15.000 1.00 0.00 H new ATOM 0 HB3 HIS A 60 16.294 -10.659 -15.460 1.00 0.00 H new ATOM 0 HD1 HIS A 60 18.586 -12.426 -15.150 1.00 0.00 H new ATOM 0 HD2 HIS A 60 18.086 -9.115 -12.632 1.00 0.00 H new ATOM 0 HE1 HIS A 60 19.949 -12.903 -13.058 1.00 0.00 H new ATOM 1001 N TYR A 66 6.496 -7.642 -25.293 1.00 0.00 N ATOM 1002 CA TYR A 66 5.175 -7.095 -25.006 1.00 0.00 C ATOM 1003 C TYR A 66 5.192 -6.280 -23.716 1.00 0.00 C ATOM 1004 O TYR A 66 5.809 -6.676 -22.728 1.00 0.00 O ATOM 1005 CB TYR A 66 4.145 -8.220 -24.899 1.00 0.00 C ATOM 1006 CG TYR A 66 4.308 -9.293 -25.952 1.00 0.00 C ATOM 1007 CD1 TYR A 66 4.087 -9.015 -27.295 1.00 0.00 C ATOM 1008 CD2 TYR A 66 4.684 -10.584 -25.603 1.00 0.00 C ATOM 1009 CE1 TYR A 66 4.234 -9.992 -28.260 1.00 0.00 C ATOM 1010 CE2 TYR A 66 4.835 -11.568 -26.562 1.00 0.00 C ATOM 1011 CZ TYR A 66 4.609 -11.267 -27.889 1.00 0.00 C ATOM 1012 OH TYR A 66 4.758 -12.243 -28.848 1.00 0.00 O ATOM 0 HA TYR A 66 4.897 -6.435 -25.828 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.220 -8.677 -23.912 1.00 0.00 H new ATOM 0 HB3 TYR A 66 3.145 -7.794 -24.978 1.00 0.00 H new ATOM 0 HD1 TYR A 66 3.795 -8.018 -27.590 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.861 -10.823 -24.565 1.00 0.00 H new ATOM 0 HE1 TYR A 66 4.056 -9.759 -29.300 1.00 0.00 H new ATOM 0 HE2 TYR A 66 5.128 -12.567 -26.274 1.00 0.00 H new ATOM 0 HH TYR A 66 5.027 -13.083 -28.421 1.00 0.00 H new ATOM 1022 N GLU A 67 4.508 -5.140 -23.735 1.00 0.00 N ATOM 1023 CA GLU A 67 4.444 -4.269 -22.567 1.00 0.00 C ATOM 1024 C GLU A 67 3.067 -3.624 -22.444 1.00 0.00 C ATOM 1025 O GLU A 67 2.411 -3.339 -23.447 1.00 0.00 O ATOM 1026 CB GLU A 67 5.521 -3.186 -22.652 1.00 0.00 C ATOM 1027 CG GLU A 67 5.281 -2.014 -21.715 1.00 0.00 C ATOM 1028 CD GLU A 67 6.497 -1.119 -21.575 1.00 0.00 C ATOM 1029 OE1 GLU A 67 7.352 -1.409 -20.713 1.00 0.00 O ATOM 1030 OE2 GLU A 67 6.594 -0.129 -22.330 1.00 0.00 O ATOM 0 H GLU A 67 3.991 -4.798 -24.545 1.00 0.00 H new ATOM 0 HA GLU A 67 4.621 -4.878 -21.681 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.490 -3.630 -22.424 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.573 -2.817 -23.676 1.00 0.00 H new ATOM 0 HG2 GLU A 67 4.442 -1.425 -22.084 1.00 0.00 H new ATOM 0 HG3 GLU A 67 4.998 -2.392 -20.733 1.00 0.00 H new ATOM 1037 N CYS A 68 2.634 -3.398 -21.209 1.00 0.00 N ATOM 1038 CA CYS A 68 1.335 -2.787 -20.953 1.00 0.00 C ATOM 1039 C CYS A 68 1.328 -1.323 -21.381 1.00 0.00 C ATOM 1040 O CYS A 68 2.362 -0.769 -21.751 1.00 0.00 O ATOM 1041 CB CYS A 68 0.980 -2.898 -19.469 1.00 0.00 C ATOM 1042 SG CYS A 68 -0.808 -2.829 -19.124 1.00 0.00 S ATOM 0 H CYS A 68 3.164 -3.629 -20.369 1.00 0.00 H new ATOM 0 HA CYS A 68 0.588 -3.322 -21.540 1.00 0.00 H new ATOM 0 HB2 CYS A 68 1.378 -3.835 -19.080 1.00 0.00 H new ATOM 0 HB3 CYS A 68 1.475 -2.092 -18.927 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.997 -2.593 -17.860 1.00 0.00 H new ATOM 1047 N ASN A 69 0.154 -0.702 -21.328 1.00 0.00 N ATOM 1048 CA ASN A 69 0.011 0.698 -21.711 1.00 0.00 C ATOM 1049 C ASN A 69 -0.264 1.570 -20.489 1.00 0.00 C ATOM 1050 O ASN A 69 0.163 2.724 -20.429 1.00 0.00 O ATOM 1051 CB ASN A 69 -1.118 0.857 -22.730 1.00 0.00 C ATOM 1052 CG ASN A 69 -1.754 2.233 -22.678 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -1.146 3.226 -23.079 1.00 0.00 O ATOM 1054 ND2 ASN A 69 -2.984 2.297 -22.182 1.00 0.00 N ATOM 0 H ASN A 69 -0.712 -1.146 -21.024 1.00 0.00 H new ATOM 0 HA ASN A 69 0.948 1.023 -22.164 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -0.728 0.678 -23.732 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.880 0.100 -22.545 