USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=29 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 145:sc= 0.89 USER MOD Set 1.2: A 71 CYS SG : rot -37:sc= -2.45 USER MOD Set 1.3: A 84 HIS : no HE2:sc= -4.07! C(o=-5.7!,f=-6.5!) USER MOD Set 1.4: A 88 CYS SG : rot 164:sc= -0.0572 USER MOD Set 2.1: A 51 HIS : no HE2:sc= -4.31! C(o=-8.1!,f=-9.6!) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -3.84! C(o=-8.1!,f=-9.6!) USER MOD Set 3.1: A 40 CYS SG : rot 167:sc= -1.88 USER MOD Set 3.2: A 43 CYS SG : rot -63:sc= -1.37 USER MOD Set 3.3: A 56 HIS : no HE2:sc= -3.85 X(o=-16,f=-16) USER MOD Set 3.4: A 57 MET CE :methyl 173:sc= -4.54! (180deg=-2.78!) USER MOD Set 3.5: A 60 HIS : no HD1:sc= -4.01! C(o=-16!,f=-17!) USER MOD Set 4.1: A 13 CYS SG : rot -172:sc= 0.276 USER MOD Set 4.2: A 15 CYS SG : rot -68:sc= 0.628 USER MOD Set 4.3: A 28 HIS : no HD1:sc= -2.19 X(o=-6.4,f=-6.4) USER MOD Set 4.4: A 31 MET CE :methyl -153:sc= -1.25 (180deg=-1.16) USER MOD Set 4.5: A 32 HIS : no HD1:sc= -3.83! C(o=-6.4!,f=-6.5!) 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+ -124:sc=-6.93e-05 (180deg=-0.802) 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= -0.0873 X(o=-0.087,f=-0.28) 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= -0.149 K(o=-0.15,f=-3.1!) USER MOD Single : A 29 MET CE :methyl -115:sc= -0.119 (180deg=-1.81) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ -148:sc= 0.276 (180deg=-0.777) USER MOD Single : A 46 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0133) 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= -0.0635 (180deg=-0.56) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -2.17! C(o=-2.2!,f=-9.6!) 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= -0.917 K(o=-0.92,f=-1.6) USER MOD Single : A 86 THR OG1 : rot 77:sc= 0.856 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 84:sc= 1.3 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 1.559 6.675 16.684 1.00 0.00 N ATOM 120 CA TYR A 11 2.997 6.716 16.920 1.00 0.00 C ATOM 121 C TYR A 11 3.759 6.909 15.612 1.00 0.00 C ATOM 122 O TYR A 11 3.639 6.123 14.673 1.00 0.00 O ATOM 123 CB TYR A 11 3.459 5.431 17.608 1.00 0.00 C ATOM 124 CG TYR A 11 2.927 5.271 19.014 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.560 5.214 19.258 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.791 5.177 20.098 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.070 5.069 20.542 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.309 5.030 21.385 1.00 0.00 C ATOM 129 CZ TYR A 11 1.948 4.977 21.601 1.00 0.00 C ATOM 130 OH TYR A 11 1.463 4.831 22.881 1.00 0.00 O ATOM 0 HA TYR A 11 3.208 7.565 17.571 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.144 4.576 17.010 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.549 5.416 17.637 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.869 5.284 18.431 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.857 5.220 19.932 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.005 5.028 20.715 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.994 4.957 22.217 1.00 0.00 H new ATOM 0 HH TYR A 11 2.212 4.780 23.511 1.00 0.00 H new ATOM 140 N PRO A 12 4.563 7.981 15.550 1.00 0.00 N ATOM 141 CA PRO A 12 5.362 8.302 14.364 1.00 0.00 C ATOM 142 C PRO A 12 6.501 7.313 14.146 1.00 0.00 C ATOM 143 O PRO A 12 7.261 7.012 15.067 1.00 0.00 O ATOM 144 CB PRO A 12 5.916 9.695 14.676 1.00 0.00 C ATOM 145 CG PRO A 12 5.931 9.771 16.164 1.00 0.00 C ATOM 146 CD PRO A 12 4.755 8.960 16.632 1.00 0.00 C ATOM 0 HA PRO A 12 4.770 8.258 13.450 1.00 0.00 H new ATOM 0 HB2 PRO A 12 6.916 9.825 14.263 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.289 10.476 14.246 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.863 9.374 16.566 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.852 10.804 16.503 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.958 8.471 17.585 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.870 9.580 16.774 1.00 0.00 H new ATOM 154 N CYS A 13 6.615 6.808 12.922 1.00 0.00 N ATOM 155 CA CYS A 13 7.662 5.852 12.582 1.00 0.00 C ATOM 156 C CYS A 13 8.842 6.552 11.916 1.00 0.00 C ATOM 157 O CYS A 13 8.722 7.684 11.449 1.00 0.00 O ATOM 158 CB CYS A 13 7.109 4.767 11.656 1.00 0.00 C ATOM 159 SG CYS A 13 8.210 3.329 11.456 1.00 0.00 S ATOM 0 H CYS A 13 5.994 7.045 12.148 1.00 0.00 H new ATOM 0 HA CYS A 13 8.011 5.389 13.505 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.150 4.426 12.046 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.917 5.204 10.676 1.00 0.00 H new ATOM 0 HG CYS A 13 7.741 2.550 10.527 1.00 0.00 H new ATOM 164 N GLN A 14 9.982 5.869 11.876 1.00 0.00 N ATOM 165 CA GLN A 14 11.184 6.425 11.267 1.00 0.00 C ATOM 166 C GLN A 14 10.942 6.772 9.802 1.00 0.00 C ATOM 167 O GLN A 14 11.437 7.783 9.302 1.00 0.00 O ATOM 168 CB GLN A 14 12.345 5.436 11.383 1.00 0.00 C ATOM 169 CG GLN A 14 13.702 6.050 11.078 1.00 0.00 C ATOM 170 CD GLN A 14 14.838 5.058 11.224 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.723 5.230 12.063 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.821 4.012 10.407 1.00 0.00 N ATOM 0 H GLN A 14 10.098 4.930 12.258 1.00 0.00 H new ATOM 0 HA GLN A 14 11.440 7.340 11.801 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.361 5.024 12.392 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.171 4.603 10.702 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.698 6.445 10.062 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.873 6.894 11.747 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.068 3.909 9.726 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.561 3.312 10.460 1.00 0.00 H new ATOM 181 N CYS A 15 10.178 5.927 9.117 1.00 0.00 N ATOM 182 CA CYS A 15 9.870 6.144 7.709 1.00 0.00 C ATOM 183 C CYS A 15 8.949 7.348 7.532 1.00 0.00 C ATOM 184 O CYS A 15 8.968 8.010 6.495 1.00 0.00 O ATOM 185 CB CYS A 15 9.216 4.896 7.111 1.00 0.00 C ATOM 186 SG CYS A 15 7.636 4.437 7.892 1.00 0.00 S ATOM 0 H CYS A 15 9.761 5.085 9.515 1.00 0.00 H new ATOM 0 HA CYS A 15 10.805 6.344 7.185 1.00 0.00 H new ATOM 0 HB2 CYS A 15 9.048 5.061 6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.909 4.059 7.198 1.00 0.00 H new ATOM 0 HG CYS A 15 7.854 4.037 9.110 1.00 0.00 H new ATOM 191 N GLY A 16 8.144 7.625 8.553 1.00 0.00 N ATOM 192 CA GLY A 16 7.227 8.749 8.490 1.00 0.00 C ATOM 193 C GLY A 16 5.796 8.346 8.783 1.00 0.00 C ATOM 194 O GLY A 16 4.984 9.171 9.205 1.00 0.00 O ATOM 0 H GLY A 16 8.110 7.092 9.422 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.540 9.510 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.278 9.201 7.499 1.00 0.00 H new ATOM 198 N LYS A 17 5.482 7.075 8.557 1.00 0.00 N ATOM 199 CA LYS A 17 4.139 6.563 8.799 1.00 0.00 C ATOM 200 C LYS A 17 3.760 6.702 10.270 1.00 0.00 C ATOM 201 O LYS A 17 4.569 7.133 11.091 1.00 0.00 O ATOM 202 CB LYS A 17 4.045 5.096 8.373 1.00 0.00 C ATOM 203 CG LYS A 17 4.273 4.878 6.888 1.00 0.00 C ATOM 204 CD LYS A 17 4.290 3.399 6.537 1.00 0.00 C ATOM 205 CE LYS A 17 2.899 2.893 6.190 1.00 0.00 C ATOM 206 NZ LYS A 17 2.138 2.484 7.403 1.00 0.00 N ATOM 0 H LYS A 17 6.141 6.380 8.206 1.00 0.00 H new ATOM 0 HA LYS A 17 3.441 7.152 8.205 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.778 4.516 8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.061 4.711 8.641 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.488 5.378 6.321 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.218 5.334 6.593 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.960 3.232 5.694 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.687 2.829 7.377 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.350 3.673 5.663 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.980 2.045 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.825 1.498 7.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.749 2.568 8.