USER MOD reduce.3.24.130724 H: found=0, std=0, add=592, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 582 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 23 CYS SG : rot -127:sc= -1.21! USER MOD Set 1.2: A 26 CYS SG : rot 72:sc= 0.313 USER MOD Set 1.3: A 58 CYS SG : rot 175:sc= 0.984 USER MOD Set 1.4: A 61 CYS SG : rot -52:sc= 1.01 USER MOD Set 1.5: A 64 ASN : amide:sc= 0 X(o=1.1,f=1.1) USER MOD Set 2.1: A 30 CYS SG : rot 174:sc= 1.6 USER MOD Set 2.2: A 33 CYS SG : rot -60:sc= 0.843 USER MOD Set 2.3: A 73 CYS SG : rot -134:sc= 0.653 USER MOD Set 2.4: A 76 CYS SG : rot 142:sc= -1.49 USER MOD Set 3.1: A 11 CYS SG : rot 165:sc= 0.74 USER MOD Set 3.2: A 13 LYS NZ :NH3+ -166:sc= -1.16 (180deg=0) USER MOD Set 3.3: A 46 CYS SG : rot -131:sc= -2.58! USER MOD Set 3.4: A 48 ASN : amide:sc= -1.13 K(o=-4.3,f=-5.2) USER MOD Set 3.5: A 49 CYS SG : rot 161:sc= -1.44 USER MOD Set 3.6: A 86 CYS SG : rot 152:sc= 1.25 USER MOD Single : A 10 MET CE :methyl 169:sc= -0.332 (180deg=-0.665) USER MOD Single : A 14 GLN :FLIP amide:sc= -0.821 F(o=-1.8!,f=-0.82) USER MOD Single : A 18 GLN : amide:sc= -0.569 K(o=-0.57,f=-3.4!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -130:sc= 0.637 USER MOD Single : A 40 LYS NZ :NH3+ -121:sc= -0.0694 (180deg=-0.118) USER MOD Single : A 42 LYS NZ :NH3+ -142:sc= 1.28 (180deg=0.2) USER MOD Single : A 50 SER OG : rot -80:sc= -0.163 USER MOD Single : A 56 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00693) USER MOD Single : A 57 ASN : amide:sc= -0.146 K(o=-0.15,f=-0.71) USER MOD Single : A 62 ASN : amide:sc= -1.93 K(o=-1.9,f=-4.6!) USER MOD Single : A 68 ASN : amide:sc= -2.81 K(o=-2.8,f=-3.7!) USER MOD Single : A 72 TYR OH : rot -30:sc= 0.261 USER MOD Single : A 77 CYS SG : rot 170:sc=-0.000166 USER MOD Single : A 81 LYS NZ :NH3+ 170:sc=-0.00692 (180deg=-0.127) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 168 N MET A 10 -3.631 -3.955 -9.483 1.00 0.00 N ATOM 169 CA MET A 10 -2.764 -2.955 -8.867 1.00 0.00 C ATOM 170 C MET A 10 -1.471 -2.745 -9.651 1.00 0.00 C ATOM 171 O MET A 10 -1.034 -3.611 -10.412 1.00 0.00 O ATOM 172 CB MET A 10 -2.454 -3.305 -7.406 1.00 0.00 C ATOM 173 CG MET A 10 -2.107 -4.762 -7.158 1.00 0.00 C ATOM 174 SD MET A 10 -1.517 -5.054 -5.478 1.00 0.00 S ATOM 175 CE MET A 10 -2.778 -4.233 -4.504 1.00 0.00 C ATOM 0 HA MET A 10 -3.316 -2.015 -8.887 1.00 0.00 H new ATOM 0 HB2 MET A 10 -1.623 -2.686 -7.068 1.00 0.00 H new ATOM 0 HB3 MET A 10 -3.317 -3.043 -6.794 1.00 0.00 H new ATOM 0 HG2 MET A 10 -2.987 -5.378 -7.343 1.00 0.00 H new ATOM 0 HG3 MET A 10 -1.342 -5.076 -7.868 1.00 0.00 H new ATOM 0 HE1 MET A 10 -2.654 -4.495 -3.453 1.00 0.00 H new ATOM 0 HE2 MET A 10 -2.684 -3.154 -4.623 1.00 0.00 H new ATOM 0 HE3 MET A 10 -3.764 -4.551 -4.843 1.00 0.00 H new ATOM 185 N CYS A 11 -0.952 -1.527 -9.527 1.00 0.00 N ATOM 186 CA CYS A 11 0.218 -1.051 -10.265 1.00 0.00 C ATOM 187 C CYS A 11 1.334 -2.098 -10.336 1.00 0.00 C ATOM 188 O CYS A 11 1.714 -2.536 -11.425 1.00 0.00 O ATOM 189 CB CYS A 11 0.713 0.207 -9.563 1.00 0.00 C ATOM 190 SG CYS A 11 2.154 1.004 -10.290 1.00 0.00 S ATOM 0 H CYS A 11 -1.341 -0.826 -8.896 1.00 0.00 H new ATOM 0 HA CYS A 11 -0.067 -0.846 -11.297 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.103 0.930 -9.538 1.00 0.00 H new ATOM 0 HB3 CYS A 11 0.946 -0.046 -8.529 1.00 0.00 H new ATOM 0 HG CYS A 11 2.275 2.205 -9.807 1.00 0.00 H new ATOM 195 N LEU A 12 1.767 -2.551 -9.167 1.00 0.00 N ATOM 196 CA LEU A 12 2.748 -3.623 -9.038 1.00 0.00 C ATOM 197 C LEU A 12 4.018 -3.390 -9.845 1.00 0.00 C ATOM 198 O LEU A 12 4.669 -4.345 -10.271 1.00 0.00 O ATOM 199 CB LEU A 12 2.107 -4.956 -9.401 1.00 0.00 C ATOM 200 CG LEU A 12 1.024 -5.392 -8.423 1.00 0.00 C ATOM 201 CD1 LEU A 12 0.403 -6.704 -8.851 1.00 0.00 C ATOM 202 CD2 LEU A 12 1.599 -5.497 -7.023 1.00 0.00 C ATOM 0 H LEU A 12 1.445 -2.182 -8.272 1.00 0.00 H new ATOM 0 HA LEU A 12 3.064 -3.638 -7.995 1.00 0.00 H new ATOM 0 HB2 LEU A 12 1.677 -4.884 -10.400 1.00 0.00 H new ATOM 0 HB3 LEU A 12 2.880 -5.723 -9.442 1.00 0.00 H new ATOM 0 HG LEU A 12 0.236 -4.639 -8.420 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.367 -6.993 -8.136 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.044 -6.590 -9.839 1.00 0.00 H new ATOM 0 HD13 LEU A 12 1.172 -7.476 -8.887 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.817 -5.809 -6.331 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.405 -6.231 -7.015 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.989 -4.526 -6.716 1.00 0.00 H new ATOM 214 N LYS A 13 4.496 -2.154 -9.841 1.00 0.00 N ATOM 215 CA LYS A 13 5.832 -1.874 -10.344 1.00 0.00 C ATOM 216 C LYS A 13 6.857 -2.294 -9.308 1.00 0.00 C ATOM 217 O LYS A 13 6.495 -2.682 -8.197 1.00 0.00 O ATOM 218 CB LYS A 13 6.024 -0.393 -10.644 1.00 0.00 C ATOM 219 CG LYS A 13 5.487 0.047 -11.982 1.00 0.00 C ATOM 220 CD LYS A 13 5.804 1.512 -12.238 1.00 0.00 C ATOM 221 CE LYS A 13 5.483 1.876 -13.666 1.00 0.00 C ATOM 222 NZ LYS A 13 5.744 3.300 -13.981 1.00 0.00 N ATOM 0 H LYS A 13 3.986 -1.339 -9.500 1.00 0.00 H new ATOM 0 HA LYS A 13 5.962 -2.434 -11.270 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.537 0.190 -9.862 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.088 -0.161 -10.599 1.00 0.00 H new ATOM 0 HG2 LYS A 13 5.920 -0.567 -12.772 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.408 -0.107 -12.014 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.229 2.140 -11.558 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.858 1.704 -12.035 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.073 1.249 -14.335 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.434 1.654 -13.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 5.291 3.544 -14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.355 3.900 -13.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.769 3.457 -14.055 1.00 0.00 H new ATOM 236 N GLN A 14 8.120 -2.038 -9.609 1.00 0.00 N ATOM 237 CA GLN A 14 9.185 -2.247 -8.640 1.00 0.00 C ATOM 238 C GLN A 14 9.060 -1.195 -7.539 1.00 0.00 C ATOM 239 O GLN A 14 9.085 0.005 -7.815 1.00 0.00 O ATOM 240 CB GLN A 14 10.549 -2.155 -9.329 1.00 0.00 C ATOM 241 CG GLN A 14 11.574 -3.160 -8.826 1.00 0.00 C ATOM 242 CD GLN A 14 11.942 -2.959 -7.372 1.00 0.00 C ATOM 243 OE1 GLN A 14 11.708 -3.978 -6.560 1.00 0.00 O flip ATOM 244 NE2 GLN A 14 12.429 -1.898 -6.983 1.00 0.00 N flip ATOM 0 H GLN A 14 8.433 -1.686 -10.514 1.00 0.00 H new ATOM 0 HA GLN A 14 9.099 -3.240 -8.200 1.00 0.00 H new ATOM 0 HB2 GLN A 14 10.412 -2.299 -10.401 1.00 0.00 H new ATOM 0 HB3 GLN A 14 10.946 -1.149 -9.191 1.00 0.00 H new ATOM 0 HG2 GLN A 14 11.181 -4.168 -8.959 1.00 0.00 H new ATOM 0 HG3 GLN A 14 12.475 -3.087 -9.436 1.00 0.00 H new ATOM 0 HE21 GLN A 14 12.592 -1.139 -7.644 1.00 0.00 H new ATOM 0 HE22 GLN A 14 12.670 -1.778 -5.999 1.00 0.00 H new ATOM 253 N PRO A 15 8.795 -1.627 -6.300 1.00 0.00 N ATOM 254 CA PRO A 15 8.549 -0.711 -5.187 1.00 0.00 C ATOM 255 C PRO A 15 9.812 0.002 -4.720 1.00 0.00 C ATOM 256 O PRO A 15 10.897 -0.577 -4.706 1.00 0.00 O ATOM 257 CB PRO A 15 7.992 -1.608 -4.082 1.00 0.00 C ATOM 258 CG PRO A 15 8.426 -2.996 -4.423 1.00 0.00 C ATOM 259 CD PRO A 15 8.622 -3.039 -5.916 1.00 0.00 C ATOM 0 HA PRO A 15 7.869 0.090 -5.476 1.00 0.00 H new ATOM 0 HB2 PRO A 15 8.374 -1.308 -3.106 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.905 -1.539 -4.034 1.00 0.00 H new ATOM 0 HG2 PRO A 15 9.351 -3.250 -3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.676 -3.723 -4.111 1.00 0.00 H new ATOM 0 HD2 PRO A 15 9.494 -3.635 -6.186 1.00 0.00 H new ATOM 0 HD3 PRO A 15 7.763 -3.486 -6.417 1.00 0.00 H new ATOM 267 N GLY A 16 9.668 1.264 -4.346 1.00 0.00 N ATOM 268 CA GLY A 16 10.798 2.024 -3.863 1.00 0.00 C ATOM 269 C GLY A 16 10.830 2.094 -2.352 1.00 0.00 C ATOM 270 O GLY A 16 10.240 1.256 -1.674 1.00 0.00 O ATOM 0 H GLY A 16 8.786 1.775 -4.369 1.00 0.00 H new ATOM 0 HA2 GLY A 16 11.721 1.571 -4.225 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.757 3.034 -4.272 1.00 0.00 H new ATOM 274 N VAL A 17 11.508 3.104 -1.831 1.00 0.00 N ATOM 275 CA VAL A 17 11.619 3.299 -0.389 1.00 0.00 C ATOM 276 C VAL A 17 10.335 3.912 0.180 1.00 0.00 C ATOM 277 O VAL A 17 10.061 3.818 1.378 1.00 0.00 O ATOM 278 CB VAL A 17 12.835 4.197 -0.047 1.00 0.00 C ATOM 279 CG1 VAL A 17 12.651 5.602 -0.604 1.00 0.00 C ATOM 280 CG2 VAL A 17 13.088 4.239 1.454 1.00 0.00 C ATOM 0 H VAL A 17 11.994 3.807 -2.387 1.00 0.00 H new ATOM 0 HA VAL A 17 11.769 2.321 0.069 1.00 0.00 H new ATOM 0 HB VAL A 17 13.712 3.757 -0.521 1.00 0.00 H new ATOM 0 HG11 VAL A 17 13.519 6.211 -0.350 1.00 0.00 H new ATOM 0 HG12 VAL A 17 12.547 5.553 -1.688 1.00 0.00 H new ATOM 0 HG13 VAL A 17 11.755 6.049 -0.174 1.00 0.00 H new ATOM 0 HG21 VAL A 17 13.947 4.877 1.660 1.00 0.00 H new ATOM 0 HG22 VAL A 17 12.209 4.639 1.960 1.00 0.00 H new ATOM 0 HG23 VAL A 17 13.289 3.231 1.817 1.00 0.00 H new ATOM 