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -3.463 3.195 -22.122 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -3.449 1.448 -21.862 1.00 0.00 H new ATOM 1061 N ILE A 70 -0.978 1.011 -19.519 1.00 0.00 N ATOM 1062 CA ILE A 70 -1.309 1.737 -18.299 1.00 0.00 C ATOM 1063 C ILE A 70 -0.130 1.751 -17.331 1.00 0.00 C ATOM 1064 O ILE A 70 0.407 2.810 -17.006 1.00 0.00 O ATOM 1065 CB ILE A 70 -2.532 1.123 -17.592 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -3.793 1.333 -18.433 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -2.704 1.732 -16.208 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -4.087 0.187 -19.376 1.00 0.00 C ATOM 0 H ILE A 70 -1.339 0.058 -19.554 1.00 0.00 H new ATOM 0 HA ILE A 70 -1.546 2.759 -18.595 1.00 0.00 H new ATOM 0 HB ILE A 70 -2.368 0.051 -17.478 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -4.645 1.473 -17.768 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -3.686 2.251 -19.011 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -3.572 1.288 -15.721 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -1.813 1.536 -15.611 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -2.850 2.808 -16.300 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -4.994 0.404 -19.940 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -3.253 0.060 -20.066 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -4.226 -0.729 -18.803 1.00 0.00 H new ATOM 1080 N CYS A 71 0.268 0.569 -16.875 1.00 0.00 N ATOM 1081 CA CYS A 71 1.384 0.443 -15.946 1.00 0.00 C ATOM 1082 C CYS A 71 2.697 0.243 -16.697 1.00 0.00 C ATOM 1083 O CYS A 71 3.776 0.303 -16.108 1.00 0.00 O ATOM 1084 CB CYS A 71 1.148 -0.727 -14.988 1.00 0.00 C ATOM 1085 SG CYS A 71 0.734 -2.295 -15.818 1.00 0.00 S ATOM 0 H CYS A 71 -0.166 -0.317 -17.134 1.00 0.00 H new ATOM 0 HA CYS A 71 1.452 1.367 -15.371 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.043 -0.874 -14.383 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.340 -0.466 -14.304 1.00 0.00 H new ATOM 0 HG CYS A 71 -0.557 -2.399 -15.930 1.00 0.00 H new ATOM 1090 N ALA A 72 2.597 0.006 -18.000 1.00 0.00 N ATOM 1091 CA ALA A 72 3.776 -0.200 -18.832 1.00 0.00 C ATOM 1092 C ALA A 72 4.572 -1.415 -18.365 1.00 0.00 C ATOM 1093 O ALA A 72 5.789 -1.475 -18.537 1.00 0.00 O ATOM 1094 CB ALA A 72 4.653 1.043 -18.823 1.00 0.00 C ATOM 0 H ALA A 72 1.711 -0.048 -18.503 1.00 0.00 H new ATOM 0 HA ALA A 72 3.442 -0.387 -19.852 1.00 0.00 H new ATOM 0 HB1 ALA A 72 5.530 0.874 -19.449 1.00 0.00 H new ATOM 0 HB2 ALA A 72 4.088 1.890 -19.211 1.00 0.00 H new ATOM 0 HB3 ALA A 72 4.971 1.256 -17.803 1.00 0.00 H new ATOM 1100 N LYS A 73 3.876 -2.380 -17.774 1.00 0.00 N ATOM 1101 CA LYS A 73 4.517 -3.594 -17.282 1.00 0.00 C ATOM 1102 C LYS A 73 5.119 -4.396 -18.432 1.00 0.00 C ATOM 1103 O LYS A 73 4.691 -4.270 -19.579 1.00 0.00 O ATOM 1104 CB LYS A 73 3.508 -4.455 -16.519 1.00 0.00 C ATOM 1105 CG LYS A 73 3.448 -4.150 -15.033 1.00 0.00 C ATOM 1106 CD LYS A 73 2.416 -5.013 -14.327 1.00 0.00 C ATOM 1107 CE LYS A 73 2.551 -4.919 -12.815 1.00 0.00 C ATOM 1108 NZ LYS A 73 3.753 -5.643 -12.318 1.00 0.00 N ATOM 0 H LYS A 73 2.868 -2.345 -17.624 1.00 0.00 H new ATOM 0 HA LYS A 73 5.321 -3.302 -16.606 1.00 0.00 H new ATOM 0 HB2 LYS A 73 2.518 -4.309 -16.951 1.00 0.00 H new ATOM 0 HB3 LYS A 73 3.763 -5.506 -16.655 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.429 -4.316 -14.587 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.205 -3.098 -14.886 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.415 -4.701 -14.624 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.532 -6.051 -14.640 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.611 -3.871 -12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 73 1.659 -5.332 -12.345 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.711 -5.715 -11.