USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 628 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 27 SER OG : rot 17:sc= 0.13 USER MOD Set 1.2: A 40 GLN : amide:sc= 0.525 K(o=0.65,f=-3!) USER MOD Single : A 16 CYS SG : rot 110:sc= -2.66 USER MOD Single : A 18 ASN : amide:sc=-0.00838 K(o=-0.0084,f=-0.73) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 HIS : no HD1:sc= -2.59 K(o=-2.6,f=-0.59) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -137:sc= 0.172 (180deg=-0.0602) USER MOD Single : A 34 ASN : amide:sc= -0.588 K(o=-0.59,f=1.1) USER MOD Single : A 39 ASN : amide:sc= -2.95! K(o=-3!,f=-0.94) USER MOD Single : A 42 GLN : amide:sc= -1.74! K(o=-1.7!,f=-0.92) USER MOD Single : A 43 TYR OH : rot 137:sc= 1.14 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 130:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 50 ASN : amide:sc= -4.27! C(o=-4.3!,f=-1.7!) USER MOD Single : A 51 MET CE :methyl -167:sc= -0.0984 (180deg=-0.602) USER MOD Single : A 52 MET CE :methyl 168:sc= -5.63! (180deg=-5.76!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= -0.219 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= -0.109 USER MOD Single : A 77 LYS NZ :NH3+ -109:sc= 0.41 (180deg=0.00421) USER MOD Single : A 83 LYS NZ :NH3+ 176:sc= -1.56 (180deg=-1.59) USER MOD Single : A 84 LYS NZ :NH3+ 167:sc=-0.00101 (180deg=-0.0979) USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 0.624 6.907 5.484 1.00 0.00 N ATOM 121 CA LEU A 11 1.738 6.101 4.997 1.00 0.00 C ATOM 122 C LEU A 11 1.724 4.714 5.633 1.00 0.00 C ATOM 123 O LEU A 11 2.121 3.731 5.007 1.00 0.00 O ATOM 124 CB LEU A 11 3.066 6.798 5.296 1.00 0.00 C ATOM 125 CG LEU A 11 4.207 6.516 4.316 1.00 0.00 C ATOM 126 CD1 LEU A 11 4.682 5.078 4.450 1.00 0.00 C ATOM 127 CD2 LEU A 11 3.766 6.803 2.888 1.00 0.00 C ATOM 0 HA LEU A 11 1.629 5.988 3.918 1.00 0.00 H new ATOM 0 HB2 LEU A 11 2.892 7.874 5.320 1.00 0.00 H new ATOM 0 HB3 LEU A 11 3.390 6.505 6.295 1.00 0.00 H new ATOM 0 HG LEU A 11 5.040 7.176 4.558 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.493 4.896 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.038 4.905 5.466 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.856 4.400 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.590 6.597 2.204 1.00 0.00 H new ATOM 0 HD22 LEU A 11 2.917 6.168 2.635 1.00 0.00 H new ATOM 0 HD23 LEU A 11 3.475 7.850 2.800 1.00 0.00 H new ATOM 139 N ARG A 12 1.262 4.644 6.876 1.00 0.00 N ATOM 140 CA ARG A 12 1.196 3.377 7.595 1.00 0.00 C ATOM 141 C ARG A 12 0.447 2.327 6.780 1.00 0.00 C ATOM 142 O ARG A 12 0.526 1.132 7.064 1.00 0.00 O ATOM 143 CB ARG A 12 0.511 3.570 8.950 1.00 0.00 C ATOM 144 CG ARG A 12 1.430 4.130 10.023 1.00 0.00 C ATOM 145 CD ARG A 12 2.488 3.119 10.434 1.00 0.00 C ATOM 146 NE ARG A 12 3.677 3.196 9.589 1.00 0.00 N ATOM 147 CZ ARG A 12 4.536 4.208 9.619 1.00 0.00 C ATOM 148 NH1 ARG A 12 4.340 5.224 10.448 1.00 0.00 N ATOM 149 NH2 ARG A 12 5.594 4.206 8.819 1.00 0.00 N ATOM 0 H ARG A 12 0.928 5.449 7.407 1.00 0.00 H new ATOM 0 HA ARG A 12 2.215 3.027 7.757 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -0.339 4.241 8.825 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.115 2.612 9.287 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.914 5.034 9.654 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.841 4.417 10.894 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.770 3.291 11.473 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.069 2.114 10.380 1.00 0.00 H new ATOM 0 HE ARG A 12 3.857 2.430 8.940 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.528 5.230 11.065 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.002 6.000 10.469 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.748 3.426 8.180 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.253 4.984 8.843 1.00 0.00 H new ATOM 163 N GLY A 13 -0.282 2.783 5.764 1.00 0.00 N ATOM 164 CA GLY A 13 -1.034 1.870 4.924 1.00 0.00 C ATOM 165 C GLY A 13 -0.197 0.704 4.438 1.00 0.00 C ATOM 166 O GLY A 13 -0.733 -0.310 3.990 1.00 0.00 O ATOM 0 H GLY A 13 -0.364 3.767 5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -1.890 1.491 5.481 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -1.428 2.413 4.065 1.00 0.00 H new ATOM 170 N LEU A 14 1.121 0.846 4.527 1.00 0.00 N ATOM 171 CA LEU A 14 2.034 -0.203 4.091 1.00 0.00 C ATOM 172 C LEU A 14 2.397 -1.126 5.251 1.00 0.00 C ATOM 173 O LEU A 14 2.210 -2.340 5.171 1.00 0.00 O ATOM 174 CB LEU A 14 3.304 0.411 3.498 1.00 0.00 C ATOM 175 CG LEU A 14 3.129 1.176 2.185 1.00 0.00 C ATOM 176 CD1 LEU A 14 4.456 1.763 1.730 1.00 0.00 C ATOM 177 CD2 LEU A 14 2.550 0.266 1.112 1.00 0.00 C ATOM 0 H LEU A 14 1.581 1.678 4.897 1.00 0.00 H new ATOM 0 HA LEU A 14 1.530 -0.792 3.325 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.735 1.088 4.235 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.029 -0.387 3.337 1.00 0.00 H new ATOM 0 HG LEU A 14 2.431 1.996 2.353 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.313 2.304 0.794 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.831 2.447 2.491 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.176 0.959 1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.432 0.826 0.185 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.224 -0.574 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.579 -0.107 1.437 1.00 0.00 H new ATOM 189 N GLU A 15 2.913 -0.541 6.327 1.00 0.00 N ATOM 190 CA GLU A 15 3.299 -1.311 7.503 1.00 0.00 C ATOM 191 C GLU A 15 2.103 -2.064 8.077 1.00 0.00 C ATOM 192 O GLU A 15 2.218 -3.227 8.469 1.00 0.00 O ATOM 193 CB GLU A 15 3.895 -0.390 8.571 1.00 0.00 C ATOM 194 CG GLU A 15 5.346 -0.020 8.314 1.00 0.00 C ATOM 195 CD GLU A 15 6.313 -1.075 8.815 1.00 0.00 C ATOM 196 OE1 GLU A 15 5.990 -2.276 8.705 1.00 0.00 O ATOM 197 OE2 GLU A 15 7.394 -0.700 9.316 1.00 0.00 O ATOM 0 H GLU A 15 3.073 0.463 6.409 1.00 0.00 H new ATOM 0 HA GLU A 15 4.052 -2.037 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 15 3.300 0.522 8.625 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.820 -0.878 9.543 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.496 0.127 7.244 1.00 0.00 H new ATOM 0 HG3 GLU A 15 5.567 0.930 8.800 1.00 0.00 H new ATOM 204 N CYS A 16 0.957 -1.396 8.122 1.00 0.00 N ATOM 205 CA CYS A 16 -0.262 -2.001 8.650 1.00 0.00 C ATOM 206 C CYS A 16 -0.345 -3.475 8.268 1.00 0.00 C ATOM 207 O CYS A 16 -0.343 -4.352 9.134 1.00 0.00 O ATOM 208 CB CYS A 16 -1.492 -1.256 8.129 1.00 0.00 C ATOM 209 SG CYS A 16 -3.062 -2.066 8.515 1.00 0.00 S ATOM 0 H CYS A 16 0.845 -0.435 7.799 1.00 0.00 H new ATOM 0 HA CYS A 16 -0.235 -1.927 9.737 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -1.501 -0.251 8.550 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -1.407 -1.148 7.048 1.00 0.00 H new ATOM 0 HG CYS A 16 -3.706 -1.365 9.400 1.00 0.00 H new ATOM 215 N ILE A 17 -0.420 -3.742 6.969 1.00 0.00 N ATOM 216 CA ILE A 17 -0.504 -5.109 6.473 1.00 0.00 C ATOM 217 C ILE A 17 0.719 -5.921 6.886 1.00 0.00 C ATOM 218 O ILE A 17 1.849 -5.440 6.810 1.00 0.00 O ATOM 219 CB ILE A 17 -0.636 -5.146 4.939 1.00 0.00 C ATOM 220 CG1 ILE A 17 0.504 -4.362 4.289 1.00 0.00 C ATOM 221 CG2 ILE A 17 -1.984 -4.584 4.510 1.00 0.00 C ATOM 222 CD1 ILE A 17 0.600 -4.562 2.793 1.00 0.00 C ATOM 0 H ILE A 17 -0.424 -3.028 6.240 1.00 0.00 H new ATOM 0 HA ILE A 17 -1.397 -5.550 6.917 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.574 -6.183 4.608 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.369 -3.301 4.497 1.00 0.00 H new ATOM 0 HG13 ILE A 17 1.447 -4.660 4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -2.063 -4.617 3.423 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -2.783 -5.180 4.950 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -2.073 -3.552 4.849 1.00 0.00 H new ATOM 0 HD11 ILE A 17 1.431 -3.976 2.400 1.00 0.00 H new ATOM 0 HD12 ILE A 17 0.766 -5.617 2.577 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -0.328 -4.237 2.322 1.00 0.00 H new ATOM 234 N ASN A 18 0.486 -7.154 7.322 1.00 0.00 N ATOM 235 CA ASN A 18 1.569 -8.034 7.745 1.00 0.00 C ATOM 236 C ASN A 18 2.600 -8.201 6.633 1.00 0.00 C ATOM 237 O ASN A 18 2.253 -8.256 5.453 1.00 0.00 O ATOM 238 CB ASN A 18 1.015 -9.400 8.153 1.00 0.00 C ATOM 239 CG ASN A 18 0.046 -9.308 9.316 1.00 0.00 C ATOM 240 OD1 ASN A 18 0.130 -8.396 10.137 1.00 0.00 O ATOM 241 ND2 ASN A 18 -0.881 -10.256 9.390 1.00 0.00 N ATOM 0 H ASN A 18 -0.444 -7.567 7.392 1.00 0.00 H new ATOM 0 HA ASN A 18 2.060 -7.578 8.605 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.512 -9.854 7.300 1.00 0.00 H new ATOM 0 HB3 ASN A 18 1.841 -10.058 8.423 1.00 0.00 H new ATOM 0 HD21 ASN A 18 -1.561 -10.246 10.150 1.00 0.00 H new ATOM 0 HD22 ASN A 18 -0.913 -10.994 8.686 1.00 0.00 H new ATOM 248 N LYS A 19 3.869 -8.282 7.018 1.00 0.00 N ATOM 249 CA LYS A 19 4.953 -8.446 6.056 1.00 0.00 C ATOM 250 C LYS A 19 4.550 -9.405 4.941 1.00 0.00 C ATOM 251 O LYS A 19 5.020 -9.291 3.809 1.00 0.00 O ATOM 252 CB LYS A 19 6.212 -8.960 6.757 1.00 0.00 C ATOM 253 CG LYS A 19 6.817 -7.964 7.731 1.00 0.00 C ATOM 254 CD LYS A 19 7.479 -6.805 7.003 1.00 0.00 C ATOM 255 CE LYS A 19 8.804 -7.221 6.382 1.00 0.00 C ATOM 256 NZ LYS A 19 9.903 -7.245 7.387 1.00 0.00 N ATOM 0 H LYS A 19 4.173 -8.237 7.991 1.00 0.00 H new ATOM 0 HA LYS A 19 5.164 -7.472 5.614 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.970 -9.878 7.293 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.957 -9.217 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.040 -7.583 8.393 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.552 -8.468 8.359 1.00 0.00 H new ATOM 0 HD2 LYS A 19 6.812 -6.434 6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.644 -5.983 7.700 1.00 0.00 H new ATOM 0 HE2 LYS A 19 8.701 -8.209 5.933 1.00 0.00 H new ATOM 0 HE3 LYS A 19 9.061 -6.531 5.