USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 685 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 18 SER OG : rot -87:sc= 1 USER MOD Set 1.2: A 42 HIS : no HD1:sc= -0.229 X(o=0.77,f=0.83) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 SER OG : rot -62:sc= 0.83 USER MOD Single : A 24 SER OG : rot 170:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -1.72 K(o=-1.7,f=-3.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.44) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.195 K(o=-0.19,f=-1.3!) USER MOD Single : A 63 HIS :FLIP no HD1:sc= -0.164 F(o=-0.82,f=-0.16) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 91:sc= 0.501 USER MOD Single : A 67 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.105) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ -162:sc= -2.64 (180deg=-4.2!) USER MOD Single : A 91 THR OG1 : rot -73:sc= -0.121 USER MOD Single : A 93 GLN : amide:sc= -2.92 K(o=-2.9,f=-9.3!) USER MOD Single : A 94 HIS :FLIP no HD1:sc= -4.52! F(o=-5.5,f=-4.5!) USER MOD Single : A 95 SER OG : rot -26:sc= 0.944 USER MOD Single : A 96 SER OG : rot 20:sc= -0.731 USER MOD Single : A 101 LYS NZ :NH3+ -156:sc= -2.49! (180deg=-3.48!) USER MOD Single : A 104 HIS : no HD1:sc= -0.051 X(o=-0.051,f=-0.53) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -11.491 7.240 -8.554 1.00 0.00 N ATOM 183 CA SER A 11 -11.471 6.578 -7.251 1.00 0.00 C ATOM 184 C SER A 11 -12.751 6.883 -6.475 1.00 0.00 C ATOM 185 O SER A 11 -12.746 6.957 -5.246 1.00 0.00 O ATOM 186 CB SER A 11 -10.269 7.049 -6.430 1.00 0.00 C ATOM 187 OG SER A 11 -9.107 6.351 -6.857 1.00 0.00 O ATOM 0 HA SER A 11 -11.397 5.504 -7.422 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.128 8.123 -6.553 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.446 6.870 -5.369 1.00 0.00 H new ATOM 0 HG SER A 11 -8.334 6.651 -6.334 1.00 0.00 H new ATOM 193 N ASP A 12 -13.847 7.061 -7.209 1.00 0.00 N ATOM 194 CA ASP A 12 -15.135 7.362 -6.582 1.00 0.00 C ATOM 195 C ASP A 12 -15.553 6.231 -5.648 1.00 0.00 C ATOM 196 O ASP A 12 -16.018 6.468 -4.532 1.00 0.00 O ATOM 197 CB ASP A 12 -16.218 7.558 -7.646 1.00 0.00 C ATOM 198 CG ASP A 12 -16.230 6.364 -8.593 1.00 0.00 C ATOM 199 OD1 ASP A 12 -15.520 6.410 -9.583 1.00 0.00 O ATOM 200 OD2 ASP A 12 -16.951 5.419 -8.313 1.00 0.00 O ATOM 0 H ASP A 12 -13.872 7.003 -8.227 1.00 0.00 H new ATOM 0 HA ASP A 12 -15.021 8.282 -6.008 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.193 7.667 -7.171 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.031 8.475 -8.204 1.00 0.00 H new ATOM 205 N ALA A 13 -15.379 4.999 -6.115 1.00 0.00 N ATOM 206 CA ALA A 13 -15.738 3.832 -5.312 1.00 0.00 C ATOM 207 C ALA A 13 -14.509 3.223 -4.624 1.00 0.00 C ATOM 208 O ALA A 13 -14.635 2.298 -3.821 1.00 0.00 O ATOM 209 CB ALA A 13 -16.393 2.764 -6.190 1.00 0.00 C ATOM 0 H ALA A 13 -14.996 4.782 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 13 -16.439 4.168 -4.547 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -16.655 1.901 -5.578 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -17.294 3.172 -6.647 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -15.697 2.458 -6.971 1.00 0.00 H new ATOM 215 N CYS A 14 -13.317 3.740 -4.941 1.00 0.00 N ATOM 216 CA CYS A 14 -12.093 3.224 -4.339 1.00 0.00 C ATOM 217 C CYS A 14 -11.953 3.689 -2.891 1.00 0.00 C ATOM 218 O CYS A 14 -11.276 3.050 -2.088 1.00 0.00 O ATOM 219 CB CYS A 14 -10.871 3.693 -5.131 1.00 0.00 C ATOM 220 SG CYS A 14 -10.848 2.866 -6.740 1.00 0.00 S ATOM 0 H CYS A 14 -13.179 4.504 -5.602 1.00 0.00 H new ATOM 0 HA CYS A 14 -12.151 2.136 -4.359 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.903 4.774 -5.265 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.958 3.467 -4.580 1.00 0.00 H new ATOM 225 N LYS A 15 -12.605 4.806 -2.558 1.00 0.00 N ATOM 226 CA LYS A 15 -12.536 5.338 -1.196 1.00 0.00 C ATOM 227 C LYS A 15 -13.324 4.467 -0.207 1.00 0.00 C ATOM 228 O LYS A 15 -13.276 4.696 1.001 1.00 0.00 O ATOM 229 CB LYS A 15 -13.096 6.762 -1.153 1.00 0.00 C ATOM 230 CG LYS A 15 -12.342 7.580 -0.102 1.00 0.00 C ATOM 231 CD LYS A 15 -12.808 9.036 -0.156 1.00 0.00 C ATOM 232 CE LYS A 15 -11.633 9.963 0.161 1.00 0.00 C ATOM 233 NZ LYS A 15 -10.925 10.389 -1.080 1.00 0.00 N ATOM 0 H LYS A 15 -13.178 5.352 -3.202 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.486 5.338 -0.903 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.999 7.231 -2.132 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.159 6.738 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -12.519 7.167 0.891 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -11.269 7.524 -0.284 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -13.208 9.264 -1.144 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.615 9.197 0.559 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -11.995 10.842 0.695 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -10.934 9.453 0.