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 3.779 -6.597 -12.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.610 -5.123 -12.594 1.00 0.00 H new ATOM 1122 N ARG A 74 6.113 -5.219 -18.116 1.00 0.00 N ATOM 1123 CA ARG A 74 6.773 -6.042 -19.123 1.00 0.00 C ATOM 1124 C ARG A 74 6.422 -7.515 -18.937 1.00 0.00 C ATOM 1125 O ARG A 74 6.494 -8.046 -17.829 1.00 0.00 O ATOM 1126 CB ARG A 74 8.290 -5.855 -19.051 1.00 0.00 C ATOM 1127 CG ARG A 74 8.740 -4.425 -19.305 1.00 0.00 C ATOM 1128 CD ARG A 74 10.215 -4.241 -18.986 1.00 0.00 C ATOM 1129 NE ARG A 74 10.466 -4.222 -17.547 1.00 0.00 N ATOM 1130 CZ ARG A 74 10.736 -5.309 -16.833 1.00 0.00 C ATOM 1131 NH1 ARG A 74 10.791 -6.495 -17.422 1.00 0.00 N ATOM 1132 NH2 ARG A 74 10.953 -5.210 -15.528 1.00 0.00 N ATOM 0 H ARG A 74 6.479 -5.334 -17.171 1.00 0.00 H new ATOM 0 HA ARG A 74 6.421 -5.724 -20.104 1.00 0.00 H new ATOM 0 HB2 ARG A 74 8.640 -6.168 -18.067 1.00 0.00 H new ATOM 0 HB3 ARG A 74 8.764 -6.511 -19.781 1.00 0.00 H new ATOM 0 HG2 ARG A 74 8.557 -4.164 -20.347 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.147 -3.742 -18.697 1.00 0.00 H new ATOM 0 HD2 ARG A 74 10.788 -5.048 -19.443 1.00 0.00 H new ATOM 0 HD3 ARG A 74 10.568 -3.309 -19.428 1.00 0.00 H new ATOM 0 HE ARG A 74 10.432 -3.324 -17.064 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.626 -6.574 -18.425 1.00 0.00 H new ATOM 0 HH12 ARG A 74 10.999 -7.328 -16.872 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.913 -4.299 -15.072 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.160 -6.045 -14.981 1.00 0.00 H new ATOM 1146 N PHE A 75 6.041 -8.169 -20.029 1.00 0.00 N ATOM 1147 CA PHE A 75 5.677 -9.581 -19.987 1.00 0.00 C ATOM 1148 C PHE A 75 6.366 -10.354 -21.108 1.00 0.00 C ATOM 1149 O PHE A 75 6.056 -10.169 -22.284 1.00 0.00 O ATOM 1150 CB PHE A 75 4.159 -9.741 -20.100 1.00 0.00 C ATOM 1151 CG PHE A 75 3.405 -9.133 -18.952 1.00 0.00 C ATOM 1152 CD1 PHE A 75 3.176 -9.859 -17.794 1.00 0.00 C ATOM 1153 CD2 PHE A 75 2.926 -7.835 -19.030 1.00 0.00 C ATOM 1154 CE1 PHE A 75 2.482 -9.301 -16.737 1.00 0.00 C ATOM 1155 CE2 PHE A 75 2.232 -7.272 -17.976 1.00 0.00 C ATOM 1156 CZ PHE A 75 2.010 -8.006 -16.827 1.00 0.00 C ATOM 0 H PHE A 75 5.976 -7.744 -20.954 1.00 0.00 H new ATOM 0 HA PHE A 75 6.009 -9.988 -19.032 1.00 0.00 H new ATOM 0 HB2 PHE A 75 3.822 -9.282 -21.029 1.00 0.00 H new ATOM 0 HB3 PHE A 75 3.917 -10.802 -20.162 1.00 0.00 H new ATOM 0 HD1 PHE A 75 3.544 -10.872 -17.717 1.00 0.00 H new ATOM 0 HD2 PHE A 75 3.097 -7.256 -19.926 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.309 -9.878 -15.840 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.864 -6.259 -18.050 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.469 -7.568 -16.001 1.00 0.00 H new ATOM 1166 N MET A 76 7.302 -11.219 -20.732 1.00 0.00 N ATOM 1167 CA MET A 76 8.034 -12.021 -21.705 1.00 0.00 C ATOM 1168 C MET A 76 7.092 -12.948 -22.467 1.00 0.00 C ATOM 1169 O MET A 76 7.251 -13.158 -23.669 1.00 0.00 O ATOM 1170 CB MET A 76 9.120 -12.842 -21.007 1.00 0.00 C ATOM 1171 CG MET A 76 8.570 -13.922 -20.089 1.00 0.00 C ATOM 1172 SD MET A 76 8.261 -15.475 -20.951 1.00 0.00 S ATOM 1173 CE MET A 76 9.806 -16.334 -20.666 1.00 0.00 C ATOM 0 H MET A 76 7.571 -11.382 -19.762 1.00 0.00 H new ATOM 0 HA MET A 76 8.502 -11.342 -22.418 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.754 -13.307 -21.762 1.00 0.00 H new ATOM 0 HB3 MET A 76 