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.789 -7.533 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 10.019 -6.296 7.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.669 -7.922 8.141 1.00 0.00 H new ATOM 270 N HIS A 20 3.674 -10.351 5.268 1.00 0.00 N ATOM 271 CA HIS A 20 3.206 -11.330 4.294 1.00 0.00 C ATOM 272 C HIS A 20 2.662 -10.638 3.046 1.00 0.00 C ATOM 273 O HIS A 20 3.094 -10.923 1.929 1.00 0.00 O ATOM 274 CB HIS A 20 2.125 -12.218 4.910 1.00 0.00 C ATOM 275 CG HIS A 20 1.242 -12.878 3.896 1.00 0.00 C ATOM 276 ND1 HIS A 20 1.541 -14.091 3.313 1.00 0.00 N ATOM 277 CD2 HIS A 20 0.060 -12.487 3.363 1.00 0.00 C ATOM 278 CE1 HIS A 20 0.583 -14.417 2.464 1.00 0.00 C ATOM 279 NE2 HIS A 20 -0.329 -13.461 2.476 1.00 0.00 N ATOM 0 H HIS A 20 3.274 -10.460 6.200 1.00 0.00 H new ATOM 0 HA HIS A 20 4.054 -11.951 4.004 1.00 0.00 H new ATOM 0 HB2 HIS A 20 2.601 -12.986 5.520 1.00 0.00 H new ATOM 0 HB3 HIS A 20 1.510 -11.616 5.579 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.477 -11.578 3.593 1.00 0.00 H new ATOM 0 HE1 HIS A 20 0.551 -15.313 1.862 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -1.183 -13.448 1.918 1.00 0.00 H new ATOM 288 N TYR A 21 1.714 -9.730 3.246 1.00 0.00 N ATOM 289 CA TYR A 21 1.110 -9.001 2.138 1.00 0.00 C ATOM 290 C TYR A 21 2.065 -7.941 1.596 1.00 0.00 C ATOM 291 O TYR A 21 2.258 -7.822 0.387 1.00 0.00 O ATOM 292 CB TYR A 21 -0.197 -8.343 2.585 1.00 0.00 C ATOM 293 CG TYR A 21 -1.328 -9.325 2.795 1.00 0.00 C ATOM 294 CD1 TYR A 21 -1.587 -10.326 1.868 1.00 0.00 C ATOM 295 CD2 TYR A 21 -2.137 -9.251 3.922 1.00 0.00 C ATOM 296 CE1 TYR A 21 -2.619 -11.225 2.056 1.00 0.00 C ATOM 297 CE2 TYR A 21 -3.170 -10.147 4.120 1.00 0.00 C ATOM 298 CZ TYR A 21 -3.407 -11.131 3.184 1.00 0.00 C ATOM 299 OH TYR A 21 -4.437 -12.024 3.376 1.00 0.00 O ATOM 0 H TYR A 21 1.347 -9.481 4.165 1.00 0.00 H new ATOM 0 HA TYR A 21 0.898 -9.714 1.342 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -0.022 -7.800 3.513 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -0.498 -7.609 1.838 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.971 -10.403 0.984 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -1.955 -8.480 4.656 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -2.808 -11.997 1.324 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -3.788 -10.077 5.003 1.00 0.00 H new ATOM 0 HH TYR A 21 -4.893 -11.821 4.219 1.00 0.00 H new ATOM 309 N PHE A 22 2.663 -7.175 2.503 1.00 0.00 N ATOM 310 CA PHE A 22 3.599 -6.125 2.118 1.00 0.00 C ATOM 311 C PHE A 22 4.522 -6.602 1.002 1.00 0.00 C ATOM 312 O PHE A 22 4.748 -5.892 0.022 1.00 0.00 O ATOM 313 CB PHE A 22 4.429 -5.685 3.327 1.00 0.00 C ATOM 314 CG PHE A 22 5.509 -4.698 2.985 1.00 0.00 C ATOM 315 CD1 PHE A 22 5.275 -3.683 2.072 1.00 0.00 C ATOM 316 CD2 PHE A 22 6.757 -4.785 3.579 1.00 0.00 C ATOM 317 CE1 PHE A 22 6.266 -2.774 1.755 1.00 0.00 C ATOM 318 CE2 PHE A 22 7.752 -3.878 3.267 1.00 0.00 C ATOM 319 CZ PHE A 22 7.507 -2.872 2.353 1.00 0.00 C ATOM 0 H PHE A 22 2.516 -7.262 3.509 1.00 0.00 H new ATOM 0 HA PHE A 22 3.023 -5.275 1.751 1.00 0.00 H new ATOM 0 HB2 PHE A 22 3.766 -5.243 4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.883 -6.564 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 22 4.306 -3.601 1.602 1.00 0.00 H new ATOM 0 HD2 PHE A 22 6.955 -5.570 4.294 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.070 -1.988 1.041 1.00 0.00 H new ATOM 0 HE2 PHE A 22 8.721 -3.956 3.738 1.00 0.00 H new ATOM 0 HZ PHE A 22 8.284 -2.164 2.106 1.00 0.00 H new ATOM 329 N SER A 23 5.055 -7.811 1.157 1.00 0.00 N ATOM 330 CA SER A 23 5.957 -8.382 0.164 1.00 0.00 C ATOM 331 C SER A 23 5.313 -8.382 -1.219 1.00 0.00 C ATOM 332 O SER A 23 5.932 -7.980 -2.206 1.00 0.00 O ATOM 333 CB SER A 23 6.346 -9.808 0.558 1.00 0.00 C ATOM 334 OG SER A 23 7.354 -10.317 -0.300 1.00 0.00 O ATOM 0 H SER A 23 4.877 -8.413 1.961 1.00 0.00 H new ATOM 0 HA SER A 23 6.855 -7.765 0.127 1.00 0.00 H new ATOM 0 HB2 SER A 23 6.701 -9.820 1.589 1.00 0.00 H new ATOM 0 HB3 SER A 23 5.468 -10.453 0.516 1.00 0.00 H new ATOM 0 HG SER A 23 7.586 -11.229 -0.027 1.00 0.00 H new ATOM 340 N LEU A 24 4.066 -8.835 -1.284 1.00 0.00 N ATOM 341 CA LEU A 24 3.336 -8.889 -2.546 1.00 0.00 C ATOM 342 C LEU A 24 3.295 -7.516 -3.210 1.00 0.00 C ATOM 343 O LEU A 24 3.635 -7.373 -4.385 1.00 0.00 O ATOM 344 CB LEU A 24 1.912 -9.397 -2.312 1.00 0.00 C ATOM 345 CG LEU A 24 1.754 -10.912 -2.181 1.00 0.00 C ATOM 346 CD1 LEU A 24 2.070 -11.361 -0.763 1.00 0.00 C ATOM 347 CD2 LEU A 24 0.347 -11.337 -2.575 1.00 0.00 C ATOM 0 H LEU A 24 3.539 -9.170 -0.478 1.00 0.00 H new ATOM 0 HA LEU A 24 3.857 -9.578 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 24 1.526 -8.932 -1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 24 1.286 -9.056 -3.137 1.00 0.00 H new ATOM 0 HG LEU A 24 2.461 -11.392 -2.858 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.952 -12.442 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.096 -11.090 -0.516 1.00 0.00 H new ATOM 0 HD13 LEU A 24 1.388 -10.873 -0.066 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.252 -12.418 -2.476 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -0.377 -10.848 -1.923 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.156 -11.049 -3.609 1.00 0.00 H new ATOM 359 N PHE A 25 2.882 -6.508 -2.450 1.00 0.00 N ATOM 360 CA PHE A 25 2.798 -5.146 -2.963 1.00 0.00 C ATOM 361 C PHE A 25 4.079 -4.763 -3.699 1.00 0.00 C ATOM 362 O PHE A 25 4.037 -4.196 -4.790 1.00 0.00 O ATOM 363 CB PHE A 25 2.539 -4.162 -1.822 1.00 0.00 C ATOM 364 CG PHE A 25 2.298 -2.754 -2.286 1.00 0.00 C ATOM 365 CD1 PHE A 25 1.342 -2.483 -3.251 1.00 0.00 C ATOM 366 CD2 PHE A 25 3.030 -1.702 -1.759 1.00 0.00 C ATOM 367 CE1 PHE A 25 1.118 -1.189 -3.681 1.00 0.00 C ATOM 368 CE2 PHE A 25 2.809 -0.406 -2.184 1.00 0.00 C ATOM 369 CZ PHE A 25 1.854 -0.149 -3.147 1.00 0.00 C ATOM 0 H PHE A 25 2.600 -6.609 -1.475 1.00 0.00 H new ATOM 0 HA PHE A 25 1.967 -5.101 -3.667 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.675 -4.500 -1.251 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.393 -4.171 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.765 -3.293 -3.672 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.781 -1.897 -1.008 1.00 0.00 H new ATOM 0 HE1 PHE A 25 0.369 -0.991 -4.433 1.00 0.00 H new ATOM 0 HE2 PHE A 25 3.383 0.406 -1.763 1.00 0.00 H new ATOM 0 HZ PHE A 25 1.683 0.863 -3.482 1.00 0.00 H new ATOM 379 N LYS A 26 5.219 -5.078 -3.093 1.00 0.00 N ATOM 380 CA LYS A 26 6.514 -4.770 -3.688 1.00 0.00 C ATOM 381 C LYS A 26 6.689 -5.498 -5.017 1.00 0.00 C ATOM 382 O LYS A 26 7.291 -4.968 -5.951 1.00 0.00 O ATOM 383 CB LYS A 26 7.643 -5.153 -2.730 1.00 0.00 C ATOM 384 CG LYS A 26 7.972 -4.074 -1.713 1.00 0.00 C ATOM 385 CD LYS A 26 9.099 -4.504 -0.788 1.00 0.00 C ATOM 386 CE LYS A 26 8.632 -5.557 0.206 1.00 0.00 C ATOM 387 NZ LYS A 26 9.675 -5.857 1.226 1.00 0.00 N ATOM 0 H LYS A 26 5.272 -5.547 -2.189 1.00 0.00 H new ATOM 0 HA LYS A 26 6.554 -3.697 -3.875 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.366 -6.065 -2.202 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.538 -5.379 -3.309 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.255 -3.158 -2.232 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.084 -3.845 -1.124 1.00 0.00 H new ATOM 0 HD2 LYS A 26 9.925 -4.900 -1.379 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.480 -3.637 -0.249 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.726 -5.211 0.704 1.00 0.00 H new ATOM 0 HE3 LYS A 26 8.373 -6.471 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.727 -6.885 1.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.597 -5.510 0.