USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=28 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 152:sc= -0.38 USER MOD Set 1.2: A 71 CYS SG : rot -34:sc= -0.989 USER MOD Set 1.3: A 84 HIS : no HE2:sc= -2.44! K(o=-4.4!,f=-5.3) USER MOD Set 1.4: A 88 CYS SG : rot 161:sc= -0.598 USER MOD Set 2.1: A 40 CYS SG : rot 166:sc= -3 USER MOD Set 2.2: A 43 CYS SG : rot -65:sc= -1.25 USER MOD Set 2.3: A 56 HIS : no HE2:sc= -3.63! X(o=-18!,f=-18) USER MOD Set 2.4: A 57 MET CE :methyl 178:sc= -5.96! (180deg=-2.85!) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -3.91 X(o=-18,f=-18) USER MOD Set 3.1: A 51 HIS : no HD1:sc= -1.68 K(o=-6,f=-5.2) USER MOD Set 3.2: A 52 HIS : no HD1:sc= -4.37! C(o=-6!,f=-5.2!) USER MOD Set 4.1: A 13 CYS SG : rot -167:sc= -0.072 USER MOD Set 4.2: A 15 CYS SG : rot -64:sc= 0.79 USER MOD Set 4.3: A 28 HIS : no HD1:sc= 0.146 K(o=-5.1,f=-6.3) USER MOD Set 4.4: A 31 MET CE :methyl -141:sc= 0 (180deg=0) USER MOD Set 4.5: A 32 HIS : no HD1:sc= -5.91! C(o=-5.1!,f=-6.9!) USER MOD Set 5.1: A 11 TYR OH : rot 0:sc= 0.711 USER MOD Set 5.2: A 22 LYS NZ :NH3+ -109:sc= 1.24 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 22:sc= 0.287 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.126 X(o=-0.13,f=-0.36) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -0.433 K(o=-0.43,f=-1.2) USER MOD Single : A 29 MET CE :methyl -118:sc= -0.141 (180deg=-2.34!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 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+ 164:sc=-0.00751 (180deg=-0.122) USER MOD Single : A 58 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0546) USER MOD Single : A 66 TYR OH : rot 150:sc= -0.4 USER MOD Single : A 69 ASN : amide:sc= -0.512 X(o=-0.51,f=-0.051) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -176:sc= 0 (180deg=-0.0209) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.796 K(o=-0.8,f=-0.041) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 73:sc= 0.177 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 1.448 6.849 16.610 1.00 0.00 N ATOM 120 CA TYR A 11 2.880 6.733 16.860 1.00 0.00 C ATOM 121 C TYR A 11 3.674 6.892 15.567 1.00 0.00 C ATOM 122 O TYR A 11 3.527 6.120 14.619 1.00 0.00 O ATOM 123 CB TYR A 11 3.199 5.383 17.505 1.00 0.00 C ATOM 124 CG TYR A 11 2.600 5.214 18.883 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.225 5.255 19.074 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.410 5.012 19.993 1.00 0.00 C ATOM 127 CE1 TYR A 11 0.674 5.101 20.331 1.00 0.00 C ATOM 128 CE2 TYR A 11 2.868 4.856 21.254 1.00 0.00 C ATOM 129 CZ TYR A 11 1.499 4.902 21.418 1.00 0.00 C ATOM 130 OH TYR A 11 0.954 4.747 22.672 1.00 0.00 O ATOM 0 HA TYR A 11 3.169 7.532 17.543 1.00 0.00 H new ATOM 0 HB2 TYR A 11 2.833 4.585 16.859 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.281 5.268 17.572 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.576 5.410 18.225 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.482 4.976 19.868 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.397 5.136 20.462 1.00 0.00 H new ATOM 0 HE2 TYR A 11 3.512 4.699 22.106 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.023 4.804 22.614 1.00 0.00 H new ATOM 140 N PRO A 12 4.537 7.918 15.526 1.00 0.00 N ATOM 141 CA PRO A 12 5.373 8.203 14.356 1.00 0.00 C ATOM 142 C PRO A 12 6.460 7.153 14.150 1.00 0.00 C ATOM 143 O PRO A 12 7.111 6.724 15.103 1.00 0.00 O ATOM 144 CB PRO A 12 5.997 9.561 14.688 1.00 0.00 C ATOM 145 CG PRO A 12 5.991 9.626 16.177 1.00 0.00 C ATOM 146 CD PRO A 12 4.764 8.878 16.619 1.00 0.00 C ATOM 0 HA PRO A 12 4.795 8.199 13.432 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.010 9.639 14.292 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.421 10.378 14.254 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.893 9.175 16.591 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.964 10.659 16.522 1.00 0.00 H new ATOM 0 HD2 PRO A 12 4.923 8.372 17.571 1.00 0.00 H new ATOM 0 HD3 PRO A 12 3.912 9.545 16.751 1.00 0.00 H new ATOM 154 N CYS A 13 6.650 6.743 12.901 1.00 0.00 N ATOM 155 CA CYS A 13 7.658 5.743 12.569 1.00 0.00 C ATOM 156 C CYS A 13 8.847 6.384 11.860 1.00 0.00 C ATOM 157 O CYS A 13 8.752 7.503 11.357 1.00 0.00 O ATOM 158 CB CYS A 13 7.052 4.651 11.686 1.00 0.00 C ATOM 159 SG CYS A 13 8.187 3.274 11.321 1.00 0.00 S ATOM 0 H CYS A 13 6.119 7.088 12.101 1.00 0.00 H new ATOM 0 HA CYS A 13 8.010 5.296 13.499 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.163 4.254 12.176 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.726 5.098 10.747 1.00 0.00 H new ATOM 0 HG CYS A 13 7.694 2.548 10.362 1.00 0.00 H new ATOM 164 N GLN A 14 9.966 5.666 11.825 1.00 0.00 N ATOM 165 CA GLN A 14 11.173 6.165 11.178 1.00 0.00 C ATOM 166 C GLN A 14 10.879 6.620 9.752 1.00 0.00 C ATOM 167 O GLN A 14 11.354 7.667 9.313 1.00 0.00 O ATOM 168 CB GLN A 14 12.256 5.084 11.168 1.00 0.00 C ATOM 169 CG GLN A 14 13.650 5.622 10.890 1.00 0.00 C ATOM 170 CD GLN A 14 14.736 4.606 11.182 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.642 4.859 11.977 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.652 3.447 10.539 1.00 0.00 N ATOM 0 H GLN A 14 10.061 4.738 12.237 1.00 0.00 H new ATOM 0 HA GLN A 14 11.531 7.023 11.747 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.258 4.574 12.132 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.006 4.338 10.413 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.716 5.928 9.846 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.819 6.513 11.495 1.00 0.00 H new ATOM 0 HE21 GLN A 14 13.884 3.279 9.889 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.355 2.725 10.696 1.00 0.00 H new ATOM 181 N CYS A 15 10.092 5.825 9.034 1.00 0.00 N ATOM 182 CA CYS A 15 9.735 6.145 7.657 1.00 0.00 C ATOM 183 C CYS A 15 8.877 7.406 7.597 1.00 0.00 C ATOM 184 O CYS A 15 8.920 8.152 6.620 1.00 0.00 O ATOM 185 CB CYS A 15 8.985 4.974 7.018 1.00 0.00 C ATOM 186 SG CYS A 15 7.447 4.517 7.880 1.00 0.00 S ATOM 0 H CYS A 15 9.690 4.955 9.383 1.00 0.00 H new ATOM 0 HA CYS A 15 10.655 6.326 7.101 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.748 5.229 5.985 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.644 4.106 6.989 1.00 0.00 H new ATOM 0 HG CYS A 15 7.730 4.087 9.074 1.00 0.00 H new ATOM 191 N GLY A 16 8.098 7.636 8.649 1.00 0.00 N ATOM 192 CA GLY A 16 7.241 8.807 8.696 1.00 0.00 C ATOM 193 C GLY A 16 5.789 8.453 8.946 1.00 0.00 C ATOM 194 O GLY A 16 4.998 9.299 9.363 1.00 0.00 O ATOM 0 H GLY A 16 8.045 7.033 9.470 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.589 9.477 9.482 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.322 9.351 7.755 1.00 0.00 H new ATOM 198 N LYS A 17 5.435 7.198 8.688 1.00 0.00 N ATOM 199 CA LYS A 17 4.067 6.733 8.887 1.00 0.00 C ATOM 200 C LYS A 17 3.657 6.857 10.351 1.00 0.00 C ATOM 201 O LYS A 17 4.478 7.178 11.210 1.00 0.00 O ATOM 202 CB LYS A 17 3.930 5.279 8.429 1.00 0.00 C ATOM 203 CG LYS A 17 3.916 5.116 6.919 1.00 0.00 C ATOM 204 CD LYS A 17 3.815 3.654 6.517 1.00 0.00 C ATOM 205 CE LYS A 17 3.509 3.503 5.035 1.00 0.00 C ATOM 206 NZ LYS A 17 4.744 3.566 4.204 1.00 0.00 N ATOM 0 H LYS A 17 6.076 6.485 8.341 1.00 0.00 H new ATOM 0 HA LYS A 17 3.406 7.360 8.289 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.755 4.698 8.841 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.010 4.863 8.840 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.075 5.668 6.500 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.823 5.549 6.497 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.751 3.146 6.750 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.034 3.168 7.102 1.00 0.00 H new ATOM 0 HE2 LYS A 17 3.004 2.552 4.864 1.00 0.00 H new ATOM 0 HE3 LYS A 17 2.822 4.290 4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 4.493 3.459 3.