9.754 -12.172 -20.427 1.00 0.00 H new ATOM 0 HG2 MET A 76 9.275 -14.096 -19.276 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.642 -13.571 -19.637 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.770 -17.315 -21.140 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.627 -15.756 -21.090 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.963 -16.455 -19.594 1.00 0.00 H new ATOM 1183 N TRP A 77 6.111 -13.498 -21.760 1.00 0.00 N ATOM 1184 CA TRP A 77 5.143 -14.402 -22.370 1.00 0.00 C ATOM 1185 C TRP A 77 4.131 -13.630 -23.209 1.00 0.00 C ATOM 1186 O TRP A 77 4.132 -12.399 -23.221 1.00 0.00 O ATOM 1187 CB TRP A 77 4.420 -15.212 -21.293 1.00 0.00 C ATOM 1188 CG TRP A 77 5.341 -15.760 -20.244 1.00 0.00 C ATOM 1189 CD1 TRP A 77 5.888 -15.077 -19.196 1.00 0.00 C ATOM 1190 CD2 TRP A 77 5.822 -17.105 -20.145 1.00 0.00 C ATOM 1191 NE1 TRP A 77 6.680 -15.916 -18.450 1.00 0.00 N ATOM 1192 CE2 TRP A 77 6.656 -17.166 -19.011 1.00 0.00 C ATOM 1193 CE3 TRP A 77 5.628 -18.263 -20.902 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 7.295 -18.339 -18.620 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 6.263 -19.427 -20.512 1.00 0.00 C ATOM 1196 CH2 TRP A 77 7.087 -19.459 -19.379 1.00 0.00 C ATOM 0 H TRP A 77 5.965 -13.334 -20.764 1.00 0.00 H new ATOM 0 HA TRP A 77 5.684 -15.085 -23.025 1.00 0.00 H new ATOM 0 HB2 TRP A 77 3.671 -14.581 -20.815 1.00 0.00 H new ATOM 0 HB3 TRP A 77 3.887 -16.037 -21.765 1.00 0.00 H new ATOM 0 HD1 TRP A 77 5.722 -14.031 -18.984 1.00 0.00 H new ATOM 0 HE1 TRP A 77 7.201 -15.651 -17.614 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.994 -18.249 -21.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 7.932 -18.365 -17.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.122 -20.328 -21.091 1.00 0.00 H new ATOM 0 HH2 TRP A 77 7.567 -20.385 -19.099 1.00 0.00 H new ATOM 1207 N ARG A 78 3.268 -14.360 -23.907 1.00 0.00 N ATOM 1208 CA ARG A 78 2.250 -13.743 -24.749 1.00 0.00 C ATOM 1209 C ARG A 78 0.881 -13.803 -24.079 1.00 0.00 C ATOM 1210 O ARG A 78 0.267 -12.772 -23.804 1.00 0.00 O ATOM 1211 CB ARG A 78 2.195 -14.437 -26.111 1.00 0.00 C ATOM 1212 CG ARG A 78 1.346 -13.701 -27.136 1.00 0.00 C ATOM 1213 CD ARG A 78 1.388 -14.389 -28.491 1.00 0.00 C ATOM 1214 NE ARG A 78 0.373 -15.433 -28.606 1.00 0.00 N ATOM 1215 CZ ARG A 78 0.257 -16.233 -29.660 1.00 0.00 C ATOM 1216 NH1 ARG A 78 1.089 -16.109 -30.685 1.00 0.00 N ATOM 1217 NH2 ARG A 78 -0.693 -17.159 -29.691 1.00 0.00 N ATOM 0 H ARG A 78 3.253 -15.380 -23.906 1.00 0.00 H new ATOM 0 HA ARG A 78 2.519 -12.697 -24.893 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.209 -14.540 -26.498 1.00 0.00 H new ATOM 0 HB3 ARG A 78 1.800 -15.444 -25.980 1.00 0.00 H new ATOM 0 HG2 ARG A 78 0.315 -13.648 -26.786 1.00 0.00 H new ATOM 0 HG3 ARG A 78 1.702 -12.676 -27.236 1.00 0.00 H new ATOM 0 HD2 ARG A 78 1.238 -13.650 -29.278 1.00 0.00 H new ATOM 0 HD3 ARG A 78 2.375 -14.824 -28.646 1.00 0.00 H new ATOM 0 HE ARG A 78 -0.283 -15.554 -27.834 1.00 0.00 H new ATOM 0 HH11 ARG A 78 1.820 -15.398 -30.665 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.998 -16.725 -31.493 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -1.335 -17.257 -28.905 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -0.781 -17.773 -30.501 1.00 0.00 H new ATOM 1231 N ASP A 79 0.407 -15.017 -23.821 1.00 0.00 N ATOM 1232 CA ASP A 79 -0.889 -15.212 -23.183 1.00 0.00 C ATOM 1233 C ASP A 79 -1.002 -14.375 -21.912 1.00 0.00 C ATOM 1234 O ASP A 79 -1.987 -13.666 -21.709 1.00 0.00 O ATOM 1235 CB ASP A 79 -1.103 -16.691 -22.855 1.00 0.00 C ATOM 1236 CG ASP A 79 -1.378 -17.524 -24.091 