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 9.431 -5.387 2.121 1.00 0.00 H new ATOM 401 N SER A 27 6.160 -6.715 -5.094 1.00 0.00 N ATOM 402 CA SER A 27 6.261 -7.516 -6.307 1.00 0.00 C ATOM 403 C SER A 27 5.461 -6.886 -7.444 1.00 0.00 C ATOM 404 O SER A 27 5.922 -6.825 -8.584 1.00 0.00 O ATOM 405 CB SER A 27 5.764 -8.939 -6.046 1.00 0.00 C ATOM 406 OG SER A 27 6.818 -9.775 -5.601 1.00 0.00 O ATOM 0 H SER A 27 5.657 -7.167 -4.330 1.00 0.00 H new ATOM 0 HA SER A 27 7.310 -7.553 -6.602 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.971 -8.919 -5.298 1.00 0.00 H new ATOM 0 HB3 SER A 27 5.331 -9.349 -6.958 1.00 0.00 H new ATOM 0 HG SER A 27 7.568 -9.222 -5.298 1.00 0.00 H new ATOM 412 N LEU A 28 4.260 -6.418 -7.123 1.00 0.00 N ATOM 413 CA LEU A 28 3.393 -5.792 -8.116 1.00 0.00 C ATOM 414 C LEU A 28 3.973 -4.460 -8.583 1.00 0.00 C ATOM 415 O LEU A 28 3.883 -4.110 -9.760 1.00 0.00 O ATOM 416 CB LEU A 28 1.994 -5.576 -7.537 1.00 0.00 C ATOM 417 CG LEU A 28 1.315 -6.812 -6.946 1.00 0.00 C ATOM 418 CD1 LEU A 28 0.181 -6.405 -6.017 1.00 0.00 C ATOM 419 CD2 LEU A 28 0.799 -7.718 -8.054 1.00 0.00 C ATOM 0 H LEU A 28 3.864 -6.460 -6.184 1.00 0.00 H new ATOM 0 HA LEU A 28 3.325 -6.460 -8.975 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.058 -4.814 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.355 -5.176 -8.324 1.00 0.00 H new ATOM 0 HG LEU A 28 2.053 -7.365 -6.365 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -0.291 -7.298 -5.606 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.577 -5.797 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.557 -5.829 -6.575 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.319 -8.593 -7.615 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.076 -7.174 -8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.632 -8.038 -8.680 1.00 0.00 H new ATOM 431 N LEU A 29 4.572 -3.723 -7.653 1.00 0.00 N ATOM 432 CA LEU A 29 5.170 -2.431 -7.969 1.00 0.00 C ATOM 433 C LEU A 29 6.588 -2.604 -8.507 1.00 0.00 C ATOM 434 O LEU A 29 7.104 -1.737 -9.211 1.00 0.00 O ATOM 435 CB LEU A 29 5.189 -1.539 -6.726 1.00 0.00 C ATOM 436 CG LEU A 29 3.956 -0.661 -6.512 1.00 0.00 C ATOM 437 CD1 LEU A 29 3.870 0.412 -7.587 1.00 0.00 C ATOM 438 CD2 LEU A 29 2.693 -1.510 -6.501 1.00 0.00 C ATOM 0 H LEU A 29 4.656 -3.999 -6.675 1.00 0.00 H new ATOM 0 HA LEU A 29 4.564 -1.956 -8.741 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.315 -2.174 -5.849 1.00 0.00 H new ATOM 0 HB3 LEU A 29 6.065 -0.893 -6.780 1.00 0.00 H new ATOM 0 HG LEU A 29 4.048 -0.169 -5.544 1.00 0.00 H new ATOM 0 HD11 LEU A 29 2.986 1.027 -7.418 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.761 1.039 -7.547 1.00 0.00 H new ATOM 0 HD13 LEU A 29 3.802 -0.060 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.825 -0.869 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.596 -2.030 -7.454 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.752 -2.240 -5.694 1.00 0.00 H new ATOM 450 N ALA A 30 7.209 -3.730 -8.172 1.00 0.00 N ATOM 451 CA ALA A 30 8.564 -4.019 -8.624 1.00 0.00 C ATOM 452 C ALA A 30 8.810 -3.451 -10.018 1.00 0.00 C ATOM 453 O ALA A 30 9.794 -2.748 -10.248 1.00 0.00 O ATOM 454 CB ALA A 30 8.817 -5.519 -8.611 1.00 0.00 C ATOM 0 H ALA A 30 6.795 -4.457 -7.589 1.00 0.00 H new ATOM 0 HA ALA A 30 9.260 -3.539 -7.936 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.833 -5.720 -8.951 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.692 -5.900 -7.598 1.00 0.00 H new ATOM 0 HB3 ALA A 30 8.108 -6.013 -9.275 1.00 0.00 H new ATOM 460 N ARG A 31 7.908 -3.761 -10.945 1.00 0.00 N ATOM 461 CA ARG A 31 8.029 -3.282 -12.317 1.00 0.00 C ATOM 462 C ARG A 31 8.237 -1.771 -12.350 1.00 0.00 C ATOM 463 O ARG A 31 9.264 -1.286 -12.826 1.00 0.00 O ATOM 464 CB ARG A 31 6.782 -3.654 -13.120 1.00 0.00 C ATOM 465 CG ARG A 31 5.480 -3.336 -12.406 1.00 0.00 C ATOM 466 CD ARG A 31 4.389 -4.335 -12.762 1.00 0.00 C ATOM 467 NE ARG A 31 3.055 -3.757 -12.631 1.00 0.00 N ATOM 468 CZ ARG A 31 2.583 -2.807 -13.430 1.00 0.00 C ATOM 469 NH1 ARG A 31 3.335 -2.330 -14.413 1.00 0.00 N ATOM 470 NH2 ARG A 31 1.357 -2.332 -13.248 1.00 0.00 N ATOM 0 H ARG A 31 7.087 -4.341 -10.771 1.00 0.00 H new ATOM 0 HA ARG A 31 8.899 -3.760 -12.767 1.00 0.00 H new ATOM 0 HB2 ARG A 31 6.803 -3.125 -14.073 1.00 0.00 H new ATOM 0 HB3 ARG A 31 6.811 -4.720 -13.347 1.00 0.00 H new ATOM 0 HG2 ARG A 31 5.644 -3.344 -11.328 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.154 -2.330 -12.672 1.00 0.00 H new ATOM 0 HD2 ARG A 31 4.535 -4.682 -13.785 1.00 0.00 H new ATOM 0 HD3 ARG A 31 4.471 -5.208 -12.114 1.00 0.00 H new ATOM 0 HE ARG A 31 2.452 -4.102 -11.884 1.00 0.00 H new ATOM 0 HH11 ARG A 31 4.277 -2.693 -14.556 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.971 -1.600 -15.026 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.776 -2.697 -12.493 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.996 -1.602 -13.863 1.00 0.00 H new ATOM 484 N ASP A 32 7.256 -1.034 -11.841 1.00 0.00 N ATOM 485 CA ASP A 32 7.331 0.423 -11.813 1.00 0.00 C ATOM 486 C ASP A 32 8.476 0.890 -10.919 1.00 0.00 C ATOM 487 O ASP A 32 9.420 1.529 -11.385 1.00 0.00 O ATOM 488 CB ASP A 32 6.009 1.013 -11.319 1.00 0.00 C ATOM 489 CG ASP A 32 5.036 1.281 -12.451 1.00 0.00 C ATOM 490 OD1 ASP A 32 4.384 0.320 -12.912 1.00 0.00 O ATOM 491 OD2 ASP A 32 4.927 2.449 -12.877 1.00 0.00 O ATOM 0 H ASP A 32 6.400 -1.420 -11.443 1.00 0.00 H new ATOM 0 HA ASP A 32 7.520 0.773 -12.828 1.00 0.00 H new ATOM 0 HB2 ASP A 32 5.552 0.327 -10.606 1.00 0.00 H new ATOM 0 HB3 ASP A 32 6.206 1.943 -10.785 1.00 0.00 H new ATOM 496 N LEU A 33 8.385 0.568 -9.633 1.00 0.00 N ATOM 497 CA LEU A 33 9.413 0.956 -8.673 1.00 0.00 C ATOM 498 C LEU A 33 10.773 0.396 -9.076 1.00 0.00 C ATOM 499 O LEU A 33 11.802 0.778 -8.521 1.00 0.00 O ATOM 500 CB LEU A 33 9.041 0.467 -7.273 1.00 0.00 C ATOM 501 CG LEU A 33 7.867 1.180 -6.602 1.00 0.00 C ATOM 502 CD1 LEU A 33 7.631 0.623 -5.206 1.00 0.00 C ATOM 503 CD2 LEU A 33 8.117 2.680 -6.544 1.00 0.00 C ATOM 0 H LEU A 33 7.611 0.040 -9.231 1.00 0.00 H new ATOM 0 HA LEU A 33 9.477 2.044 -8.666 1.00 0.00 H new ATOM 0 HB2 LEU A 33 8.809 -0.596 -7.331 1.00 0.00 H new ATOM 0 HB3 LEU A 33 9.916 0.567 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 33 6.971 1.003 -7.198 1.00 0.00 H new ATOM 0 HD11 LEU A 33 6.792 1.143 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 33 7.407 -0.442 -5.272 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.525 0.768 -4.600 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.271 3.172 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.024 2.876 -5.972 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.235 3.069 -7.556 1.00 0.00 H new ATOM 515 N ASN A 34 10.769 -0.512 -10.047 1.00 0.00 N ATOM 516 CA ASN A 34 12.004 -1.124 -10.526 1.00 0.00 C ATOM 517 C ASN A 34 12.769 -1.776 -9.378 1.00 0.00 C ATOM 518 O ASN A 34 13.998 -1.718 -9.324 1.00 0.00 O ATOM 519 CB ASN A 34 12.885 -0.077 -11.210 1.00 0.00 C ATOM 520 CG ASN A 34 12.436 0.216 -12.630 1.00 0.00 C ATOM 521 OD1 ASN A 34 11.403 0.847 -12.848 1.00 0.00 O ATOM 522 ND2 ASN A 34 13.215 -0.244 -13.602 1.00 0.00 N ATOM 0 H ASN A 34 9.925 -0.840 -10.517 1.00 0.00 H new ATOM 0 HA ASN A 34 11.741 -1.896 -11.249 1.00 0.00 H new ATOM 0 HB2 ASN A 34 12.868 0.845 -10.629 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.917 -0.427 -11.223 1.00 0.00 H new ATOM 0 HD21 ASN A 34 12.965 -0.079 -14.577 1.00 0.00 H new ATOM 0 HD22 ASN A 34 14.063 -0.763 -13.374 1.00 0.00 H new ATOM 529 N LEU A 35 12.034 -2.395 -8.460 1.00 0.00 N ATOM 530 CA LEU A 35 12.643 -3.058 -7.313 1.00 0.00 C ATOM 531 C LEU A 35 13.418 -4.298 -7.748 1.00 0.00 C ATOM 532 O LEU A 35 13.496 -4.607 -8.937 1.00 0.00 O ATOM 533 CB LEU A 35 11.569 -3.446 -6.294 1.00 0.00 C ATOM 534 CG LEU A 35 10.650 -2.318 -5.826 1.00 0.00 C ATOM 535 CD1 LEU A 35 9.575 -2.857 -4.895 1.00 0.00 C ATOM 536 CD2 LEU A 35 11.455 -1.225 -5.138 1.00 0.00 C ATOM 0 H LEU A 35 11.016 -2.451 -8.488 1.00 0.00 H new ATOM 0 HA LEU A 35 13.341 -2.360 -6.850 1.00 0.00 H new ATOM 0 HB2 LEU A 35 10.953 -4.234 -6.728 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.062 -3.872 -5.420 1.00 0.00 H new ATOM 0 HG LEU A 35 10.162 -1.887 -6.700 1.00 0.00 H new ATOM 0 HD11 LEU A 35 8.930 -2.040 -4.572 1.00 0.00 H new ATOM 0 HD12 LEU A 35 8.979 -3.603 -5.421 1.00 0.00 H new ATOM 0 HD13 LEU A 35 10.044 -3.315 -4.024 1.00 0.00 H new ATOM 0 HD21 LEU A 35 10.784 -0.430 -4.811 1.00 0.00 H new ATOM 0 HD22 LEU A 35 11.971 -1.643 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 35 12.187 -0.818 -5.836 1.00 0.00 H new ATOM 548 N GLU A 36 13.988 -5.005 -6.777 1.00 0.00 N ATOM 549 CA GLU A 36 14.755 -6.211 -7.061 1.00 0.00 C ATOM 550 C GLU A 36 13.833 -7.372 -7.421 1.00 0.00 C ATOM 551 O GLU A 36 12.915 -7.704 -6.670 1.00 0.00 O ATOM 552 CB GLU A 36 15.621 -6.588 -5.857 1.00 0.00 C ATOM 553 CG GLU A 36 17.009 -5.972 -5.888 1.00 0.00 C ATOM 554 CD GLU A 36 17.024 -4.600 -6.534 1.00 0.00 C ATOM 555 OE1 GLU A 36 17.041 -4.532 -7.781 1.00 0.00 O ATOM 556 OE2 GLU A 36 17.021 -3.595 -5.793 1.00 0.00 O ATOM 0 H GLU A 36 13.933 -4.763 -5.788 1.00 0.00 H new ATOM 0 HA GLU A 36 15.401 -6.005 -7.914 1.00 0.00 H new ATOM 0 HB2 GLU A 36 15.114 -6.275 -4.944 1.00 0.00 H new ATOM 0 HB3 GLU A 36 15.715 -7.673 -5.814 1.00 0.00 H new ATOM 0 HG2 GLU A 36 17.391 -5.894 -4.870 1.00 0.00 H new ATOM 0 HG3 GLU A 36 17.684 -6.633 -6.432 1.00 0.00 H new ATOM 563 N ARG A 37 14.082 -7.984 -8.573 1.00 0.00 N ATOM 564 CA ARG A 37 13.273 -9.106 -9.034 1.00 0.00 C ATOM 565 C ARG A 37 12.775 -9.937 -7.855 1.00 0.00 C ATOM 566 O ARG A 37 11.580 -10.206 -7.733 1.00 0.00 O ATOM 567 CB ARG A 37 14.080 -9.987 -9.988 1.00 0.00 C ATOM 568 CG ARG A 37 13.986 -9.555 -11.442 1.00 0.00 C ATOM 569 CD ARG A 37 15.148 -10.097 -12.261 1.00 0.00 C ATOM 570 NE ARG A 37 15.294 -9.397 -13.534 1.00 0.00 N ATOM 571 CZ ARG A 37 14.446 -9.531 -14.548 1.00 0.00 C ATOM 572 NH1 ARG A 37 13.397 -10.335 -14.437 1.00 0.00 N ATOM 573 NH2 ARG A 37 14.646 -8.861 -15.675 1.00 0.00 N ATOM 0 H ARG A 37 14.838 -7.722 -9.205 1.00 0.00 H new ATOM 0 HA ARG A 37 12.409 -8.705 -9.565 1.00 0.00 H new ATOM 0 HB2 ARG A 37 15.126 -9.977 -9.682 1.00 0.00 H new ATOM 0 HB3 ARG A 37 13.732 -11.016 -9.900 1.00 0.00 H new ATOM 0 HG2 ARG A 37 13.045 -9.906 -11.867 1.00 0.00 H new ATOM 0 HG3 ARG A 37 13.976 -8.467 -11.499 1.00 0.00 H new ATOM 0 HD2 ARG A 37 16.070 -10.003 -11.688 1.00 0.00 H new ATOM 0 HD3 ARG A 37 14.995 -11.160 -12.447 1.00 0.00 H new ATOM 0 HE ARG A 37 16.091 -8.771 -13.651 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.240 -10.852 -13.572 1.00 0.00 H new ATOM 0 HH12 ARG A 37 12.747 -10.436 -15.217 1.00 0.00 H new ATOM 0 HH21 ARG A 37 15.452 -8.242 -15.764 1.00 0.00 H new ATOM 0 HH22 ARG A 37 13.994 -8.965 -16.453 1.00 0.00 H new ATOM 587 N ASP A 38 13.699 -10.340 -6.990 1.00 0.00 N ATOM 588 CA ASP A 38 13.355 -11.140 -5.821 1.00 0.00 C ATOM 589 C ASP A 38 13.936 -10.525 -4.551 1.00 0.00 C ATOM 590 O ASP A 38 13.398 -10.707 -3.459 1.00 0.00 O ATOM 591 CB ASP A 38 13.865 -12.571 -5.987 1.00 0.00 C ATOM 592 CG ASP A 38 13.543 -13.146 -7.353 1.00 0.00 C ATOM 593 OD1 ASP A 38 14.125 -12.667 -8.349 1.00 0.00 O ATOM 594 OD2 ASP A 38 12.709 -14.073 -7.426 1.00 0.00 O ATOM 0 H ASP A 38 14.692 -10.126 -7.077 1.00 0.00 H new ATOM 0 HA ASP A 38 12.269 -11.158 -5.731 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.944 -12.589 -5.834 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.423 -13.203 -5.217 1.00 0.00 H new ATOM 599 N ASN A 39 15.036 -9.795 -4.703 1.00 0.00 N ATOM 600 CA ASN A 39 15.691 -9.154 -3.568 1.00 0.00 C ATOM 601 C ASN A 39 14.929 -7.905 -3.135 1.00 0.00 C ATOM 602 O ASN A 39 15.525 -6.857 -2.889 1.00 0.00 O ATOM 603 CB ASN A 39 17.132 -8.788 -3.925 1.00 0.00 C ATOM 604 CG ASN A 39 18.054 -8.826 -2.722 1.00 0.00 C ATOM 605 OD1 ASN A 39 19.199 -9.270 -2.816 1.00 0.00 O ATOM 606 ND2 ASN A 39 17.558 -8.359 -1.582 1.00 0.00 N ATOM 0 H ASN A 39 15.493 -9.632 -5.600 1.00 0.00 H new ATOM 0 HA ASN A 39 15.698 -9.860 -2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 39 17.501 -9.477 -4.684 1.00 0.00 H new ATOM 0 HB3 ASN A 39 17.152 -7.790 -4.363 1.00 0.00 H new ATOM 0 HD21 ASN A 39 18.131 -8.359 -0.738 1.00 0.00 H new ATOM 0 HD22 ASN A 39 16.604 -8.000 -1.550 1.00 0.00 H new ATOM 613 N GLN A 40 13.609 -8.026 -3.043 1.00 0.00 N ATOM 614 CA GLN A 40 12.766 -6.908 -2.639 1.00 0.00 C ATOM 615 C GLN A 40 12.762 -6.748 -1.122 1.00 0.00 C ATOM 616 O GLN A 40 12.594 -5.645 -0.606 1.00 0.00 O ATOM 617 CB GLN A 40 11.337 -7.109 -3.146 1.00 0.00 C ATOM 618 CG GLN A 40 11.087 -6.506 -4.518 1.00 0.00 C ATOM 619 CD GLN A 40 10.041 -7.266 -5.309 1.00 0.00 C ATOM 620 OE1 GLN A 40 8.977 -7.603 -4.789 1.00 0.00 O ATOM 621 NE2 GLN A 40 10.338 -7.541 -6.574 1.00 0.00 N ATOM 0 H GLN A 40 13.100 -8.887 -3.243 1.00 0.00 H new ATOM 0 HA GLN A 40 13.176 -6.000 -3.080 1.00 0.00 H new ATOM 0 HB2 GLN A 40 11.120 -8.177 -3.183 1.00 0.00 H new ATOM 0 HB3 GLN A 40 10.642 -6.667 -2.432 1.00 0.00 H new ATOM 0 HG2 GLN A 40 10.768 -5.470 -4.402 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.021 -6.491 -5.079 1.00 0.00 H new ATOM 0 HE21 GLN A 40 11.232 -7.243 -6.964 1.00 0.00 H new ATOM 0 HE22 GLN A 40 9.672 -8.051 -7.155 1.00 0.00 H new ATOM 630 N GLU A 41 12.949 -7.858 -0.415 1.00 0.00 N ATOM 631 CA GLU A 41 12.965 -7.840 1.042 1.00 0.00 C ATOM 632 C GLU A 41 13.936 -6.784 1.563 1.00 0.00 C ATOM 633 O GLU A 41 13.650 -6.093 2.540 1.00 0.00 O ATOM 634 CB GLU A 41 13.353 -9.217 1.588 1.00 0.00 C ATOM 635 CG GLU A 41 12.823 -9.490 2.986 1.00 0.00 C ATOM 636 CD GLU A 41 13.475 -10.698 3.631 1.00 0.00 C ATOM 637 OE1 GLU A 41 14.713 -10.831 3.524 1.00 0.00 O ATOM 638 OE2 GLU A 41 12.749 -11.509 4.242 1.00 0.00 O ATOM 0 H GLU A 41 13.091 -8.780 -0.828 1.00 0.00 H new ATOM 0 HA GLU A 41 11.962 -7.589 1.387 1.00 0.00 H new ATOM 0 HB2 GLU A 41 12.980 -9.985 0.911 1.00 0.00 H new ATOM 0 HB3 GLU A 41 14.440 -9.301 1.598 1.00 0.00 H new ATOM 0 HG2 GLU A 41 12.991 -8.614 3.612 1.00 0.00 H new ATOM 0 HG3 GLU A 41 11.745 -9.646 2.938 1.00 0.00 H new ATOM 645 N GLN A 42 15.083 -6.667 0.902 1.00 0.00 N ATOM 646 CA GLN A 42 16.096 -5.696 1.299 1.00 0.00 C ATOM 647 C GLN A 42 15.476 -4.321 1.521 1.00 0.00 C ATOM 648 O GLN A 42 15.942 -3.546 2.357 1.00 0.00 O ATOM 649 CB GLN A 42 17.191 -5.607 0.234 1.00 0.00 C ATOM 650 CG GLN A 42 16.917 -4.564 -0.836 1.00 0.00 C ATOM 651 CD GLN A 42 18.080 -4.388 -1.792 1.00 0.00 C ATOM 652 OE1 GLN A 42 18.962 -3.557 -1.569 1.00 0.00 O ATOM 653 NE2 GLN A 42 18.089 -5.170 -2.865 1.00 0.00 N ATOM 0 H GLN A 42 15.334 -7.231 0.090 1.00 0.00 H new ATOM 0 HA GLN A 42 16.536 -6.032 2.238 1.00 0.00 H new ATOM 0 HB2 GLN A 42 18.140 -5.377 0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 42 17.304 -6.581 -0.241 1.00 0.00 H new ATOM 0 HG2 GLN A 42 16.029 -4.852 -1.399 1.00 0.00 H new ATOM 0 HG3 GLN A 42 16.696 -3.609 -0.359 1.00 0.00 H new ATOM 0 HE21 GLN A 42 17.338 -5.845 -3.011 1.00 0.00 H new ATOM 0 HE22 GLN A 42 18.847 -5.096 -3.544 1.00 0.00 H new ATOM 662 N TYR A 43 14.421 -4.024 0.768 1.00 0.00 N ATOM 663 CA TYR A 43 13.738 -2.741 0.882 1.00 0.00 C ATOM 664 C TYR A 43 12.839 -2.710 2.114 1.00 0.00 C ATOM 665 O TYR A 43 12.386 -3.749 2.594 1.00 0.00 O ATOM 666 CB TYR A 43 12.909 -2.468 -0.375 1.00 0.00 C ATOM 667 CG TYR A 43 13.746 -2.209 -1.607 1.00 0.00 C ATOM 668 CD1 TYR A 43 14.176 -0.924 -1.920 1.00 0.00 C ATOM 669 CD2 TYR A 43 14.105 -3.246 -2.458 1.00 0.00 C ATOM 670 CE1 TYR A 43 14.940 -0.682 -3.045 1.00 0.00 C ATOM 671 CE2 TYR A 43 14.870 -3.012 -3.585 1.00 0.00 C ATOM 672 CZ TYR A 43 15.285 -1.729 -3.874 1.00 0.00 C ATOM 673 OH TYR A 43 16.046 -1.492 -4.996 1.00 0.00 O ATOM 0 H TYR A 43 14.021 -4.654 0.073 1.00 0.00 H new ATOM 0 HA TYR A 43 14.494 -1.963 0.987 1.00 0.00 H new ATOM 0 HB2 TYR A 43 12.256 -3.321 -0.562 1.00 0.00 H new ATOM 0 HB3 TYR A 43 12.265 -1.607 -0.196 1.00 0.00 H new ATOM 0 HD1 TYR A 43 13.908 -0.102 -1.273 1.00 0.00 H new ATOM 0 HD2 TYR A 43 13.781 -4.252 -2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 43 15.266 0.322 -3.274 1.00 0.00 H new ATOM 0 HE2 TYR A 43 15.141 -3.830 -4.236 1.00 0.00 H new ATOM 0 HH TYR A 43 16.729 -2.190 -5.082 1.00 0.00 H new ATOM 683 N THR A 44 12.583 -1.508 2.623 1.00 0.00 N ATOM 684 CA THR A 44 11.740 -1.339 3.798 1.00 0.00 C ATOM 685 C THR A 44 10.521 -0.480 3.482 1.00 0.00 C ATOM 686 O THR A 44 10.574 0.402 2.624 1.00 0.00 O ATOM 687 CB THR A 44 12.519 -0.695 4.961 1.00 0.00 C ATOM 688 OG1 THR A 44 13.045 0.573 4.555 1.00 0.00 O ATOM 689 CG2 THR A 44 13.655 -1.599 5.418 1.00 0.00 C ATOM 0 H THR A 44 12.949 -0.637 2.238 1.00 0.00 H new ATOM 0 HA THR A 44 11.412 -2.335 4.097 1.00 0.00 H new ATOM 0 HB THR A 44 11.832 -0.552 5.795 1.00 0.00 H new ATOM 0 HG1 THR A 44 13.537 0.977 5.300 1.00 0.00 H new ATOM 0 HG21 THR A 44 14.191 -1.123 6.240 1.00 0.00 H new ATOM 0 HG22 THR A 44 13.248 -2.553 5.754 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.341 -1.769 4.588 1.00 0.00 H new ATOM 697 N THR A 45 9.420 -0.743 4.180 1.00 0.00 N ATOM 698 CA THR A 45 8.187 0.005 3.973 1.00 0.00 C ATOM 699 C THR A 45 8.477 1.469 3.664 1.00 0.00 C ATOM 700 O THR A 45 7.767 2.102 2.881 1.00 0.00 O ATOM 701 CB THR A 45 7.267 -0.076 5.205 1.00 0.00 C ATOM 702 OG1 THR A 45 7.993 0.290 6.383 1.00 0.00 O ATOM 703 CG2 THR A 45 6.700 -1.479 5.366 1.00 0.00 C ATOM 0 H THR A 45 9.358 -1.469 4.894 1.00 0.00 H new ATOM 0 HA THR A 45 7.681 -0.450 3.121 1.00 0.00 H new ATOM 0 HB THR A 45 6.439 0.618 5.060 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.486 0.962 6.884 1.00 0.00 H new ATOM 0 HG21 THR A 45 6.053 -1.512 6.243 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.123 -1.742 4.479 1.00 0.00 H new ATOM 0 HG23 THR A 45 7.517 -2.189 5.491 1.00 0.00 H new ATOM 711 N ILE A 46 9.525 2.003 4.284 1.00 0.00 N ATOM 712 CA ILE A 46 9.910 3.394 4.074 1.00 0.00 C ATOM 713 C ILE A 46 10.389 3.621 2.644 1.00 0.00 C ATOM 714 O ILE A 46 9.747 4.330 1.870 1.00 0.00 O ATOM 715 CB ILE A 46 11.020 3.824 5.050 1.00 0.00 C ATOM 716 CG1 ILE A 46 10.582 3.578 6.496 1.00 0.00 C ATOM 717 CG2 ILE A 46 11.371 5.289 4.839 1.00 0.00 C ATOM 718 CD1 ILE A 46 10.899 2.186 6.994 1.00 0.00 C ATOM 0 H ILE A 46 10.122 1.494 4.935 1.00 0.00 H new ATOM 0 HA ILE A 46 9.022 3.999 4.258 1.00 0.00 H new ATOM 0 HB ILE A 46 11.909 3.225 4.853 1.00 0.00 H new ATOM 0 HG12 ILE A 46 11.069 4.307 7.144 1.00 0.00 H new ATOM 0 HG13 ILE A 46 9.508 3.748 6.576 1.00 0.00 H new ATOM 0 HG21 ILE A 46 12.157 5.579 5.536 1.00 0.00 H new ATOM 0 HG22 ILE A 46 11.720 5.436 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 46 10.488 5.903 5.013 1.00 0.00 H new ATOM 0 HD11 ILE A 46 10.561 2.083 8.025 1.00 0.00 H new ATOM 0 HD12 ILE A 46 10.390 1.452 6.370 1.00 0.00 H new ATOM 0 HD13 ILE A 46 11.975 2.019 6.947 1.00 0.00 H new ATOM 730 N GLN A 47 11.519 3.013 2.301 1.00 0.00 N ATOM 731 CA GLN A 47 12.085 3.149 0.964 1.00 0.00 C ATOM 732 C GLN A 47 11.002 3.006 -0.101 1.00 0.00 C ATOM 733 O GLN A 47 10.989 3.741 -1.088 1.00 0.00 O ATOM 734 CB GLN A 47 13.178 2.102 0.741 1.00 0.00 C ATOM 735 CG GLN A 47 14.282 2.143 1.784 1.00 0.00 C ATOM 736 CD GLN A 47 15.427 3.054 1.387 1.00 0.00 C ATOM 737 OE1 GLN A 47 15.236 4.031 0.663 1.00 0.00 O ATOM 738 NE2 GLN A 47 16.627 2.739 1.862 1.00 0.00 N ATOM 0 H GLN A 47 12.061 2.421 2.930 1.00 0.00 H new ATOM 0 HA GLN A 47 12.523 4.144 0.881 1.00 0.00 H new ATOM 0 HB2 GLN A 47 12.725 1.110 0.742 1.00 0.00 H new ATOM 0 HB3 GLN A 47 13.616 2.251 -0.246 1.00 0.00 H new ATOM 0 HG2 GLN A 47 13.867 2.480 2.734 1.00 0.00 H new