USER MOD reduce.3.24.130724 H: found=0, std=0, add=748, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 748 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 78 MET CE :methyl -131:sc= -0.103 (180deg=-2.76!) USER MOD Set 1.2: A 110 THR OG1 : rot 28:sc= 0.207 USER MOD Set 2.1: A 89 THR OG1 : rot -110:sc= 0.3 USER MOD Set 2.2: A 92 GLN : amide:sc= 0.656 K(o=0.96,f=-0.31) USER MOD Set 3.1: A 44 ASN : amide:sc= -0.948! C(o=2.9!,f=-4.3!) USER MOD Set 3.2: A 47 SER OG : rot 112:sc= 1.45 USER MOD Set 3.3: A 56 TYR OH : rot 72:sc= 0.618 USER MOD Set 3.4: A 76 LYS NZ :NH3+ 178:sc= 1.83 (180deg=1.53) USER MOD Single : A 14 GLN :FLIP amide:sc= -1.31 F(o=-4.1!,f=-1.3) USER MOD Single : A 19 HIS :FLIP no HD1:sc= -0.248 F(o=-0.85,f=-0.25) USER MOD Single : A 20 LYS NZ :NH3+ -165:sc= -0.0464 (180deg=-0.278) USER MOD Single : A 23 GLN : amide:sc= -1.84! X(o=-1.8!,f=-1.9) USER MOD Single : A 26 ASN : amide:sc= 1.01 K(o=1,f=-0.23) USER MOD Single : A 32 SER OG : rot -89:sc= 0.172 USER MOD Single : A 39 GLN :FLIP amide:sc= -2.46! C(o=-4.2!,f=-2.5!) USER MOD Single : A 42 SER OG : rot 99:sc= 1.26 USER MOD Single : A 43 GLN :FLIP amide:sc= -1.56 F(o=-2.8!,f=-1.6) USER MOD Single : A 53 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0585) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.0656 USER MOD Single : A 61 SER OG : rot 154:sc= -0.704 USER MOD Single : A 72 GLN : amide:sc= -0.342 X(o=-0.34,f=-0.012) USER MOD Single : A 79 GLN : amide:sc= -2.71! C(o=-2.7!,f=-10!) USER MOD Single : A 81 ASN :FLIP amide:sc= -0.12 F(o=-1.9!,f=-0.12) USER MOD Single : A 85 MET CE :methyl -147:sc= -0.538 (180deg=-4.36!) USER MOD Single : A 86 THR OG1 : rot 63:sc= 1.21 USER MOD Single : A 87 MET CE :methyl -165:sc= -0.0475 (180deg=-0.382) USER MOD Single : A 90 HIS : no HD1:sc= -0.671 K(o=-0.67,f=-3) USER MOD Single : A 95 LYS NZ :NH3+ -166:sc= 1.94 (180deg=1.59) USER MOD Single : A 98 THR OG1 : rot -35:sc= 0.711 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 153 N VAL A 12 -7.333 -11.028 -3.817 1.00 0.00 N ATOM 154 CA VAL A 12 -7.313 -10.682 -5.206 1.00 0.00 C ATOM 155 C VAL A 12 -6.226 -9.649 -5.408 1.00 0.00 C ATOM 156 O VAL A 12 -6.047 -8.758 -4.566 1.00 0.00 O ATOM 157 CB VAL A 12 -8.708 -10.165 -5.705 1.00 0.00 C ATOM 158 CG1 VAL A 12 -9.141 -8.916 -4.975 1.00 0.00 C ATOM 159 CG2 VAL A 12 -8.720 -9.935 -7.210 1.00 0.00 C ATOM 0 HA VAL A 12 -7.101 -11.569 -5.803 1.00 0.00 H new ATOM 0 HB VAL A 12 -9.428 -10.951 -5.478 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.111 -8.592 -5.352 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -9.217 -9.126 -3.908 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.407 -8.127 -5.138 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.703 -9.578 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.967 -9.192 -7.470 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.499 -10.871 -7.723 1.00 0.00 H new ATOM 169 N VAL A 13 -5.465 -9.803 -6.444 1.00 0.00 N ATOM 170 CA VAL A 13 -4.402 -8.889 -6.726 1.00 0.00 C ATOM 171 C VAL A 13 -4.789 -8.035 -7.922 1.00 0.00 C ATOM 172 O VAL A 13 -5.405 -8.525 -8.878 1.00 0.00 O ATOM 173 CB VAL A 13 -3.043 -9.636 -6.954 1.00 0.00 C ATOM 174 CG1 VAL A 13 -3.056 -10.525 -8.188 1.00 0.00 C ATOM 175 CG2 VAL A 13 -1.871 -8.670 -6.975 1.00 0.00 C ATOM 0 H VAL A 13 -5.561 -10.563 -7.117 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.248 -8.240 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 13 -2.912 -10.300 -6.099 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -2.088 -11.015 -8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.836 -11.279 -8.085 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -3.253 -9.918 -9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.946 -9.224 -7.135 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -2.007 -7.950 -7.782 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -1.818 -8.142 -6.023 1.00 0.00 H new ATOM 185 N GLN A 14 -4.496 -6.782 -7.848 1.00 0.00 N ATOM 186 CA GLN A 14 -4.814 -5.882 -8.917 1.00 0.00 C ATOM 187 C GLN A 14 -3.636 -4.991 -9.183 1.00 0.00 C ATOM 188 O GLN A 14 -2.821 -4.738 -8.266 1.00 0.00 O ATOM 189 CB GLN A 14 -6.119 -5.100 -8.612 1.00 0.00 C ATOM 190 CG GLN A 14 -6.102 -4.188 -7.385 1.00 0.00 C ATOM 191 CD GLN A 14 -5.646 -2.758 -7.684 1.00 0.00 C ATOM 192 OE1 GLN A 14 -4.375 -2.499 -7.586 1.00 0.00 O flip ATOM 193 NE2 GLN A 14 -6.452 -1.895 -8.009 1.00 0.00 N flip ATOM 0 H GLN A 14 -4.031 -6.348 -7.051 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.012 -6.443 -9.831 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -6.364 -4.493 -9.484 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -6.927 -5.821 -8.489 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -7.102 -4.157 -6.953 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -5.442 -4.620 -6.632 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -7.444 -2.124 -8.079 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -6.132 -0.948 -8.210 1.00 0.00 H new ATOM 202 N ARG A 15 -3.529 -4.517 -10.390 1.00 0.00 N ATOM 203 CA ARG A 15 -2.421 -3.702 -10.783 1.00 0.00 C ATOM 204 C ARG A 15 -2.886 -2.254 -10.828 1.00 0.00 C ATOM 205 O ARG A 15 -4.019 -1.964 -11.246 1.00 0.00 O ATOM 206 CB ARG A 15 -1.867 -4.189 -12.163 1.00 0.00 C ATOM 207 CG ARG A 15 -2.474 -3.535 -13.412 1.00 0.00 C ATOM 208 CD ARG A 15 -1.658 -2.298 -13.801 1.00 0.00 C ATOM 209 NE ARG A 15 -2.298 -1.447 -14.803 1.00 0.00 N ATOM 210 CZ ARG A 15 -1.668 -0.467 -15.468 1.00 0.00 C ATOM 211 NH1 ARG A 15 -0.338 -0.367 -15.402 1.00 0.00 N ATOM 212 NH2 ARG A 15 -2.363 0.382 -16.225 1.00 0.00 N ATOM 0 H ARG A 15 -4.210 -4.686 -11.130 1.00 0.00 H new ATOM 0 HA ARG A 15 -1.604 -3.782 -10.066 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -0.790 -4.020 -12.178 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -2.021 -5.266 -12.232 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -2.486 -4.248 -14.237 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -3.509 -3.253 -13.219 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -1.468 -1.706 -12.906 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.689 -2.621 -14.181 1.00 0.00 H new ATOM 0 HE ARG A 15 -3.284 -1.608 -15.009 1.00 0.00 H new ATOM 0 HH11 ARG A 15 0.197 -1.035 -14.847 1.00 0.00 H new ATOM 0 HH12 ARG A 15 0.143 0.377 -15.907 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.376 0.287 -16.299 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -1.882 1.126 -16.730 1.00 0.00 H new ATOM 226 N VAL A 16 -2.059 -1.378 -10.376 1.00 0.00 N ATOM 227 CA VAL A 16 -2.347 0.021 -10.393 1.00 0.00 C ATOM 228 C VAL A 16 -1.195 0.767 -11.032 1.00 0.00 C ATOM 229 O VAL A 16 -0.075 0.254 -11.077 1.00 0.00 O ATOM 230 CB VAL A 16 -2.612 0.526 -8.965 1.00 0.00 C ATOM 231 CG1 VAL A 16 -1.396 0.558 -8.115 1.00 0.00 C ATOM 232 CG2 VAL A 16 -3.400 1.799 -8.916 1.00 0.00 C ATOM 0 H VAL A 16 -1.150 -1.612 -9.978 1.00 0.00 H new ATOM 0 HA VAL A 16 -3.246 0.201 -10.983 1.00 0.00 H new ATOM 0 HB VAL A 16 -3.259 -0.228 -8.516 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.656 0.924 -7.122 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.982 -0.447 -8.034 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.656 1.221 -8.564 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -3.549 2.095 -7.878 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -2.857 2.584 -9.443 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -4.369 1.646 -9.392 1.00 0.00 H new ATOM 242 N GLU A 17 -1.456 1.945 -11.516 1.00 0.00 N ATOM 243 CA GLU A 17 -0.451 2.709 -12.189 1.00 0.00 C ATOM 244 C GLU A 17 -0.545 4.149 -11.795 1.00 0.00 C ATOM 245 O GLU A 17 -1.419 4.881 -12.251 1.00 0.00 O ATOM 246 CB GLU A 17 -0.573 2.532 -13.690 1.00 0.00 C ATOM 247 CG GLU A 17 0.466 3.269 -14.497 1.00 0.00 C ATOM 248 CD GLU A 17 0.419 2.878 -15.960 1.00 0.00 C ATOM 249 OE1 GLU A 17 0.987 1.821 -16.334 1.00 0.00 O ATOM 250 OE2 GLU A 17 -0.228 3.580 -16.765 1.00 0.00 O ATOM 0 H GLU A 17 -2.367 2.400 -11.456 1.00 0.00 H new ATOM 0 HA GLU A 17 0.533 2.346 -11.891 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -0.508 1.469 -13.923 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -1.562 2.867 -14.003 1.00 0.00 H new ATOM 0 HG2 GLU A 17 0.306 4.343 -14.402 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.457 3.057 -14.095 1.00 0.00 H new ATOM 257 N ILE A 18 0.327 4.535 -10.936 1.00 0.00 N ATOM 258 CA ILE A 18 0.355 5.889 -10.449 1.00 0.00 C ATOM 259 C ILE A 18 1.306 6.687 -11.282 1.00 0.00 C ATOM 260 O ILE A 18 2.437 6.270 -11.487 1.00 0.00 O ATOM 261 CB ILE A 18 0.725 6.010 -8.917 1.00 0.00 C ATOM 262 CG1 ILE A 18 -0.483 5.785 -8.012 1.00 0.00 C ATOM 263 CG2 ILE A 18 1.368 7.336 -8.581 1.00 0.00 C ATOM 264 CD1 ILE A 18 -0.891 4.367 -7.810 1.00 0.00 C ATOM 0 H ILE A 18 1.048 3.930 -10.543 1.00 0.00 H new ATOM 0 HA ILE A 18 -0.658 6.282 -10.537 1.00 0.00 H new ATOM 0 HB ILE A 18 1.452 5.219 -8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -0.269 6.223 -7.037 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -1.330 6.331 -8.427 1.00 0.00 H new ATOM 0 HG21 ILE A 18 1.602 7.368 -7.517 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.285 7.452 -9.158 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.681 8.146 -8.825 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.758 4.328 -7.151 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.146 3.921 -8.771 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -0.068 3.812 -7.360 1.00 0.00 H new ATOM 276 N HIS A 19 0.837 7.798 -11.781 1.00 0.00 N ATOM 277 CA HIS A 19 1.665 8.689 -12.550 1.00 0.00 C ATOM 278 C HIS A 19 2.250 9.728 -11.620 1.00 0.00 C ATOM 279 O HIS A 19 1.699 9.977 -10.547 1.00 0.00 O ATOM 280 CB HIS A 19 0.873 9.375 -13.679 1.00 0.00 C ATOM 281 CG HIS A 19 0.385 8.483 -14.783 1.00 0.00 C ATOM 282 ND1 HIS A 19 0.591 7.177 -14.997 1.00 0.00 N flip ATOM 283 CD2 HIS A 19 -0.400 8.915 -15.828 1.00 0.00 C flip ATOM 284 CE1 HIS A 19 -0.056 6.788 -16.165 1.00 0.00 C flip ATOM 285 NE2 HIS A 19 -0.641 7.878 -16.625 1.00 0.00 N flip ATOM 0 H HIS A 19 -0.127 8.111 -11.667 1.00 0.00 H new ATOM 0 HA HIS A 19 2.459 8.109 -13.020 1.00 0.00 H new ATOM 0 HB2 HIS A 19 0.012 9.876 -13.238 1.00 0.00 H new ATOM 0 HB3 HIS A 19 1.502 10.150 -14.117 1.00 0.00 H new ATOM 0 HD2 HIS A 19 -0.759 9.923 -15.975 1.00 0.00 H new ATOM 0 HE1 HIS A 19 -0.076 5.801 -16.604 1.00 0.00 H new ATOM 0 HE2 HIS A 19 -1.202 7.919 -17.476 1.00 0.00 H new ATOM 293 N LYS A 20 3.355 10.303 -12.028 1.00 0.00 N ATOM 294 CA LYS A 20 4.077 11.317 -11.248 1.00 0.00 C ATOM 295 C LYS A 20 3.181 12.458 -10.724 1.00 0.00 C ATOM 296 O LYS A 20 2.437 13.101 -11.478 1.00 0.00 O ATOM 297 CB LYS A 20 5.218 11.898 -12.081 1.00 0.00 C ATOM 298 CG LYS A 20 4.770 12.464 -13.413 1.00 0.00 C ATOM 299 CD LYS A 20 5.902 13.129 -14.144 1.00 0.00 C ATOM 300 CE LYS A 20 5.437 13.689 -15.472 1.00 0.00 C ATOM 301 NZ LYS A 20 4.967 12.636 -16.393 1.00 0.00 N ATOM 0 H LYS A 20 3.796 10.087 -12.922 1.00 0.00 H new ATOM 0 HA LYS A 20 4.466 10.804 -10.368 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.710 12.684 -11.509 1.00 0.00 H new ATOM 0 HB3 LYS A 20 5.960 11.120 -12.258 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.360 11.664 -14.029 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.968 13.185 -13.251 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.314 13.931 -13.531 1.00 0.00 H new ATOM 0 HD3 LYS A 20 6.705 12.410 -14.310 1.00 0.00 H new ATOM 0 HE2 LYS A 20 4.632 14.403 -15.300 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.255 14.237 -15.