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -2.097 -17.036 -24.987 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -0.875 -18.665 -24.162 1.00 0.00 O ATOM 0 H ASP A 79 0.901 -15.881 -24.044 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.661 -14.887 -23.880 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.220 -17.079 -22.348 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.938 -16.789 -22.161 1.00 0.00 H new ATOM 1243 N SER A 80 0.014 -14.464 -21.060 1.00 0.00 N ATOM 1244 CA SER A 80 0.028 -13.718 -19.806 1.00 0.00 C ATOM 1245 C SER A 80 -0.012 -12.216 -20.067 1.00 0.00 C ATOM 1246 O SER A 80 -0.677 -11.467 -19.351 1.00 0.00 O ATOM 1247 CB SER A 80 1.273 -14.073 -18.991 1.00 0.00 C ATOM 1248 OG SER A 80 1.135 -15.341 -18.375 1.00 0.00 O ATOM 0 H SER A 80 0.838 -15.045 -21.215 1.00 0.00 H new ATOM 0 HA SER A 80 -0.860 -13.994 -19.238 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.148 -14.074 -19.640 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.442 -13.312 -18.229 1.00 0.00 H new ATOM 0 HG SER A 80 1.944 -15.545 -17.862 1.00 0.00 H new ATOM 1254 N PHE A 81 0.705 -11.781 -21.099 1.00 0.00 N ATOM 1255 CA PHE A 81 0.753 -10.368 -21.455 1.00 0.00 C ATOM 1256 C PHE A 81 -0.649 -9.825 -21.717 1.00 0.00 C ATOM 1257 O PHE A 81 -1.146 -8.975 -20.977 1.00 0.00 O ATOM 1258 CB PHE A 81 1.631 -10.162 -22.691 1.00 0.00 C ATOM 1259 CG PHE A 81 1.362 -8.870 -23.409 1.00 0.00 C ATOM 1260 CD1 PHE A 81 1.677 -7.656 -22.819 1.00 0.00 C ATOM 1261 CD2 PHE A 81 0.793 -8.869 -24.672 1.00 0.00 C ATOM 1262 CE1 PHE A 81 1.431 -6.465 -23.477 1.00 0.00 C ATOM 1263 CE2 PHE A 81 0.545 -7.682 -25.335 1.00 0.00 C ATOM 1264 CZ PHE A 81 0.863 -6.479 -24.736 1.00 0.00 C ATOM 0 H PHE A 81 1.260 -12.387 -21.703 1.00 0.00 H new ATOM 0 HA PHE A 81 1.184 -9.822 -20.616 1.00 0.00 H new ATOM 0 HB2 PHE A 81 2.679 -10.191 -22.391 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.474 -10.991 -23.381 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.120 -7.640 -21.834 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.540 -9.807 -25.144 1.00 0.00 H new ATOM 0 HE1 PHE A 81 1.683 -5.526 -23.007 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.103 -7.695 -26.320 1.00 0.00 H new ATOM 0 HZ PHE A 81 0.668 -5.550 -25.251 1.00 0.00 H new ATOM 1274 N HIS A 82 -1.282 -10.322 -22.775 1.00 0.00 N ATOM 1275 CA HIS A 82 -2.627 -9.887 -23.135 1.00 0.00 C ATOM 1276 C HIS A 82 -3.613 -10.184 -22.010 1.00 0.00 C ATOM 1277 O HIS A 82 -4.536 -9.409 -21.759 1.00 0.00 O ATOM 1278 CB HIS A 82 -3.081 -10.576 -24.422 1.00 0.00 C ATOM 1279 CG HIS A 82 -2.151 -10.361 -25.577 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -1.228 -11.301 -25.985 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -2.006 -9.306 -26.412 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -0.555 -10.832 -27.021 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -1.008 -9.624 -27.300 1.00 0.00 N ATOM 0 H HIS A 82 -0.885 -11.026 -23.398 1.00 0.00 H new ATOM 0 HA HIS A 82 -2.603 -8.810 -23.298 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -3.176 -11.646 -24.237 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -4.072 -10.209 -24.691 1.00 0.00 H new ATOM 0 HD1 HIS A 82 -1.087 -12.215 -25.555 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.570 -8.385 -26.385 1.00 0.00 H new ATOM 0 HE1 HIS A 82 0.232 -11.349 -27.550 1.00 0.00 H new ATOM 1291 N ARG A 83 -3.413 -11.312 -21.336 1.00 0.00 N ATOM 1292 CA ARG A 83 -4.286 -11.713 -20.239 1.00 0.00 C ATOM 1293 C ARG A 83 -4.364 -10.618 -19.179 1.00 0.00 C ATOM 1294 O ARG A 83 -5.432 -10.345 -18.631 1.00 0.00 O ATOM 