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.308 3.100 7.516 1.00 0.00 H new ATOM 220 N SER A 18 2.525 6.332 10.596 1.00 0.00 N ATOM 221 CA SER A 18 2.039 6.417 11.968 1.00 0.00 C ATOM 222 C SER A 18 1.155 5.221 12.307 1.00 0.00 C ATOM 223 O SER A 18 0.273 4.848 11.534 1.00 0.00 O ATOM 224 CB SER A 18 1.258 7.717 12.175 1.00 0.00 C ATOM 225 OG SER A 18 0.266 7.880 11.176 1.00 0.00 O ATOM 0 H SER A 18 1.843 5.971 9.929 1.00 0.00 H new ATOM 0 HA SER A 18 2.902 6.409 12.634 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.790 7.711 13.159 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.943 8.564 12.153 1.00 0.00 H new ATOM 0 HG SER A 18 -0.220 8.717 11.331 1.00 0.00 H new ATOM 231 N PHE A 19 1.400 4.623 13.468 1.00 0.00 N ATOM 232 CA PHE A 19 0.628 3.467 13.910 1.00 0.00 C ATOM 233 C PHE A 19 -0.130 3.780 15.197 1.00 0.00 C ATOM 234 O PHE A 19 0.411 4.396 16.116 1.00 0.00 O ATOM 235 CB PHE A 19 1.548 2.264 14.126 1.00 0.00 C ATOM 236 CG PHE A 19 2.349 1.896 12.910 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.447 2.652 12.532 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.003 0.794 12.144 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.185 2.316 11.413 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.737 0.452 11.024 1.00 0.00 C ATOM 241 CZ PHE A 19 3.830 1.214 10.659 1.00 0.00 C ATOM 0 H PHE A 19 2.127 4.919 14.120 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.096 3.226 13.132 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.230 2.481 14.948 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.947 1.407 14.428 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.729 3.514 13.119 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.149 0.195 12.426 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.038 2.914 11.128 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.457 -0.409 10.435 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.406 0.949 9.785 1.00 0.00 H new ATOM 251 N THR A 20 -1.387 3.350 15.256 1.00 0.00 N ATOM 252 CA THR A 20 -2.221 3.585 16.429 1.00 0.00 C ATOM 253 C THR A 20 -1.561 3.040 17.690 1.00 0.00 C ATOM 254 O THR A 20 -1.774 3.557 18.787 1.00 0.00 O ATOM 255 CB THR A 20 -3.609 2.939 16.269 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.287 3.505 15.141 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.447 3.138 17.523 1.00 0.00 C ATOM 0 H THR A 20 -1.850 2.837 14.505 1.00 0.00 H new ATOM 0 HA THR A 20 -2.340 4.665 16.522 1.00 0.00 H new ATOM 0 HB THR A 20 -3.471 1.870 16.110 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.168 3.087 15.046 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.423 2.673 17.386 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.943 2.680 18.374 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.576 4.204 17.709 1.00 0.00 H new ATOM 265 N HIS A 21 -0.758 1.993 17.528 1.00 0.00 N ATOM 266 CA HIS A 21 -0.066 1.378 18.655 1.00 0.00 C ATOM 267 C HIS A 21 1.446 1.532 18.513 1.00 0.00 C ATOM 268 O HIS A 21 1.962 1.709 17.409 1.00 0.00 O ATOM 269 CB HIS A 21 -0.432 -0.102 18.759 1.00 0.00 C ATOM 270 CG HIS A 21 -1.676 -0.357 19.555 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.899 0.194 20.799 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.767 -1.107 19.275 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.074 -0.208 21.251 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.621 -0.998 20.345 1.00 0.00 N ATOM 0 H HIS A 21 -0.571 1.553 16.627 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.382 1.887 19.566 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.563 -0.507 17.755 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.398 -0.642 19.214 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.935 -1.684 18.377 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.512 0.063 22.200 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.530 -1.453 20.427 1.00 0.00 H new ATOM 282 N LYS A 22 2.151 1.463 19.637 1.00 0.00 N ATOM 283 CA LYS A 22 3.603 1.593 19.639 1.00 0.00 C ATOM 284 C LYS A 22 4.259 0.385 18.979 1.00 0.00 C ATOM 285 O LYS A 22 4.972 0.520 17.985 1.00 0.00 O ATOM 286 CB LYS A 22 4.119 1.748 21.072 1.00 0.00 C ATOM 287 CG LYS A 22 5.603 2.062 21.153 1.00 0.00 C ATOM 288 CD LYS A 22 5.944 2.818 22.426 1.00 0.00 C ATOM 289 CE LYS A 22 7.430 2.737 22.741 1.00 0.00 C ATOM 290 NZ LYS A 22 8.222 3.704 21.932 1.00 0.00 N ATOM 0 H LYS A 22 1.740 1.318 20.559 1.00 0.00 H new ATOM 0 HA LYS A 22 3.864 2.483 19.066 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.560 2.543 21.566 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.920 0.828 21.622 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.175 1.135 21.115 1.00 0.00 H new ATOM 0 HG3 LYS A 22 5.898 2.654 20.287 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.650 3.862 22.320 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.372 2.408 23.258 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.588 2.936 23.801 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.787 1.725 22.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.229 3.618 22.176 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.092 3.499 20.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.899 4.672 22.133 1.00 0.00 H new ATOM 304 N SER A 23 4.011 -0.796 19.538 1.00 0.00 N ATOM 305 CA SER A 23 4.580 -2.028 19.004 1.00 0.00 C ATOM 306 C SER A 23 4.492 -2.052 17.481 1.00 0.00 C ATOM 307 O SER A 23 5.439 -2.447 16.801 1.00 0.00 O ATOM 308 CB SER A 23 3.856 -3.243 19.587 1.00 0.00 C ATOM 309 OG SER A 23 3.952 -3.265 21.001 1.00 0.00 O ATOM 0 H SER A 23 3.420 -0.925 20.360 1.00 0.00 H new ATOM 0 HA SER A 23 5.631 -2.068 19.290 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.807 -3.222 19.291 1.00 0.00 H new ATOM 0 HB3 SER A 23 4.285 -4.157 19.176 1.00 0.00 H new ATOM 0 HG SER A 23 3.480 -4.050 21.349 1.00 0.00 H new ATOM 315 N GLN A 24 3.349 -1.626 16.954 1.00 0.00 N ATOM 316 CA GLN A 24 3.137 -1.599 15.511 1.00 0.00 C ATOM 317 C GLN A 24 4.169 -0.710 14.826 1.00 0.00 C ATOM 318 O GLN A 24 4.618 -1.004 13.718 1.00 0.00 O ATOM 319 CB GLN A 24 1.726 -1.103 15.191 1.00 0.00 C ATOM 320 CG GLN A 24 0.628 -2.030 15.687 1.00 0.00 C ATOM 321 CD GLN A 24 -0.713 -1.746 15.038 1.00 0.00 C ATOM 322 OE1 GLN A 24 -1.513 -0.966 15.556 1.00 0.00 O ATOM 323 NE2 GLN A 24 -0.964 -2.379 13.898 1.00 0.00 N ATOM 0 H GLN A 24 2.556 -1.295 17.504 1.00 0.00 H new ATOM 0 HA GLN A 24 3.252 -2.615 15.133 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.587 -0.118 15.636 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.628 -0.982 14.112 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.912 -3.063 15.488 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.533 -1.929 16.768 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.271 -3.017 13.505 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.849 -2.228 13.415 1.00 0.00 H new ATOM 332 N ARG A 25 4.542 0.377 15.492 1.00 0.00 N ATOM 333 CA ARG A 25 5.520 1.310 14.946 1.00 0.00 C ATOM 334 C ARG A 25 6.929 0.728 15.025 1.00 0.00 C ATOM 335 O ARG A 25 7.716 0.854 14.087 1.00 0.00 O ATOM 336 CB ARG A 25 5.464 2.641 15.699 1.00 0.00 C ATOM 337 CG ARG A 25 6.674 3.528 15.459 1.00 0.00 C ATOM 338 CD ARG A 25 7.763 3.277 16.490 1.00 0.00 C ATOM 339 NE ARG A 25 7.429 3.851 17.790 1.00 0.00 N ATOM 340 CZ ARG A 25 7.597 5.134 18.093 1.00 0.00 C ATOM 341 NH1 ARG A 25 8.093 5.971 17.192 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.269 5.581 19.298 1.00 0.00 N ATOM 0 H ARG A 25 4.182 0.634 16.411 1.00 0.00 H new ATOM 0 HA ARG A 25 5.274 1.483 13.898 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.564 3.180 15.401 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.377 2.441 16.767 1.00 0.00 H new ATOM 0 HG2 ARG A 25 7.068 3.344 14.460 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.372 4.575 15.495 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.920 2.204 16.597 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.702 3.703 16.136 1.00 0.00 H new ATOM 0 HE ARG A 25 7.045 3.233 18.505 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.346 5.630 16.264 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.221 6.955 17.426 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.887 4.940 19.993 1.00 0.00 H new ATOM 0 HH22 ARG A 25 7.398 6.566 19.529 1.00 0.00 H new ATOM 356 N ASP A 26 7.239 0.093 16.149 1.00 0.00 N ATOM 357 CA ASP A 26 8.552 -0.509 16.350 1.00 0.00 C ATOM 358 C ASP A 26 8.819 -1.591 15.309 1.00 0.00 C ATOM 359 O ASP A 26 9.807 -1.532 14.577 1.00 0.00 O ATOM 360 CB ASP A 26 8.655 -1.101 17.757 1.00 0.00 C ATOM 361 CG ASP A 26 10.091 -1.348 18.177 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.827 -2.009 17.415 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.478 -0.879 19.267 1.00 0.00 O ATOM 0 H ASP A 26 6.599 -0.019 16.935 1.00 0.00 H new ATOM 0 HA ASP A 26 9.304 0.272 16.237 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.183 -0.424 18.469 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.102 -2.039 17.795 1.00 0.00 H new ATOM 368 N ARG A 27 7.932 -2.579 15.249 1.00 0.00 N ATOM 369 CA ARG A 27 8.074 -3.676 14.298 1.00 0.00 C ATOM 370 C ARG A 27 8.342 -3.146 12.893 1.00 0.00 C ATOM 371 O ARG A 27 9.073 -3.761 12.116 1.00 0.00 O ATOM 372 CB ARG A 27 6.813 -4.543 14.296 1.00 0.00 C ATOM 373 CG ARG A 27 5.579 -3.822 13.779 1.00 0.00 C ATOM 374 CD ARG A 27 4.396 -4.768 13.645 1.00 0.00 C ATOM 375 NE ARG A 27 3.354 -4.222 12.780 1.00 0.00 N ATOM 376 CZ ARG A 27 3.463 -4.138 11.459 1.00 0.00 C ATOM 377 NH1 