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.134 11.016 -0.830 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -10.559 9.551 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.587 10.897 -1.701 1.00 0.00 H new ATOM 247 N ALA A 16 -14.046 3.467 -0.721 1.00 0.00 N ATOM 248 CA ALA A 16 -14.825 2.581 0.141 1.00 0.00 C ATOM 249 C ALA A 16 -13.923 1.753 1.067 1.00 0.00 C ATOM 250 O ALA A 16 -14.408 1.122 2.006 1.00 0.00 O ATOM 251 CB ALA A 16 -15.667 1.628 -0.709 1.00 0.00 C ATOM 0 H ALA A 16 -14.106 3.254 -1.717 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.470 3.210 0.755 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.244 0.972 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.347 2.204 -1.337 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -15.012 1.028 -1.340 1.00 0.00 H new ATOM 257 N GLU A 17 -12.613 1.750 0.802 1.00 0.00 N ATOM 258 CA GLU A 17 -11.687 0.981 1.636 1.00 0.00 C ATOM 259 C GLU A 17 -10.302 1.625 1.670 1.00 0.00 C ATOM 260 O GLU A 17 -9.675 1.704 2.727 1.00 0.00 O ATOM 261 CB GLU A 17 -11.551 -0.448 1.108 1.00 0.00 C ATOM 262 CG GLU A 17 -10.777 -1.296 2.122 1.00 0.00 C ATOM 263 CD GLU A 17 -11.180 -2.758 1.975 1.00 0.00 C ATOM 264 OE1 GLU A 17 -12.214 -3.124 2.510 1.00 0.00 O ATOM 265 OE2 GLU A 17 -10.450 -3.493 1.328 1.00 0.00 O ATOM 0 H GLU A 17 -12.178 2.260 0.033 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.098 0.967 2.646 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.537 -0.879 0.935 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.032 -0.445 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.705 -1.185 1.961 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -10.985 -0.951 3.135 1.00 0.00 H new ATOM 272 N SER A 18 -9.824 2.073 0.509 1.00 0.00 N ATOM 273 CA SER A 18 -8.504 2.698 0.433 1.00 0.00 C ATOM 274 C SER A 18 -8.515 4.061 1.121 1.00 0.00 C ATOM 275 O SER A 18 -8.411 5.108 0.479 1.00 0.00 O ATOM 276 CB SER A 18 -8.062 2.876 -1.023 1.00 0.00 C ATOM 277 OG SER A 18 -8.960 3.755 -1.684 1.00 0.00 O ATOM 0 H SER A 18 -10.322 2.016 -0.379 1.00 0.00 H new ATOM 0 HA SER A 18 -7.800 2.039 0.941 1.00 0.00 H new ATOM 0 HB2 SER A 18 -7.049 3.277 -1.061 1.00 0.00 H new ATOM 0 HB3 SER A 18 -8.042 1.911 -1.529 1.00 0.00 H new ATOM 0 HG SER A 18 -9.710 3.242 -2.050 1.00 0.00 H new ATOM 283 N GLY A 19 -8.632 4.031 2.442 1.00 0.00 N ATOM 284 CA GLY A 19 -8.644 5.258 3.229 1.00 0.00 C ATOM 285 C GLY A 19 -7.258 5.543 3.803 1.00 0.00 C ATOM 286 O GLY A 19 -7.124 6.134 4.875 1.00 0.00 O ATOM 0 H GLY A 19 -8.720 3.175 2.990 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.964 6.093 2.606 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.368 5.170 4.039 1.00 0.00 H new ATOM 290 N VAL A 20 -6.228 5.113 3.074 1.00 0.00 N ATOM 291 CA VAL A 20 -4.850 5.319 3.508 1.00 0.00 C ATOM 292 C VAL A 20 -4.555 6.815 3.674 1.00 0.00 C ATOM 293 O VAL A 20 -3.713 7.206 4.482 1.00 0.00 O ATOM 294 CB VAL A 20 -3.885 4.696 2.485 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.066 5.366 1.114 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.438 4.869 2.961 1.00 0.00 C ATOM 0 H VAL A 20 -6.323 4.622 2.185 1.00 0.00 H new ATOM 0 HA VAL A 20 -4.709 4.834 4.474 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.106 3.633 2.392 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.378 4.918 0.397 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.091 5.224 0.772 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.857 6.432 1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -1.760 4.426 2.232 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.214 5.931 3.066 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.310 4.374 3.924 1.00 0.00 H new ATOM 306 N SER A 21 -5.261 7.642 2.900 1.00 0.00 N ATOM 307 CA SER A 21 -5.080 9.095 2.966 1.00 0.00 C ATOM 308 C SER A 21 -3.620 9.481 2.731 1.00 0.00 C ATOM 309 O SER A 21 -3.138 10.488 3.251 1.00 0.00 O ATOM 310 CB SER A 21 -5.536 9.635 4.326 1.00 0.00 C ATOM 311 OG SER A 21 -4.527 9.397 5.299 1.00 0.00 O ATOM 0 H SER A 21 -5.960 7.334 2.224 1.00 0.00 H new ATOM 0 HA SER A 21 -5.691 9.537 2.179 1.00 0.00 H new ATOM 0 HB2 SER A 21 -5.740 10.703 4.254 1.00 0.00 H new ATOM 0 HB3 SER A 21 -6.466 9.152 4.627 1.00 0.00 H new ATOM 0 HG SER A 21 -4.383 8.432 5.392 1.00 0.00 H new ATOM 317 N GLU A 22 -2.923 8.670 1.940 1.00 0.00 N ATOM 318 CA GLU A 22 -1.517 8.933 1.633 1.00 0.00 C ATOM 319 C GLU A 22 -0.679 8.998 2.911 1.00 0.00 C ATOM 320 O GLU A 22 0.348 9.674 2.960 1.00 0.00 O ATOM 321 CB GLU A 22 -1.374 10.258 0.881 1.00 0.00 C ATOM 322 CG GLU A 22 -1.719 10.045 -0.595 1.00 0.00 C ATOM 323 CD GLU A 22 -1.023 11.107 -1.439 1.00 0.00 C ATOM 324 OE1 GLU A 22 -1.394 12.264 -1.325 1.00 0.00 O ATOM 325 OE2 GLU A 22 -0.129 10.747 -2.188 1.00 0.00 O ATOM 0 H GLU A 22 -3.303 7.831 1.502 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.157 8.114 1.010 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.034 11.008 1.316 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -0.356 10.635 0.977 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -1.406 9.050 -0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -2.798 10.101 -0.739 1.00 0.00 H new ATOM 332 N GLU A 23 -1.127 8.285 3.943 1.00 0.00 N ATOM 333 CA GLU A 23 -0.405 8.270 5.212 1.00 0.00 C ATOM 334 C GLU A 23 0.807 7.349 5.119 1.00 0.00 C ATOM 335 O GLU A 23 1.946 7.778 5.303 1.00 0.00 O ATOM 336 CB GLU A 23 -1.315 7.783 6.341 1.00 0.00 C ATOM 337 CG GLU A 23 -0.620 7.997 7.687 1.00 0.00 C ATOM 338 CD GLU A 23 -1.638 7.866 8.813 1.00 0.00 C ATOM 339 OE1 GLU A 23 -2.486 6.993 8.721 1.00 0.00 O ATOM 340 OE2 GLU A 23 -1.556 8.640 9.753 1.00 0.00 O ATOM 0 H GLU A 23 -1.975 7.718 3.926 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.076 9.287 5.426 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.261 8.324 6.318 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.548 6.727 6.204 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.177 7.265 7.817 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -0.156 8.983 7.716 1.00 0.00 H new ATOM 347 N SER A 24 0.547 6.078 4.826 1.00 0.00 N ATOM 348 CA SER A 24 1.625 5.101 4.705 1.00 0.00 C ATOM 349 C SER A 24 2.448 5.376 3.450 1.00 0.00 C ATOM 350 O SER A 24 3.660 5.162 3.425 1.00 0.00 O ATOM 351 CB SER A 24 1.059 3.684 4.629 1.00 0.00 C ATOM 352 OG SER A 24 0.287 3.424 5.794 1.00 0.00 O ATOM 0 H SER A 24 -0.389 5.703 4.670 1.00 0.00 H new ATOM 0 HA SER A 24 2.261 5.188 5.586 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.442 3.574 3.737 