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 5.213 4.483 4.348 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 5.390 2.800 4.483 1.00 0.00 H new ATOM 220 N SER A 18 2.383 6.599 10.628 1.00 0.00 N ATOM 221 CA SER A 18 1.864 6.683 11.988 1.00 0.00 C ATOM 222 C SER A 18 0.993 5.474 12.313 1.00 0.00 C ATOM 223 O SER A 18 0.051 5.159 11.586 1.00 0.00 O ATOM 224 CB SER A 18 1.057 7.971 12.169 1.00 0.00 C ATOM 225 OG SER A 18 -0.104 7.963 11.357 1.00 0.00 O ATOM 0 H SER A 18 1.691 6.330 9.929 1.00 0.00 H new ATOM 0 HA SER A 18 2.711 6.693 12.674 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.772 8.081 13.215 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.677 8.831 11.915 1.00 0.00 H new ATOM 0 HG SER A 18 -0.339 7.039 11.132 1.00 0.00 H new ATOM 231 N PHE A 19 1.315 4.799 13.412 1.00 0.00 N ATOM 232 CA PHE A 19 0.564 3.623 13.835 1.00 0.00 C ATOM 233 C PHE A 19 -0.256 3.923 15.087 1.00 0.00 C ATOM 234 O PHE A 19 0.096 4.798 15.879 1.00 0.00 O ATOM 235 CB PHE A 19 1.514 2.454 14.102 1.00 0.00 C ATOM 236 CG PHE A 19 2.325 2.055 12.902 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.412 2.816 12.501 1.00 0.00 C ATOM 238 CD2 PHE A 19 2.002 0.920 12.177 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.159 2.452 11.397 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.746 0.551 11.072 1.00 0.00 C ATOM 241 CZ PHE A 19 3.827 1.317 10.682 1.00 0.00 C ATOM 0 H PHE A 19 2.091 5.047 14.026 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.119 3.350 13.031 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.189 2.723 14.914 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.934 1.595 14.441 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.678 3.703 13.057 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.159 0.316 12.479 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.002 3.054 11.093 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.482 -0.335 10.514 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.411 1.030 9.820 1.00 0.00 H new ATOM 251 N THR A 20 -1.352 3.190 15.259 1.00 0.00 N ATOM 252 CA THR A 20 -2.223 3.378 16.412 1.00 0.00 C ATOM 253 C THR A 20 -1.565 2.865 17.688 1.00 0.00 C ATOM 254 O THR A 20 -1.915 3.285 18.791 1.00 0.00 O ATOM 255 CB THR A 20 -3.572 2.659 16.219 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.231 3.160 15.051 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.467 2.852 17.434 1.00 0.00 C ATOM 0 H THR A 20 -1.657 2.461 14.614 1.00 0.00 H new ATOM 0 HA THR A 20 -2.400 4.450 16.503 1.00 0.00 H new ATOM 0 HB THR A 20 -3.377 1.594 16.097 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.087 2.697 14.934 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.413 2.336 17.274 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.975 2.444 18.317 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.655 3.915 17.583 1.00 0.00 H new ATOM 265 N HIS A 21 -0.609 1.955 17.530 1.00 0.00 N ATOM 266 CA HIS A 21 0.100 1.385 18.671 1.00 0.00 C ATOM 267 C HIS A 21 1.609 1.537 18.503 1.00 0.00 C ATOM 268 O HIS A 21 2.101 1.783 17.402 1.00 0.00 O ATOM 269 CB HIS A 21 -0.260 -0.091 18.836 1.00 0.00 C ATOM 270 CG HIS A 21 -1.571 -0.314 19.527 1.00 0.00 C ATOM 271 ND1 HIS A 21 -1.984 0.427 20.614 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.563 -1.201 19.279 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.173 0.005 21.005 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.547 -0.982 20.211 1.00 0.00 N ATOM 0 H HIS A 21 -0.307 1.597 16.624 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.205 1.928 19.566 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.292 -0.561 17.853 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.529 -0.588 19.401 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.578 -1.943 18.494 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.743 0.400 21.833 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.424 -1.498 20.279 1.00 0.00 H new ATOM 282 N LYS A 22 2.339 1.390 19.604 1.00 0.00 N ATOM 283 CA LYS A 22 3.792 1.510 19.580 1.00 0.00 C ATOM 284 C LYS A 22 4.434 0.239 19.033 1.00 0.00 C ATOM 285 O LYS A 22 5.396 0.298 18.268 1.00 0.00 O ATOM 286 CB LYS A 22 4.323 1.798 20.986 1.00 0.00 C ATOM 287 CG LYS A 22 3.460 1.219 22.093 1.00 0.00 C ATOM 288 CD LYS A 22 2.416 2.217 22.567 1.00 0.00 C ATOM 289 CE LYS A 22 1.465 1.592 23.576 1.00 0.00 C ATOM 290 NZ LYS A 22 0.536 2.599 24.159 1.00 0.00 N ATOM 0 H LYS A 22 1.948 1.188 20.524 1.00 0.00 H new ATOM 0 HA LYS A 22 4.053 2.339 18.922 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.331 1.394 21.074 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.399 2.877 21.123 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.965 0.316 21.735 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.091 0.926 22.932 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.911 3.077 23.017 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.850 2.586 21.712 1.00 0.00 H new ATOM 0 HE2 LYS A 22 0.889 0.803 23.092 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.040 1.123 24.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.793 2.775 25.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 0.604 3.487 23.621 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.439 2.240 24.112 1.00 0.00 H new ATOM 304 N SER A 23 3.895 -0.909 19.430 1.00 0.00 N ATOM 305 CA SER A 23 4.417 -2.194 18.981 1.00 0.00 C ATOM 306 C SER A 23 4.351 -2.306 17.461 1.00 0.00 C ATOM 307 O SER A 23 5.194 -2.953 16.839 1.00 0.00 O ATOM 308 CB SER A 23 3.632 -3.340 19.623 1.00 0.00 C ATOM 309 OG SER A 23 3.891 -3.420 21.013 1.00 0.00 O ATOM 0 H SER A 23 3.097 -0.975 20.062 1.00 0.00 H new ATOM 0 HA SER A 23 5.461 -2.262 19.288 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.565 -3.192 19.457 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.901 -4.282 19.145 1.00 0.00 H new ATOM 0 HG SER A 23 3.376 -4.159 21.400 1.00 0.00 H new ATOM 315 N GLN A 24 3.344 -1.672 16.870 1.00 0.00 N ATOM 316 CA GLN A 24 3.167 -1.701 15.423 1.00 0.00 C ATOM 317 C GLN A 24 4.180 -0.793 14.733 1.00 0.00 C ATOM 318 O GLN A 24 4.675 -1.109 13.651 1.00 0.00 O ATOM 319 CB GLN A 24 1.746 -1.273 15.053 1.00 0.00 C ATOM 320 CG GLN A 24 0.742 -2.414 15.075 1.00 0.00 C ATOM 321 CD GLN A 24 0.886 -3.341 13.884 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.268 -2.915 12.794 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.579 -4.617 14.086 1.00 0.00 N ATOM 0 H GLN A 24 2.638 -1.132 17.371 1.00 0.00 H new ATOM 0 HA GLN A 24 3.331 -2.723 15.082 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.417 -0.497 15.745 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.757 -0.829 14.058 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.869 -2.987 15.994 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.268 -2.004 15.092 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.266 -4.927 15.006 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.656 -5.287 13.321 1.00 0.00 H new ATOM 332 N ARG A 25 4.483 0.335 15.365 1.00 0.00 N ATOM 333 CA ARG A 25 5.436 1.289 14.811 1.00 0.00 C ATOM 334 C ARG A 25 6.867 0.787 14.977 1.00 0.00 C ATOM 335 O ARG A 25 7.738 1.082 14.158 1.00 0.00 O ATOM 336 CB ARG A 25 5.280 2.651 15.490 1.00 0.00 C ATOM 337 CG ARG A 25 6.365 3.647 15.113 1.00 0.00 C ATOM 338 CD ARG A 25 7.549 3.568 16.064 1.00 0.00 C ATOM 339 NE ARG A 25 7.140 3.702 17.460 1.00 0.00 N ATOM 340 CZ ARG A 25 7.964 3.528 18.487 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.235 3.215 18.276 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.517 3.667 19.729 1.00 0.00 N ATOM 0 H ARG A 25 4.082 0.611 16.261 1.00 0.00 H new ATOM 0 HA ARG A 25 5.228 1.395 13.746 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.308 3.069 15.228 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.286 2.512 16.571 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.701 3.452 14.095 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.954 4.656 15.125 1.00 0.00 H new ATOM 0 HD2 ARG A 25 8.062 2.616 15.926 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.264 4.353 15.819 1.00 0.00 H new ATOM 0 HE ARG A 25 6.168 3.942 17.657 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.582 3.107 17.323 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.866 3.082 19.067 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.540 3.908 19.895 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.151 3.533 20.517 1.00 0.00 H new ATOM 356 N ASP A 26 7.103 0.028 16.042 1.00 0.00 N ATOM 357 CA ASP A 26 8.428 -0.515 16.315 1.00 0.00 C ATOM 358 C ASP A 26 8.808 -1.568 15.278 1.00 0.00 C ATOM 359 O ASP A 26 9.884 -1.506 14.682 1.00 0.00 O ATOM 360 CB ASP A 26 8.474 -1.124 17.718 1.00 0.00 C ATOM 361 CG ASP A 26 9.878 -1.157 18.289 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.442 -0.072 18.538 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.412 -2.269 18.486 1.00 0.00 O ATOM 0 H ASP A 26 6.394 -0.225 16.730 1.00 0.00 H new ATOM 0 HA ASP A 26 9.147 0.302 16.258 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.828 -0.549 18.382 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.075 -2.138 17.684 1.00 0.00 H new ATOM 368 N ARG A 27 7.919 -2.533 15.069 1.00 0.00 N ATOM 369 CA ARG A 27 8.162 -3.600 14.106 1.00 0.00 C ATOM 370 C ARG A 27 8.468 -3.027 12.725 1.00 0.00 C ATOM 371 O ARG A 27 9.212 -3.623 11.945 1.00 0.00 O ATOM 372 CB ARG A 27 6.951 -4.531 14.027 1.00 0.00 C ATOM 373 CG ARG A 27 5.742 -3.901 13.354 1.00 0.00 C ATOM 374 CD ARG A 27 4.761 -4.958 12.870 1.00 0.00 C ATOM 375 NE ARG A 27 3.831 -5.363 13.921 1.00 0.00 N ATOM 376 CZ ARG A 27 4.100 -6.307 14.816 1.00 0.00 C ATOM 377 NH1 ARG A 27 5.265 -6.940 14.788 1.00 0.00 N ATOM 378 NH2 ARG A 27 3.202 -6.620 15.742 1.00 0.00 N ATOM 0 H ARG A 27 7.024 -2.598 15.554 1.00 0.00 H new ATOM 0 HA ARG A 27 9.028 -4.170 14.444 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.231 -5.432 13.482 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.675 -4.841 15.035 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.242 -3.232 14.054 1.00 0.00 H new ATOM 0 HG3 ARG A 27 6.069 -3.293 12.511 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.200 -4.570 12.019 1.00 0.00 H new ATOM 0 HD3 ARG A 27 5.312 -5.830 12.518 1.00 0.00 H new ATOM 0 HE ARG A 27 2.926 -4.896 13.970 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.958 -6.702 14.078 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.469 -7.664 15.477 1.00 0.00 H new ATOM 0 HH21 ARG A 27 2.305 -6.136 15.767 1.00 0.00 H new ATOM 0 HH22 ARG A 27 3.409 -7.345 16.429 1.00 0.00 H new ATOM 392 N HIS A 28 7.889 -1.868 12.430 1.00 0.00 N ATOM 393 CA HIS A 28 8.100 -1.214 11.143 1.00 0.00 C ATOM 394 C HIS A 28 9.416 -0.441 11.135 1.00 0.00 C ATOM 395 O HIS A 28 9.903 -0.037 10.080 1.00 0.00 O ATOM 396 CB HIS A 28 6.939 -0.270 10.831 1.00 0.00 C ATOM 397 CG HIS A 28 6.723 -0.050 9.365 1.00 0.00 C ATOM 398 ND1 HIS A 28 6.818 1.189 8.767 1.00 0.00 N ATOM 399 CD2 HIS A 28 6.417 -0.921 8.375 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.578 1.071 7.474 1.00 0.00 C ATOM 401 NE2 HIS A 28 6.332 -0.200 7.210 1.00 0.00 N ATOM 0 H HIS A 28 7.270 -1.362 13.064 1.00 0.00 H new ATOM 0 HA HIS A 28 8.148 -1.986 10.375 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.026 -0.674 11.268 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.124 0.691 11.311 1.00 0.00 H new ATOM 0 HD2 HIS A 28 6.268 -1.985 8.482 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.582 1.876 6.755 1.00 0.00 H new ATOM 0 HE2 HIS A 28 6.114 -0.583 6.290 1.00 0.00 H new ATOM 409 N MET A 29 9.985 -0.239 12.319 1.00 0.00 N ATOM 410 CA MET A 29 11.244 0.485 12.448 1.00 0.00 C ATOM 411 C MET A 29 12.431 -0.444 12.215 1.00 0.00 C ATOM 412 O MET A 29 13.377 -0.094 11.509 1.00 0.00 O ATOM 413 CB MET A 29 11.348 1.129 13.832 1.00 0.00 C ATOM 414 CG MET A 29 10.850 2.564 13.873 1.00 0.00 C ATOM 415 SD MET A 29 11.618 3.528 15.189 1.00 0.00 S ATOM 416 CE MET A 29 13.301 3.643 14.586 1.00 0.00 C ATOM 0 H MET A 29 9.594 -0.566 13.202 1.00 0.00 H new ATOM 0 HA MET A 29 11.264 1.268 11.690 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.776 0.534 14.544 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.388 1.104 14.158 1.00 0.00 H new ATOM 0 HG2 MET A 29 11.050 3.042 12.914 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.769 2.566 14.010 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.974 3.157 15.292 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.375 3.150 13.616 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.579 4.692 14.482 1.00 0.00 H new ATOM 426 N SER A 30 12.376 -1.629 12.815 1.00 0.00 N ATOM 427 CA SER A 30 13.449 -2.607 12.676 1.00 0.00 C ATOM 428 C SER A 30 13.518 -3.139 11.248 1.00 0.00 C ATOM 429 O SER A 30 14.601 -3.326 10.696 1.00 0.00 O ATOM 430 CB SER A 30 13.243 -3.764 13.655 1.00 0.00 C ATOM 431 OG SER A 30 13.185 -3.297 14.992 1.00 0.00 O ATOM 0 H SER A 30 11.600 -1.935 13.402 1.00 0.00 H new ATOM 0 HA SER A 30 14.392 -2.110 12.905 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.321 -4.292 13.410 1.00 0.00 H new ATOM 0 HB3 SER A 30 14.057 -4.481 13.552 1.00 0.00 H new ATOM 0 HG SER A 30 13.051 -4.056 15.598 1.00 0.00 H new ATOM 437 N MET A 31 12.352 -3.382 10.658 1.00 0.00 N ATOM 438 CA MET A 31 12.279 -3.893 9.294 1.00 0.00 C ATOM 439 C MET A 31 13.011 -2.967 8.327 1.00 0.00 C ATOM 440 O MET A 31 13.574 -3.416 7.328 1.00 0.00 O ATOM 441 CB MET A 31 10.820 -4.049 8.862 1.00 0.00 C ATOM 442 CG MET A 31 10.059 -2.734 8.805 1.00 0.00 C ATOM 443 SD MET A 31 10.430 -1.780 7.321 1.00 0.00 S ATOM 444 CE MET A 31 9.174 -2.394 6.201 1.00 0.00 C ATOM 0 H MET A 31 11.446 -3.234 11.102 1.00 0.00 H new ATOM 0 HA MET A 31 12.763 -4.869 9.272 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.789 -4.520 7.880 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.315 -4.722 9.554 1.00 0.00 H new ATOM 0 HG2 MET A 31 8.989 -2.936 8.844 1.00 0.00 H new ATOM 0 HG3 MET A 31 10.303 -2.139 9.685 1.00 0.00 H new ATOM 0 HE1 MET A 31 9.598 -2.501 5.202 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.818 -3.364 6.550 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.341 -1.692 6.169 1.00 0.00 H new ATOM 454 N HIS A 32 12.999 -1.673 8.630 1.00 0.00 N ATOM 455 CA HIS A 32 13.662 -0.684 7.787 1.00 0.00 C ATOM 456 C HIS A 32 15.145 -1.006 7.636 1.00 0.00 C ATOM 457 O HIS A 32 15.665 -1.077 6.521 1.00 0.00 O ATOM 458 CB HIS A 32 13.490 0.717 8.376 1.00 0.00 C ATOM 459 CG HIS A 32 12.097 1.251 8.254 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.287 0.999 7.167 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.370 2.028 9.090 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.122 1.599 7.339 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.147 2.230 8.499 1.00 0.00 N ATOM 0 H HIS A 32 12.538 -1.285 9.453 1.00 0.00 H new ATOM 0 HA HIS A 32 13.199 -0.715 6.801 1.00 0.00 H new ATOM 0 HB2 HIS A 32 13.771 0.697 9.429 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.177 1.399 7.876 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.692 2.417 10.045 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.292 1.577 6.649 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.382 2.778 8.892 1.00 0.00 H new ATOM 582 N CYS A 40 19.960 -16.917 2.477 1.00 0.00 N ATOM 583 CA CYS A 40 20.035 -17.906 1.409 1.00 0.00 C ATOM 584 C CYS A 40 21.291 -17.703 0.567 1.00 0.00 C ATOM 585 O CYS A 40 21.367 -16.778 -0.242 1.00 0.00 O ATOM 586 CB CYS A 40 18.793 -17.821 0.520 1.00 0.00 C ATOM 587 SG CYS A 40 18.831 -18.937 -0.920 1.00 0.00 S ATOM 0 HA CYS A 40 20.081 -18.895 1.865 1.00 0.00 H new ATOM 0 HB2 CYS A 40 17.913 -18.050 1.121 1.00 0.00 H new ATOM 0 HB3 CYS A 40 18.680 -16.795 0.168 1.00 0.00 H new ATOM 0 HG CYS A 40 17.642 -19.015 -1.440 1.00 0.00 H new ATOM 592 N GLY A 41 22.276 -18.575 0.763 1.00 0.00 N ATOM 593 CA GLY A 41 23.516 -18.474 0.015 1.00 0.00 C ATOM 594 C GLY A 41 23.401 -19.059 -1.379 1.00 0.00 C ATOM 595 O GLY A 41 24.338 -19.682 -1.878 1.00 0.00 O ATOM 0 H GLY A 41 22.237 -19.349 1.426 1.00 0.00 H new ATOM 0 HA2 GLY A 41 23.809 -17.427 -0.057 1.00 0.00 H new ATOM 0 HA3 GLY A 41 24.308 -18.990 0.558 1.00 0.00 H new ATOM 599 N VAL A 42 22.247 -18.860 -2.009 1.00 0.00 N ATOM 600 CA VAL A 42 22.013 -19.372 -3.354 1.00 0.00 C ATOM 601 C VAL A 42 21.499 -18.274 -4.279 1.00 0.00 C ATOM 602 O VAL A 42 21.955 -18.140 -5.415 1.00 0.00 O ATOM 603 CB VAL A 42 21.001 -20.534 -3.343 1.00 0.00 C ATOM 604 CG1 VAL A 42 20.826 -21.102 -4.743 1.00 0.00 C ATOM 605 CG2 VAL A 42 21.444 -21.616 -2.370 1.00 0.00 C ATOM 0 H VAL A 42 21.460 -18.348 -1.610 1.00 0.00 H new ATOM 0 HA VAL A 42 22.971 -19.736 -3.725 1.00 0.00 H new ATOM 0 HB VAL A 42 20.036 -20.151 -3.010 1.00 0.00 H new ATOM 0 HG11 VAL A 42 20.108 -21.922 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 42 20.460 -20.321 -5.409 1.00 0.00 H new ATOM 0 HG13 VAL A 42 21.784 -21.471 -5.108 1.00 0.00 H new ATOM 0 HG21 VAL A 42 20.718 -22.429 -2.375 1.00 0.00 H new ATOM 0 HG22 VAL A 42 22.419 -21.999 -2.671 1.00 0.00 H new ATOM 0 HG23 VAL A 42 21.513 -21.197 -1.366 1.00 0.00 H new ATOM 615 N CYS A 43 20.548 -17.489 -3.785 1.00 0.00 N ATOM 616 CA CYS A 43 19.971 -16.402 -4.566 1.00 0.00 C ATOM 617 C CYS A 43 20.293 -15.049 -3.936 1.00 0.00 C ATOM 618 O CYS A 43 20.532 -14.067 -4.637 1.00 0.00 O ATOM 619 CB CYS A 43 18.455 -16.576 -4.679 1.00 0.00 C ATOM 620 SG CYS A 43 17.549 -16.228 -3.138 1.00 0.00 S ATOM 0 H CYS A 43 20.160 -17.586 -2.846 1.00 0.00 H new ATOM 0 HA CYS A 43 20.409 -16.432 -5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 43 18.082 -15.918 -5.464 1.00 0.00 H new ATOM 0 HB3 CYS A 43 18.240 -17.598 -4.991 1.00 0.00 H new ATOM 0 HG CYS A 43 17.882 -17.100 -2.233 1.00 0.00 H new ATOM 625 N GLY A 44 20.296 -15.008 -2.607 1.00 0.00 N ATOM 626 CA GLY A 44 20.590 -13.772 -1.904 1.00 0.00 C ATOM 627 C GLY A 44 19.417 -13.282 -1.078 1.00 0.00 C ATOM 628 O GLY A 44 19.244 -12.078 -0.885 1.00 0.00 O ATOM 0 H GLY A 44 20.100 -15.808 -2.005 1.00 0.00 H new ATOM 0 HA2 GLY A 44 21.451 -13.924 -1.253 1.00 0.00 H new ATOM 0 HA3 GLY A 44 20.868 -13.004 -2.626 1.00 0.00 H new ATOM 632 N LYS A 45 18.608 -14.216 -0.590 1.00 0.00 N ATOM 633 CA LYS A 45 17.445 -13.874 0.220 1.00 0.00 C ATOM 634 C LYS A 45 17.764 -13.990 1.707 1.00 0.00 C ATOM 635 O LYS A 45 18.882 -14.337 2.087 1.00 0.00 O ATOM 636 CB LYS A 45 16.267 -14.785 -0.133 1.00 0.00 C ATOM 637 CG LYS A 45 15.394 -14.245 -1.253 1.00 0.00 C ATOM 638 CD LYS A 45 13.990 -14.822 -1.193 1.00 0.00 C ATOM 639 CE LYS A 45 12.999 -13.957 -1.958 1.00 0.00 C ATOM 640 NZ LYS A 45 13.264 -13.975 -3.423 1.00 0.00 N ATOM 0 H LYS A 45 18.737 -15.216 -0.741 1.00 0.00 H new ATOM 0 HA LYS A 45 17.174 -12.840 0.005 1.00 0.00 H new ATOM 0 HB2 LYS A 45 16.650 -15.764 -0.422 1.00 0.00 H new ATOM 0 HB3 LYS A 45 15.653 -14.932 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 45 15.345 -13.158 -1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 45 15.846 -14.484 -2.216 1.00 0.00 H new ATOM 0 HD2 LYS A 45 13.991 -15.830 -1.608 1.00 0.00 H new ATOM 0 HD3 LYS A 45 13.674 -14.906 -0.153 1.00 0.00 H new ATOM 0 HE2 LYS A 45 11.986 -14.311 -1.768 1.00 0.00 H new ATOM 0 HE3 LYS A 45 13.053 -12.932 -1.