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.901 13.022 -17.357 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.638 11.841 -16.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.030 12.302 -16.089 1.00 0.00 H new ATOM 315 N LEU A 21 3.239 12.671 -9.441 1.00 0.00 N ATOM 316 CA LEU A 21 2.546 13.760 -8.814 1.00 0.00 C ATOM 317 C LEU A 21 3.555 14.674 -8.144 1.00 0.00 C ATOM 318 O LEU A 21 4.287 14.267 -7.241 1.00 0.00 O ATOM 319 CB LEU A 21 1.551 13.247 -7.785 1.00 0.00 C ATOM 320 CG LEU A 21 0.817 14.315 -6.986 1.00 0.00 C ATOM 321 CD1 LEU A 21 -0.156 15.081 -7.860 1.00 0.00 C ATOM 322 CD2 LEU A 21 0.125 13.713 -5.783 1.00 0.00 C ATOM 0 H LEU A 21 3.773 12.089 -8.795 1.00 0.00 H new ATOM 0 HA LEU A 21 1.995 14.312 -9.575 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.812 12.631 -8.297 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.080 12.597 -7.088 1.00 0.00 H new ATOM 0 HG LEU A 21 1.557 15.027 -6.619 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.665 15.837 -7.262 1.00 0.00 H new ATOM 0 HD12 LEU A 21 0.387 15.566 -8.671 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.891 14.392 -8.277 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.391 14.498 -5.230 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.597 12.967 -6.114 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.864 13.240 -5.137 1.00 0.00 H new ATOM 334 N ARG A 22 3.598 15.889 -8.567 1.00 0.00 N ATOM 335 CA ARG A 22 4.545 16.831 -8.028 1.00 0.00 C ATOM 336 C ARG A 22 3.853 17.722 -7.054 1.00 0.00 C ATOM 337 O ARG A 22 2.907 18.419 -7.415 1.00 0.00 O ATOM 338 CB ARG A 22 5.166 17.670 -9.130 1.00 0.00 C ATOM 339 CG ARG A 22 5.901 16.862 -10.162 1.00 0.00 C ATOM 340 CD ARG A 22 6.434 17.727 -11.261 1.00 0.00 C ATOM 341 NE ARG A 22 7.154 16.944 -12.268 1.00 0.00 N ATOM 342 CZ ARG A 22 6.965 17.036 -13.587 1.00 0.00 C ATOM 343 NH1 ARG A 22 5.940 17.742 -14.068 1.00 0.00 N ATOM 344 NH2 ARG A 22 7.751 16.362 -14.419 1.00 0.00 N ATOM 0 H ARG A 22 2.987 16.267 -9.291 1.00 0.00 H new ATOM 0 HA ARG A 22 5.340 16.277 -7.529 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.382 18.245 -9.622 1.00 0.00 H new ATOM 0 HB3 ARG A 22 5.855 18.387 -8.684 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.724 16.327 -9.688 1.00 0.00 H new ATOM 0 HG3 ARG A 22 5.232 16.111 -10.581 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.610 18.260 -11.736 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.101 18.480 -10.840 1.00 0.00 H new ATOM 0 HE ARG A 22 7.852 16.278 -11.937 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.300 18.212 -13.428 1.00 0.00 H new ATOM 0 HH12 ARG A 22 5.797 17.812 -15.075 1.00 0.00 H new ATOM 0 HH21 ARG A 22 8.499 15.774 -14.051 1.00 0.00 H new ATOM 0 HH22 ARG A 22 7.607 16.432 -15.426 1.00 0.00 H new ATOM 358 N GLN A 23 4.279 17.689 -5.830 1.00 0.00 N ATOM 359 CA GLN A 23 3.716 18.540 -4.836 1.00 0.00 C ATOM 360 C GLN A 23 4.810 19.372 -4.265 1.00 0.00 C ATOM 361 O GLN A 23 5.642 18.846 -3.555 1.00 0.00 O ATOM 362 CB GLN A 23 3.101 17.735 -3.710 1.00 0.00 C ATOM 363 CG GLN A 23 2.037 16.757 -4.119 1.00 0.00 C ATOM 364 CD GLN A 23 1.178 16.349 -2.952 1.00 0.00 C ATOM 365 OE1 GLN A 23 1.594 16.382 -1.802 1.00 0.00 O ATOM 366 NE2 GLN A 23 0.019 15.912 -3.237 1.00 0.00 N ATOM 0 H GLN A 23 5.022 17.075 -5.496 1.00 0.00 H new ATOM 0 HA GLN A 23 2.939 19.151 -5.296 1.00 0.00 H new ATOM 0 HB2 GLN A 23 3.896 17.189 -3.201 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.674 18.427 -2.984 1.00 0.00 H new ATOM 0 HG2 GLN A 23 1.412 17.202 -4.893 1.00 0.00 H new ATOM 0 HG3 GLN A 23 2.503 15.873 -4.555 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.297 15.898 -4.207 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -0.595 15.575 -2.496 1.00 0.00 H new ATOM 375 N GLY A 24 4.863 20.624 -4.625 1.00 0.00 N ATOM 376 CA GLY A 24 5.851 21.515 -4.065 1.00 0.00 C ATOM 377 C GLY A 24 7.260 21.136 -4.439 1.00 0.00 C ATOM 378 O GLY A 24 7.641 21.175 -5.606 1.00 0.00 O ATOM 0 H GLY A 24 4.235 21.055 -5.304 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.651 22.531 -4.405 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.757 21.518 -2.979 1.00 0.00 H new ATOM 382 N GLU A 25 8.002 20.716 -3.455 1.00 0.00 N ATOM 383 CA GLU A 25 9.392 20.353 -3.619 1.00 0.00 C ATOM 384 C GLU A 25 9.512 18.856 -3.783 1.00 0.00 C ATOM 385 O GLU A 25 10.612 18.313 -3.885 1.00 0.00 O ATOM 386 CB GLU A 25 10.148 20.738 -2.363 1.00 0.00 C ATOM 387 CG GLU A 25 10.011 22.183 -1.951 1.00 0.00 C ATOM 388 CD GLU A 25 10.496 22.397 -0.548 1.00 0.00 C ATOM 389 OE1 GLU A 25 9.802 21.974 0.400 1.00 0.00 O ATOM 390 OE2 GLU A 25 11.576 22.991 -0.345 1.00 0.00 O ATOM 0 H GLU A 25 7.659 20.612 -2.500 1.00 0.00 H new ATOM 0 HA GLU A 25 9.794 20.863 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.803 20.108 -1.543 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.205 20.517 -2.512 1.00 0.00 H new ATOM 0 HG2 GLU A 25 10.579 22.814 -2.635 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.967 22.488 -2.028 1.00 0.00 H new ATOM 397 N ASN A 26 8.401 18.189 -3.813 1.00 0.00 N ATOM 398 CA ASN A 26 8.436 16.754 -3.774 1.00 0.00 C ATOM 399 C ASN A 26 7.818 16.187 -4.987 1.00 0.00 C ATOM 400 O ASN A 26 7.044 16.844 -5.703 1.00 0.00 O ATOM 401 CB ASN A 26 7.641 16.178 -2.586 1.00 0.00 C ATOM 402 CG ASN A 26 7.639 17.039 -1.375 1.00 0.00 C ATOM 403 OD1 ASN A 26 8.493 16.956 -0.495 1.00 0.00 O ATOM 404 ND2 ASN A 26 6.657 17.851 -1.321 1.00 0.00 N ATOM 0 H ASN A 26 7.470 18.603 -3.864 1.00 0.00 H new ATOM 0 HA ASN A 26 9.490 16.489 -3.687 1.00 0.00 H new ATOM 0 HB2 ASN A 26 6.611 16.011 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN A 26 8.056 15.205 -2.324 1.00 0.00 H new ATOM 0 HD21 ASN A 26 6.553 18.473 -0.519 1.00 0.00 H new ATOM 0 HD22 ASN A 26 5.976 17.879 -2.080 1.00 0.00 H new ATOM 411 N LEU A 27 8.132 14.988 -5.193 1.00 0.00 N ATOM 412 CA LEU A 27 7.536 14.177 -6.178 1.00 0.00 C ATOM 413 C LEU A 27 7.018 13.036 -5.383 1.00 0.00 C ATOM 414 O LEU A 27 7.792 12.318 -4.750 1.00 0.00 O ATOM 415 CB LEU A 27 8.592 13.705 -7.193 1.00 0.00 C ATOM 416 CG LEU A 27 8.133 12.951 -8.483 1.00 0.00 C ATOM 417 CD1 LEU A 27 7.387 11.651 -8.203 1.00 0.00 C ATOM 418 CD2 LEU A 27 7.319 13.849 -9.371 1.00 0.00 C ATOM 0 H LEU A 27 8.852 14.506 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 27 6.766 14.683 -6.761 1.00 0.00 H new ATOM 0 HB2 LEU A 27 9.156 14.582 -7.510 1.00 0.00 H new ATOM 0 HB3 LEU A 27 9.287 13.054 -6.663 1.00 0.00 H new ATOM 0 HG LEU A 27 9.049 12.668 -9.002 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.101 11.185 -9.146 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.033 10.973 -7.645 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.493 11.864 -7.617 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.012 13.300 -10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.435 14.189 -8.832 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.918 14.711 -9.665 1.00 0.00 H new ATOM 430 N ILE A 28 5.757 12.905 -5.331 1.00 0.00 N ATOM 431 CA ILE A 28 5.189 11.868 -4.557 1.00 0.00 C ATOM 432 C ILE A 28 4.269 11.090 -5.436 1.00 0.00 C ATOM 433 O ILE A 28 3.802 11.582 -6.447 1.00 0.00 O ATOM 434 CB ILE A 28 4.384 12.384 -3.324 1.00 0.00 C ATOM 435 CG1 ILE A 28 4.673 13.866 -3.016 1.00 0.00 C ATOM 436 CG2 ILE A 28 4.719 11.533 -2.107 1.00 0.00 C ATOM 437 CD1 ILE A 28 3.894 14.413 -1.851 1.00 0.00 C ATOM 0 H ILE A 28 5.088 13.503 -5.816 1.00 0.00 H new ATOM 0 HA ILE A 28 6.007 11.261 -4.169 1.00 0.00 H new ATOM 0 HB ILE A 28 3.324 12.301 -3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.738 13.984 -2.815 1.00 0.00 H new ATOM 0 HG13 ILE A 28 4.448 14.461 -3.901 1.00 0.00 H new ATOM 0 HG21 ILE A 28 4.157 11.893 -1.245 1.00 0.00 H new ATOM 0 HG22 ILE A 28 4.454 10.494 -2.305 1.00 0.00 H new ATOM 0 HG23 ILE A 28 5.787 11.601 -1.898 1.00 0.00 H new ATOM 0 HD11 ILE A 28 4.154 15.461 -1.699 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.827 14.330 -2.056 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.136 13.845 -0.953 1.00 0.00 H new ATOM 449 N LEU A 29 4.014 9.897 -5.059 1.00 0.00 N ATOM 450 CA LEU A 29 3.117 9.036 -5.790 1.00 0.00 C ATOM 451 C LEU A 29 1.729 9.145 -5.173 1.00 0.00 C ATOM 452 O LEU A 29 0.780 8.431 -5.508 1.00 0.00 O ATOM 453 CB LEU A 29 3.669 7.616 -5.780 1.00 0.00 C ATOM 454 CG LEU A 29 4.966 7.363 -6.604 1.00 0.00 C ATOM 455 CD1 LEU A 29 4.800 7.700 -8.066 1.00 0.00 C ATOM 456 CD2 LEU A 29 6.210 8.050 -6.048 1.00 0.00 C ATOM 0 H LEU A 29 4.418 9.468 -4.226 1.00 0.00 H new ATOM 0 HA LEU A 29 3.034 9.336 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.863 7.334 -4.745 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.893 6.947 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 29 5.130 6.290 -6.508 1.00 0.00 H new ATOM 0 HD11 LEU A 29 5.734 7.505 -8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 29 4.007 7.086 -8.493 1.00 0.00 H new ATOM 0 HD13 LEU A 29 4.538 8.753 -8.169 1.00 0.00 H new ATOM 0 HD21 LEU A 29 7.066 7.821 -6.682 1.00 0.00 H new ATOM 0 HD22 LEU A 29 6.052 9.128 -6.028 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.402 7.692 -5.036 1.00 0.00 H new ATOM 468 N GLY A 30 1.651 10.054 -4.255 1.00 0.00 N ATOM 469 CA GLY A 30 0.412 10.439 -3.641 1.00 0.00 C ATOM 470 C GLY A 30 0.065 9.695 -2.375 1.00 0.00 C ATOM 471 O GLY A 30 -0.344 10.299 -1.399 1.00 0.00 O ATOM 0 H GLY A 30 2.461 10.563 -3.901 1.00 0.00 H new ATOM 0 HA2 GLY A 30 0.451 11.505 -3.418 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -0.393 10.293 -4.361 1.00 0.00 H new ATOM 475 N PHE A 31 0.192 8.403 -2.400 1.00 0.00 N ATOM 476 CA PHE A 31 -0.206 7.588 -1.280 1.00 0.00 C ATOM 477 C PHE A 31 0.941 7.387 -0.250 1.00 0.00 C ATOM 478 O PHE A 31 2.109 7.681 -0.530 1.00 0.00 O ATOM 479 CB PHE A 31 -0.750 6.250 -1.808 1.00 0.00 C ATOM 480 CG PHE A 31 0.277 5.404 -2.467 1.00 0.00 C ATOM 481 CD1 PHE A 31 0.566 5.572 -3.802 1.00 0.00 C ATOM 482 CD2 PHE A 31 0.959 4.455 -1.751 1.00 0.00 C ATOM 483 CE1 PHE A 31 1.523 4.812 -4.414 1.00 0.00 C ATOM 484 CE2 PHE A 31 1.912 3.683 -2.350 1.00 0.00 C ATOM 485 CZ PHE A 31 2.204 3.859 -3.685 1.00 0.00 C ATOM 0 H PHE A 31 0.572 7.881 -3.190 1.00 0.00 H new ATOM 0 HA PHE A 31 -0.994 8.106 -0.733 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -1.188 5.694 -0.979 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -1.553 6.450 -2.518 1.00 0.00 H new ATOM 0 HD1 PHE A 31 0.029 6.315 -4.374 1.00 0.00 H new