USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=27 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 -171:sc= 0.29 USER MOD Set 1.2: A 71 CYS SG : rot -97:sc= -0.191 USER MOD Set 1.3: A 84 HIS : no HD1:sc= -3.09! X(o=-2.2!,f=-2.5) USER MOD Set 1.4: A 88 CYS SG : rot -38:sc= 0.801 USER MOD Set 2.1: A 40 CYS SG : rot 170:sc= -2.16 USER MOD Set 2.2: A 43 CYS SG : rot -65:sc= -1.23 USER MOD Set 2.3: A 56 HIS : no HE2:sc= -5.38! K(o=-17!,f=-17) USER MOD Set 2.4: A 57 MET CE :methyl 175:sc= -5.07! (180deg=-3.17!) USER MOD Set 2.5: A 60 HIS : no HD1:sc= -3 K(o=-17,f=-17) USER MOD Set 3.1: A 13 CYS SG : rot -166:sc= 0.19 USER MOD Set 3.2: A 15 CYS SG : rot -59:sc= 0.541 USER MOD Set 3.3: A 28 HIS : no HD1:sc= -0.825 K(o=-4.2,f=-3.4) USER MOD Set 3.4: A 31 MET CE :methyl -142:sc= -0.613 (180deg=-0.789) USER MOD Set 3.5: A 32 HIS : no HD1:sc= -3.45! K(o=-4.2!,f=-3.4) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0115 X(o=-0.011,f=-0.051) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.051) USER MOD Single : A 22 LYS NZ :NH3+ -161:sc= -0.031 (180deg=-0.253) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 29 MET CE :methyl -133:sc= -0.529 (180deg=-1.78!) USER MOD Single : A 30 SER OG : rot -31:sc= 0.478 USER MOD Single : A 45 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0401) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 HIS : no HD1:sc= -3.04! C(o=-3!,f=-8.9!) USER MOD Single : A 52 HIS : no HD1:sc= -1.46 K(o=-1.5,f=-2.9) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= -0.343 USER MOD Single : A 69 ASN : amide:sc= -0.0233 X(o=-0.023,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl 156:sc= -2.99 (180deg=-3.73!) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 HIS : no HD1:sc= -0.368 K(o=-0.37,f=-1.7) USER MOD Single : A 86 THR OG1 : rot 86:sc= 0.966 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -155:sc= -0.0846 (180deg=-0.476) 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 1.801 6.771 16.773 1.00 0.00 N ATOM 120 CA TYR A 11 3.249 6.803 16.948 1.00 0.00 C ATOM 121 C TYR A 11 3.954 7.022 15.612 1.00 0.00 C ATOM 122 O TYR A 11 3.799 6.250 14.666 1.00 0.00 O ATOM 123 CB TYR A 11 3.735 5.502 17.587 1.00 0.00 C ATOM 124 CG TYR A 11 3.224 5.291 18.995 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.864 5.179 19.251 1.00 0.00 C ATOM 126 CD2 TYR A 11 4.103 5.202 20.067 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.393 4.987 20.536 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.641 5.009 21.355 1.00 0.00 C ATOM 129 CZ TYR A 11 2.285 4.902 21.584 1.00 0.00 C ATOM 130 OH TYR A 11 1.820 4.710 22.865 1.00 0.00 O ATOM 0 HA TYR A 11 3.492 7.636 17.607 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.421 4.663 16.966 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.825 5.499 17.601 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.163 5.243 18.432 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.165 5.285 19.891 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.332 4.904 20.718 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.338 4.942 22.178 1.00 0.00 H new ATOM 0 HH TYR A 11 2.577 4.672 23.486 1.00 0.00 H new ATOM 140 N PRO A 12 4.749 8.099 15.534 1.00 0.00 N ATOM 141 CA PRO A 12 5.496 8.445 14.320 1.00 0.00 C ATOM 142 C PRO A 12 6.630 7.466 14.039 1.00 0.00 C ATOM 143 O PRO A 12 7.481 7.223 14.895 1.00 0.00 O ATOM 144 CB PRO A 12 6.054 9.835 14.632 1.00 0.00 C ATOM 145 CG PRO A 12 6.132 9.888 16.119 1.00 0.00 C ATOM 146 CD PRO A 12 4.980 9.062 16.623 1.00 0.00 C ATOM 0 HA PRO A 12 4.867 8.413 13.431 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.035 9.978 14.179 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.405 10.619 14.242 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.083 9.490 16.475 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.062 10.915 16.477 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.225 8.559 17.559 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.098 9.675 16.812 1.00 0.00 H new ATOM 154 N CYS A 13 6.637 6.906 12.834 1.00 0.00 N ATOM 155 CA CYS A 13 7.667 5.953 12.439 1.00 0.00 C ATOM 156 C CYS A 13 8.778 6.646 11.654 1.00 0.00 C ATOM 157 O CYS A 13 8.577 7.726 11.100 1.00 0.00 O ATOM 158 CB CYS A 13 7.057 4.830 11.597 1.00 0.00 C ATOM 159 SG CYS A 13 8.124 3.364 11.428 1.00 0.00 S ATOM 0 H CYS A 13 5.940 7.096 12.114 1.00 0.00 H new ATOM 0 HA CYS A 13 8.098 5.526 13.345 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.111 4.528 12.045 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.830 5.217 10.604 1.00 0.00 H new ATOM 0 HG CYS A 13 7.672 2.606 10.474 1.00 0.00 H new ATOM 164 N GLN A 14 9.947 6.016 11.613 1.00 0.00 N ATOM 165 CA GLN A 14 11.089 6.572 10.897 1.00 0.00 C ATOM 166 C GLN A 14 10.722 6.890 9.451 1.00 0.00 C ATOM 167 O GLN A 14 11.027 7.971 8.946 1.00 0.00 O ATOM 168 CB GLN A 14 12.266 5.596 10.934 1.00 0.00 C ATOM 169 CG GLN A 14 13.425 6.006 10.039 1.00 0.00 C ATOM 170 CD GLN A 14 14.211 4.817 9.522 1.00 0.00 C ATOM 171 OE1 GLN A 14 14.483 4.712 8.326 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.581 3.914 10.422 1.00 0.00 N ATOM 0 H GLN A 14 10.128 5.121 12.067 1.00 0.00 H new ATOM 0 HA GLN A 14 11.380 7.499 11.392 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.623 5.509 11.960 1.00 0.00 H new ATOM 0 HB3 GLN A 14 11.918 4.608 10.633 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.042 6.579 9.194 1.00 0.00 H new ATOM 0 HG3 GLN A 14 14.093 6.665 10.594 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.334 4.041 11.403 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.112 3.093 10.132 1.00 0.00 H new ATOM 181 N CYS A 15 10.067 5.942 8.790 1.00 0.00 N ATOM 182 CA CYS A 15 9.659 6.120 7.401 1.00 0.00 C ATOM 183 C CYS A 15 8.735 7.326 7.256 1.00 0.00 C ATOM 184 O CYS A 15 8.675 7.952 6.199 1.00 0.00 O ATOM 185 CB CYS A 15 8.958 4.861 6.889 1.00 0.00 C ATOM 186 SG CYS A 15 7.577 4.300 7.936 1.00 0.00 S ATOM 0 H CYS A 15 9.807 5.042 9.194 1.00 0.00 H new ATOM 0 HA CYS A 15 10.554 6.297 6.805 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.583 5.050 5.883 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.690 4.057 6.810 1.00 0.00 H new ATOM 0 HG CYS A 15 8.015 4.046 9.133 1.00 0.00 H new ATOM 191 N GLY A 16 8.015 7.645 8.328 1.00 0.00 N ATOM 192 CA GLY A 16 7.103 8.774 8.299 1.00 0.00 C ATOM 193 C GLY A 16 5.686 8.384 8.670 1.00 0.00 C ATOM 194 O GLY A 16 4.914 9.210 9.158 1.00 0.00 O ATOM 0 H GLY A 16 8.047 7.142 9.215 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.457 9.541 8.987 1.00 0.00 H new ATOM 0 HA3 GLY A 16 7.106 9.214 7.302 1.00 0.00 H new ATOM 198 N LYS A 17 5.341 7.122 8.438 1.00 0.00 N ATOM 199 CA LYS A 17 4.007 6.623 8.751 1.00 0.00 C ATOM 200 C LYS A 17 3.712 6.756 10.241 1.00 0.00 C ATOM 201 O LYS A 17 4.582 7.137 11.025 1.00 0.00 O ATOM 202 CB LYS A 17 3.874 5.160 8.322 1.00 0.00 C ATOM 203 CG LYS A 17 4.028 4.948 6.826 1.00 0.00 C ATOM 204 CD LYS A 17 3.980 3.473 6.464 1.00 0.00 C ATOM 205 CE LYS A 17 2.552 3.002 6.232 1.00 0.00 C ATOM 206 NZ LYS A 17 2.106 3.250 4.833 1.00 0.00 N ATOM 0 H LYS A 17 5.967 6.426 8.034 1.00 0.00 H new ATOM 0 HA LYS A 17 3.283 7.224 8.201 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.626 4.567 8.844 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.899 4.786 8.635 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.235 5.479 6.299 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.974 5.375 6.493 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.572 3.298 5.566 1.00 0.00 H new ATOM 0 HD3 LYS A 17 4.432 2.886 7.263 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.481 1.937 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.883 3.516 6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.128 2.915 4.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.150 4.269 4.