ARG A 27 4.563 -4.563 10.854 1.00 0.00 N ATOM 378 NH2 ARG A 27 2.471 -3.628 10.741 1.00 0.00 N ATOM 0 H ARG A 27 7.108 -2.643 15.847 1.00 0.00 H new ATOM 0 HA ARG A 27 8.925 -4.284 14.607 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.991 -5.426 13.683 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.621 -4.892 15.310 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.321 -3.009 14.457 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.798 -3.372 12.811 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.738 -5.722 13.243 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.979 -4.969 14.632 1.00 0.00 H new ATOM 0 HE ARG A 27 2.494 -3.886 13.215 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.328 -4.955 11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 27 4.645 -4.498 9.839 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.623 -3.300 11.203 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.556 -3.564 9.727 1.00 0.00 H new ATOM 392 N HIS A 28 7.745 -2.003 12.573 1.00 0.00 N ATOM 393 CA HIS A 28 7.920 -1.390 11.261 1.00 0.00 C ATOM 394 C HIS A 28 9.316 -0.791 11.122 1.00 0.00 C ATOM 395 O HIS A 28 9.898 -0.794 10.038 1.00 0.00 O ATOM 396 CB HIS A 28 6.863 -0.308 11.035 1.00 0.00 C ATOM 397 CG HIS A 28 6.614 -0.006 9.589 1.00 0.00 C ATOM 398 ND1 HIS A 28 7.062 1.143 8.972 1.00 0.00 N ATOM 399 CD2 HIS A 28 5.961 -0.713 8.637 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.694 1.131 7.703 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.025 0.016 7.474 1.00 0.00 N ATOM 0 H HIS A 28 7.136 -1.482 13.204 1.00 0.00 H new ATOM 0 HA HIS A 28 7.801 -2.167 10.506 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.928 -0.623 11.498 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.177 0.606 11.540 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.480 -1.671 8.767 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.905 1.902 6.977 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.621 -0.260 6.579 1.00 0.00 H new ATOM 409 N MET A 29 9.846 -0.277 12.227 1.00 0.00 N ATOM 410 CA MET A 29 11.174 0.325 12.228 1.00 0.00 C ATOM 411 C MET A 29 12.250 -0.729 11.987 1.00 0.00 C ATOM 412 O MET A 29 13.201 -0.500 11.240 1.00 0.00 O ATOM 413 CB MET A 29 11.433 1.039 13.556 1.00 0.00 C ATOM 414 CG MET A 29 11.002 2.497 13.557 1.00 0.00 C ATOM 415 SD MET A 29 11.667 3.418 14.957 1.00 0.00 S ATOM 416 CE MET A 29 13.403 3.490 14.520 1.00 0.00 C ATOM 0 H MET A 29 9.377 -0.265 13.132 1.00 0.00 H new ATOM 0 HA MET A 29 11.215 1.053 11.418 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.905 0.512 14.351 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.497 0.983 13.788 1.00 0.00 H new ATOM 0 HG2 MET A 29 11.327 2.968 12.630 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.913 2.550 13.577 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.986 2.928 15.250 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.547 3.057 13.530 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.734 4.529 14.513 1.00 0.00 H new ATOM 426 N SER A 30 12.092 -1.885 12.624 1.00 0.00 N ATOM 427 CA SER A 30 13.052 -2.974 12.482 1.00 0.00 C ATOM 428 C SER A 30 13.216 -3.366 11.017 1.00 0.00 C ATOM 429 O SER A 30 14.309 -3.719 10.576 1.00 0.00 O ATOM 430 CB SER A 30 12.605 -4.187 13.299 1.00 0.00 C ATOM 431 OG SER A 30 12.376 -3.834 14.652 1.00 0.00 O ATOM 0 H SER A 30 11.308 -2.092 13.243 1.00 0.00 H new ATOM 0 HA SER A 30 14.015 -2.627 12.858 1.00 0.00 H new ATOM 0 HB2 SER A 30 11.694 -4.603 12.869 1.00 0.00 H new ATOM 0 HB3 SER A 30 13.366 -4.965 13.247 1.00 0.00 H new ATOM 0 HG SER A 30 12.090 -4.626 15.153 1.00 0.00 H new ATOM 437 N MET A 31 12.120 -3.300 10.267 1.00 0.00 N ATOM 438 CA MET A 31 12.141 -3.646 8.851 1.00 0.00 C ATOM 439 C MET A 31 13.061 -2.708 8.075 1.00 0.00 C ATOM 440 O MET A 31 13.778 -3.134 7.169 1.00 0.00 O ATOM 441 CB MET A 31 10.728 -3.590 8.269 1.00 0.00 C ATOM 442 CG MET A 31 9.737 -4.490 8.991 1.00 0.00 C ATOM 443 SD MET A 31 8.240 -4.786 8.030 1.00 0.00 S ATOM 444 CE MET A 31 7.775 -3.110 7.603 1.00 0.00 C ATOM 0 H MET A 31 11.207 -3.010 10.617 1.00 0.00 H new ATOM 0 HA MET A 31 12.525 -4.662 8.757 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.368 -2.562 8.308 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.765 -3.875 7.217 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.215 -5.444 9.215 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.468 -4.036 9.945 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.697 -3.059 7.451 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.060 -2.436 8.411 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.285 -2.813 6.687 1.00 0.00 H new ATOM 454 N HIS A 32 13.034 -1.429 8.436 1.00 0.00 N ATOM 455 CA HIS A 32 13.866 -0.430 7.774 1.00 0.00 C ATOM 456 C HIS A 32 15.336 -0.839 7.806 1.00 0.00 C ATOM 457 O HIS A 32 15.973 -0.987 6.763 1.00 0.00 O ATOM 458 CB HIS A 32 13.690 0.934 8.440 1.00 0.00 C ATOM 459 CG HIS A 32 12.278 1.434 8.418 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.380 1.108 7.423 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.609 2.238 9.277 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.221 1.692 7.670 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.334 2.384 8.790 1.00 0.00 N ATOM 0 H HIS A 32 12.445 -1.060 9.183 1.00 0.00 H new ATOM 0 HA HIS A 32 13.549 -0.361 6.733 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.028 0.870 9.474 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.331 1.659 7.939 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.005 2.682 10.178 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.333 1.617 7.060 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.594 2.937 9.222 1.00 0.00 H new ATOM 582 N CYS A 40 16.249 6.284 -4.831 1.00 0.00 N ATOM 583 CA CYS A 40 15.659 6.968 -5.975 1.00 0.00 C ATOM 584 C CYS A 40 14.142 6.806 -5.983 1.00 0.00 C ATOM 585 O CYS A 40 13.622 5.738 -6.305 1.00 0.00 O ATOM 586 CB CYS A 40 16.248 6.426 -7.279 1.00 0.00 C ATOM 587 SG CYS A 40 15.479 7.110 -8.782 1.00 0.00 S ATOM 0 HA CYS A 40 15.893 8.029 -5.892 1.00 0.00 H new ATOM 0 HB2 CYS A 40 17.316 6.641 -7.300 1.00 0.00 H new ATOM 0 HB3 CYS A 40 16.141 5.341 -7.290 1.00 0.00 H new ATOM 0 HG CYS A 40 16.214 6.823 -9.815 1.00 0.00 H new ATOM 592 N GLY A 41 13.436 7.875 -5.626 1.00 0.00 N ATOM 593 CA GLY A 41 11.986 7.831 -5.598 1.00 0.00 C ATOM 594 C GLY A 41 11.373 8.033 -6.970 1.00 0.00 C ATOM 595 O GLY A 41 10.302 8.626 -7.099 1.00 0.00 O ATOM 0 H GLY A 41 13.843 8.770 -5.356 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.662 6.871 -5.197 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.615 8.601 -4.921 1.00 0.00 H new ATOM 599 N VAL A 42 12.056 7.540 -7.999 1.00 0.00 N ATOM 600 CA VAL A 42 11.573 7.670 -9.369 1.00 0.00 C ATOM 601 C VAL A 42 11.453 6.306 -10.041 1.00 0.00 C ATOM 602 O VAL A 42 10.460 6.016 -10.709 1.00 0.00 O ATOM 603 CB VAL A 42 12.504 8.563 -10.210 1.00 0.00 C ATOM 604 CG1 VAL A 42 11.948 8.742 -11.614 1.00 0.00 C ATOM 605 CG2 VAL A 42 12.703 9.910 -9.532 1.00 0.00 C ATOM 0 H VAL A 42 12.945 7.047 -7.910 1.00 0.00 H new ATOM 0 HA VAL A 42 10.588 8.134 -9.315 1.00 0.00 H new ATOM 0 HB VAL A 42 13.475 8.073 -10.289 1.00 0.00 H new ATOM 0 HG11 VAL A 42 12.619 9.376 -12.193 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.860 7.769 -12.097 1.00 0.00 H new ATOM 0 HG13 VAL A 42 10.965 9.210 -11.559 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.363 10.529 -10.139 1.00 0.00 H new ATOM 0 HG22 VAL A 42 11.740 10.408 -9.421 1.00 0.00 H new ATOM 0 HG23 VAL A 42 13.149 9.760 -8.549 1.00 0.00 H new ATOM 615 N CYS A 43 12.470 5.471 -9.859 1.00 0.00 N ATOM 616 CA CYS A 43 12.480 4.137 -10.447 1.00 0.00 C ATOM 617 C CYS A 43 12.445 3.065 -9.362 1.00 0.00 C ATOM 618 O CYS A 43 11.763 2.050 -9.499 1.00 0.00 O ATOM 619 CB CYS A 43 13.721 3.952 -11.322 1.00 0.00 C ATOM 620 SG CYS A 43 15.279 3.827 -10.386 1.00 0.00 S ATOM 0 H CYS A 43 13.299 5.695 -9.308 1.00 0.00 H new ATOM 0 HA CYS A 43 11.589 4.033 -11.066 1.00 0.00 H new ATOM 0 HB2 CYS A 43 13.598 3.051 -11.923 1.00 0.00 H new ATOM 0 HB3 CYS A 43 13.792 4.790 -12.015 1.00 0.00 H new ATOM 0 HG CYS A 43 15.494 4.940 -9.750 1.00 0.00 H new ATOM 625 N GLY A 44 13.185 3.298 -8.282 1.00 0.00 N ATOM 626 CA GLY A 44 13.224 2.344 -7.189 1.00 0.00 C ATOM 627 C GLY A 44 14.622 1.820 -6.927 1.00 0.00 C ATOM 628 O GLY A 44 14.796 0.677 -6.504 1.00 0.00 O ATOM 0 H GLY A 44 13.758 4.130 -8.145 1.00 0.00 H new ATOM 0 HA2 GLY A 44 12.841 2.816 -6.285 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.563 1.508 -7.417 1.00 0.00 H new ATOM 632 N LYS A 45 15.623 2.656 -7.180 1.00 0.00 N ATOM 633 CA LYS A 45 17.014 2.272 -6.970 1.00 0.00 C ATOM 634 C LYS A 45 17.526 2.795 -5.632 1.00 0.00 C ATOM 635 O LYS A 45 16.784 3.417 -4.871 1.00 0.00 O ATOM 636 CB LYS A 45 17.889 2.805 -8.107 1.00 0.00 C ATOM 637 CG LYS A 45 17.970 1.870 -9.301 1.00 0.00 C ATOM 638 CD LYS A 45 19.311 1.983 -10.007 1.00 0.00 C ATOM 639 CE LYS A 45 20.321 0.994 -9.447 1.00 0.00 C ATOM 640 NZ LYS A 45 20.954 1.496 -8.196 1.00 0.00 N ATOM 0 H LYS A 45 15.497 3.605 -7.531 1.00 0.00 H new ATOM 0 HA LYS A 45 17.067 1.183 -6.959 1.00 0.00 H new ATOM 0 HB2 LYS A 45 17.497 3.767 -8.436 1.00 0.00 H new ATOM 0 HB3 LYS A 45 18.895 2.984 -7.727 1.00 0.00 H new ATOM 0 HG2 LYS A 45 17.817 0.843 -8.971 1.00 0.00 H new ATOM 0 HG3 LYS A 45 17.168 2.103 -10.002 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.178 1.804 -11.074 1.00 0.00 H new ATOM 0 HD3 LYS A 45 19.695 2.997 -9.900 1.00 0.00 H new ATOM 0 HE2 LYS A 45 19.826 0.043 -9.248 1.00 0.00 H new ATOM 0 HE3 LYS A 45 21.093 0.802 -10.