290 N GLN A 18 9.588 4.590 -0.683 1.00 0.00 N ATOM 291 CA GLN A 18 8.379 5.297 -0.280 1.00 0.00 C ATOM 292 C GLN A 18 7.308 4.346 0.245 1.00 0.00 C ATOM 293 O GLN A 18 6.942 3.369 -0.417 1.00 0.00 O ATOM 294 CB GLN A 18 7.837 6.106 -1.459 1.00 0.00 C ATOM 295 CG GLN A 18 8.725 7.278 -1.842 1.00 0.00 C ATOM 296 CD GLN A 18 8.619 8.429 -0.863 1.00 0.00 C ATOM 297 OE1 GLN A 18 8.871 8.275 0.332 1.00 0.00 O ATOM 298 NE2 GLN A 18 8.257 9.597 -1.369 1.00 0.00 N ATOM 0 H GLN A 18 9.802 4.665 -1.677 1.00 0.00 H new ATOM 0 HA GLN A 18 8.642 5.970 0.536 1.00 0.00 H new ATOM 0 HB2 GLN A 18 7.724 5.448 -2.321 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.843 6.478 -1.209 1.00 0.00 H new ATOM 0 HG2 GLN A 18 9.761 6.943 -1.894 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.452 7.626 -2.838 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.057 9.681 -2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.178 10.413 -0.762 1.00 0.00 H new ATOM 307 N THR A 19 6.795 4.661 1.428 1.00 0.00 N ATOM 308 CA THR A 19 5.743 3.877 2.050 1.00 0.00 C ATOM 309 C THR A 19 4.373 4.278 1.496 1.00 0.00 C ATOM 310 O THR A 19 4.097 5.465 1.299 1.00 0.00 O ATOM 311 CB THR A 19 5.770 4.066 3.579 1.00 0.00 C ATOM 312 OG1 THR A 19 7.107 3.871 4.063 1.00 0.00 O ATOM 313 CG2 THR A 19 4.828 3.096 4.274 1.00 0.00 C ATOM 0 H THR A 19 7.097 5.464 1.979 1.00 0.00 H new ATOM 0 HA THR A 19 5.917 2.826 1.820 1.00 0.00 H new ATOM 0 HB THR A 19 5.437 5.080 3.803 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.124 3.993 5.035 1.00 0.00 H new ATOM 0 HG21 THR A 19 4.871 3.256 5.351 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.810 3.263 3.923 1.00 0.00 H new ATOM 0 HG23 THR A 19 5.127 2.073 4.047 1.00 0.00 H new ATOM 321 N GLY A 20 3.544 3.281 1.204 1.00 0.00 N ATOM 322 CA GLY A 20 2.230 3.538 0.640 1.00 0.00 C ATOM 323 C GLY A 20 1.302 4.256 1.605 1.00 0.00 C ATOM 324 O GLY A 20 1.109 3.809 2.737 1.00 0.00 O ATOM 0 H GLY A 20 3.760 2.295 1.349 1.00 0.00 H new ATOM 0 HA2 GLY A 20 2.339 4.137 -0.264 1.00 0.00 H new ATOM 0 HA3 GLY A 20 1.776 2.592 0.343 1.00 0.00 H new ATOM 328 N LEU A 21 0.745 5.375 1.157 1.00 0.00 N ATOM 329 CA LEU A 21 -0.144 6.183 1.982 1.00 0.00 C ATOM 330 C LEU A 21 -1.563 5.628 2.011 1.00 0.00 C ATOM 331 O LEU A 21 -2.118 5.238 0.981 1.00 0.00 O ATOM 332 CB LEU A 21 -0.184 7.628 1.477 1.00 0.00 C ATOM 333 CG LEU A 21 1.098 8.437 1.677 1.00 0.00 C ATOM 334 CD1 LEU A 21 0.910 9.849 1.155 1.00 0.00 C ATOM 335 CD2 LEU A 21 1.487 8.469 3.146 1.00 0.00 C ATOM 0 H LEU A 21 0.895 5.745 0.219 1.00 0.00 H new ATOM 0 HA LEU A 21 0.257 6.154 2.995 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.421 7.615 0.413 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -1.001 8.146 1.979 1.00 0.00 H new ATOM 0 HG LEU A 21 1.901 7.956 1.118 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.829 10.417 1.302 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.671 9.815 0.092 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.095 10.331 1.695 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.402 9.049 3.268 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.686 8.929 3.725 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.653 7.452 3.501 1.00 0.00 H new ATOM 347 N LEU A 22 -2.182 5.712 3.177 1.00 0.00 N ATOM 348 CA LEU A 22 -3.582 5.356 3.338 1.00 0.00 C ATOM 349 C LEU A 22 -4.378 6.560 3.793 1.00 0.00 C ATOM 350 O LEU A 22 -3.927 7.318 4.646 1.00 0.00 O ATOM 351 CB LEU A 22 -3.765 4.242 4.368 1.00 0.00 C ATOM 352 CG LEU A 22 -3.078 2.928 4.041 1.00 0.00 C ATOM 353 CD1 LEU A 22 -3.419 1.880 5.090 1.00 0.00 C ATOM 354 CD2 LEU A 22 -3.474 2.452 2.656 1.00 0.00 C ATOM 0 H LEU A 22 -1.730 6.028 4.035 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.938 5.007 2.369 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.394 4.596 5.330 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.832 4.054 4.488 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.000 3.086 4.050 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.920 0.943 4.844 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.084 2.223 6.069 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.497 1.723 5.110 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -2.972 1.509 2.438 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -4.554 2.306 2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -3.181 3.198 1.917 1.00 0.00 H new ATOM 366 N CYS A 23 -5.597 6.667 3.313 1.00 0.00 N ATOM 367 CA CYS A 23 -6.507 7.676 3.809 1.00 0.00 C ATOM 368 C CYS A 23 -7.095 7.169 5.116 1.00 0.00 C ATOM 369 O CYS A 23 -7.062 5.961 5.373 1.00 0.00 O ATOM 370 CB CYS A 23 -7.614 7.968 2.791 1.00 0.00 C ATOM 371 SG CYS A 23 -8.938 6.739 2.748 1.00 0.00 S ATOM 0 H CYS A 23 -5.981 6.069 2.581 1.00 0.00 H new ATOM 0 HA CYS A 23 -5.972 8.612 3.973 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -8.048 8.943 3.015 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -7.168 8.038 1.799 1.00 0.00 H new ATOM 0 HG CYS A 23 -9.108 6.327 1.527 1.00 0.00 H new ATOM 376 N GLU A 24 -7.575 8.073 5.953 1.00 0.00 N ATOM 377 CA GLU A 24 -8.108 7.703 7.260 1.00 0.00 C ATOM 378 C GLU A 24 -9.220 6.650 7.134 1.00 0.00 C ATOM 379 O GLU A 24 -9.476 5.883 8.061 1.00 0.00 O ATOM 380 CB GLU A 24 -8.634 8.945 7.980 1.00 0.00 C ATOM 381 CG GLU A 24 -7.583 10.031 8.155 1.00 0.00 C ATOM 382 CD GLU A 24 -8.151 11.301 8.749 1.00 0.00 C ATOM 383 OE1 GLU A 24 -9.081 11.879 8.150 1.00 0.00 O ATOM 384 OE2 GLU A 24 -7.670 11.733 9.817 1.00 0.00 O ATOM 0 H GLU A 24 -7.608 9.073 5.753 1.00 0.00 H new ATOM 0 HA GLU A 24 -7.299 7.264 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.476 9.351 7.420 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -9.013 8.655 8.960 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -6.785 9.659 8.798 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -7.134 10.256 7.188 1.00 0.00 H new ATOM 391 N LYS A 25 -9.895 6.636 5.989 1.00 0.00 N ATOM 392 CA LYS A 25 -10.981 5.689 5.740 1.00 0.00 C ATOM 393 C LYS A 25 -10.465 4.259 5.541 1.00 0.00 C ATOM 394 O LYS A 25 -11.164 3.295 5.857 1.00 0.00 O ATOM 395 CB LYS A 25 -11.793 6.117 4.519 1.00 0.00 C ATOM 396 CG LYS A 25 -12.353 7.523 4.623 1.00 0.00 C ATOM 397 CD LYS A 25 -13.277 7.668 5.818 1.00 0.00 C ATOM 398 CE LYS A 25 -13.800 9.089 5.947 1.00 0.00 C ATOM 399 NZ LYS A 25 -14.631 9.257 7.167 1.00 0.00 N ATOM 0 H LYS A 25 -9.709 7.273 5.214 1.00 0.00 H new ATOM 0 HA LYS A 25 -11.619 5.695 6.624 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -11.162 6.051 3.633 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -12.616 5.417 4.377 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -11.533 8.237 4.707 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -12.896 7.768 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -14.115 6.978 5.717 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -12.744 7.391 6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -12.961 9.785 5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -14.390 9.341 5.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -14.971 10.238 7.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.445 8.611 7.125 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -14.060 9.040 8.009 1.00 0.00 H new ATOM 413 N CYS A 26 -9.229 4.118 5.066 1.00 0.00 N ATOM 414 CA CYS A 26 -8.632 2.797 4.898 1.00 0.00 C ATOM 415 C CYS A 26 -7.545 2.598 5.943 1.00 0.00 C ATOM 416 O CYS A 26 -6.573 1.876 5.722 1.00 0.00 O ATOM 417 CB CYS A 26 -8.035 2.631 3.492 1.00 0.00 C ATOM 418 SG CYS A 26 -9.145 3.057 2.127 1.00 0.00 S ATOM 0 H CYS A 26 -8.627 4.895 4.793 1.00 0.00 H new ATOM 0 HA CYS A 26 -9.413 2.047 5.025 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -7.141 3.251 3.419 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.716 1.596 3.370 1.00 0.00 H new ATOM 0 HG CYS A 26 -9.307 4.346 2.086 1.00 0.00 H new ATOM 423 N ASP A 27 -7.691 3.300 7.056 1.00 0.00 N ATOM 424 CA ASP A 27 -6.700 3.272 8.122 1.00 0.00 C ATOM 425 C ASP A 27 -6.568 1.883 8.719 1.00 0.00 C ATOM 426 O ASP A 27 -7.546 1.297 9.189 1.00 0.00 O ATOM 427 CB ASP A 27 -7.067 4.275 9.219 1.00 0.00 C ATOM 428 CG ASP A 27 -6.232 4.117 10.479 1.00 0.00 C ATOM 429 OD1 ASP A 27 -4.988 4.084 10.388 1.00 0.00 O ATOM 430 OD2 ASP A 27 -6.821 4.061 11.579 1.00 0.00 O ATOM 0 H ASP A 27 -8.493 3.901 7.246 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.740 3.550 7.687 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -6.943 5.287 8.833 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -8.121 4.157 9.472 1.00 0.00 H new ATOM 435 N GLY A 28 -5.335 1.409 8.765 1.00 0.00 N ATOM 436 CA GLY A 28 -5.030 0.139 9.394 1.00 0.00 C ATOM 437 C GLY A 28 -5.500 -1.058 8.593 1.00 0.00 C ATOM 438 O GLY A 28 -5.817 -2.104 9.163 1.00 0.00 O ATOM 0 H GLY A 28 -4.526 1.889 8.371 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -3.953 0.066 9.544 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.492 0.111 10.381 1.00 0.00 H new ATOM 442 N LYS A 29 -5.482 -0.934 7.273 1.00 0.00 N ATOM 443 CA LYS A 29 -5.832 -2.046 6.400 1.00 0.00 C ATOM 444 C LYS A 29 -4.614 -2.538 5.633 1.00 0.00 C ATOM 445 O LYS A 29 -3.865 -1.742 5.066 1.00 0.00 O ATOM 446 CB LYS A 29 -6.911 -1.651 5.388 1.00 0.00 C ATOM 447 CG LYS A 29 -8.252 -1.293 5.995 1.00 0.00 C ATOM 448 CD LYS A 29 -9.300 -1.093 4.911 1.00 0.00 C ATOM 449 CE LYS A 29 -10.691 -0.913 5.493 1.00 0.00 C ATOM 450 NZ LYS A 29 -11.729 -0.855 4.430 1.00 0.00 N ATOM 0 H LYS A 29 -5.229 -0.076 6.784 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.214 -2.839 7.043 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -6.552 -0.800 4.809 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.053 -2.475 4.689 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.571 -2.083 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.157 -0.383 6.587 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.041 -0.219 4.313 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -9.296 -1.952 4.240 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -10.911 -1.737 6.172 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.723 0.003 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.665 -0.732 4.