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.728 2.739 4.175 1.00 0.00 H new ATOM 220 N SER A 18 2.480 6.437 10.627 1.00 0.00 N ATOM 221 CA SER A 18 2.070 6.524 12.023 1.00 0.00 C ATOM 222 C SER A 18 1.134 5.375 12.386 1.00 0.00 C ATOM 223 O SER A 18 0.149 5.119 11.692 1.00 0.00 O ATOM 224 CB SER A 18 1.381 7.863 12.293 1.00 0.00 C ATOM 225 OG SER A 18 2.208 8.948 11.908 1.00 0.00 O ATOM 0 H SER A 18 1.749 6.116 9.992 1.00 0.00 H new ATOM 0 HA SER A 18 2.963 6.453 12.643 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.439 7.908 11.747 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.139 7.944 13.353 1.00 0.00 H new ATOM 0 HG SER A 18 1.745 9.793 12.089 1.00 0.00 H new ATOM 231 N PHE A 19 1.448 4.687 13.479 1.00 0.00 N ATOM 232 CA PHE A 19 0.636 3.564 13.935 1.00 0.00 C ATOM 233 C PHE A 19 -0.059 3.895 15.252 1.00 0.00 C ATOM 234 O PHE A 19 0.510 4.563 16.117 1.00 0.00 O ATOM 235 CB PHE A 19 1.503 2.315 14.102 1.00 0.00 C ATOM 236 CG PHE A 19 2.270 1.948 12.864 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.365 2.697 12.463 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.897 0.853 12.101 1.00 0.00 C ATOM 239 CE1 PHE A 19 4.072 2.362 11.324 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.601 0.512 10.961 1.00 0.00 C ATOM 241 CZ PHE A 19 3.690 1.267 10.573 1.00 0.00 C ATOM 0 H PHE A 19 2.258 4.887 14.065 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.127 3.370 13.181 1.00 0.00 H new ATOM 0 HB2 PHE A 19 2.205 2.476 14.920 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.867 1.477 14.388 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.669 3.553 13.048 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.046 0.259 12.400 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.922 2.955 11.021 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.300 -0.344 10.375 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.242 1.002 9.684 1.00 0.00 H new ATOM 251 N THR A 20 -1.293 3.424 15.399 1.00 0.00 N ATOM 252 CA THR A 20 -2.067 3.670 16.609 1.00 0.00 C ATOM 253 C THR A 20 -1.427 2.997 17.818 1.00 0.00 C ATOM 254 O THR A 20 -1.600 3.442 18.953 1.00 0.00 O ATOM 255 CB THR A 20 -3.515 3.166 16.462 1.00 0.00 C ATOM 256 OG1 THR A 20 -4.130 3.768 15.318 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.328 3.486 17.708 1.00 0.00 C ATOM 0 H THR A 20 -1.778 2.869 14.694 1.00 0.00 H new ATOM 0 HA THR A 20 -2.079 4.749 16.762 1.00 0.00 H new ATOM 0 HB THR A 20 -3.488 2.084 16.332 1.00 0.00 H new ATOM 0 HG1 THR A 20 -5.050 3.441 15.231 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.347 3.121 17.581 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.874 3.002 18.573 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.346 4.565 17.864 1.00 0.00 H new ATOM 265 N HIS A 21 -0.685 1.923 17.567 1.00 0.00 N ATOM 266 CA HIS A 21 -0.017 1.189 18.636 1.00 0.00 C ATOM 267 C HIS A 21 1.499 1.329 18.526 1.00 0.00 C ATOM 268 O HIS A 21 2.042 1.471 17.431 1.00 0.00 O ATOM 269 CB HIS A 21 -0.409 -0.288 18.591 1.00 0.00 C ATOM 270 CG HIS A 21 -1.711 -0.583 19.268 1.00 0.00 C ATOM 271 ND1 HIS A 21 -2.404 -1.761 19.087 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.447 0.155 20.132 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.510 -1.735 19.808 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.560 -0.583 20.453 1.00 0.00 N ATOM 0 H HIS A 21 -0.531 1.542 16.633 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.335 1.613 19.588 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.469 -0.608 17.551 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.377 -0.879 19.061 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -2.204 1.141 20.500 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -4.248 -2.522 19.861 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -4.304 -0.290 21.086 1.00 0.00 H new ATOM 282 N LYS A 22 2.176 1.289 19.669 1.00 0.00 N ATOM 283 CA LYS A 22 3.628 1.411 19.703 1.00 0.00 C ATOM 284 C LYS A 22 4.292 0.177 19.101 1.00 0.00 C ATOM 285 O LYS A 22 5.297 0.281 18.398 1.00 0.00 O ATOM 286 CB LYS A 22 4.110 1.613 21.141 1.00 0.00 C ATOM 287 CG LYS A 22 5.617 1.506 21.298 1.00 0.00 C ATOM 288 CD LYS A 22 6.299 2.842 21.053 1.00 0.00 C ATOM 289 CE LYS A 22 7.712 2.858 21.618 1.00 0.00 C ATOM 290 NZ LYS A 22 7.714 2.868 23.107 1.00 0.00 N ATOM 0 H LYS A 22 1.741 1.173 20.584 1.00 0.00 H new ATOM 0 HA LYS A 22 3.909 2.280 19.107 1.00 0.00 H new ATOM 0 HB2 LYS A 22 3.785 2.593 21.490 1.00 0.00 H new ATOM 0 HB3 LYS A 22 3.633 0.872 21.783 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.855 1.153 22.302 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.005 0.765 20.599 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.332 3.044 19.982 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.714 3.640 21.510 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.256 1.984 21.260 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.241 3.736 21.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.639 3.198 23.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.969 3.507 23.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.536 1.906 23.461 1.00 0.00 H new ATOM 304 N SER A 23 3.723 -0.992 19.381 1.00 0.00 N ATOM 305 CA SER A 23 4.261 -2.246 18.870 1.00 0.00 C ATOM 306 C SER A 23 4.233 -2.268 17.344 1.00 0.00 C ATOM 307 O SER A 23 5.183 -2.715 16.702 1.00 0.00 O ATOM 308 CB SER A 23 3.465 -3.430 19.422 1.00 0.00 C ATOM 309 OG SER A 23 4.096 -4.660 19.109 1.00 0.00 O ATOM 0 H SER A 23 2.889 -1.096 19.959 1.00 0.00 H new ATOM 0 HA SER A 23 5.297 -2.328 19.199 1.00 0.00 H new ATOM 0 HB2 SER A 23 3.366 -3.333 20.503 1.00 0.00 H new ATOM 0 HB3 SER A 23 2.457 -3.419 19.008 1.00 0.00 H new ATOM 0 HG SER A 23 3.568 -5.401 19.474 1.00 0.00 H new ATOM 315 N GLN A 24 3.137 -1.780 16.772 1.00 0.00 N ATOM 316 CA GLN A 24 2.984 -1.744 15.322 1.00 0.00 C ATOM 317 C GLN A 24 4.043 -0.849 14.686 1.00 0.00 C ATOM 318 O GLN A 24 4.486 -1.097 13.564 1.00 0.00 O ATOM 319 CB GLN A 24 1.587 -1.246 14.948 1.00 0.00 C ATOM 320 CG GLN A 24 0.507 -2.308 15.081 1.00 0.00 C ATOM 321 CD GLN A 24 0.426 -3.214 13.868 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.089 -4.250 13.807 1.00 0.00 O ATOM 323 NE2 GLN A 24 -0.389 -2.827 12.894 1.00 0.00 N ATOM 0 H GLN A 24 2.343 -1.404 17.290 1.00 0.00 H new ATOM 0 HA GLN A 24 3.114 -2.757 14.942 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.331 -0.398 15.583 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.603 -0.882 13.921 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.703 -2.911 15.968 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.457 -1.823 15.232 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.920 -1.961 12.987 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -0.485 -3.396 12.053 1.00 0.00 H new ATOM 332 N ARG A 25 4.443 0.192 15.409 1.00 0.00 N ATOM 333 CA ARG A 25 5.449 1.124 14.914 1.00 0.00 C ATOM 334 C ARG A 25 6.854 0.565 15.113 1.00 0.00 C ATOM 335 O ARG A 25 7.758 0.832 14.321 1.00 0.00 O ATOM 336 CB ARG A 25 5.319 2.472 15.626 1.00 0.00 C ATOM 337 CG ARG A 25 6.492 3.407 15.378 1.00 0.00 C ATOM 338 CD ARG A 25 7.625 3.151 16.360 1.00 0.00 C ATOM 339 NE ARG A 25 7.544 4.022 17.529 1.00 0.00 N ATOM 340 CZ ARG A 25 8.055 5.247 17.570 1.00 0.00 C ATOM 341 NH1 ARG A 25 8.681 5.743 16.512 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.940 5.979 18.671 1.00 0.00 N ATOM 0 H ARG A 25 4.086 0.411 16.339 1.00 0.00 H new ATOM 0 HA ARG A 25 5.282 1.266 13.846 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.401 2.960 15.298 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.223 2.299 16.698 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.855 3.275 14.359 1.00 0.00 H new ATOM 0 HG3 ARG A 25 6.159 4.441 15.466 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.598 2.110 16.681 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.581 3.305 15.859 1.00 0.00 H new ATOM 0 HE ARG A 25 7.069 3.670 18.360 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.771 5.183 15.664 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.073 6.684 16.546 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.459 5.601 19.487 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.333 6.920 18.701 1.00 0.00 H new ATOM 356 N ASP A 26 7.031 -0.212 16.176 1.00 0.00 N ATOM 357 CA ASP A 26 8.326 -0.811 16.479 1.00 0.00 C ATOM 358 C ASP A 26 8.713 -1.836 15.418 1.00 0.00 C ATOM 359 O ASP A 26 9.785 -1.749 14.819 1.00 0.00 O ATOM 360 CB ASP A 26 8.296 -1.471 17.858 1.00 0.00 C ATOM 361 CG ASP A 26 9.684 -1.793 18.376 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.304 -0.908 19.000 1.00 0.00 O ATOM 363 OD2 ASP A 26 10.150 -2.931 18.156 1.00 0.00 O ATOM 0 H ASP A 26 6.294 -0.442 16.843 1.00 0.00 H new ATOM 0 HA ASP A 26 9.074 -0.018 16.481 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.793 -0.810 18.563 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.709 -2.388 17.806 1.00 0.00 H new ATOM 368 N ARG A 27 7.833 -2.806 15.192 1.00 0.00 N ATOM 369 CA ARG A 27 8.084 -3.850 14.205 1.00 0.00 C ATOM 370 C ARG A 27 8.377 -3.244 12.835 1.00 0.00 C ATOM 371 O ARG A 27 9.144 -3.801 12.050 1.00 0.00 O ATOM 372 CB ARG A 27 6.882 -4.792 14.111 1.00 0.00 C ATOM 373 CG ARG A 27 5.673 -4.170 13.433 1.00 0.00 C ATOM 374 CD ARG A 27 4.653 -5.226 13.035 1.00 0.00 C ATOM 375 NE ARG A 27 4.877 -5.719 11.678 1.00 0.00 N ATOM 376 CZ ARG A 27 4.462 -5.083 10.588 1.00 0.00 C ATOM 377 NH1 ARG A 27 3.806 -3.936 10.695 1.00 0.00 N ATOM 378 NH2 ARG A 27 4.703 -5.595 9.388 1.00 0.00 N ATOM 0 H ARG A 27 6.941 -2.891 15.678 1.00 0.00 H new ATOM 