ATOM 0 HD2 PHE A 31 0.740 4.317 -0.702 1.00 0.00 H new ATOM 0 HE1 PHE A 31 1.745 4.956 -5.461 1.00 0.00 H new ATOM 0 HE2 PHE A 31 2.438 2.933 -1.777 1.00 0.00 H new ATOM 0 HZ PHE A 31 2.963 3.254 -4.159 1.00 0.00 H new ATOM 495 N SER A 32 0.574 6.897 0.919 1.00 0.00 N ATOM 496 CA SER A 32 1.478 6.610 2.013 1.00 0.00 C ATOM 497 C SER A 32 1.393 5.130 2.377 1.00 0.00 C ATOM 498 O SER A 32 0.451 4.441 1.972 1.00 0.00 O ATOM 499 CB SER A 32 1.078 7.416 3.231 1.00 0.00 C ATOM 500 OG SER A 32 1.123 8.816 2.990 1.00 0.00 O ATOM 0 H SER A 32 -0.398 6.680 1.139 1.00 0.00 H new ATOM 0 HA SER A 32 2.492 6.867 1.705 1.00 0.00 H new ATOM 0 HB2 SER A 32 0.070 7.134 3.535 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.742 7.171 4.060 1.00 0.00 H new ATOM 0 HG SER A 32 2.019 9.155 3.198 1.00 0.00 H new ATOM 506 N ILE A 33 2.330 4.667 3.190 1.00 0.00 N ATOM 507 CA ILE A 33 2.404 3.276 3.579 1.00 0.00 C ATOM 508 C ILE A 33 2.422 3.153 5.086 1.00 0.00 C ATOM 509 O ILE A 33 2.698 4.129 5.801 1.00 0.00 O ATOM 510 CB ILE A 33 3.674 2.562 3.026 1.00 0.00 C ATOM 511 CG1 ILE A 33 4.945 2.856 3.874 1.00 0.00 C ATOM 512 CG2 ILE A 33 3.890 2.978 1.607 1.00 0.00 C ATOM 513 CD1 ILE A 33 6.207 2.156 3.395 1.00 0.00 C ATOM 0 H ILE A 33 3.060 5.251 3.597 1.00 0.00 H new ATOM 0 HA ILE A 33 1.522 2.796 3.155 1.00 0.00 H new ATOM 0 HB ILE A 33 3.504 1.487 3.084 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.122 3.932 3.877 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.752 2.562 4.906 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.777 2.482 1.213 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.023 2.698 1.010 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.028 4.058 1.562 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.040 2.421 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.056 1.077 3.419 1.00 0.00 H new ATOM 0 HD13 ILE A 33 6.431 2.468 2.375 1.00 0.00 H new ATOM 525 N GLY A 34 2.170 1.966 5.557 1.00 0.00 N ATOM 526 CA GLY A 34 2.183 1.721 6.965 1.00 0.00 C ATOM 527 C GLY A 34 3.363 0.905 7.361 1.00 0.00 C ATOM 528 O GLY A 34 3.795 0.949 8.494 1.00 0.00 O ATOM 0 H GLY A 34 1.953 1.152 4.982 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.198 2.670 7.501 1.00 0.00 H new ATOM 0 HA3 GLY A 34 1.268 1.205 7.255 1.00 0.00 H new ATOM 532 N GLY A 35 3.929 0.202 6.411 1.00 0.00 N ATOM 533 CA GLY A 35 5.023 -0.641 6.690 1.00 0.00 C ATOM 534 C GLY A 35 4.743 -2.042 6.281 1.00 0.00 C ATOM 535 O GLY A 35 3.665 -2.318 5.822 1.00 0.00 O ATOM 0 H GLY A 35 3.633 0.210 5.435 1.00 0.00 H new ATOM 0 HA2 GLY A 35 5.908 -0.277 6.167 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.247 -0.609 7.756 1.00 0.00 H new ATOM 539 N GLY A 36 5.769 -2.878 6.336 1.00 0.00 N ATOM 540 CA GLY A 36 5.632 -4.269 6.036 1.00 0.00 C ATOM 541 C GLY A 36 6.057 -5.152 7.179 1.00 0.00 C ATOM 542 O GLY A 36 5.518 -5.057 8.257 1.00 0.00 O ATOM 0 H GLY A 36 6.716 -2.597 6.592 1.00 0.00 H new ATOM 0 HA2 GLY A 36 4.593 -4.482 5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 36 6.229 -4.508 5.156 1.00 0.00 H new ATOM 546 N ILE A 37 7.091 -5.964 6.959 1.00 0.00 N ATOM 547 CA ILE A 37 7.534 -6.961 7.973 1.00 0.00 C ATOM 548 C ILE A 37 8.108 -6.307 9.214 1.00 0.00 C ATOM 549 O ILE A 37 8.162 -6.913 10.271 1.00 0.00 O ATOM 550 CB ILE A 37 8.583 -7.987 7.435 1.00 0.00 C ATOM 551 CG1 ILE A 37 9.995 -7.361 7.262 1.00 0.00 C ATOM 552 CG2 ILE A 37 8.102 -8.593 6.128 1.00 0.00 C ATOM 553 CD1 ILE A 37 10.124 -6.349 6.176 1.00 0.00 C ATOM 0 H ILE A 37 7.642 -5.963 6.101 1.00 0.00 H new ATOM 0 HA ILE A 37 6.621 -7.500 8.223 1.00 0.00 H new ATOM 0 HB ILE A 37 8.678 -8.774 8.183 1.00 0.00 H new ATOM 0 HG12 ILE A 37 10.284 -6.895 8.204 1.00 0.00 H new ATOM 0 HG13 ILE A 37 10.707 -8.164 7.072 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.842 -9.306 5.764 1.00 0.00 H new ATOM 0 HG22 ILE A 37 7.154 -9.105 6.292 1.00 0.00 H new ATOM 0 HG23 ILE A 37 7.965 -7.803 5.389 1.00 0.00 H new ATOM 0 HD11 ILE A 37 11.148 -5.978 6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 37 9.874 -6.808 5.219 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.444 -5.519 6.369 1.00 0.00 H new ATOM 565 N ASP A 38 8.549 -5.081 9.059 1.00 0.00 N ATOM 566 CA ASP A 38 9.141 -4.333 10.146 1.00 0.00 C ATOM 567 C ASP A 38 8.077 -3.846 11.127 1.00 0.00 C ATOM 568 O ASP A 38 8.377 -3.469 12.258 1.00 0.00 O ATOM 569 CB ASP A 38 9.942 -3.167 9.565 1.00 0.00 C ATOM 570 CG ASP A 38 10.479 -2.208 10.597 1.00 0.00 C ATOM 571 OD1 ASP A 38 11.410 -2.569 11.341 1.00 0.00 O ATOM 572 OD2 ASP A 38 10.009 -1.051 10.619 1.00 0.00 O ATOM 0 H ASP A 38 8.508 -4.572 8.176 1.00 0.00 H new ATOM 0 HA ASP A 38 9.811 -4.982 10.709 1.00 0.00 H new ATOM 0 HB2 ASP A 38 10.776 -3.566 8.988 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.308 -2.617 8.870 1.00 0.00 H new ATOM 577 N GLN A 39 6.831 -3.894 10.704 1.00 0.00 N ATOM 578 CA GLN A 39 5.753 -3.412 11.550 1.00 0.00 C ATOM 579 C GLN A 39 5.095 -4.622 12.204 1.00 0.00 C ATOM 580 O GLN A 39 5.342 -5.763 11.780 1.00 0.00 O ATOM 581 CB GLN A 39 4.688 -2.682 10.741 1.00 0.00 C ATOM 582 CG GLN A 39 5.137 -1.878 9.576 1.00 0.00 C ATOM 583 CD GLN A 39 6.213 -0.854 9.828 1.00 0.00 C ATOM 584 OE1 GLN A 39 7.370 -1.177 9.395 1.00 0.00 O flip ATOM 585 NE2 GLN A 39 5.955 0.265 10.243 1.00 0.00 N flip ATOM 0 H GLN A 39 6.540 -4.255 9.796 1.00 0.00 H new ATOM 0 HA GLN A 39 6.169 -2.720 12.283 1.00 0.00 H new ATOM 0 HB2 GLN A 39 3.973 -3.422 10.382 1.00 0.00 H new ATOM 0 HB3 GLN A 39 4.148 -2.020 11.418 1.00 0.00 H new ATOM 0 HG2 GLN A 39 5.495 -2.564 8.808 1.00 0.00 H new ATOM 0 HG3 GLN A 39 4.269 -1.363 9.164 1.00 0.00 H new ATOM 0 HE21 GLN A 39 5.017 0.480 10.580 1.00 0.00 H new ATOM 0 HE22 GLN A 39 6.678 0.985 10.253 1.00 0.00 H new ATOM 594 N ASP A 40 4.263 -4.407 13.202 1.00 0.00 N ATOM 595 CA ASP A 40 3.588 -5.530 13.820 1.00 0.00 C ATOM 596 C ASP A 40 2.146 -5.492 13.420 1.00 0.00 C ATOM 597 O ASP A 40 1.414 -4.604 13.870 1.00 0.00 O ATOM 598 CB ASP A 40 3.624 -5.497 15.327 1.00 0.00 C ATOM 599 CG ASP A 40 3.606 -6.890 15.901 1.00 0.00 C ATOM 600 OD1 ASP A 40 2.516 -7.513 16.000 1.00 0.00 O ATOM 601 OD2 ASP A 40 4.682 -7.417 16.219 1.00 0.00 O ATOM 0 H ASP A 40 4.042 -3.492 13.594 1.00 0.00 H new ATOM 0 HA ASP A 40 4.106 -6.429 13.486 1.00 0.00 H new ATOM 0 HB2 ASP A 40 4.520 -4.974 15.661 1.00 0.00 H new ATOM 0 HB3 ASP A 40 2.769 -4.935 15.702 1.00 0.00 H new ATOM 606 N PRO A 41 1.690 -6.462 12.611 1.00 0.00 N ATOM 607 CA PRO A 41 0.328 -6.493 12.070 1.00 0.00 C ATOM 608 C PRO A 41 -0.750 -6.402 13.144 1.00 0.00 C ATOM 609 O PRO A 41 -1.843 -5.902 12.897 1.00 0.00 O ATOM 610 CB PRO A 41 0.244 -7.834 11.317 1.00 0.00 C ATOM 611 CG PRO A 41 1.463 -8.597 11.717 1.00 0.00 C ATOM 612 CD PRO A 41 2.477 -7.594 12.150 1.00 0.00 C ATOM 0 HA PRO A 41 0.145 -5.629 11.431 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -0.663 -8.377 11.583 1.00 0.00 H new ATOM 0 HB3 PRO A 41 0.216 -7.677 10.239 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.236 -9.291 12.526 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.838 -9.191 10.883 1.00 0.00 H new ATOM 0 HD2 PRO A 41 3.111 -7.987 12.945 1.00 0.00 H new ATOM 0 HD3 PRO A 41 3.134 -7.313 11.327 1.00 0.00 H new ATOM 620 N SER A 42 -0.393 -6.809 14.340 1.00 0.00 N ATOM 621 CA SER A 42 -1.292 -6.820 15.475 1.00 0.00 C ATOM 622 C SER A 42 -1.692 -5.390 15.883 1.00 0.00 C ATOM 623 O SER A 42 -2.821 -5.140 16.314 1.00 0.00 O ATOM 624 CB SER A 42 -0.575 -7.477 16.628 1.00 0.00 C ATOM 625 OG SER A 42 0.130 -8.621 16.178 1.00 0.00 O ATOM 0 H SER A 42 0.544 -7.147 14.557 1.00 0.00 H new ATOM 0 HA SER A 42 -2.199 -7.363 15.209 1.00 0.00 H new ATOM 0 HB2 SER A 42 0.118 -6.770 17.085 1.00 0.00 H new ATOM 0 HB3 SER A 42 -1.293 -7.762 17.397 1.00 0.00 H new ATOM 0 HG SER A 42 1.074 -8.393 16.049 1.00 0.00 H new ATOM 631 N GLN A 43 -0.771 -4.458 15.712 1.00 0.00 N ATOM 632 CA GLN A 43 -0.985 -3.084 16.131 1.00 0.00 C ATOM 633 C GLN A 43 -1.071 -2.173 14.937 1.00 0.00 C ATOM 634 O GLN A 43 -1.005 -0.939 15.047 1.00 0.00 O ATOM 635 CB GLN A 43 0.118 -2.646 17.100 1.00 0.00 C ATOM 636 CG GLN A 43 1.530 -2.823 16.608 1.00 0.00 C ATOM 637 CD GLN A 43 2.420 -3.437 17.666 1.00 0.00 C ATOM 638 OE1 GLN A 43 1.878 -4.373 18.413 1.00 0.00 O flip ATOM 639 NE2 GLN A 43 3.615 -3.127 17.749 1.00 0.00 N flip ATOM 0 H GLN A 43 0.138 -4.630 15.283 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.936 -3.020 16.659 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -0.033 -1.594 17.342 1.00 0.00 H new ATOM 0 HB3 GLN A 43 0.004 -3.206 18.028 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.529 -3.457 15.721 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.935 -1.856 16.309 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.995 -2.394 17.150 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.220 -3.604 18.417 1.00 0.00 H new ATOM 648 N ASN A 44 -1.256 -2.779 13.813 1.00 0.00 N ATOM 649 CA ASN A 44 -1.334 -2.057 12.565 1.00 0.00 C ATOM 650 C ASN A 44 -2.745 -1.891 12.069 1.00 0.00 C ATOM 651 O ASN A 44 -3.523 -2.824 12.093 1.00 0.00 O ATOM 652 CB ASN A 44 -0.512 -2.708 11.503 1.00 0.00 C ATOM 653 CG ASN A 44 0.969 -2.488 11.640 1.00 0.00 C ATOM 654 OD1 ASN A 44 1.727 -3.321 11.242 1.00 0.00 O ATOM 655 ND2 ASN A 44 1.394 -1.361 12.165 1.00 0.00 N ATOM 0 H ASN A 44 -1.359 -3.790 13.722 1.00 0.00 H new ATOM 0 HA ASN A 44 -0.934 -1.065 12.777 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -0.710 -3.780 11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -0.834 -2.334 10.531 1.00 0.00 H new ATOM 0 HD21 ASN A 44 2.395 -1.179 12.241 1.00 0.00 H new ATOM 0 HD22 ASN A 44 0.723 -0.668 12.497 1.00 0.00 H new ATOM 662 N PRO A 45 -3.038 -0.718 11.488 1.00 0.00 N ATOM 663 CA PRO A 45 -4.392 -0.341 11.059 1.00 0.00 C ATOM 664 C PRO A 45 -4.926 -1.210 9.926 1.00 0.00 C ATOM 665 O PRO A 45 -6.057 -1.669 9.949 1.00 0.00 O ATOM 666 CB PRO A 45 -4.194 1.097 10.552 1.00 0.00 C ATOM 667 CG PRO A 45 -2.756 1.182 10.183 1.00 0.00 C ATOM 668 CD PRO A 45 -2.052 0.343 11.179 1.00 0.00 C ATOM 0 HA PRO A 45 -5.116 -0.453 11.866 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -4.834 1.305 9.695 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -4.447 1.825 11.322 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -2.587 0.817 9.170 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -2.401 2.212 10.214 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -1.128 -0.071 10.775 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -1.783 0.914 12.068 1.00 0.00 H new ATOM 676 N PHE A 46 -4.094 -1.441 8.948 1.00 0.00 N ATOM 677 CA PHE A 46 -4.504 -2.138 7.750 1.00 0.00 C ATOM 678 C PHE A 46 -3.824 -3.454 7.651 1.00 0.00 C ATOM 679 O PHE A 46 -3.765 -4.062 6.586 1.00 0.00 O ATOM 680 CB PHE A 46 -4.158 -1.290 6.547 1.00 0.00 C ATOM 681 CG PHE A 46 -4.768 0.064 6.620 1.00 0.00 C ATOM 682 CD1 PHE A 46 -6.132 0.246 6.461 1.00 0.00 C ATOM 683 CD2 PHE A 46 -3.983 1.152 6.884 1.00 0.00 C ATOM 684 CE1 PHE A 46 -6.683 1.500 6.562 1.00 0.00 C ATOM 685 