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.870 2.960 4.547 1.00 0.00 H new ATOM 0 HG SER A 24 -0.207 2.586 5.679 1.00 0.00 H new ATOM 358 N LEU A 25 1.772 5.854 2.408 1.00 0.00 N ATOM 359 CA LEU A 25 2.445 6.158 1.147 1.00 0.00 C ATOM 360 C LEU A 25 3.509 7.232 1.354 1.00 0.00 C ATOM 361 O LEU A 25 4.564 7.210 0.721 1.00 0.00 O ATOM 362 CB LEU A 25 1.437 6.651 0.108 1.00 0.00 C ATOM 363 CG LEU A 25 0.678 5.554 -0.642 1.00 0.00 C ATOM 364 CD1 LEU A 25 -0.352 6.192 -1.576 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.665 4.724 -1.466 1.00 0.00 C ATOM 0 H LEU A 25 0.769 6.038 2.410 1.00 0.00 H new ATOM 0 HA LEU A 25 2.917 5.243 0.790 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.712 7.295 0.607 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.964 7.268 -0.620 1.00 0.00 H new ATOM 0 HG LEU A 25 0.169 4.910 0.075 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.892 5.410 -2.110 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.055 6.785 -0.991 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.157 6.836 -2.293 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.125 3.942 -2.001 1.00 0.00 H new ATOM 0 HD22 LEU A 25 2.173 5.369 -2.183 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.400 4.269 -0.802 1.00 0.00 H new ATOM 377 N ASN A 26 3.219 8.171 2.250 1.00 0.00 N ATOM 378 CA ASN A 26 4.159 9.251 2.538 1.00 0.00 C ATOM 379 C ASN A 26 5.456 8.686 3.109 1.00 0.00 C ATOM 380 O ASN A 26 6.545 9.185 2.827 1.00 0.00 O ATOM 381 CB ASN A 26 3.557 10.232 3.545 1.00 0.00 C ATOM 382 CG ASN A 26 2.661 11.226 2.815 1.00 0.00 C ATOM 383 OD1 ASN A 26 2.136 10.927 1.741 1.00 0.00 O ATOM 384 ND2 ASN A 26 2.451 12.404 3.337 1.00 0.00 N ATOM 0 H ASN A 26 2.351 8.207 2.784 1.00 0.00 H new ATOM 0 HA ASN A 26 4.368 9.774 1.605 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.981 9.691 4.296 1.00 0.00 H new ATOM 0 HB3 ASN A 26 4.351 10.761 4.072 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.853 13.076 2.856 1.00 0.00 H new ATOM 0 HD22 ASN A 26 2.885 12.653 4.226 1.00 0.00 H new ATOM 391 N LYS A 27 5.324 7.638 3.916 1.00 0.00 N ATOM 392 CA LYS A 27 6.490 7.006 4.527 1.00 0.00 C ATOM 393 C LYS A 27 7.285 6.224 3.483 1.00 0.00 C ATOM 394 O LYS A 27 8.506 6.097 3.580 1.00 0.00 O ATOM 395 CB LYS A 27 6.059 6.053 5.645 1.00 0.00 C ATOM 396 CG LYS A 27 5.911 6.834 6.951 1.00 0.00 C ATOM 397 CD LYS A 27 5.484 5.883 8.072 1.00 0.00 C ATOM 398 CE LYS A 27 3.957 5.849 8.158 1.00 0.00 C ATOM 399 NZ LYS A 27 3.498 5.604 9.555 1.00 0.00 N ATOM 0 H LYS A 27 4.431 7.211 4.161 1.00 0.00 H new ATOM 0 HA LYS A 27 7.118 7.793 4.944 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.115 5.575 5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.796 5.259 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.855 7.315 7.208 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.172 7.626 6.831 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.870 4.882 7.881 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.905 6.211 9.022 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.549 6.794 7.800 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.571 5.067 7.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.458 5.586 9.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.868 4.690 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 3.847 6.364 10.173 1.00 0.00 H new ATOM 413 N VAL A 28 6.579 5.701 2.483 1.00 0.00 N ATOM 414 CA VAL A 28 7.231 4.933 1.422 1.00 0.00 C ATOM 415 C VAL A 28 8.255 5.797 0.682 1.00 0.00 C ATOM 416 O VAL A 28 9.223 5.285 0.119 1.00 0.00 O ATOM 417 CB VAL A 28 6.193 4.407 0.423 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.877 3.508 -0.613 1.00 0.00 C ATOM 419 CG2 VAL A 28 5.133 3.594 1.169 1.00 0.00 C ATOM 0 H VAL A 28 5.568 5.792 2.384 1.00 0.00 H new ATOM 0 HA VAL A 28 7.743 4.090 1.885 1.00 0.00 H new ATOM 0 HB VAL A 28 5.724 5.252 -0.082 1.00 0.00 H new ATOM 0 HG11 VAL A 28 6.135 3.137 -1.320 1.00 0.00 H new ATOM 0 HG12 VAL A 28 7.634 4.081 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL A 28 7.350 2.665 -0.108 1.00 0.00 H new ATOM 0 HG21 VAL A 28 4.395 3.220 0.459 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.608 2.754 1.675 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.639 4.228 1.905 1.00 0.00 H new ATOM 429 N ARG A 29 8.034 7.114 0.685 1.00 0.00 N ATOM 430 CA ARG A 29 8.948 8.036 0.008 1.00 0.00 C ATOM 431 C ARG A 29 10.378 7.857 0.517 1.00 0.00 C ATOM 432 O ARG A 29 11.344 8.058 -0.219 1.00 0.00 O ATOM 433 CB ARG A 29 8.516 9.485 0.244 1.00 0.00 C ATOM 434 CG ARG A 29 7.443 9.871 -0.776 1.00 0.00 C ATOM 435 CD ARG A 29 7.586 11.351 -1.134 1.00 0.00 C ATOM 436 NE ARG A 29 8.426 11.517 -2.317 1.00 0.00 N ATOM 437 CZ ARG A 29 9.689 11.920 -2.210 1.00 0.00 C ATOM 438 NH1 ARG A 29 9.954 13.146 -1.852 1.00 0.00 N ATOM 439 NH2 ARG A 29 10.663 11.089 -2.462 1.00 0.00 N ATOM 0 H ARG A 29 7.240 7.561 1.143 1.00 0.00 H new ATOM 0 HA ARG A 29 8.915 7.811 -1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.128 9.600 1.256 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.374 10.151 0.154 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.541 9.258 -1.672 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.451 9.680 -0.366 1.00 0.00 H new ATOM 0 HD2 ARG A 29 6.602 11.783 -1.317 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.021 11.893 -0.294 1.00 0.00 H new ATOM 0 HE ARG A 29 8.038 11.321 -3.240 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.193 13.795 -1.654 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.923 13.455 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.456 10.130 -2.741 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.631 11.398 -2.380 1.00 0.00 H new ATOM 