0 HA ARG A 27 8.957 -4.417 14.527 1.00 0.00 H new ATOM 0 HB2 ARG A 27 7.175 -5.687 13.563 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.601 -5.110 15.115 1.00 0.00 H new ATOM 0 HG2 ARG A 27 5.208 -3.449 14.105 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.993 -3.620 12.548 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.701 -6.059 13.736 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.650 -4.806 13.107 1.00 0.00 H new ATOM 0 HE ARG A 27 5.379 -6.599 11.561 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.619 -3.540 11.616 1.00 0.00 H new ATOM 0 HH12 ARG A 27 3.489 -3.450 9.856 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.207 -6.477 9.302 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.384 -5.106 8.552 1.00 0.00 H new ATOM 392 N HIS A 28 7.760 -2.100 12.556 1.00 0.00 N ATOM 393 CA HIS A 28 7.955 -1.418 11.281 1.00 0.00 C ATOM 394 C HIS A 28 9.325 -0.750 11.226 1.00 0.00 C ATOM 395 O HIS A 28 9.945 -0.670 10.166 1.00 0.00 O ATOM 396 CB HIS A 28 6.857 -0.376 11.063 1.00 0.00 C ATOM 397 CG HIS A 28 6.605 -0.065 9.620 1.00 0.00 C ATOM 398 ND1 HIS A 28 7.233 0.965 8.952 1.00 0.00 N ATOM 399 CD2 HIS A 28 5.789 -0.655 8.716 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.812 0.996 7.700 1.00 0.00 C ATOM 401 NE2 HIS A 28 5.936 0.022 7.531 1.00 0.00 N ATOM 0 H HIS A 28 7.121 -1.626 13.195 1.00 0.00 H new ATOM 0 HA HIS A 28 7.902 -2.163 10.487 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.932 -0.734 11.516 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.131 0.543 11.582 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.142 -1.501 8.894 1.00 0.00 H new ATOM 0 HE1 HIS A 28 7.130 1.698 6.944 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.448 -0.192 6.661 1.00 0.00 H new ATOM 409 N MET A 29 9.791 -0.271 12.375 1.00 0.00 N ATOM 410 CA MET A 29 11.088 0.390 12.457 1.00 0.00 C ATOM 411 C MET A 29 12.217 -0.586 12.141 1.00 0.00 C ATOM 412 O MET A 29 13.102 -0.287 11.339 1.00 0.00 O ATOM 413 CB MET A 29 11.292 0.990 13.850 1.00 0.00 C ATOM 414 CG MET A 29 10.654 2.359 14.022 1.00 0.00 C ATOM 415 SD MET A 29 11.774 3.705 13.593 1.00 0.00 S ATOM 416 CE MET A 29 13.127 3.394 14.725 1.00 0.00 C ATOM 0 H MET A 29 9.290 -0.328 13.262 1.00 0.00 H new ATOM 0 HA MET A 29 11.106 1.191 11.718 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.878 0.309 14.594 1.00 0.00 H new ATOM 0 HB3 MET A 29 12.361 1.069 14.050 1.00 0.00 H new ATOM 0 HG2 MET A 29 9.762 2.421 13.399 1.00 0.00 H new ATOM 0 HG3 MET A 29 10.329 2.477 15.056 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.414 4.325 15.214 1.00 0.00 H new ATOM 0 HE2 MET A 29 12.813 2.671 15.478 1.00 0.00 H new ATOM 0 HE3 MET A 29 13.979 2.997 14.173 1.00 0.00 H new ATOM 426 N SER A 30 12.179 -1.753 12.776 1.00 0.00 N ATOM 427 CA SER A 30 13.201 -2.771 12.564 1.00 0.00 C ATOM 428 C SER A 30 13.389 -3.052 11.076 1.00 0.00 C ATOM 429 O SER A 30 14.515 -3.167 10.593 1.00 0.00 O ATOM 430 CB SER A 30 12.825 -4.062 13.295 1.00 0.00 C ATOM 431 OG SER A 30 11.553 -4.530 12.880 1.00 0.00 O ATOM 0 H SER A 30 11.452 -2.017 13.441 1.00 0.00 H new ATOM 0 HA SER A 30 14.142 -2.395 12.966 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.578 -4.826 13.102 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.818 -3.886 14.371 1.00 0.00 H new ATOM 0 HG SER A 30 10.987 -3.768 12.636 1.00 0.00 H new ATOM 437 N MET A 31 12.277 -3.162 10.357 1.00 0.00 N ATOM 438 CA MET A 31 12.319 -3.428 8.923 1.00 0.00 C ATOM 439 C MET A 31 13.308 -2.499 8.226 1.00 0.00 C ATOM 440 O MET A 31 14.193 -2.952 7.499 1.00 0.00 O ATOM 441 CB MET A 31 10.926 -3.261 8.312 1.00 0.00 C ATOM 442 CG MET A 31 9.892 -4.215 8.885 1.00 0.00 C ATOM 443 SD MET A 31 8.528 -4.527 7.748 1.00 0.00 S ATOM 444 CE MET A 31 7.890 -2.869 7.523 1.00 0.00 C ATOM 0 H MET A 31 11.337 -3.071 10.743 1.00 0.00 H new ATOM 0 HA MET A 31 12.651 -4.456 8.778 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.590 -2.236 8.470 1.00 0.00 H new ATOM 0 HB3 MET A 31 10.990 -3.413 7.235 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.375 -5.160 9.135 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.498 -3.802 9.814 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.802 -2.902 7.468 1.00 0.00 H new ATOM 0 HE2 MET A 31 8.192 -2.246 8.365 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.287 -2.448 6.599 1.00 0.00 H new ATOM 454 N HIS A 32 13.153 -1.199 8.452 1.00 0.00 N ATOM 455 CA HIS A 32 14.033 -0.207 7.846 1.00 0.00 C ATOM 456 C HIS A 32 15.494 -0.629 7.969 1.00 0.00 C ATOM 457 O HIS A 32 16.267 -0.516 7.017 1.00 0.00 O ATOM 458 CB HIS A 32 13.827 1.159 8.502 1.00 0.00 C ATOM 459 CG HIS A 32 12.405 1.628 8.475 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.573 1.444 7.391 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.668 2.276 9.408 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.386 1.960 7.657 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.418 2.471 8.875 1.00 0.00 N ATOM 0 H HIS A 32 12.426 -0.808 9.051 1.00 0.00 H new ATOM 0 HA HIS A 32 13.782 -0.134 6.788 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.165 1.111 9.537 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.453 1.894 7.996 1.00 0.00 H new ATOM 0 HD2 HIS A 32 12.001 2.582 10.389 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.535 1.963 6.992 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.640 2.935 9.343 1.00 0.00 H new ATOM 582 N CYS A 40 25.880 -15.934 4.935 1.00 0.00 N ATOM 583 CA CYS A 40 26.236 -17.176 4.260 1.00 0.00 C ATOM 584 C CYS A 40 26.904 -16.892 2.917 1.00 0.00 C ATOM 585 O CYS A 40 26.245 -16.505 1.953 1.00 0.00 O ATOM 586 CB CYS A 40 24.992 -18.042 4.050 1.00 0.00 C ATOM 587 SG CYS A 40 25.281 -19.523 3.029 1.00 0.00 S ATOM 0 HA CYS A 40 26.943 -17.714 4.892 1.00 0.00 H new ATOM 0 HB2 CYS A 40 24.610 -18.353 5.023 1.00 0.00 H new ATOM 0 HB3 CYS A 40 24.216 -17.437 3.582 1.00 0.00 H new ATOM 0 HG CYS A 40 24.238 -20.297 3.083 1.00 0.00 H new ATOM 592 N GLY A 41 28.218 -17.088 2.863 1.00 0.00 N ATOM 593 CA GLY A 41 28.954 -16.849 1.635 1.00 0.00 C ATOM 594 C GLY A 41 28.874 -18.018 0.674 1.00 0.00 C ATOM 595 O GLY A 41 29.794 -18.251 -0.110 1.00 0.00 O ATOM 0 H GLY A 41 28.786 -17.408 3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 41 28.563 -15.955 1.149 1.00 0.00 H new ATOM 0 HA3 GLY A 41 29.999 -16.650 1.874 1.00 0.00 H new ATOM 599 N VAL A 42 27.771 -18.758 0.735 1.00 0.00 N ATOM 600 CA VAL A 42 27.574 -19.910 -0.136 1.00 0.00 C ATOM 601 C VAL A 42 26.349 -19.725 -1.024 1.00 0.00 C ATOM 602 O VAL A 42 26.378 -20.039 -2.215 1.00 0.00 O ATOM 603 CB VAL A 42 27.413 -21.208 0.678 1.00 0.00 C ATOM 604 CG1 VAL A 42 27.222 -22.399 -0.249 1.00 0.00 C ATOM 605 CG2 VAL A 42 28.614 -21.418 1.588 1.00 0.00 C ATOM 0 H VAL A 42 27.000 -18.580 1.379 1.00 0.00 H new ATOM 0 HA VAL A 42 28.463 -19.990 -0.761 1.00 0.00 H new ATOM 0 HB VAL A 42 26.524 -21.117 1.302 1.00 0.00 H new ATOM 0 HG11 VAL A 42 27.110 -23.307 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 42 26.329 -22.249 -0.855 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.090 -22.496 -0.901 1.00 0.00 H new ATOM 0 HG21 VAL A 42 28.484 -22.339 2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 42 29.519 -21.488 0.985 1.00 0.00 H new ATOM 0 HG23 VAL A 42 28.701 -20.577 2.276 1.00 0.00 H new ATOM 615 N CYS A 43 25.272 -19.213 -0.438 1.00 0.00 N ATOM 616 CA CYS A 43 24.035 -18.985 -1.175 1.00 0.00 C ATOM 617 C CYS A 43 23.690 -17.499 -1.212 1.00 0.00 C ATOM 618 O CYS A 43 23.182 -16.993 -2.213 1.00 0.00 O ATOM 619 CB CYS A 43 22.886 -19.770 -0.540 1.00 0.00 C ATOM 620 SG CYS A 43 22.267 -19.054 1.016 1.00 0.00 S ATOM 0 H CYS A 43 25.231 -18.948 0.546 1.00 0.00 H new ATOM 0 HA CYS A 43 24.182 -19.332 -2.198 1.00 0.00 H new ATOM 0 HB2 CYS A 43 22.063 -19.830 -1.253 1.00 0.00 H new ATOM 0 HB3 CYS A 43 23.218 -20.791 -0.351 1.00 0.00 H new ATOM 0 HG CYS A 43 23.199 -19.111 1.921 1.00 0.00 H new ATOM 625 N GLY A 44 23.970 -16.804 -0.114 1.00 0.00 N ATOM 626 CA GLY A 44 23.683 -15.383 -0.042 1.00 0.00 C ATOM 627 C GLY A 44 22.666 -15.051 1.032 1.00 0.00 C ATOM 628 O GLY A 44 21.893 -14.103 0.894 1.00 0.00 O ATOM 0 H GLY A 44 24.390 -17.199 0.727 1.00 0.00 H new ATOM 0 HA2 GLY A 44 24.606 -14.838 0.155 1.00 0.00 H new ATOM 0 HA3 GLY A 44 23.312 -15.041 -1.008 1.00 0.00 H new ATOM 632 N LYS A 45 22.665 -15.834 2.106 1.00 0.00 N ATOM 633 CA LYS A 45 21.735 -15.620 3.208 1.00 0.00 C ATOM 634 C LYS A 45 22.401 -14.839 4.337 1.00 0.00 C ATOM 635 O LYS A 45 23.581 -14.498 4.258 1.00 0.00 O ATOM 636 CB LYS A 45 21.220 -16.960 3.736 1.00 0.00 C ATOM 637 CG LYS A 45 19.942 -17.429 3.062 1.00 0.00 C ATOM 638 CD LYS A 45 19.093 -18.271 4.000 1.00 0.00 C ATOM 639 CE LYS A 45 17.654 -18.365 3.516 1.00 0.00 C ATOM 640 NZ LYS A 45 17.564 -18.975 2.160 1.00 0.00 N ATOM 0 H LYS A 45 23.298 -16.623 2.236 1.00 0.00 H new ATOM 0 HA LYS A 45 20.894 -15.037 2.833 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.992 -17.717 3.598 1.00 0.00 H new ATOM 0 HB3 LYS A 45 21.045 -16.875 4.809 1.00 0.00 H new ATOM 0 HG2 LYS A 45 19.368 -16.565 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 45 20.190 -18.010 2.174 1.00 0.00 H new ATOM 0 HD2 LYS A 45 19.518 -19.272 4.078 1.00 0.00 H new ATOM 0 HD3 LYS A 45 19.114 -17.837 5.000 1.00 0.00 H new ATOM 0 HE2 LYS A 45 17.072 -18.959 4.221 1.00 0.00 H new ATOM 0 HE3 LYS A 45 17.212 -17.369 3.