CE2 PHE A 46 -4.526 2.402 6.989 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.869 2.583 6.830 1.00 0.00 C ATOM 0 H PHE A 46 -3.115 -1.154 8.954 1.00 0.00 H new ATOM 0 HA PHE A 46 -5.579 -2.312 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -3.075 -1.195 6.471 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -4.498 -1.792 5.641 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -6.766 -0.604 6.256 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -2.918 1.022 7.011 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -7.746 1.638 6.433 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -3.890 3.249 7.199 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.295 3.572 6.914 1.00 0.00 H new ATOM 696 N SER A 47 -3.310 -3.907 8.738 1.00 0.00 N ATOM 697 CA SER A 47 -2.626 -5.158 8.703 1.00 0.00 C ATOM 698 C SER A 47 -3.250 -6.112 9.695 1.00 0.00 C ATOM 699 O SER A 47 -3.021 -7.302 9.635 1.00 0.00 O ATOM 700 CB SER A 47 -1.160 -4.942 9.000 1.00 0.00 C ATOM 701 OG SER A 47 -0.350 -5.959 8.425 1.00 0.00 O ATOM 0 H SER A 47 -3.345 -3.445 9.647 1.00 0.00 H new ATOM 0 HA SER A 47 -2.714 -5.598 7.710 1.00 0.00 H new ATOM 0 HB2 SER A 47 -0.851 -3.970 8.616 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.007 -4.922 10.079 1.00 0.00 H new ATOM 0 HG SER A 47 0.194 -5.576 7.706 1.00 0.00 H new ATOM 782 N LYS A 53 2.331 -9.642 6.623 1.00 0.00 N ATOM 783 CA LYS A 53 3.058 -8.409 6.596 1.00 0.00 C ATOM 784 C LYS A 53 2.936 -7.770 5.199 1.00 0.00 C ATOM 785 O LYS A 53 1.878 -7.840 4.575 1.00 0.00 O ATOM 786 CB LYS A 53 4.507 -8.731 6.929 1.00 0.00 C ATOM 787 CG LYS A 53 4.723 -9.397 8.295 1.00 0.00 C ATOM 788 CD LYS A 53 4.491 -8.458 9.441 1.00 0.00 C ATOM 789 CE LYS A 53 5.280 -8.906 10.673 1.00 0.00 C ATOM 790 NZ LYS A 53 5.004 -10.312 11.066 1.00 0.00 N ATOM 0 HA LYS A 53 2.662 -7.697 7.320 1.00 0.00 H new ATOM 0 HB2 LYS A 53 4.906 -9.386 6.154 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.086 -7.808 6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 53 4.051 -10.250 8.389 1.00 0.00 H new ATOM 0 HG3 LYS A 53 5.740 -9.785 8.349 1.00 0.00 H new ATOM 0 HD2 LYS A 53 4.791 -7.449 9.158 1.00 0.00 H new ATOM 0 HD3 LYS A 53 3.428 -8.420 9.678 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.346 -8.794 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 53 5.041 -8.248 11.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.417 -10.498 12.002 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 3.976 -10.467 11.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.426 -10.957 10.367 1.00 0.00 H new ATOM 804 N GLY A 54 3.973 -7.092 4.764 1.00 0.00 N ATOM 805 CA GLY A 54 3.991 -6.482 3.442 1.00 0.00 C ATOM 806 C GLY A 54 3.614 -5.048 3.551 1.00 0.00 C ATOM 807 O GLY A 54 2.974 -4.697 4.476 1.00 0.00 O ATOM 0 H GLY A 54 4.824 -6.945 5.306 1.00 0.00 H new ATOM 0 HA2 GLY A 54 4.983 -6.575 3.001 1.00 0.00 H new ATOM 0 HA3 GLY A 54 3.298 -7.002 2.781 1.00 0.00 H new ATOM 811 N ILE A 55 4.041 -4.233 2.645 1.00 0.00 N ATOM 812 CA ILE A 55 3.792 -2.799 2.711 1.00 0.00 C ATOM 813 C ILE A 55 2.357 -2.479 2.300 1.00 0.00 C ATOM 814 O ILE A 55 1.907 -2.901 1.271 1.00 0.00 O ATOM 815 CB ILE A 55 4.827 -2.052 1.829 1.00 0.00 C ATOM 816 CG1 ILE A 55 6.235 -2.278 2.394 1.00 0.00 C ATOM 817 CG2 ILE A 55 4.513 -0.571 1.755 1.00 0.00 C ATOM 818 CD1 ILE A 55 6.525 -1.546 3.658 1.00 0.00 C ATOM 0 H ILE A 55 4.576 -4.526 1.828 1.00 0.00 H new ATOM 0 HA ILE A 55 3.911 -2.458 3.739 1.00 0.00 H new ATOM 0 HB ILE A 55 4.777 -2.450 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.375 -3.345 2.568 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.965 -1.980 1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.254 -0.073 1.131 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.522 -0.430 1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.537 -0.144 2.757 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.542 -1.767 3.981 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.423 -0.474 3.489 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.823 -1.861 4.430 1.00 0.00 H new ATOM 830 N TYR A 56 1.634 -1.768 3.141 1.00 0.00 N ATOM 831 CA TYR A 56 0.247 -1.432 2.861 1.00 0.00 C ATOM 832 C TYR A 56 0.036 0.039 2.861 1.00 0.00 C ATOM 833 O TYR A 56 0.725 0.758 3.575 1.00 0.00 O ATOM 834 CB TYR A 56 -0.717 -2.118 3.848 1.00 0.00 C ATOM 835 CG TYR A 56 -0.075 -2.415 5.178 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.046 -1.467 6.185 1.00 0.00 C ATOM 837 CD2 TYR A 56 0.461 -3.648 5.386 1.00 0.00 C ATOM 838 CE1 TYR A 56 0.714 -1.777 7.359 1.00 0.00 C ATOM 839 CE2 TYR A 56 1.108 -3.970 6.534 1.00 0.00 C ATOM 840 CZ TYR A 56 1.245 -3.048 7.517 1.00 0.00 C ATOM 841 OH TYR A 56 1.946 -3.392 8.636 1.00 0.00 O ATOM 0 H TYR A 56 1.983 -1.409 4.029 1.00 0.00 H new ATOM 0 HA TYR A 56 0.024 -1.808 1.862 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -1.586 -1.479 4.004 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -1.079 -3.047 3.409 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -0.382 -0.484 6.053 1.00 0.00 H new ATOM 0 HD2 TYR A 56 0.368 -4.395 4.612 1.00 0.00 H new ATOM 0 HE1 TYR A 56 0.820 -1.039 8.140 1.00 0.00 H new ATOM 0 HE2 TYR A 56 1.514 -4.962 6.664 1.00 0.00 H new ATOM 0 HH TYR A 56 1.331 -3.477 9.394 1.00 0.00 H new ATOM 851 N VAL A 57 -0.897 0.473 2.058 1.00 0.00 N ATOM 852 CA VAL A 57 -1.255 1.871 1.947 1.00 0.00 C ATOM 853 C VAL A 57 -2.050 2.307 3.160 1.00 0.00 C ATOM 854 O VAL A 57 -3.015 1.640 3.546 1.00 0.00 O ATOM 855 CB VAL A 57 -2.110 2.121 0.683 1.00 0.00 C ATOM 856 CG1 VAL A 57 -2.532 3.561 0.566 1.00 0.00 C ATOM 857 CG2 VAL A 57 -1.362 1.724 -0.538 1.00 0.00 C ATOM 0 H VAL A 57 -1.441 -0.140 1.451 1.00 0.00 H new ATOM 0 HA VAL A 57 -0.331 2.445 1.880 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.008 1.510 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -3.130 3.693 -0.335 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.124 3.839 1.438 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -1.648 4.196 0.510 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.979 1.907 -1.418 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.445 2.309 -0.609 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -1.113 0.664 -0.483 1.00 0.00 H new ATOM 867 N THR A 58 -1.662 3.403 3.747 1.00 0.00 N ATOM 868 CA THR A 58 -2.353 3.934 4.877 1.00 0.00 C ATOM 869 C THR A 58 -3.155 5.156 4.481 1.00 0.00 C ATOM 870 O THR A 58 -4.122 5.523 5.136 1.00 0.00 O ATOM 871 CB THR A 58 -1.347 4.282 5.948 1.00 0.00 C ATOM 872 OG1 THR A 58 -0.204 4.874 5.310 1.00 0.00 O ATOM 873 CG2 THR A 58 -0.955 3.041 6.746 1.00 0.00 C ATOM 0 H THR A 58 -0.855 3.952 3.451 1.00 0.00 H new ATOM 0 HA THR A 58 -3.049 3.189 5.263 1.00 0.00 H new ATOM 0 HB THR A 58 -1.780 4.990 6.655 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.524 4.963 5.960 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.230 3.315 7.512 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.841 2.618 7.220 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.514 2.302 6.077 1.00 0.00 H new ATOM 881 N ARG A 59 -2.749 5.765 3.391 1.00 0.00 N ATOM 882 CA ARG A 59 -3.381 6.943 2.847 1.00 0.00 C ATOM 883 C ARG A 59 -3.104 6.986 1.398 1.00 0.00 C ATOM 884 O ARG A 59 -2.043 6.599 1.006 1.00 0.00 O ATOM 885 CB ARG A 59 -2.756 8.198 3.419 1.00 0.00 C ATOM 886 CG ARG A 59 -3.110 8.537 4.843 1.00 0.00 C ATOM 887 CD ARG A 59 -2.393 9.790 5.292 1.00 0.00 C ATOM 888 NE ARG A 59 -0.925 9.667 5.208 1.00 0.00 N ATOM 889 CZ ARG A 59 -0.076 10.106 6.140 1.00 0.00 C ATOM 890 NH1 ARG A 59 -0.541 10.716 7.226 1.00 0.00 N ATOM 891 NH2 ARG A 59 1.237 9.944 5.971 1.00 0.00 N ATOM 0 H ARG A 59 -1.949 5.446 2.844 1.00 0.00 H new ATOM 0 HA ARG A 59 -4.445 6.900 3.080 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -1.672 8.101 3.351 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.041 9.039 2.787 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.187 8.678 4.931 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -2.843 7.706 5.496 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -2.719 10.630 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -2.676 10.017 6.320 1.00 0.00 H new ATOM 0 HE ARG A 59 -0.532 9.216 4.382 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -1.545 10.848 7.346 1.00 0.00 H new ATOM 0 HH12 ARG A 59 0.107 11.052 7.939 1.00 0.00 H new ATOM 0 HH21 ARG A 59 1.590 9.486 5.131 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.888 10.279 6.682 1.00 0.00 H new ATOM 905 N VAL A 60 -4.035 7.397 0.597 1.00 0.00 N ATOM 906 CA VAL A 60 -3.787 7.657 -0.706 1.00 0.00 C ATOM 907 C VAL A 60 -3.859 9.155 -0.880 1.00 0.00 C ATOM 908 O VAL A 60 -4.100 9.877 0.095 1.00 0.00 O ATOM 909 CB VAL A 60 -4.794 6.974 -1.601 1.00 0.00 C ATOM 910 CG1 VAL A 60 -4.663 5.468 -1.569 1.00 0.00 C ATOM 911 CG2 VAL A 60 -6.210 7.403 -1.328 1.00 0.00 C ATOM 0 H VAL A 60 -5.002 7.552 0.881 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.805 7.277 -0.986 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.555 7.303 -2.612 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -5.409 5.024 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -3.666 5.182 -1.904 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.820 5.111 -0.551 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.886 6.878 -2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.470 7.165 -0.296 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.302 8.477 -1.487 1.00 0.00 H new ATOM 921 N SER A 61 -3.653 9.617 -2.058 1.00 0.00 N ATOM 922 CA SER A 61 -3.764 11.007 -2.317 1.00 0.00 C ATOM 923 C SER A 61 -5.240 11.326 -2.455 1.00 0.00 C ATOM 924 O SER A 61 -5.919 10.686 -3.244 1.00 0.00 O ATOM 925 CB SER A 61 -3.019 11.344 -3.593 1.00 0.00 C ATOM 926 OG SER A 61 -2.997 12.730 -3.851 1.00 0.00 O ATOM 0 H SER A 61 -3.404 9.047 -2.867 1.00 0.00 H new ATOM 0 HA SER A 61 -3.330 11.596 -1.509 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.996 10.974 -3.522 1.00 0.00 H new ATOM 0 HB3 SER A 61 -3.487 10.828 -4.431 1.00 0.00 H new ATOM 0 HG SER A 61 -2.210 12.949 -4.393 1.00 0.00 H new ATOM 932 N GLU A 62 -5.703 12.307 -1.687 1.00 0.00 N ATOM 933 CA GLU A 62 -7.122 12.753 -1.610 1.00 0.00 C ATOM 934 C GLU A 62 -7.756 13.098 -2.977 1.00 0.00 C ATOM 935 O GLU A 62 -8.978 13.239 -3.097 1.00 0.00 O ATOM 936 CB GLU A 62 -7.206 13.964 -0.686 1.00 0.00 C ATOM 937 CG GLU A 62 -6.315 15.125 -1.119 1.00 0.00 C ATOM 938 CD GLU A 62 -6.451 16.329 -0.236 1.00 0.00 C ATOM 939 OE1 GLU A 62 -5.707 16.444 0.763 1.00 0.00 O ATOM 940 OE2 GLU A 62 -7.299 17.192 -0.536 1.00 0.00 O ATOM 0 H GLU A 62 -5.091 12.844 -1.072 1.00 0.00 H new ATOM 0 HA GLU A 62 -7.694 11.910 -1.222 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.240 14.307 -0.643 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.928 13.660 0.323 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.275 14.797 -1.120 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.562 15.403 -2.144 1.00 0.00 H new ATOM 947 N GLY A 63 -6.932 