1295 CB ARG A 83 -3.784 -13.013 -19.609 1.00 0.00 C ATOM 1296 CG ARG A 83 -4.461 -13.351 -18.290 1.00 0.00 C ATOM 1297 CD ARG A 83 -3.632 -14.331 -17.474 1.00 0.00 C ATOM 1298 NE ARG A 83 -2.364 -13.748 -17.042 1.00 0.00 N ATOM 1299 CZ ARG A 83 -2.266 -12.818 -16.099 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -3.356 -12.367 -15.492 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -1.077 -12.337 -15.761 1.00 0.00 N ATOM 0 H ARG A 83 -2.654 -11.965 -21.531 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.285 -11.876 -20.643 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.944 -13.832 -20.310 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.709 -12.937 -19.447 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.617 -12.438 -17.715 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.445 -13.778 -18.484 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.202 -14.648 -16.600 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.437 -15.224 -18.068 1.00 0.00 H new ATOM 0 HE ARG A 83 -1.507 -14.073 -17.489 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -4.272 -12.735 -15.749 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.278 -11.653 -14.768 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -0.237 -12.681 -16.225 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -1.003 -11.623 -15.037 1.00 0.00 H new ATOM 1315 N HIS A 84 -3.225 -9.994 -18.895 1.00 0.00 N ATOM 1316 CA HIS A 84 -3.165 -8.929 -17.901 1.00 0.00 C ATOM 1317 C HIS A 84 -3.709 -7.622 -18.470 1.00 0.00 C ATOM 1318 O HIS A 84 -4.734 -7.114 -18.015 1.00 0.00 O ATOM 1319 CB HIS A 84 -1.726 -8.730 -17.422 1.00 0.00 C ATOM 1320 CG HIS A 84 -1.455 -7.355 -16.895 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -1.409 -7.061 -15.548 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -1.213 -6.190 -17.541 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -1.152 -5.775 -15.389 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -1.028 -5.224 -16.583 1.00 0.00 N ATOM 0 H HIS A 84 -2.332 -10.208 -19.339 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.785 -9.222 -17.054 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.508 -9.459 -16.642 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -1.045 -8.934 -18.248 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -1.173 -6.047 -18.611 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -1.059 -5.261 -14.443 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.827 -4.240 -16.764 1.00 0.00 H new ATOM 1332 N VAL A 85 -3.016 -7.083 -19.468 1.00 0.00 N ATOM 1333 CA VAL A 85 -3.430 -5.836 -20.100 1.00 0.00 C ATOM 1334 C VAL A 85 -4.948 -5.756 -20.215 1.00 0.00 C ATOM 1335 O VAL A 85 -5.551 -4.722 -19.924 1.00 0.00 O ATOM 1336 CB VAL A 85 -2.811 -5.684 -21.502 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -3.256 -4.379 -22.144 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -1.293 -5.760 -21.425 1.00 0.00 C ATOM 0 H VAL A 85 -2.165 -7.490 -19.856 1.00 0.00 H new ATOM 0 HA VAL A 85 -3.073 -5.026 -19.464 1.00 0.00 H new ATOM 0 HB VAL A 85 -3.162 -6.506 -22.126 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.809 -4.289 -23.134 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.342 -4.370 -22.235 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -2.937 -3.541 -21.524 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -0.872 -5.651 -22.424 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -0.921 -4.960 -20.785 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.998 -6.724 -21.010 1.00 0.00 H new ATOM 1348 N THR A 86 -5.562 -6.855 -20.642 1.00 0.00 N ATOM 