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 21.930 1.143 -8.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 20.962 2.536 -8.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 20.412 1.160 -7.374 1.00 0.00 H new ATOM 654 N LYS A 46 18.799 2.541 -5.351 1.00 0.00 N ATOM 655 CA LYS A 46 19.413 2.988 -4.106 1.00 0.00 C ATOM 656 C LYS A 46 20.928 3.091 -4.252 1.00 0.00 C ATOM 657 O LYS A 46 21.518 2.479 -5.142 1.00 0.00 O ATOM 658 CB LYS A 46 19.063 2.027 -2.967 1.00 0.00 C ATOM 659 CG LYS A 46 17.581 1.984 -2.640 1.00 0.00 C ATOM 660 CD LYS A 46 17.329 1.374 -1.272 1.00 0.00 C ATOM 661 CE LYS A 46 17.414 -0.144 -1.314 1.00 0.00 C ATOM 662 NZ LYS A 46 16.191 -0.752 -1.908 1.00 0.00 N ATOM 0 H LYS A 46 19.427 2.027 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 46 19.021 3.978 -3.872 1.00 0.00 H new ATOM 0 HB2 LYS A 46 19.397 1.024 -3.234 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.615 2.319 -2.074 1.00 0.00 H new ATOM 0 HG2 LYS A 46 17.172 2.994 -2.670 1.00 0.00 H new ATOM 0 HG3 LYS A 46 17.057 1.405 -3.400 1.00 0.00 H new ATOM 0 HD2 LYS A 46 18.058 1.761 -0.560 1.00 0.00 H new ATOM 0 HD3 LYS A 46 16.344 1.675 -0.914 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.287 -0.443 -1.895 1.00 0.00 H new ATOM 0 HE3 LYS A 46 17.556 -0.528 -0.304 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.235 -1.787 -1.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.350 -0.394 -1.413 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 16.133 -0.501 -2.916 1.00 0.00 H new ATOM 676 N PHE A 47 21.551 3.867 -3.371 1.00 0.00 N ATOM 677 CA PHE A 47 22.997 4.049 -3.402 1.00 0.00 C ATOM 678 C PHE A 47 23.539 4.336 -2.005 1.00 0.00 C ATOM 679 O PHE A 47 22.856 4.931 -1.171 1.00 0.00 O ATOM 680 CB PHE A 47 23.369 5.191 -4.350 1.00 0.00 C ATOM 681 CG PHE A 47 22.741 5.070 -5.709 1.00 0.00 C ATOM 682 CD1 PHE A 47 21.393 5.338 -5.890 1.00 0.00 C ATOM 683 CD2 PHE A 47 23.497 4.689 -6.806 1.00 0.00 C ATOM 684 CE1 PHE A 47 20.812 5.227 -7.139 1.00 0.00 C ATOM 685 CE2 PHE A 47 22.922 4.577 -8.057 1.00 0.00 C ATOM 686 CZ PHE A 47 21.578 4.847 -8.225 1.00 0.00 C ATOM 0 H PHE A 47 21.077 4.380 -2.627 1.00 0.00 H new ATOM 0 HA PHE A 47 23.446 3.124 -3.764 1.00 0.00 H new ATOM 0 HB2 PHE A 47 23.067 6.138 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 47 24.453 5.222 -4.461 1.00 0.00 H new ATOM 0 HD1 PHE A 47 20.790 5.637 -5.045 1.00 0.00 H new ATOM 0 HD2 PHE A 47 24.549 4.477 -6.681 1.00 0.00 H new ATOM 0 HE1 PHE A 47 19.760 5.437 -7.266 1.00 0.00 H new ATOM 0 HE2 PHE A 47 23.523 4.278 -8.903 1.00 0.00 H new ATOM 0 HZ PHE A 47 21.127 4.761 -9.202 1.00 0.00 H new ATOM 696 N LYS A 48 24.772 3.909 -1.756 1.00 0.00 N ATOM 697 CA LYS A 48 25.409 4.119 -0.461 1.00 0.00 C ATOM 698 C LYS A 48 25.824 5.577 -0.289 1.00 0.00 C ATOM 699 O LYS A 48 25.614 6.171 0.768 1.00 0.00 O ATOM 700 CB LYS A 48 26.631 3.210 -0.316 1.00 0.00 C ATOM 701 CG LYS A 48 27.421 3.451 0.959 1.00 0.00 C ATOM 702 CD LYS A 48 26.778 2.763 2.152 1.00 0.00 C ATOM 703 CE LYS A 48 25.771 3.670 2.842 1.00 0.00 C ATOM 704 NZ LYS A 48 25.498 3.233 4.239 1.00 0.00 N ATOM 0 H LYS A 48 25.351 3.415 -2.435 1.00 0.00 H new ATOM 0 HA LYS A 48 24.685 3.871 0.316 1.00 0.00 H new ATOM 0 HB2 LYS A 48 26.305 2.170 -0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.287 3.358 -1.174 1.00 0.00 H new ATOM 0 HG2 LYS A 48 28.440 3.084 0.832 1.00 0.00 H new ATOM 0 HG3 LYS A 48 27.489 4.522 1.149 1.00 0.00 H new ATOM 0 HD2 LYS A 48 26.281 1.850 1.823 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.550 2.468 2.863 1.00 0.00 H new ATOM 0 HE2 LYS A 48 26.148 4.693 2.848 1.00 0.00 H new ATOM 0 HE3 LYS A 48 24.840 3.677 2.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 24.807 3.876 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 25.114 2.266 4.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.382 3.251 4.787 1.00 0.00 H new ATOM 718 N MET A 49 26.412 6.147 -1.336 1.00 0.00 N ATOM 719 CA MET A 49 26.853 7.537 -1.300 1.00 0.00 C ATOM 720 C MET A 49 25.890 8.433 -2.073 1.00 0.00 C ATOM 721 O MET A 49 25.173 7.971 -2.960 1.00 0.00 O ATOM 722 CB MET A 49 28.262 7.661 -1.883 1.00 0.00 C ATOM 723 CG MET A 49 29.214 6.575 -1.409 1.00 0.00 C ATOM 724 SD MET A 49 30.062 7.012 0.121 1.00 0.00 S ATOM 725 CE MET A 49 31.407 5.829 0.113 1.00 0.00 C ATOM 0 H MET A 49 26.594 5.669 -2.218 1.00 0.00 H new ATOM 0 HA MET A 49 26.867 7.861 -0.260 1.00 0.00 H new ATOM 0 HB2 MET A 49 28.200 7.629 -2.971 1.00 0.00 H new ATOM 0 HB3 MET A 49 28.673 8.635 -1.615 1.00 0.00 H new ATOM 0 HG2 MET A 49 28.658 5.650 -1.260 1.00 0.00 H new ATOM 0 HG3 MET A 49 29.953 6.381 -2.186 1.00 0.00 H new ATOM 0 HE1 MET A 49 32.024 5.973 1.000 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.002 4.817 0.113 1.00 0.00 H new ATOM 0 HE3 MET A 49 32.015 5.976 -0.779 1.00 0.00 H new ATOM 735 N LYS A 50 25.879 9.716 -1.729 1.00 0.00 N ATOM 736 CA LYS A 50 25.005 10.678 -2.390 1.00 0.00 C ATOM 737 C LYS A 50 25.349 10.797 -3.872 1.00 0.00 C ATOM 738 O LYS A 50 24.465 10.781 -4.728 1.00 0.00 O ATOM 739 CB LYS A 50 25.119 12.048 -1.718 1.00 0.00 C ATOM 740 CG LYS A 50 26.516 12.640 -1.776 1.00 0.00 C ATOM 741 CD LYS A 50 26.715 13.478 -3.028 1.00 0.00 C ATOM 742 CE LYS A 50 26.383 14.941 -2.778 1.00 0.00 C ATOM 743 NZ LYS A 50 24.929 15.217 -2.946 1.00 0.00 N ATOM 0 H LYS A 50 26.466 10.114 -0.996 1.00 0.00 H new ATOM 0 HA LYS A 50 23.979 10.320 -2.300 1.00 0.00 H new ATOM 0 HB2 LYS A 50 24.422 12.737 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 50 24.815 11.958 -0.675 1.00 0.00 H new ATOM 0 HG2 LYS A 50 26.688 13.256 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 50 27.253 11.838 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 50 27.748 13.391 -3.365 1.00 0.00 H new ATOM 0 HD3 LYS A 50 26.084 13.092 -3.829 1.00 0.00 H new ATOM 0 HE2 LYS A 50 26.690 15.216 -1.769 1.00 0.00 H new ATOM 0 HE3 LYS A 50 26.953 15.565 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 24.783 16.237 -3.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 24.570 14.698 -3.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 24.417 14.910 -2.095 1.00 0.00 H new ATOM 757 N HIS A 51 26.640 10.916 -4.167 1.00 0.00 N ATOM 758 CA HIS A 51 27.101 11.035 -5.546 1.00 0.00 C ATOM 759 C HIS A 51 26.716 9.801 -6.356 1.00 0.00 C ATOM 760 O HIS A 51 26.319 9.907 -7.517 1.00 0.00 O ATOM 761 CB HIS A 51 28.616 11.233 -5.584 1.00 0.00 C ATOM 762 CG HIS A 51 29.352 10.422 -4.562 1.00 0.00 C ATOM 763 ND1 HIS A 51 29.805 10.945 -3.370 1.00 0.00 N ATOM 764 CD2 HIS A 51 29.712 9.117 -4.560 1.00 0.00 C ATOM 765 CE1 HIS A 51 30.413 9.997 -2.679 1.00 0.00 C ATOM 766 NE2 HIS A 51 30.370 8.878 -3.379 1.00 0.00 N ATOM 0 H HIS A 51 27.385 10.933 -3.470 1.00 0.00 H new ATOM 0 HA HIS A 51 26.618 11.905 -5.991 1.00 0.00 H new ATOM 0 HB2 HIS A 51 28.983 10.972 -6.576 1.00 0.00 H new ATOM 0 HB3 HIS A 51 28.840 12.288 -5.429 1.00 0.00 H new ATOM 0 HD1 HIS A 51 29.689 11.912 -3.068 1.00 0.00 H new ATOM 0 HD2 HIS A 51 29.518 8.398 -5.342 1.00 0.00 H new ATOM 0 HE1 HIS A 51 30.868 10.117 -1.707 1.00 0.00 H new ATOM 774 N HIS A 52 26.838 8.631 -5.737 1.00 0.00 N ATOM 775 CA HIS A 52 26.504 7.376 -6.401 1.00 0.00 C ATOM 776 C HIS A 52 25.073 7.407 -6.932 1.00 0.00 C ATOM 777 O HIS A 52 24.758 6.766 -7.935 1.00 0.00 O ATOM 778 CB HIS A 52 26.677 6.203 -5.437 1.00 0.00 C ATOM 779 CG HIS A 52 28.107 5.820 -5.211 1.00 0.00 C ATOM 780 ND1 HIS A 52 28.572 5.321 -4.012 1.00 0.00 N ATOM 781 CD2 HIS A 52 29.177 5.862 -6.039 1.00 0.00 C ATOM 782 CE1 HIS A 52 29.867 5.076 -4.113 1.00 0.00 C ATOM 783 NE2 HIS A 52 30.258 5.395 -5.333 1.00 0.00 N ATOM 0 H HIS A 52 27.166 8.526 -4.777 1.00 0.00 H new ATOM 0 HA HIS A 52 27.183 7.247 -7.244 1.00 0.00 H new ATOM 0 HB2 HIS A 52 26.223 6.460 -4.480 1.00 0.00 H new