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -11.533 -0.053 3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.715 -1.739 3.883 1.00 0.00 H new ATOM 464 N CYS A 30 -4.518 -3.850 5.497 1.00 0.00 N ATOM 465 CA CYS A 30 -3.532 -4.457 4.620 1.00 0.00 C ATOM 466 C CYS A 30 -4.067 -4.446 3.190 1.00 0.00 C ATOM 467 O CYS A 30 -5.086 -5.073 2.905 1.00 0.00 O ATOM 468 CB CYS A 30 -3.249 -5.886 5.087 1.00 0.00 C ATOM 469 SG CYS A 30 -2.307 -6.911 3.934 1.00 0.00 S ATOM 0 H CYS A 30 -5.114 -4.518 5.986 1.00 0.00 H new ATOM 0 HA CYS A 30 -2.599 -3.894 4.650 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -2.706 -5.840 6.031 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -4.200 -6.378 5.289 1.00 0.00 H new ATOM 0 HG CYS A 30 -2.031 -8.052 4.493 1.00 0.00 H new ATOM 474 N PRO A 31 -3.422 -3.694 2.282 1.00 0.00 N ATOM 475 CA PRO A 31 -3.889 -3.536 0.896 1.00 0.00 C ATOM 476 C PRO A 31 -3.992 -4.860 0.149 1.00 0.00 C ATOM 477 O PRO A 31 -4.777 -4.994 -0.787 1.00 0.00 O ATOM 478 CB PRO A 31 -2.826 -2.640 0.245 1.00 0.00 C ATOM 479 CG PRO A 31 -1.662 -2.664 1.176 1.00 0.00 C ATOM 480 CD PRO A 31 -2.234 -2.873 2.548 1.00 0.00 C ATOM 0 HA PRO A 31 -4.895 -3.117 0.866 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.548 -3.013 -0.741 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -3.198 -1.625 0.108 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -0.970 -3.465 0.915 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.102 -1.730 1.125 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.530 -3.381 3.207 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -2.493 -1.929 3.026 1.00 0.00 H new ATOM 488 N ILE A 32 -3.151 -5.807 0.530 1.00 0.00 N ATOM 489 CA ILE A 32 -3.087 -7.093 -0.143 1.00 0.00 C ATOM 490 C ILE A 32 -4.383 -7.892 0.026 1.00 0.00 C ATOM 491 O ILE A 32 -4.798 -8.608 -0.885 1.00 0.00 O ATOM 492 CB ILE A 32 -1.906 -7.939 0.383 1.00 0.00 C ATOM 493 CG1 ILE A 32 -0.584 -7.162 0.286 1.00 0.00 C ATOM 494 CG2 ILE A 32 -1.815 -9.253 -0.387 1.00 0.00 C ATOM 495 CD1 ILE A 32 -0.086 -6.964 -1.127 1.00 0.00 C ATOM 0 H ILE A 32 -2.499 -5.708 1.308 1.00 0.00 H new ATOM 0 HA ILE A 32 -2.941 -6.880 -1.202 1.00 0.00 H new ATOM 0 HB ILE A 32 -2.086 -8.161 1.435 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -0.714 -6.186 0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 32 0.179 -7.691 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -0.979 -9.840 -0.007 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -2.741 -9.814 -0.259 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -1.660 -9.044 -1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.851 -6.407 -1.108 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.078 -7.935 -1.594 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.828 -6.407 -1.699 1.00 0.00 H new ATOM 507 N CYS A 33 -4.963 -7.869 1.224 1.00 0.00 N ATOM 508 CA CYS A 33 -6.105 -8.737 1.505 1.00 0.00 C ATOM 509 C CYS A 33 -7.324 -7.977 2.033 1.00 0.00 C ATOM 510 O CYS A 33 -8.407 -8.558 2.137 1.00 0.00 O ATOM 511 CB CYS A 33 -5.702 -9.833 2.496 1.00 0.00 C ATOM 512 SG CYS A 33 -5.222 -9.222 4.130 1.00 0.00 S ATOM 0 H CYS A 33 -4.670 -7.274 1.999 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.400 -9.182 0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.535 -10.526 2.611 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -4.872 -10.400 2.075 1.00 0.00 H new ATOM 0 HG CYS A 33 -4.203 -8.423 4.012 1.00 0.00 H new ATOM 517 N ASP A 34 -7.140 -6.708 2.410 1.00 0.00 N ATOM 518 CA ASP A 34 -8.222 -5.896 2.980 1.00 0.00 C ATOM 519 C ASP A 34 -8.716 -6.508 4.289 1.00 0.00 C ATOM 520 O ASP A 34 -9.762 -7.156 4.329 1.00 0.00 O ATOM 521 CB ASP A 34 -9.390 -5.752 1.993 1.00 0.00 C ATOM 522 CG ASP A 34 -10.509 -4.872 2.524 1.00 0.00 C ATOM 523 OD1 ASP A 34 -10.261 -4.047 3.426 1.00 0.00 O ATOM 524 OD2 ASP A 34 -11.643 -4.978 2.010 1.00 0.00 O ATOM 0 H ASP A 34 -6.249 -6.218 2.331 1.00 0.00 H new ATOM 0 HA ASP A 34 -7.821 -4.902 3.181 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -9.019 -5.334 1.057 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -9.789 -6.740 1.764 1.00 0.00 H new ATOM 529 N SER A 35 -7.924 -6.361 5.338 1.00 0.00 N ATOM 530 CA SER A 35 -8.249 -6.949 6.628 1.00 0.00 C ATOM 531 C SER A 35 -7.416 -6.297 7.726 1.00 0.00 C ATOM 532 O SER A 35 -6.245 -5.972 7.513 1.00 0.00 O ATOM 533 CB SER A 35 -7.997 -8.464 6.606 1.00 0.00 C ATOM 534 OG SER A 35 -8.393 -9.078 7.823 1.00 0.00 O ATOM 0 H SER A 35 -7.049 -5.838 5.322 1.00 0.00 H new ATOM 0 HA SER A 35 -9.305 -6.774 6.833 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.544 -8.912 5.777 1.00 0.00 H new ATOM 0 HB3 SER A 35 -6.938 -8.655 6.429 1.00 0.00 H new ATOM 0 HG SER A 35 -8.221 -10.042 7.775 1.00 0.00 H new ATOM 540 N TYR A 36 -8.035 -6.081 8.882 1.00 0.00 N ATOM 541 CA TYR A 36 -7.363 -5.457 10.020 1.00 0.00 C ATOM 542 C TYR A 36 -6.607 -6.485 10.858 1.00 0.00 C ATOM 543 O TYR A 36 -6.483 -6.334 12.075 1.00 0.00 O ATOM 544 CB TYR A 36 -8.372 -4.729 10.914 1.00 0.00 C ATOM 545 CG TYR A 36 -8.857 -3.409 10.361 1.00 0.00 C ATOM 546 CD1 TYR A 36 -9.578 -3.345 9.178 1.00 0.00 C ATOM 547 CD2 TYR A 36 -8.600 -2.226 11.037 1.00 0.00 C ATOM 548 CE1 TYR A 36 -10.021 -2.137 8.680 1.00 0.00 C ATOM 549 CE2 TYR A 36 -9.039 -1.016 10.549 1.00 0.00 C ATOM 550 CZ TYR A 36 -9.750 -0.975 9.369 1.00 0.00 C ATOM 551 OH TYR A 36 -10.180 0.236 8.872 1.00 0.00 O ATOM 0 H TYR A 36 -9.008 -6.330 9.058 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.649 -4.740 9.614 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.232 -5.379 11.075 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.916 -4.555 11.889 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.796 -4.255 8.638 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.045 -2.254 11.963 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.577 -2.102 7.755 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -8.828 -0.104 11.088 1.00 0.00 H new ATOM 0 HH TYR A 36 -9.435 0.873 8.872 1.00 0.00 H new ATOM 561 N VAL A 37 -6.081 -7.514 10.211 1.00 0.00 N ATOM 562 CA VAL A 37 -5.295 -8.518 10.909 1.00 0.00 C ATOM 563 C VAL A 37 -3.884 -7.978 11.153 1.00 0.00 C ATOM 564 O VAL A 37 -3.497 -6.973 10.548 1.00 0.00 O ATOM 565 CB VAL A 37 -5.252 -9.858 10.131 1.00 0.00 C ATOM 566 CG1 VAL A 37 -4.306 -9.788 8.948 1.00 0.00 C ATOM 567 CG2 VAL A 37 -4.880 -11.017 11.043 1.00 0.00 C ATOM 0 H VAL A 37 -6.184 -7.675 9.209 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.771 -8.727 11.867 1.00 0.00 H new ATOM 0 HB VAL A 37 -6.257 -10.036 9.747 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.303 -10.746 8.428 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -4.635 -9.005 8.265 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.299 -9.563 9.300 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -4.859 -11.942 10.466 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -3.896 -10.837 11.477 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.618 -11.104 11.841 1.00 0.00 H new ATOM 577 N ARG A 38 -3.198 -8.550 12.141 1.00 0.00 N ATOM 578 CA ARG A 38 -1.881 -8.078 12.581 1.00 0.00 C ATOM 579 C ARG A 38 -0.969 -7.695 11.416 1.00 0.00 C ATOM 580 O ARG A 38 -0.750 -8.481 10.503 1.00 0.00 O ATOM 581 CB ARG A 38 -1.191 -9.161 13.409 1.00 0.00 C ATOM 582 CG ARG A 38 -1.793 -9.360 14.787 1.00 0.00 C ATOM 583 CD ARG A 38 -1.611 -8.125 15.652 1.00 0.00 C ATOM 584 NE ARG A 38 -0.199 -7.785 15.829 1.00 0.00 N ATOM 585 CZ ARG A 38 0.233 -6.672 16.426 1.00 0.00 C ATOM 586 NH1 ARG A 38 -0.630 -5.809 16.949 1.00 0.00 N ATOM 587 NH2 