1349 CA THR A 86 -7.011 -6.910 -20.796 1.00 0.00 C ATOM 1350 C THR A 86 -7.717 -6.365 -19.560 1.00 0.00 C ATOM 1351 O THR A 86 -8.632 -5.549 -19.665 1.00 0.00 O ATOM 1352 CB THR A 86 -7.493 -8.349 -21.057 1.00 0.00 C ATOM 1353 OG1 THR A 86 -6.988 -8.816 -22.313 1.00 0.00 O ATOM 1354 CG2 THR A 86 -9.013 -8.418 -21.060 1.00 0.00 C ATOM 0 H THR A 86 -5.079 -7.719 -20.887 1.00 0.00 H new ATOM 0 HA THR A 86 -7.261 -6.289 -21.656 1.00 0.00 H new ATOM 0 HB THR A 86 -7.117 -8.985 -20.256 1.00 0.00 H new ATOM 0 HG1 THR A 86 -6.008 -8.827 -22.288 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.330 -9.444 -21.246 1.00 0.00 H new ATOM 0 HG22 THR A 86 -9.394 -8.090 -20.093 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.405 -7.769 -21.843 1.00 0.00 H new ATOM 1362 N SER A 87 -7.286 -6.822 -18.389 1.00 0.00 N ATOM 1363 CA SER A 87 -7.879 -6.382 -17.131 1.00 0.00 C ATOM 1364 C SER A 87 -7.317 -5.028 -16.709 1.00 0.00 C ATOM 1365 O SER A 87 -8.067 -4.097 -16.414 1.00 0.00 O ATOM 1366 CB SER A 87 -7.625 -7.417 -16.034 1.00 0.00 C ATOM 1367 OG SER A 87 -8.057 -8.705 -16.437 1.00 0.00 O ATOM 0 H SER A 87 -6.528 -7.497 -18.285 1.00 0.00 H new ATOM 0 HA SER A 87 -8.954 -6.278 -17.281 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.562 -7.445 -15.795 1.00 0.00 H new ATOM 0 HB3 SER A 87 -8.148 -7.123 -15.124 1.00 0.00 H new ATOM 0 HG SER A 87 -7.882 -9.348 -15.719 1.00 0.00 H new ATOM 1373 N CYS A 88 -5.993 -4.926 -16.684 1.00 0.00 N ATOM 1374 CA CYS A 88 -5.328 -3.688 -16.298 1.00 0.00 C ATOM 1375 C CYS A 88 -6.016 -2.481 -16.930 1.00 0.00 C ATOM 1376 O CYS A 88 -5.917 -1.361 -16.428 1.00 0.00 O ATOM 1377 CB CYS A 88 -3.856 -3.724 -16.713 1.00 0.00 C ATOM 1378 SG CYS A 88 -2.897 -2.270 -16.179 1.00 0.00 S ATOM 0 H CYS A 88 -5.359 -5.687 -16.927 1.00 0.00 H new ATOM 0 HA CYS A 88 -5.391 -3.594 -15.214 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -3.395 -4.621 -16.300 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -3.797 -3.806 -17.798 1.00 0.00 H new ATOM 0 HG CYS A 88 -3.699 -1.262 -16.002 1.00 0.00 H new ATOM 1383 N THR A 89 -6.715 -2.718 -18.036 1.00 0.00 N ATOM 1384 CA THR A 89 -7.419 -1.652 -18.738 1.00 0.00 C ATOM 1385 C THR A 89 -8.842 -1.495 -18.214 1.00 0.00 C ATOM 1386 O THR A 89 -9.282 -0.388 -17.903 1.00 0.00 O ATOM 1387 CB THR A 89 -7.469 -1.915 -20.254 1.00 0.00 C ATOM 1388 OG1 THR A 89 -6.154 -2.192 -20.747 1.00 0.00 O ATOM 1389 CG2 THR A 89 -8.052 -0.719 -20.993 1.00 0.00 C ATOM 0 H THR A 89 -6.809 -3.639 -18.465 1.00 0.00 H new ATOM 0 HA THR A 89 -6.863 -0.732 -18.555 1.00 0.00 H new ATOM 0 HB THR A 89 -8.111 -2.778 -20.429 1.00 0.00 H new ATOM 0 HG1 THR A 89 -5.949 -3.141 -20.617 1.00 0.00 H new ATOM 0 HG21 THR A 89 -8.077 -0.929 -22.062 1.00 0.00 H new ATOM 0 HG22 THR A 89 -9.065 -0.529 -20.637 1.00 0.00 H new ATOM 0 HG23 THR A 89 -7.433 0.159 -20.810 1.00 0.00 H new ATOM 1397 N LYS A 90 -9.558 -2.610 -18.116 1.00 0.00 N ATOM 1398 CA LYS A 90 -10.932 -2.597 -17.627 1.00 0.00 C ATOM 1399 C LYS A 90 -11.115 -1.537 -16.547 1.00 0.00 C ATOM 1400 O LYS A 90 -12.073 -0.764 -16.578 1.00 0.00 O ATOM 1401 CB LYS A 90 -11.311 -3.974 -17.076 1.00 0.00 C ATOM 1402 CG LYS A 90 -11.544 -5.018 -18.153 1.00 0.00 C ATOM 1403 CD LYS A 90 -12.564 -6.055 -17.714 1.00 0.00 C ATOM 1404 CE LYS A 90 -11.933 -7.117 -16.827 1.00 0.00 C ATOM 1405 NZ LYS A 90 -11.644 -6.599 -15.461 1.00 0.00 N ATOM 0 H LYS A 90 -9.209 -3.535 -18.369 1.00 0.00 H new ATOM 0 HA LYS A 90 -11.587 -2.354 -18.463 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -10.519 -4.320 -16.412 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -12.214 -3.879 -16.473 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.889 -4.530 -19.065 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.602 -5.512 -18.392 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -13.375 -5.564 -17.175 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -13.005 -6.528 -18.592 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.602 -7.975 -16.756 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -11.009 -7.470 -17.