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 12.568 -13.374 -3.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 14.222 -13.614 -3.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 13.187 -14.950 -3.778 1.00 0.00 H new ATOM 654 N LYS A 46 16.774 -13.699 2.544 1.00 0.00 N ATOM 655 CA LYS A 46 16.947 -13.774 3.990 1.00 0.00 C ATOM 656 C LYS A 46 15.602 -13.929 4.692 1.00 0.00 C ATOM 657 O LYS A 46 14.561 -13.552 4.152 1.00 0.00 O ATOM 658 CB LYS A 46 17.661 -12.521 4.504 1.00 0.00 C ATOM 659 CG LYS A 46 19.037 -12.313 3.896 1.00 0.00 C ATOM 660 CD LYS A 46 19.803 -11.214 4.613 1.00 0.00 C ATOM 661 CE LYS A 46 20.800 -10.534 3.688 1.00 0.00 C ATOM 662 NZ LYS A 46 20.188 -9.393 2.954 1.00 0.00 N ATOM 0 H LYS A 46 15.843 -13.409 2.246 1.00 0.00 H new ATOM 0 HA LYS A 46 17.556 -14.650 4.213 1.00 0.00 H new ATOM 0 HB2 LYS A 46 17.043 -11.648 4.292 1.00 0.00 H new ATOM 0 HB3 LYS A 46 17.758 -12.587 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.602 -13.244 3.946 1.00 0.00 H new ATOM 0 HG3 LYS A 46 18.935 -12.058 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 46 19.102 -10.475 5.001 1.00 0.00 H new ATOM 0 HD3 LYS A 46 20.329 -11.635 5.470 1.00 0.00 H new ATOM 0 HE2 LYS A 46 21.650 -10.177 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 46 21.186 -11.261 2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.900 -8.957 2.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 19.393 -9.737 2.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.843 -8.687 3.635 1.00 0.00 H new ATOM 676 N PHE A 47 15.630 -14.486 5.898 1.00 0.00 N ATOM 677 CA PHE A 47 14.413 -14.690 6.674 1.00 0.00 C ATOM 678 C PHE A 47 14.688 -14.540 8.168 1.00 0.00 C ATOM 679 O PHE A 47 15.792 -14.814 8.639 1.00 0.00 O ATOM 680 CB PHE A 47 13.827 -16.075 6.389 1.00 0.00 C ATOM 681 CG PHE A 47 13.702 -16.383 4.924 1.00 0.00 C ATOM 682 CD1 PHE A 47 14.828 -16.466 4.122 1.00 0.00 C ATOM 683 CD2 PHE A 47 12.458 -16.589 4.350 1.00 0.00 C ATOM 684 CE1 PHE A 47 14.716 -16.748 2.774 1.00 0.00 C ATOM 685 CE2 PHE A 47 12.339 -16.872 3.003 1.00 0.00 C ATOM 686 CZ PHE A 47 13.470 -16.953 2.213 1.00 0.00 C ATOM 0 H PHE A 47 16.482 -14.804 6.359 1.00 0.00 H new ATOM 0 HA PHE A 47 13.691 -13.929 6.377 1.00 0.00 H new ATOM 0 HB2 PHE A 47 14.457 -16.831 6.859 1.00 0.00 H new ATOM 0 HB3 PHE A 47 12.843 -16.147 6.853 1.00 0.00 H new ATOM 0 HD1 PHE A 47 15.805 -16.309 4.555 1.00 0.00 H new ATOM 0 HD2 PHE A 47 11.571 -16.528 4.963 1.00 0.00 H new ATOM 0 HE1 PHE A 47 15.602 -16.808 2.159 1.00 0.00 H new ATOM 0 HE2 PHE A 47 11.363 -17.030 2.568 1.00 0.00 H new ATOM 0 HZ PHE A 47 13.380 -17.176 1.160 1.00 0.00 H new ATOM 696 N LYS A 48 13.676 -14.101 8.908 1.00 0.00 N ATOM 697 CA LYS A 48 13.805 -13.913 10.348 1.00 0.00 C ATOM 698 C LYS A 48 13.703 -15.247 11.082 1.00 0.00 C ATOM 699 O LYS A 48 14.456 -15.509 12.019 1.00 0.00 O ATOM 700 CB LYS A 48 12.727 -12.955 10.858 1.00 0.00 C ATOM 701 CG LYS A 48 12.515 -11.746 9.963 1.00 0.00 C ATOM 702 CD LYS A 48 12.036 -10.542 10.756 1.00 0.00 C ATOM 703 CE LYS A 48 13.156 -9.946 11.595 1.00 0.00 C ATOM 704 NZ LYS A 48 12.630 -9.089 12.694 1.00 0.00 N ATOM 0 H LYS A 48 12.756 -13.868 8.534 1.00 0.00 H new ATOM 0 HA LYS A 48 14.787 -13.483 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 48 11.786 -13.497 10.951 1.00 0.00 H new ATOM 0 HB3 LYS A 48 12.999 -12.614 11.857 1.00 0.00 H new ATOM 0 HG2 LYS A 48 13.448 -11.500 9.455 1.00 0.00 H new ATOM 0 HG3 LYS A 48 11.785 -11.988 9.190 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.649 -9.786 10.073 1.00 0.00 H new ATOM 0 HD3 LYS A 48 11.211 -10.837 11.405 1.00 0.00 H new ATOM 0 HE2 LYS A 48 13.760 -10.749 12.018 1.00 0.00 H new ATOM 0 HE3 LYS A 48 13.813 -9.355 10.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 13.424 -8.702 13.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 12.075 -8.308 12.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 12.023 -9.658 13.318 1.00 0.00 H new ATOM 718 N MET A 49 12.768 -16.086 10.648 1.00 0.00 N ATOM 719 CA MET A 49 12.571 -17.393 11.263 1.00 0.00 C ATOM 720 C MET A 49 13.324 -18.475 10.494 1.00 0.00 C ATOM 721 O MET A 49 13.758 -18.258 9.363 1.00 0.00 O ATOM 722 CB MET A 49 11.080 -17.735 11.318 1.00 0.00 C ATOM 723 CG MET A 49 10.210 -16.582 11.791 1.00 0.00 C ATOM 724 SD MET A 49 10.105 -16.484 13.589 1.00 0.00 S ATOM 725 CE MET A 49 9.537 -14.799 13.803 1.00 0.00 C ATOM 0 H MET A 49 12.136 -15.884 9.874 1.00 0.00 H new ATOM 0 HA MET A 49 12.965 -17.352 12.278 1.00 0.00 H new ATOM 0 HB2 MET A 49 10.750 -18.046 10.327 1.00 0.00 H new ATOM 0 HB3 MET A 49 10.935 -18.586 11.984 1.00 0.00 H new ATOM 0 HG2 MET A 49 10.611 -15.646 11.403 1.00 0.00 H new ATOM 0 HG3 MET A 49 9.208 -16.695 11.378 1.00 0.00 H new ATOM 0 HE1 MET A 49 9.423 -14.586 14.866 1.00 0.00 H new ATOM 0 HE2 MET A 49 10.265 -14.112 13.371 1.00 0.00 H new ATOM 0 HE3 MET A 49 8.577 -14.672 13.303 1.00 0.00 H new ATOM 735 N LYS A 50 13.475 -19.639 11.116 1.00 0.00 N ATOM 736 CA LYS A 50 14.175 -20.755 10.491 1.00 0.00 C ATOM 737 C LYS A 50 13.277 -21.463 9.480 1.00 0.00 C ATOM 738 O LYS A 50 13.691 -21.737 8.353 1.00 0.00 O ATOM 739 CB LYS A 50 14.645 -21.750 11.555 1.00 0.00 C ATOM 740 CG LYS A 50 13.724 -21.831 12.760 1.00 0.00 C ATOM 741 CD LYS A 50 13.714 -23.227 13.361 1.00 0.00 C ATOM 742 CE LYS A 50 14.881 -23.433 14.313 1.00 0.00 C ATOM 743 NZ LYS A 50 14.690 -22.696 15.593 1.00 0.00 N ATOM 0 H LYS A 50 13.122 -19.834 12.053 1.00 0.00 H new ATOM 0 HA LYS A 50 15.043 -20.358 9.965 1.00 0.00 H new ATOM 0 HB2 LYS A 50 14.728 -22.739 11.104 1.00 0.00 H new ATOM 0 HB3 LYS A 50 15.643 -21.467 11.889 1.00 0.00 H new ATOM 0 HG2 LYS A 50 14.045 -21.112 13.513 1.00 0.00 H new ATOM 0 HG3 LYS A 50 12.712 -21.554 12.465 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.776 -23.388 13.893 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.759 -23.968 12.563 1.00 0.00 H new ATOM 0 HE2 LYS A 50 14.997 -24.497 14.520 1.00 0.00 H new ATOM 0 HE3 LYS A 50 15.802 -23.099 13.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 15.350 -23.065 16.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.874 -21.684 15.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 13.713 -22.824 15.925 1.00 0.00 H new ATOM 757 N HIS A 51 12.047 -21.754 9.890 1.00 0.00 N ATOM 758 CA HIS A 51 11.091 -22.428 9.019 1.00 0.00 C ATOM 759 C HIS A 51 10.593 -21.486 7.927 1.00 0.00 C ATOM 760 O HIS A 51 9.818 -21.883 7.056 1.00 0.00 O ATOM 761 CB HIS A 51 9.908 -22.953 9.834 1.00 0.00 C ATOM 762 CG HIS A 51 9.672 -22.193 11.104 1.00 0.00 C ATOM 763 ND1 HIS A 51 9.467 -20.830 11.138 1.00 0.00 N ATOM 764 CD2 HIS A 51 9.606 -22.615 12.388 1.00 0.00 C ATOM 765 CE1 HIS A 51 9.288 -20.446 12.389 1.00 0.00 C ATOM 766 NE2 HIS A 51 9.367 -21.510 13.168 1.00 0.00 N ATOM 0 H HIS A 51 11.689 -21.534 10.819 1.00 0.00 H new ATOM 0 HA HIS A 51 11.598 -23.269 8.546 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.007 -22.910 9.221 1.00 0.00 H new ATOM 0 HB3 HIS A 51 10.080 -24.002 10.074 1.00 0.00 H new ATOM 0 HD2 HIS A 51 9.720 -23.631 12.735 1.00 0.00 H new ATOM 0 HE1 HIS A 51 9.108 -19.434 12.719 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.267 -21.511 14.183 1.00 0.00 H new ATOM 774 N HIS A 52 11.042 -20.236 7.981 1.00 0.00 N ATOM 775 CA HIS A 52 10.642 -19.237 6.996 1.00 0.00 C ATOM 776 C HIS A 52 11.566 -19.271 5.782 1.00 0.00 C ATOM 777 O HIS A 52 11.186 -18.849 4.688 1.00 0.00 O ATOM 778 CB HIS A 52 10.653 -17.842 7.621 1.00 0.00 C ATOM 779 CG HIS A 52 9.407 -17.518 8.385 1.00 0.00 C ATOM 780 ND1 HIS A 52 9.098 -16.246 8.817 1.00 0.00 N ATOM 781 CD2 HIS A 52 8.387 -18.310 8.793 1.00 0.00 C ATOM 782 CE1 HIS A 52 7.943 -16.269 9.459 1.00 0.00 C ATOM 783 NE2 HIS A 52 7.491 -17.510 9.458 1.00 0.00 N ATOM 0 H HIS A 52 11.683 -19.891 8.696 1.00 0.00 H new ATOM 0 HA HIS A 52 9.630 -19.472 6.667 1.00 0.00 H new ATOM 0 HB2 HIS A 52 11.511 -17.759 8.289 1.00 0.00 H new ATOM 0 HB3 HIS A 52 10.789 -17.101 6.833 1.00 0.00 H new ATOM 0 HD2 HIS A 52 8.295 -19.373 8.626 1.00 0.00 H new ATOM 0 HE1 HIS A 52 7.452 -15.418 9.908 1.00 0.00 H new ATOM 0 HE2 HIS A 52 6.618 -17.823 9.882 1.00 0.00 H new ATOM 791 N LEU A 53 12.779 -19.774 5.981 1.00 0.00 N ATOM 792 CA LEU A 53 13.757 -19.863 4.903 1.00 0.00 C ATOM 793 C LEU A 53 13.607 -21.173 4.137 1.00 0.00 C ATOM 794 O LEU A 53 13.680 -21.199 2.908 1.00 0.00 O ATOM 795 CB LEU A 53 15.176 -19.746 5.464 1.00 0.00 C ATOM 796 CG LEU A 53 16.311 -20.053 4.486 1.00 0.00 C ATOM 797 CD1 LEU A 53 16.349 -19.019 3.371 1.00 0.00 C ATOM 798 