ARG A 38 1.531 -6.426 16.514 1.00 0.00 N ATOM 0 H ARG A 38 -3.539 -9.357 12.663 1.00 0.00 H new ATOM 0 HA ARG A 38 -2.054 -7.183 13.178 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -1.236 -10.104 12.864 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.137 -8.905 13.517 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -2.855 -9.588 14.693 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.325 -10.217 15.270 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -2.133 -7.283 15.197 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -2.068 -8.294 16.627 1.00 0.00 H new ATOM 0 HE ARG A 38 0.499 -8.439 15.474 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.632 -5.994 16.896 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -0.291 -4.961 17.403 1.00 0.00 H new ATOM 0 HH21 ARG A 38 2.203 -7.088 16.125 1.00 0.00 H new ATOM 0 HH22 ARG A 38 1.859 -5.575 16.971 1.00 0.00 H new ATOM 601 N PRO A 39 -0.388 -6.490 11.469 1.00 0.00 N ATOM 602 CA PRO A 39 0.551 -6.007 10.460 1.00 0.00 C ATOM 603 C PRO A 39 1.971 -6.523 10.703 1.00 0.00 C ATOM 604 O PRO A 39 2.317 -6.899 11.827 1.00 0.00 O ATOM 605 CB PRO A 39 0.483 -4.494 10.638 1.00 0.00 C ATOM 606 CG PRO A 39 0.175 -4.289 12.085 1.00 0.00 C ATOM 607 CD PRO A 39 -0.565 -5.515 12.559 1.00 0.00 C ATOM 0 HA PRO A 39 0.301 -6.344 9.454 1.00 0.00 H new ATOM 0 HB2 PRO A 39 1.426 -4.022 10.364 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -0.288 -4.056 10.004 1.00 0.00 H new ATOM 0 HG2 PRO A 39 1.092 -4.147 12.658 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.431 -3.394 12.227 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -0.156 -5.889 13.498 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -1.619 -5.301 12.734 1.00 0.00 H new ATOM 615 N LYS A 40 2.772 -6.613 9.648 1.00 0.00 N ATOM 616 CA LYS A 40 4.116 -7.161 9.775 1.00 0.00 C ATOM 617 C LYS A 40 5.179 -6.217 9.202 1.00 0.00 C ATOM 618 O LYS A 40 6.280 -6.125 9.740 1.00 0.00 O ATOM 619 CB LYS A 40 4.200 -8.523 9.079 1.00 0.00 C ATOM 620 CG LYS A 40 5.510 -9.254 9.325 1.00 0.00 C ATOM 621 CD LYS A 40 5.647 -9.687 10.775 1.00 0.00 C ATOM 622 CE LYS A 40 7.062 -10.143 11.099 1.00 0.00 C ATOM 623 NZ LYS A 40 7.489 -11.312 10.285 1.00 0.00 N ATOM 0 H LYS A 40 2.518 -6.317 8.705 1.00 0.00 H new ATOM 0 HA LYS A 40 4.318 -7.281 10.839 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.375 -9.148 9.422 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.069 -8.382 8.006 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.566 -10.129 8.677 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.345 -8.606 9.058 1.00 0.00 H new ATOM 0 HD2 LYS A 40 5.374 -8.859 11.429 1.00 0.00 H new ATOM 0 HD3 LYS A 40 4.948 -10.498 10.979 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.753 -9.317 10.931 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.123 -10.400 12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 7.735 -12.102 10.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.712 -11.599 9.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.319 -11.053 9.714 1.00 0.00 H new ATOM 637 N ARG A 41 4.889 -5.591 8.067 1.00 0.00 N ATOM 638 CA ARG A 41 5.881 -4.757 7.386 1.00 0.00 C ATOM 639 C ARG A 41 5.211 -3.630 6.606 1.00 0.00 C ATOM 640 O ARG A 41 4.171 -3.837 5.988 1.00 0.00 O ATOM 641 CB ARG A 41 6.716 -5.630 6.435 1.00 0.00 C ATOM 642 CG ARG A 41 7.717 -4.859 5.583 1.00 0.00 C ATOM 643 CD ARG A 41 8.819 -4.220 6.422 1.00 0.00 C ATOM 644 NE ARG A 41 9.637 -5.206 7.142 1.00 0.00 N ATOM 645 CZ ARG A 41 10.474 -6.069 6.555 1.00 0.00 C ATOM 646 NH1 ARG A 41 10.589 -6.100 5.234 1.00 0.00 N ATOM 647 NH2 ARG A 41 11.200 -6.902 7.292 1.00 0.00 N ATOM 0 H ARG A 41 3.984 -5.642 7.600 1.00 0.00 H new ATOM 0 HA ARG A 41 6.529 -4.306 8.137 1.00 0.00 H new ATOM 0 HB2 ARG A 41 7.255 -6.373 7.023 1.00 0.00 H new ATOM 0 HB3 ARG A 41 6.041 -6.175 5.775 1.00 0.00 H new ATOM 0 HG2 ARG A 41 8.164 -5.533 4.852 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.194 -4.084 5.023 1.00 0.00 H new ATOM 0 HD2 ARG A 41 9.463 -3.626 5.774 1.00 0.00 H new ATOM 0 HD3 ARG A 41 8.370 -3.534 7.141 1.00 0.00 H new ATOM 0 HE ARG A 41 9.561 -5.234 8.159 1.00 0.00 H new ATOM 0 HH11 ARG A 41 10.037 -5.463 4.659 1.00 0.00 H new ATOM 0 HH12 ARG A 41 11.229 -6.761 4.793 1.00 0.00 H new ATOM 0 HH21 ARG A 41 11.120 -6.885 8.309 1.00 0.00 H new ATOM 0 HH22 ARG A 41 11.837 -7.559 6.841 1.00 0.00 H new ATOM 661 N LYS A 42 5.804 -2.441 6.647 1.00 0.00 N ATOM 662 CA LYS A 42 5.277 -1.290 5.920 1.00 0.00 C ATOM 663 C LYS A 42 5.220 -1.548 4.425 1.00 0.00 C ATOM 664 O LYS A 42 6.133 -2.126 3.839 1.00 0.00 O ATOM 665 CB LYS A 42 6.107 -0.032 6.182 1.00 0.00 C ATOM 666 CG LYS A 42 5.715 0.710 7.446 1.00 0.00 C ATOM 667 CD LYS A 42 6.268 2.125 7.445 1.00 0.00 C ATOM 668 CE LYS A 42 5.716 2.942 8.601 1.00 0.00 C ATOM 669 NZ LYS A 42 6.125 4.366 8.514 1.00 0.00 N ATOM 0 H LYS A 42 6.653 -2.248 7.178 1.00 0.00 H new ATOM 0 HA LYS A 42 4.264 -1.131 6.289 1.00 0.00 H new ATOM 0 HB2 LYS A 42 7.159 -0.310 6.247 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.007 0.642 5.331 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.629 0.741 7.531 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.087 0.172 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.356 2.091 7.509 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.019 2.613 6.503 1.00 0.00 H new ATOM 0 HE2 LYS A 42 4.628 2.876 8.606 1.00 0.00 H new ATOM 0 HE3 LYS A 42 6.065 2.520 9.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 6.328 4.728 9.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.978 4.447 7.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 5.356 4.923 8.089 1.00 0.00 H new ATOM 683 N VAL A 43 4.139 -1.094 3.825 1.00 0.00 N ATOM 684 CA VAL A 43 3.928 -1.215 2.399 1.00 0.00 C ATOM 685 C VAL A 43 4.855 -0.282 1.625 1.00 0.00 C ATOM 686 O VAL A 43 4.923 0.913 1.911 1.00 0.00 O ATOM 687 CB VAL A 43 2.456 -0.913 2.057 1.00 0.00 C ATOM 688 CG1 VAL A 43 2.305 -0.432 0.629 1.00 0.00 C ATOM 689 CG2 VAL A 43 1.597 -2.141 2.301 1.00 0.00 C ATOM 0 H VAL A 43 3.377 -0.628 4.318 1.00 0.00 H new ATOM 0 HA VAL A 43 4.160 -2.238 2.104 1.00 0.00 H new ATOM 0 HB VAL A 43 2.117 -0.110 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.254 -0.229 0.423 1.00 0.00 H new ATOM 0 HG12 VAL A 43 2.885 0.480 0.489 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.667 -1.201 -0.054 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.560 -1.914 2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.947 -2.961 1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.667 -2.431 3.349 1.00 0.00 H new ATOM 699 N ARG A 44 5.490 -0.812 0.589 1.00 0.00 N ATOM 700 CA ARG A 44 6.329 -0.003 -0.282 1.00 0.00 C ATOM 701 C ARG A 44 5.667 0.152 -1.640 1.00 0.00 C ATOM 702 O ARG A 44 5.324 -0.837 -2.289 1.00 0.00 O ATOM 703 CB ARG A 44 7.721 -0.625 -0.457 1.00 0.00 C ATOM 704 CG ARG A 44 8.501 -0.783 0.841 1.00 0.00 C ATOM 705 CD ARG A 44 8.251 -2.132 1.511 1.00 0.00 C ATOM 706 NE ARG A 44 9.014 -3.222 0.889 1.00 0.00 N ATOM 707 CZ ARG A 44 8.605 -3.938 -0.162 1.00 0.00 C ATOM 708 NH1 ARG A 44 7.381 -3.777 -0.659 1.00 0.00 N ATOM 709 NH2 ARG A 44 9.420 -4.839 -0.701 1.00 0.00 N ATOM 0 H ARG A 44 5.440 -1.798 0.332 1.00 0.00 H new ATOM 0 HA ARG A 44 6.449 0.975 0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 44 7.613 -1.604 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.300 -0.006 -1.143 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.566 -0.674 0.637 1.00 0.00 H new ATOM 0 HG3 ARG A 44 8.224 0.017 1.527 1.00 0.00 H new ATOM 0 HD2 ARG A 44 8.516 -2.064 2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 44 7.187 -2.365 1.464 1.00 0.00 H new ATOM 0 HE ARG A 44 9.924 -3.449 1.289 1.00 0.00 H new ATOM 0 HH11 ARG A 44 6.744 -3.101 -0.237 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.080 -4.329 -1.462 1.00 0.00 H new ATOM 0 HH21 ARG A 44 10.352 -4.981 -0.312 1.00 0.00 H new ATOM 0 HH22 ARG A 44 9.113 -5.389 -1.504 1.00 0.00 H new ATOM 723 N VAL A 45 5.519 1.389 -2.084 1.00 0.00 N ATOM 724 CA VAL A 45 4.948 1.662 -3.391 1.00 0.00 C ATOM 725 C VAL A 45 6.040 2.003 -4.389 1.00 0.00 C ATOM 726 O VAL A 45 7.129 2.437 -4.009 1.00 0.00 O ATOM 727 CB VAL A 45 3.909 2.805 -3.353 1.00 0.00 C ATOM 728 CG1 VAL A 45 2.660 2.365 -2.609 1.00 0.00 C ATOM 729 CG2 VAL A 45 4.498 4.064 -2.725 1.00 0.00 C ATOM 0 H VAL A 45 5.787 2.221 -1.557 1.00 0.00 H new ATOM 0 HA VAL A 45 4.433 0.754 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 45 3.632 3.044 -4.380 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.939 3.183 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 45 2.220 1.504 -3.113 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.923 2.092 -1.587 1.00 0.00 H new ATOM 0 HG21 VAL A 45 3.744 4.851 -2.712 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.815 3.848 -1.705 