13.278 -3.958 1.00 0.00 N ATOM 948 CA GLY A 63 -7.373 13.571 -5.290 1.00 0.00 C ATOM 949 C GLY A 63 -6.210 13.475 -6.205 1.00 0.00 C ATOM 950 O GLY A 63 -6.000 14.323 -7.060 1.00 0.00 O ATOM 0 H GLY A 63 -5.918 13.226 -3.859 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.152 12.871 -5.593 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.807 14.570 -5.334 1.00 0.00 H new ATOM 954 N GLY A 64 -5.430 12.441 -5.999 1.00 0.00 N ATOM 955 CA GLY A 64 -4.224 12.278 -6.738 1.00 0.00 C ATOM 956 C GLY A 64 -4.197 11.003 -7.530 1.00 0.00 C ATOM 957 O GLY A 64 -5.192 10.271 -7.557 1.00 0.00 O ATOM 0 H GLY A 64 -5.619 11.703 -5.321 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -4.100 13.124 -7.414 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -3.377 12.292 -6.052 1.00 0.00 H new ATOM 961 N PRO A 65 -3.013 10.637 -8.068 1.00 0.00 N ATOM 962 CA PRO A 65 -2.863 9.521 -9.009 1.00 0.00 C ATOM 963 C PRO A 65 -3.213 8.195 -8.373 1.00 0.00 C ATOM 964 O PRO A 65 -3.686 7.293 -9.034 1.00 0.00 O ATOM 965 CB PRO A 65 -1.377 9.543 -9.368 1.00 0.00 C ATOM 966 CG PRO A 65 -0.715 10.262 -8.248 1.00 0.00 C ATOM 967 CD PRO A 65 -1.715 11.247 -7.734 1.00 0.00 C ATOM 0 HA PRO A 65 -3.526 9.627 -9.868 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -0.983 8.532 -9.475 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -1.209 10.052 -10.317 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.414 9.567 -7.464 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.188 10.767 -8.590 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.610 11.400 -6.660 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.597 12.221 -8.208 1.00 0.00 H new ATOM 975 N ALA A 66 -2.973 8.112 -7.079 1.00 0.00 N ATOM 976 CA ALA A 66 -3.240 6.936 -6.293 1.00 0.00 C ATOM 977 C ALA A 66 -4.682 6.508 -6.428 1.00 0.00 C ATOM 978 O ALA A 66 -4.964 5.455 -7.008 1.00 0.00 O ATOM 979 CB ALA A 66 -2.870 7.172 -4.841 1.00 0.00 C ATOM 0 H ALA A 66 -2.578 8.881 -6.538 1.00 0.00 H new ATOM 0 HA ALA A 66 -2.620 6.123 -6.672 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -3.078 6.273 -4.262 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -1.809 7.411 -4.770 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.456 8.002 -4.446 1.00 0.00 H new ATOM 985 N GLU A 67 -5.600 7.337 -5.962 1.00 0.00 N ATOM 986 CA GLU A 67 -7.007 6.975 -6.053 1.00 0.00 C ATOM 987 C GLU A 67 -7.521 7.023 -7.487 1.00 0.00 C ATOM 988 O GLU A 67 -8.376 6.229 -7.864 1.00 0.00 O ATOM 989 CB GLU A 67 -7.904 7.774 -5.117 1.00 0.00 C ATOM 990 CG GLU A 67 -7.792 9.279 -5.218 1.00 0.00 C ATOM 991 CD GLU A 67 -8.932 9.943 -4.492 1.00 0.00 C ATOM 992 OE1 GLU A 67 -9.138 9.665 -3.294 1.00 0.00 O ATOM 993 OE2 GLU A 67 -9.697 10.692 -5.140 1.00 0.00 O ATOM 0 H GLU A 67 -5.408 8.240 -5.529 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.059 5.940 -5.714 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -8.939 7.493 -5.309 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.679 7.480 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -6.843 9.608 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.796 9.580 -6.266 1.00 0.00 H new ATOM 1000 N ILE A 68 -6.966 7.929 -8.288 1.00 0.00 N ATOM 1001 CA ILE A 68 -7.331 8.060 -9.698 1.00 0.00 C ATOM 1002 C ILE A 68 -7.058 6.759 -10.470 1.00 0.00 C ATOM 1003 O ILE A 68 -7.861 6.337 -11.317 1.00 0.00 O ATOM 1004 CB ILE A 68 -6.595 9.276 -10.363 1.00 0.00 C ATOM 1005 CG1 ILE A 68 -7.185 10.623 -9.883 1.00 0.00 C ATOM 1006 CG2 ILE A 68 -6.554 9.199 -11.886 1.00 0.00 C ATOM 1007 CD1 ILE A 68 -8.663 10.822 -10.188 1.00 0.00 C ATOM 0 H ILE A 68 -6.253 8.591 -7.981 1.00 0.00 H new ATOM 0 HA ILE A 68 -8.403 8.253 -9.744 1.00 0.00 H new ATOM 0 HB ILE A 68 -5.559 9.219 -10.030 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -7.037 10.704 -8.806 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.622 11.434 -10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -6.031 10.070 -12.280 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -6.030 8.293 -12.191 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -7.571 9.179 -12.277 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.984 11.794 -9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.821 10.778 -11.266 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.243 10.037 -9.704 1.00 0.00 H new ATOM 1019 N ALA A 69 -5.949 6.124 -10.165 1.00 0.00 N ATOM 1020 CA ALA A 69 -5.595 4.892 -10.825 1.00 0.00 C ATOM 1021 C ALA A 69 -6.330 3.708 -10.215 1.00 0.00 C ATOM 1022 O ALA A 69 -6.742 2.791 -10.932 1.00 0.00 O ATOM 1023 CB ALA A 69 -4.112 4.676 -10.773 1.00 0.00 C ATOM 0 H ALA A 69 -5.279 6.441 -9.465 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.899 4.971 -11.869 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.863 3.742 -11.276 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.606 5.503 -11.272 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.788 4.626 -9.734 1.00 0.00 H new ATOM 1029 N GLY A 70 -6.479 3.717 -8.904 1.00 0.00 N ATOM 1030 CA GLY A 70 -7.202 2.646 -8.253 1.00 0.00 C ATOM 1031 C GLY A 70 -6.506 2.100 -7.027 1.00 0.00 C ATOM 1032 O GLY A 70 -6.802 1.000 -6.580 1.00 0.00 O ATOM 0 H GLY A 70 -6.117 4.439 -8.281 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -8.190 3.007 -7.968 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -7.352 1.835 -8.966 1.00 0.00 H new ATOM 1036 N LEU A 71 -5.569 2.847 -6.496 1.00 0.00 N ATOM 1037 CA LEU A 71 -4.890 2.446 -5.290 1.00 0.00 C ATOM 1038 C LEU A 71 -5.728 2.843 -4.114 1.00 0.00 C ATOM 1039 O LEU A 71 -6.165 3.990 -4.023 1.00 0.00 O ATOM 1040 CB LEU A 71 -3.469 3.039 -5.239 1.00 0.00 C ATOM 1041 CG LEU A 71 -2.576 2.681 -4.040 1.00 0.00 C ATOM 1042 CD1 LEU A 71 -2.795 1.231 -3.634 1.00 0.00 C ATOM 1043 CD2 LEU A 71 -1.163 2.775 -4.488 1.00 0.00 C ATOM 0 H LEU A 71 -5.259 3.739 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 71 -4.764 1.364 -5.268 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.948 2.733 -6.146 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -3.560 4.125 -5.274 1.00 0.00 H new ATOM 0 HG LEU A 71 -2.807 3.350 -3.211 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.156 0.991 -2.784 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.839 1.085 -3.357 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.547 0.578 -4.470 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -0.501 2.526 -3.659 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -0.994 2.078 -5.309 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -0.955 3.790 -4.826 1.00 0.00 H new ATOM 1055 N GLN A 72 -5.998 1.895 -3.251 1.00 0.00 N ATOM 1056 CA GLN A 72 -6.866 2.118 -2.144 1.00 0.00 C ATOM 1057 C GLN A 72 -6.125 1.990 -0.841 1.00 0.00 C ATOM 1058 O GLN A 72 -5.097 1.304 -0.740 1.00 0.00 O ATOM 1059 CB GLN A 72 -8.025 1.127 -2.189 1.00 0.00 C ATOM 1060 CG GLN A 72 -8.843 1.198 -3.459 1.00 0.00 C ATOM 1061 CD GLN A 72 -9.606 2.490 -3.583 1.00 0.00 C ATOM 1062 OE1 GLN A 72 -10.765 2.589 -3.165 1.00 0.00 O ATOM 1063 NE2 GLN A 72 -8.970 3.492 -4.116 1.00 0.00 N ATOM 0 H GLN A 72 -5.617 0.950 -3.305 1.00 0.00 H new ATOM 0 HA GLN A 72 -7.256 3.134 -2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -7.631 0.117 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -8.679 1.309 -1.336 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -8.183 1.086 -4.319 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -9.543 0.363 -3.483 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -8.014 3.370 -4.449 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -9.428 4.400 -4.201 1.00 0.00 H new ATOM 1072 N ILE A 73 -6.610 2.703 0.120 1.00 0.00 N ATOM 1073 CA ILE A 73 -6.117 2.646 1.465 1.00 0.00 C ATOM 1074 C ILE A 73 -6.476 1.291 2.069 1.00 0.00 C ATOM 1075 O ILE A 73 -7.628 0.864 2.002 1.00 0.00 O ATOM 1076 CB ILE A 73 -6.751 3.772 2.325 1.00 0.00 C ATOM 1077 CG1 ILE A 73 -6.393 5.147 1.763 1.00 0.00 C ATOM 1078 CG2 ILE A 73 -6.325 3.662 3.766 1.00 0.00 C ATOM 1079 CD1 ILE A 73 -6.936 6.310 2.572 1.00 0.00 C ATOM 0 H ILE A 73 -7.380 3.360 -0.006 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.035 2.780 1.452 1.00 0.00 H new ATOM 0 HB ILE A 73 -7.834 3.653 2.285 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -5.308 5.233 1.707 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -6.771 5.220 0.743 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -6.785 4.464 4.344 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -6.641 2.699 4.166 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -5.240 3.744 3.832 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -6.637 7.249 2.106 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -8.024 6.252 2.607 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.538 6.266 3.586 1.00 0.00 H new ATOM 1091 N GLY A 74 -5.504 0.631 2.652 1.00 0.00 N ATOM 1092 CA GLY A 74 -5.758 -0.655 3.257 1.00 0.00 C ATOM 1093 C GLY A 74 -5.339 -1.811 2.389 1.00 0.00 C ATOM 1094 O GLY A 74 -5.552 -2.984 2.747 1.00 0.00 O ATOM 0 H GLY A 74 -4.540 0.958 2.720 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -5.229 -0.713 4.208 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -6.822 -0.742 3.478 1.00 0.00 H new ATOM 1098 N ASP A 75 -4.736 -1.512 1.272 1.00 0.00 N ATOM 1099 CA ASP A 75 -4.329 -2.531 0.354 1.00 0.00 C ATOM 1100 C ASP A 75 -2.865 -2.805 0.441 1.00 0.00 C ATOM 1101 O ASP A 75 -2.036 -1.876 0.464 1.00 0.00 O ATOM 1102 CB ASP A 75 -4.825 -2.235 -1.058 1.00 0.00 C ATOM 1103 CG ASP A 75 -6.302 -2.558 -1.180 1.00 0.00 C ATOM 1104 OD1 ASP A 75 -6.661 -3.751 -1.194 1.00 0.00 O ATOM 1105 OD2 ASP A 75 -7.129 -1.651 -1.219 1.00 0.00 O ATOM 0 H ASP A 75 -4.515 -0.561 0.977 1.00 0.00 H new ATOM 0 HA ASP A 75 -4.809 -3.465 0.646 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.655 -1.185 -1.297 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -4.257 -2.822 -1.780 1.00 0.00 H new ATOM 1110 N LYS A 76 -2.546 -4.085 0.589 1.00 0.00 N ATOM 1111 CA LYS A 76 -1.180 -4.535 0.726 1.00 0.00 C ATOM 1112 C LYS A 76 -0.517 -4.595 -0.616 1.00 0.00 C ATOM 1113 O LYS A 76 -0.941 -5.341 -1.501 1.00 0.00 O ATOM 1114 CB LYS A 76 -1.092 -5.909 1.389 1.00 0.00 C ATOM 1115 CG LYS A 76 -1.505 -5.973 2.847 1.00 0.00 C ATOM 1116 CD LYS A 76 -1.399 -7.406 3.362 1.00 0.00 C ATOM 1117 CE LYS A 76 -1.611 -7.505 4.870 1.00 0.00 C ATOM 1118 NZ LYS A 76 -0.482 -6.912 5.620 1.00 0.00 N ATOM 0 H LYS A 76 -3.235 -4.837 0.617 1.00 0.00 H new ATOM 0 HA LYS A 76 -0.669 -3.815 1.365 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.715 -6.603 0.825 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -0.065 -6.264 1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.869 -5.317 3.442 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.528 -5.613 2.959 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -2.137 -8.026 2.854 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.417 -7.807 3.110 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -2.536 -6.996 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -1.727 -8.551 5.154 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.676 -6.967 6.