CD2 LEU A 53 17.645 -20.100 5.217 1.00 0.00 C ATOM 0 H LEU A 53 13.109 -20.127 6.879 1.00 0.00 H new ATOM 0 HA LEU A 53 13.576 -19.038 4.213 1.00 0.00 H new ATOM 0 HB2 LEU A 53 15.313 -18.733 5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 53 15.265 -20.420 6.316 1.00 0.00 H new ATOM 0 HG LEU A 53 16.128 -21.031 4.041 1.00 0.00 H new ATOM 0 HD11 LEU A 53 17.163 -19.254 2.685 1.00 0.00 H new ATOM 0 HD12 LEU A 53 15.403 -19.032 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 53 16.509 -18.029 3.798 1.00 0.00 H new ATOM 0 HD21 LEU A 53 18.442 -20.320 4.506 1.00 0.00 H new ATOM 0 HD22 LEU A 53 17.835 -19.136 5.689 1.00 0.00 H new ATOM 0 HD23 LEU A 53 17.615 -20.878 5.980 1.00 0.00 H new ATOM 810 N VAL A 54 13.394 -22.261 4.871 1.00 0.00 N ATOM 811 CA VAL A 54 13.229 -23.575 4.262 1.00 0.00 C ATOM 812 C VAL A 54 12.190 -23.537 3.147 1.00 0.00 C ATOM 813 O VAL A 54 12.479 -23.885 2.003 1.00 0.00 O ATOM 814 CB VAL A 54 12.810 -24.629 5.304 1.00 0.00 C ATOM 815 CG1 VAL A 54 12.223 -25.853 4.619 1.00 0.00 C ATOM 816 CG2 VAL A 54 13.995 -25.013 6.178 1.00 0.00 C ATOM 0 H VAL A 54 13.332 -22.258 5.889 1.00 0.00 H new ATOM 0 HA VAL A 54 14.196 -23.854 3.844 1.00 0.00 H new ATOM 0 HB VAL A 54 12.040 -24.197 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 54 11.933 -26.587 5.371 1.00 0.00 H new ATOM 0 HG12 VAL A 54 11.347 -25.561 4.040 1.00 0.00 H new ATOM 0 HG13 VAL A 54 12.968 -26.290 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 54 13.682 -25.759 6.909 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.788 -25.427 5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 54 14.366 -24.129 6.697 1.00 0.00 H new ATOM 826 N GLY A 55 10.978 -23.112 3.489 1.00 0.00 N ATOM 827 CA GLY A 55 9.913 -23.036 2.506 1.00 0.00 C ATOM 828 C GLY A 55 10.366 -22.396 1.209 1.00 0.00 C ATOM 829 O GLY A 55 9.743 -22.585 0.164 1.00 0.00 O ATOM 0 H GLY A 55 10.714 -22.819 4.430 1.00 0.00 H new ATOM 0 HA2 GLY A 55 9.539 -24.039 2.301 1.00 0.00 H new ATOM 0 HA3 GLY A 55 9.082 -22.464 2.919 1.00 0.00 H new ATOM 833 N HIS A 56 11.454 -21.635 1.274 1.00 0.00 N ATOM 834 CA HIS A 56 11.990 -20.964 0.095 1.00 0.00 C ATOM 835 C HIS A 56 13.131 -21.770 -0.517 1.00 0.00 C ATOM 836 O HIS A 56 13.203 -21.936 -1.734 1.00 0.00 O ATOM 837 CB HIS A 56 12.478 -19.561 0.459 1.00 0.00 C ATOM 838 CG HIS A 56 13.542 -19.041 -0.458 1.00 0.00 C ATOM 839 ND1 HIS A 56 13.268 -18.489 -1.692 1.00 0.00 N ATOM 840 CD2 HIS A 56 14.887 -18.989 -0.315 1.00 0.00 C ATOM 841 CE1 HIS A 56 14.398 -18.122 -2.269 1.00 0.00 C ATOM 842 NE2 HIS A 56 15.396 -18.414 -1.453 1.00 0.00 N ATOM 0 H HIS A 56 11.982 -21.468 2.131 1.00 0.00 H new ATOM 0 HA HIS A 56 11.191 -20.883 -0.642 1.00 0.00 H new ATOM 0 HB2 HIS A 56 11.631 -18.875 0.445 1.00 0.00 H new ATOM 0 HB3 HIS A 56 12.862 -19.572 1.479 1.00 0.00 H new ATOM 0 HD1 HIS A 56 12.338 -18.381 -2.096 1.00 0.00 H new ATOM 0 HD2 HIS A 56 15.454 -19.335 0.536 1.00 0.00 H new ATOM 0 HE1 HIS A 56 14.491 -17.662 -3.242 1.00 0.00 H new ATOM 850 N MET A 57 14.022 -22.267 0.335 1.00 0.00 N ATOM 851 CA MET A 57 15.160 -23.056 -0.123 1.00 0.00 C ATOM 852 C MET A 57 14.701 -24.203 -1.018 1.00 0.00 C ATOM 853 O MET A 57 15.447 -24.669 -1.879 1.00 0.00 O ATOM 854 CB MET A 57 15.940 -23.607 1.072 1.00 0.00 C ATOM 855 CG MET A 57 16.405 -22.533 2.042 1.00 0.00 C ATOM 856 SD MET A 57 18.099 -22.000 1.727 1.00 0.00 S ATOM 857 CE MET A 57 18.075 -21.831 -0.056 1.00 0.00 C ATOM 0 H MET A 57 13.978 -22.137 1.346 1.00 0.00 H new ATOM 0 HA MET A 57 15.812 -22.404 -0.704 1.00 0.00 H new ATOM 0 HB2 MET A 57 15.313 -24.321 1.606 1.00 0.00 H new ATOM 0 HB3 MET A 57 16.808 -24.156 0.707 1.00 0.00 H new ATOM 0 HG2 MET A 57 15.739 -21.673 1.973 1.00 0.00 H new ATOM 0 HG3 MET A 57 16.331 -22.912 3.061 1.00 0.00 H new ATOM 0 HE1 MET A 57 19.045 -21.472 -0.401 1.00 0.00 H new ATOM 0 HE2 MET A 57 17.864 -22.799 -0.510 1.00 0.00 H new ATOM 0 HE3 MET A 57 17.302 -21.119 -0.344 1.00 0.00 H new ATOM 867 N LYS A 58 13.469 -24.654 -0.808 1.00 0.00 N ATOM 868 CA LYS A 58 12.909 -25.746 -1.596 1.00 0.00 C ATOM 869 C LYS A 58 12.938 -25.414 -3.085 1.00 0.00 C ATOM 870 O LYS A 58 12.926 -26.308 -3.930 1.00 0.00 O ATOM 871 CB LYS A 58 11.473 -26.037 -1.156 1.00 0.00 C ATOM 872 CG LYS A 58 10.515 -24.885 -1.407 1.00 0.00 C ATOM 873 CD LYS A 58 9.226 -25.050 -0.619 1.00 0.00 C ATOM 874 CE LYS A 58 8.486 -26.316 -1.021 1.00 0.00 C ATOM 875 NZ LYS A 58 7.958 -26.233 -2.411 1.00 0.00 N ATOM 0 H LYS A 58 12.839 -24.280 -0.098 1.00 0.00 H new ATOM 0 HA LYS A 58 13.521 -26.632 -1.427 1.00 0.00 H new ATOM 0 HB2 LYS A 58 11.112 -26.920 -1.683 1.00 0.00 H new ATOM 0 HB3 LYS A 58 11.469 -26.277 -0.093 1.00 0.00 H new ATOM 0 HG2 LYS A 58 10.994 -23.946 -1.131 1.00 0.00 H new ATOM 0 HG3 LYS A 58 10.287 -24.825 -2.471 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.451 -25.082 0.447 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.584 -24.184 -0.783 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.157 -27.171 -0.938 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.662 -26.490 -0.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.348 -27.053 -2.600 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 7.406 -25.358 -2.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 8.751 -26.229 -3.084 1.00 0.00 H new ATOM 889 N ILE A 59 12.979 -24.123 -3.397 1.00 0.00 N ATOM 890 CA ILE A 59 13.012 -23.673 -4.783 1.00 0.00 C ATOM 891 C ILE A 59 14.373 -23.945 -5.416 1.00 0.00 C ATOM 892 O ILE A 59 14.473 -24.182 -6.621 1.00 0.00 O ATOM 893 CB ILE A 59 12.697 -22.170 -4.895 1.00 0.00 C ATOM 894 CG1 ILE A 59 13.952 -21.341 -4.613 1.00 0.00 C ATOM 895 CG2 ILE A 59 11.578 -21.791 -3.937 1.00 0.00 C ATOM 896 CD1 ILE A 59 13.745 -19.853 -4.787 1.00 0.00 C ATOM 0 H ILE A 59 12.990 -23.370 -2.709 1.00 0.00 H new ATOM 0 HA ILE A 59 12.246 -24.236 -5.316 1.00 0.00 H new ATOM 0 HB ILE A 59 12.366 -21.958 -5.912 1.00 0.00 H new ATOM 0 HG12 ILE A 59 14.285 -21.536 -3.594 1.00 0.00 H new ATOM 0 HG13 ILE A 59 14.751 -21.669 -5.278 1.00 0.00 H new ATOM 0 HG21 ILE A 59 11.367 -20.726 -4.028 1.00 0.00 H new ATOM 0 HG22 ILE A 59 10.681 -22.361 -4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 59 11.883 -22.015 -2.915 1.00 0.00 H new ATOM 0 HD11 ILE A 59 14.676 -19.328 -4.571 1.00 0.00 H new ATOM 0 HD12 ILE A 59 13.441 -19.645 -5.813 1.00 0.00 H new ATOM 0 HD13 ILE A 59 12.968 -19.511 -4.103 1.00 0.00 H new ATOM 908 N HIS A 60 15.418 -23.910 -4.596 1.00 0.00 N ATOM 909 CA HIS A 60 16.774 -24.155 -5.076 1.00 0.00 C ATOM 910 C HIS A 60 17.102 -25.645 -5.040 1.00 0.00 C ATOM 911 O HIS A 60 17.379 -26.256 -6.073 1.00 0.00 O ATOM 912 CB HIS A 60 17.784 -23.378 -4.231 1.00 0.00 C ATOM 913 CG HIS A 60 17.646 -21.891 -4.349 1.00 0.00 C ATOM 914 ND1 HIS A 60 17.675 -21.226 -5.557 1.00 0.00 N ATOM 915 CD2 HIS A 60 17.475 -20.940 -3.402 1.00 0.00 C ATOM 916 CE1 HIS A 60 17.530 -19.930 -5.347 1.00 0.00 C ATOM 917 NE2 HIS A 60 17.406 -19.730 -4.047 1.00 0.00 N ATOM 0 H HIS A 60 15.353 -23.715 -3.597 1.00 0.00 H new ATOM 0 HA HIS A 60 16.835 -23.812 -6.109 1.00 0.00 H new ATOM 0 HB2 HIS A 60 17.667 -23.664 -3.186 1.00 0.00 H new ATOM 0 HB3 HIS A 60 18.792 -23.666 -4.529 1.00 0.00 H new ATOM 0 HD2 HIS A 60 17.406 -21.103 -2.337 1.00 0.00 H new ATOM 0 HE1 HIS A 60 17.515 -19.164 -6.108 1.00 0.00 H new ATOM 0 HE2 HIS A 60 17.280 -18.824 -3.596 1.00 0.00 H new ATOM 1001 N TYR A 66 7.659 -31.613 -12.276 1.00 0.00 N ATOM 1002 CA TYR A 66 6.429 -30.981 -12.738 1.00 0.00 C ATOM 1003 C TYR A 66 6.488 -29.468 -12.548 1.00 0.00 C ATOM 1004 O TYR A 66 7.008 -28.978 -11.547 1.00 0.00 O ATOM 1005 CB TYR A 66 5.224 -31.553 -11.988 1.00 0.00 C ATOM 1006 CG TYR A 66 5.243 -33.060 -11.873 1.00 0.00 C ATOM 1007 CD1 TYR A 66 5.463 -33.860 -12.987 1.00 0.00 C ATOM 1008 CD2 TYR A 66 5.041 -33.685 -10.648 1.00 0.00 C ATOM 1009 CE1 TYR A 66 5.480 -35.237 -12.886 1.00 0.00 C ATOM 1010 CE2 TYR A 66 5.058 -35.062 -10.537 1.00 0.00 C ATOM 1011 CZ TYR A 66 5.278 -35.834 -11.659 1.00 0.00 C ATOM 1012 OH TYR A 66 5.295 -37.206 -11.554 1.00 0.00 O ATOM 0 HA TYR A 66 6.321 -31.191 -13.802 1.00 0.00 H new ATOM 0 HB2 TYR A 66 5.191 -31.121 -10.988 1.00 0.00 H new ATOM 0 HB3 TYR A 66 4.310 -31.247 -12.498 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.624 -33.397 -13.949 1.00 0.00 H new ATOM 0 HD2 TYR A 66 4.868 -33.084 -9.768 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.651 -35.843 -13.763 1.00 0.00 H new ATOM 0 HE2 TYR A 66 4.900 -35.531 -9.577 1.00 0.00 H new ATOM 0 HH TYR A 66 5.613 -37.462 -10.663 1.00 0.00 H new ATOM 1022 N GLU A 67 5.951 -28.735 -13.518 1.00 0.00 N ATOM 1023 CA GLU A 67 5.943 -27.278 -13.459 1.00 0.00 C ATOM 1024 C GLU A 67 4.708 -26.712 -14.154 1.00 0.00 C ATOM 1025 O GLU A 67 4.439 -27.021 -15.315 1.00 0.00 O ATOM 1026 CB GLU A 67 7.209 -26.712 -14.104 1.00 0.00 C ATOM 1027 CG GLU A 67 7.083 -25.256 -14.518 1.00 0.00 C ATOM 1028 CD GLU