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.357 4.394 -3.309 1.00 0.00 H new ATOM 739 N CYS A 46 5.765 1.765 -5.663 1.00 0.00 N ATOM 740 CA CYS A 46 6.727 2.067 -6.705 1.00 0.00 C ATOM 741 C CYS A 46 6.917 3.569 -6.796 1.00 0.00 C ATOM 742 O CYS A 46 5.976 4.333 -6.572 1.00 0.00 O ATOM 743 CB CYS A 46 6.278 1.515 -8.056 1.00 0.00 C ATOM 744 SG CYS A 46 5.301 2.664 -9.056 1.00 0.00 S ATOM 0 H CYS A 46 4.887 1.366 -5.996 1.00 0.00 H new ATOM 0 HA CYS A 46 7.672 1.589 -6.448 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.160 1.220 -8.624 1.00 0.00 H new ATOM 0 HB3 CYS A 46 5.691 0.612 -7.887 1.00 0.00 H new ATOM 0 HG CYS A 46 4.233 2.063 -9.489 1.00 0.00 H new ATOM 749 N GLU A 47 8.150 3.981 -7.020 1.00 0.00 N ATOM 750 CA GLU A 47 8.496 5.396 -7.011 1.00 0.00 C ATOM 751 C GLU A 47 7.701 6.222 -8.029 1.00 0.00 C ATOM 752 O GLU A 47 7.515 7.426 -7.827 1.00 0.00 O ATOM 753 CB GLU A 47 9.998 5.585 -7.204 1.00 0.00 C ATOM 754 CG GLU A 47 10.713 5.894 -5.898 1.00 0.00 C ATOM 755 CD GLU A 47 12.219 5.919 -6.032 1.00 0.00 C ATOM 756 OE1 GLU A 47 12.814 4.853 -6.281 1.00 0.00 O ATOM 757 OE2 GLU A 47 12.818 7.003 -5.862 1.00 0.00 O ATOM 0 H GLU A 47 8.933 3.357 -7.211 1.00 0.00 H new ATOM 0 HA GLU A 47 8.215 5.777 -6.029 1.00 0.00 H new ATOM 0 HB2 GLU A 47 10.422 4.682 -7.643 1.00 0.00 H new ATOM 0 HB3 GLU A 47 10.172 6.396 -7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 47 10.372 6.860 -5.525 1.00 0.00 H new ATOM 0 HG3 GLU A 47 10.434 5.148 -5.154 1.00 0.00 H new ATOM 764 N ASN A 48 7.166 5.595 -9.081 1.00 0.00 N ATOM 765 CA ASN A 48 6.326 6.330 -10.016 1.00 0.00 C ATOM 766 C ASN A 48 5.057 6.812 -9.321 1.00 0.00 C ATOM 767 O ASN A 48 4.594 7.925 -9.557 1.00 0.00 O ATOM 768 CB ASN A 48 5.974 5.472 -11.225 1.00 0.00 C ATOM 769 CG ASN A 48 7.203 4.988 -11.959 1.00 0.00 C ATOM 770 OD1 ASN A 48 7.903 4.089 -11.497 1.00 0.00 O ATOM 771 ND2 ASN A 48 7.473 5.576 -13.110 1.00 0.00 N ATOM 0 H ASN A 48 7.297 4.607 -9.299 1.00 0.00 H new ATOM 0 HA ASN A 48 6.886 7.197 -10.367 1.00 0.00 H new ATOM 0 HB2 ASN A 48 5.385 4.614 -10.900 1.00 0.00 H new ATOM 0 HB3 ASN A 48 5.349 6.048 -11.907 1.00 0.00 H new ATOM 0 HD21 ASN A 48 8.288 5.288 -13.651 1.00 0.00 H new ATOM 0 HD22 ASN A 48 6.866 6.318 -13.458 1.00 0.00 H new ATOM 778 N CYS A 49 4.589 6.034 -8.355 1.00 0.00 N ATOM 779 CA CYS A 49 3.469 6.450 -7.523 1.00 0.00 C ATOM 780 C CYS A 49 3.966 7.156 -6.270 1.00 0.00 C ATOM 781 O CYS A 49 3.458 6.939 -5.170 1.00 0.00 O ATOM 782 CB CYS A 49 2.619 5.252 -7.137 1.00 0.00 C ATOM 783 SG CYS A 49 1.972 4.330 -8.545 1.00 0.00 S ATOM 0 H CYS A 49 4.966 5.114 -8.129 1.00 0.00 H new ATOM 0 HA CYS A 49 2.858 7.145 -8.099 1.00 0.00 H new ATOM 0 HB2 CYS A 49 3.215 4.581 -6.519 1.00 0.00 H new ATOM 0 HB3 CYS A 49 1.785 5.593 -6.524 1.00 0.00 H new ATOM 0 HG CYS A 49 1.619 3.140 -8.159 1.00 0.00 H new ATOM 788 N SER A 50 4.966 7.995 -6.445 1.00 0.00 N ATOM 789 CA SER A 50 5.524 8.769 -5.349 1.00 0.00 C ATOM 790 C SER A 50 5.810 10.188 -5.821 1.00 0.00 C ATOM 791 O SER A 50 5.478 11.165 -5.146 1.00 0.00 O ATOM 792 CB SER A 50 6.800 8.114 -4.827 1.00 0.00 C ATOM 793 OG SER A 50 6.578 6.750 -4.509 1.00 0.00 O ATOM 0 H SER A 50 5.415 8.161 -7.346 1.00 0.00 H new ATOM 0 HA SER A 50 4.802 8.803 -4.534 1.00 0.00 H new ATOM 0 HB2 SER A 50 7.587 8.193 -5.577 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.150 8.645 -3.942 1.00 0.00 H new ATOM 0 HG SER A 50 6.148 6.685 -3.631 1.00 0.00 H new ATOM 799 N PHE A 51 6.351 10.298 -7.025 1.00 0.00 N ATOM 800 CA PHE A 51 6.607 11.599 -7.624 1.00 0.00 C ATOM 801 C PHE A 51 5.983 11.686 -9.014 1.00 0.00 C ATOM 802 O PHE A 51 6.469 12.408 -9.886 1.00 0.00 O ATOM 803 CB PHE A 51 8.117 11.865 -7.685 1.00 0.00 C ATOM 804 CG PHE A 51 8.929 10.734 -8.265 1.00 0.00 C ATOM 805 CD1 PHE A 51 8.802 10.369 -9.598 1.00 0.00 C ATOM 806 CD2 PHE A 51 9.835 10.049 -7.474 1.00 0.00 C ATOM 807 CE1 PHE A 51 9.559 9.342 -10.125 1.00 0.00 C ATOM 808 CE2 PHE A 51 10.598 9.023 -7.998 1.00 0.00 C ATOM 809 CZ PHE A 51 10.458 8.668 -9.324 1.00 0.00 C ATOM 0 H PHE A 51 6.621 9.504 -7.605 1.00 0.00 H new ATOM 0 HA PHE A 51 6.146 12.366 -7.002 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.291 12.762 -8.279 1.00 0.00 H new ATOM 0 HB3 PHE A 51 8.477 12.075 -6.678 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.102 10.895 -10.231 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.947 10.320 -6.434 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.448 9.066 -11.163 1.00 0.00 H new ATOM 0 HE2 PHE A 51 11.304 8.499 -7.370 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.051 7.864 -9.734 1.00 0.00 H new ATOM 875 N LYS A 56 -0.022 10.945 -3.728 1.00 0.00 N ATOM 876 CA LYS A 56 -0.500 11.446 -2.450 1.00 0.00 C ATOM 877 C LYS A 56 -1.772 10.734 -2.049 1.00 0.00 C ATOM 878 O LYS A 56 -2.052 10.561 -0.867 1.00 0.00 O ATOM 879 CB LYS A 56 -0.746 12.953 -2.522 1.00 0.00 C ATOM 880 CG LYS A 56 0.459 13.723 -3.023 1.00 0.00 C ATOM 881 CD LYS A 56 1.689 13.431 -2.183 1.00 0.00 C ATOM 882 CE LYS A 56 2.959 13.675 -2.973 1.00 0.00 C ATOM 883 NZ LYS A 56 3.124 15.104 -3.340 1.00 0.00 N ATOM 0 HA LYS A 56 0.265 11.253 -1.699 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.594 13.147 -3.179 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.019 13.319 -1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 56 0.655 13.460 -4.062 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.246 14.792 -3.000 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.684 14.061 -1.293 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.663 12.396 -1.841 1.00 0.00 H new ATOM 0 HE2 LYS A 56 3.818 13.351 -2.386 1.00 0.00 H new ATOM 0 HE3 LYS A 56 2.944 13.068 -3.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 4.030 15.233 -3.835 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 2.344 15.394 -3.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 3.114 15.687 -2.479 1.00 0.00 H new ATOM 897 N ASN A 57 -2.566 10.381 -3.044 1.00 0.00 N ATOM 898 CA ASN A 57 -3.846 9.736 -2.794 1.00 0.00 C ATOM 899 C ASN A 57 -3.636 8.330 -2.245 1.00 0.00 C ATOM 900 O ASN A 57 -2.751 7.594 -2.690 1.00 0.00 O ATOM 901 CB ASN A 57 -4.712 9.673 -4.057 1.00 0.00 C ATOM 902 CG ASN A 57 -4.591 10.905 -4.934 1.00 0.00 C ATOM 903 OD1 ASN A 57 -4.843 12.028 -4.495 1.00 0.00 O ATOM 904 ND2 ASN A 57 -4.214 10.699 -6.188 1.00 0.00 N ATOM 0 H ASN A 57 -2.350 10.529 -4.030 1.00 0.00 H new ATOM 0 HA ASN A 57 -4.372 10.341 -2.055 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.431 8.794 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -5.755 9.544 -3.767 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.123 11.487 -6.829 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.015 9.752 -6.512 1.00 0.00 H new ATOM 911 N CYS A 58 -4.485 7.975 -1.294 1.00 0.00 N ATOM 912 CA CYS A 58 -4.480 6.678 -0.631 1.00 0.00 C ATOM 913 C CYS A 58 -4.413 5.528 -1.627 1.00 0.00 C ATOM 914 O CYS A 58 -5.100 5.532 -2.646 1.00 0.00 O ATOM 915 CB CYS A 58 -5.745 6.601 0.213 1.00 0.00 C ATOM 916 SG CYS A 58 -6.184 4.990 0.888 1.00 0.00 S ATOM 0 H CYS A 58 -5.217 8.597 -0.952 1.00 0.00 H new ATOM 0 HA CYS A 58 -3.591 6.583 -0.007 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -5.640 7.299 1.044 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -6.579 6.952 -0.395 1.00 0.00 H new ATOM 0 HG CYS A 58 -7.217 5.113 1.667 1.00 0.00 H new ATOM 921 N ILE A 59 -3.507 4.602 -1.366 1.00 0.00 N ATOM 922 CA ILE A 59 -3.225 3.506 -2.283 1.00 0.00 C ATOM 923 C ILE A 59 -4.373 2.494 -2.355 1.00 0.00 C ATOM 924 O ILE A 59 -4.573 1.849 -3.384 1.00 0.00 O ATOM 925 CB ILE A 59 -1.910 2.793 -1.890 1.00 0.00 C ATOM 926 CG1 ILE A 59 -2.018 2.144 -0.505 1.00 0.00 C ATOM 927 CG2 ILE A 59 -0.762 3.790 -1.916 1.00 0.00 C ATOM 928 CD1 ILE A 59 -0.743 1.464 -0.044 1.00 0.00 C ATOM 0 H ILE A 59 -2.946 4.586 -0.514 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.115 3.944 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.720 2.000 -2.613 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -2.295 2.907 0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.824 1.411 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.164 3.286 -1.639 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.663 4.205 -2.919 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.963 4.595 -1.209 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.899 1.029 0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.475 0.677 -0.749 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.063 2.196 0.005 1.00 0.00 H new ATOM 940 N ILE A 60 -5.070 2.306 -1.241 1.00 0.00 N ATOM 941 CA ILE A 60 -6.122 1.297 -1.155 1.00 0.00 C ATOM 942 C ILE A 60 -7.383 1.692 -1.937 1.00 0.00 C ATOM 943 O ILE A 60 -7.963 0.860 -2.638 1.00 0.00 O ATOM 944 CB ILE A 60 -6.473 0.984 0.321 1.00 0.00 C ATOM 945 CG1 ILE A 60 -5.361 0.142 0.950 1.00 0.00 C ATOM 946 CG2 ILE A 60 -7.812 0.268 0.440 1.00 0.00 C