453 N ASN A 30 10.499 7.470 1.784 1.00 0.00 N ATOM 454 CA ASN A 30 11.813 7.258 2.383 1.00 0.00 C ATOM 455 C ASN A 30 12.121 5.767 2.463 1.00 0.00 C ATOM 456 O ASN A 30 11.226 4.927 2.362 1.00 0.00 O ATOM 457 CB ASN A 30 11.864 7.855 3.791 1.00 0.00 C ATOM 458 CG ASN A 30 13.317 8.030 4.218 1.00 0.00 C ATOM 459 OD1 ASN A 30 14.010 8.924 3.732 1.00 0.00 O ATOM 460 ND2 ASN A 30 13.826 7.221 5.106 1.00 0.00 N ATOM 0 H ASN A 30 9.712 7.298 2.410 1.00 0.00 H new ATOM 0 HA ASN A 30 12.555 7.752 1.756 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.351 8.816 3.808 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.344 7.203 4.493 1.00 0.00 H new ATOM 0 HD21 ASN A 30 14.798 7.329 5.397 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.252 6.480 5.509 1.00 0.00 H new ATOM 467 N ARG A 31 13.398 5.445 2.646 1.00 0.00 N ATOM 468 CA ARG A 31 13.814 4.048 2.737 1.00 0.00 C ATOM 469 C ARG A 31 13.427 3.465 4.093 1.00 0.00 C ATOM 470 O ARG A 31 14.244 3.389 5.011 1.00 0.00 O ATOM 471 CB ARG A 31 15.328 3.924 2.552 1.00 0.00 C ATOM 472 CG ARG A 31 15.747 4.636 1.263 1.00 0.00 C ATOM 473 CD ARG A 31 16.923 3.893 0.626 1.00 0.00 C ATOM 474 NE ARG A 31 17.305 4.519 -0.636 1.00 0.00 N ATOM 475 CZ ARG A 31 18.522 4.349 -1.145 1.00 0.00 C ATOM 476 NH1 ARG A 31 19.508 5.103 -0.740 1.00 0.00 N ATOM 477 NH2 ARG A 31 18.730 3.430 -2.047 1.00 0.00 N ATOM 0 H ARG A 31 14.155 6.123 2.733 1.00 0.00 H new ATOM 0 HA ARG A 31 13.308 3.495 1.946 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.846 4.361 3.406 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.615 2.873 2.509 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.908 4.675 0.568 1.00 0.00 H new ATOM 0 HG3 ARG A 31 16.029 5.666 1.480 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.772 3.892 1.309 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.651 2.852 0.454 1.00 0.00 H new ATOM 0 HE ARG A 31 16.628 5.096 -1.135 1.00 0.00 H new ATOM 0 HH11 ARG A 31 19.344 5.821 -0.034 1.00 0.00 H new ATOM 0 HH12 ARG A 31 20.442 4.974 -1.129 1.00 0.00 H new ATOM 0 HH21 ARG A 31 17.959 2.841 -2.362 1.00 0.00 H new ATOM 0 HH22 ARG A 31 19.664 3.300 -2.437 1.00 0.00 H new ATOM 491 N GLU A 32 12.167 3.056 4.208 1.00 0.00 N ATOM 492 CA GLU A 32 11.673 2.480 5.457 1.00 0.00 C ATOM 493 C GLU A 32 10.614 1.418 5.174 1.00 0.00 C ATOM 494 O GLU A 32 10.654 0.320 5.727 1.00 0.00 O ATOM 495 CB GLU A 32 11.062 3.568 6.343 1.00 0.00 C ATOM 496 CG GLU A 32 12.160 4.207 7.196 1.00 0.00 C ATOM 497 CD GLU A 32 12.577 3.238 8.297 1.00 0.00 C ATOM 498 OE1 GLU A 32 11.790 3.027 9.204 1.00 0.00 O ATOM 499 OE2 GLU A 32 13.680 2.721 8.218 1.00 0.00 O ATOM 0 H GLU A 32 11.475 3.111 3.461 1.00 0.00 H new ATOM 0 HA GLU A 32 12.517 2.022 5.973 1.00 0.00 H new ATOM 0 HB2 GLU A 32 10.579 4.326 5.726 1.00 0.00 H new ATOM 0 HB3 GLU A 32 10.291 3.140 6.984 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.019 4.458 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.800 5.138 7.633 1.00 0.00 H new ATOM 506 N GLU A 33 9.663 1.761 4.305 1.00 0.00 N ATOM 507 CA GLU A 33 8.589 0.833 3.947 1.00 0.00 C ATOM 508 C GLU A 33 7.719 0.528 5.164 1.00 0.00 C ATOM 509 O GLU A 33 8.223 0.232 6.247 1.00 0.00 O ATOM 510 CB GLU A 33 9.160 -0.479 3.400 1.00 0.00 C ATOM 511 CG GLU A 33 10.147 -0.176 2.272 1.00 0.00 C ATOM 512 CD GLU A 33 9.380 0.241 1.022 1.00 0.00 C ATOM 513 OE1 GLU A 33 9.046 -0.632 0.239 1.00 0.00 O ATOM 514 OE2 GLU A 33 9.139 1.426 0.866 1.00 0.00 O ATOM 0 H GLU A 33 9.614 2.667 3.839 1.00 0.00 H new ATOM 0 HA GLU A 33 7.984 1.309 3.175 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.660 -1.030 4.196 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.354 -1.113 3.031 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.829 0.619 2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.756 -1.055 2.061 1.00 0.00 H new ATOM 521 N VAL A 34 6.405 0.607 4.970 1.00 0.00 N ATOM 522 CA VAL A 34 5.467 0.339 6.058 1.00 0.00 C ATOM 523 C VAL A 34 4.621 -0.892 5.740 1.00 0.00 C ATOM 524 O VAL A 34 4.346 -1.716 6.612 1.00 0.00 O ATOM 525 CB VAL A 34 4.542 1.538 6.278 1.00 0.00 C ATOM 526 CG1 VAL A 34 3.704 1.316 7.539 1.00 0.00 C ATOM 527 CG2 VAL A 34 5.381 2.808 6.443 1.00 0.00 C ATOM 0 H VAL A 34 5.969 0.851 4.081 1.00 0.00 H new ATOM 0 HA VAL A 34 6.046 0.159 6.964 1.00 0.00 H new ATOM 0 HB VAL A 34 3.882 1.646 5.418 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.046 2.171 7.694 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.105 0.413 7.423 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.364 1.205 8.400 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.722 3.662 6.600 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.043 2.698 7.302 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.977 2.970 5.545 1.00 0.00 H new ATOM 537 N ASP A 35 4.211 -1.005 4.478 1.00 0.00 N ATOM 538 CA ASP A 35 3.392 -2.137 4.048 1.00 0.00 C ATOM 539 C ASP A 35 2.066 -2.156 4.802 1.00 0.00 C ATOM 540 O ASP A 35 1.997 -2.584 5.954 1.00 0.00 O ATOM 541 CB ASP A 35 4.128 -3.458 4.295 1.00 0.00 C ATOM 542 CG ASP A 35 3.404 -4.586 3.568 1.00 0.00 C ATOM 543 OD1 ASP A 35 2.293 -4.902 3.961 1.00 0.00 O ATOM 544 OD2 ASP A 35 3.972 -5.121 2.630 1.00 0.00 O ATOM 0 H ASP A 35 4.430 -0.334 3.742 1.00 0.00 H new ATOM 0 HA ASP A 35 3.199 -2.024 2.981 1.00 0.00 H new ATOM 0 HB2 ASP A 35 5.157 -3.385 3.942 1.00 0.00 H new ATOM 0 HB3 ASP A 35 4.171 -3.668 5.364 1.00 0.00 H new ATOM 549 N ASP A 36 1.014 -1.686 4.137 1.00 0.00 N ATOM 550 CA ASP A 36 -0.312 -1.651 4.749 1.00 0.00 C ATOM 551 C ASP A 36 -1.366 -2.171 3.768 1.00 0.00 C ATOM 552 O ASP A 36 -1.108 -2.274 2.570 1.00 0.00 O ATOM 553 CB ASP A 36 -0.672 -0.221 5.162 1.00 0.00 C ATOM 554 CG ASP A 36 -0.254 0.011 6.611 1.00 0.00 