ATOM 0 HG3 GLN A 47 14.664 1.135 1.943 1.00 0.00 H new ATOM 0 HE21 GLN A 47 16.740 1.920 2.459 1.00 0.00 H new ATOM 0 HE22 GLN A 47 17.435 3.316 1.630 1.00 0.00 H new ATOM 747 N ILE A 48 10.097 2.056 0.106 1.00 0.00 N ATOM 748 CA ILE A 48 9.010 1.818 -0.836 1.00 0.00 C ATOM 749 C ILE A 48 8.001 2.960 -0.812 1.00 0.00 C ATOM 750 O ILE A 48 7.338 3.237 -1.810 1.00 0.00 O ATOM 751 CB ILE A 48 8.280 0.496 -0.531 1.00 0.00 C ATOM 752 CG1 ILE A 48 9.278 -0.662 -0.471 1.00 0.00 C ATOM 753 CG2 ILE A 48 7.212 0.227 -1.580 1.00 0.00 C ATOM 754 CD1 ILE A 48 10.177 -0.750 -1.684 1.00 0.00 C ATOM 0 H ILE A 48 10.095 1.438 0.918 1.00 0.00 H new ATOM 0 HA ILE A 48 9.460 1.755 -1.827 1.00 0.00 H new ATOM 0 HB ILE A 48 7.794 0.583 0.441 1.00 0.00 H new ATOM 0 HG12 ILE A 48 9.895 -0.553 0.421 1.00 0.00 H new ATOM 0 HG13 ILE A 48 8.730 -1.598 -0.367 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.705 -0.710 -1.351 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.487 1.041 -1.579 1.00 0.00 H new ATOM 0 HG23 ILE A 48 7.677 0.157 -2.563 1.00 0.00 H new ATOM 0 HD11 ILE A 48 10.858 -1.594 -1.572 1.00 0.00 H new ATOM 0 HD12 ILE A 48 9.569 -0.891 -2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 48 10.753 0.171 -1.778 1.00 0.00 H new ATOM 766 N ALA A 49 7.892 3.622 0.336 1.00 0.00 N ATOM 767 CA ALA A 49 6.968 4.738 0.490 1.00 0.00 C ATOM 768 C ALA A 49 7.528 6.006 -0.143 1.00 0.00 C ATOM 769 O ALA A 49 6.837 6.695 -0.892 1.00 0.00 O ATOM 770 CB ALA A 49 6.661 4.970 1.962 1.00 0.00 C ATOM 0 H ALA A 49 8.433 3.404 1.173 1.00 0.00 H new ATOM 0 HA ALA A 49 6.042 4.485 -0.027 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.970 5.807 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 49 6.209 4.073 2.385 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.584 5.197 2.495 1.00 0.00 H new ATOM 776 N ASN A 50 8.785 6.310 0.166 1.00 0.00 N ATOM 777 CA ASN A 50 9.438 7.498 -0.372 1.00 0.00 C ATOM 778 C ASN A 50 9.526 7.428 -1.894 1.00 0.00 C ATOM 779 O ASN A 50 9.279 8.416 -2.585 1.00 0.00 O ATOM 780 CB ASN A 50 10.839 7.650 0.224 1.00 0.00 C ATOM 781 CG ASN A 50 10.805 7.979 1.704 1.00 0.00 C ATOM 782 OD1 ASN A 50 10.680 9.142 2.089 1.00 0.00 O ATOM 783 ND2 ASN A 50 10.915 6.955 2.541 1.00 0.00 N ATOM 0 H ASN A 50 9.371 5.750 0.786 1.00 0.00 H new ATOM 0 HA ASN A 50 8.838 8.366 -0.099 1.00 0.00 H new ATOM 0 HB2 ASN A 50 11.397 6.726 0.073 1.00 0.00 H new ATOM 0 HB3 ASN A 50 11.374 8.437 -0.308 1.00 0.00 H new ATOM 0 HD21 ASN A 50 10.898 7.115 3.548 1.00 0.00 H new ATOM 0 HD22 ASN A 50 11.017 6.008 2.177 1.00 0.00 H new ATOM 790 N MET A 51 9.879 6.255 -2.408 1.00 0.00 N ATOM 791 CA MET A 51 9.997 6.056 -3.848 1.00 0.00 C ATOM 792 C MET A 51 8.667 6.323 -4.545 1.00 0.00 C ATOM 793 O MET A 51 8.617 7.010 -5.565 1.00 0.00 O ATOM 794 CB MET A 51 10.469 4.633 -4.151 1.00 0.00 C ATOM 795 CG MET A 51 11.981 4.495 -4.218 1.00 0.00 C ATOM 796 SD MET A 51 12.507 3.124 -5.264 1.00 0.00 S ATOM 797 CE MET A 51 12.605 1.799 -4.062 1.00 0.00 C ATOM 0 H MET A 51 10.088 5.428 -1.849 1.00 0.00 H new ATOM 0 HA MET A 51 10.734 6.764 -4.228 1.00 0.00 H new ATOM 0 HB2 MET A 51 10.085 3.961 -3.384 1.00 0.00 H new ATOM 0 HB3 MET A 51 10.041 4.311 -5.100 1.00 0.00 H new ATOM 0 HG2 MET A 51 12.410 5.422 -4.598 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.374 4.351 -3.212 1.00 0.00 H new ATOM 0 HE1 MET A 51 13.133 0.951 -4.498 1.00 0.00 H new ATOM 0 HE2 MET A 51 13.143 2.147 -3.180 1.00 0.00 H new ATOM 0 HE3 MET A 51 11.599 1.492 -3.776 1.00 0.00 H new ATOM 807 N MET A 52 7.592 5.775 -3.988 1.00 0.00 N ATOM 808 CA MET A 52 6.261 5.955 -4.557 1.00 0.00 C ATOM 809 C MET A 52 5.813 7.408 -4.442 1.00 0.00 C ATOM 810 O MET A 52 5.264 7.974 -5.387 1.00 0.00 O ATOM 811 CB MET A 52 5.255 5.042 -3.853 1.00 0.00 C ATOM 812 CG MET A 52 5.332 3.592 -4.303 1.00 0.00 C ATOM 813 SD MET A 52 3.896 2.629 -3.791 1.00 0.00 S ATOM 814 CE MET A 52 2.947 2.605 -5.310 1.00 0.00 C ATOM 0 H MET A 52 7.616 5.203 -3.144 1.00 0.00 H new ATOM 0 HA MET A 52 6.305 5.689 -5.613 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.424 5.090 -2.777 1.00 0.00 H new ATOM 0 HB3 MET A 52 4.248 5.417 -4.034 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.420 3.557 -5.389 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.234 3.136 -3.895 1.00 0.00 H new ATOM 0 HE1 MET A 52 2.141 1.877 -5.224 1.00 0.00 H new ATOM 0 HE2 MET A 52 2.525 3.594 -5.491 1.00 0.00 H new ATOM 0 HE3 MET A 52 3.597 2.330 -6.141 1.00 0.00 H new ATOM 824 N GLU A 53 6.050 8.007 -3.279 1.00 0.00 N ATOM 825 CA GLU A 53 5.669 9.394 -3.042 1.00 0.00 C ATOM 826 C GLU A 53 5.959 10.254 -4.268 1.00 0.00 C ATOM 827 O GLU A 53 5.181 11.142 -4.614 1.00 0.00 O ATOM 828 CB GLU A 53 6.415 9.951 -1.827 1.00 0.00 C ATOM 829 CG GLU A 53 5.719 9.671 -0.505 1.00 0.00 C ATOM 830 CD GLU A 53 6.623 9.901 0.690 1.00 0.00 C ATOM 831 OE1 GLU A 53 7.036 11.058 0.909 1.00 0.00 O ATOM 832 OE2 GLU A 53 6.918 8.921 1.407 1.00 0.00 O ATOM 0 H GLU A 53 6.504 7.553 -2.486 1.00 0.00 H new ATOM 0 HA GLU A 53 4.597 9.421 -2.845 1.00 0.00 H new ATOM 0 HB2 GLU A 53 7.417 9.523 -1.798 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.532 11.028 -1.945 1.00 0.00 H new ATOM 0 HG2 GLU A 53 4.840 10.310 -0.419 1.00 0.00 H new ATOM 0 HG3 GLU A 53 5.366 8.640 -0.496 1.00 0.00 H new ATOM 839 N GLU A 54 7.085 9.983 -4.921 1.00 0.00 N ATOM 840 CA GLU A 54 7.479 10.735 -6.108 1.00 0.00 C ATOM 841 C GLU A 54 7.018 10.025 -7.377 1.00 0.00 C ATOM 842 O GLU A 54 6.454 10.645 -8.280 1.00 0.00 O ATOM 843 CB GLU A 54 8.997 10.925 -6.139 1.00 0.00 C ATOM 844 CG GLU A 54 9.560 11.525 -4.861 1.00 0.00 C ATOM 845 CD GLU A 54 10.812 12.346 -5.106 1.00 0.00 C ATOM 846 OE1 GLU A 54 11.919 11.768 -5.068 1.00 0.00 O ATOM 847 OE2 GLU A 54 10.685 13.566 -5.337 1.00 0.00 O ATOM 0 H GLU A 54 7.740 9.250 -4.649 1.00 0.00 H new ATOM 0 HA GLU A 54 7.000 11.713 -6.064 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.472 9.960 -6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.257 11.569 -6.979 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.802 12.155 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 54 9.787 10.724 -4.157 1.00 0.00 H new ATOM 854 N LYS A 55 7.264 8.720 -7.442 1.00 0.00 N ATOM 855 CA LYS A 55 6.875 7.923 -8.600 1.00 0.00 C ATOM 856 C LYS A 55 5.474 8.298 -9.072 1.00 0.00 C ATOM 857 O LYS A 55 5.265 8.605 -10.245 1.00 0.00 O ATOM 858 CB LYS A 55 6.929 6.433 -8.259 1.00 0.00 C ATOM 859 CG LYS A 55 6.882 5.529 -9.480 1.00 0.00 C ATOM 860 CD LYS A 55 8.120 5.697 -10.345 1.00 0.00 C ATOM 861 CE LYS A 55 8.088 4.768 -11.549 1.00 0.00 C ATOM 862 NZ LYS A 55 9.107 5.145 -12.569 1.00 0.00 N ATOM 0 H LYS A 55 7.732 8.192 -6.705 1.00 0.00 H new ATOM 0 HA LYS A 55 7.578 8.130 -9.407 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.843 6.229 -7.701 1.00 0.00 H new ATOM 0 HB3 LYS A 55 6.094 6.188 -7.603 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.797 4.490 -9.162 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.993 5.756 -10.068 1.00 0.00 H new ATOM 0 HD2 LYS A 55 8.191 6.731 -10.683 1.00 0.00 H new ATOM 0 HD3 LYS A 55 9.011 5.494 -9.751 1.00 0.00 H new ATOM 0 HE2 LYS A 55 8.264 3.743 -11.222 1.00 0.00 H new ATOM 0 HE3 LYS A 55 7.096 4.793 -12.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 9.053 4.488 -13.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 8.925 6.114 -12.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 10.056 5.097 -12.146 1.00 0.00 H new ATOM 876 N PHE A 56 4.517 8.272 -8.150 1.00 0.00 N ATOM 877 CA PHE A 56 3.135 8.609 -8.471 1.00 0.00 C ATOM 878 C PHE A 56 2.668 9.818 -7.667 1.00 0.00 C ATOM 879 O PHE A 56 2.107 9.692 -6.579 1.00 0.00 O ATOM 880 CB PHE A 56 2.219 7.414 -8.196 1.00 0.00 C ATOM 881 CG PHE A 56 2.836 6.092 -8.550 1.00 0.00 C ATOM 882 CD1 PHE A 56 3.723 5.473 -7.684 1.00 0.00 C ATOM 883 CD2 PHE A 56 2.530 5.467 -9.748 1.00 0.00 C ATOM 884 CE1 PHE A 56 4.293 4.255 -8.006 1.00 0.00 C ATOM 885 CE2 PHE A 56 3.095 4.249 -10.075 1.00 0.00 C ATOM 886 CZ PHE A 56 3.980 3.643 -9.204 1.00 0.00 C ATOM 0 H PHE A 56 4.674 8.021 -7.174 1.00 0.00 H new ATOM 0 HA PHE A 56 3.086 8.860 -9.531 1.00 0.00 H new ATOM 0 HB2 PHE A 56 1.949 7.409 -7.140 1.00 0.00 H new ATOM 0 HB3 PHE A 56 1.295 7.537 -8.761 1.00 0.00 H new ATOM 0 HD1 PHE A 56 3.972 5.947 -6.746 1.00 0.00 H new ATOM 0 HD2 PHE A 56 1.842 5.937 -10.435 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.982 3.783 -7.322 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.845 3.771 -11.011 1.00 0.00 H new ATOM 0 HZ PHE A 56 4.426 2.693 -9.459 1.00 0.00 H new ATOM 896 N PRO A 57 2.906 11.019 -8.214 1.00 0.00 N ATOM 897 CA PRO A 57 2.519 12.275 -7.564 1.00 0.00 C ATOM 898 C PRO A 57 1.007 12.475 -7.543 1.00 0.00 C ATOM 899 O PRO A 57 0.508 13.451 -6.985 1.00 0.00 O ATOM 900 CB PRO A 57 3.186 13.344 -8.433 1.00 0.00 C ATOM 901 CG PRO A 57 3.336 12.706 -9.771 1.00 0.00 C ATOM 902 CD PRO A 57 3.570 11.245 -9.509 1.00 0.00 C ATOM 0 HA PRO A 57 2.825 12.303 -6.518 1.00 0.00 H new ATOM 0 HB2 PRO A 57 2.575 14.245 -8.490 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.153 13.639 -8.025 1.00 0.00 H new ATOM 0 HG2 PRO A 57 2.442 12.856 -10.377 1.00 0.00 H new ATOM 0 HG3 PRO A 57 4.170 13.143 -10.320 1.00 0.00 H new ATOM 0 HD2 PRO A 57 3.141 10.622 -10.294 