ATOM 947 CD1 ILE A 60 -5.650 -0.288 2.373 1.00 0.00 C ATOM 0 H ILE A 60 -4.927 2.839 -0.383 1.00 0.00 H new ATOM 0 HA ILE A 60 -5.726 0.394 -1.620 1.00 0.00 H new ATOM 0 HB ILE A 60 -6.559 1.929 0.857 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -5.200 -0.745 0.338 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.433 0.713 0.934 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -8.024 0.065 1.490 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -8.599 0.898 0.026 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -7.772 -0.672 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -4.817 -0.881 2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -5.781 0.594 3.000 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -6.560 -0.887 2.394 1.00 0.00 H new ATOM 959 N CYS A 61 -7.825 2.942 -1.816 1.00 0.00 N ATOM 960 CA CYS A 61 -9.042 3.356 -2.512 1.00 0.00 C ATOM 961 C CYS A 61 -8.740 4.265 -3.698 1.00 0.00 C ATOM 962 O CYS A 61 -9.651 4.617 -4.447 1.00 0.00 O ATOM 963 CB CYS A 61 -10.036 4.034 -1.563 1.00 0.00 C ATOM 964 SG CYS A 61 -9.434 5.541 -0.774 1.00 0.00 S ATOM 0 H CYS A 61 -7.374 3.668 -1.259 1.00 0.00 H new ATOM 0 HA CYS A 61 -9.503 2.445 -2.895 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -10.942 4.271 -2.120 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -10.316 3.323 -0.786 1.00 0.00 H new ATOM 0 HG CYS A 61 -8.292 5.304 -0.201 1.00 0.00 H new ATOM 969 N ASN A 62 -7.455 4.608 -3.877 1.00 0.00 N ATOM 970 CA ASN A 62 -6.985 5.438 -5.002 1.00 0.00 C ATOM 971 C ASN A 62 -7.921 6.606 -5.301 1.00 0.00 C ATOM 972 O ASN A 62 -8.274 6.858 -6.454 1.00 0.00 O ATOM 973 CB ASN A 62 -6.774 4.604 -6.279 1.00 0.00 C ATOM 974 CG ASN A 62 -7.992 3.805 -6.725 1.00 0.00 C ATOM 975 OD1 ASN A 62 -8.258 2.718 -6.216 1.00 0.00 O ATOM 976 ND2 ASN A 62 -8.763 4.354 -7.652 1.00 0.00 N ATOM 0 H ASN A 62 -6.709 4.318 -3.245 1.00 0.00 H new ATOM 0 HA ASN A 62 -6.026 5.847 -4.685 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.478 5.272 -7.088 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -5.945 3.916 -6.114 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -9.607 3.873 -7.964 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -8.513 5.258 -8.054 1.00 0.00 H new ATOM 983 N LEU A 63 -8.353 7.291 -4.261 1.00 0.00 N ATOM 984 CA LEU A 63 -9.339 8.344 -4.421 1.00 0.00 C ATOM 985 C LEU A 63 -9.120 9.444 -3.395 1.00 0.00 C ATOM 986 O LEU A 63 -8.840 10.594 -3.741 1.00 0.00 O ATOM 987 CB LEU A 63 -10.732 7.734 -4.246 1.00 0.00 C ATOM 988 CG LEU A 63 -11.780 8.156 -5.274 1.00 0.00 C ATOM 989 CD1 LEU A 63 -11.899 9.668 -5.343 1.00 0.00 C ATOM 990 CD2 LEU A 63 -11.440 7.574 -6.634 1.00 0.00 C ATOM 0 H LEU A 63 -8.040 7.140 -3.302 1.00 0.00 H new ATOM 0 HA LEU A 63 -9.243 8.786 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -10.638 6.648 -4.276 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -11.099 7.995 -3.253 1.00 0.00 H new ATOM 0 HG LEU A 63 -12.748 7.765 -4.962 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.652 9.940 -6.083 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -12.192 10.055 -4.367 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -10.938 10.096 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -12.193 7.881 -7.360 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -10.462 7.937 -6.951 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -11.420 6.486 -6.570 1.00 0.00 H new ATOM 1002 N ASN A 64 -9.213 9.073 -2.135 1.00 0.00 N ATOM 1003 CA ASN A 64 -8.986 10.003 -1.047 1.00 0.00 C ATOM 1004 C ASN A 64 -7.494 10.129 -0.791 1.00 0.00 C ATOM 1005 O ASN A 64 -6.777 9.140 -0.857 1.00 0.00 O ATOM 1006 CB ASN A 64 -9.708 9.529 0.218 1.00 0.00 C ATOM 1007 CG ASN A 64 -11.209 9.438 0.029 1.00 0.00 C ATOM 1008 OD1 ASN A 64 -11.873 10.434 -0.242 1.00 0.00 O ATOM 1009 ND2 ASN A 64 -11.754 8.240 0.171 1.00 0.00 N ATOM 0 H ASN A 64 -9.446 8.126 -1.837 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.384 10.980 -1.321 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.322 8.552 0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -9.489 10.215 1.036 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.760 8.120 0.055 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.168 7.436 0.397 1.00 0.00 H new ATOM 1016 N VAL A 65 -7.028 11.345 -0.550 1.00 0.00 N ATOM 1017 CA VAL A 65 -5.616 11.596 -0.281 1.00 0.00 C ATOM 1018 C VAL A 65 -5.170 10.853 0.977 1.00 0.00 C ATOM 1019 O VAL A 65 -5.909 10.776 1.960 1.00 0.00 O ATOM 1020 CB VAL A 65 -5.333 13.108 -0.120 1.00 0.00 C ATOM 1021 CG1 VAL A 65 -3.847 13.368 0.080 1.00 0.00 C ATOM 1022 CG2 VAL A 65 -5.849 13.872 -1.328 1.00 0.00 C ATOM 0 H VAL A 65 -7.611 12.182 -0.535 1.00 0.00 H new ATOM 0 HA VAL A 65 -5.049 11.229 -1.136 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.858 13.460 0.768 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.677 14.439 0.190 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.505 12.852 0.977 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -3.294 13.000 -0.784 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -5.643 14.935 -1.201 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.350 13.510 -2.227 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.924 13.719 -1.423 1.00 0.00 H new ATOM 1032 N GLY A 66 -3.994 10.249 0.911 1.00 0.00 N ATOM 1033 CA GLY A 66 -3.493 9.463 2.013 1.00 0.00 C ATOM 1034 C GLY A 66 -2.937 10.306 3.141 1.00 0.00 C ATOM 1035 O GLY A 66 -2.971 11.537 3.095 1.00 0.00 O ATOM 0 H GLY A 66 -3.373 10.292 0.103 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.297 8.836 2.399 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.713 8.794 1.649 1.00 0.00 H new ATOM 1039 N VAL A 67 -2.456 9.626 4.166 1.00 0.00 N ATOM 1040 CA VAL A 67 -1.924 10.267 5.357 1.00 0.00 C ATOM 1041 C VAL A 67 -1.325 9.211 6.271 1.00 0.00 C ATOM 1042 O VAL A 67 -0.237 9.378 6.824 1.00 0.00 O ATOM 1043 CB VAL A 67 -3.021 11.057 6.110 1.00 0.00 C ATOM 1044 CG1 VAL A 67 -4.198 10.169 6.505 1.00 0.00 C ATOM 1045 CG2 VAL A 67 -2.441 11.761 7.326 1.00 0.00 C ATOM 0 H VAL A 67 -2.423 8.607 4.197 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.153 10.975 5.053 1.00 0.00 H new ATOM 0 HB VAL A 67 -3.404 11.812 5.423 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.943 10.766 7.031 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -4.645 9.737 5.609 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.847 9.369 7.157 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -3.230 12.310 7.840 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.012 11.023 8.004 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.664 12.456 7.008 1.00 0.00 H new ATOM 1055 N ASN A 68 -2.020 8.091 6.334 1.00 0.00 N ATOM 1056 CA ASN A 68 -1.574 6.924 7.079 1.00 0.00 C ATOM 1057 C ASN A 68 -0.597 6.123 6.227 1.00 0.00 C ATOM 1058 O ASN A 68 -0.409 6.423 5.050 1.00 0.00 O ATOM 1059 CB ASN A 68 -2.775 6.037 7.449 1.00 0.00 C ATOM 1060 CG ASN A 68 -3.876 6.766 8.211 1.00 0.00 C ATOM 1061 OD1 ASN A 68 -5.022 6.335 8.210 1.00 0.00 O ATOM 1062 ND2 ASN A 68 -3.539 7.849 8.892 1.00 0.00 N ATOM 0 H ASN A 68 -2.917 7.962 5.867 1.00 0.00 H new ATOM 0 HA ASN A 68 -1.082 7.254 7.994 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -3.197 5.616 6.536 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -2.423 5.200 8.053 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -4.242 8.349 9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -2.576 8.184 8.873 1.00 0.00 H new ATOM 1069 N ASP A 69 -0.051 5.064 6.795 1.00 0.00 N ATOM 1070 CA ASP A 69 0.840 4.164 6.061 1.00 0.00 C ATOM 1071 C ASP A 69 0.247 2.770 6.024 1.00 0.00 C ATOM 1072 O ASP A 69 -0.222 2.258 7.040 1.00 0.00 O ATOM 1073 CB ASP A 69 2.222 4.094 6.728 1.00 0.00 C ATOM 1074 CG ASP A 69 2.994 5.398 6.695 1.00 0.00 C ATOM 1075 OD1 ASP A 69 2.649 6.296 5.903 1.00 0.00 O ATOM 1076 OD2 ASP A 69 3.975 5.520 7.461 1.00 0.00 O ATOM 0 H ASP A 69 -0.206 4.799 7.768 1.00 0.00 H new ATOM 0 HA ASP A 69 0.951 4.553 5.049 1.00 0.00 H new ATOM 0 HB2 ASP A 69 2.097 3.785 7.766 1.00 0.00 H new ATOM 0 HB3 ASP A 69 2.813 3.322 6.234 1.00 0.00 H new ATOM 1081 N ALA A 70 0.291 2.149 4.860 1.00 0.00 N ATOM 1082 CA ALA A 70 -0.191 0.790 4.711 1.00 0.00 C ATOM 1083 C ALA A 70 0.829 -0.203 5.239 1.00 0.00 C ATOM 1084 O ALA A 70 2.037 0.001 5.105 1.00 0.00 O ATOM 1085 CB ALA A 70 -0.504 0.486 3.261 1.00 0.00 C ATOM 0 H ALA A 70 0.656 2.565 4.003 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.107 0.695 5.294 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.864 -0.539 3.174 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -1.272 1.172 2.903 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.398 0.606 2.661 1.00 0.00 H new ATOM 1091 N PHE A 71 0.340 -1.293 5.799 1.00 0.00 N ATOM 1092 CA PHE A 71 1.201 -2.354 6.281 1.00 0.00 C ATOM 1093 C PHE A 71 0.781 -3.684 5.677 1.00 0.00 C ATOM 