C ATOM 555 OD1 ASP A 36 0.922 -0.136 6.898 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.117 0.333 7.411 1.00 0.00 O ATOM 0 H ASP A 36 1.052 -1.327 3.183 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.294 -2.289 5.633 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -0.172 0.494 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.744 -0.058 5.051 1.00 0.00 H new ATOM 561 N PRO A 37 -2.566 -2.507 4.265 1.00 0.00 N ATOM 562 CA PRO A 37 -3.653 -3.021 3.415 1.00 0.00 C ATOM 563 C PRO A 37 -4.241 -1.947 2.501 1.00 0.00 C ATOM 564 O PRO A 37 -4.374 -2.145 1.294 1.00 0.00 O ATOM 565 CB PRO A 37 -4.701 -3.509 4.411 1.00 0.00 C ATOM 566 CG PRO A 37 -4.451 -2.723 5.650 1.00 0.00 C ATOM 567 CD PRO A 37 -2.980 -2.422 5.677 1.00 0.00 C ATOM 0 HA PRO A 37 -3.298 -3.801 2.742 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.710 -3.342 4.035 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.602 -4.579 4.596 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.035 -1.803 5.650 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.747 -3.288 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.784 -1.433 6.090 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.438 -3.139 6.294 1.00 0.00 H new ATOM 575 N LYS A 38 -4.592 -0.805 3.092 1.00 0.00 N ATOM 576 CA LYS A 38 -5.167 0.300 2.323 1.00 0.00 C ATOM 577 C LYS A 38 -4.222 0.728 1.201 1.00 0.00 C ATOM 578 O LYS A 38 -4.660 1.189 0.146 1.00 0.00 O ATOM 579 CB LYS A 38 -5.432 1.502 3.233 1.00 0.00 C ATOM 580 CG LYS A 38 -6.614 1.195 4.155 1.00 0.00 C ATOM 581 CD LYS A 38 -6.819 2.359 5.128 1.00 0.00 C ATOM 582 CE LYS A 38 -7.507 1.849 6.396 1.00 0.00 C ATOM 583 NZ LYS A 38 -6.513 1.450 7.432 1.00 0.00 N ATOM 0 H LYS A 38 -4.490 -0.621 4.090 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.106 -0.048 1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.544 1.726 3.825 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.646 2.386 2.632 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.517 1.037 3.566 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.428 0.274 4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.859 2.811 5.379 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.424 3.136 4.660 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.159 2.626 6.795 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.140 0.997 6.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.012 1.109 8.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -5.907 0.692 7.058 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -5.925 2.270 7.683 1.00 0.00 H new ATOM 597 N LEU A 39 -2.923 0.567 1.439 1.00 0.00 N ATOM 598 CA LEU A 39 -1.924 0.937 0.441 1.00 0.00 C ATOM 599 C LEU A 39 -2.068 0.063 -0.804 1.00 0.00 C ATOM 600 O LEU A 39 -2.132 0.562 -1.927 1.00 0.00 O ATOM 601 CB LEU A 39 -0.512 0.779 1.016 1.00 0.00 C ATOM 602 CG LEU A 39 0.462 1.909 0.674 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.770 1.705 1.440 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.746 1.898 -0.830 1.00 0.00 C ATOM 0 H LEU A 39 -2.540 0.187 2.305 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.084 1.980 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.586 0.700 2.101 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.094 -0.161 0.656 1.00 0.00 H new ATOM 0 HG LEU A 39 0.022 2.866 0.955 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.464 2.510 1.196 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.569 1.711 2.511 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.211 0.749 1.159 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.440 2.702 -1.075 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.186 0.941 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.185 2.043 -1.377 1.00 0.00 H new ATOM 616 N LYS A 40 -2.119 -1.248 -0.588 1.00 0.00 N ATOM 617 CA LYS A 40 -2.257 -2.191 -1.697 1.00 0.00 C ATOM 618 C LYS A 40 -3.580 -1.965 -2.424 1.00 0.00 C ATOM 619 O LYS A 40 -3.657 -2.062 -3.649 1.00 0.00 O ATOM 620 CB LYS A 40 -2.212 -3.633 -1.186 1.00 0.00 C ATOM 621 CG LYS A 40 -0.950 -3.844 -0.346 1.00 0.00 C ATOM 622 CD LYS A 40 -0.803 -5.329 -0.007 1.00 0.00 C ATOM 623 CE LYS A 40 -1.557 -5.635 1.288 1.00 0.00 C ATOM 624 NZ LYS A 40 -1.987 -7.062 1.343 1.00 0.00 N ATOM 0 H LYS A 40 -2.068 -1.680 0.335 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.428 -2.024 -2.385 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.098 -3.845 -0.588 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.221 -4.327 -2.026 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.074 -3.497 -0.894 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.007 -3.255 0.570 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.195 -5.939 -0.821 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.251 -5.585 0.104 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -0.919 -5.412 2.143 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.430 -4.987 1.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -2.495 -7.237 2.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.615 -7.267 0.