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.391 -7.435 5.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -0.366 -5.916 5.343 1.00 0.00 H new ATOM 1132 N ILE A 77 0.507 -3.839 -0.751 1.00 0.00 N ATOM 1133 CA ILE A 77 1.255 -3.725 -1.947 1.00 0.00 C ATOM 1134 C ILE A 77 2.276 -4.833 -2.004 1.00 0.00 C ATOM 1135 O ILE A 77 3.131 -4.966 -1.134 1.00 0.00 O ATOM 1136 CB ILE A 77 1.972 -2.393 -1.956 1.00 0.00 C ATOM 1137 CG1 ILE A 77 0.959 -1.293 -1.714 1.00 0.00 C ATOM 1138 CG2 ILE A 77 2.656 -2.191 -3.294 1.00 0.00 C ATOM 1139 CD1 ILE A 77 1.557 -0.078 -1.134 1.00 0.00 C ATOM 0 H ILE A 77 0.864 -3.255 0.005 1.00 0.00 H new ATOM 0 HA ILE A 77 0.588 -3.795 -2.806 1.00 0.00 H new ATOM 0 HB ILE A 77 2.729 -2.370 -1.172 1.00 0.00 H new ATOM 0 HG12 ILE A 77 0.475 -1.039 -2.657 1.00 0.00 H new ATOM 0 HG13 ILE A 77 0.181 -1.663 -1.046 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.172 -1.231 -3.298 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.378 -2.991 -3.458 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.911 -2.206 -4.089 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.782 0.673 -0.984 1.00 0.00 H new ATOM 0 HD12 ILE A 77 2.017 -0.321 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.315 0.314 -1.812 1.00 0.00 H new ATOM 1151 N MET A 78 2.191 -5.605 -3.029 1.00 0.00 N ATOM 1152 CA MET A 78 3.040 -6.729 -3.194 1.00 0.00 C ATOM 1153 C MET A 78 3.995 -6.511 -4.344 1.00 0.00 C ATOM 1154 O MET A 78 4.928 -7.281 -4.545 1.00 0.00 O ATOM 1155 CB MET A 78 2.211 -8.004 -3.377 1.00 0.00 C ATOM 1156 CG MET A 78 1.384 -8.337 -2.143 1.00 0.00 C ATOM 1157 SD MET A 78 2.417 -8.611 -0.691 1.00 0.00 S ATOM 1158 CE MET A 78 1.197 -8.631 0.594 1.00 0.00 C ATOM 0 H MET A 78 1.521 -5.471 -3.786 1.00 0.00 H new ATOM 0 HA MET A 78 3.639 -6.852 -2.292 1.00 0.00 H new ATOM 0 HB2 MET A 78 1.549 -7.884 -4.234 1.00 0.00 H new ATOM 0 HB3 MET A 78 2.876 -8.838 -3.602 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.687 -7.523 -1.943 1.00 0.00 H new ATOM 0 HG3 MET A 78 0.787 -9.228 -2.336 1.00 0.00 H new ATOM 0 HE1 MET A 78 1.510 -7.972 1.403 1.00 0.00 H new ATOM 0 HE2 MET A 78 0.243 -8.288 0.195 1.00 0.00 H new ATOM 0 HE3 MET A 78 1.087 -9.646 0.975 1.00 0.00 H new ATOM 1168 N GLN A 79 3.809 -5.433 -5.072 1.00 0.00 N ATOM 1169 CA GLN A 79 4.652 -5.152 -6.206 1.00 0.00 C ATOM 1170 C GLN A 79 4.661 -3.659 -6.443 1.00 0.00 C ATOM 1171 O GLN A 79 3.631 -3.041 -6.385 1.00 0.00 O ATOM 1172 CB GLN A 79 4.111 -5.883 -7.444 1.00 0.00 C ATOM 1173 CG GLN A 79 5.164 -6.543 -8.309 1.00 0.00 C ATOM 1174 CD GLN A 79 6.108 -5.597 -8.971 1.00 0.00 C ATOM 1175 OE1 GLN A 79 7.243 -5.916 -9.138 1.00 0.00 O ATOM 1176 NE2 GLN A 79 5.650 -4.455 -9.393 1.00 0.00 N ATOM 0 H GLN A 79 3.082 -4.739 -4.897 1.00 0.00 H new ATOM 0 HA GLN A 79 5.668 -5.497 -6.014 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.402 -6.644 -7.117 1.00 0.00 H new ATOM 0 HB3 GLN A 79 3.556 -5.171 -8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 79 5.737 -7.237 -7.694 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.666 -7.135 -9.077 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.673 -4.208 -9.236 1.00 0.00 H new ATOM 0 HE22 GLN A 79 6.268 -3.807 -9.881 1.00 0.00 H new ATOM 1185 N VAL A 80 5.823 -3.098 -6.669 1.00 0.00 N ATOM 1186 CA VAL A 80 5.970 -1.676 -6.973 1.00 0.00 C ATOM 1187 C VAL A 80 6.955 -1.521 -8.092 1.00 0.00 C ATOM 1188 O VAL A 80 8.032 -2.077 -8.026 1.00 0.00 O ATOM 1189 CB VAL A 80 6.460 -0.849 -5.742 1.00 0.00 C ATOM 1190 CG1 VAL A 80 6.893 0.569 -6.125 1.00 0.00 C ATOM 1191 CG2 VAL A 80 5.378 -0.788 -4.705 1.00 0.00 C ATOM 0 H VAL A 80 6.706 -3.609 -6.650 1.00 0.00 H new ATOM 0 HA VAL A 80 4.989 -1.293 -7.254 1.00 0.00 H new ATOM 0 HB VAL A 80 7.335 -1.358 -5.338 1.00 0.00 H new ATOM 0 HG11 VAL A 80 7.225 1.101 -5.234 1.00 0.00 H new ATOM 0 HG12 VAL A 80 7.712 0.518 -6.843 1.00 0.00 H new ATOM 0 HG13 VAL A 80 6.051 1.098 -6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 80 5.726 -0.210 -3.849 1.00 0.00 H new ATOM 0 HG22 VAL A 80 4.494 -0.312 -5.129 1.00 0.00 H new ATOM 0 HG23 VAL A 80 5.126 -1.798 -4.382 1.00 0.00 H new ATOM 1201 N ASN A 81 6.515 -0.890 -9.158 1.00 0.00 N ATOM 1202 CA ASN A 81 7.282 -0.503 -10.336 1.00 0.00 C ATOM 1203 C ASN A 81 7.652 -1.693 -11.227 1.00 0.00 C ATOM 1204 O ASN A 81 7.602 -1.602 -12.440 1.00 0.00 O ATOM 1205 CB ASN A 81 8.529 0.320 -9.984 1.00 0.00 C ATOM 1206 CG ASN A 81 9.075 1.018 -11.203 1.00 0.00 C ATOM 1207 OD1 ASN A 81 8.182 1.509 -12.026 1.00 0.00 O flip ATOM 1208 ND2 ASN A 81 10.273 1.168 -11.373 1.00 0.00 N flip ATOM 0 H ASN A 81 5.537 -0.610 -9.236 1.00 0.00 H new ATOM 0 HA ASN A 81 6.614 0.137 -10.912 1.00 0.00 H new ATOM 0 HB2 ASN A 81 8.280 1.056 -9.220 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.293 -0.333 -9.561 1.00 0.00 H new ATOM 0 HD21 ASN A 81 10.936 0.769 -10.708 1.00 0.00 H new ATOM 0 HD22 ASN A 81 10.612 1.692 -12.180 1.00 0.00 H new ATOM 1215 N GLY A 82 7.904 -2.790 -10.593 1.00 0.00 N ATOM 1216 CA GLY A 82 8.423 -3.986 -11.212 1.00 0.00 C ATOM 1217 C GLY A 82 9.546 -4.561 -10.357 1.00 0.00 C ATOM 1218 O GLY A 82 10.307 -5.427 -10.797 1.00 0.00 O ATOM 0 H GLY A 82 7.751 -2.892 -9.590 1.00 0.00 H new ATOM 0 HA2 GLY A 82 7.627 -4.722 -11.327 1.00 0.00 H new ATOM 0 HA3 GLY A 82 8.794 -3.758 -12.211 1.00 0.00 H new ATOM 1222 N TRP A 83 9.610 -4.081 -9.117 1.00 0.00 N ATOM 1223 CA TRP A 83 10.679 -4.427 -8.170 1.00 0.00 C ATOM 1224 C TRP A 83 10.281 -5.530 -7.135 1.00 0.00 C ATOM 1225 O TRP A 83 11.169 -6.134 -6.520 1.00 0.00 O ATOM 1226 CB TRP A 83 11.121 -3.121 -7.458 1.00 0.00 C ATOM 1227 CG TRP A 83 10.738 -2.988 -5.990 1.00 0.00 C ATOM 1228 CD1 TRP A 83 9.500 -2.726 -5.490 1.00 0.00 C ATOM 1229 CD2 TRP A 83 11.610 -3.083 -4.845 1.00 0.00 C ATOM 1230 NE1 TRP A 83 9.537 -2.681 -4.126 1.00 0.00 N ATOM 1231 CE2 TRP A 83 10.814 -2.887 -3.706 1.00 0.00 C ATOM 1232 CE3 TRP A 83 12.979 -3.323 -4.672 1.00 0.00 C ATOM 1233 CZ2 TRP A 83 11.323 -2.920 -2.422 1.00 0.00 C ATOM 1234 CZ3 TRP A 83 13.489 -3.353 -3.380 1.00 0.00 C ATOM 1235 CH2 TRP A 83 12.658 -3.152 -2.269 1.00 0.00 C ATOM 0 H TRP A 83 8.919 -3.436 -8.734 1.00 0.00 H new ATOM 0 HA TRP A 83 11.503 -4.866 -8.733 1.00 0.00 H new ATOM 0 HB2 TRP A 83 12.205 -3.039 -7.537 1.00 0.00 H new ATOM 0 HB3 TRP A 83 10.697 -2.276 -8.000 1.00 0.00 H new ATOM 0 HD1 TRP A 83 8.613 -2.575 -6.088 1.00 0.00 H new ATOM 0 HE1 TRP A 83 8.734 -2.519 -3.518 1.00 0.00 H new ATOM 0 HE3 TRP A 83 13.624 -3.481 -5.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 10.683 -2.767 -1.566 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 14.543 -3.534 -3.229 1.00 0.00 H new ATOM 0 HH2 TRP A 83 13.082 -3.181 -1.276 1.00 0.00 H new ATOM 1246 N ASP A 84 8.954 -5.806 -6.994 1.00 0.00 N ATOM 1247 CA ASP A 84 8.369 -6.737 -5.986 1.00 0.00 C ATOM 1248 C ASP A 84 8.464 -6.160 -4.559 1.00 0.00 C ATOM 1249 O ASP A 84 9.541 -6.075 -3.971 1.00 0.00 O ATOM 1250 CB ASP A 84 9.012 -8.118 -6.075 1.00 0.00 C ATOM 1251 CG ASP A 84 8.325 -9.174 -5.281 1.00 0.00 C ATOM 1252 OD1 ASP A 84 7.166 -9.516 -5.596 1.00 0.00 O ATOM 1253 OD2 ASP A 84 8.959 -9.729 -4.368 1.00 0.00 O ATOM 0 H ASP A 84 8.246 -5.378 -7.591 1.00 0.00 H new ATOM 0 HA ASP A 84 7.310 -6.850 -6.217 1.00 0.00 H new ATOM 0 HB2 ASP A 84 9.037 -8.426 -7.120 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.047 -8.045 -5.740 1.00 0.00 H new ATOM 1258 N MET A 85 7.325 -5.774 -3.997 1.00 0.00 N ATOM 1259 CA MET A 85 7.290 -5.110 -2.673 1.00 0.00 C ATOM 1260 C MET A 85 6.635 -6.011 -1.611 1.00 0.00 C ATOM 1261 O MET A 85 6.446 -5.623 -0.462 1.00 0.00 O ATOM 1262 CB MET A 85 6.590 -3.712 -2.776 1.00 0.00 C ATOM 1263 CG MET A 85 6.451 -2.969 -1.438 1.00 0.00 C ATOM 1264 SD MET A 85 6.220 -1.190 -1.551 1.00 0.00 S ATOM 1265 CE MET A 85 7.834 -0.659 -2.114 1.00 0.00 C ATOM 0 H MET A 85 6.408 -5.903 -4.426 1.00 0.00 H new ATOM 0 HA MET A 85 8.316 -4.939 -2.347 1.00 0.00 H new ATOM 0 HB2 MET A 85 7.155 -3.087 -3.467 1.00 0.00 H new ATOM 0 HB3 MET A 85 5.598 -3.847 -3.207 1.00 0.00 H new ATOM 0 HG2 MET A 85 5.606 -3.392 -0.895 1.00 0.00 H new ATOM 0 HG3 MET A 85 7.343 -3.163 -0.842 1.00 0.00 H new ATOM 0 HE1 MET A 85 8.060 0.323 -1.698 1.00 0.00 H new ATOM 0 HE2 MET A 85 8.588 -1.375 -1.785 1.00 0.00 H new ATOM 0 HE3 MET A 85 7.839 -0.602 -3.202 1.00 0.00 H new ATOM 1275 N THR A 86 6.369 -7.229 -1.989 1.00 0.00 N ATOM 1276 CA THR A 86 5.697 -8.189 -1.103 1.00 0.00 C ATOM 1277 C THR A 86 6.422 -8.409 0.262 1.00 0.00 C ATOM 1278 O THR A 86 5.776 -8.720 1.268 1.00 0.00 O ATOM 1279 CB THR A 86 5.435 -9.530 -1.833 1.00 0.00 C ATOM 1280 OG1 THR A 86 4.857 -10.515 -0.960 1.00 0.00 O ATOM 1281 CG2 THR A 86 6.691 -10.063 -2.437 1.00 0.00 C ATOM 0 H THR A 86 6.602 -7.601 -2.910 1.00 0.00 H new ATOM 0 HA THR A 86 4.738 -7.739 -0.848 1.00 0.00 H new ATOM 0 HB THR A 86 4.718 -9.322 -2.627 1.00 0.00 H new ATOM 0 HG1 THR A 86 3.980 -10.204 -0.651 1.00 0.00 H new ATOM 0 HG21 THR A 86 6.480 -11.005 -2.943 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.082 -9.344 -3.156 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.429 -10.230 -1.653 1.00 0.00 H new ATOM 1289 N MET A 87 7.723 -8.219 0.298 1.00 0.00 N ATOM 1290 CA MET A 87 8.472 -8.374 1.520 1.00 0.00 C ATOM 1291 C MET A 87 9.584 -7.344 1.573 1.00 0.00 C ATOM 1292 O MET A 87 10.637 -7.527 0.969 1.00 0.00 O ATOM 1293 CB MET A 87 9.033 -9.801 1.652 1.00 0.00 C ATOM 1294 CG MET A 87 9.816 -10.045 2.934 1.00 0.00 C ATOM 1295 SD MET A 87 10.469 -11.729 3.066 1.00 0.00 S ATOM 1296 CE MET A 87 8.951 -12.693 3.160 1.00 0.00 C ATOM 0 H MET A 87 8.284 -7.955 -0.512 1.00 0.00 H new ATOM 0 HA MET A 87 7.801 -8.211 2.363 1.00 0.00 H new ATOM 0 HB2 MET A 87 8.207 -10.511 1.603 1.00 0.00 H new ATOM 0 HB3 MET A 87 9.680 -10.006 0.799 1.00 0.00 H new ATOM 0 HG2 MET A 87 10.643 -9.337 2.987 1.00 0.00 H new ATOM 0 HG3 MET A 87 9.171 -9.845 3.789 1.00 0.00 H new ATOM 0 HE1 MET A 87 9.181 -13.700 3.507 1.00 0.00 H new ATOM 0 HE2 MET A 87 8.261 -12.217 3.857 1.00 0.00 H new ATOM 0 HE3 MET A 87 8.492 -12.746 2.173 1.00 0.00 H new ATOM 1306 N VAL A 88 9.325 -6.245 2.241 1.00 0.00 N ATOM 1307 CA VAL A 88 10.287 -5.181 2.370 1.00 0.00 C ATOM 1308 C VAL A 88 9.942 -4.362 3.607 1.00 0.00 C ATOM 1309 O VAL A 88 8.769 -4.353 4.059 1.00 0.00 O ATOM 1310 CB VAL A 88 10.297 -4.279 1.100 1.00 0.00 C ATOM 1311 CG1 VAL A 88 8.953 -3.629 0.868 1.00 0.00 C ATOM 1312 CG2 VAL A 88 11.392 -3.238 1.170 1.00 0.00 C ATOM 0 H VAL A 88 8.438 -6.065 2.711 1.00 0.00 H new ATOM 0 HA VAL A 88 11.285 -5.606 2.474 1.00 0.00 H new ATOM 0 HB VAL A 88 10.504 -4.928 0.249 1.00 0.00 H new ATOM 0 HG11 VAL A 88 8.999 -3.008 -0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 88 8.194 -4.400 0.736 1.00 0.00 H new ATOM 0 HG13 VAL A 88 8.695 -3.010 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.370 -2.626 0.268 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.236 -2.604 2.043 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.360 -3.733 1.250 1.00 0.00 H new ATOM 1322 N THR A 89 10.935 -3.757 4.209 1.00 0.00 N ATOM 1323 CA THR A 89 10.727 -2.937 5.361 1.00 0.00 C ATOM 1324 C THR A 89 10.105 -1.633 4.952 1.00 0.00 C ATOM 1325 O THR A 89 10.229 -1.220 3.801 1.00 0.00 O ATOM 1326 CB THR A 89 12.045 -2.657 6.116 1.00 0.00 C ATOM 1327 OG1 THR A 89 13.047 -2.201 5.199 1.00 0.00 O ATOM 1328 CG2 THR A 89 12.530 -3.889 6.850 1.00 0.00 C ATOM 0 H THR A 89 11.908 -3.823 3.909 1.00 0.00 H new ATOM 0 HA THR A 89 10.061 -3.479 6.032 1.00 0.00 H new ATOM 0 HB THR A 89 11.854 -1.880 6.856 1.00 0.00 H new ATOM 0 HG1 THR A 89 13.734 -2.892 5.095 1.00 0.00 H new ATOM 0 HG21 THR A 89 13.459 -3.660 7.371 1.00 0.00 H new ATOM 0 HG22 THR A 89 11.776 -4.202 7.572 1.00 0.00 H new ATOM 0 HG23 THR A 89 12.704 -4.693 6.135 1.00 0.00 H new ATOM 1336 N HIS A 90 9.414 -1.006 5.883 1.00 0.00 N ATOM 1337 CA HIS A 90 8.835 0.318 5.689 1.00 0.00 C ATOM 1338 C HIS A 90 9.916 1.269 5.171 1.00 0.00 C ATOM 1339 O HIS A 90 9.715 1.991 4.212 1.00 0.00 O ATOM 1340 CB HIS A 90 8.279 0.825 7.043 1.00 0.00 C ATOM 1341 CG HIS A 90 7.580 2.162 7.004 1.00 0.00 C ATOM 1342 ND1 HIS A 90 6.244 2.324 7.263 1.00 0.00 N ATOM 1343 CD2 HIS A 90 8.050 3.399 6.702 1.00 0.00 C ATOM 1344 CE1 HIS A 90 5.937 3.601 7.095 1.00 0.00 C ATOM 1345 NE2 HIS A 90 7.003 4.310 6.763 1.00 0.00 N ATOM 0 H HIS A 90 9.234 -1.401 6.806 1.00 0.00 H new ATOM 0 HA HIS A 90 8.025 0.274 4.961 1.00 0.00 H new ATOM 0 HB2 HIS A 90 7.581 0.082 7.429 1.00 0.00 H new ATOM 0 HB3 HIS A 90 9.104 0.887 7.753 1.00 0.00 H new ATOM 0 HD2 HIS A 90 9.074 3.637 6.454 1.00 0.00 H new ATOM 0 HE1 HIS A 90 4.945 4.011 7.214 1.00 0.00 H new ATOM 0 HE2 HIS A 90 7.047 5.314 6.589 1.00 0.00 H new ATOM 1353 N ASP A 91 11.064 1.168 5.778 1.00 0.00 N ATOM 1354 CA ASP A 91 12.214 2.019 5.511 1.00 0.00 C ATOM 1355 C ASP A 91 12.684 1.864 4.074 1.00 0.00 C ATOM 1356 O ASP A 91 12.920 2.848 3.372 1.00 0.00 O ATOM 1357 CB ASP A 91 13.333 1.615 6.454 1.00 0.00 C ATOM 1358 CG ASP A 91 14.520 2.548 6.462 1.00 0.00 C ATOM 1359 OD1 ASP A 91 15.406 2.418 5.610 1.00 0.00 O ATOM 1360 OD2 ASP A 91 14.597 3.423 7.355 1.00 0.00 O ATOM 0 H ASP A 91 11.243 0.470 6.500 1.00 0.00 H new ATOM 0 HA ASP A 91 11.934 3.061 5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 91 12.932 1.551 7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 91 13.675 0.616 6.183 1.00 0.00 H new ATOM 1365 N GLN A 92 12.800 0.632 3.633 1.00 0.00 N ATOM 1366 CA GLN A 92 13.277 0.354 2.287 1.00 0.00 C ATOM 1367 C GLN A 92 12.212 0.607 1.239 1.00 0.00 C ATOM 1368 O GLN A 92 12.519 1.010 0.117 1.00 0.00 O ATOM 1369 CB GLN A 92 13.835 -1.066 2.172 1.00 0.00 C ATOM 1370 CG GLN A 92 15.357 -1.139 2.200 1.00 0.00 C ATOM 1371 CD GLN A 92 16.001 -0.563 3.454 1.00 0.00 C ATOM 1372 OE1 GLN A 92 17.096 -0.009 3.392 1.00 0.00 O ATOM 1373 NE2 GLN A 92 15.378 -0.732 4.593 1.00 0.00 N ATOM 0 H GLN A 92 12.572 -0.197 4.182 1.00 0.00 H new ATOM 0 HA GLN A 92 14.092 1.052 2.093 1.00 0.00 H new ATOM 0 HB2 GLN A 92 13.438 -1.669 2.989 1.00 0.00 H new ATOM 0 HB3 GLN A 92 13.477 -1.512 1.244 1.00 0.00 H new ATOM 0 HG2 GLN A 92 15.659 -2.182 2.100 1.00 0.00 H new ATOM 0 HG3 GLN A 92 15.748 -0.609 1.331 1.00 0.00 H new ATOM 0 HE21 GLN A 92 14.470 -1.196 4.614 1.00 0.00 H new ATOM 0 HE22 GLN A 92 15.801 -0.400 5.460 1.00 0.00 H new ATOM 1382 N ALA A 93 10.974 0.401 1.615 1.00 0.00 N ATOM 1383 CA ALA A 93 9.859 0.584 0.724 1.00 0.00 C ATOM 1384 C ALA A 93 9.625 2.034 0.448 1.00 0.00 C ATOM 1385 O ALA A 93 9.378 2.416 -0.700 1.00 0.00 O ATOM 1386 CB ALA A 93 8.620 -0.013 1.313 1.00 0.00 C ATOM 0 H ALA A 93 10.712 0.100 2.554 1.00 0.00 H new ATOM 0 HA ALA A 93 10.097 0.081 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.785 0.133 0.628 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.773 -1.080 1.477 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.399 0.472 2.264 1.00 0.00 H new ATOM 1392 N ARG A 94 9.723 2.850 1.507 1.00 0.00 N ATOM 1393 CA ARG A 94 9.496 4.300 1.429 1.00 0.00 C ATOM 1394 C ARG A 94 10.310 4.922 0.316 1.00 0.00 C ATOM 1395 O ARG A 94 9.797 5.641 -0.538 1.00 0.00 O ATOM 1396 CB ARG A 94 9.820 4.953 2.775 1.00 0.00 C ATOM 1397 CG ARG A 94 8.698 4.921 3.779 1.00 0.00 C ATOM 1398 CD ARG A 94 7.609 5.900 3.408 1.00 0.00 C ATOM 1399 NE ARG A 94 8.093 7.288 3.492 1.00 0.00 N ATOM 1400 CZ ARG A 94 7.335 8.397 3.476 1.00 0.00 C ATOM 1401 NH1 ARG A 94 6.004 8.304 3.457 1.00 0.00 N ATOM 1402 NH2 ARG A 94 7.929 9.591 3.520 1.00 0.00 N ATOM 0 H ARG A 94 9.962 2.523 2.443 1.00 0.00 H new ATOM 0 HA ARG A 94 8.444 4.473 1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 94 10.688 4.454 3.205 1.00 0.00 H new ATOM 0 HB3 ARG A 94 10.103 5.991 2.601 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.283 3.914 3.834 1.00 0.00 H new ATOM 0 HG3 ARG A 94 9.085 5.161 4.769 1.00 0.00 H new ATOM 0 HD2 ARG A 94 7.260 5.694 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 94 6.755 5.768 4.073 1.00 0.00 H new ATOM 0 HE ARG A 94 9.101 7.420 3.570 1.00 0.00 H new ATOM 0 HH11 ARG A 94 5.557 7.387 3.455 1.00 0.00 H new ATOM 0 HH12 ARG A 94 5.434 9.150 3.445 1.00 0.00 H new ATOM 0 HH21 ARG A 94 8.946 9.653 3.565 1.00 0.00 H new ATOM 0 HH22 ARG A 94 7.366 10.441 3.508 1.00 0.00 H new ATOM 1416 N LYS A 95 11.513 4.507 0.233 1.00 0.00 N ATOM 1417 CA LYS A 95 12.424 5.004 -0.741 1.00 0.00 C ATOM 1418 C LYS A 95 12.385 4.131 -1.955 1.00 0.00 C ATOM 1419 O LYS A 95 13.382 3.610 -2.413 1.00 0.00 O ATOM 1420 CB LYS A 95 13.845 5.200 -0.193 1.00 0.00 C ATOM 1421 CG LYS A 95 14.364 4.065 0.656 1.00 0.00 C ATOM 1422 CD LYS A 95 15.810 4.295 1.033 1.00 0.00 C ATOM 1423 CE LYS A 95 16.214 3.428 2.201 1.00 0.00 C ATOM 1424 NZ LYS A 95 15.500 3.841 3.421 1.00 0.00 N ATOM 0 H LYS A 95 11.909 3.797 0.849 1.00 0.00 H new ATOM 0 HA LYS A 95 12.102 6.005 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 95 14.525 5.346 -1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 95 13.867 6.115 0.398 1.00 0.00 H new ATOM 0 HG2 LYS A 95 13.759 3.973 1.558 1.00 0.00 H new ATOM 0 HG3 LYS A 95 14.270 3.125 0.112 1.00 0.00 H new ATOM 0 HD2 LYS A 95 16.450 4.079 0.178 1.00 0.00 H new ATOM 0 HD3 LYS A 95 15.960 5.344 1.287 1.00 0.00 H new ATOM 0 HE2 LYS A 95 15.994 2.384 1.980 1.00 0.00 H new ATOM 0 HE3 LYS A 95 17.290 3.500 2.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 15.951 3.407 4.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 15.535 4.877 3.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 14.509 3.532 3.365 1.00 0.00 H new ATOM 1438 N ARG A 96 11.191 3.918 -2.407 1.00 0.00 N ATOM 1439 CA ARG A 96 10.927 3.247 -3.644 1.00 0.00 C ATOM 1440 C ARG A 96 9.571 3.626 -4.128 1.00 0.00 C ATOM 1441 O ARG A 96 9.420 4.070 -5.249 1.00 0.00 O ATOM 1442 CB ARG A 96 11.085 1.707 -3.548 1.00 0.00 C ATOM 1443 CG ARG A 96 10.637 0.928 -4.811 1.00 0.00 C ATOM 1444 CD ARG A 96 11.303 1.438 -6.098 1.00 0.00 C ATOM 1445 NE ARG A 96 12.755 1.372 -6.037 1.00 0.00 N ATOM 1446 CZ ARG A 96 13.598 2.003 -6.866 1.00 0.00 C ATOM 1447 NH1 ARG A 96 13.141 2.710 -7.906 1.00 0.00 N ATOM 1448 NH2 ARG A 96 14.901 1.896 -6.672 1.00 0.00 N ATOM 0 H ARG A 96 10.348 4.213 -1.914 1.00 0.00 H new ATOM 0 HA ARG A 96 11.677 3.571 -4.366 1.00 0.00 H new ATOM 0 HB2 ARG A 96 12.131 1.475 -3.347 1.00 0.00 H new ATOM 0 HB3 ARG A 96 10.509 1.349 -2.694 1.00 0.00 H new ATOM 0 HG2 ARG A 96 10.871 -0.129 -4.681 1.00 0.00 H new ATOM 0 HG3 ARG A 96 9.555 1.005 -4.914 1.00 0.00 H new ATOM 0 HD2 ARG A 96 10.951 0.848 -6.944 1.00 0.00 H new ATOM 0 HD3 ARG A 96 10.996 2.468 -6.278 1.00 0.00 H new ATOM 0 HE ARG A 96 13.166 0.797 -5.301 1.00 0.00 H new ATOM 0 HH11 ARG A 96 12.138 2.775 -8.077 1.00 0.00 H new ATOM 0 HH12 ARG A 96 13.796 3.184 -8.527 1.00 0.00 H new ATOM 0 HH21 ARG A 96 15.257 1.337 -5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 96 15.551 2.373 -7.298 1.00 0.00 H new ATOM 1462 N LEU A 97 8.591 3.515 -3.272 1.00 0.00 N ATOM 1463 CA LEU A 97 7.244 3.759 -3.736 1.00 0.00 C ATOM 1464 C LEU A 97 6.791 5.188 -3.512 1.00 0.00 C ATOM 1465 O LEU A 97 5.839 5.626 -4.109 1.00 0.00 O ATOM 1466 CB LEU A 97 6.272 2.766 -3.139 1.00 0.00 C ATOM 1467 CG LEU A 97 5.573 3.106 -1.834 1.00 0.00 C ATOM 1468 CD1 LEU A 97 4.715 1.960 -1.487 1.00 0.00 C ATOM 1469 CD2 LEU A 97 6.538 3.373 -0.697 1.00 0.00 C ATOM 0 H LEU A 97 8.687 3.268 -2.287 1.00 0.00 H new ATOM 0 HA LEU A 97 7.256 3.612 -4.816 1.00 0.00 H new ATOM 0 HB2 LEU A 97 5.500 2.574 -3.884 1.00 0.00 H new ATOM 0 HB3 LEU A 97 6.810 1.830 -2.989 1.00 0.00 H new ATOM 0 HG LEU A 97 5.001 4.023 -1.975 1.00 0.00 H new ATOM 0 HD11 LEU A 97 4.194 2.166 -0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 97 3.986 1.798 -2.281 1.00 0.00 H new ATOM 0 HD13 LEU A 97 5.330 1.067 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 97 5.978 3.610 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 97 7.150 2.488 -0.523 1.00 0.00 H new ATOM 0 HD23 LEU A 97 7.182 4.214 -0.956 1.00 0.00 H new ATOM 1481 N THR A 98 7.435 5.882 -2.608 1.00 0.00 N ATOM 1482 CA THR A 98 7.098 7.277 -2.405 1.00 0.00 C ATOM 1483 C THR A 98 8.335 8.171 -2.594 1.00 0.00 C ATOM 1484 O THR A 98 8.312 9.359 -2.245 1.00 0.00 O ATOM 1485 CB THR A 98 6.381 7.513 -1.027 1.00 0.00 C ATOM 1486 OG1 THR A 98 5.967 8.874 -0.888 1.00 0.00 O ATOM 1487 CG2 THR A 98 7.265 7.155 0.130 1.00 0.00 C ATOM 0 H THR A 98 8.179 5.520 -2.011 1.00 0.00 H new ATOM 0 HA THR A 98 6.376 7.564 -3.169 1.00 0.00 H new ATOM 0 HB THR A 98 5.507 6.862 -1.018 1.00 0.00 H new ATOM 0 HG1 THR A 98 6.624 9.461 -1.317 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.732 7.333 1.064 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.542 6.103 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.165 7.769 0.104 1.00 0.00 H new ATOM 1495 N LYS A 99 9.414 7.596 -3.173 1.00 0.00 N ATOM 1496 CA LYS A 99 10.611 8.385 -3.499 1.00 0.00 C ATOM 1497 C LYS A 99 10.335 9.325 -4.690 1.00 0.00 C ATOM 1498 O LYS A 99 9.301 9.223 -5.340 1.00 0.00 O ATOM 1499 CB LYS A 99 11.843 7.508 -3.799 1.00 0.00 C ATOM 1500 CG LYS A 99 11.769 6.688 -5.087 1.00 0.00 C ATOM 1501 CD LYS A 99 13.171 6.318 -5.598 1.00 0.00 C ATOM 1502 CE LYS A 99 13.967 5.510 -4.599 1.00 0.00 C ATOM 1503 NZ LYS A 99 15.365 5.293 -5.017 1.00 0.00 N ATOM 0 H LYS A 99 9.476 6.608 -3.418 1.00 0.00 H new ATOM 0 HA LYS A 99 10.842 8.975 -2.612 1.00 0.00 H new ATOM 0 HB2 LYS A 99 12.722 8.151 -3.848 1.00 0.00 H new ATOM 0 HB3 LYS A 99 11.994 6.826 -2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 99 11.194 5.780 -4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 99 11.240 7.256 -5.852 1.00 0.00 H new ATOM 0 HD2 LYS A 99 13.077 5.751 -6.524 1.00 0.00 H new ATOM 0 HD3 LYS A 99 13.717 7.230 -5.838 1.00 0.00 H new ATOM 0 HE2 LYS A 99 13.957 6.021 -3.636 1.00 0.00 H new ATOM 0 HE3 LYS A 99 13.483 4.544 -4.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 15.861 4.734 -4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 15.381 4.781 -5.