ATOM 0 HB3 HIS A 52 26.136 5.341 -5.826 1.00 0.00 H new ATOM 0 HD2 HIS A 52 29.180 6.200 -7.065 1.00 0.00 H new ATOM 0 HE1 HIS A 52 30.498 4.682 -3.330 1.00 0.00 H new ATOM 0 HE2 HIS A 52 31.209 5.309 -5.693 1.00 0.00 H new ATOM 791 N LEU A 53 24.211 8.155 -6.253 1.00 0.00 N ATOM 792 CA LEU A 53 22.814 8.269 -6.655 1.00 0.00 C ATOM 793 C LEU A 53 22.647 9.315 -7.753 1.00 0.00 C ATOM 794 O LEU A 53 21.867 9.131 -8.687 1.00 0.00 O ATOM 795 CB LEU A 53 21.944 8.634 -5.451 1.00 0.00 C ATOM 796 CG LEU A 53 20.530 9.122 -5.767 1.00 0.00 C ATOM 797 CD1 LEU A 53 19.694 7.995 -6.352 1.00 0.00 C ATOM 798 CD2 LEU A 53 19.869 9.687 -4.519 1.00 0.00 C ATOM 0 H LEU A 53 24.455 8.692 -5.421 1.00 0.00 H new ATOM 0 HA LEU A 53 22.495 7.303 -7.047 1.00 0.00 H new ATOM 0 HB2 LEU A 53 21.869 7.760 -4.804 1.00 0.00 H new ATOM 0 HB3 LEU A 53 22.455 9.409 -4.881 1.00 0.00 H new ATOM 0 HG LEU A 53 20.599 9.918 -6.509 1.00 0.00 H new ATOM 0 HD11 LEU A 53 18.691 8.362 -6.570 1.00 0.00 H new ATOM 0 HD12 LEU A 53 20.158 7.637 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 53 19.633 7.177 -5.634 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.863 10.029 -4.763 1.00 0.00 H new ATOM 0 HD22 LEU A 53 19.813 8.912 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 53 20.456 10.525 -4.144 1.00 0.00 H new ATOM 810 N VAL A 54 23.386 10.414 -7.634 1.00 0.00 N ATOM 811 CA VAL A 54 23.323 11.488 -8.617 1.00 0.00 C ATOM 812 C VAL A 54 23.602 10.965 -10.022 1.00 0.00 C ATOM 813 O VAL A 54 22.744 11.027 -10.901 1.00 0.00 O ATOM 814 CB VAL A 54 24.327 12.609 -8.290 1.00 0.00 C ATOM 815 CG1 VAL A 54 24.559 13.491 -9.507 1.00 0.00 C ATOM 816 CG2 VAL A 54 23.838 13.434 -7.109 1.00 0.00 C ATOM 0 H VAL A 54 24.035 10.583 -6.866 1.00 0.00 H new ATOM 0 HA VAL A 54 22.312 11.893 -8.577 1.00 0.00 H new ATOM 0 HB VAL A 54 25.278 12.152 -8.016 1.00 0.00 H new ATOM 0 HG11 VAL A 54 25.271 14.277 -9.256 1.00 0.00 H new ATOM 0 HG12 VAL A 54 24.957 12.888 -10.323 1.00 0.00 H new ATOM 0 HG13 VAL A 54 23.615 13.941 -9.815 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.560 14.222 -6.892 1.00 0.00 H new ATOM 0 HG22 VAL A 54 22.874 13.882 -7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.729 12.791 -6.236 1.00 0.00 H new ATOM 826 N GLY A 55 24.810 10.447 -10.225 1.00 0.00 N ATOM 827 CA GLY A 55 25.181 9.920 -11.525 1.00 0.00 C ATOM 828 C GLY A 55 24.061 9.129 -12.172 1.00 0.00 C ATOM 829 O GLY A 55 24.013 8.993 -13.395 1.00 0.00 O ATOM 0 H GLY A 55 25.537 10.383 -9.513 1.00 0.00 H new ATOM 0 HA2 GLY A 55 25.465 10.744 -12.180 1.00 0.00 H new ATOM 0 HA3 GLY A 55 26.058 9.281 -11.418 1.00 0.00 H new ATOM 833 N HIS A 56 23.158 8.605 -11.350 1.00 0.00 N ATOM 834 CA HIS A 56 22.033 7.822 -11.849 1.00 0.00 C ATOM 835 C HIS A 56 20.794 8.697 -12.016 1.00 0.00 C ATOM 836 O HIS A 56 20.085 8.600 -13.017 1.00 0.00 O ATOM 837 CB HIS A 56 21.729 6.664 -10.898 1.00 0.00 C ATOM 838 CG HIS A 56 20.308 6.194 -10.962 1.00 0.00 C ATOM 839 ND1 HIS A 56 19.838 5.352 -11.948 1.00 0.00 N ATOM 840 CD2 HIS A 56 19.253 6.451 -10.154 1.00 0.00 C ATOM 841 CE1 HIS A 56 18.554 5.113 -11.744 1.00 0.00 C ATOM 842 NE2 HIS A 56 18.175 5.768 -10.662 1.00 0.00 N ATOM 0 H HIS A 56 23.183 8.708 -10.336 1.00 0.00 H new ATOM 0 HA HIS A 56 22.306 7.419 -12.824 1.00 0.00 H new ATOM 0 HB2 HIS A 56 22.390 5.829 -11.132 1.00 0.00 H new ATOM 0 HB3 HIS A 56 21.955 6.974 -9.878 1.00 0.00 H new ATOM 0 HD1 HIS A 56 20.394 4.973 -12.715 1.00 0.00 H new ATOM 0 HD2 HIS A 56 19.258 7.077 -9.274 1.00 0.00 H new ATOM 0 HE1 HIS A 56 17.922 4.488 -12.358 1.00 0.00 H new ATOM 850 N MET A 57 20.540 9.550 -11.029 1.00 0.00 N ATOM 851 CA MET A 57 19.387 10.442 -11.068 1.00 0.00 C ATOM 852 C MET A 57 19.345 11.218 -12.380 1.00 0.00 C ATOM 853 O MET A 57 18.276 11.617 -12.844 1.00 0.00 O ATOM 854 CB MET A 57 19.428 11.415 -9.888 1.00 0.00 C ATOM 855 CG MET A 57 19.329 10.732 -8.534 1.00 0.00 C ATOM 856 SD MET A 57 17.638 10.664 -7.913 1.00 0.00 S ATOM 857 CE MET A 57 16.784 9.976 -9.329 1.00 0.00 C ATOM 0 H MET A 57 21.117 9.642 -10.193 1.00 0.00 H new ATOM 0 HA MET A 57 18.485 9.833 -10.997 1.00 0.00 H new ATOM 0 HB2 MET A 57 20.355 11.986 -9.931 1.00 0.00 H new ATOM 0 HB3 MET A 57 18.610 12.128 -9.987 1.00 0.00 H new ATOM 0 HG2 MET A 57 19.724 9.719 -8.612 1.00 0.00 H new ATOM 0 HG3 MET A 57 19.954 11.263 -7.817 1.00 0.00 H new ATOM 0 HE1 MET A 57 15.751 9.757 -9.060 1.00 0.00 H new ATOM 0 HE2 MET A 57 16.801 10.694 -10.149 1.00 0.00 H new ATOM 0 HE3 MET A 57 17.280 9.057 -9.642 1.00 0.00 H new ATOM 867 N LYS A 58 20.513 11.430 -12.976 1.00 0.00 N ATOM 868 CA LYS A 58 20.610 12.158 -14.236 1.00 0.00 C ATOM 869 C LYS A 58 19.780 11.480 -15.321 1.00 0.00 C ATOM 870 O LYS A 58 19.561 12.046 -16.392 1.00 0.00 O ATOM 871 CB LYS A 58 22.071 12.254 -14.682 1.00 0.00 C ATOM 872 CG LYS A 58 22.943 13.064 -13.738 1.00 0.00 C ATOM 873 CD LYS A 58 24.420 12.871 -14.039 1.00 0.00 C ATOM 874 CE LYS A 58 25.278 13.875 -13.285 1.00 0.00 C ATOM 875 NZ LYS A 58 26.650 13.972 -13.858 1.00 0.00 N ATOM 0 H LYS A 58 21.407 11.108 -12.606 1.00 0.00 H new ATOM 0 HA LYS A 58 20.218 13.163 -14.078 1.00 0.00 H new ATOM 0 HB2 LYS A 58 22.482 11.248 -14.770 1.00 0.00 H new ATOM 0 HB3 LYS A 58 22.110 12.703 -15.675 1.00 0.00 H new ATOM 0 HG2 LYS A 58 22.689 14.121 -13.823 1.00 0.00 H new ATOM 0 HG3 LYS A 58 22.739 12.768 -12.709 1.00 0.00 H new ATOM 0 HD2 LYS A 58 24.719 11.859 -13.767 1.00 0.00 H new ATOM 0 HD3 LYS A 58 24.591 12.977 -15.110 1.00 0.00 H new ATOM 0 HE2 LYS A 58 24.802 14.855 -13.315 1.00 0.00 H new ATOM 0 HE3 LYS A 58 25.342 13.584 -12.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 27.204 14.666 -13.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 27.114 13.043 -13.806 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 26.591 14.275 -14.851 1.00 0.00 H new ATOM 889 N ILE A 59 19.320 10.266 -15.036 1.00 0.00 N ATOM 890 CA ILE A 59 18.512 9.513 -15.986 1.00 0.00 C ATOM 891 C ILE A 59 17.037 9.885 -15.870 1.00 0.00 C ATOM 892 O ILE A 59 16.246 9.620 -16.776 1.00 0.00 O ATOM 893 CB ILE A 59 18.665 7.995 -15.778 1.00 0.00 C ATOM 894 CG1 ILE A 59 17.770 7.523 -14.630 1.00 0.00 C ATOM 895 CG2 ILE A 59 20.119 7.643 -15.502 1.00 0.00 C ATOM 896 CD1 ILE A 59 17.727 6.019 -14.476 1.00 0.00 C ATOM 0 H ILE A 59 19.494 9.783 -14.154 1.00 0.00 H new ATOM 0 HA ILE A 59 18.873 9.773 -16.981 1.00 0.00 H new ATOM 0 HB ILE A 59 18.354 7.485 -16.690 1.00 0.00 H new ATOM 0 HG12 ILE A 59 18.124 7.965 -13.699 1.00 0.00 H new ATOM 0 HG13 ILE A 59 16.758 7.892 -14.794 1.00 0.00 H new ATOM 0 HG21 ILE A 59 20.212 6.567 -15.357 1.00 0.00 H new ATOM 0 HG22 ILE A 59 20.734 7.950 -16.348 1.00 0.00 H new ATOM 0 HG23 ILE A 59 20.454 8.160 -14.603 1.00 0.00 H new ATOM 0 HD11 ILE A 59 17.074 5.757 -13.644 1.00 0.00 H new ATOM 0 HD12 ILE A 59 17.344 5.570 -15.393 1.00 0.00 H new ATOM 0 HD13 ILE A 59 18.732 5.644 -14.281 1.00 0.00 H new ATOM 908 N HIS A 60 16.674 10.502 -14.750 1.00 0.00 N ATOM 909 CA HIS A 60 15.295 10.913 -14.516 1.00 0.00 C ATOM 910 C HIS A 60 15.154 12.429 -14.619 1.00 0.00 C ATOM 911 O HIS A 60 14.144 12.938 -15.105 1.00 0.00 O ATOM 912 CB HIS A 60 14.825 10.437 -13.141 1.00 0.00 C ATOM 913 CG HIS A 60 14.877 8.950 -12.971 1.00 0.00 C ATOM 914 ND1 HIS A 60 14.201 8.075 -13.794 1.00 0.00 N ATOM 915 CD2 HIS A 60 15.533 8.185 -12.067 1.00 0.00 C ATOM 916 CE1 HIS A 60 14.436 6.835 -13.402 1.00 0.00 C ATOM 917 NE2 HIS A 60 15.242 6.874 -12.356 1.00 0.00 N ATOM 0 H HIS A 60 17.316 10.728 -13.990 1.00 0.00 H new ATOM 0 HA HIS A 60 14.671 10.455 -15.283 1.00 0.00 H new ATOM 0 HB2 HIS A 60 15.443 10.904 -12.374 1.00 0.00 H new ATOM 0 HB3 HIS A 60 13.802 10.777 -12.978 1.00 0.00 H new ATOM 0 HD2 HIS A 60 16.167 8.539 -11.268 1.00 0.00 H new ATOM 0 HE1 HIS A 60 14.037 5.942 -13.859 1.00 0.00 H new ATOM 0 HE2 HIS A 60 15.591 6.063 -11.846 1.00 0.00 H new ATOM 1001 N TYR A 66 11.923 27.120 -16.976 1.00 0.00 N ATOM 1002 CA TYR A 66 11.933 28.223 -16.022 1.00 0.00 C ATOM 1003 C TYR A 66 12.128 27.709 -14.598 1.00 0.00 C ATOM 1004 O TYR A 66 12.206 26.503 -14.368 1.00 0.00 O ATOM 1005 CB TYR A 66 10.630 29.017 -16.115 1.00 0.00 C ATOM 1006 CG TYR A 66 10.267 29.422 -17.526 1.00 0.00 C ATOM 1007 CD1 TYR A 66 10.775 30.585 -18.089 1.00 0.00 C ATOM 1008 CD2 TYR A 66 9.415 28.639 -18.296 1.00 0.00 C ATOM 1009 CE1 TYR A 66 10.445 30.959 -19.378 1.00 0.00 C ATOM 1010 CE2 TYR A 66 9.081 29.004 -19.586 1.00 0.00 C ATOM 1011 CZ TYR A 66 9.598 30.165 -20.122 1.00 0.00 C ATOM 1012 OH TYR A 66 9.269 30.532 -21.407 1.00 0.00 O ATOM 0 HA TYR A 66 12.768 28.878 -16.271 1.00 0.00 H new ATOM 0 HB2 TYR A 66 9.820 28.419 -15.698 1.00 0.00 H new ATOM 0 HB3 TYR A 66 10.715 29.913 -15.499 1.00 0.00 H new ATOM 0 HD1 TYR A 66 11.440 