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -1.151 -7.679 1.295 1.00 0.00 H new ATOM 638 N GLU A 41 -4.619 -1.667 -1.650 1.00 0.00 N ATOM 639 CA GLU A 41 -5.945 -1.431 -2.218 1.00 0.00 C ATOM 640 C GLU A 41 -5.940 -0.197 -3.114 1.00 0.00 C ATOM 641 O GLU A 41 -6.337 -0.253 -4.278 1.00 0.00 O ATOM 642 CB GLU A 41 -6.970 -1.218 -1.102 1.00 0.00 C ATOM 643 CG GLU A 41 -7.401 -2.571 -0.536 1.00 0.00 C ATOM 644 CD GLU A 41 -8.488 -3.170 -1.422 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.145 -3.749 -2.440 1.00 0.00 O ATOM 646 OE2 GLU A 41 -9.649 -3.041 -1.070 1.00 0.00 O ATOM 0 H GLU A 41 -4.571 -1.583 -0.635 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.213 -2.307 -2.809 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.540 -0.602 -0.312 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.837 -0.681 -1.488 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.546 -3.245 -0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.772 -2.450 0.482 1.00 0.00 H new ATOM 653 N HIS A 42 -5.492 0.921 -2.551 1.00 0.00 N ATOM 654 CA HIS A 42 -5.445 2.183 -3.289 1.00 0.00 C ATOM 655 C HIS A 42 -4.635 2.043 -4.577 1.00 0.00 C ATOM 656 O HIS A 42 -5.096 2.412 -5.656 1.00 0.00 O ATOM 657 CB HIS A 42 -4.810 3.273 -2.422 1.00 0.00 C ATOM 658 CG HIS A 42 -5.233 4.627 -2.923 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.352 5.694 -2.994 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.437 5.103 -3.377 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.033 6.751 -3.474 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.309 6.445 -3.724 1.00 0.00 N ATOM 0 H HIS A 42 -5.157 0.981 -1.589 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.469 2.455 -3.545 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.113 3.148 -1.383 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.724 3.187 -2.450 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.346 4.525 -3.454 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.601 7.727 -3.637 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.034 7.062 -4.090 1.00 0.00 H new ATOM 670 N ALA A 43 -3.420 1.512 -4.448 1.00 0.00 N ATOM 671 CA ALA A 43 -2.538 1.334 -5.605 1.00 0.00 C ATOM 672 C ALA A 43 -3.225 0.540 -6.716 1.00 0.00 C ATOM 673 O ALA A 43 -3.110 0.873 -7.896 1.00 0.00 O ATOM 674 CB ALA A 43 -1.260 0.603 -5.193 1.00 0.00 C ATOM 0 H ALA A 43 -3.024 1.199 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.294 2.327 -5.982 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.615 0.478 -6.063 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.737 1.185 -4.434 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.515 -0.376 -4.788 1.00 0.00 H new ATOM 680 N PHE A 44 -3.937 -0.517 -6.329 1.00 0.00 N ATOM 681 CA PHE A 44 -4.634 -1.354 -7.306 1.00 0.00 C ATOM 682 C PHE A 44 -5.629 -0.521 -8.113 1.00 0.00 C ATOM 683 O PHE A 44 -5.831 -0.751 -9.306 1.00 0.00 O ATOM 684 CB PHE A 44 -5.384 -2.488 -6.600 1.00 0.00 C ATOM 685 CG PHE A 44 -5.947 -3.445 -7.627 1.00 0.00 C ATOM 686 CD1 PHE A 44 -5.106 -4.019 -8.588 1.00 0.00 C ATOM 687 CD2 PHE A 44 -7.311 -3.757 -7.617 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.628 -4.904 -9.538 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.835 -4.642 -8.568 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.993 -5.216 -9.528 1.00 0.00 C ATOM 0 H PHE A 44 -4.046 -0.812 -5.359 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.889 -1.777 -7.980 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.711 -3.018 -5.926 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -6.189 -2.079 -5.990 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -4.053 -3.778 -8.596 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.960 -3.315 -6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.978 -5.346 -10.279 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.888 -4.881 -8.561 1.00 0.00 H new ATOM 0 HZ PHE A 44 -7.396 -5.899 -10.261 1.00 0.00 H new ATOM 700 N CYS A 45 -6.245 0.449 -7.448 1.00 0.00 N ATOM 701 CA CYS A 45 -7.216 1.317 -8.108 1.00 0.00 C ATOM 702 C CYS A 45 -6.529 2.203 -9.146 1.00 0.00 C ATOM 703 O CYS A 45 -7.138 2.601 -10.138 1.00 0.00 O ATOM 704 CB CYS A 45 -7.919 2.209 -7.079 1.00 0.00 C ATOM 705 SG CYS A 45 -9.454 1.421 -6.531 1.00 0.00 S ATOM 0 H CYS A 45 -6.092 0.654 -6.461 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.950 0.682 -8.605 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.263 2.382 -6.226 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -8.136 3.183 -7.517 1.00 0.00 H new ATOM 710 N ILE A 46 -5.258 2.513 -8.904 1.00 0.00 N ATOM 711 CA ILE A 46 -4.504 3.363 -9.826 1.00 0.00 C ATOM 712 C ILE A 46 -3.929 2.531 -10.968 1.00 0.00 C ATOM 713 O ILE A 46 -3.908 2.963 -12.120 1.00 0.00 O ATOM 714 CB ILE A 46 -3.352 4.086 -9.109 1.00 0.00 C ATOM 715 CG1 ILE A 46 -3.786 4.558 -7.708 1.00 0.00 C ATOM 716 CG2 ILE A 46 -2.925 5.300 -9.935 1.00 0.00 C ATOM 717 CD1 ILE A 46 -5.034 5.445 -7.805 1.00 0.00 C ATOM 0 H ILE A 46 -4.733 2.194 -8.090 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.197 4.107 -10.220 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.521 3.389 -9.001 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.994 3.695 -7.075 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.974 5.112 -7.236 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.108 5.815 -9.429 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.592 4.971 -10.920 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.770 5.980 -10.046 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.328 5.770 -6.807 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.814 6.317 -8.421 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.849 4.879 -8.257 1.00 0.00 H new ATOM 729 N LEU A 47 -3.460 1.329 -10.636 1.00 0.00 N ATOM 730 CA LEU A 47 -2.884 0.441 -11.643 1.00 0.00 C ATOM 731 C LEU A 47 -3.922 0.112 -12.717 1.00 0.00 C ATOM 732 O LEU A 47 -3.665 0.245 -13.914 1.00 0.00 O ATOM 733 CB LEU A 47 -2.386 -0.858 -10.991 1.00 0.00 C ATOM 734 CG LEU A 47 -0.876 -1.103 -11.070 1.00 0.00 C ATOM 735 CD1 LEU A 47 -0.559 -2.503 -10.541 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.415 -0.995 -12.526 1.00 0.00 C ATOM 0 H LEU A 47 -3.467 0.951 -9.689 1.00 0.00 H new ATOM 0 HA LEU A 47 -2.040 0.951 -12.107 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.680 -0.852 -9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.897 -1.698 -11.461 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.356 -0.358 -10.468 1.00 0.00 H new ATOM 0 HD11 LEU A 47 0.515 -2.678 -10.597 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.886 -2.583 -9.504 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.080 -3.246 -11.144 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.660 -1.169 -12.581 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.935 -1.740 -13.128 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.641 0.001 -12.906 1.00 0.00 H new ATOM 748 N LYS A 48 -5.099 -0.319 -12.271 1.00 0.00 N ATOM 749 CA LYS A 48 -6.175 -0.666 -13.195 1.00 0.00 C ATOM 750 C LYS A 48 -6.639 0.569 -13.962 1.00 0.00 C ATOM 751 O LYS A 48 -6.835 0.526 -15.176 1.00 0.00 O ATOM 752 CB LYS A 48 -7.363 -1.257 -12.433 1.00 0.00 C ATOM 753 CG LYS A 48 -8.294 -1.977 -13.412 1.00 0.00 C ATOM 754 CD LYS A 48 -9.746 -1.813 -12.952 1.00 0.00 C ATOM 755 CE LYS A 48 -10.150 -0.342 -13.047 1.00 0.00 C ATOM 756 NZ LYS A 48 -11.631 -0.187 -13.122 1.00 0.00 N ATOM 0 H LYS A 48 -5.331 -0.436 -11.285 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.791 -1.405 -13.898 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.010 -1.953 -11.672 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.905 -0.466 -11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.171 -1.568 -14.415 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.036 -3.035 -13.465 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -10.405 -2.422 -13.570 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.855 -2.165 -11.926 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -9.770 0.198 -12.180 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.691 0.107 -13.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.872 0.823 -13.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.990 -0.682 -13.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -12.066 -0.594 -12.269 1.00 0.00 H new ATOM 770 N ARG A 49 -6.813 1.670 -13.236 1.00 0.00 N ATOM 771 CA ARG A 49 -7.257 2.917 -13.854 1.00 0.00 C ATOM 772 C ARG A 49 -6.228 3.405 -14.870 1.00 0.00 C ATOM 773 O ARG A 49 -6.576 3.852 -15.962 1.00 0.00 O ATOM 774 CB ARG A 49 -7.459 4.000 -12.791 1.00 0.00 C ATOM 775 CG ARG A 49 -8.896 3.945 -12.267 1.00 0.00 C ATOM 776 CD ARG A 49 -9.756 4.961 -13.021 1.00 0.00 C ATOM 777 NE ARG A 49 -10.206 4.410 -14.297 1.00 0.00 N ATOM 778 CZ ARG A 49 -10.808 5.178 -15.200 1.00 0.00 C ATOM 779 NH1 ARG A 49 -10.134 6.111 -15.818 1.00 0.00 N ATOM 780 NH2 ARG A 49 -12.073 5.001 -15.468 1.00 0.00 N ATOM 0 H ARG A 49 -6.655 1.725 -12.230 1.00 0.00 H new ATOM 0 HA ARG A 49 -8.203 2.723 -14.359 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.756 3.854 -11.971 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.253 4.983 -13.215 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.303 2.942 -12.396 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -8.913 4.161 -11.199 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.618 5.237 -12.414 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -9.183 5.872 -13.194 1.00 0.00 H new ATOM 0 HE ARG A 49 -10.056 3.421 -14.498 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.146 6.250 -15.608 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.596 6.700 -16.511 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -12.600 4.273 -14.985 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -12.535 5.590 -16.161 1.00 0.00 H new ATOM 794 N ALA A 50 -4.956 3.313 -14.494 1.00 0.00 N ATOM 795 CA ALA A 50 -3.874 3.749 -15.377 1.00 0.00 C ATOM 796 C ALA A 50 -3.889 2.956 -16.682 1.00 0.00 C ATOM 797 O ALA A 50 -3.487 3.456 -17.732 1.00 0.00 O ATOM 798 CB ALA A 50 -2.518 3.557 -14.696 1.00 0.00 C ATOM 0 H ALA A 50 -4.649 2.945 -13.594 1.00 0.00 H new ATOM 0 HA ALA A 50 -4.028 4.806 -15.595 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.724 3.886 -15.367 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.485 4.145 -13.779 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.377 2.503 -14.457 1.00 0.00 H new ATOM 804 N GLY A 51 -4.358 1.712 -16.606 1.00 0.00 N ATOM 805 CA GLY A 51 -4.421 0.860 -17.785 1.00 0.00 C ATOM 806 C GLY A 51 -3.187 -0.031 -17.874 1.00 0.00 C ATOM 807 O GLY A 51 -2.718 -0.363 -18.962 1.00 0.00 O ATOM 0 H GLY A 51 -4.696 1.277 -15.748 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.319 0.243 -17.746 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -4.496 1.476 -18.681 1.00 0.00 H new ATOM 811 N PHE A 52 -2.667 -0.415 -16.711 1.00 0.00 N ATOM 812 CA PHE A 52 -1.485 -1.271 -16.659 1.00 0.00 C ATOM 813 C PHE A 52 -1.877 -2.699 -16.299 1.00 0.00 C ATOM 814 O PHE A 52 -1.254 -3.662 -16.747 1.00 0.00 O ATOM 815 CB PHE A 52 -0.494 -0.748 -15.616 1.00 0.00 C ATOM 816 CG PHE A 52 0.461 0.222 -16.269 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.226 -0.180 -17.370 1.00 0.00 C ATOM 818 CD2 PHE A 52 0.583 1.526 -15.771 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.112 0.720 -17.974 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.469 2.426 -16.375 1.00 0.00 C ATOM 821 CZ PHE A 52 2.233 2.023 -17.476 1.00 0.00 C ATOM 0 H PHE A 52 -3.041 -0.150 -15.800 1.00 0.00 H new ATOM 0 HA PHE A 52 -1.017 -1.261 -17.643 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -1.030 -0.256 -14.804 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.059 -1.578 -15.176 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.133 -1.185 -17.754 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.007 1.837 -14.921 1.00 0.00 H new ATOM 0 HE1 PHE A 52 2.702 0.409 -18.824 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.563 3.431 -15.991 