A 67 6.639 -25.095 -15.959 1.00 0.00 C ATOM 1029 OE1 GLU A 67 6.407 -26.125 -16.626 1.00 0.00 O ATOM 1030 OE2 GLU A 67 6.523 -23.940 -16.419 1.00 0.00 O ATOM 0 H GLU A 67 5.516 -29.126 -14.354 1.00 0.00 H new ATOM 0 HA GLU A 67 5.916 -26.983 -12.410 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.039 -26.811 -13.404 1.00 0.00 H new ATOM 0 HB3 GLU A 67 7.458 -27.310 -14.981 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.368 -24.757 -13.864 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.043 -24.759 -14.380 1.00 0.00 H new ATOM 1037 N CYS A 68 3.960 -25.883 -13.434 1.00 0.00 N ATOM 1038 CA CYS A 68 2.752 -25.273 -13.979 1.00 0.00 C ATOM 1039 C CYS A 68 3.051 -24.555 -15.292 1.00 0.00 C ATOM 1040 O CYS A 68 4.208 -24.420 -15.689 1.00 0.00 O ATOM 1041 CB CYS A 68 2.153 -24.290 -12.972 1.00 0.00 C ATOM 1042 SG CYS A 68 0.368 -23.996 -13.191 1.00 0.00 S ATOM 0 H CYS A 68 4.169 -25.618 -12.471 1.00 0.00 H new ATOM 0 HA CYS A 68 2.030 -26.066 -14.175 1.00 0.00 H new ATOM 0 HB2 CYS A 68 2.327 -24.667 -11.964 1.00 0.00 H new ATOM 0 HB3 CYS A 68 2.679 -23.339 -13.052 1.00 0.00 H new ATOM 0 HG CYS A 68 -0.163 -23.676 -12.048 1.00 0.00 H new ATOM 1047 N ASN A 69 1.998 -24.095 -15.961 1.00 0.00 N ATOM 1048 CA ASN A 69 2.147 -23.390 -17.229 1.00 0.00 C ATOM 1049 C ASN A 69 1.810 -21.910 -17.072 1.00 0.00 C ATOM 1050 O ASN A 69 2.479 -21.047 -17.641 1.00 0.00 O ATOM 1051 CB ASN A 69 1.247 -24.019 -18.295 1.00 0.00 C ATOM 1052 CG ASN A 69 0.792 -23.013 -19.334 1.00 0.00 C ATOM 1053 OD1 ASN A 69 -0.405 -22.829 -19.553 1.00 0.00 O ATOM 1054 ND2 ASN A 69 1.748 -22.358 -19.981 1.00 0.00 N ATOM 0 H ASN A 69 1.033 -24.198 -15.646 1.00 0.00 H new ATOM 0 HA ASN A 69 3.187 -23.476 -17.544 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.784 -24.829 -18.788 1.00 0.00 H new ATOM 0 HB3 ASN A 69 0.374 -24.461 -17.815 1.00 0.00 H new ATOM 0 HD21 ASN A 69 1.503 -21.670 -20.693 1.00 0.00 H new ATOM 0 HD22 ASN A 69 2.728 -22.543 -19.767 1.00 0.00 H new ATOM 1061 N ILE A 70 0.769 -21.625 -16.297 1.00 0.00 N ATOM 1062 CA ILE A 70 0.345 -20.250 -16.063 1.00 0.00 C ATOM 1063 C ILE A 70 1.343 -19.510 -15.180 1.00 0.00 C ATOM 1064 O ILE A 70 2.009 -18.575 -15.625 1.00 0.00 O ATOM 1065 CB ILE A 70 -1.047 -20.195 -15.406 1.00 0.00 C ATOM 1066 CG1 ILE A 70 -2.083 -20.885 -16.295 1.00 0.00 C ATOM 1067 CG2 ILE A 70 -1.448 -18.752 -15.137 1.00 0.00 C ATOM 1068 CD1 ILE A 70 -2.194 -22.374 -16.050 1.00 0.00 C ATOM 0 H ILE A 70 0.204 -22.328 -15.821 1.00 0.00 H new ATOM 0 HA ILE A 70 0.297 -19.764 -17.037 1.00 0.00 H new ATOM 0 HB ILE A 70 -1.005 -20.724 -14.454 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -3.057 -20.424 -16.129 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -1.824 -20.715 -17.340 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -2.434 -18.729 -14.673 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.721 -18.291 -14.468 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -1.477 -18.201 -16.077 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.947 -22.797 -16.715 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -1.232 -22.847 -16.244 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -2.484 -22.552 -15.014 1.00 0.00 H new ATOM 1080 N CYS A 71 1.442 -19.934 -13.925 1.00 0.00 N ATOM 1081 CA CYS A 71 2.359 -19.313 -12.977 1.00 0.00 C ATOM 1082 C CYS A 71 3.759 -19.907 -13.106 1.00 0.00 C ATOM 1083 O CYS A 71 4.720 -19.385 -12.541 1.00 0.00 O ATOM 1084 CB CYS A 71 1.847 -19.492 -11.546 1.00 0.00 C ATOM 1085 SG CYS A 71 1.560 -21.228 -11.072 1.00 0.00 S ATOM 0 H CYS A 71 0.898 -20.706 -13.540 1.00 0.00 H new ATOM 0 HA CYS A 71 2.412 -18.249 -13.206 1.00 0.00 H new ATOM 0 HB2 CYS A 71 2.567 -19.052 -10.856 1.00 0.00 H new ATOM 0 HB3 CYS A 71 0.916 -18.937 -11.432 1.00 0.00 H new ATOM 0 HG CYS A 71 1.138 -21.896 -12.104 1.00 0.00 H new ATOM 1090 N ALA A 72 3.865 -21.000 -13.853 1.00 0.00 N ATOM 1091 CA ALA A 72 5.147 -21.664 -14.059 1.00 0.00 C ATOM 1092 C ALA A 72 5.733 -22.147 -12.737 1.00 0.00 C ATOM 1093 O ALA A 72 6.949 -22.285 -12.598 1.00 0.00 O ATOM 1094 CB ALA A 72 6.120 -20.727 -14.759 1.00 0.00 C ATOM 0 H ALA A 72 3.079 -21.445 -14.326 1.00 0.00 H new ATOM 0 HA ALA A 72 4.980 -22.535 -14.692 1.00 0.00 H new ATOM 0 HB1 ALA A 72 7.073 -21.236 -14.906 1.00 0.00 H new ATOM 0 HB2 ALA A 72 5.711 -20.435 -15.726 1.00 0.00 H new ATOM 0 HB3 ALA A 72 6.274 -19.839 -14.147 1.00 0.00 H new ATOM 1100 N LYS A 73 4.862 -22.402 -11.767 1.00 0.00 N ATOM 1101 CA LYS A 73 5.292 -22.870 -10.454 1.00 0.00 C ATOM 1102 C LYS A 73 5.901 -24.266 -10.548 1.00 0.00 C ATOM 1103 O LYS A 73 5.624 -25.012 -11.487 1.00 0.00 O ATOM 1104 CB LYS A 73 4.111 -22.881 -9.481 1.00 0.00 C ATOM 1105 CG LYS A 73 3.914 -21.565 -8.749 1.00 0.00 C ATOM 1106 CD LYS A 73 2.689 -21.605 -7.851 1.00 0.00 C ATOM 1107 CE LYS A 73 2.430 -20.254 -7.202 1.00 0.00 C ATOM 1108 NZ LYS A 73 1.106 -20.210 -6.521 1.00 0.00 N ATOM 0 H LYS A 73 3.853 -22.292 -11.865 1.00 0.00 H new ATOM 0 HA LYS A 73 6.053 -22.184 -10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 73 3.201 -23.121 -10.030 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.261 -23.675 -8.750 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.798 -21.344 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.809 -20.757 -9.473 1.00 0.00 H new ATOM 0 HD2 LYS A 73 1.818 -21.902 -8.435 1.00 0.00 H new ATOM 0 HD3 LYS A 73 2.828 -22.361 -7.078 1.00 0.00 H new ATOM 0 HE2 LYS A 73 3.217 -20.042 -6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.474 -19.472 -7.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 0.967 -19.273 -6.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 0.352 -20.387 -7.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 1.072 -20.939 -5.780 1.00 0.00 H new ATOM 1122 N ARG A 74 6.729 -24.612 -9.568 1.00 0.00 N ATOM 1123 CA ARG A 74 7.377 -25.918 -9.540 1.00 0.00 C ATOM 1124 C ARG A 74 6.881 -26.745 -8.357 1.00 0.00 C ATOM 1125 O ARG A 74 6.783 -26.247 -7.235 1.00 0.00 O ATOM 1126 CB ARG A 74 8.896 -25.756 -9.462 1.00 0.00 C ATOM 1127 CG ARG A 74 9.488 -24.995 -10.636 1.00 0.00 C ATOM 1128 CD ARG A 74 10.915 -24.554 -10.351 1.00 0.00 C ATOM 1129 NE ARG A 74 10.962 -23.372 -9.495 1.00 0.00 N ATOM 1130 CZ ARG A 74 12.019 -22.572 -9.403 1.00 0.00 C ATOM 1131 NH1 ARG A 74 13.110 -22.825 -10.113 1.00 0.00 N ATOM 1132 NH2 ARG A 74 11.985 -21.515 -8.602 1.00 0.00 N ATOM 0 H ARG A 74 6.967 -24.006 -8.783 1.00 0.00 H new ATOM 0 HA ARG A 74 7.122 -26.443 -10.461 1.00 0.00 H new ATOM 0 HB2 ARG A 74 9.151 -25.237 -8.538 1.00 0.00 H new ATOM 0 HB3 ARG A 74 9.356 -26.743 -9.410 1.00 0.00 H new ATOM 0 HG2 ARG A 74 9.471 -25.625 -11.525 1.00 0.00 H new ATOM 0 HG3 ARG A 74 8.873 -24.122 -10.853 1.00 0.00 H new ATOM 0 HD2 ARG A 74 11.458 -25.369 -9.873 1.00 0.00 H new ATOM 0 HD3 ARG A 74 11.423 -24.341 -11.291 1.00 0.00 H new ATOM 0 HE ARG A 74 10.138 -23.148 -8.937 1.00 0.00 H new ATOM 0 HH11 ARG A 74 13.139 -23.635 -10.732 1.00 0.00 H new ATOM 0 HH12 ARG A 74 13.920 -22.209 -10.040 1.00 0.00 H new ATOM 0 HH21 ARG A 74 11.147 -21.316 -8.056 1.00 0.00 H new ATOM 0 HH22 ARG A 74 12.797 -20.902 -8.532 1.00 0.00 H new ATOM 1146 N PHE A 75 6.569 -28.010 -8.616 1.00 0.00 N ATOM 1147 CA PHE A 75 6.082 -28.906 -7.574 1.00 0.00 C ATOM 1148 C PHE A 75 6.906 -30.190 -7.531 1.00 0.00 C ATOM 1149 O PHE A 75 7.543 -30.564 -8.515 1.00 0.00 O ATOM 1150 CB PHE A 75 4.607 -29.241 -7.808 1.00 0.00 C ATOM 1151 CG PHE A 75 3.723 -28.030 -7.889 1.00 0.00 C ATOM 1152 CD1 PHE A 75 3.678 -27.266 -9.044 1.00 0.00 C ATOM 1153 CD2 PHE A 75 2.938 -27.656 -6.811 1.00 0.00 C ATOM 1154 CE1 PHE A 75 2.865 -26.151 -9.123 1.00 0.00 C ATOM 1155 CE2 PHE A 75 2.122 -26.542 -6.884 1.00 0.00 C ATOM 1156 CZ PHE A 75 2.087 -25.788 -8.041 1.00 0.00 C ATOM 0 H PHE A 75 6.645 -28.438 -9.539 1.00 0.00 H new ATOM 0 HA PHE A 75 6.185 -28.397 -6.616 1.00 0.00 H new ATOM 0 HB2 PHE A 75 4.514 -29.811 -8.732 1.00 0.00 H new ATOM 0 HB3 PHE A 75 4.256 -29.884 -7.001 1.00 0.00 H new ATOM 0 HD1 PHE A 75 4.285 -27.545 -9.892 1.00 0.00 H new ATOM 0 HD2 PHE A 75 2.963 -28.241 -5.903 1.00 0.00 H new ATOM 0 HE1 PHE A 75 2.838 -25.564 -10.029 1.00 0.00 H new ATOM 0 HE2 PHE A 75 1.513 -26.262 -6.037 1.00 0.00 H new ATOM 0 HZ PHE A 75 1.452 -24.916 -8.099 1.00 0.00 H new ATOM 1166 N MET A 76 6.889 -30.859 -6.383 1.00 0.00 N ATOM 1167 CA MET A 76 7.634 -32.100 -6.211 1.00 0.00 C ATOM 1168 C MET A 76 6.723 -33.311 -6.390 1.00 0.00 C ATOM 1169 O MET A 76 7.125 -34.322 -6.965 1.00 0.00 O ATOM 1170 CB MET A 76 8.289 -32.141 -4.829 1.00 0.00 C ATOM 1171 CG MET A 76 7.293 -32.273 -3.688 1.00 0.00 C ATOM 1172 SD MET A 76 8.054 -32.037 -2.071 1.00 0.00 S ATOM 1173 CE MET A 76 8.973 -33.565 -1.903 1.00 0.00 C ATOM 0 H MET A 76 6.367 -30.562 -5.558 1.00 0.00 H new ATOM 0 HA MET A 76 8.411 -32.135 -6.974 1.00 0.00 H new ATOM 0 HB2 MET A 76 8.986 -32.978 -4.791 