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 16.566 -19.146 1.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 17.981 -18.329 1.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 18.082 -19.877 2.150 1.00 0.00 H new ATOM 654 N LYS A 46 21.637 -14.560 5.388 1.00 0.00 N ATOM 655 CA LYS A 46 22.152 -13.822 6.535 1.00 0.00 C ATOM 656 C LYS A 46 21.303 -14.082 7.775 1.00 0.00 C ATOM 657 O LYS A 46 20.113 -14.380 7.674 1.00 0.00 O ATOM 658 CB LYS A 46 22.184 -12.323 6.230 1.00 0.00 C ATOM 659 CG LYS A 46 23.040 -11.964 5.028 1.00 0.00 C ATOM 660 CD LYS A 46 23.144 -10.459 4.846 1.00 0.00 C ATOM 661 CE LYS A 46 23.779 -10.101 3.511 1.00 0.00 C ATOM 662 NZ LYS A 46 25.229 -10.441 3.478 1.00 0.00 N ATOM 0 H LYS A 46 20.658 -14.834 5.469 1.00 0.00 H new ATOM 0 HA LYS A 46 23.167 -14.168 6.732 1.00 0.00 H new ATOM 0 HB2 LYS A 46 21.166 -11.974 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.559 -11.791 7.104 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.037 -12.386 5.152 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.614 -12.411 4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.151 -10.015 4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.735 -10.033 5.657 1.00 0.00 H new ATOM 0 HE2 LYS A 46 23.263 -10.631 2.710 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.651 -9.035 3.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 25.625 -10.182 2.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 25.726 -9.916 4.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 25.350 -11.462 3.633 1.00 0.00 H new ATOM 676 N PHE A 47 21.922 -13.965 8.945 1.00 0.00 N ATOM 677 CA PHE A 47 21.223 -14.187 10.206 1.00 0.00 C ATOM 678 C PHE A 47 21.754 -13.258 11.293 1.00 0.00 C ATOM 679 O PHE A 47 22.932 -12.900 11.300 1.00 0.00 O ATOM 680 CB PHE A 47 21.373 -15.645 10.647 1.00 0.00 C ATOM 681 CG PHE A 47 21.004 -16.635 9.579 1.00 0.00 C ATOM 682 CD1 PHE A 47 21.807 -16.800 8.462 1.00 0.00 C ATOM 683 CD2 PHE A 47 19.855 -17.401 9.693 1.00 0.00 C ATOM 684 CE1 PHE A 47 21.470 -17.710 7.478 1.00 0.00 C ATOM 685 CE2 PHE A 47 19.513 -18.313 8.712 1.00 0.00 C ATOM 686 CZ PHE A 47 20.322 -18.468 7.604 1.00 0.00 C ATOM 0 H PHE A 47 22.906 -13.718 9.046 1.00 0.00 H new ATOM 0 HA PHE A 47 20.167 -13.969 10.050 1.00 0.00 H new ATOM 0 HB2 PHE A 47 22.405 -15.820 10.952 1.00 0.00 H new ATOM 0 HB3 PHE A 47 20.748 -15.818 11.523 1.00 0.00 H new ATOM 0 HD1 PHE A 47 22.706 -16.211 8.359 1.00 0.00 H new ATOM 0 HD2 PHE A 47 19.219 -17.284 10.558 1.00 0.00 H new ATOM 0 HE1 PHE A 47 22.104 -17.828 6.611 1.00 0.00 H new ATOM 0 HE2 PHE A 47 18.614 -18.903 8.812 1.00 0.00 H new ATOM 0 HZ PHE A 47 20.058 -19.181 6.837 1.00 0.00 H new ATOM 696 N LYS A 48 20.876 -12.870 12.212 1.00 0.00 N ATOM 697 CA LYS A 48 21.254 -11.983 13.306 1.00 0.00 C ATOM 698 C LYS A 48 22.126 -12.714 14.323 1.00 0.00 C ATOM 699 O LYS A 48 23.133 -12.181 14.787 1.00 0.00 O ATOM 700 CB LYS A 48 20.005 -11.428 13.994 1.00 0.00 C ATOM 701 CG LYS A 48 20.267 -10.173 14.810 1.00 0.00 C ATOM 702 CD LYS A 48 18.990 -9.638 15.434 1.00 0.00 C ATOM 703 CE LYS A 48 19.043 -8.127 15.604 1.00 0.00 C ATOM 704 NZ LYS A 48 18.591 -7.415 14.376 1.00 0.00 N ATOM 0 H LYS A 48 19.897 -13.156 12.221 1.00 0.00 H new ATOM 0 HA LYS A 48 21.829 -11.156 12.889 1.00 0.00 H new ATOM 0 HB2 LYS A 48 19.251 -11.209 13.238 1.00 0.00 H new ATOM 0 HB3 LYS A 48 19.589 -12.195 14.647 1.00 0.00 H new ATOM 0 HG2 LYS A 48 20.992 -10.392 15.594 1.00 0.00 H new ATOM 0 HG3 LYS A 48 20.709 -9.408 14.171 1.00 0.00 H new ATOM 0 HD2 LYS A 48 18.138 -9.905 14.808 1.00 0.00 H new ATOM 0 HD3 LYS A 48 18.833 -10.109 16.404 1.00 0.00 H new ATOM 0 HE2 LYS A 48 18.415 -7.834 16.446 1.00 0.00 H new ATOM 0 HE3 LYS A 48 20.062 -7.824 15.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 18.642 -6.388 14.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 19.205 -7.675 13.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 17.610 -7.684 14.160 1.00 0.00 H new ATOM 718 N MET A 49 21.732 -13.937 14.662 1.00 0.00 N ATOM 719 CA MET A 49 22.480 -14.741 15.622 1.00 0.00 C ATOM 720 C MET A 49 23.443 -15.683 14.908 1.00 0.00 C ATOM 721 O MET A 49 23.284 -15.968 13.720 1.00 0.00 O ATOM 722 CB MET A 49 21.521 -15.544 16.503 1.00 0.00 C ATOM 723 CG MET A 49 20.517 -14.683 17.251 1.00 0.00 C ATOM 724 SD MET A 49 19.985 -15.427 18.805 1.00 0.00 S ATOM 725 CE MET A 49 19.032 -14.086 19.514 1.00 0.00 C ATOM 0 H MET A 49 20.900 -14.393 14.287 1.00 0.00 H new ATOM 0 HA MET A 49 23.060 -14.066 16.251 1.00 0.00 H new ATOM 0 HB2 MET A 49 20.982 -16.259 15.881 1.00 0.00 H new ATOM 0 HB3 MET A 49 22.100 -16.121 17.224 1.00 0.00 H new ATOM 0 HG2 MET A 49 20.960 -13.708 17.453 1.00 0.00 H new ATOM 0 HG3 MET A 49 19.647 -14.513 16.617 1.00 0.00 H new ATOM 0 HE1 MET A 49 18.635 -14.394 20.481 1.00 0.00 H new ATOM 0 HE2 MET A 49 19.673 -13.214 19.645 1.00 0.00 H new ATOM 0 HE3 MET A 49 18.208 -13.833 18.847 1.00 0.00 H new ATOM 735 N LYS A 50 24.443 -16.165 15.638 1.00 0.00 N ATOM 736 CA LYS A 50 25.432 -17.076 15.075 1.00 0.00 C ATOM 737 C LYS A 50 24.817 -18.444 14.799 1.00 0.00 C ATOM 738 O LYS A 50 24.968 -18.995 13.708 1.00 0.00 O ATOM 739 CB LYS A 50 26.621 -17.224 16.028 1.00 0.00 C ATOM 740 CG LYS A 50 26.257 -17.855 17.361 1.00 0.00 C ATOM 741 CD LYS A 50 27.478 -18.026 18.249 1.00 0.00 C ATOM 742 CE LYS A 50 27.198 -18.973 19.406 1.00 0.00 C ATOM 743 NZ LYS A 50 26.704 -18.248 20.609 1.00 0.00 N ATOM 0 H LYS A 50 24.590 -15.940 16.622 1.00 0.00 H new ATOM 0 HA LYS A 50 25.780 -16.656 14.131 1.00 0.00 H new ATOM 0 HB2 LYS A 50 27.389 -17.830 15.546 1.00 0.00 H new ATOM 0 HB3 LYS A 50 27.057 -16.241 16.208 1.00 0.00 H new ATOM 0 HG2 LYS A 50 25.520 -17.233 17.870 1.00 0.00 H new ATOM 0 HG3 LYS A 50 25.792 -18.826 17.190 1.00 0.00 H new ATOM 0 HD2 LYS A 50 28.309 -18.409 17.657 1.00 0.00 H new ATOM 0 HD3 LYS A 50 27.785 -17.055 18.638 1.00 0.00 H new ATOM 0 HE2 LYS A 50 26.459 -19.713 19.099 1.00 0.00 H new ATOM 0 HE3 LYS A 50 28.108 -19.517 19.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 26.525 -18.928 21.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 27.420 -17.559 20.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 25.822 -17.749 20.376 1.00 0.00 H new ATOM 757 N HIS A 51 24.121 -18.987 15.793 1.00 0.00 N ATOM 758 CA HIS A 51 23.480 -20.290 15.655 1.00 0.00 C ATOM 759 C HIS A 51 22.406 -20.256 14.572 1.00 0.00 C ATOM 760 O HIS A 51 22.167 -21.251 13.888 1.00 0.00 O ATOM 761 CB HIS A 51 22.865 -20.723 16.986 1.00 0.00 C ATOM 762 CG HIS A 51 22.187 -19.609 17.723 1.00 0.00 C ATOM 763 ND1 HIS A 51 22.876 -18.645 18.428 1.00 0.00 N ATOM 764 CD2 HIS A 51 20.875 -19.309 17.861 1.00 0.00 C ATOM 765 CE1 HIS A 51 22.016 -17.800 18.969 1.00 0.00 C ATOM 766 NE2 HIS A 51 20.795 -18.180 18.639 1.00 0.00 N ATOM 0 H HIS A 51 23.987 -18.545 16.702 1.00 0.00 H new ATOM 0 HA HIS A 51 24.242 -21.013 15.363 1.00 0.00 H new ATOM 0 HB2 HIS A 51 22.143 -21.518 16.801 1.00 0.00 H new ATOM 0 HB3 HIS A 51 23.647 -21.143 17.619 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.045 -19.856 17.438 1.00 0.00 H new ATOM 0 HE1 HIS A 51 22.269 -16.944 19.577 1.00 0.00 H new ATOM 0 HE2 HIS A 51 19.933 -17.711 18.917 1.00 0.00 H new ATOM 774 N HIS A 52 21.760 -19.104 14.422 1.00 0.00 N ATOM 775 CA HIS A 52 20.711 -18.940 13.423 1.00 0.00 C ATOM 776 C HIS A 52 21.246 -19.220 12.022 1.00 0.00 C ATOM 777 O HIS A 52 20.493 -19.588 11.120 1.00 0.00 O ATOM 778 CB HIS A 52 20.133 -17.526 13.487 1.00 0.00 C ATOM 779 CG HIS A 52 19.013 -17.380 14.471 1.00 0.00 C ATOM 780 ND1 HIS A 52 18.646 -16.170 15.021 1.00 0.00 N ATOM 781 CD2 HIS A 52 18.175 -18.302 15.001 1.00 0.00 C ATOM 782 CE1 HIS A 52 17.634 -16.354 15.849 1.00 0.00 C ATOM 783 NE2 HIS A 52 17.328 -17.639 15.855 1.00 0.00 N ATOM 0 H HIS A 52 21.945 -18.270 14.980 1.00 0.00 H new ATOM 0 HA HIS A 52 19.921 -19.658 13.641 1.00 0.00 H new ATOM 0 HB2 HIS A 52 20.929 -16.829 13.749 1.00 0.00 H new ATOM 0 HB3 HIS A 52 19.775 -17.244 12.497 1.00 0.00 H new ATOM 0 HD2 HIS A 52 18.173 -19.361 14.791 1.00 0.00 H new ATOM 0 HE1 