1.00 0.00 H new ATOM 0 HD3 PRO A 57 4.633 11.011 -9.461 1.00 0.00 H new ATOM 910 N ALA A 58 0.283 11.542 -8.154 1.00 0.00 N ATOM 911 CA ALA A 58 -1.172 11.616 -8.203 1.00 0.00 C ATOM 912 C ALA A 58 -1.791 11.122 -6.899 1.00 0.00 C ATOM 913 O ALA A 58 -2.532 11.849 -6.239 1.00 0.00 O ATOM 914 CB ALA A 58 -1.701 10.808 -9.380 1.00 0.00 C ATOM 0 H ALA A 58 0.680 10.727 -8.621 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.455 12.660 -8.336 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.789 10.871 -9.405 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -1.293 11.207 -10.308 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.401 9.766 -9.270 1.00 0.00 H new ATOM 920 N ASP A 59 -1.480 9.882 -6.536 1.00 0.00 N ATOM 921 CA ASP A 59 -2.006 9.291 -5.310 1.00 0.00 C ATOM 922 C ASP A 59 -0.873 8.787 -4.421 1.00 0.00 C ATOM 923 O ASP A 59 -1.060 7.872 -3.621 1.00 0.00 O ATOM 924 CB ASP A 59 -2.961 8.144 -5.640 1.00 0.00 C ATOM 925 CG ASP A 59 -2.248 6.954 -6.252 1.00 0.00 C ATOM 926 OD1 ASP A 59 -1.139 6.622 -5.785 1.00 0.00 O ATOM 927 OD2 ASP A 59 -2.800 6.355 -7.200 1.00 0.00 O ATOM 0 H ASP A 59 -0.867 9.267 -7.072 1.00 0.00 H new ATOM 0 HA ASP A 59 -2.553 10.063 -4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.473 7.829 -4.731 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -3.726 8.499 -6.330 1.00 0.00 H new ATOM 932 N SER A 60 0.303 9.389 -4.570 1.00 0.00 N ATOM 933 CA SER A 60 1.467 8.997 -3.785 1.00 0.00 C ATOM 934 C SER A 60 1.523 7.481 -3.616 1.00 0.00 C ATOM 935 O SER A 60 2.021 6.976 -2.611 1.00 0.00 O ATOM 936 CB SER A 60 1.434 9.674 -2.413 1.00 0.00 C ATOM 937 OG SER A 60 0.218 9.401 -1.739 1.00 0.00 O ATOM 0 H SER A 60 0.474 10.150 -5.227 1.00 0.00 H new ATOM 0 HA SER A 60 2.361 9.319 -4.320 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.273 9.325 -1.811 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.554 10.751 -2.532 1.00 0.00 H new ATOM 0 HG SER A 60 0.222 9.843 -0.865 1.00 0.00 H new ATOM 943 N GLY A 61 1.008 6.762 -4.608 1.00 0.00 N ATOM 944 CA GLY A 61 1.009 5.312 -4.551 1.00 0.00 C ATOM 945 C GLY A 61 -0.172 4.761 -3.777 1.00 0.00 C ATOM 946 O GLY A 61 -0.598 3.629 -4.003 1.00 0.00 O ATOM 0 H GLY A 61 0.590 7.158 -5.450 1.00 0.00 H new ATOM 0 HA2 GLY A 61 0.994 4.912 -5.565 1.00 0.00 H new ATOM 0 HA3 GLY A 61 1.934 4.970 -4.087 1.00 0.00 H new ATOM 950 N LEU A 62 -0.701 5.563 -2.860 1.00 0.00 N ATOM 951 CA LEU A 62 -1.839 5.149 -2.047 1.00 0.00 C ATOM 952 C LEU A 62 -2.839 4.351 -2.877 1.00 0.00 C ATOM 953 O LEU A 62 -3.286 3.280 -2.468 1.00 0.00 O ATOM 954 CB LEU A 62 -2.527 6.373 -1.437 1.00 0.00 C ATOM 955 CG LEU A 62 -3.905 6.129 -0.821 1.00 0.00 C ATOM 956 CD1 LEU A 62 -3.814 5.109 0.304 1.00 0.00 C ATOM 957 CD2 LEU A 62 -4.500 7.435 -0.313 1.00 0.00 C ATOM 0 H LEU A 62 -0.360 6.504 -2.661 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.469 4.510 -1.245 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.875 6.786 -0.667 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.627 7.133 -2.212 1.00 0.00 H new ATOM 0 HG LEU A 62 -4.562 5.729 -1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.804 4.948 0.730 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.431 4.167 -0.089 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.142 5.480 1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -5.481 7.243 0.122 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -3.844 7.863 0.445 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -4.602 8.135 -1.142 1.00 0.00 H new ATOM 969 N GLY A 63 -3.186 4.879 -4.048 1.00 0.00 N ATOM 970 CA GLY A 63 -4.128 4.201 -4.917 1.00 0.00 C ATOM 971 C GLY A 63 -3.708 2.779 -5.230 1.00 0.00 C ATOM 972 O GLY A 63 -4.470 1.836 -5.011 1.00 0.00 O ATOM 0 H GLY A 63 -2.831 5.764 -4.409 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -5.110 4.191 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -4.227 4.760 -5.847 1.00 0.00 H new ATOM 976 N LYS A 64 -2.494 2.621 -5.746 1.00 0.00 N ATOM 977 CA LYS A 64 -1.973 1.304 -6.091 1.00 0.00 C ATOM 978 C LYS A 64 -2.073 0.352 -4.903 1.00 0.00 C ATOM 979 O LYS A 64 -2.284 -0.850 -5.073 1.00 0.00 O ATOM 980 CB LYS A 64 -0.518 1.412 -6.550 1.00 0.00 C ATOM 981 CG LYS A 64 -0.118 0.349 -7.560 1.00 0.00 C ATOM 982 CD LYS A 64 -0.828 0.547 -8.889 1.00 0.00 C ATOM 983 CE LYS A 64 -0.091 -0.148 -10.023 1.00 0.00 C ATOM 984 NZ LYS A 64 -0.559 0.319 -11.357 1.00 0.00 N ATOM 0 H LYS A 64 -1.851 3.390 -5.935 1.00 0.00 H new ATOM 0 HA LYS A 64 -2.576 0.905 -6.907 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -0.356 2.397 -6.988 1.00 0.00 H new ATOM 0 HB3 LYS A 64 0.135 1.339 -5.680 1.00 0.00 H new ATOM 0 HG2 LYS A 64 0.961 0.380 -7.715 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -0.355 -0.638 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -1.844 0.158 -8.822 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -0.908 1.612 -9.105 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.979 0.037 -9.928 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -0.236 -1.225 -9.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -0.032 -0.178 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.575 0.119 -11.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -0.397 1.343 -11.443 1.00 0.00 H new ATOM 998 N LEU A 65 -1.922 0.895 -3.701 1.00 0.00 N ATOM 999 CA LEU A 65 -1.996 0.095 -2.483 1.00 0.00 C ATOM 1000 C LEU A 65 -3.436 -0.309 -2.184 1.00 0.00 C ATOM 1001 O LEU A 65 -3.726 -1.482 -1.948 1.00 0.00 O ATOM 1002 CB LEU A 65 -1.415 0.872 -1.301 1.00 0.00 C ATOM 1003 CG LEU A 65 -1.229 0.082 -0.005 1.00 0.00 C ATOM 1004 CD1 LEU A 65 -2.569 -0.151 0.675 1.00 0.00 C ATOM 1005 CD2 LEU A 65 -0.533 -1.242 -0.282 1.00 0.00 C ATOM 0 H LEU A 65 -1.747 1.887 -3.543 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.409 -0.810 -2.637 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.448 1.277 -1.598 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -2.066 1.721 -1.095 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.600 0.667 0.667 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -2.417 -0.715 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.030 0.809 0.909 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.222 -0.714 0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.409 -1.790 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.136 -1.832 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.445 -1.053 -0.724 1.00 0.00 H new ATOM 1017 N ILE A 66 -4.334 0.671 -2.198 1.00 0.00 N ATOM 1018 CA ILE A 66 -5.744 0.417 -1.931 1.00 0.00 C ATOM 1019 C ILE A 66 -6.261 -0.748 -2.768 1.00 0.00 C ATOM 1020 O ILE A 66 -6.885 -1.671 -2.246 1.00 0.00 O ATOM 1021 CB ILE A 66 -6.604 1.662 -2.219 1.00 0.00 C ATOM 1022 CG1 ILE A 66 -6.412 2.707 -1.116 1.00 0.00 C ATOM 1023 CG2 ILE A 66 -8.070 1.276 -2.341 1.00 0.00 C ATOM 1024 CD1 ILE A 66 -6.860 4.095 -1.516 1.00 0.00 C ATOM 0 H ILE A 66 -4.110 1.647 -2.391 1.00 0.00 H new ATOM 0 HA ILE A 66 -5.825 0.166 -0.873 1.00 0.00 H new ATOM 0 HB ILE A 66 -6.283 2.097 -3.166 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -6.967 2.396 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -5.359 2.740 -0.837 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.665 2.166 -2.544 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -8.192 0.564 -3.157 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -8.405 0.821 -1.409 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -6.695 4.784 -0.687 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -6.288 4.426 -2.382 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -7.921 4.077 -1.767 1.00 0.00 H new ATOM 1036 N GLU A 67 -5.996 -0.699 -4.070 1.00 0.00 N ATOM 1037 CA GLU A 67 -6.434 -1.751 -4.978 1.00 0.00 C ATOM 1038 C GLU A 67 -5.890 -3.109 -4.542 1.00 0.00 C ATOM 1039 O GLU A 67 -6.609 -4.108 -4.544 1.00 0.00 O ATOM 1040 CB GLU A 67 -5.980 -1.444 -6.408 1.00 0.00 C ATOM 1041 CG GLU A 67 -6.680 -0.243 -7.023 1.00 0.00 C ATOM 1042 CD GLU A 67 -6.584 -0.226 -8.536 1.00 0.00 C ATOM 1043 OE1 GLU A 67 -6.583 -1.317 -9.145 1.00 0.00 O ATOM 1044 OE2 GLU A 67 -6.509 0.880 -9.113 1.00 0.00 O ATOM 0 H GLU A 67 -5.480 0.058 -4.519 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.523 -1.789 -4.949 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -4.904 -1.267 -6.409 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.160 -2.319 -7.033 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -7.730 -0.249 -6.729 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.242 0.672 -6.624 1.00 0.00 H new ATOM 1051 N PHE A 68 -4.615 -3.136 -4.167 1.00 0.00 N ATOM 1052 CA PHE A 68 -3.974 -4.370 -3.729 1.00 0.00 C ATOM 1053 C PHE A 68 -4.755 -5.014 -2.589 1.00 0.00 C ATOM 1054 O PHE A 68 -4.789 -6.238 -2.458 1.00 0.00 O ATOM 1055 CB PHE A 68 -2.536 -4.092 -3.285 1.00 0.00 C ATOM 1056 CG PHE A 68 -1.923 -5.217 -2.501 1.00 0.00 C ATOM 1057 CD1 PHE A 68 -1.444 -6.347 -3.145 1.00 0.00 C ATOM 1058 CD2 PHE A 68 -1.825 -5.146 -1.121 1.00 0.00 C ATOM 1059 CE1 PHE A 68 -0.879 -7.384 -2.428 1.00 0.00 C ATOM 1060 CE2 PHE A 68 -1.260 -6.180 -0.398 1.00 0.00 C ATOM 1061 CZ PHE A 68 -0.788 -7.301 -1.053 1.00 0.00 C ATOM 0 H PHE A 68 -4.006 -2.318 -4.158 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.960 -5.062 -4.571 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -1.924 -3.897 -4.165 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -2.520 -3.186 -2.679 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.513 -6.418 -4.220 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.194 -4.273 -0.604 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.509 -8.258 -2.943 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -1.188 -6.112 0.677 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.348 -8.111 -0.490 1.00 0.00 H new ATOM 1071 N CYS A 69 -5.382 -4.181 -1.764 1.00 0.00 N ATOM 1072 CA CYS A 69 -6.162 -4.669 -0.633 1.00 0.00 C ATOM 1073 C CYS A 69 -7.510 -5.212 -1.097 1.00 0.00 C ATOM 1074 O CYS A 69 -7.993 -6.222 -0.584 1.00 0.00 O ATOM 1075 CB CYS A 69 -6.375 -3.549 0.387 1.00 0.00 C ATOM 1076 SG CYS A 69 -4.842 -2.855 1.051 1.00 0.00 S ATOM 0 H CYS A 69 -5.365 -3.165 -1.858 1.00 0.00 H new ATOM 0 HA CYS A 69 -5.606 -5.479 -0.162 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -6.950 -2.750 -0.081 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -6.975 -3.933 1.212 1.00 0.00 H new ATOM 0 HG CYS A 69 -5.125 -1.914 1.903 1.00 0.00 H new ATOM 1082 N GLU A 70 -8.114 -4.535 -2.068 1.00 0.00 N ATOM 1083 CA GLU A 70 -9.407 -4.949 -2.598 1.00 0.00 C ATOM 1084 C GLU A 70 -9.380 -6.418 -3.011 1.00 0.00 C ATOM 1085 O GLU A 70 -10.216 -7.210 -2.576 1.00 0.00 O ATOM 1086 CB GLU A 70 -9.795 -4.079 -3.796 1.00 0.00 C ATOM 1087 CG GLU A 70 -10.098 -2.637 -3.427 1.00 0.00 C ATOM 1088 CD GLU A 70 -10.582 -1.821 -4.611 1.00 0.00 C ATOM 1089 OE1 GLU A 70 -9.802 -1.647 -5.570 1.00 0.00 O ATOM 1090 OE2 GLU A 70 -11.741 -1.358 -4.577 1.00 0.00 O ATOM 0 H GLU A 70 -7.728 -3.697 -2.504 1.00 0.00 H new ATOM 0 HA GLU A 70 -10.150 -4.823 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -8.985 -4.096 -4.525 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -10.669 -4.513 -4.281 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -10.855 -2.618 -2.643 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -9.201 -2.175 -3.015 1.00 0.00 H new ATOM 1097 N GLU A 71 -8.416 -6.774 -3.853 1.00 0.00 N ATOM 1098 CA GLU A 71 -8.280 -8.146 -4.325 1.00 0.00 C ATOM 1099 C GLU A 71 -8.318 -9.129 -3.158 1.00 0.00 C ATOM 1100 O GLU A 71 -8.651 -10.302 -3.329 1.00 0.00 O ATOM 1101 CB GLU A 71 -6.977 -8.315 -5.107 1.00 0.00 C ATOM 1102 CG GLU A 71 -5.797 -8.727 -4.242 1.00 0.00 C ATOM 1103 CD GLU A 71 -4.508 -8.845 -5.032 1.00 0.00 C ATOM 1104 OE1 GLU A 71 -3.848 -7.809 -5.251 1.00 0.00 O ATOM 1105 OE2 GLU A 71 -4.160 -9.977 -5.431 1.00 0.00 O ATOM 0 H GLU A 71 -7.717 -6.130 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 71 -9.120 -8.360 -4.986 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -7.125 -9.063 -5.886 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.739 -7.377 -5.608 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -5.664 -7.997 -3.444 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.016 -9.683 -3.766 1.00 0.00 H new ATOM 1112 N VAL A 72 -7.971 -8.641 -1.971 1.00 0.00 N ATOM 1113 CA VAL A 72 -7.964 -9.476 -0.775 1.00 0.00 C ATOM 1114 C VAL A 72 -9.103 -9.097 0.166 1.00 0.00 C ATOM 1115 O VAL A 72 -9.306 -7.930 0.498 1.00 0.00 O ATOM 1116 CB VAL A 72 -6.628 -9.360 -0.017 1.00 0.00 C ATOM 1117 CG1 VAL A 72 -6.473 -10.505 0.971 1.00 0.00 C ATOM 1118 CG2 VAL A 72 -5.464 -9.325 -0.994 1.00 0.00 C ATOM 0 H VAL A 72 -7.691 -7.673 -1.812 1.00 0.00 H new ATOM 0 HA VAL A 72 -8.097 -10.506 -1.107 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.628 -8.426 0.545 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.523 -10.406 1.497 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -7.291 -10.478 1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -6.493 -11.454 0.435 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -4.528 -9.243 -0.442 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.457 -10.241 -1.585 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.571 -8.466 -1.657 1.00 0.00 H new ATOM 1128 N PRO A 73 -9.868 -10.108 0.605 1.00 0.00 N ATOM 1129 CA PRO A 73 -11.000 -9.906 1.514 1.00 0.00 C ATOM 1130 C PRO A 73 -10.554 -9.504 2.916 1.00 0.00 C ATOM 1131 O PRO A 73 -11.274 -8.808 3.631 1.00 0.00 O ATOM 1132 CB PRO A 73 -11.681 -11.278 1.542 1.00 0.00 C ATOM 1133 CG PRO A 73 -10.599 -12.244 1.202 1.00 0.00 C ATOM 1134 CD PRO A 73 -9.685 -11.525 0.250 1.00 0.00 C ATOM 0 HA PRO A 73 -11.651 -9.098 1.181 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -12.106 -11.489 2.523 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -12.498 -11.329 0.823 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -10.061 -12.558 2.097 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -11.009 -13.144 0.744 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -8.649 -11.839 0.373 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -9.955 -11.717 -0.788 1.00 0.00 H new ATOM 1142 N ALA A 74 -9.362 -9.948 3.302 1.00 0.00 N ATOM 1143 CA ALA A 74 -8.819 -9.632 4.618 1.00 0.00 C ATOM 1144 C ALA A 74 -8.221 -8.230 4.642 1.00 0.00 C ATOM 1145 O ALA A 74 -7.944 -7.681 5.709 1.00 0.00 O ATOM 1146 CB ALA A 74 -7.773 -10.662 5.018 1.00 0.00 C ATOM 0 H ALA A 74 -8.754 -10.527 2.723 1.00 0.00 H new ATOM 0 HA ALA A 74 -9.636 -9.662 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.376 -10.414 6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -8.230 -11.651 5.050 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.963 -10.660 4.289 1.00 0.00 H new ATOM 1152 N LEU A 75 -8.023 -7.657 3.461 1.00 0.00 N ATOM 1153 CA LEU A 75 -7.455 -6.317 3.347 1.00 0.00 C ATOM 1154 C LEU A 75 -8.526 -5.305 2.952 1.00 0.00 C ATOM 1155 O LEU A 75 -8.371 -4.104 3.176 1.00 0.00 O ATOM 1156 CB LEU A 75 -6.323 -6.307 2.317 1.00 0.00 C ATOM 1157 CG LEU A 75 -5.152 -7.248 2.600 1.00 0.00 C ATOM 1158 CD1 LEU A 75 -4.046 -7.047 1.575 1.00 0.00 C ATOM 1159 CD2 LEU A 75 -4.621 -7.031 4.010 1.00 0.00 C ATOM 0 H LEU A 75 -8.247 -8.098 2.569 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.054 -6.034 4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -6.742 -6.563 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.937 -5.291 2.241 1.00 0.00 H new ATOM 0 HG LEU A 75 -5.509 -8.275 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.221 -7.725 1.792 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.433 -7.254 0.577 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.691 -6.017 1.620 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.788 -7.709 4.193 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.280 -6.001 4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.414 -7.227 4.732 1.00 0.00 H new ATOM 1171 N ARG A 76 -9.611 -5.797 2.364 1.00 0.00 N ATOM 1172 CA ARG A 76 -10.707 -4.936 1.939 1.00 0.00 C ATOM 1173 C ARG A 76 -11.125 -3.993 3.063 1.00 0.00 C ATOM 1174 O ARG A 76 -11.229 -2.782 2.866 1.00 0.00 O ATOM 1175 CB ARG A 76 -11.904 -5.779 1.494 1.00 0.00 C ATOM 1176 CG ARG A 76 -11.889 -6.125 0.014 1.00 0.00 C ATOM 1177 CD ARG A 76 -13.169 -6.830 -0.406 1.00 0.00 C ATOM 1178 NE ARG A 76 -14.234 -5.884 -0.729 1.00 0.00 N ATOM 1179 CZ ARG A 76 -14.347 -5.278 -1.905 1.00 0.00 C ATOM 1180 NH1 ARG A 76 -13.466 -5.518 -2.865 1.00 0.00 N ATOM 1181 NH2 ARG A 76 -15.344 -4.430 -2.123 1.00 0.00 N ATOM 0 H ARG A 76 -9.754 -6.788 2.171 1.00 0.00 H new ATOM 0 HA ARG A 76 -10.360 -4.338 1.097 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.923 -6.702 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.823 -5.239 1.723 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -11.764 -5.215 -0.572 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -11.033 -6.763 -0.203 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -12.968 -7.460 -1.273 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -13.500 -7.489 0.397 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.929 -5.678 -0.012 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -12.699 -6.170 -2.702 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -13.555 -5.051 -3.767 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -16.025 -4.243 -1.387 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -15.430 -3.965 -3.027 1.00 0.00 H new ATOM 1195 N LYS A 77 -11.365 -4.555 4.242 1.00 0.00 N ATOM 1196 CA LYS A 77 -11.771 -3.767 5.399 1.00 0.00 C ATOM 1197 C LYS A 77 -10.759 -2.662 5.686 1.00 0.00 C ATOM 1198 O LYS A 77 -11.088 -1.654 6.312 1.00 0.00 O ATOM 1199 CB LYS A 77 -11.922 -4.667 6.628 1.00 0.00 C ATOM 1200 CG LYS A 77 -12.484 -3.948 7.842 1.00 0.00 C ATOM 1201 CD LYS A 77 -13.959 -3.626 7.667 1.00 0.00 C ATOM 1202 CE LYS A 77 -14.526 -2.923 8.890 1.00 0.00 C ATOM 1203 NZ LYS A 77 -14.352 -1.445 8.811 1.00 0.00 N ATOM 0 H LYS A 77 -11.285 -5.556 4.422 1.00 0.00 H new ATOM 0 HA LYS A 77 -12.733 -3.306 5.174 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -12.574 -5.504 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -10.949 -5.086 6.883 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -12.349 -4.568 8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -11.927 -3.026 8.010 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -14.093 -2.994 6.789 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -14.514 -4.546 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -15.586 -3.159 8.986 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -14.033 -3.299 9.786 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -13.633 -1.143 9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -14.046 -1.182 7.