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -11.775 -7.361 -14.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -10.663 -6.257 -15.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -12.293 -5.816 -15.242 1.00 0.00 H new ATOM 1419 N SER A 91 -10.191 -1.505 -15.592 1.00 0.00 N ATOM 1420 CA SER A 91 -10.252 -0.540 -14.500 1.00 0.00 C ATOM 1421 C SER A 91 -9.885 0.858 -14.990 1.00 0.00 C ATOM 1422 O SER A 91 -10.589 1.829 -14.712 1.00 0.00 O ATOM 1423 CB SER A 91 -9.312 -0.959 -13.368 1.00 0.00 C ATOM 1424 OG SER A 91 -9.708 -0.379 -12.137 1.00 0.00 O ATOM 0 H SER A 91 -9.391 -2.136 -15.552 1.00 0.00 H new ATOM 0 HA SER A 91 -11.275 -0.518 -14.124 1.00 0.00 H new ATOM 0 HB2 SER A 91 -9.308 -2.045 -13.277 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.293 -0.655 -13.606 1.00 0.00 H new ATOM 0 HG SER A 91 -9.093 -0.663 -11.429 1.00 0.00 H new ATOM 1430 N TYR A 92 -8.779 0.951 -15.719 1.00 0.00 N ATOM 1431 CA TYR A 92 -8.317 2.230 -16.246 1.00 0.00 C ATOM 1432 C TYR A 92 -9.441 2.956 -16.978 1.00 0.00 C ATOM 1433 O TYR A 92 -9.702 4.132 -16.725 1.00 0.00 O ATOM 1434 CB TYR A 92 -7.132 2.018 -17.189 1.00 0.00 C ATOM 1435 CG TYR A 92 -6.661 3.286 -17.865 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -7.343 3.808 -18.958 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -5.535 3.962 -17.412 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -6.917 4.966 -19.579 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -5.103 5.121 -18.026 1.00 0.00 C ATOM 1440 CZ TYR A 92 -5.796 5.619 -19.109 1.00 0.00 C ATOM 1441 OH TYR A 92 -5.368 6.773 -19.725 1.00 0.00 O ATOM 0 H TYR A 92 -8.186 0.157 -15.959 1.00 0.00 H new ATOM 0 HA TYR A 92 -7.998 2.847 -15.406 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.304 1.587 -16.627 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.411 1.292 -17.952 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -8.221 3.299 -19.328 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -4.988 3.574 -16.565 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -7.458 5.358 -20.427 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -4.227 5.635 -17.660 1.00 0.00 H new ATOM 0 HH TYR A 92 -4.567 7.108 -19.271 1.00 0.00 H new ATOM 1451 N GLU A 93 -10.102 2.246 -17.887 1.00 0.00 N ATOM 1452 CA GLU A 93 -11.198 2.823 -18.656 1.00 0.00 C ATOM 1453 C GLU A 93 -12.154 3.593 -17.749 1.00 0.00 C ATOM 1454 O GLU A 93 -12.610 4.683 -18.093 1.00 0.00 O ATOM 1455 CB GLU A 93 -11.960 1.725 -19.402 1.00 0.00 C ATOM 1456 CG GLU A 93 -11.277 1.273 -20.683 1.00 0.00 C ATOM 1457 CD GLU A 93 -12.231 0.586 -21.641 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -12.431 -0.639 -21.503 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -12.777 1.274 -22.529 1.00 0.00 O ATOM 0 H GLU A 93 -9.898 1.272 -18.109 1.00 0.00 H new ATOM 0 HA GLU A 93 -10.773 3.518 -19.380 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.081 0.866 -18.742 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.960 2.087 -19.641 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -10.831 2.136 -21.177 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -10.463 0.592 -20.436 1.00 0.00 H new