31.208 -17.509 1.00 0.00 H new ATOM 0 HD2 TYR A 66 9.007 27.730 -17.879 1.00 0.00 H new ATOM 0 HE1 TYR A 66 10.848 31.868 -19.800 1.00 0.00 H new ATOM 0 HE2 TYR A 66 8.419 28.384 -20.172 1.00 0.00 H new ATOM 0 HH TYR A 66 8.664 29.864 -21.793 1.00 0.00 H new ATOM 1022 N GLU A 67 12.205 28.635 -13.648 1.00 0.00 N ATOM 1023 CA GLU A 67 12.390 28.276 -12.246 1.00 0.00 C ATOM 1024 C GLU A 67 12.121 29.473 -11.338 1.00 0.00 C ATOM 1025 O GLU A 67 12.471 30.607 -11.666 1.00 0.00 O ATOM 1026 CB GLU A 67 13.810 27.756 -12.014 1.00 0.00 C ATOM 1027 CG GLU A 67 14.162 27.581 -10.546 1.00 0.00 C ATOM 1028 CD GLU A 67 15.653 27.677 -10.288 1.00 0.00 C ATOM 1029 OE1 GLU A 67 16.436 27.307 -11.188 1.00 0.00 O ATOM 1030 OE2 GLU A 67 16.037 28.122 -9.186 1.00 0.00 O ATOM 0 H GLU A 67 12.142 29.638 -13.823 1.00 0.00 H new ATOM 0 HA GLU A 67 11.677 27.489 -12.001 1.00 0.00 H new ATOM 0 HB2 GLU A 67 13.925 26.799 -12.523 1.00 0.00 H new ATOM 0 HB3 GLU A 67 14.520 28.447 -12.469 1.00 0.00 H new ATOM 0 HG2 GLU A 67 13.646 28.341 -9.959 1.00 0.00 H new ATOM 0 HG3 GLU A 67 13.799 26.612 -10.202 1.00 0.00 H new ATOM 1037 N CYS A 68 11.495 29.211 -10.196 1.00 0.00 N ATOM 1038 CA CYS A 68 11.176 30.265 -9.239 1.00 0.00 C ATOM 1039 C CYS A 68 12.448 30.915 -8.702 1.00 0.00 C ATOM 1040 O CYS A 68 13.555 30.442 -8.958 1.00 0.00 O ATOM 1041 CB CYS A 68 10.352 29.699 -8.081 1.00 0.00 C ATOM 1042 SG CYS A 68 9.353 30.943 -7.202 1.00 0.00 S ATOM 0 H CYS A 68 11.198 28.278 -9.910 1.00 0.00 H new ATOM 0 HA CYS A 68 10.590 31.025 -9.756 1.00 0.00 H new ATOM 0 HB2 CYS A 68 9.690 28.923 -8.465 1.00 0.00 H new ATOM 0 HB3 CYS A 68 11.025 29.221 -7.370 1.00 0.00 H new ATOM 0 HG CYS A 68 8.231 30.408 -6.821 1.00 0.00 H new ATOM 1047 N ASN A 69 12.281 32.003 -7.957 1.00 0.00 N ATOM 1048 CA ASN A 69 13.415 32.718 -7.384 1.00 0.00 C ATOM 1049 C ASN A 69 13.471 32.527 -5.872 1.00 0.00 C ATOM 1050 O ASN A 69 14.546 32.550 -5.272 1.00 0.00 O ATOM 1051 CB ASN A 69 13.325 34.209 -7.718 1.00 0.00 C ATOM 1052 CG ASN A 69 11.892 34.683 -7.867 1.00 0.00 C ATOM 1053 OD1 ASN A 69 11.104 34.090 -8.603 1.00 0.00 O ATOM 1054 ND2 ASN A 69 11.549 35.757 -7.166 1.00 0.00 N ATOM 0 H ASN A 69 11.371 32.408 -7.736 1.00 0.00 H new ATOM 0 HA ASN A 69 14.328 32.309 -7.818 1.00 0.00 H new ATOM 0 HB2 ASN A 69 13.815 34.785 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 69 13.868 34.405 -8.643 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.599 36.122 -7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 69 12.236 36.217 -6.568 1.00 0.00 H new ATOM 1061 N ILE A 70 12.306 32.337 -5.261 1.00 0.00 N ATOM 1062 CA ILE A 70 12.223 32.139 -3.819 1.00 0.00 C ATOM 1063 C ILE A 70 12.451 30.677 -3.451 1.00 0.00 C ATOM 1064 O ILE A 70 13.437 30.337 -2.797 1.00 0.00 O ATOM 1065 CB ILE A 70 10.858 32.589 -3.267 1.00 0.00 C ATOM 1066 CG1 ILE A 70 10.667 34.092 -3.482 1.00 0.00 C ATOM 1067 CG2 ILE A 70 10.742 32.241 -1.791 1.00 0.00 C ATOM 1068 CD1 ILE A 70 9.998 34.435 -4.795 1.00 0.00 C ATOM 0 H ILE A 70 11.407 32.316 -5.742 1.00 0.00 H new ATOM 0 HA ILE A 70 13.006 32.750 -3.371 1.00 0.00 H new ATOM 0 HB ILE A 70 10.072 32.061 -3.807 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.070 34.495 -2.664 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.639 34.583 -3.440 1.00 0.00 H new ATOM 0 HG21 ILE A 70 9.771 32.566 -1.416 1.00 0.00 H new ATOM 0 HG22 ILE A 70 10.839 31.163 -1.663 1.00 0.00 H new ATOM 0 HG23 ILE A 70 11.533 32.745 -1.235 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.895 35.517 -4.879 1.00 0.00 H new ATOM 0 HD12 ILE A 70 10.604 34.063 -5.621 1.00 0.00 H new ATOM 0 HD13 ILE A 70 9.011 33.973 -4.832 1.00 0.00 H new ATOM 1080 N CYS A 71 11.533 29.815 -3.876 1.00 0.00 N ATOM 1081 CA CYS A 71 11.633 28.389 -3.593 1.00 0.00 C ATOM 1082 C CYS A 71 12.495 27.686 -4.638 1.00 0.00 C ATOM 1083 O CYS A 71 12.780 26.494 -4.523 1.00 0.00 O ATOM 1084 CB CYS A 71 10.241 27.756 -3.555 1.00 0.00 C ATOM 1085 SG CYS A 71 9.287 27.964 -5.093 1.00 0.00 S ATOM 0 H CYS A 71 10.711 30.080 -4.418 1.00 0.00 H new ATOM 0 HA CYS A 71 12.105 28.270 -2.618 1.00 0.00 H new ATOM 0 HB2 CYS A 71 10.343 26.691 -3.345 1.00 0.00 H new ATOM 0 HB3 CYS A 71 9.678 28.191 -2.729 1.00 0.00 H new ATOM 0 HG CYS A 71 9.532 29.135 -5.601 1.00 0.00 H new ATOM 1090 N ALA A 72 12.906 28.433 -5.657 1.00 0.00 N ATOM 1091 CA ALA A 72 13.737 27.883 -6.721 1.00 0.00 C ATOM 1092 C ALA A 72 13.074 26.669 -7.363 1.00 0.00 C ATOM 1093 O ALA A 72 13.751 25.764 -7.851 1.00 0.00 O ATOM 1094 CB ALA A 72 15.110 27.512 -6.181 1.00 0.00 C ATOM 0 H ALA A 72 12.677 29.421 -5.768 1.00 0.00 H new ATOM 0 HA ALA A 72 13.855 28.649 -7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 72 15.719 27.103 -6.987 1.00 0.00 H new ATOM 0 HB2 ALA A 72 15.594 28.401 -5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 72 15.002 26.766 -5.393 1.00 0.00 H new ATOM 1100 N LYS A 73 11.745 26.656 -7.360 1.00 0.00 N ATOM 1101 CA LYS A 73 10.989 25.554 -7.943 1.00 0.00 C ATOM 1102 C LYS A 73 11.171 25.510 -9.457 1.00 0.00 C ATOM 1103 O LYS A 73 11.620 26.481 -10.066 1.00 0.00 O ATOM 1104 CB LYS A 73 9.503 25.691 -7.601 1.00 0.00 C ATOM 1105 CG LYS A 73 9.109 24.992 -6.312 1.00 0.00 C ATOM 1106 CD LYS A 73 7.625 25.148 -6.024 1.00 0.00 C ATOM 1107 CE LYS A 73 7.132 24.089 -5.050 1.00 0.00 C ATOM 1108 NZ LYS A 73 5.671 24.212 -4.789 1.00 0.00 N ATOM 0 H LYS A 73 11.169 27.397 -6.960 1.00 0.00 H new ATOM 0 HA LYS A 73 11.369 24.623 -7.522 1.00 0.00 H new ATOM 0 HB2 LYS A 73 9.253 26.749 -7.522 1.00 0.00 H new ATOM 0 HB3 LYS A 73 8.911 25.284 -8.421 1.00 0.00 H new ATOM 0 HG2 LYS A 73 9.358 23.933 -6.381 1.00 0.00 H new ATOM 0 HG3 LYS A 73 9.686 25.402 -5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.435 26.139 -5.612 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.063 25.077 -6.955 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.347 23.099 -5.451 1.00 0.00 H new ATOM 0 HE3 LYS A 73 7.677 24.178 -4.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.374 23.473 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 5.469 25.148 -4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.148 24.102 -5.681 1.00 0.00 H new ATOM 1122 N ARG A 74 10.818 24.378 -10.058 1.00 0.00 N ATOM 1123 CA ARG A 74 10.943 24.208 -11.501 1.00 0.00 C ATOM 1124 C ARG A 74 9.571 24.052 -12.150 1.00 0.00 C ATOM 1125 O ARG A 74 8.712 23.330 -11.644 1.00 0.00 O ATOM 1126 CB ARG A 74 11.812 22.990 -11.819 1.00 0.00 C ATOM 1127 CG ARG A 74 13.188 23.038 -11.175 1.00 0.00 C ATOM 1128 CD ARG A 74 13.887 21.690 -11.253 1.00 0.00 C ATOM 1129 NE ARG A 74 13.550 20.832 -10.120 1.00 0.00 N ATOM 1130 CZ ARG A 74 14.114 20.941 -8.923 1.00 0.00 C ATOM 1131 NH1 ARG A 74 15.038 21.866 -8.703 1.00 0.00 N ATOM 1132 NH2 ARG A 74 13.755 20.123 -7.942 1.00 0.00 N ATOM 0 H ARG A 74 10.443 23.565 -9.568 1.00 0.00 H new ATOM 0 HA ARG A 74 11.419 25.100 -11.908 1.00 0.00 H new ATOM 0 HB2 ARG A 74 11.296 22.089 -11.486 1.00 0.00 H new ATOM 0 HB3 ARG A 74 11.929 22.910 -12.900 1.00 0.00 H new ATOM 0 HG2 ARG A 74 13.797 23.794 -11.671 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.092 23.340 -10.132 1.00 0.00 H new ATOM 0 HD2 ARG A 74 13.609 21.191 -12.181 1.00 0.00 H new ATOM 0 HD3 ARG A 74 14.966 21.842 -11.284 1.00 0.00 H new ATOM 0 HE ARG A 74 12.843 20.110 -10.256 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.317 22.497 -9.454 1.00 0.00 H new ATOM 0 HH12 ARG A 74 15.469 21.947 -7.782 1.00 0.00 H new ATOM 0 HH21 ARG A 74 13.045 19.409 -8.107 1.00 0.00 H new ATOM 0 HH22 ARG A 74 14.189 20.208 -7.023 1.00 0.00 H new ATOM 1146 N PHE A 75 9.373 24.733 -13.274 1.00 0.00 N ATOM 1147 CA PHE A 75 8.105 24.672 -13.992 1.00 0.00 C ATOM 1148 C PHE A 75 8.327 24.301 -15.455 1.00 0.00 C ATOM 1149 O PHE A 75 9.302 24.727 -16.073 1.00 0.00 O ATOM 1150 CB PHE A 75 7.376 26.013 -13.898 1.00 0.00 C ATOM 1151 CG PHE A 75 6.846 26.313 -12.525 1.00 0.00 C ATOM 1152 CD1 PHE A 75 7.657 26.902 -11.569 1.00 0.00 C ATOM 1153 CD2 PHE A 75 5.537 26.005 -12.191 1.00 0.00 C ATOM 1154 CE1 PHE A 75 7.173 27.180 -10.304 1.00 0.00 C ATOM 1155 CE2 PHE A 75 5.047 26.281 -10.928 1.00 0.00 C ATOM 1156 CZ PHE A 75 5.866 26.868 -9.983 1.00 0.00 C ATOM 0 H PHE A 75 10.074 25.334 -13.707 1.00 0.00 H new ATOM 0 HA PHE A 75 7.490 23.900 -13.529 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.057 26.809 -14.198 1.00 0.00 H new ATOM 0 HB3 PHE A 75 6.548 26.018 -14.607 1.00 0.00 H new ATOM 0 HD1 PHE A 75 8.680 27.147 -11.815 1.00 0.00 H new ATOM 0 HD2 PHE A 75 4.893 25.544 -12.925 1.00 0.00 H new ATOM 0 HE1 PHE A 75 7.816 27.640 -9.568 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.024 26.038 -10.680 1.00 0.00 H new ATOM 0 HZ PHE A 75 5.485 27.083 -8.995 1.00 