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 15.840 6.211 -5.130 1.00 0.00 H new ATOM 1517 N ARG A 100 11.287 10.186 -5.008 1.00 0.00 N ATOM 1518 CA ARG A 100 11.075 11.203 -6.040 1.00 0.00 C ATOM 1519 C ARG A 100 11.841 10.920 -7.321 1.00 0.00 C ATOM 1520 O ARG A 100 11.765 11.686 -8.285 1.00 0.00 O ATOM 1521 CB ARG A 100 11.410 12.594 -5.511 1.00 0.00 C ATOM 1522 CG ARG A 100 12.760 12.694 -4.847 1.00 0.00 C ATOM 1523 CD ARG A 100 13.082 14.121 -4.483 1.00 0.00 C ATOM 1524 NE ARG A 100 14.300 14.236 -3.681 1.00 0.00 N ATOM 1525 CZ ARG A 100 14.467 15.132 -2.692 1.00 0.00 C ATOM 1526 NH1 ARG A 100 13.481 15.994 -2.399 1.00 0.00 N ATOM 1527 NH2 ARG A 100 15.604 15.164 -2.002 1.00 0.00 N ATOM 0 H ARG A 100 12.210 10.207 -4.574 1.00 0.00 H new ATOM 0 HA ARG A 100 10.016 11.165 -6.294 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.370 13.304 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 100 10.643 12.893 -4.797 1.00 0.00 H new ATOM 0 HG2 ARG A 100 12.774 12.075 -3.950 1.00 0.00 H new ATOM 0 HG3 ARG A 100 13.527 12.304 -5.516 1.00 0.00 H new ATOM 0 HD2 ARG A 100 13.195 14.708 -5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 100 12.246 14.549 -3.930 1.00 0.00 H new ATOM 0 HE ARG A 100 15.069 13.598 -3.884 1.00 0.00 H new ATOM 0 HH11 ARG A 100 12.608 15.968 -2.926 1.00 0.00 H new ATOM 0 HH12 ARG A 100 13.605 16.675 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 100 16.353 14.508 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 100 15.727 15.845 -1.253 1.00 0.00 H new ATOM 1541 N SER A 101 12.576 9.842 -7.331 1.00 0.00 N ATOM 1542 CA SER A 101 13.330 9.433 -8.504 1.00 0.00 C ATOM 1543 C SER A 101 12.388 8.780 -9.511 1.00 0.00 C ATOM 1544 O SER A 101 12.645 8.754 -10.711 1.00 0.00 O ATOM 1545 CB SER A 101 14.404 8.453 -8.065 1.00 0.00 C ATOM 1546 OG SER A 101 15.287 8.088 -9.118 1.00 0.00 O ATOM 0 H SER A 101 12.675 9.217 -6.531 1.00 0.00 H new ATOM 0 HA SER A 101 13.797 10.295 -8.979 1.00 0.00 H new ATOM 0 HB2 SER A 101 14.980 8.894 -7.252 1.00 0.00 H new ATOM 0 HB3 SER A 101 13.929 7.555 -7.669 1.00 0.00 H new ATOM 0 HG SER A 101 15.957 7.458 -8.779 1.00 0.00 H new ATOM 1552 N GLU A 102 11.298 8.296 -9.003 1.00 0.00 N ATOM 1553 CA GLU A 102 10.296 7.614 -9.793 1.00 0.00 C ATOM 1554 C GLU A 102 9.334 8.609 -10.391 1.00 0.00 C ATOM 1555 O GLU A 102 9.267 9.767 -9.965 1.00 0.00 O ATOM 1556 CB GLU A 102 9.533 6.629 -8.910 1.00 0.00 C ATOM 1557 CG GLU A 102 10.415 5.595 -8.229 1.00 0.00 C ATOM 1558 CD GLU A 102 11.081 4.639 -9.187 1.00 0.00 C ATOM 1559 OE1 GLU A 102 11.955 5.056 -9.975 1.00 0.00 O ATOM 1560 OE2 GLU A 102 10.798 3.442 -9.123 1.00 0.00 O ATOM 0 H GLU A 102 11.067 8.360 -8.012 1.00 0.00 H new ATOM 0 HA GLU A 102 10.790 7.074 -10.601 1.00 0.00 H new ATOM 0 HB2 GLU A 102 8.990 7.187 -8.147 1.00 0.00 H new ATOM 0 HB3 GLU A 102 8.790 6.113 -9.518 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.183 6.110 -7.651 1.00 0.00 H new ATOM 0 HG3 GLU A 102 9.812 5.025 -7.522 1.00 0.00 H new ATOM 1567 N GLU A 103 8.661 8.188 -11.409 1.00 0.00 N ATOM 1568 CA GLU A 103 7.629 8.964 -12.010 1.00 0.00 C ATOM 1569 C GLU A 103 6.301 8.216 -11.964 1.00 0.00 C ATOM 1570 O GLU A 103 5.471 8.487 -11.132 1.00 0.00 O ATOM 1571 CB GLU A 103 7.993 9.474 -13.435 1.00 0.00 C ATOM 1572 CG GLU A 103 8.661 8.466 -14.385 1.00 0.00 C ATOM 1573 CD GLU A 103 10.133 8.274 -14.161 1.00 0.00 C ATOM 1574 OE1 GLU A 103 10.518 7.436 -13.364 1.00 0.00 O ATOM 1575 OE2 GLU A 103 10.942 8.964 -14.814 1.00 0.00 O ATOM 0 H GLU A 103 8.815 7.283 -11.853 1.00 0.00 H new ATOM 0 HA GLU A 103 7.517 9.871 -11.416 1.00 0.00 H new ATOM 0 HB2 GLU A 103 7.080 9.834 -13.910 1.00 0.00 H new ATOM 0 HB3 GLU A 103 8.657 10.332 -13.329 1.00 0.00 H new ATOM 0 HG2 GLU A 103 8.162 7.502 -14.279 1.00 0.00 H new ATOM 0 HG3 GLU A 103 8.503 8.796 -15.412 1.00 0.00 H new ATOM 1582 N VAL A 104 6.132 7.278 -12.834 1.00 0.00 N ATOM 1583 CA VAL A 104 4.993 6.451 -12.875 1.00 0.00 C ATOM 1584 C VAL A 104 5.384 5.041 -12.465 1.00 0.00 C ATOM 1585 O VAL A 104 6.419 4.508 -12.899 1.00 0.00 O ATOM 1586 CB VAL A 104 4.281 6.520 -14.262 1.00 0.00 C ATOM 1587 CG1 VAL A 104 5.258 6.563 -15.394 1.00 0.00 C ATOM 1588 CG2 VAL A 104 3.324 5.365 -14.455 1.00 0.00 C ATOM 0 H VAL A 104 6.815 7.065 -13.561 1.00 0.00 H new ATOM 0 HA VAL A 104 4.253 6.810 -12.160 1.00 0.00 H new ATOM 0 HB VAL A 104 3.712 7.450 -14.267 1.00 0.00 H new ATOM 0 HG11 VAL A 104 4.718 6.610 -16.339 1.00 0.00 H new ATOM 0 HG12 VAL A 104 5.892 7.444 -15.294 1.00 0.00 H new ATOM 0 HG13 VAL A 104 5.877 5.666 -15.375 1.00 0.00 H new ATOM 0 HG21 VAL A 104 2.847 5.447 -15.432 1.00 0.00 H new ATOM 0 HG22 VAL A 104 3.872 4.425 -14.397 1.00 0.00 H new ATOM 0 HG23 VAL A 104 2.562 5.390 -13.676 1.00 0.00 H new ATOM 1598 N VAL A 105 4.605 4.466 -11.599 1.00 0.00 N ATOM 1599 CA VAL A 105 4.909 3.181 -11.026 1.00 0.00 C ATOM 1600 C VAL A 105 3.763 2.179 -11.178 1.00 0.00 C ATOM 1601 O VAL A 105 2.591 2.520 -11.008 1.00 0.00 O ATOM 1602 CB VAL A 105 5.298 3.312 -9.528 1.00 0.00 C ATOM 1603 CG1 VAL A 105 6.662 3.971 -9.372 1.00 0.00 C ATOM 1604 CG2 VAL A 105 4.246 4.122 -8.777 1.00 0.00 C ATOM 0 H VAL A 105 3.733 4.875 -11.265 1.00 0.00 H new ATOM 0 HA VAL A 105 5.760 2.795 -11.586 1.00 0.00 H new ATOM 0 HB VAL A 105 5.349 2.308 -9.106 1.00 0.00 H new ATOM 0 HG11 VAL A 105 6.909 4.050 -8.313 1.00 0.00 H new ATOM 0 HG12 VAL A 105 7.417 3.368 -9.877 1.00 0.00 H new ATOM 0 HG13 VAL A 105 6.638 4.967 -9.814 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.532 4.206 -7.728 1.00 0.00 H new ATOM 0 HG22 VAL A 105 4.173 5.118 -9.214 1.00 0.00 H new ATOM 0 HG23 VAL A 105 3.280 3.622 -8.851 1.00 0.00 H new ATOM 1614 N ARG A 106 4.126 0.964 -11.540 1.00 0.00 N ATOM 1615 CA ARG A 106 3.187 -0.160 -11.651 1.00 0.00 C ATOM 1616 C ARG A 106 3.113 -0.865 -10.304 1.00 0.00 C ATOM 1617 O ARG A 106 4.076 -1.515 -9.911 1.00 0.00 O ATOM 1618 CB ARG A 106 3.718 -1.159 -12.681 1.00 0.00 C ATOM 1619 CG ARG A 106 3.814 -0.619 -14.104 1.00 0.00 C ATOM 1620 CD ARG A 106 4.421 -1.647 -15.055 1.00 0.00 C ATOM 1621 NE ARG A 106 5.801 -2.007 -14.677 1.00 0.00 N ATOM 1622 CZ ARG A 106 6.506 -3.038 -15.172 1.00 0.00 C ATOM 1623 NH1 ARG A 106 5.975 -3.849 -16.087 1.00 0.00 N ATOM 1624 NH2 ARG A 106 7.744 -3.241 -14.745 1.00 0.00 N ATOM 0 H ARG A 106 5.088 0.716 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 106 2.206 0.207 -11.952 1.00 0.00 H new ATOM 0 HB2 ARG A 106 4.707 -1.493 -12.366 1.00 0.00 H new ATOM 0 HB3 ARG A 106 3.071 -2.036 -12.683 1.00 0.00 H new ATOM 0 HG2 ARG A 106 2.821 -0.339 -14.455 1.00 0.00 H new ATOM 0 HG3 ARG A 106 4.421 0.286 -14.110 1.00 0.00 H new ATOM 0 HD2 ARG A 106 3.802 -2.544 -15.061 1.00 0.00 H new ATOM 0 HD3 ARG A 106 4.416 -1.249 -16.070 1.00 0.00 H new ATOM 0 HE ARG A 106 6.260 -1.422 -13.979 1.00 0.00 H new ATOM 0 HH11 ARG A 106 5.024 -3.690 -16.419 1.00 0.00 H new ATOM 0 HH12 ARG A 106 6.520 -4.628 -16.455 1.00 0.00 H new ATOM 0 HH21 ARG A 106 8.152 -2.618 -14.048 1.00 0.00 H new ATOM 0 HH22 ARG A 106 8.289 -4.020 -15.113 1.00 0.00 H new ATOM 1638 N LEU A 107 2.036 -0.741 -9.573 1.00 0.00 N ATOM 1639 CA LEU A 107 2.012 -1.329 -8.268 1.00 0.00 C ATOM 1640 C LEU A 107 0.965 -2.388 -8.248 1.00 0.00 C ATOM 1641 O LEU A 107 -0.014 -2.298 -8.961 1.00 0.00 O ATOM 1642 CB LEU A 107 1.668 -0.282 -7.227 1.00 0.00 C ATOM 1643 CG LEU A 107 2.224 1.102 -7.476 1.00 0.00 C ATOM 1644 CD1 LEU A 107 1.560 2.073 -6.576 1.00 0.00 C ATOM 1645 CD2 LEU A 107 3.692 1.136 -7.248 1.00 0.00 C ATOM 0 H LEU A 107 1.186 -0.251 -9.853 1.00 0.00 H new ATOM 0 HA LEU A 107 2.992 -1.748 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 107 0.583 -0.210 -7.157 1.00 0.00 H new ATOM 0 HB3 LEU A 107 2.028 -0.628 -6.258 1.00 0.00 H new ATOM 0 HG LEU A 107 2.031 1.368 -8.515 1.00 0.00 H new ATOM 0 HD11 LEU A 107 1.962 3.070 -6.757 1.00 0.00 H new ATOM 0 HD12 LEU A 107 0.487 2.074 -6.769 1.00 0.00 H new ATOM 0 HD13 LEU A 107 1.742 1.791 -5.539 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.066 2.143 -7.434 1.00 0.00 H new ATOM 0 HD22 LEU A 107 3.907 0.854 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 107 4.182 0.436 -7.925 1.00 0.00 H new ATOM 1657 N LEU A 108 1.168 -3.379 -7.478 1.00 0.00 N ATOM 1658 CA LEU A 108 0.214 -4.413 -7.334 1.00 0.00 C ATOM 1659 C LEU A 108 -0.172 -4.538 -5.929 1.00 0.00 C ATOM 1660 O LEU A 108 0.687 -4.616 -5.049 1.00 0.00 O ATOM 1661 CB LEU A 108 0.711 -5.743 -7.844 1.00 0.00 C ATOM 1662 CG LEU A 108 0.393 -6.068 -9.289 1.00 0.00 C ATOM 1663 CD1 LEU A 108 1.186 -5.184 -10.243 1.00 0.00 C ATOM 1664 CD2 LEU A 108 0.628 -7.532 -9.584 1.00 0.00 C ATOM 0 H LEU A 108 2.012 -3.503 -6.919 1.00 0.00 H new ATOM 0 HA LEU A 108 -0.649 -4.138 -7.941 1.00 0.00 H new ATOM 0 HB2 LEU A 108 1.793 -5.776 -7.716 1.00 0.00 H new ATOM 0 HB3 LEU A 108 0.291 -6.529 -7.216 1.00 0.00 H new ATOM 0 HG LEU A 108 -0.665 -5.861 -9.447 1.00 0.00 H new ATOM 0 HD11 LEU A 108 0.935 -5.442 -11.272 1.00 0.00 H new ATOM 0 HD12 LEU A 108 0.938 -4.138 -10.061 1.00 0.00 H new ATOM 0 HD13 LEU A 108 2.253 -5.338 -10.080 1.00 0.00 H new ATOM 0 HD21 LEU A 108 0.391 -7.735 -10.628 1.00 0.00 H new ATOM 0 HD22 LEU A 108 1.673 -7.778 -9.394 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.010 -8.139 -8.942 1.00 0.00 H new ATOM 1676 N VAL A 109 -1.435 -4.538 -5.701 1.00 0.00 N ATOM 1677 CA VAL A 109 -1.933 -4.685 -4.358 1.00 0.00 C ATOM 1678 C VAL A 109 -2.824 -5.884 -4.258 1.00 0.00 C ATOM 1679 O VAL A 109 -3.486 -6.261 -5.234 1.00 0.00 O ATOM 1680 CB VAL A 109 -2.684 -3.441 -3.795 1.00 0.00 C ATOM 1681 CG1 VAL A 109 -1.834 -2.204 -3.808 1.00 0.00 C ATOM 1682 CG2 VAL A 109 -4.026 -3.199 -4.452 1.00 0.00 C ATOM 0 H VAL A 109 -2.153 -4.439 -6.419 1.00 0.00 H new ATOM 0 HA VAL A 109 -1.041 -4.806 -3.743 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.894 -3.682 -2.753 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -2.404 -1.367 -3.406 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.947 -2.366 -3.196 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -1.533 -1.980 -4.831 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -4.493 -2.318 -4.012 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -3.884 -3.039 -5.521 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.668 -4.066 -4.297 1.00 0.00 H new ATOM 1692 N THR A 110 -2.824 -6.487 -3.118 1.00 0.00 N ATOM 1693 CA THR A 110 -3.664 -7.598 -2.850 1.00 0.00 C ATOM 1694 C THR A 110 -4.675 -7.183 -1.833 1.00 0.00 C ATOM 1695 O THR A 110 -4.317 -6.673 -0.755 1.00 0.00 O ATOM 1696 CB THR A 110 -2.874 -8.809 -2.347 1.00 0.00 C ATOM 1697 OG1 THR A 110 -2.082 -8.441 -1.210 1.00 0.00 O ATOM 1698 CG2 THR A 110 -1.981 -9.345 -3.424 1.00 0.00 C ATOM 0 H THR A 110 -2.230 -6.215 -2.335 1.00 0.00 H new ATOM 0 HA THR A 110 -4.151 -7.903 -3.776 1.00 0.00 H new ATOM 0 HB THR A 110 -3.585 -9.584 -2.061 1.00 0.00 H new ATOM 0 HG1 THR A 110 -2.510 -7.694 -0.741 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.429 -10.205 -3.045 1.00 0.00 H new ATOM 0 HG22 THR A 110 -2.585 -9.650 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 110 -1.279 -8.571 -3.733 1.00 0.00 H new