HIS A 52 17.140 -15.584 16.424 1.00 0.00 H new ATOM 0 HE2 HIS A 52 16.584 -18.069 16.404 1.00 0.00 H new ATOM 791 N LEU A 53 22.551 -19.043 11.847 1.00 0.00 N ATOM 792 CA LEU A 53 23.188 -19.277 10.555 1.00 0.00 C ATOM 793 C LEU A 53 23.618 -20.733 10.415 1.00 0.00 C ATOM 794 O LEU A 53 23.503 -21.325 9.342 1.00 0.00 O ATOM 795 CB LEU A 53 24.399 -18.357 10.388 1.00 0.00 C ATOM 796 CG LEU A 53 25.312 -18.659 9.199 1.00 0.00 C ATOM 797 CD1 LEU A 53 24.614 -18.324 7.891 1.00 0.00 C ATOM 798 CD2 LEU A 53 26.619 -17.889 9.322 1.00 0.00 C ATOM 0 H LEU A 53 23.189 -18.738 12.583 1.00 0.00 H new ATOM 0 HA LEU A 53 22.461 -19.056 9.774 1.00 0.00 H new ATOM 0 HB2 LEU A 53 24.041 -17.332 10.294 1.00 0.00 H new ATOM 0 HB3 LEU A 53 24.995 -18.405 11.299 1.00 0.00 H new ATOM 0 HG LEU A 53 25.540 -19.725 9.202 1.00 0.00 H new ATOM 0 HD11 LEU A 53 25.279 -18.546 7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 53 23.706 -18.921 7.800 1.00 0.00 H new ATOM 0 HD13 LEU A 53 24.355 -17.265 7.877 1.00 0.00 H new ATOM 0 HD21 LEU A 53 27.257 -18.116 8.468 1.00 0.00 H new ATOM 0 HD22 LEU A 53 26.410 -16.819 9.345 1.00 0.00 H new ATOM 0 HD23 LEU A 53 27.127 -18.180 10.241 1.00 0.00 H new ATOM 810 N VAL A 54 24.113 -21.306 11.508 1.00 0.00 N ATOM 811 CA VAL A 54 24.557 -22.695 11.509 1.00 0.00 C ATOM 812 C VAL A 54 23.456 -23.625 11.012 1.00 0.00 C ATOM 813 O VAL A 54 23.629 -24.338 10.024 1.00 0.00 O ATOM 814 CB VAL A 54 24.996 -23.143 12.915 1.00 0.00 C ATOM 815 CG1 VAL A 54 25.050 -24.661 13.000 1.00 0.00 C ATOM 816 CG2 VAL A 54 26.344 -22.534 13.272 1.00 0.00 C ATOM 0 H VAL A 54 24.217 -20.830 12.404 1.00 0.00 H new ATOM 0 HA VAL A 54 25.411 -22.754 10.834 1.00 0.00 H new ATOM 0 HB VAL A 54 24.260 -22.788 13.636 1.00 0.00 H new ATOM 0 HG11 VAL A 54 25.362 -24.958 14.001 1.00 0.00 H new ATOM 0 HG12 VAL A 54 24.063 -25.072 12.791 1.00 0.00 H new ATOM 0 HG13 VAL A 54 25.764 -25.041 12.269 1.00 0.00 H new ATOM 0 HG21 VAL A 54 26.639 -22.861 14.269 1.00 0.00 H new ATOM 0 HG22 VAL A 54 27.092 -22.857 12.548 1.00 0.00 H new ATOM 0 HG23 VAL A 54 26.268 -21.447 13.255 1.00 0.00 H new ATOM 826 N GLY A 55 22.320 -23.611 11.704 1.00 0.00 N ATOM 827 CA GLY A 55 21.206 -24.457 11.317 1.00 0.00 C ATOM 828 C GLY A 55 20.926 -24.403 9.829 1.00 0.00 C ATOM 829 O GLY A 55 20.276 -25.293 9.279 1.00 0.00 O ATOM 0 H GLY A 55 22.152 -23.029 12.525 1.00 0.00 H new ATOM 0 HA2 GLY A 55 21.418 -25.486 11.606 1.00 0.00 H new ATOM 0 HA3 GLY A 55 20.314 -24.150 11.863 1.00 0.00 H new ATOM 833 N HIS A 56 21.415 -23.355 9.174 1.00 0.00 N ATOM 834 CA HIS A 56 21.212 -23.187 7.739 1.00 0.00 C ATOM 835 C HIS A 56 22.456 -23.609 6.962 1.00 0.00 C ATOM 836 O HIS A 56 22.356 -24.181 5.877 1.00 0.00 O ATOM 837 CB HIS A 56 20.865 -21.733 7.418 1.00 0.00 C ATOM 838 CG HIS A 56 21.223 -21.326 6.022 1.00 0.00 C ATOM 839 ND1 HIS A 56 20.411 -21.570 4.935 1.00 0.00 N ATOM 840 CD2 HIS A 56 22.314 -20.685 5.539 1.00 0.00 C ATOM 841 CE1 HIS A 56 20.987 -21.099 3.843 1.00 0.00 C ATOM 842 NE2 HIS A 56 22.143 -20.557 4.183 1.00 0.00 N ATOM 0 H HIS A 56 21.955 -22.609 9.614 1.00 0.00 H new ATOM 0 HA HIS A 56 20.382 -23.826 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 56 19.796 -21.581 7.569 1.00 0.00 H new ATOM 0 HB3 HIS A 56 21.382 -21.081 8.122 1.00 0.00 H new ATOM 0 HD1 HIS A 56 19.507 -22.041 4.968 1.00 0.00 H new ATOM 0 HD2 HIS A 56 23.161 -20.339 6.114 1.00 0.00 H new ATOM 0 HE1 HIS A 56 20.582 -21.149 2.843 1.00 0.00 H new ATOM 850 N MET A 57 23.625 -23.323 7.525 1.00 0.00 N ATOM 851 CA MET A 57 24.887 -23.673 6.884 1.00 0.00 C ATOM 852 C MET A 57 24.973 -25.176 6.637 1.00 0.00 C ATOM 853 O MET A 57 25.650 -25.627 5.713 1.00 0.00 O ATOM 854 CB MET A 57 26.066 -23.219 7.747 1.00 0.00 C ATOM 855 CG MET A 57 26.138 -21.711 7.932 1.00 0.00 C ATOM 856 SD MET A 57 27.200 -20.912 6.714 1.00 0.00 S ATOM 857 CE MET A 57 26.484 -21.521 5.189 1.00 0.00 C ATOM 0 H MET A 57 23.725 -22.850 8.423 1.00 0.00 H new ATOM 0 HA MET A 57 24.931 -23.161 5.923 1.00 0.00 H new ATOM 0 HB2 MET A 57 25.994 -23.694 8.725 1.00 0.00 H new ATOM 0 HB3 MET A 57 26.994 -23.566 7.292 1.00 0.00 H new ATOM 0 HG2 MET A 57 25.134 -21.292 7.863 1.00 0.00 H new ATOM 0 HG3 MET A 57 26.508 -21.489 8.933 1.00 0.00 H new ATOM 0 HE1 MET A 57 26.976 -21.045 4.341 1.00 0.00 H new ATOM 0 HE2 MET A 57 26.620 -22.601 5.129 1.00 0.00 H new ATOM 0 HE3 MET A 57 25.419 -21.288 5.168 1.00 0.00 H new ATOM 867 N LYS A 58 24.281 -25.948 7.469 1.00 0.00 N ATOM 868 CA LYS A 58 24.278 -27.400 7.341 1.00 0.00 C ATOM 869 C LYS A 58 23.823 -27.823 5.948 1.00 0.00 C ATOM 870 O LYS A 58 24.186 -28.896 5.465 1.00 0.00 O ATOM 871 CB LYS A 58 23.364 -28.024 8.399 1.00 0.00 C ATOM 872 CG LYS A 58 23.837 -27.792 9.824 1.00 0.00 C ATOM 873 CD LYS A 58 22.671 -27.743 10.797 1.00 0.00 C ATOM 874 CE LYS A 58 22.003 -29.103 10.935 1.00 0.00 C ATOM 875 NZ LYS A 58 21.410 -29.294 12.288 1.00 0.00 N ATOM 0 H LYS A 58 23.715 -25.592 8.239 1.00 0.00 H new ATOM 0 HA LYS A 58 25.297 -27.755 7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 58 22.360 -27.615 8.287 1.00 0.00 H new ATOM 0 HB3 LYS A 58 23.293 -29.097 8.219 1.00 0.00 H new ATOM 0 HG2 LYS A 58 24.522 -28.588 10.115 1.00 0.00 H new ATOM 0 HG3 LYS A 58 24.395 -26.857 9.876 1.00 0.00 H new ATOM 0 HD2 LYS A 58 23.024 -27.409 11.773 1.00 0.00 H new ATOM 0 HD3 LYS A 58 21.940 -27.010 10.454 1.00 0.00 H new ATOM 0 HE2 LYS A 58 21.224 -29.203 10.179 1.00 0.00 H new ATOM 0 HE3 LYS A 58 22.735 -29.888 10.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 20.964 -30.232 12.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 22.157 -29.223 13.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 20.694 -28.560 12.460 1.00 0.00 H new ATOM 889 N ILE A 59 23.027 -26.973 5.307 1.00 0.00 N ATOM 890 CA ILE A 59 22.526 -27.258 3.969 1.00 0.00 C ATOM 891 C ILE A 59 23.641 -27.167 2.933 1.00 0.00 C ATOM 892 O ILE A 59 23.506 -27.665 1.814 1.00 0.00 O ATOM 893 CB ILE A 59 21.393 -26.291 3.574 1.00 0.00 C ATOM 894 CG1 ILE A 59 21.975 -24.986 3.027 1.00 0.00 C ATOM 895 CG2 ILE A 59 20.492 -26.016 4.768 1.00 0.00 C ATOM 896 CD1 ILE A 59 20.928 -23.935 2.731 1.00 0.00 C ATOM 0 H ILE A 59 22.716 -26.082 5.693 1.00 0.00 H new ATOM 0 HA ILE A 59 22.134 -28.275 3.989 1.00 0.00 H new ATOM 0 HB ILE A 59 20.794 -26.756 2.791 1.00 0.00 H new ATOM 0 HG12 ILE A 59 22.687 -24.585 3.748 1.00 0.00 H new ATOM 0 HG13 ILE A 59 22.531 -25.200 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 59 19.697 -25.331 4.474 1.00 0.00 H new ATOM 0 HG22 ILE A 59 20.055 -26.952 5.117 1.00 0.00 H new ATOM 0 HG23 ILE A 59 21.078 -25.568 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 59 21.412 -23.037 2.347 1.00 0.00 H new ATOM 0 HD12 ILE A 59 20.229 -24.317 1.987 1.00 0.00 H new ATOM 0 HD13 ILE A 59 20.387 -23.692 3.646 1.00 0.00 H new ATOM 908 N HIS A 60 24.743 -26.529 3.312 1.00 0.00 N ATOM 909 CA HIS A 60 25.884 -26.375 2.417 1.00 0.00 C ATOM 910 C HIS A 60 27.052 -27.247 2.869 1.00 0.00 C ATOM 911 O HIS A 60 28.170 -27.114 2.370 1.00 0.00 O ATOM 912 CB HIS A 60 26.319 -24.910 2.358 1.00 0.00 C ATOM 913 CG HIS A 60 25.235 -23.981 1.906 1.00 0.00 C ATOM 914 ND1 HIS A 60 24.534 -24.158 0.732 1.00 0.00 N ATOM 915 CD2 HIS A 60 24.732 -22.863 2.479 1.00 0.00 C ATOM 916 CE1 HIS A 60 23.647 -23.187 0.601 1.00 0.00 C ATOM 917 NE2 HIS A 60 23.746 -22.388 1.648 1.00 0.00 N ATOM 0 H HIS A 60 24.870 -26.110 4.233 1.00 0.00 H new ATOM 0 HA HIS A 60 25.578 -26.696 1.421 1.00 0.00 H new ATOM 0 HB2 HIS A 60 26.662 -24.601 3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 60 27.169 -24.819 1.682 1.00 0.00 H new ATOM 0 HD2 HIS A 60 25.047 -22.426 3.415 1.00 0.00 H new ATOM 0 HE1 HIS A 60 22.958 -23.067 -0.222 1.00 0.00 H new ATOM 0 HE2 HIS A 60 23.182 -21.554 1.813 1.00 0.00 H new ATOM 1001 N TYR A 66 19.645 -37.334 -2.036 1.00 0.00 N ATOM 1002 CA TYR A 66 18.327 -37.109 -2.618 1.00 0.00 C ATOM 1003 C TYR A 66 18.256 -35.743 -3.293 1.00 0.00 C ATOM 1004 O TYR A 66 19.060 -34.856 -3.009 1.00 0.00 O ATOM 1005 CB TYR A 66 17.246 -37.216 -1.541 1.00 0.00 C ATOM 1006 CG TYR A 66 17.351 -38.467 -0.699 1.00 0.00 C ATOM 1007 CD1 TYR A 66 16.843 -39.678 -1.152 1.00 0.00 C ATOM 1008 CD2 TYR A 66 17.959 -38.438 0.550 1.00 0.00 C ATOM 1009 CE1 TYR A 66 16.936 -40.824 -0.386 1.00 0.00 C ATOM 1010 CE2 TYR A 66 18.058 -39.579 1.323 1.00 0.00 C ATOM 1011 CZ TYR A 66 17.544 -40.769 0.851 1.00 0.00 C ATOM 1012 OH TYR A 66 17.640 -41.908 1.617 1.00 0.00 O ATOM 0 HA TYR A 66 18.155 -37.876 -3.373 1.00 0.00 H new ATOM 0 HB2 TYR A 66 17.306 -36.344 -0.890 1.00 0.00 H new ATOM 0 HB3 TYR A 66 16.266 -37.190 -2.018 1.00 0.00 H new ATOM 0 HD1 TYR A 66 16.367 -39.724 -2.120 1.00 0.00 H new ATOM 0 HD2 TYR A 66 18.361 -37.508 0.923 1.00 0.00 H new