0.00 H new ATOM 1166 N MET A 76 7.415 23.505 -16.002 1.00 0.00 N ATOM 1167 CA MET A 76 7.510 23.077 -17.394 1.00 0.00 C ATOM 1168 C MET A 76 6.840 24.087 -18.320 1.00 0.00 C ATOM 1169 O MET A 76 7.320 24.343 -19.424 1.00 0.00 O ATOM 1170 CB MET A 76 6.867 21.700 -17.571 1.00 0.00 C ATOM 1171 CG MET A 76 6.741 21.271 -19.024 1.00 0.00 C ATOM 1172 SD MET A 76 5.325 20.192 -19.310 1.00 0.00 S ATOM 1173 CE MET A 76 6.032 19.000 -20.444 1.00 0.00 C ATOM 0 H MET A 76 6.602 23.143 -15.504 1.00 0.00 H new ATOM 0 HA MET A 76 8.566 23.014 -17.658 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.458 20.960 -17.032 1.00 0.00 H new ATOM 0 HB3 MET A 76 5.877 21.709 -17.116 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.651 22.156 -19.654 1.00 0.00 H new ATOM 0 HG3 MET A 76 7.652 20.756 -19.327 1.00 0.00 H new ATOM 0 HE1 MET A 76 5.276 18.263 -20.715 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.378 19.513 -21.342 1.00 0.00 H new ATOM 0 HE3 MET A 76 6.873 18.498 -19.966 1.00 0.00 H new ATOM 1183 N TRP A 77 5.731 24.657 -17.863 1.00 0.00 N ATOM 1184 CA TRP A 77 4.996 25.639 -18.652 1.00 0.00 C ATOM 1185 C TRP A 77 5.281 27.055 -18.162 1.00 0.00 C ATOM 1186 O TRP A 77 5.507 27.276 -16.972 1.00 0.00 O ATOM 1187 CB TRP A 77 3.494 25.356 -18.586 1.00 0.00 C ATOM 1188 CG TRP A 77 3.140 23.943 -18.935 1.00 0.00 C ATOM 1189 CD1 TRP A 77 2.936 22.910 -18.065 1.00 0.00 C ATOM 1190 CD2 TRP A 77 2.951 23.406 -20.249 1.00 0.00 C ATOM 1191 NE1 TRP A 77 2.631 21.764 -18.759 1.00 0.00 N ATOM 1192 CE2 TRP A 77 2.633 22.042 -20.100 1.00 0.00 C ATOM 1193 CE3 TRP A 77 3.017 23.946 -21.536 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 2.384 21.213 -21.190 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 2.770 23.121 -22.617 1.00 0.00 C ATOM 1196 CH2 TRP A 77 2.455 21.767 -22.439 1.00 0.00 C ATOM 0 H TRP A 77 5.321 24.456 -16.951 1.00 0.00 H new ATOM 0 HA TRP A 77 5.329 25.559 -19.687 1.00 0.00 H new ATOM 0 HB2 TRP A 77 3.134 25.575 -17.581 1.00 0.00 H new ATOM 0 HB3 TRP A 77 2.974 26.032 -19.265 1.00 0.00 H new ATOM 0 HD1 TRP A 77 3.004 22.983 -16.990 1.00 0.00 H new ATOM 0 HE1 TRP A 77 2.435 20.854 -18.343 1.00 0.00 H new ATOM 0 HE3 TRP A 77 3.257 24.989 -21.683 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 2.143 20.169 -21.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 2.821 23.527 -23.617 1.00 0.00 H new ATOM 0 HH2 TRP A 77 2.265 21.149 -23.304 1.00 0.00 H new ATOM 1207 N ARG A 78 5.270 28.010 -19.086 1.00 0.00 N ATOM 1208 CA ARG A 78 5.528 29.404 -18.747 1.00 0.00 C ATOM 1209 C ARG A 78 4.364 29.997 -17.959 1.00 0.00 C ATOM 1210 O ARG A 78 4.558 30.601 -16.904 1.00 0.00 O ATOM 1211 CB ARG A 78 5.769 30.223 -20.016 1.00 0.00 C ATOM 1212 CG ARG A 78 6.328 31.611 -19.748 1.00 0.00 C ATOM 1213 CD ARG A 78 6.106 32.539 -20.932 1.00 0.00 C ATOM 1214 NE ARG A 78 6.245 33.945 -20.559 1.00 0.00 N ATOM 1215 CZ ARG A 78 5.838 34.952 -21.324 1.00 0.00 C ATOM 1216 NH1 ARG A 78 5.270 34.709 -22.498 1.00 0.00 N ATOM 1217 NH2 ARG A 78 5.999 36.204 -20.916 1.00 0.00 N ATOM 0 H ARG A 78 5.085 27.844 -20.075 1.00 0.00 H new ATOM 0 HA ARG A 78 6.421 29.441 -18.124 1.00 0.00 H new ATOM 0 HB2 ARG A 78 6.459 29.681 -20.662 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.830 30.318 -20.561 1.00 0.00 H new ATOM 0 HG2 ARG A 78 5.853 32.031 -18.861 1.00 0.00 H new ATOM 0 HG3 ARG A 78 7.395 31.540 -19.535 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.821 32.300 -21.719 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.111 32.370 -21.344 1.00 0.00 H new ATOM 0 HE ARG A 78 6.678 34.165 -19.662 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.145 33.748 -22.815 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.958 35.484 -23.084 1.00 0.00 H new ATOM 0 HH21 ARG A 78 6.436 36.394 -20.014 1.00 0.00 H new ATOM 0 HH22 ARG A 78 5.686 36.976 -21.504 1.00 0.00 H new ATOM 1231 N ASP A 79 3.154 29.821 -18.479 1.00 0.00 N ATOM 1232 CA ASP A 79 1.958 30.338 -17.825 1.00 0.00 C ATOM 1233 C ASP A 79 1.921 29.927 -16.356 1.00 0.00 C ATOM 1234 O ASP A 79 1.688 30.754 -15.475 1.00 0.00 O ATOM 1235 CB ASP A 79 0.702 29.836 -18.540 1.00 0.00 C ATOM 1236 CG ASP A 79 0.790 28.367 -18.901 1.00 0.00 C ATOM 1237 OD1 ASP A 79 1.663 28.008 -19.719 1.00 0.00 O ATOM 1238 OD2 ASP A 79 -0.014 27.575 -18.366 1.00 0.00 O ATOM 0 H ASP A 79 2.976 29.324 -19.352 1.00 0.00 H new ATOM 0 HA ASP A 79 1.986 31.426 -17.879 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.166 29.999 -17.901 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.545 30.421 -19.446 1.00 0.00 H new ATOM 1243 N SER A 80 2.151 28.643 -16.101 1.00 0.00 N ATOM 1244 CA SER A 80 2.139 28.120 -14.739 1.00 0.00 C ATOM 1245 C SER A 80 3.313 28.672 -13.936 1.00 0.00 C ATOM 1246 O SER A 80 3.197 28.916 -12.734 1.00 0.00 O ATOM 1247 CB SER A 80 2.192 26.591 -14.757 1.00 0.00 C ATOM 1248 OG SER A 80 0.896 26.038 -14.906 1.00 0.00 O ATOM 0 H SER A 80 2.348 27.946 -16.819 1.00 0.00 H new ATOM 0 HA SER A 80 1.212 28.438 -14.261 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.830 26.256 -15.575 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.641 26.229 -13.832 1.00 0.00 H new ATOM 0 HG SER A 80 0.957 25.060 -14.916 1.00 0.00 H new ATOM 1254 N PHE A 81 4.443 28.866 -14.607 1.00 0.00 N ATOM 1255 CA PHE A 81 5.639 29.388 -13.957 1.00 0.00 C ATOM 1256 C PHE A 81 5.361 30.744 -13.315 1.00 0.00 C ATOM 1257 O PHE A 81 5.388 30.882 -12.092 1.00 0.00 O ATOM 1258 CB PHE A 81 6.781 29.513 -14.967 1.00 0.00 C ATOM 1259 CG PHE A 81 7.805 30.546 -14.590 1.00 0.00 C ATOM 1260 CD1 PHE A 81 8.595 30.377 -13.464 1.00 0.00 C ATOM 1261 CD2 PHE A 81 7.976 31.684 -15.360 1.00 0.00 C ATOM 1262 CE1 PHE A 81 9.538 31.325 -13.114 1.00 0.00 C ATOM 1263 CE2 PHE A 81 8.918 32.635 -15.015 1.00 0.00 C ATOM 1264 CZ PHE A 81 9.699 32.456 -13.890 1.00 0.00 C ATOM 0 H PHE A 81 4.556 28.669 -15.602 1.00 0.00 H new ATOM 0 HA PHE A 81 5.931 28.688 -13.174 1.00 0.00 H new ATOM 0 HB2 PHE A 81 7.273 28.546 -15.069 1.00 0.00 H new ATOM 0 HB3 PHE A 81 6.366 29.764 -15.943 1.00 0.00 H new ATOM 0 HD1 PHE A 81 8.472 29.495 -12.853 1.00 0.00 H new ATOM 0 HD2 PHE A 81 7.367 31.830 -16.240 1.00 0.00 H new ATOM 0 HE1 PHE A 81 10.148 31.181 -12.235 1.00 0.00 H new ATOM 0 HE2 PHE A 81 9.043 33.518 -15.625 1.00 0.00 H new ATOM 0 HZ PHE A 81 10.434 33.199 -13.618 1.00 0.00 H new ATOM 1274 N HIS A 82 5.094 31.744 -14.150 1.00 0.00 N ATOM 1275 CA HIS A 82 4.811 33.090 -13.665 1.00 0.00 C ATOM 1276 C HIS A 82 3.617 33.086 -12.716 1.00 0.00 C ATOM 1277 O HIS A 82 3.645 33.727 -11.666 1.00 0.00 O ATOM 1278 CB HIS A 82 4.541 34.031 -14.840 1.00 0.00 C ATOM 1279 CG HIS A 82 5.785 34.492 -15.536 1.00 0.00 C ATOM 1280 ND1 HIS A 82 6.049 34.219 -16.862 1.00 0.00 N ATOM 1281 CD2 HIS A 82 6.838 35.212 -15.084 1.00 0.00 C ATOM 1282 CE1 HIS A 82 7.212 34.750 -17.195 1.00 0.00 C ATOM 1283 NE2 HIS A 82 7.711 35.359 -16.134 1.00 0.00 N ATOM 0 H HIS A 82 5.068 31.647 -15.165 1.00 0.00 H new ATOM 0 HA HIS A 82 5.685 33.444 -13.118 1.00 0.00 H new ATOM 0 HB2 HIS A 82 3.898 33.525 -15.560 1.00 0.00 H new ATOM 0 HB3 HIS A 82 3.992 34.901 -14.479 1.00 0.00 H new ATOM 0 HD2 HIS A 82 6.968 35.599 -14.084 1.00 0.00 H new ATOM 0 HE1 HIS A 82 7.676 34.696 -18.169 1.00 0.00 H new ATOM 0 HE2 HIS A 82 8.600 35.857 -16.100 1.00 0.00 H new ATOM 1291 N ARG A 83 2.570 32.360 -13.094 1.00 0.00 N ATOM 1292 CA ARG A 83 1.365 32.274 -12.277 1.00 0.00 C ATOM 1293 C ARG A 83 1.717 32.018 -10.815 1.00 0.00 C ATOM 1294 O ARG A 83 1.156 32.640 -9.912 1.00 0.00 O ATOM 1295 CB ARG A 83 0.450 31.163 -12.795 1.00 0.00 C ATOM 1296 CG ARG A 83 -0.734 30.877 -11.886 1.00 0.00 C ATOM 1297 CD ARG A 83 -1.594 29.747 -12.432 1.00 0.00 C ATOM 1298 NE ARG A 83 -2.554 30.222 -13.426 1.00 0.00 N ATOM 1299 CZ ARG A 83 -3.170 29.424 -14.291 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -2.929 28.121 -14.285 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -4.031 29.931 -15.165 1.00 0.00 N ATOM 0 H ARG A 83 2.532 31.823 -13.960 1.00 0.00 H new ATOM 0 HA ARG A 83 0.841 33.227 -12.345 1.00 0.00 H new ATOM 0 HB2 ARG A 83 0.081 31.439 -13.783 1.00 0.00 H new ATOM 0 HB3 ARG A 83 1.033 30.250 -12.916 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -0.375 30.615 -10.891 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.339 31.778 -11.780 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -0.953 28.988 -12.880 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -2.128 29.269 -11.611 1.00 0.00 H new ATOM 0 HE ARG A 83 -2.762 31.220 -13.457 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -2.269 27.728 -13.615 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.404 27.511 -14.951 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -4.220 