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.874 -31.233 -4.686 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.496 -31.541 -3.820 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.830 -33.259 -3.727 1.00 0.00 H new ATOM 0 HE1 MET A 76 9.442 -33.601 -0.920 1.00 0.00 H new ATOM 0 HE2 MET A 76 8.295 -34.411 -2.013 1.00 0.00 H new ATOM 0 HE3 MET A 76 9.742 -33.614 -2.674 1.00 0.00 H new ATOM 1183 N TRP A 77 5.496 -33.199 -5.895 1.00 0.00 N ATOM 1184 CA TRP A 77 4.528 -34.286 -6.001 1.00 0.00 C ATOM 1185 C TRP A 77 3.665 -34.126 -7.247 1.00 0.00 C ATOM 1186 O TRP A 77 3.319 -33.010 -7.635 1.00 0.00 O ATOM 1187 CB TRP A 77 3.642 -34.330 -4.754 1.00 0.00 C ATOM 1188 CG TRP A 77 4.415 -34.512 -3.483 1.00 0.00 C ATOM 1189 CD1 TRP A 77 4.785 -33.536 -2.602 1.00 0.00 C ATOM 1190 CD2 TRP A 77 4.913 -35.745 -2.952 1.00 0.00 C ATOM 1191 NE1 TRP A 77 5.483 -34.089 -1.555 1.00 0.00 N ATOM 1192 CE2 TRP A 77 5.575 -35.442 -1.746 1.00 0.00 C ATOM 1193 CE3 TRP A 77 4.862 -37.075 -3.376 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 6.181 -36.421 -0.963 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 5.465 -38.046 -2.599 1.00 0.00 C ATOM 1196 CH2 TRP A 77 6.116 -37.715 -1.403 1.00 0.00 C ATOM 0 H TRP A 77 5.147 -32.368 -5.417 1.00 0.00 H new ATOM 0 HA TRP A 77 5.078 -35.224 -6.081 1.00 0.00 H new ATOM 0 HB2 TRP A 77 3.067 -33.406 -4.692 1.00 0.00 H new ATOM 0 HB3 TRP A 77 2.925 -35.145 -4.855 1.00 0.00 H new ATOM 0 HD1 TRP A 77 4.562 -32.485 -2.712 1.00 0.00 H new ATOM 0 HE1 TRP A 77 5.870 -33.575 -0.764 1.00 0.00 H new ATOM 0 HE3 TRP A 77 4.360 -37.340 -4.295 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 6.684 -36.168 -0.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 5.434 -39.077 -2.919 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.576 -38.497 -0.817 1.00 0.00 H new ATOM 1207 N ARG A 78 3.321 -35.248 -7.871 1.00 0.00 N ATOM 1208 CA ARG A 78 2.499 -35.232 -9.075 1.00 0.00 C ATOM 1209 C ARG A 78 1.066 -34.821 -8.749 1.00 0.00 C ATOM 1210 O ARG A 78 0.450 -34.046 -9.480 1.00 0.00 O ATOM 1211 CB ARG A 78 2.507 -36.608 -9.743 1.00 0.00 C ATOM 1212 CG ARG A 78 1.492 -36.746 -10.866 1.00 0.00 C ATOM 1213 CD ARG A 78 2.052 -36.244 -12.187 1.00 0.00 C ATOM 1214 NE ARG A 78 1.295 -36.750 -13.330 1.00 0.00 N ATOM 1215 CZ ARG A 78 1.735 -36.701 -14.582 1.00 0.00 C ATOM 1216 NH1 ARG A 78 2.921 -36.173 -14.852 1.00 0.00 N ATOM 1217 NH2 ARG A 78 0.988 -37.181 -15.568 1.00 0.00 N ATOM 0 H ARG A 78 3.599 -36.180 -7.563 1.00 0.00 H new ATOM 0 HA ARG A 78 2.921 -34.500 -9.763 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.503 -36.804 -10.139 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.308 -37.370 -8.989 1.00 0.00 H new ATOM 0 HG2 ARG A 78 1.199 -37.791 -10.967 1.00 0.00 H new ATOM 0 HG3 ARG A 78 0.591 -36.186 -10.615 1.00 0.00 H new ATOM 0 HD2 ARG A 78 2.037 -35.154 -12.196 1.00 0.00 H new ATOM 0 HD3 ARG A 78 3.094 -36.550 -12.278 1.00 0.00 H new ATOM 0 HE ARG A 78 0.379 -37.163 -13.157 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.498 -35.803 -14.097 1.00 0.00 H new ATOM 0 HH12 ARG A 78 3.256 -36.137 -15.815 1.00 0.00 H new ATOM 0 HH21 ARG A 78 0.075 -37.588 -15.365 1.00 0.00 H new ATOM 0 HH22 ARG A 78 1.327 -37.143 -16.529 1.00 0.00 H new ATOM 1231 N ASP A 79 0.541 -35.347 -7.648 1.00 0.00 N ATOM 1232 CA ASP A 79 -0.819 -35.035 -7.224 1.00 0.00 C ATOM 1233 C ASP A 79 -0.993 -33.534 -7.017 1.00 0.00 C ATOM 1234 O ASP A 79 -2.030 -32.966 -7.358 1.00 0.00 O ATOM 1235 CB ASP A 79 -1.158 -35.784 -5.934 1.00 0.00 C ATOM 1236 CG ASP A 79 -0.106 -35.593 -4.860 1.00 0.00 C ATOM 1237 OD1 ASP A 79 -0.232 -34.636 -4.068 1.00 0.00 O ATOM 1238 OD2 ASP A 79 0.845 -36.402 -4.811 1.00 0.00 O ATOM 0 H ASP A 79 1.037 -35.992 -7.033 1.00 0.00 H new ATOM 0 HA ASP A 79 -1.501 -35.356 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -2.122 -35.439 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -1.262 -36.847 -6.151 1.00 0.00 H new ATOM 1243 N SER A 80 0.029 -32.897 -6.454 1.00 0.00 N ATOM 1244 CA SER A 80 -0.012 -31.463 -6.196 1.00 0.00 C ATOM 1245 C SER A 80 0.017 -30.675 -7.503 1.00 0.00 C ATOM 1246 O SER A 80 -0.754 -29.734 -7.691 1.00 0.00 O ATOM 1247 CB SER A 80 1.164 -31.048 -5.311 1.00 0.00 C ATOM 1248 OG SER A 80 0.824 -29.938 -4.498 1.00 0.00 O ATOM 0 H SER A 80 0.896 -33.352 -6.168 1.00 0.00 H new ATOM 0 HA SER A 80 -0.944 -31.239 -5.677 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.463 -31.886 -4.681 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.022 -30.797 -5.935 1.00 0.00 H new ATOM 0 HG SER A 80 1.592 -29.693 -3.941 1.00 0.00 H new ATOM 1254 N PHE A 81 0.913 -31.067 -8.402 1.00 0.00 N ATOM 1255 CA PHE A 81 1.045 -30.398 -9.691 1.00 0.00 C ATOM 1256 C PHE A 81 -0.298 -30.334 -10.411 1.00 0.00 C ATOM 1257 O PHE A 81 -0.801 -29.253 -10.719 1.00 0.00 O ATOM 1258 CB PHE A 81 2.071 -31.124 -10.564 1.00 0.00 C ATOM 1259 CG PHE A 81 2.012 -30.730 -12.012 1.00 0.00 C ATOM 1260 CD1 PHE A 81 2.464 -29.487 -12.425 1.00 0.00 C ATOM 1261 CD2 PHE A 81 1.503 -31.603 -12.961 1.00 0.00 C ATOM 1262 CE1 PHE A 81 2.411 -29.122 -13.757 1.00 0.00 C ATOM 1263 CE2 PHE A 81 1.449 -31.243 -14.294 1.00 0.00 C ATOM 1264 CZ PHE A 81 1.902 -30.001 -14.692 1.00 0.00 C ATOM 0 H PHE A 81 1.558 -31.844 -8.262 1.00 0.00 H new ATOM 0 HA PHE A 81 1.389 -29.380 -9.510 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.071 -30.921 -10.181 1.00 0.00 H new ATOM 0 HB3 PHE A 81 1.911 -32.199 -10.481 1.00 0.00 H new ATOM 0 HD1 PHE A 81 2.862 -28.795 -11.698 1.00 0.00 H new ATOM 0 HD2 PHE A 81 1.145 -32.575 -12.655 1.00 0.00 H new ATOM 0 HE1 PHE A 81 2.767 -28.150 -14.066 1.00 0.00 H new ATOM 0 HE2 PHE A 81 1.053 -31.933 -15.024 1.00 0.00 H new ATOM 0 HZ PHE A 81 1.858 -29.718 -15.733 1.00 0.00 H new ATOM 1274 N HIS A 82 -0.875 -31.502 -10.678 1.00 0.00 N ATOM 1275 CA HIS A 82 -2.161 -31.581 -11.362 1.00 0.00 C ATOM 1276 C HIS A 82 -3.267 -30.958 -10.515 1.00 0.00 C ATOM 1277 O HIS A 82 -4.091 -30.194 -11.017 1.00 0.00 O ATOM 1278 CB HIS A 82 -2.505 -33.036 -11.681 1.00 0.00 C ATOM 1279 CG HIS A 82 -2.003 -33.491 -13.017 1.00 0.00 C ATOM 1280 ND1 HIS A 82 -1.495 -34.753 -13.240 1.00 0.00 N ATOM 1281 CD2 HIS A 82 -1.935 -32.845 -14.204 1.00 0.00 C ATOM 1282 CE1 HIS A 82 -1.134 -34.863 -14.506 1.00 0.00 C ATOM 1283 NE2 HIS A 82 -1.391 -33.719 -15.113 1.00 0.00 N ATOM 0 H HIS A 82 -0.472 -32.406 -10.431 1.00 0.00 H new ATOM 0 HA HIS A 82 -2.083 -31.021 -12.294 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -2.086 -33.678 -10.906 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -3.587 -33.161 -11.647 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -2.250 -31.831 -14.400 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.702 -35.739 -14.966 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -1.214 -33.517 -16.097 1.00 0.00 H new ATOM 1291 N ARG A 83 -3.278 -31.292 -9.228 1.00 0.00 N ATOM 1292 CA ARG A 83 -4.283 -30.767 -8.312 1.00 0.00 C ATOM 1293 C ARG A 83 -4.321 -29.242 -8.361 1.00 0.00 C ATOM 1294 O ARG A 83 -5.391 -28.635 -8.303 1.00 0.00 O ATOM 1295 CB ARG A 83 -3.996 -31.235 -6.884 1.00 0.00 C ATOM 1296 CG ARG A 83 -4.848 -30.542 -5.833 1.00 0.00 C ATOM 1297 CD ARG A 83 -4.344 -30.831 -4.428 1.00 0.00 C ATOM 1298 NE ARG A 83 -5.170 -30.191 -3.408 1.00 0.00 N ATOM 1299 CZ ARG A 83 -5.021 -28.927 -3.028 1.00 0.00 C ATOM 1300 NH1 ARG A 83 -4.082 -28.171 -3.581 1.00 0.00 N ATOM 1301 NH2 ARG A 83 -5.812 -28.416 -2.093 1.00 0.00 N ATOM 0 H ARG A 83 -2.603 -31.923 -8.797 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.256 -31.147 -8.624 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -4.162 -32.311 -6.823 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.944 -31.062 -6.658 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -4.841 -29.466 -6.009 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -5.882 -30.874 -5.925 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.332 -31.908 -4.262 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -3.316 -30.482 -4.333 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.902 -30.745 -2.963 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -3.472 -28.560 -4.300 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -3.970 -27.201 -3.287 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.535 -28.994 -1.665 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -5.697 -27.445 -1.802 1.00 0.00 H new ATOM 1315 N HIS A 84 -3.147 -28.630 -8.469 1.00 0.00 N ATOM 1316 CA HIS A 84 -3.045 -27.176 -8.527 1.00 0.00 C ATOM 1317 C HIS A 84 -3.313 -26.668 -9.940 1.00 0.00 C ATOM 1318 O HIS A 84 -4.228 -25.875 -10.163 1.00 0.00 O ATOM 1319 CB HIS A 84 -1.661 -26.721 -8.063 1.00 0.00 C ATOM 1320 CG HIS A 84 -1.261 -25.381 -8.598 1.00 0.00 C ATOM 1321 ND1 HIS A 84 -1.250 -24.236 -7.829 1.00 0.00 N ATOM 1322 CD2 HIS A 84 -0.853 -25.006 -9.833 1.00 0.00 C ATOM 1323 CE1 HIS A 84 -0.855 -23.215 -8.569 1.00 0.00 