ATOM 0 HE1 TYR A 66 16.535 -41.757 -0.753 1.00 0.00 H new ATOM 0 HE2 TYR A 66 18.535 -39.539 2.291 1.00 0.00 H new ATOM 0 HH TYR A 66 18.096 -41.699 2.459 1.00 0.00 H new ATOM 1022 N GLU A 67 17.286 -35.583 -4.188 1.00 0.00 N ATOM 1023 CA GLU A 67 17.109 -34.325 -4.904 1.00 0.00 C ATOM 1024 C GLU A 67 15.818 -34.339 -5.718 1.00 0.00 C ATOM 1025 O GLU A 67 15.453 -35.357 -6.307 1.00 0.00 O ATOM 1026 CB GLU A 67 18.302 -34.064 -5.825 1.00 0.00 C ATOM 1027 CG GLU A 67 18.099 -32.890 -6.768 1.00 0.00 C ATOM 1028 CD GLU A 67 18.853 -33.053 -8.073 1.00 0.00 C ATOM 1029 OE1 GLU A 67 20.075 -33.303 -8.027 1.00 0.00 O ATOM 1030 OE2 GLU A 67 18.219 -32.930 -9.143 1.00 0.00 O ATOM 0 H GLU A 67 16.612 -36.308 -4.434 1.00 0.00 H new ATOM 0 HA GLU A 67 17.046 -33.524 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 67 19.187 -33.881 -5.216 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.500 -34.961 -6.412 1.00 0.00 H new ATOM 0 HG2 GLU A 67 17.035 -32.778 -6.979 1.00 0.00 H new ATOM 0 HG3 GLU A 67 18.425 -31.973 -6.276 1.00 0.00 H new ATOM 1037 N CYS A 68 15.130 -33.202 -5.746 1.00 0.00 N ATOM 1038 CA CYS A 68 13.880 -33.082 -6.485 1.00 0.00 C ATOM 1039 C CYS A 68 14.139 -33.030 -7.988 1.00 0.00 C ATOM 1040 O CYS A 68 15.286 -32.952 -8.428 1.00 0.00 O ATOM 1041 CB CYS A 68 13.120 -31.829 -6.044 1.00 0.00 C ATOM 1042 SG CYS A 68 11.313 -31.949 -6.237 1.00 0.00 S ATOM 0 H CYS A 68 15.418 -32.350 -5.265 1.00 0.00 H new ATOM 0 HA CYS A 68 13.274 -33.962 -6.269 1.00 0.00 H new ATOM 0 HB2 CYS A 68 13.350 -31.627 -4.998 1.00 0.00 H new ATOM 0 HB3 CYS A 68 13.480 -30.977 -6.620 1.00 0.00 H new ATOM 0 HG CYS A 68 10.775 -30.785 -6.022 1.00 0.00 H new ATOM 1047 N ASN A 69 13.066 -33.075 -8.770 1.00 0.00 N ATOM 1048 CA ASN A 69 13.177 -33.033 -10.224 1.00 0.00 C ATOM 1049 C ASN A 69 12.681 -31.697 -10.769 1.00 0.00 C ATOM 1050 O ASN A 69 13.286 -31.122 -11.675 1.00 0.00 O ATOM 1051 CB ASN A 69 12.381 -34.180 -10.850 1.00 0.00 C ATOM 1052 CG ASN A 69 12.020 -33.909 -12.298 1.00 0.00 C ATOM 1053 OD1 ASN A 69 12.848 -34.065 -13.196 1.00 0.00 O ATOM 1054 ND2 ASN A 69 10.777 -33.502 -12.531 1.00 0.00 N ATOM 0 H ASN A 69 12.110 -33.141 -8.422 1.00 0.00 H new ATOM 0 HA ASN A 69 14.229 -33.144 -10.487 1.00 0.00 H new ATOM 0 HB2 ASN A 69 12.964 -35.099 -10.789 1.00 0.00 H new ATOM 0 HB3 ASN A 69 11.469 -34.342 -10.275 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.475 -33.305 -13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 69 10.124 -33.386 -11.756 1.00 0.00 H new ATOM 1061 N ILE A 70 11.578 -31.210 -10.212 1.00 0.00 N ATOM 1062 CA ILE A 70 11.002 -29.941 -10.641 1.00 0.00 C ATOM 1063 C ILE A 70 11.888 -28.769 -10.233 1.00 0.00 C ATOM 1064 O ILE A 70 12.441 -28.069 -11.082 1.00 0.00 O ATOM 1065 CB ILE A 70 9.594 -29.735 -10.053 1.00 0.00 C ATOM 1066 CG1 ILE A 70 8.608 -30.727 -10.673 1.00 0.00 C ATOM 1067 CG2 ILE A 70 9.129 -28.304 -10.281 1.00 0.00 C ATOM 1068 CD1 ILE A 70 8.524 -32.041 -9.929 1.00 0.00 C ATOM 0 H ILE A 70 11.065 -31.674 -9.463 1.00 0.00 H new ATOM 0 HA ILE A 70 10.931 -29.978 -11.728 1.00 0.00 H new ATOM 0 HB ILE A 70 9.635 -29.916 -8.979 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.618 -30.272 -10.703 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.901 -30.921 -11.705 1.00 0.00 H new ATOM 0 HG21 ILE A 70 8.132 -28.174 -9.860 1.00 0.00 H new ATOM 0 HG22 ILE A 70 9.821 -27.615 -9.796 1.00 0.00 H new ATOM 0 HG23 ILE A 70 9.101 -28.097 -11.351 1.00 0.00 H new ATOM 0 HD11 ILE A 70 7.806 -32.695 -10.425 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.504 -32.518 -9.921 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.201 -31.859 -8.904 1.00 0.00 H new ATOM 1080 N CYS A 71 12.020 -28.561 -8.927 1.00 0.00 N ATOM 1081 CA CYS A 71 12.840 -27.475 -8.404 1.00 0.00 C ATOM 1082 C CYS A 71 14.299 -27.906 -8.279 1.00 0.00 C ATOM 1083 O CYS A 71 15.176 -27.090 -8.001 1.00 0.00 O ATOM 1084 CB CYS A 71 12.313 -27.020 -7.042 1.00 0.00 C ATOM 1085 SG CYS A 71 11.994 -28.382 -5.875 1.00 0.00 S ATOM 0 H CYS A 71 11.569 -29.131 -8.211 1.00 0.00 H new ATOM 0 HA CYS A 71 12.784 -26.642 -9.104 1.00 0.00 H new ATOM 0 HB2 CYS A 71 13.034 -26.335 -6.596 1.00 0.00 H new ATOM 0 HB3 CYS A 71 11.390 -26.459 -7.190 1.00 0.00 H new ATOM 0 HG CYS A 71 10.734 -28.699 -5.912 1.00 0.00 H new ATOM 1090 N ALA A 72 14.549 -29.195 -8.487 1.00 0.00 N ATOM 1091 CA ALA A 72 15.900 -29.734 -8.400 1.00 0.00 C ATOM 1092 C ALA A 72 16.497 -29.500 -7.016 1.00 0.00 C ATOM 1093 O ALA A 72 17.715 -29.422 -6.859 1.00 0.00 O ATOM 1094 CB ALA A 72 16.786 -29.114 -9.470 1.00 0.00 C ATOM 0 H ALA A 72 13.833 -29.885 -8.717 1.00 0.00 H new ATOM 0 HA ALA A 72 15.846 -30.810 -8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 72 17.792 -29.526 -9.393 1.00 0.00 H new ATOM 0 HB2 ALA A 72 16.377 -29.337 -10.455 1.00 0.00 H new ATOM 0 HB3 ALA A 72 16.825 -28.034 -9.329 1.00 0.00 H new ATOM 1100 N LYS A 73 15.630 -29.388 -6.015 1.00 0.00 N ATOM 1101 CA LYS A 73 16.071 -29.164 -4.643 1.00 0.00 C ATOM 1102 C LYS A 73 16.880 -30.350 -4.130 1.00 0.00 C ATOM 1103 O LYS A 73 16.898 -31.415 -4.748 1.00 0.00 O ATOM 1104 CB LYS A 73 14.865 -28.923 -3.731 1.00 0.00 C ATOM 1105 CG LYS A 73 14.467 -27.461 -3.623 1.00 0.00 C ATOM 1106 CD LYS A 73 13.678 -27.191 -2.353 1.00 0.00 C ATOM 1107 CE LYS A 73 14.596 -26.881 -1.181 1.00 0.00 C ATOM 1108 NZ LYS A 73 13.829 -26.555 0.053 1.00 0.00 N ATOM 0 H LYS A 73 14.618 -29.449 -6.128 1.00 0.00 H new ATOM 0 HA LYS A 73 16.709 -28.281 -4.633 1.00 0.00 H new ATOM 0 HB2 LYS A 73 14.016 -29.495 -4.106 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.091 -29.304 -2.735 1.00 0.00 H new ATOM 0 HG2 LYS A 73 15.361 -26.838 -3.637 1.00 0.00 H new ATOM 0 HG3 LYS A 73 13.869 -27.180 -4.490 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.999 -26.354 -2.516 1.00 0.00 H new ATOM 0 HD3 LYS A 73 13.062 -28.058 -2.115 1.00 0.00 H new ATOM 0 HE2 LYS A 73 15.244 -27.737 -0.991 1.00 0.00 H new ATOM 0 HE3 LYS A 73 15.243 -26.043 -1.438 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.490 -26.350 0.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.230 -25.723 -0.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.230 -27.364 0.314 1.00 0.00 H new ATOM 1122 N ARG A 74 17.546 -30.160 -2.996 1.00 0.00 N ATOM 1123 CA ARG A 74 18.357 -31.216 -2.400 1.00 0.00 C ATOM 1124 C ARG A 74 17.947 -31.464 -0.951 1.00 0.00 C ATOM 1125 O ARG A 74 17.665 -30.525 -0.205 1.00 0.00 O ATOM 1126 CB ARG A 74 19.840 -30.847 -2.465 1.00 0.00 C ATOM 1127 CG ARG A 74 20.323 -30.511 -3.867 1.00 0.00 C ATOM 1128 CD ARG A 74 21.812 -30.204 -3.884 1.00 0.00 C ATOM 1129 NE ARG A 74 22.621 -31.418 -3.824 1.00 0.00 N ATOM 1130 CZ ARG A 74 23.906 -31.463 -4.160 1.00 0.00 C ATOM 1131 NH1 ARG A 74 24.523 -30.367 -4.578 1.00 0.00 N ATOM 1132 NH2 ARG A 74 24.575 -32.606 -4.079 1.00 0.00 N ATOM 0 H ARG A 74 17.540 -29.285 -2.471 1.00 0.00 H new ATOM 0 HA ARG A 74 18.192 -32.131 -2.968 1.00 0.00 H new ATOM 0 HB2 ARG A 74 20.022 -29.993 -1.813 1.00 0.00 H new ATOM 0 HB3 ARG A 74 20.430 -31.677 -2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 74 20.115 -31.347 -4.535 1.00 0.00 H new ATOM 0 HG3 ARG A 74 19.769 -29.653 -4.248 1.00 0.00 H new ATOM 0 HD2 ARG A 74 22.058 -29.649 -4.789 1.00 0.00 H new ATOM 0 HD3 ARG A 74 22.059 -29.561 -3.039 1.00 0.00 H new ATOM 0 HE ARG A 74 22.175 -32.279 -3.507 1.00 0.00 H new ATOM 0 HH11 ARG A 74 24.012 -29.487 -4.642 1.00 0.00 H new ATOM 0 HH12 ARG A 74 25.509 -30.404 -4.835 1.00 0.00 H new ATOM 0 HH21 ARG A 74 24.103 -33.452 -3.759 1.00 0.00 H new ATOM 0 HH22 ARG A 74 25.561 -32.639 -4.337 1.00 0.00 H new ATOM 1146 N PHE A 75 17.915 -32.733 -0.559 1.00 0.00 N ATOM 1147 CA PHE A 75 17.538 -33.105 0.799 1.00 0.00 C ATOM 1148 C PHE A 75 18.421 -34.236 1.319 1.00 0.00 C ATOM 1149 O PHE A 75 18.705 -35.195 0.602 1.00 0.00 O ATOM 1150 CB PHE A 75 16.068 -33.528 0.846 1.00 0.00 C ATOM 1151 CG PHE A 75 15.123 -32.465 0.365 1.00 0.00 C ATOM 1152 CD1 PHE A 75 14.800 -32.363 -0.979 1.00 0.00 C ATOM 1153 CD2 PHE A 75 14.558 -31.567 1.256 1.00 0.00 C ATOM 1154 CE1 PHE A 75 13.930 -31.385 -1.424 1.00 0.00 C ATOM 1155 CE2 PHE A 75 13.687 -30.589 0.816 1.00 0.00 C ATOM 1156 CZ PHE A 75 13.373 -30.497 -0.526 1.00 0.00 C ATOM 0 H PHE A 75 18.146 -33.522 -1.163 1.00 0.00 H new ATOM 0 HA PHE A 75 17.679 -32.234 1.439 1.00 0.00 H new ATOM 0 HB2 PHE A 75 15.936 -34.423 0.237 1.00 0.00 H new ATOM 0 HB3 PHE A 75 15.808 -33.798 1.870 1.00 0.00 H new ATOM 0 HD1 PHE A 75 15.233 -33.055 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 75 14.801 -31.632 2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 75 13.686 -31.316 -2.474 1.00 0.00 H new ATOM 0 HE2 PHE A 75 13.252 -29.896 1.521 1.00 0.00 H new ATOM 0 HZ PHE A 75 12.693 -29.732 -0.872 1.00 0.00 H new ATOM 1166 N MET A 76 18.853 -34.115 2.570 1.00 0.00 N ATOM 1167 CA MET A 76 19.703 -35.126 3.186 1.00 0.00 C ATOM 1168 C MET A 76 18.869 -36.288 3.716 1.00 0.00 C ATOM 1169 O MET A 76 19.226 -37.453 3.539 1.00 0.00 O ATOM 1170 CB MET A 76 20.523 -34.511 4.321 1.00 0.00 C ATOM 1171 CG MET A 76 21.181 -35.543 5.223 1.00 0.00 C ATOM 1172 SD MET A 76 22.231 -34.794 6.484 1.00 0.00 S ATOM 1173 CE MET A 76 21.092 -34.702 7.862 1.00 0.00 C ATOM 0 H MET A 76 18.628 -33.327 3.177 1.00 0.00 H new ATOM 0 HA MET A 76 20.382 -35.508 2.424 1.00 0.00 H new ATOM 0 HB2 MET A 76 21.294 -33.869 3.895 1.00 0.00 H new ATOM 0 HB3 MET A 76 19.875 -33.875 4.923 1.00 0.00 H new ATOM 0 HG2 MET A 76 20.409 -36.142 5.707 1.00 0.00 H new ATOM 0 HG3 MET A 76 21.778 -36.223 4.615 1.00 0.00 H new ATOM 0 HE1 MET A 76 21.653 -34.676 8.796 1.00 0.00 H new ATOM 0 HE2 MET A 76 20.488 -33.799 7.775 1.00 0.00 H new ATOM 0 HE3 MET A 76 20.440 -35.576 7.854 1.00 0.00 H new ATOM 1183 N TRP A 77 17.758 -35.964 4.368 1.00 0.00 N ATOM 1184 CA TRP A 77 16.874 -36.981 4.925 1.00 0.00 C ATOM 1185 C TRP A 77 15.928 -37.522 3.859 1.00 0.00 C ATOM 1186 O TRP A 77 15.552 -36.808 2.929 1.00 0.00 O ATOM 1187 CB TRP A 77 16.071 -36.405 6.092 1.00 0.00 C ATOM 1188 CG TRP A 77 16.923 -35.724 7.120 1.00 0.00 C ATOM 1189 CD1 TRP A 77 17.348 -34.427 7.103 1.00 0.00 C ATOM 1190 CD2 TRP A 77 17.454 -36.307 8.315 1.00 0.00 C ATOM 1191 NE1 TRP A 77 18.112 -34.168 8.216 1.00 0.00 N ATOM 1192 CE2 TRP A 77 18.191 -35.305 8.976 1.00 0.00 C ATOM 1193 CE3 TRP A 77 17.377 -37.578 8.893 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 18.847 -35.536 10.182 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 18.028 -37.806 10.090 1.00 0.00 C ATOM 1196 CH2 TRP A 77 18.754 -36.789 10.725 1.00 0.00 C ATOM 0 H TRP A 77 17.448 -35.005 4.524 1.00 0.00 H new ATOM 0 HA TRP A 77 17.490 -37.803 5.289 1.00 0.00 H new ATOM 0 HB2 TRP A 77 15.342 -35.693 5.706 1.00 0.00 H new ATOM 0 HB3 TRP A 77 15.510 -37.208 6.570 1.00 0.00 H new ATOM 0 HD1 TRP A 77 17.118 -33.710 6.329 1.00 0.00 H new ATOM 0 HE1 TRP A 77 18.549 -33.274 8.440 1.00 0.00 H new ATOM 0 HE3 TRP A 77 16.818 -38.367 8.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 19.409 -34.755 10.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 17.977 -38.785 10.544 1.00 0.00 H new ATOM 0 HH2 TRP A 77 19.250 -36.998 11.661 1.00 0.00 H new ATOM 1207 N ARG A 78 15.546 -38.787 3.999 1.00 0.00 N ATOM 1208 CA ARG A 78 14.644 -39.424 3.047 1.00 0.00 C ATOM 1209 C ARG A 78 13.201 -38.995 3.295 1.00 0.00 C ATOM 1210 O ARG A 78 12.532 -38.482 2.398 1.00 0.00 O ATOM 1211 CB ARG A 78 14.759 -40.946 3.142 1.00 0.00 C ATOM 1212 CG ARG A 78 13.875 -41.687 2.152 1.00 0.00 C ATOM 1213 CD ARG A 78 14.376 -43.102 1.908 1.00 0.00 C ATOM 1214 NE ARG A 78 13.615 -43.779 0.861 1.00 0.00 N ATOM 1215 CZ ARG A 78 12.371 -44.214 1.022 1.00 0.00 C ATOM 1216 NH1 ARG A 78 11.750 -44.044 2.181 1.00 0.00 N ATOM 1217 NH2 ARG A 78 11.744 -44.821 0.022 1.00 0.00 N ATOM 0 H ARG A 78 15.847 -39.392 4.763 1.00 0.00 H new ATOM 0 HA ARG A 78 14.932 -39.107 2.044 1.00 0.00 H new ATOM 0 HB2 ARG A 78 15.797 -41.234 2.976 1.00 0.00 H new ATOM 0 HB3 ARG A 78 14.499 -41.259 4.153 1.00 0.00 H new ATOM 0 HG2 ARG A 78 12.853 -41.722 2.530 1.00 0.00 H new ATOM 0 HG3 ARG A 78 13.847 -41.142 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 78 15.429 -43.071 1.628 1.00 0.00 H new ATOM 0 HD3 ARG A 78 14.309 -43.675 2.833 1.00 0.00 H new ATOM 0 HE ARG A 78 14.064 -43.926 -0.043 1.00 0.00 H new ATOM 0 HH11 ARG A 78 12.228 -43.578 2.952 1.00 0.00 H new ATOM 0 HH12 ARG A 78 10.794 -44.379 2.301 1.00 0.00 H new ATOM 0 HH21 ARG A 78 12.218 -44.954 -0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 78 10.788 -45.155 0.147 1.00 0.00 H new ATOM 1231 N ASP A 79 12.728 -39.210 4.518 1.00 0.00 N ATOM 1232 CA ASP A 79 11.364 -38.846 4.885 1.00 0.00 C ATOM 1233 C ASP A 79 10.994 -37.481 4.313 1.00 0.00 C ATOM 1234 O ASP A 79 10.006 -37.347 3.591 1.00 0.00 O ATOM 1235 CB ASP A 79 11.209 -38.834 6.407 1.00 0.00 C ATOM 1236 CG ASP A 79 9.996 -38.046 6.859 1.00 0.00 C ATOM 1237 OD1 ASP A 79 8.881 -38.608 6.839 1.00 0.00 O ATOM 1238 OD2 ASP A 79 10.162 -36.866 7.234 1.00 0.00 O ATOM 0 H ASP A 79 13.269 -39.634 5.272 1.00 0.00 H new ATOM 0 HA ASP A 79 10.689 -39.592 4.465 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.128 -39.859 6.769 1.00 0.00 H new ATOM 0 HB3 ASP A 79 12.105 -38.406 6.857 1.00 0.00 H new ATOM 1243 N SER A 80 11.792 -36.471 4.642 1.00 0.00 N ATOM 1244 CA SER A 80 11.545 -35.115 4.165 1.00 0.00 C ATOM 1245 C SER A 80 11.602 -35.056 2.642 1.00 0.00 C ATOM 1246 O SER A 80 10.832 -34.333 2.008 1.00 0.00 O ATOM 1247 CB SER A 80 12.568 -34.147 4.763 1.00 0.00 C ATOM 1248 OG SER A 80 12.254 -33.840 6.110 1.00 0.00 O ATOM 0 H SER A 80 12.615 -36.566 5.237 1.00 0.00 H new ATOM 0 HA SER A 80 10.546 -34.820 4.485 1.00 0.00 H new ATOM 0 HB2 SER A 80 13.564 -34.587 4.710 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.593 -33.230 4.174 1.00 0.00 H new ATOM 0 HG SER A 80 12.924 -33.221 6.469 1.00 0.00 H new ATOM 1254 N PHE A 81 12.518 -35.822 2.060 1.00 0.00 N ATOM 1255 CA PHE A 81 12.677 -35.858 0.611 1.00 0.00 C ATOM 1256 C PHE A 81 11.407 -36.367 -0.063 1.00 0.00 C ATOM 1257 O PHE A 81 10.686 -35.607 -0.711 1.00 0.00 O ATOM 1258 CB PHE A 81 13.863 -36.746 0.228 1.00 0.00 C ATOM 1259 CG PHE A 81 13.931 -37.056 -1.240 1.00 0.00 C ATOM 1260 CD1 PHE A 81 14.202 -36.056 -2.160 1.00 0.00 C ATOM 1261 CD2 PHE A 81 13.723 -38.346 -1.700 1.00 0.00 C ATOM 1262 CE1 PHE A 81 14.266 -36.337 -3.512 1.00 0.00 C ATOM 1263 CE2 PHE A 81 13.786 -38.633 -3.050 1.00 0.00 C ATOM 1264 CZ PHE A 81 14.056 -37.627 -3.958 1.00 0.00 C ATOM 0 H PHE A 81 13.162 -36.427 2.570 1.00 0.00 H new ATOM 0 HA PHE A 81 12.868 -34.842 0.266 1.00 0.00 H new ATOM 0 HB2 PHE A 81 14.787 -36.254 0.530 1.00 0.00 H new ATOM 0 HB3 PHE A 81 13.802 -37.680 0.786 1.00 0.00 H new ATOM 0 HD1 PHE A 81 14.365 -35.045 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 81 13.509 -39.136 -0.995 1.00 0.00 H new ATOM 0 HE1 PHE A 81 14.480 -35.549 -4.219 1.00 0.00 H new ATOM 0 HE2 PHE A 81 13.624 -39.643 -3.396 1.00 0.00 H new ATOM 0 HZ PHE A 81 14.103 -37.849 -5.014 1.00 0.00 H new ATOM 1274 N HIS A 82 11.139 -37.660 0.093 1.00 0.00 N ATOM 1275 CA HIS A 82 9.955 -38.272 -0.500 1.00 0.00 C ATOM 1276 C HIS A 82 8.707 -37.451 -0.194 1.00 0.00 C ATOM 1277 O HIS A 82 7.828 -37.299 -1.043 1.00 0.00 O ATOM 1278 CB HIS A 82 9.780 -39.700 0.017 1.00 0.00 C ATOM 1279 CG HIS A 82 10.580 -40.715 -0.741 1.00 0.00 C ATOM 1280 ND1 HIS A 82 11.932 -40.903 -0.550 1.00 0.00 N ATOM 1281 CD2 HIS A 82 10.209 -41.600 -1.696 1.00 0.00 C ATOM 1282 CE1 HIS A 82 12.359 -41.859 -1.355 1.00 0.00 C ATOM 1283 NE2 HIS A 82 11.333 -42.299 -2.061 1.00 0.00 N ATOM 0 H HIS A 82 11.725 -38.304 0.625 1.00 0.00 H new ATOM 0 HA HIS A 82 10.094 -38.299 -1.581 1.00 0.00 H new ATOM 0 HB2 HIS A 82 10.067 -39.735 1.068 1.00 0.00 H new ATOM 0 HB3 HIS A 82 8.725 -39.969 -0.034 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.215 -41.732 -2.096 1.00 0.00 H new ATOM 0 HE1 HIS A 82 13.375 -42.220 -1.424 1.00 0.00 H new ATOM 0 HE2 HIS A 82 11.370 -43.038 -2.763 1.00 0.00 H new ATOM 1291 N ARG A 83 8.636 -36.924 1.024 1.00 0.00 N ATOM 1292 CA ARG A 83 7.494 -36.120 1.443 1.00 0.00 C ATOM 1293 C ARG A 83 7.404 -34.835 0.624 1.00 0.00 C ATOM 1294 O ARG A 83 6.314 -34.402 0.247 1.00 0.00 O ATOM 1295 CB ARG A 83 7.599 -35.782 2.931 1.00 0.00 C ATOM 1296 CG ARG A 83 6.607 -34.725 3.388 1.00 0.00 C ATOM 1297 CD ARG A 83 6.881 -34.284 4.817 1.00 0.00 C ATOM 1298 NE ARG A 83 6.252 -35.169 5.793 1.00 0.00 N ATOM 1299 CZ ARG A 83 5.986 -34.812 7.045 1.00 0.00 C ATOM 1300 NH1 ARG A 83 6.293 -33.594 7.470 1.00 0.00 N ATOM 1301 NH2 ARG A 83 5.412 -35.673 7.874 1.00 0.00 N ATOM 0 H ARG A 83 9.355 -37.039 1.738 1.00 0.00 H new ATOM 0 HA ARG A 83 6.589 -36.704 1.273 1.00 0.00 H new ATOM 0 HB2 ARG A 83 7.443 -36.690 3.513 1.00 0.00 H new ATOM 0 HB3 ARG A 83 8.610 -35.436 3.146 1.00 0.00 H new ATOM 0 HG2 ARG A 83 6.661 -33.863 2.723 1.00 0.00 H new ATOM 0 HG3 ARG A 83 5.594 -35.120 3.316 1.00 0.00 H new ATOM 0 HD2 ARG A 83 7.957 -34.261 4.989 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.514 -33.268 4.959 1.00 0.00 H new ATOM 0 HE ARG A 83 6.003 -36.113 5.498 1.00 0.00 H new ATOM 0 HH11 ARG A 83 6.734 -32.929 6.835 1.00 0.00 H new ATOM 0 HH12 ARG A 83 6.088 -33.323 8.432 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.174 -36.611 7.551 1.00 0.00 H new ATOM 0 HH22 ARG A 83 5.208 -35.398 8.835 1.00 0.00 H new ATOM 1315 N HIS A 84 8.556 -34.230 0.353 1.00 0.00 N ATOM 1316 CA HIS A 84 8.607 -32.995 -0.422 1.00 0.00 C ATOM 1317 C HIS A 84 8.352 -33.270 -1.901 1.00 0.00 C ATOM 1318 O HIS A 84 7.397 -32.757 -2.482 1.00 0.00 O ATOM 1319 CB HIS A 84 9.964 -32.313 -0.244 1.00 0.00 C ATOM 1320 CG HIS A 84 10.290 -31.336 -1.331 1.00 0.00 C ATOM 1321 ND1 HIS A 84 10.285 -29.970 -1.142 1.00 0.00 N ATOM 1322 CD2 HIS A 84 10.634 -31.533 -2.625 1.00 0.00 C ATOM 1323 CE1 HIS A 84 10.610 -29.370 -2.273 1.00 0.00 C ATOM 1324 NE2 HIS A 84 10.827 -30.296 -3.189 1.00 0.00 N ATOM 0 H HIS A 84 9.466 -34.574 0.658 1.00 0.00 H new ATOM 0 HA HIS A 84 7.824 -32.332 -0.055 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.978 -31.795 0.715 1.00 0.00 H new ATOM 0 HB3 HIS A 84 10.742 -33.075 -0.206 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.738 -32.486 -3.122 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.685 -28.303 -2.423 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.094 -30.121 -4.158 1.00 0.00 H new ATOM 1332 N VAL A 85 9.214 -34.083 -2.503 1.00 0.00 N ATOM 1333 CA VAL A 85 9.082 -34.427 -3.914 1.00 0.00 C ATOM 1334 C VAL A 85 7.629 -34.711 -4.277 1.00 0.00 C ATOM 1335 O VAL A 85 7.085 -34.126 -5.215 1.00 0.00 O ATOM 1336 CB VAL A 85 9.939 -35.655 -4.275 1.00 0.00 C ATOM 1337 CG1 VAL A 85 9.827 -35.966 -5.760 1.00 0.00 C ATOM 1338 CG2 VAL A 85 11.390 -35.427 -3.878 1.00 0.00 C ATOM 0 H VAL A 85 10.011 -34.516 -2.036 1.00 0.00 H new ATOM 0 HA VAL A 85 9.434 -33.567 -4.483 1.00 0.00 H new ATOM 0 HB VAL A 85 9.564 -36.514 -3.719 1.00 0.00 H new ATOM 0 HG11 VAL A 85 10.439 -36.836 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 85 8.787 -36.175 -6.011 1.00 0.00 H new ATOM 0 HG13 VAL A 85 10.175 -35.110 -6.338 1.00 0.00 H new ATOM 0 HG21 VAL A 85 11.981 -36.304 -4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 85 11.779 -34.556 -4.406 1.00 0.00 H new ATOM 0 HG23 VAL A 85 11.451 -35.257 -2.803 1.00 0.00 H new ATOM 1348 N THR A 86 7.003 -35.613 -3.528 1.00 0.00 N ATOM 1349 CA THR A 86 5.612 -35.976 -3.771 1.00 0.00 C ATOM 1350 C THR A 86 4.723 -34.739 -3.822 1.00 0.00 C ATOM 1351 O THR A 86 3.909 -34.585 -4.734 1.00 0.00 O ATOM 1352 CB THR A 86 5.083 -36.930 -2.684 1.00 0.00 C ATOM 1353 OG1 THR A 86 5.795 -38.171 -2.732 1.00 0.00 O ATOM 1354 CG2 THR A 86 3.594 -37.186 -2.867 1.00 0.00 C ATOM 0 H THR A 86 7.437 -36.106 -2.748 1.00 0.00 H new ATOM 0 HA THR A 86 5.581 -36.483 -4.735 1.00 0.00 H new ATOM 0 HB THR A 86 5.238 -36.460 -1.713 1.00 0.00 H new ATOM 0 HG1 THR A 86 6.610 -38.101 -2.193 1.00 0.00 H new ATOM 0 HG21 THR A 86 3.243 -37.862 -2.088 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.052 -36.243 -2.800 1.00 0.00 H new ATOM 0 HG23 THR A 86 3.420 -37.636 -3.844 1.00 0.00 H new ATOM 1362 N SER A 87 4.883 -33.859 -2.839 1.00 0.00 N ATOM 1363 CA SER A 87 4.091 -32.636 -2.772 1.00 0.00 C ATOM 1364 C SER A 87 4.737 -31.525 -3.594 1.00 0.00 C ATOM 1365 O SER A 87 4.601 -30.343 -3.276 1.00 0.00 O ATOM 1366 CB SER A 87 3.934 -32.185 -1.318 1.00 0.00 C ATOM 1367 OG SER A 87 2.787 -31.368 -1.159 1.00 0.00 O ATOM 0 H SER A 87 5.553 -33.970 -2.078 1.00 0.00 H new ATOM 0 HA SER A 87 3.106 -32.846 -3.189 1.00 0.00 H new ATOM 0 HB2 SER A 87 3.856 -33.058 -0.670 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.822 -31.635 -1.006 1.00 0.00 H new ATOM 0 HG SER A 87 2.708 -31.094 -0.221 1.00 0.00 H new ATOM 1373 N CYS A 88 5.440 -31.913 -4.653 1.00 0.00 N ATOM 1374 CA CYS A 88 6.108 -30.952 -5.522 1.00 0.00 C ATOM 1375 C CYS A 88 5.696 -31.157 -6.977 1.00 0.00 C ATOM 1376 O CYS A 88 5.715 -30.221 -7.777 1.00 0.00 O ATOM 1377 CB CYS A 88 7.626 -31.080 -5.387 1.00 0.00 C ATOM 1378 SG CYS A 88 8.535 -29.537 -5.722 1.00 0.00 S ATOM 0 H CYS A 88 5.562 -32.887 -4.930 1.00 0.00 H new ATOM 0 HA CYS A 88 5.806 -29.951 -5.215 1.00 0.00 H new ATOM 0 HB2 CYS A 88 7.863 -31.417 -4.378 1.00 0.00 H new ATOM 0 HB3 CYS A 88 7.977 -31.852 -6.072 1.00 0.00 H new ATOM 0 HG CYS A 88 7.973 -28.908 -6.711 1.00 0.00 H new ATOM 1383 N THR A 89 5.325 -32.388 -7.313 1.00 0.00 N ATOM 1384 CA THR A 89 4.910 -32.717 -8.671 1.00 0.00 C ATOM 1385 C THR A 89 3.411 -32.506 -8.854 1.00 0.00 C ATOM 1386 O THR A 89 2.907 -32.502 -9.978 1.00 0.00 O ATOM 1387 CB THR A 89 5.259 -34.175 -9.027 1.00 0.00 C ATOM 1388 OG1 THR A 89 6.654 -34.411 -8.810 1.00 0.00 O ATOM 1389 CG2 THR A 89 4.908 -34.476 -10.477 1.00 0.00 C ATOM 0 H THR A 89 5.303 -33.174 -6.663 1.00 0.00 H new ATOM 0 HA THR A 89 5.453 -32.048 -9.339 1.00 0.00 H new ATOM 0 HB THR A 89 4.675 -34.833 -8.384 1.00 0.00 H new ATOM 0 HG1 THR A 89 6.868 -35.340 -9.037 1.00 0.00 H new ATOM 0 HG21 THR A 89 5.163 -35.511 -10.706 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.840 -34.323 -10.632 1.00 0.00 H new ATOM 0 HG23 THR A 89 5.469 -33.810 -11.133 1.00 0.00 H new ATOM 1397 N LYS A 90 2.703 -32.329 -7.744 1.00 0.00 N ATOM 1398 CA LYS A 90 1.261 -32.115 -7.781 1.00 0.00 C ATOM 1399 C LYS A 90 0.915 -30.891 -8.622 1.00 0.00 C ATOM 1400 O LYS A 90 0.112 -30.971 -9.551 1.00 0.00 O ATOM 1401 CB LYS A 90 0.713 -31.945 -6.363 1.00 0.00 C ATOM 1402 CG LYS A 90 1.413 -30.857 -5.567 1.00 0.00 C ATOM 1403 CD LYS A 90 1.415 -31.166 -4.080 1.00 0.00 C ATOM 1404 CE LYS A 90 0.212 -30.550 -3.381 1.00 0.00 C ATOM 1405 NZ LYS A 90 0.273 -29.062 -3.382 1.00 0.00 N ATOM 0 H LYS A 90 3.105 -32.330 -6.806 1.00 0.00 H new ATOM 0 HA LYS A 90 0.800 -32.991 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -0.351 -31.715 -6.419 1.00 0.00 H new ATOM 0 HB3 LYS A 90 0.807 -32.891 -5.830 1.00 0.00 H new ATOM 0 HG2 LYS A 90 2.439 -30.751 -5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 90 0.917 -29.902 -5.740 1.00 0.00 H new ATOM 0 HD2 LYS A 90 1.410 -32.246 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 90 2.332 -30.787 -3.630 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -0.702 -30.876 -3.876 1.00 0.00 H new ATOM 0 HE3 LYS A 90 0.164 -30.911 -2.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -0.279 -28.691 -2.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 1.263 -28.755 -3.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -0.122 -28.699 -4.273 1.00 0.00 H new ATOM 1419 N SER A 91 1.527 -29.758 -8.290 1.00 0.00 N ATOM 1420 CA SER A 91 1.281 -28.516 -9.014 1.00 0.00 C ATOM 1421 C SER A 91 1.931 -28.553 -10.394 1.00 0.00 C ATOM 1422 O SER A 91 1.292 -28.253 -11.402 1.00 0.00 O ATOM 1423 CB SER A 91 1.815 -27.324 -8.218 1.00 0.00 C ATOM 1424 OG SER A 91 1.273 -27.301 -6.909 1.00 0.00 O ATOM 0 H SER A 91 2.196 -29.675 -7.525 1.00 0.00 H new ATOM 0 HA SER A 91 0.204 -28.406 -9.142 1.00 0.00 H new ATOM 0 HB2 SER A 91 2.902 -27.377 -8.164 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.566 -26.397 -8.734 1.00 0.00 H new ATOM 0 HG SER A 91 1.631 -26.531 -6.420 1.00 0.00 H new ATOM 1430 N TYR A 92 3.207 -28.923 -10.430 1.00 0.00 N ATOM 1431 CA TYR A 92 3.946 -28.998 -11.684 1.00 0.00 C ATOM 1432 C TYR A 92 3.085 -29.605 -12.788 1.00 0.00 C ATOM 1433 O TYR A 92 2.987 -29.056 -13.885 1.00 0.00 O ATOM 1434 CB TYR A 92 5.219 -29.825 -11.502 1.00 0.00 C ATOM 1435 CG TYR A 92 5.815 -30.314 -12.803 1.00 0.00 C ATOM 1436 CD1 TYR A 92 5.251 -31.381 -13.490 1.00 0.00 C ATOM 1437 CD2 TYR A 92 6.943 -29.708 -13.344 1.00 0.00 C ATOM 1438 CE1 TYR A 92 5.793 -31.832 -14.679 1.00 0.00 C ATOM 1439 CE2 TYR A 92 7.490 -30.151 -14.533 1.00 0.00 C ATOM 1440 CZ TYR A 92 6.912 -31.213 -15.196 1.00 0.00 C ATOM 1441 OH TYR A 92 7.454 -31.658 -16.380 1.00 0.00 O ATOM 0 H TYR A 92 3.750 -29.176 -9.605 1.00 0.00 H new ATOM 0 HA TYR A 92 4.219 -27.984 -11.977 1.00 0.00 H new ATOM 0 HB2 TYR A 92 5.960 -29.224 -10.976 1.00 0.00 H new ATOM 0 HB3 TYR A 92 4.997 -30.684 -10.868 1.00 0.00 H new ATOM 0 HD1 TYR A 92 4.374 -31.867 -13.088 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.399 -28.877 -12.826 1.00 0.00 H new ATOM 0 HE1 TYR A 92 5.343 -32.664 -15.200 1.00 0.00 H new ATOM 0 HE2 TYR A 92 8.366 -29.668 -14.941 1.00 0.00 H new ATOM 0 HH TYR A 92 8.237 -31.114 -16.606 1.00 0.00 H new ATOM 1451 N GLU A 93 2.463 -30.740 -12.488 1.00 0.00 N ATOM 1452 CA GLU A 93 1.611 -31.423 -13.454 1.00 0.00 C ATOM 1453 C GLU A 93 0.512 -30.493 -13.962 1.00 0.00 C ATOM 1454 O GLU A 93 0.172 -30.505 -15.145 1.00 0.00 O ATOM 1455 CB GLU A 93 0.988 -32.672 -12.827 1.00 0.00 C ATOM 1456 CG GLU A 93 1.824 -33.927 -13.012 1.00 0.00 C ATOM 1457 CD GLU A 93 1.477 -34.677 -14.283 1.00 0.00 C ATOM 1458 OE1 GLU A 93 1.077 -34.021 -15.267 1.00 0.00 O ATOM 1459 OE2 GLU A 93 1.605 -35.919 -14.293 1.00 0.00 O ATOM 0 H GLU A 93 2.533 -31.206 -11.584 1.00 0.00 H new ATOM 0 HA GLU A 93 2.231 -31.722 -14.299 1.00 0.00 H new ATOM 0 HB2 GLU A 93 0.840 -32.498 -11.761 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.002 -32.834 -13.263 1.00 0.00 H new ATOM 0 HG2 GLU A 93 2.880 -33.656 -13.031 1.00 0.00 H new ATOM 0 HG3 GLU A 93 1.679 -34.585 -12.155 1.00 0.00 H new