30.933 -15.172 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -4.504 29.318 -15.829 1.00 0.00 H new ATOM 1315 N HIS A 84 2.648 31.097 -10.588 1.00 0.00 N ATOM 1316 CA HIS A 84 3.075 30.759 -9.235 1.00 0.00 C ATOM 1317 C HIS A 84 4.079 31.780 -8.710 1.00 0.00 C ATOM 1318 O HIS A 84 3.868 32.392 -7.663 1.00 0.00 O ATOM 1319 CB HIS A 84 3.691 29.360 -9.207 1.00 0.00 C ATOM 1320 CG HIS A 84 4.671 29.159 -8.092 1.00 0.00 C ATOM 1321 ND1 HIS A 84 4.393 28.404 -6.973 1.00 0.00 N ATOM 1322 CD2 HIS A 84 5.934 29.618 -7.930 1.00 0.00 C ATOM 1323 CE1 HIS A 84 5.442 28.409 -6.169 1.00 0.00 C ATOM 1324 NE2 HIS A 84 6.391 29.138 -6.728 1.00 0.00 N ATOM 0 H HIS A 84 3.121 30.572 -11.323 1.00 0.00 H new ATOM 0 HA HIS A 84 2.197 30.775 -8.589 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.893 28.623 -9.116 1.00 0.00 H new ATOM 0 HB3 HIS A 84 4.191 29.173 -10.157 1.00 0.00 H new ATOM 0 HD1 HIS A 84 3.515 27.917 -6.793 1.00 0.00 H new ATOM 0 HD2 HIS A 84 6.481 30.245 -8.619 1.00 0.00 H new ATOM 0 HE1 HIS A 84 5.511 27.903 -5.217 1.00 0.00 H new ATOM 1332 N VAL A 85 5.173 31.959 -9.444 1.00 0.00 N ATOM 1333 CA VAL A 85 6.210 32.907 -9.053 1.00 0.00 C ATOM 1334 C VAL A 85 5.601 34.213 -8.555 1.00 0.00 C ATOM 1335 O VAL A 85 6.050 34.779 -7.558 1.00 0.00 O ATOM 1336 CB VAL A 85 7.162 33.211 -10.225 1.00 0.00 C ATOM 1337 CG1 VAL A 85 8.293 34.122 -9.771 1.00 0.00 C ATOM 1338 CG2 VAL A 85 7.711 31.921 -10.814 1.00 0.00 C ATOM 0 H VAL A 85 5.364 31.460 -10.313 1.00 0.00 H new ATOM 0 HA VAL A 85 6.776 32.443 -8.246 1.00 0.00 H new ATOM 0 HB VAL A 85 6.599 33.728 -11.002 1.00 0.00 H new ATOM 0 HG11 VAL A 85 8.956 34.326 -10.612 1.00 0.00 H new ATOM 0 HG12 VAL A 85 7.879 35.059 -9.400 1.00 0.00 H new ATOM 0 HG13 VAL A 85 8.856 33.634 -8.975 1.00 0.00 H new ATOM 0 HG21 VAL A 85 8.382 32.155 -11.641 1.00 0.00 H new ATOM 0 HG22 VAL A 85 8.259 31.375 -10.046 1.00 0.00 H new ATOM 0 HG23 VAL A 85 6.887 31.307 -11.178 1.00 0.00 H new ATOM 1348 N THR A 86 4.575 34.686 -9.255 1.00 0.00 N ATOM 1349 CA THR A 86 3.905 35.926 -8.885 1.00 0.00 C ATOM 1350 C THR A 86 3.440 35.888 -7.433 1.00 0.00 C ATOM 1351 O THR A 86 3.583 36.866 -6.700 1.00 0.00 O ATOM 1352 CB THR A 86 2.691 36.202 -9.793 1.00 0.00 C ATOM 1353 OG1 THR A 86 3.129 36.445 -11.134 1.00 0.00 O ATOM 1354 CG2 THR A 86 1.898 37.397 -9.288 1.00 0.00 C ATOM 0 H THR A 86 4.190 34.229 -10.082 1.00 0.00 H new ATOM 0 HA THR A 86 4.633 36.727 -9.010 1.00 0.00 H new ATOM 0 HB THR A 86 2.044 35.325 -9.776 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.366 35.595 -11.560 1.00 0.00 H new ATOM 0 HG21 THR A 86 1.046 37.572 -9.945 1.00 0.00 H new ATOM 0 HG22 THR A 86 1.542 37.197 -8.278 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.537 38.280 -9.279 1.00 0.00 H new ATOM 1362 N SER A 87 2.885 34.751 -7.024 1.00 0.00 N ATOM 1363 CA SER A 87 2.396 34.586 -5.660 1.00 0.00 C ATOM 1364 C SER A 87 3.543 34.262 -4.708 1.00 0.00 C ATOM 1365 O SER A 87 3.670 34.865 -3.642 1.00 0.00 O ATOM 1366 CB SER A 87 1.343 33.479 -5.604 1.00 0.00 C ATOM 1367 OG SER A 87 0.253 33.767 -6.463 1.00 0.00 O ATOM 0 H SER A 87 2.763 33.931 -7.618 1.00 0.00 H new ATOM 0 HA SER A 87 1.941 35.526 -5.347 1.00 0.00 H new ATOM 0 HB2 SER A 87 1.794 32.529 -5.890 1.00 0.00 H new ATOM 0 HB3 SER A 87 0.984 33.366 -4.581 1.00 0.00 H new ATOM 0 HG SER A 87 -0.405 33.043 -6.410 1.00 0.00 H new ATOM 1373 N CYS A 88 4.378 33.305 -5.101 1.00 0.00 N ATOM 1374 CA CYS A 88 5.515 32.898 -4.284 1.00 0.00 C ATOM 1375 C CYS A 88 6.342 34.109 -3.862 1.00 0.00 C ATOM 1376 O CYS A 88 7.124 34.041 -2.913 1.00 0.00 O ATOM 1377 CB CYS A 88 6.393 31.909 -5.053 1.00 0.00 C ATOM 1378 SG CYS A 88 7.578 31.000 -4.009 1.00 0.00 S ATOM 0 H CYS A 88 4.288 32.797 -5.981 1.00 0.00 H new ATOM 0 HA CYS A 88 5.132 32.412 -3.387 1.00 0.00 H new ATOM 0 HB2 CYS A 88 5.751 31.192 -5.565 1.00 0.00 H new ATOM 0 HB3 CYS A 88 6.944 32.450 -5.822 1.00 0.00 H new ATOM 0 HG CYS A 88 8.022 29.964 -4.657 1.00 0.00 H new ATOM 1383 N THR A 89 6.164 35.218 -4.574 1.00 0.00 N ATOM 1384 CA THR A 89 6.894 36.443 -4.274 1.00 0.00 C ATOM 1385 C THR A 89 6.142 37.296 -3.258 1.00 0.00 C ATOM 1386 O THR A 89 6.702 37.707 -2.242 1.00 0.00 O ATOM 1387 CB THR A 89 7.138 37.277 -5.547 1.00 0.00 C ATOM 1388 OG1 THR A 89 7.857 36.499 -6.511 1.00 0.00 O ATOM 1389 CG2 THR A 89 7.919 38.542 -5.223 1.00 0.00 C ATOM 0 H THR A 89 5.521 35.292 -5.362 1.00 0.00 H new ATOM 0 HA THR A 89 7.854 36.144 -3.854 1.00 0.00 H new ATOM 0 HB THR A 89 6.171 37.563 -5.960 1.00 0.00 H new ATOM 0 HG1 THR A 89 7.229 35.942 -7.016 1.00 0.00 H new ATOM 0 HG21 THR A 89 8.079 39.115 -6.137 1.00 0.00 H new ATOM 0 HG22 THR A 89 7.356 39.145 -4.511 1.00 0.00 H new ATOM 0 HG23 THR A 89 8.882 38.274 -4.789 1.00 0.00 H new ATOM 1397 N LYS A 90 4.871 37.559 -3.539 1.00 0.00 N ATOM 1398 CA LYS A 90 4.040 38.362 -2.649 1.00 0.00 C ATOM 1399 C LYS A 90 4.422 38.128 -1.191 1.00 0.00 C ATOM 1400 O LYS A 90 4.767 39.066 -0.472 1.00 0.00 O ATOM 1401 CB LYS A 90 2.561 38.029 -2.859 1.00 0.00 C ATOM 1402 CG LYS A 90 1.897 38.868 -3.937 1.00 0.00 C ATOM 1403 CD LYS A 90 0.469 38.418 -4.193 1.00 0.00 C ATOM 1404 CE LYS A 90 0.026 38.747 -5.610 1.00 0.00 C ATOM 1405 NZ LYS A 90 -1.437 38.539 -5.797 1.00 0.00 N ATOM 0 H LYS A 90 4.393 37.228 -4.377 1.00 0.00 H new ATOM 0 HA LYS A 90 4.207 39.413 -2.887 1.00 0.00 H new ATOM 0 HB2 LYS A 90 2.468 36.975 -3.121 1.00 0.00 H new ATOM 0 HB3 LYS A 90 2.028 38.172 -1.919 1.00 0.00 H new ATOM 0 HG2 LYS A 90 1.901 39.916 -3.638 1.00 0.00 H new ATOM 0 HG3 LYS A 90 2.473 38.798 -4.860 1.00 0.00 H new ATOM 0 HD2 LYS A 90 0.390 37.344 -4.026 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -0.199 38.902 -3.480 1.00 0.00 H new ATOM 0 HE2 LYS A 90 0.277 39.783 -5.838 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.575 38.123 -6.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -1.699 38.774 -6.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -1.674 37.545 -5.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -1.961 39.153 -5.141 1.00 0.00 H new ATOM 1419 N SER A 91 4.359 36.872 -0.761 1.00 0.00 N ATOM 1420 CA SER A 91 4.697 36.516 0.612 1.00 0.00 C ATOM 1421 C SER A 91 6.099 36.999 0.970 1.00 0.00 C ATOM 1422 O SER A 91 6.308 37.609 2.019 1.00 0.00 O ATOM 1423 CB SER A 91 4.602 35.001 0.806 1.00 0.00 C ATOM 1424 OG SER A 91 3.252 34.583 0.905 1.00 0.00 O ATOM 0 H SER A 91 4.077 36.084 -1.344 1.00 0.00 H new ATOM 0 HA SER A 91 3.983 37.006 1.274 1.00 0.00 H new ATOM 0 HB2 SER A 91 5.083 34.493 -0.030 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.142 34.712 1.707 1.00 0.00 H new ATOM 0 HG SER A 91 3.219 33.611 1.027 1.00 0.00 H new ATOM 1430 N TYR A 92 7.055 36.723 0.091 1.00 0.00 N ATOM 1431 CA TYR A 92 8.438 37.127 0.314 1.00 0.00 C ATOM 1432 C TYR A 92 8.544 38.640 0.481 1.00 0.00 C ATOM 1433 O TYR A 92 9.242 39.130 1.367 1.00 0.00 O ATOM 1434 CB TYR A 92 9.320 36.668 -0.849 1.00 0.00 C ATOM 1435 CG TYR A 92 10.767 37.083 -0.711 1.00 0.00 C ATOM 1436 CD1 TYR A 92 11.135 38.422 -0.763 1.00 0.00 C ATOM 1437 CD2 TYR A 92 11.768 36.135 -0.531 1.00 0.00 C ATOM 1438 CE1 TYR A 92 12.456 38.805 -0.638 1.00 0.00 C ATOM 1439 CE2 TYR A 92 13.091 36.509 -0.405 1.00 0.00 C ATOM 1440 CZ TYR A 92 13.431 37.845 -0.459 1.00 0.00 C ATOM 1441 OH TYR A 92 14.748 38.222 -0.335 1.00 0.00 O ATOM 0 H TYR A 92 6.898 36.221 -0.783 1.00 0.00 H new ATOM 0 HA TYR A 92 8.784 36.653 1.233 1.00 0.00 H new ATOM 0 HB2 TYR A 92 9.268 35.582 -0.927 1.00 0.00 H new ATOM 0 HB3 TYR A 92 8.921 37.074 -1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.375 39.176 -0.904 1.00 0.00 H new ATOM 0 HD2 TYR A 92 11.506 35.088 -0.489 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.725 39.850 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 92 13.856 35.760 -0.265 1.00 0.00 H new ATOM 0 HH TYR A 92 15.306 37.426 -0.214 1.00 0.00 H new ATOM 1451 N GLU A 93 7.844 39.374 -0.379 1.00 0.00 N ATOM 1452 CA GLU A 93 7.859 40.831 -0.328 1.00 0.00 C ATOM 1453 C GLU A 93 7.449 41.331 1.054 1.00 0.00 C ATOM 1454 O GLU A 93 8.123 42.173 1.647 1.00 0.00 O ATOM 1455 CB GLU A 93 6.922 41.410 -1.390 1.00 0.00 C ATOM 1456 CG GLU A 93 7.531 41.450 -2.782 1.00 0.00 C ATOM 1457 CD GLU A 93 6.607 42.080 -3.806 1.00 0.00 C ATOM 1458 OE1 GLU A 93 6.085 43.182 -3.534 1.00 0.00 O ATOM 1459 OE2 GLU A 93 6.404 41.472 -4.877 1.00 0.00 O ATOM 0 H GLU A 93 7.260 38.984 -1.119 1.00 0.00 H new ATOM 0 HA GLU A 93 8.877 41.166 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 93 6.008 40.816 -1.419 1.00 0.00 H new ATOM 0 HB3 GLU A 93 6.636 42.421 -1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 93 8.466 42.009 -2.749 1.00 0.00 H new ATOM 0 HG3 GLU A 93 7.777 40.436 -3.096 1.00 0.00 H new