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -15.256 -0.977 9.026 1.00 0.00 H new ATOM 1217 N ARG A 78 -9.528 -2.858 5.224 1.00 0.00 N ATOM 1218 CA ARG A 78 -8.469 -1.877 5.432 1.00 0.00 C ATOM 1219 C ARG A 78 -8.477 -0.827 4.325 1.00 0.00 C ATOM 1220 O ARG A 78 -8.323 0.365 4.588 1.00 0.00 O ATOM 1221 CB ARG A 78 -7.107 -2.571 5.483 1.00 0.00 C ATOM 1222 CG ARG A 78 -6.036 -1.756 6.189 1.00 0.00 C ATOM 1223 CD ARG A 78 -6.170 -1.853 7.701 1.00 0.00 C ATOM 1224 NE ARG A 78 -5.890 -3.200 8.191 1.00 0.00 N ATOM 1225 CZ ARG A 78 -6.212 -3.620 9.409 1.00 0.00 C ATOM 1226 NH1 ARG A 78 -6.821 -2.802 10.257 1.00 0.00 N ATOM 1227 NH2 ARG A 78 -5.925 -4.861 9.781 1.00 0.00 N ATOM 0 H ARG A 78 -9.240 -3.686 4.704 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.650 -1.377 6.384 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -7.216 -3.530 5.990 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -6.778 -2.784 4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -5.050 -2.109 5.886 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.109 -0.713 5.882 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.486 -1.147 8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.179 -1.563 7.995 1.00 0.00 H new ATOM 0 HE ARG A 78 -5.422 -3.854 7.564 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.043 -1.848 9.974 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.067 -3.127 11.192 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -5.457 -5.493 9.131 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.173 -5.183 10.717 1.00 0.00 H new ATOM 1241 N ALA A 79 -8.657 -1.278 3.089 1.00 0.00 N ATOM 1242 CA ALA A 79 -8.685 -0.379 1.943 1.00 0.00 C ATOM 1243 C ALA A 79 -9.638 0.787 2.184 1.00 0.00 C ATOM 1244 O ALA A 79 -9.218 1.942 2.247 1.00 0.00 O ATOM 1245 CB ALA A 79 -9.083 -1.137 0.685 1.00 0.00 C ATOM 0 H ALA A 79 -8.786 -2.262 2.855 1.00 0.00 H new ATOM 0 HA ALA A 79 -7.682 0.026 1.807 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.100 -0.452 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.361 -1.932 0.495 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -10.074 -1.571 0.820 1.00 0.00 H new ATOM 1251 N GLU A 80 -10.924 0.476 2.319 1.00 0.00 N ATOM 1252 CA GLU A 80 -11.937 1.499 2.553 1.00 0.00 C ATOM 1253 C GLU A 80 -11.443 2.533 3.559 1.00 0.00 C ATOM 1254 O GLU A 80 -11.554 3.738 3.332 1.00 0.00 O ATOM 1255 CB GLU A 80 -13.233 0.859 3.055 1.00 0.00 C ATOM 1256 CG GLU A 80 -13.070 0.094 4.358 1.00 0.00 C ATOM 1257 CD GLU A 80 -13.296 0.965 5.578 1.00 0.00 C ATOM 1258 OE1 GLU A 80 -13.218 2.205 5.444 1.00 0.00 O ATOM 1259 OE2 GLU A 80 -13.553 0.408 6.666 1.00 0.00 O ATOM 0 H GLU A 80 -11.289 -0.475 2.270 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.133 2.004 1.607 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.983 1.638 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.613 0.181 2.291 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.772 -0.739 4.376 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.068 -0.333 4.401 1.00 0.00 H new ATOM 1266 N ILE A 81 -10.899 2.053 4.673 1.00 0.00 N ATOM 1267 CA ILE A 81 -10.388 2.936 5.714 1.00 0.00 C ATOM 1268 C ILE A 81 -9.399 3.946 5.142 1.00 0.00 C ATOM 1269 O ILE A 81 -9.450 5.133 5.468 1.00 0.00 O ATOM 1270 CB ILE A 81 -9.699 2.140 6.839 1.00 0.00 C ATOM 1271 CG1 ILE A 81 -10.738 1.384 7.668 1.00 0.00 C ATOM 1272 CG2 ILE A 81 -8.882 3.070 7.722 1.00 0.00 C ATOM 1273 CD1 ILE A 81 -10.137 0.332 8.576 1.00 0.00 C ATOM 0 H ILE A 81 -10.801 1.058 4.877 1.00 0.00 H new ATOM 0 HA ILE A 81 -11.246 3.466 6.128 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.023 1.413 6.389 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.298 2.098 8.273 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.451 0.908 6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.401 2.493 8.512 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.120 3.567 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.538 3.818 8.167 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -10.931 -0.164 9.134 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.601 -0.403 7.976 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.445 0.805 9.273 1.00 0.00 H new ATOM 1285 N LEU A 82 -8.502 3.469 4.288 1.00 0.00 N ATOM 1286 CA LEU A 82 -7.501 4.331 3.668 1.00 0.00 C ATOM 1287 C LEU A 82 -8.141 5.251 2.634 1.00 0.00 C ATOM 1288 O LEU A 82 -7.550 6.252 2.226 1.00 0.00 O ATOM 1289 CB LEU A 82 -6.409 3.487 3.009 1.00 0.00 C ATOM 1290 CG LEU A 82 -5.591 2.597 3.947 1.00 0.00 C ATOM 1291 CD1 LEU A 82 -5.019 1.408 3.191 1.00 0.00 C ATOM 1292 CD2 LEU A 82 -4.477 3.399 4.605 1.00 0.00 C ATOM 0 H LEU A 82 -8.446 2.490 4.008 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.054 4.946 4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.873 2.854 2.253 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.725 4.157 2.488 1.00 0.00 H new ATOM 0 HG LEU A 82 -6.252 2.221 4.728 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -4.440 0.786 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.833 0.820 2.767 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.373 1.764 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.905 2.751 5.269 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.818 3.804 3.837 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.909 4.217 5.181 1.00 0.00 H new ATOM 1304 N LYS A 83 -9.354 4.909 2.215 1.00 0.00 N ATOM 1305 CA LYS A 83 -10.078 5.706 1.231 1.00 0.00 C ATOM 1306 C LYS A 83 -10.796 6.874 1.899 1.00 0.00 C ATOM 1307 O LYS A 83 -10.833 7.983 1.365 1.00 0.00 O ATOM 1308 CB LYS A 83 -11.087 4.834 0.482 1.00 0.00 C ATOM 1309 CG LYS A 83 -10.486 3.562 -0.091 1.00 0.00 C ATOM 1310 CD LYS A 83 -11.255 3.081 -1.310 1.00 0.00 C ATOM 1311 CE LYS A 83 -12.354 2.102 -0.927 1.00 0.00 C ATOM 1312 NZ LYS A 83 -13.489 2.784 -0.244 1.00 0.00 N ATOM 0 H LYS A 83 -9.857 4.084 2.542 1.00 0.00 H new ATOM 0 HA LYS A 83 -9.355 6.106 0.520 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -11.899 4.569 1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -11.526 5.416 -0.329 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.446 3.741 -0.363 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -10.487 2.783 0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -11.692 3.936 -1.826 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -10.569 2.603 -2.009 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -12.719 1.597 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -11.944 1.334 -0.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -14.247 2.096 -0.059 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -13.160 3.187 0.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -13.853 3.545 -0.852 1.00 0.00 H new ATOM 1326 N LYS A 84 -11.367 6.619 3.072 1.00 0.00 N ATOM 1327 CA LYS A 84 -12.083 7.650 3.814 1.00 0.00 C ATOM 1328 C LYS A 84 -11.204 8.879 4.024 1.00 0.00 C ATOM 1329 O LYS A 84 -11.584 9.993 3.663 1.00 0.00 O ATOM 1330 CB LYS A 84 -12.544 7.104 5.168 1.00 0.00 C ATOM 1331 CG LYS A 84 -13.812 7.760 5.688 1.00 0.00 C ATOM 1332 CD LYS A 84 -13.886 7.705 7.205 1.00 0.00 C ATOM 1333 CE LYS A 84 -13.015 8.775 7.846 1.00 0.00 C ATOM 1334 NZ LYS A 84 -13.610 10.132 7.703 1.00 0.00 N ATOM 0 H LYS A 84 -11.348 5.707 3.529 1.00 0.00 H new ATOM 0 HA LYS A 84 -12.955 7.944 3.230 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -12.710 6.030 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -11.747 7.244 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -13.847 8.798 5.358 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -14.682 7.261 5.262 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -14.920 7.837 7.525 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -13.568 6.721 7.550 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -12.879 8.547 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -12.026 8.762 7.387 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -13.114 10.796 8.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -13.515 10.450 6.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -14.617 10.098 7.961 1.00 0.00 H new ATOM 1348 N GLU A 85 -10.029 8.667 4.608 1.00 0.00 N ATOM 1349 CA GLU A 85 -9.096 9.760 4.863 1.00 0.00 C ATOM 1350 C GLU A 85 -8.561 10.336 3.555 1.00 0.00 C ATOM 1351 O GLU A 85 -8.481 11.553 3.387 1.00 0.00 O ATOM 1352 CB GLU A 85 -7.935 9.276 5.733 1.00 0.00 C ATOM 1353 CG GLU A 85 -7.140 8.140 5.110 1.00 0.00 C ATOM 1354 CD GLU A 85 -5.991 7.683 5.988 1.00 0.00 C ATOM 1355 OE1 GLU A 85 -5.485 8.506 6.779 1.00 0.00 O ATOM 1356 OE2 GLU A 85 -5.597 6.502 5.883 1.00 0.00 O ATOM 0 H GLU A 85 -9.700 7.751 4.913 1.00 0.00 H new ATOM 0 HA GLU A 85 -9.634 10.547 5.392 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -7.265 10.113 5.928 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -8.326 8.949 6.697 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -7.805 7.297 4.920 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.749 8.462 4.145 1.00 0.00 H new