1094 O PHE A 71 -0.380 -4.078 5.782 1.00 0.00 O ATOM 1095 CB PHE A 71 1.142 -2.463 7.810 1.00 0.00 C ATOM 1096 CG PHE A 71 1.929 -1.423 8.559 1.00 0.00 C ATOM 1097 CD1 PHE A 71 1.588 -0.081 8.496 1.00 0.00 C ATOM 1098 CD2 PHE A 71 3.004 -1.798 9.349 1.00 0.00 C ATOM 1099 CE1 PHE A 71 2.305 0.865 9.202 1.00 0.00 C ATOM 1100 CE2 PHE A 71 3.722 -0.858 10.060 1.00 0.00 C ATOM 1101 CZ PHE A 71 3.375 0.477 9.985 1.00 0.00 C ATOM 0 H PHE A 71 -0.656 -1.467 5.932 1.00 0.00 H new ATOM 0 HA PHE A 71 2.221 -2.114 5.982 1.00 0.00 H new ATOM 0 HB2 PHE A 71 0.100 -2.401 8.122 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.504 -3.449 8.102 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.751 0.229 7.887 1.00 0.00 H new ATOM 0 HD2 PHE A 71 3.284 -2.839 9.409 1.00 0.00 H new ATOM 0 HE1 PHE A 71 2.029 1.908 9.142 1.00 0.00 H new ATOM 0 HE2 PHE A 71 4.555 -1.166 10.675 1.00 0.00 H new ATOM 0 HZ PHE A 71 3.938 1.215 10.537 1.00 0.00 H new ATOM 1111 N TYR A 72 1.751 -4.434 5.182 1.00 0.00 N ATOM 1112 CA TYR A 72 1.499 -5.808 4.787 1.00 0.00 C ATOM 1113 C TYR A 72 1.245 -6.616 6.042 1.00 0.00 C ATOM 1114 O TYR A 72 2.059 -6.594 6.971 1.00 0.00 O ATOM 1115 CB TYR A 72 2.688 -6.422 4.037 1.00 0.00 C ATOM 1116 CG TYR A 72 3.148 -5.640 2.831 1.00 0.00 C ATOM 1117 CD1 TYR A 72 2.397 -5.613 1.664 1.00 0.00 C ATOM 1118 CD2 TYR A 72 4.346 -4.940 2.858 1.00 0.00 C ATOM 1119 CE1 TYR A 72 2.824 -4.905 0.558 1.00 0.00 C ATOM 1120 CE2 TYR A 72 4.780 -4.230 1.760 1.00 0.00 C ATOM 1121 CZ TYR A 72 4.018 -4.214 0.612 1.00 0.00 C ATOM 1122 OH TYR A 72 4.455 -3.494 -0.476 1.00 0.00 O ATOM 0 H TYR A 72 2.711 -4.118 5.045 1.00 0.00 H new ATOM 0 HA TYR A 72 0.641 -5.822 4.115 1.00 0.00 H new ATOM 0 HB2 TYR A 72 3.524 -6.521 4.729 1.00 0.00 H new ATOM 0 HB3 TYR A 72 2.418 -7.429 3.718 1.00 0.00 H new ATOM 0 HD1 TYR A 72 1.464 -6.154 1.620 1.00 0.00 H new ATOM 0 HD2 TYR A 72 4.948 -4.952 3.755 1.00 0.00 H new ATOM 0 HE1 TYR A 72 2.228 -4.892 -0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 72 5.713 -3.688 1.799 1.00 0.00 H new ATOM 0 HH TYR A 72 4.130 -3.915 -1.299 1.00 0.00 H new ATOM 1132 N CYS A 73 0.081 -7.225 6.127 1.00 0.00 N ATOM 1133 CA CYS A 73 -0.285 -7.947 7.325 1.00 0.00 C ATOM 1134 C CYS A 73 0.555 -9.211 7.463 1.00 0.00 C ATOM 1135 O CYS A 73 1.162 -9.671 6.493 1.00 0.00 O ATOM 1136 CB CYS A 73 -1.774 -8.292 7.329 1.00 0.00 C ATOM 1137 SG CYS A 73 -2.209 -9.747 6.352 1.00 0.00 S ATOM 0 H CYS A 73 -0.622 -7.235 5.388 1.00 0.00 H new ATOM 0 HA CYS A 73 -0.087 -7.301 8.180 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -2.094 -8.453 8.359 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -2.333 -7.436 6.951 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.251 -9.483 5.621 1.00 0.00 H new ATOM 1142 N TRP A 74 0.575 -9.743 8.672 1.00 0.00 N ATOM 1143 CA TRP A 74 1.306 -10.954 9.017 1.00 0.00 C ATOM 1144 C TRP A 74 1.144 -12.039 7.965 1.00 0.00 C ATOM 1145 O TRP A 74 2.122 -12.600 7.472 1.00 0.00 O ATOM 1146 CB TRP A 74 0.775 -11.453 10.355 1.00 0.00 C ATOM 1147 CG TRP A 74 1.278 -12.797 10.782 1.00 0.00 C ATOM 1148 CD1 TRP A 74 0.539 -13.751 11.395 1.00 0.00 C ATOM 1149 CD2 TRP A 74 2.595 -13.343 10.630 1.00 0.00 C ATOM 1150 NE1 TRP A 74 1.309 -14.853 11.666 1.00 0.00 N ATOM 1151 CE2 TRP A 74 2.580 -14.629 11.201 1.00 0.00 C ATOM 1152 CE3 TRP A 74 3.782 -12.869 10.075 1.00 0.00 C ATOM 1153 CZ2 TRP A 74 3.707 -15.443 11.235 1.00 0.00 C ATOM 1154 CZ3 TRP A 74 4.902 -13.678 10.104 1.00 0.00 C ATOM 1155 CH2 TRP A 74 4.857 -14.952 10.682 1.00 0.00 C ATOM 0 H TRP A 74 0.072 -9.337 9.461 1.00 0.00 H new ATOM 0 HA TRP A 74 2.369 -10.721 9.074 1.00 0.00 H new ATOM 0 HB2 TRP A 74 1.034 -10.725 11.124 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -0.313 -11.490 10.304 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -0.509 -13.658 11.637 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.989 -15.700 12.136 1.00 0.00 H new ATOM 0 HE3 TRP A 74 3.826 -11.886 9.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.675 -16.426 11.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 5.826 -13.322 9.674 1.00 0.00 H new ATOM 0 HH2 TRP A 74 5.750 -15.560 10.691 1.00 0.00 H new ATOM 1166 N GLU A 75 -0.095 -12.378 7.694 1.00 0.00 N ATOM 1167 CA GLU A 75 -0.397 -13.492 6.814 1.00 0.00 C ATOM 1168 C GLU A 75 0.142 -13.266 5.402 1.00 0.00 C ATOM 1169 O GLU A 75 0.803 -14.143 4.843 1.00 0.00 O ATOM 1170 CB GLU A 75 -1.904 -13.749 6.779 1.00 0.00 C ATOM 1171 CG GLU A 75 -2.499 -14.066 8.143 1.00 0.00 C ATOM 1172 CD GLU A 75 -1.983 -15.366 8.731 1.00 0.00 C ATOM 1173 OE1 GLU A 75 -1.210 -16.074 8.052 1.00 0.00 O ATOM 1174 OE2 GLU A 75 -2.370 -15.700 9.868 1.00 0.00 O ATOM 0 H GLU A 75 -0.914 -11.900 8.069 1.00 0.00 H new ATOM 0 HA GLU A 75 0.104 -14.373 7.215 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -2.404 -12.872 6.368 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -2.107 -14.578 6.101 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -2.274 -13.250 8.829 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -3.584 -14.119 8.056 1.00 0.00 H new ATOM 1181 N CYS A 76 -0.091 -12.080 4.850 1.00 0.00 N ATOM 1182 CA CYS A 76 0.415 -11.754 3.520 1.00 0.00 C ATOM 1183 C CYS A 76 1.934 -11.683 3.515 1.00 0.00 C ATOM 1184 O CYS A 76 2.573 -12.111 2.561 1.00 0.00 O ATOM 1185 CB CYS A 76 -0.152 -10.428 3.009 1.00 0.00 C ATOM 1186 SG CYS A 76 -1.930 -10.438 2.706 1.00 0.00 S ATOM 0 H CYS A 76 -0.622 -11.333 5.298 1.00 0.00 H new ATOM 0 HA CYS A 76 0.089 -12.554 2.855 1.00 0.00 H new ATOM 0 HB2 CYS A 76 0.075 -9.647 3.735 1.00 0.00 H new ATOM 0 HB3 CYS A 76 0.359 -10.162 2.084 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.438 -9.296 3.064 1.00 0.00 H new ATOM 1191 N CYS A 77 2.503 -11.099 4.558 1.00 0.00 N ATOM 1192 CA CYS A 77 3.947 -10.921 4.634 1.00 0.00 C ATOM 1193 C CYS A 77 4.649 -12.271 4.770 1.00 0.00 C ATOM 1194 O CYS A 77 5.671 -12.512 4.126 1.00 0.00 O ATOM 1195 CB CYS A 77 4.312 -10.005 5.804 1.00 0.00 C ATOM 1196 SG CYS A 77 6.044 -9.480 5.832 1.00 0.00 S ATOM 0 H CYS A 77 1.989 -10.740 5.363 1.00 0.00 H new ATOM 0 HA CYS A 77 4.285 -10.452 3.710 1.00 0.00 H new ATOM 0 HB2 CYS A 77 3.677 -9.120 5.768 1.00 0.00 H new ATOM 0 HB3 CYS A 77 4.086 -10.521 6.737 1.00 0.00 H new ATOM 0 HG CYS A 77 6.201 -8.548 6.725 1.00 0.00 H new ATOM 1202 N ARG A 78 4.072 -13.161 5.573 1.00 0.00 N ATOM 1203 CA ARG A 78 4.620 -14.500 5.761 1.00 0.00 C ATOM 1204 C ARG A 78 4.603 -15.274 4.446 1.00 0.00 C ATOM 1205 O ARG A 78 5.590 -15.910 4.074 1.00 0.00 O ATOM 1206 CB ARG A 78 3.823 -15.255 6.833 1.00 0.00 C ATOM 1207 CG ARG A 78 4.251 -16.701 7.016 1.00 0.00 C ATOM 1208 CD ARG A 78 5.715 -16.814 7.413 1.00 0.00 C ATOM 1209 NE ARG A 78 6.168 -18.203 7.418 1.00 0.00 N ATOM 1210 CZ ARG A 78 7.418 -18.586 7.674 1.00 0.00 C ATOM 1211 NH1 ARG A 78 8.326 -17.697 8.056 1.00 0.00 N ATOM 1212 NH2 ARG A 78 7.747 -19.866 7.580 1.00 0.00 N ATOM 0 H ARG A 78 3.222 -12.977 6.106 1.00 0.00 H new ATOM 0 HA ARG A 78 5.654 -14.407 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.927 -14.733 7.784 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.766 -15.230 6.570 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.631 -17.169 7.780 1.00 0.00 H new ATOM 0 HG3 ARG A 78 4.083 -17.249 6.089 1.00 0.00 H new ATOM 0 HD2 ARG A 78 6.326 -16.235 6.720 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.858 -16.381 8.403 1.00 0.00 H new ATOM 0 HE ARG A 78 5.481 -18.928 7.212 1.00 0.00 H new ATOM 0 HH11 ARG A 78 8.068 -16.715 8.155 1.00 0.00 H new ATOM 0 HH12 ARG A 78 9.282 -17.996 8.251 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.044 -20.555 7.312 1.00 0.00 H new ATOM 0 HH22 ARG A 78 8.703 -20.162 7.775 1.00 0.00 H new ATOM 1226 N LEU A 79 3.495 -15.169 3.725 1.00 0.00 N ATOM 1227 CA LEU A 79 3.355 -15.809 2.422 1.00 0.00 C ATOM 1228 C LEU A 79 4.209 -15.107 1.372 1.00 0.00 C ATOM 1229 O LEU A 79 4.519 -15.678 0.323 1.00 0.00 O ATOM 1230 CB LEU A 79 1.894 -15.792 1.974 1.00 0.00 C ATOM 1231 CG LEU A 79 0.947 -16.670 2.789 1.00 0.00 C ATOM 1232 CD1 LEU A 79 -0.484 -16.472 2.322 1.00 0.00 C ATOM 1233 CD2 LEU A 79 1.345 -18.133 2.674 1.00 0.00 C ATOM 0 H LEU A 79 2.674 -14.643 4.023 1.00 0.00 H new ATOM 0 HA LEU A 79 3.695 -16.840 2.522 1.00 0.00 H new ATOM 0 HB2 LEU A 79 1.532 -14.764 2.012 1.00 0.00 H new ATOM 0 HB3 LEU A 79 1.848 -16.108 0.932 1.00 0.00 H new ATOM 0 HG LEU A 79 1.016 -16.377 3.836 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.150 -17.103 2.911 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.767 -15.427 2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.564 -16.743 1.269 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.659 -18.744 3.261 1.00 0.00 H new ATOM 0 HD22 LEU A 79 1.302 -18.441 1.629 1.00 0.00 H new ATOM 0 HD23 LEU A 79 2.360 -18.265 3.049 1.00 0.00 H new ATOM 1245 N GLY A 80 4.451 -13.826 1.597 1.00 0.00 N ATOM 1246 CA GLY A 80 