C ATOM 1324 NE2 HIS A 84 -0.607 -23.656 -9.789 1.00 0.00 N ATOM 0 H HIS A 84 -2.253 -29.118 -8.518 1.00 0.00 H new ATOM 0 HA HIS A 84 -3.799 -26.757 -7.860 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -1.645 -26.688 -6.974 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -0.922 -27.461 -8.370 1.00 0.00 H new ATOM 0 HD1 HIS A 84 -1.507 -24.185 -6.843 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.742 -25.649 -10.693 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -0.752 -22.194 -8.233 1.00 0.00 H new ATOM 1332 N VAL A 85 -2.508 -27.129 -10.892 1.00 0.00 N ATOM 1333 CA VAL A 85 -2.659 -26.722 -12.284 1.00 0.00 C ATOM 1334 C VAL A 85 -4.116 -26.799 -12.725 1.00 0.00 C ATOM 1335 O VAL A 85 -4.662 -25.842 -13.275 1.00 0.00 O ATOM 1336 CB VAL A 85 -1.803 -27.597 -13.220 1.00 0.00 C ATOM 1337 CG1 VAL A 85 -1.912 -27.107 -14.656 1.00 0.00 C ATOM 1338 CG2 VAL A 85 -0.353 -27.609 -12.760 1.00 0.00 C ATOM 0 H VAL A 85 -1.745 -27.785 -10.725 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.317 -25.689 -12.351 1.00 0.00 H new ATOM 0 HB VAL A 85 -2.181 -28.619 -13.180 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -1.301 -27.737 -15.303 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -2.952 -27.156 -14.979 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -1.561 -26.077 -14.716 1.00 0.00 H new ATOM 0 HG21 VAL A 85 0.237 -28.232 -13.432 1.00 0.00 H new ATOM 0 HG22 VAL A 85 0.040 -26.592 -12.769 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.295 -28.012 -11.749 1.00 0.00 H new ATOM 1348 N THR A 86 -4.743 -27.945 -12.479 1.00 0.00 N ATOM 1349 CA THR A 86 -6.137 -28.148 -12.851 1.00 0.00 C ATOM 1350 C THR A 86 -6.982 -26.928 -12.506 1.00 0.00 C ATOM 1351 O THR A 86 -8.009 -26.673 -13.135 1.00 0.00 O ATOM 1352 CB THR A 86 -6.731 -29.385 -12.150 1.00 0.00 C ATOM 1353 OG1 THR A 86 -7.873 -29.858 -12.875 1.00 0.00 O ATOM 1354 CG2 THR A 86 -7.133 -29.055 -10.720 1.00 0.00 C ATOM 0 H THR A 86 -4.307 -28.747 -12.024 1.00 0.00 H new ATOM 0 HA THR A 86 -6.156 -28.306 -13.929 1.00 0.00 H new ATOM 0 HB THR A 86 -5.968 -30.163 -12.126 1.00 0.00 H new ATOM 0 HG1 THR A 86 -8.244 -30.645 -12.424 1.00 0.00 H new ATOM 0 HG21 THR A 86 -7.550 -29.943 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 86 -6.257 -28.723 -10.163 1.00 0.00 H new ATOM 0 HG23 THR A 86 -7.881 -28.262 -10.726 1.00 0.00 H new ATOM 1362 N SER A 87 -6.543 -26.175 -11.502 1.00 0.00 N ATOM 1363 CA SER A 87 -7.262 -24.981 -11.071 1.00 0.00 C ATOM 1364 C SER A 87 -6.590 -23.720 -11.605 1.00 0.00 C ATOM 1365 O SER A 87 -7.260 -22.780 -12.035 1.00 0.00 O ATOM 1366 CB SER A 87 -7.332 -24.927 -9.543 1.00 0.00 C ATOM 1367 OG SER A 87 -8.117 -25.989 -9.031 1.00 0.00 O ATOM 0 H SER A 87 -5.694 -26.370 -10.972 1.00 0.00 H new ATOM 0 HA SER A 87 -8.274 -25.031 -11.473 1.00 0.00 H new ATOM 0 HB2 SER A 87 -6.326 -24.981 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 87 -7.756 -23.973 -9.229 1.00 0.00 H new ATOM 0 HG SER A 87 -8.145 -25.933 -8.053 1.00 0.00 H new ATOM 1373 N CYS A 88 -5.262 -23.707 -11.576 1.00 0.00 N ATOM 1374 CA CYS A 88 -4.497 -22.563 -12.056 1.00 0.00 C ATOM 1375 C CYS A 88 -4.899 -22.200 -13.483 1.00 0.00 C ATOM 1376 O CYS A 88 -4.692 -21.071 -13.931 1.00 0.00 O ATOM 1377 CB CYS A 88 -2.998 -22.864 -11.999 1.00 0.00 C ATOM 1378 SG CYS A 88 -1.938 -21.385 -12.091 1.00 0.00 S ATOM 0 H CYS A 88 -4.693 -24.477 -11.225 1.00 0.00 H new ATOM 0 HA CYS A 88 -4.715 -21.714 -11.408 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -2.780 -23.397 -11.073 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -2.741 -23.533 -12.820 1.00 0.00 H new ATOM 0 HG CYS A 88 -0.751 -21.674 -11.647 1.00 0.00 H new ATOM 1383 N THR A 89 -5.477 -23.164 -14.193 1.00 0.00 N ATOM 1384 CA THR A 89 -5.908 -22.948 -15.568 1.00 0.00 C ATOM 1385 C THR A 89 -7.316 -22.367 -15.617 1.00 0.00 C ATOM 1386 O THR A 89 -7.560 -21.358 -16.280 1.00 0.00 O ATOM 1387 CB THR A 89 -5.876 -24.256 -16.379 1.00 0.00 C ATOM 1388 OG1 THR A 89 -4.591 -24.877 -16.258 1.00 0.00 O ATOM 1389 CG2 THR A 89 -6.179 -23.991 -17.846 1.00 0.00 C ATOM 0 H THR A 89 -5.657 -24.103 -13.838 1.00 0.00 H new ATOM 0 HA THR A 89 -5.209 -22.238 -16.011 1.00 0.00 H new ATOM 0 HB THR A 89 -6.641 -24.923 -15.980 1.00 0.00 H new ATOM 0 HG1 THR A 89 -4.494 -25.256 -15.359 1.00 0.00 H new ATOM 0 HG21 THR A 89 -6.151 -24.930 -18.399 1.00 0.00 H new ATOM 0 HG22 THR A 89 -7.169 -23.545 -17.938 1.00 0.00 H new ATOM 0 HG23 THR A 89 -5.434 -23.307 -18.254 1.00 0.00 H new ATOM 1397 N LYS A 90 -8.241 -23.009 -14.912 1.00 0.00 N ATOM 1398 CA LYS A 90 -9.627 -22.556 -14.874 1.00 0.00 C ATOM 1399 C LYS A 90 -9.703 -21.033 -14.932 1.00 0.00 C ATOM 1400 O LYS A 90 -10.351 -20.468 -15.812 1.00 0.00 O ATOM 1401 CB LYS A 90 -10.316 -23.064 -13.605 1.00 0.00 C ATOM 1402 CG LYS A 90 -10.792 -24.502 -13.706 1.00 0.00 C ATOM 1403 CD LYS A 90 -11.187 -25.056 -12.347 1.00 0.00 C ATOM 1404 CE LYS A 90 -12.609 -24.662 -11.977 1.00 0.00 C ATOM 1405 NZ LYS A 90 -13.617 -25.535 -12.639 1.00 0.00 N ATOM 0 H LYS A 90 -8.056 -23.846 -14.359 1.00 0.00 H new ATOM 0 HA LYS A 90 -10.140 -22.961 -15.746 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -9.625 -22.977 -12.767 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -11.169 -22.423 -13.383 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -11.644 -24.557 -14.384 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -10.002 -25.118 -14.135 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -11.100 -26.142 -12.356 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -10.497 -24.688 -11.588 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -12.732 -24.721 -10.896 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -12.784 -23.625 -12.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -14.573 -25.234 -12.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -13.517 -25.460 -13.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -13.467 -26.522 -12.347 1.00 0.00 H new ATOM 1419 N SER A 91 -9.035 -20.376 -13.989 1.00 0.00 N ATOM 1420 CA SER A 91 -9.029 -18.919 -13.932 1.00 0.00 C ATOM 1421 C SER A 91 -8.400 -18.328 -15.191 1.00 0.00 C ATOM 1422 O SER A 91 -8.908 -17.359 -15.755 1.00 0.00 O ATOM 1423 CB SER A 91 -8.268 -18.439 -12.695 1.00 0.00 C ATOM 1424 OG SER A 91 -9.027 -18.646 -11.516 1.00 0.00 O ATOM 0 H SER A 91 -8.491 -20.829 -13.255 1.00 0.00 H new ATOM 0 HA SER A 91 -10.063 -18.579 -13.869 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.320 -18.971 -12.619 1.00 0.00 H new ATOM 0 HB3 SER A 91 -8.032 -17.380 -12.798 1.00 0.00 H new ATOM 0 HG SER A 91 -8.518 -18.332 -10.740 1.00 0.00 H new ATOM 1430 N TYR A 92 -7.293 -18.920 -15.624 1.00 0.00 N ATOM 1431 CA TYR A 92 -6.592 -18.452 -16.814 1.00 0.00 C ATOM 1432 C TYR A 92 -7.520 -18.445 -18.025 1.00 0.00 C ATOM 1433 O TYR A 92 -7.689 -17.420 -18.686 1.00 0.00 O ATOM 1434 CB TYR A 92 -5.375 -19.335 -17.096 1.00 0.00 C ATOM 1435 CG TYR A 92 -4.790 -19.138 -18.476 1.00 0.00 C ATOM 1436 CD1 TYR A 92 -5.378 -19.724 -19.590 1.00 0.00 C ATOM 1437 CD2 TYR A 92 -3.650 -18.368 -18.665 1.00 0.00 C ATOM 1438 CE1 TYR A 92 -4.847 -19.548 -20.854 1.00 0.00 C ATOM 1439 CE2 TYR A 92 -3.113 -18.185 -19.925 1.00 0.00 C ATOM 1440 CZ TYR A 92 -3.715 -18.777 -21.016 1.00 0.00 C ATOM 1441 OH TYR A 92 -3.182 -18.598 -22.272 1.00 0.00 O ATOM 0 H TYR A 92 -6.862 -19.725 -15.169 1.00 0.00 H new ATOM 0 HA TYR A 92 -6.257 -17.431 -16.629 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -4.606 -19.128 -16.352 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -5.660 -20.380 -16.977 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -6.265 -20.327 -19.466 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -3.175 -17.904 -17.813 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -5.316 -20.011 -21.710 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -2.227 -17.582 -20.055 1.00 0.00 H new ATOM 0 HH TYR A 92 -2.387 -18.028 -22.212 1.00 0.00 H new ATOM 1451 N GLU A 93 -8.120 -19.597 -18.310 1.00 0.00 N ATOM 1452 CA GLU A 93 -9.031 -19.724 -19.441 1.00 0.00 C ATOM 1453 C GLU A 93 -10.126 -18.663 -19.380 1.00 0.00 C ATOM 1454 O GLU A 93 -10.438 -18.019 -20.382 1.00 0.00 O ATOM 1455 CB GLU A 93 -9.660 -21.119 -19.464 1.00 0.00 C ATOM 1456 CG GLU A 93 -8.700 -22.211 -19.906 1.00 0.00 C ATOM 1457 CD GLU A 93 -9.414 -23.415 -20.488 1.00 0.00 C ATOM 1458 OE1 GLU A 93 -10.516 -23.237 -21.049 1.00 0.00 O ATOM 1459 OE2 GLU A 93 -8.873 -24.536 -20.383 1.00 0.00 O ATOM 0 H GLU A 93 -7.991 -20.455 -17.773 1.00 0.00 H new ATOM 0 HA GLU A 93 -8.456 -19.577 -20.355 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -10.034 -21.357 -18.468 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -10.520 -21.110 -20.134 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -8.013 -21.806 -20.649 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -8.098 -22.527 -19.054 1.00 0.00 H new