5.116 -13.010 0.607 1.00 0.00 C ATOM 1247 C GLY A 80 4.167 -12.628 -0.504 1.00 0.00 C ATOM 1248 O GLY A 80 4.499 -12.731 -1.681 1.00 0.00 O ATOM 0 H GLY A 80 4.196 -13.335 2.454 1.00 0.00 H new ATOM 0 HA2 GLY A 80 5.511 -12.110 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 80 5.966 -13.553 0.194 1.00 0.00 H new ATOM 1252 N LYS A 81 2.959 -12.225 -0.120 1.00 0.00 N ATOM 1253 CA LYS A 81 1.934 -11.852 -1.077 1.00 0.00 C ATOM 1254 C LYS A 81 1.959 -10.362 -1.344 1.00 0.00 C ATOM 1255 O LYS A 81 0.936 -9.777 -1.669 1.00 0.00 O ATOM 1256 CB LYS A 81 0.544 -12.232 -0.570 1.00 0.00 C ATOM 1257 CG LYS A 81 0.298 -13.723 -0.473 1.00 0.00 C ATOM 1258 CD LYS A 81 -1.137 -14.020 -0.062 1.00 0.00 C ATOM 1259 CE LYS A 81 -2.137 -13.489 -1.079 1.00 0.00 C ATOM 1260 NZ LYS A 81 -1.975 -14.135 -2.410 1.00 0.00 N ATOM 0 H LYS A 81 2.669 -12.150 0.855 1.00 0.00 H new ATOM 0 HA LYS A 81 2.146 -12.393 -1.999 1.00 0.00 H new ATOM 0 HB2 LYS A 81 0.396 -11.787 0.414 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -0.203 -11.795 -1.233 1.00 0.00 H new ATOM 0 HG2 LYS A 81 0.508 -14.192 -1.434 1.00 0.00 H new ATOM 0 HG3 LYS A 81 0.984 -14.161 0.252 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -1.268 -15.096 0.049 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -1.336 -13.573 0.912 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -3.150 -13.659 -0.714 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -2.012 -12.411 -1.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -2.774 -13.874 -3.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -1.087 -13.815 -2.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -1.951 -15.168 -2.294 1.00 0.00 H new ATOM 1274 N ASP A 82 3.138 -9.762 -1.266 1.00 0.00 N ATOM 1275 CA ASP A 82 3.287 -8.339 -1.563 1.00 0.00 C ATOM 1276 C ASP A 82 3.082 -8.085 -3.052 1.00 0.00 C ATOM 1277 O ASP A 82 3.093 -6.943 -3.507 1.00 0.00 O ATOM 1278 CB ASP A 82 4.661 -7.830 -1.129 1.00 0.00 C ATOM 1279 CG ASP A 82 5.789 -8.393 -1.966 1.00 0.00 C ATOM 1280 OD1 ASP A 82 6.022 -9.619 -1.914 1.00 0.00 O ATOM 1281 OD2 ASP A 82 6.457 -7.615 -2.669 1.00 0.00 O ATOM 0 H ASP A 82 4.003 -10.233 -1.001 1.00 0.00 H new ATOM 0 HA ASP A 82 2.527 -7.795 -1.002 1.00 0.00 H new ATOM 0 HB2 ASP A 82 4.676 -6.742 -1.192 1.00 0.00 H new ATOM 0 HB3 ASP A 82 4.826 -8.091 -0.084 1.00 0.00 H new ATOM 1286 N LYS A 83 2.842 -9.172 -3.783 1.00 0.00 N ATOM 1287 CA LYS A 83 2.556 -9.137 -5.207 1.00 0.00 C ATOM 1288 C LYS A 83 3.690 -8.492 -5.984 1.00 0.00 C ATOM 1289 O LYS A 83 3.478 -7.946 -7.069 1.00 0.00 O ATOM 1290 CB LYS A 83 1.237 -8.422 -5.477 1.00 0.00 C ATOM 1291 CG LYS A 83 0.036 -9.082 -4.821 1.00 0.00 C ATOM 1292 CD LYS A 83 -1.256 -8.417 -5.252 1.00 0.00 C ATOM 1293 CE LYS A 83 -2.463 -9.057 -4.593 1.00 0.00 C ATOM 1294 NZ LYS A 83 -3.736 -8.511 -5.131 1.00 0.00 N ATOM 0 H LYS A 83 2.842 -10.114 -3.392 1.00 0.00 H new ATOM 0 HA LYS A 83 2.463 -10.167 -5.552 1.00 0.00 H new ATOM 0 HB2 LYS A 83 1.313 -7.394 -5.123 1.00 0.00 H new ATOM 0 HB3 LYS A 83 1.072 -8.378 -6.554 1.00 0.00 H new ATOM 0 HG2 LYS A 83 0.010 -10.139 -5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 83 0.133 -9.026 -3.737 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -1.222 -7.357 -4.999 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.355 -8.483 -6.335 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -2.434 -10.135 -4.750 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -2.421 -8.890 -3.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -4.539 -8.972 -4.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.774 -7.486 -4.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.787 -8.693 -6.154 1.00 0.00 H new ATOM 1308 N ASP A 84 4.901 -8.655 -5.451 1.00 0.00 N ATOM 1309 CA ASP A 84 6.140 -8.217 -6.098 1.00 0.00 C ATOM 1310 C ASP A 84 6.428 -6.738 -5.872 1.00 0.00 C ATOM 1311 O ASP A 84 7.590 -6.353 -5.731 1.00 0.00 O ATOM 1312 CB ASP A 84 6.138 -8.539 -7.601 1.00 0.00 C ATOM 1313 CG ASP A 84 7.376 -8.037 -8.317 1.00 0.00 C ATOM 1314 OD1 ASP A 84 8.503 -8.336 -7.858 1.00 0.00 O ATOM 1315 OD2 ASP A 84 7.233 -7.369 -9.363 1.00 0.00 O ATOM 0 H ASP A 84 5.052 -9.101 -4.546 1.00 0.00 H new ATOM 0 HA ASP A 84 6.943 -8.781 -5.625 1.00 0.00 H new ATOM 0 HB2 ASP A 84 6.060 -9.618 -7.735 1.00 0.00 H new ATOM 0 HB3 ASP A 84 5.255 -8.096 -8.061 1.00 0.00 H new ATOM 1320 N GLY A 85 5.404 -5.898 -5.844 1.00 0.00 N ATOM 1321 CA GLY A 85 5.674 -4.491 -5.680 1.00 0.00 C ATOM 1322 C GLY A 85 4.480 -3.638 -5.316 1.00 0.00 C ATOM 1323 O GLY A 85 3.814 -3.886 -4.316 1.00 0.00 O ATOM 0 H GLY A 85 4.421 -6.157 -5.929 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.433 -4.372 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 85 6.102 -4.110 -6.608 1.00 0.00 H new ATOM 1327 N CYS A 86 4.386 -2.515 -6.026 1.00 0.00 N ATOM 1328 CA CYS A 86 3.455 -1.420 -5.737 1.00 0.00 C ATOM 1329 C CYS A 86 2.010 -1.894 -5.557 1.00 0.00 C ATOM 1330 O CYS A 86 1.295 -2.134 -6.531 1.00 0.00 O ATOM 1331 CB CYS A 86 3.563 -0.430 -6.901 1.00 0.00 C ATOM 1332 SG CYS A 86 2.835 1.201 -6.655 1.00 0.00 S ATOM 0 H CYS A 86 4.971 -2.334 -6.842 1.00 0.00 H new ATOM 0 HA CYS A 86 3.724 -0.956 -4.788 1.00 0.00 H new ATOM 0 HB2 CYS A 86 4.619 -0.298 -7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 86 3.095 -0.882 -7.775 1.00 0.00 H new ATOM 0 HG CYS A 86 3.469 2.073 -7.381 1.00 0.00 H new ATOM 1337 N PRO A 87 1.545 -1.968 -4.298 1.00 0.00 N ATOM 1338 CA PRO A 87 0.200 -2.409 -3.962 1.00 0.00 C ATOM 1339 C PRO A 87 -0.804 -1.263 -3.884 1.00 0.00 C ATOM 1340 O PRO A 87 -1.667 -1.239 -3.004 1.00 0.00 O ATOM 1341 CB PRO A 87 0.410 -3.046 -2.595 1.00 0.00 C ATOM 1342 CG PRO A 87 1.471 -2.212 -1.961 1.00 0.00 C ATOM 1343 CD PRO A 87 2.307 -1.634 -3.082 1.00 0.00 C ATOM 0 HA PRO A 87 -0.223 -3.075 -4.714 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.508 -3.038 -2.007 1.00 0.00 H new ATOM 0 HB3 PRO A 87 0.722 -4.087 -2.684 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.029 -1.417 -1.360 1.00 0.00 H new ATOM 0 HG3 PRO A 87 2.086 -2.814 -1.292 1.00 0.00 H new ATOM 0 HD2 PRO A 87 2.433 -0.557 -2.972 1.00 0.00 H new ATOM 0 HD3 PRO A 87 3.305 -2.071 -3.103 1.00 0.00 H new ATOM 1351 N ARG A 88 -0.754 -0.365 -4.855 1.00 0.00 N ATOM 1352 CA ARG A 88 -1.738 0.699 -4.934 1.00 0.00 C ATOM 1353 C ARG A 88 -2.639 0.480 -6.143 1.00 0.00 C ATOM 1354 O ARG A 88 -2.181 0.042 -7.205 1.00 0.00 O ATOM 1355 CB ARG A 88 -1.066 2.077 -4.979 1.00 0.00 C ATOM 1356 CG ARG A 88 -0.984 2.698 -6.360 1.00 0.00 C ATOM 1357 CD ARG A 88 -0.405 4.102 -6.305 1.00 0.00 C ATOM 1358 NE ARG A 88 -1.237 5.034 -5.536 1.00 0.00 N ATOM 1359 CZ ARG A 88 -2.396 5.539 -5.970 1.00 0.00 C ATOM 1360 NH1 ARG A 88 -2.874 5.187 -7.157 1.00 0.00 N ATOM 1361 NH2 ARG A 88 -3.076 6.392 -5.217 1.00 0.00 N ATOM 0 H ARG A 88 -0.049 -0.352 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 88 -2.353 0.674 -4.034 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -1.613 2.754 -4.323 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -0.057 1.988 -4.575 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -0.366 2.073 -7.005 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -1.978 2.730 -6.805 1.00 0.00 H new ATOM 0 HD2 ARG A 88 0.590 4.062 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -0.287 4.481 -7.320 1.00 0.00 H new ATOM 0 HE ARG A 88 -0.910 5.314 -4.611 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -2.357 4.530 -7.741 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -3.759 5.574 -7.486 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -2.715 6.665 -4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.960 6.775 -5.552 1.00 0.00 H new ATOM 1375 N ILE A 89 -3.926 0.679 -5.937 1.00 0.00 N ATOM 1376 CA ILE A 89 -4.915 0.415 -6.966 1.00 0.00 C ATOM 1377 C ILE A 89 -4.918 1.515 -8.030 1.00 0.00 C ATOM 1378 O ILE A 89 -4.811 2.702 -7.721 1.00 0.00 O ATOM 1379 CB ILE A 89 -6.325 0.262 -6.352 1.00 0.00 C ATOM 1380 CG1 ILE A 89 -6.307 -0.793 -5.237 1.00 0.00 C ATOM 1381 CG2 ILE A 89 -7.345 -0.119 -7.416 1.00 0.00 C ATOM 1382 CD1 ILE A 89 -5.883 -2.173 -5.704 1.00 0.00 C ATOM 0 H ILE A 89 -4.314 1.025 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 89 -4.642 -0.524 -7.447 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.616 1.223 -5.928 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -5.630 -0.463 -4.449 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.302 -0.859 -4.796 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -8.329 -0.220 -6.957 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -7.380 0.657 -8.181 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -7.058 -1.066 -7.872 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.895 -2.862 -4.860 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -6.573 -2.526 -6.471 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.876 -2.124 -6.118 1.00 0.00 H new