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.916 2.717 -17.942 1.00 0.00 H new ATOM 831 N ILE A 53 -2.918 -2.826 -15.482 1.00 0.00 N ATOM 832 CA ILE A 53 -3.391 -4.141 -15.059 1.00 0.00 C ATOM 833 C ILE A 53 -4.853 -4.338 -15.469 1.00 0.00 C ATOM 834 O ILE A 53 -5.643 -3.393 -15.460 1.00 0.00 O ATOM 835 CB ILE A 53 -3.238 -4.291 -13.536 1.00 0.00 C ATOM 836 CG1 ILE A 53 -3.550 -5.730 -13.128 1.00 0.00 C ATOM 837 CG2 ILE A 53 -4.188 -3.335 -12.802 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.922 -6.017 -11.761 1.00 0.00 C ATOM 0 H ILE A 53 -3.447 -2.041 -15.102 1.00 0.00 H new ATOM 0 HA ILE A 53 -2.789 -4.906 -15.550 1.00 0.00 H new ATOM 0 HB ILE A 53 -2.212 -4.045 -13.264 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -4.628 -5.882 -13.084 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.160 -6.424 -13.873 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.065 -3.456 -11.726 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.957 -2.307 -13.081 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -5.218 -3.563 -13.078 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -3.143 -7.043 -11.467 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.842 -5.881 -11.821 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.333 -5.331 -11.020 1.00 0.00 H new ATOM 850 N ASP A 54 -5.204 -5.569 -15.831 1.00 0.00 N ATOM 851 CA ASP A 54 -6.575 -5.862 -16.245 1.00 0.00 C ATOM 852 C ASP A 54 -7.425 -6.286 -15.049 1.00 0.00 C ATOM 853 O ASP A 54 -6.913 -6.779 -14.046 1.00 0.00 O ATOM 854 CB ASP A 54 -6.602 -6.978 -17.298 1.00 0.00 C ATOM 855 CG ASP A 54 -5.940 -8.247 -16.755 1.00 0.00 C ATOM 856 OD1 ASP A 54 -5.638 -8.293 -15.571 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.746 -9.163 -17.538 1.00 0.00 O ATOM 0 H ASP A 54 -4.571 -6.369 -15.847 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.988 -4.950 -16.676 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.632 -7.192 -17.583 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -6.084 -6.648 -18.199 1.00 0.00 H new ATOM 862 N ALA A 55 -8.735 -6.083 -15.177 1.00 0.00 N ATOM 863 CA ALA A 55 -9.674 -6.442 -14.112 1.00 0.00 C ATOM 864 C ALA A 55 -9.531 -7.910 -13.697 1.00 0.00 C ATOM 865 O ALA A 55 -9.929 -8.292 -12.596 1.00 0.00 O ATOM 866 CB ALA A 55 -11.113 -6.195 -14.566 1.00 0.00 C ATOM 0 H ALA A 55 -9.171 -5.674 -16.004 1.00 0.00 H new ATOM 0 HA ALA A 55 -9.438 -5.813 -13.253 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.799 -6.466 -13.764 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -11.241 -5.141 -14.812 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -11.326 -6.801 -15.446 1.00 0.00 H new ATOM 872 N SER A 56 -8.974 -8.735 -14.586 1.00 0.00 N ATOM 873 CA SER A 56 -8.808 -10.159 -14.286 1.00 0.00 C ATOM 874 C SER A 56 -7.435 -10.452 -13.678 1.00 0.00 C ATOM 875 O SER A 56 -6.945 -11.580 -13.746 1.00 0.00 O ATOM 876 CB SER A 56 -8.970 -10.993 -15.558 1.00 0.00 C ATOM 877 OG SER A 56 -7.991 -10.596 -16.509 1.00 0.00 O ATOM 0 H SER A 56 -8.635 -8.449 -15.505 1.00 0.00 H new ATOM 0 HA SER A 56 -9.577 -10.426 -13.561 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.861 -12.053 -15.328 1.00 0.00 H new ATOM 0 HB3 SER A 56 -9.970 -10.858 -15.970 1.00 0.00 H new ATOM 0 HG SER A 56 -8.092 -11.130 -17.324 1.00 0.00 H new ATOM 883 N GLY A 57 -6.817 -9.436 -13.075 1.00 0.00 N ATOM 884 CA GLY A 57 -5.505 -9.612 -12.454 1.00 0.00 C ATOM 885 C GLY A 57 -4.480 -10.123 -13.462 1.00 0.00 C ATOM 886 O GLY A 57 -4.363 -11.325 -13.699 1.00 0.00 O ATOM 0 H GLY A 57 -7.199 -8.493 -13.004 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -5.167 -8.663 -12.037 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.584 -10.314 -11.624 1.00 0.00 H new ATOM 890 N GLU A 58 -3.736 -9.191 -14.050 1.00 0.00 N ATOM 891 CA GLU A 58 -2.714 -9.547 -15.031 1.00 0.00 C ATOM 892 C GLU A 58 -1.711 -8.409 -15.181 1.00 0.00 C ATOM 893 O GLU A 58 -2.000 -7.383 -15.797 1.00 0.00 O ATOM 894 CB GLU A 58 -3.352 -9.834 -16.391 1.00 0.00 C ATOM 895 CG GLU A 58 -2.439 -10.756 -17.200 1.00 0.00 C ATOM 896 CD GLU A 58 -1.407 -9.921 -17.950 1.00 0.00 C ATOM 897 OE1 GLU A 58 -1.785 -8.894 -18.490 1.00 0.00 O ATOM 898 OE2 GLU A 58 -0.255 -10.320 -17.973 1.00 0.00 O ATOM 0 H GLU A 58 -3.820 -8.191 -13.867 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.202 -10.442 -14.678 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -4.328 -10.300 -16.255 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.516 -8.902 -16.931 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -1.939 -11.462 -16.537 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.029 -11.343 -17.904 1.00 0.00 H new ATOM 905 N PHE A 59 -0.529 -8.600 -14.604 1.00 0.00 N ATOM 906 CA PHE A 59 0.515 -7.579 -14.670 1.00 0.00 C ATOM 907 C PHE A 59 1.056 -7.447 -16.091 1.00 0.00 C ATOM 908 O PHE A 59 1.180 -8.432 -16.820 1.00 0.00 O ATOM 909 CB PHE A 59 1.670 -7.926 -13.725 1.00 0.00 C ATOM 910 CG PHE A 59 2.143 -9.337 -13.989 1.00 0.00 C ATOM 911 CD1 PHE A 59 2.959 -9.608 -15.094 1.00 0.00 C ATOM 912 CD2 PHE A 59 1.766 -10.374 -13.127 1.00 0.00 C ATOM 913 CE1 PHE A 59 3.399 -10.914 -15.337 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.206 -11.681 -13.370 1.00 0.00 C ATOM 915 CZ PHE A 59 3.022 -11.951 -14.475 1.00 0.00 C ATOM 0 H PHE A 59 -0.270 -9.442 -14.090 1.00 0.00 H new ATOM 0 HA PHE A 59 0.070 -6.632 -14.366 1.00 0.00 H new ATOM 0 HB2 PHE A 59 2.492 -7.225 -13.868 1.00 0.00 H new ATOM 0 HB3 PHE A 59 1.345 -7.830 -12.689 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.249 -8.808 -15.759 1.00 0.00 H new ATOM 0 HD2 PHE A 59 1.136 -10.166 -12.275 1.00 0.00 H new ATOM 0 HE1 PHE A 59 4.029 -11.122 -16.189 1.00 0.00 H new ATOM 0 HE2 PHE A 59 1.916 -12.481 -12.705 1.00 0.00 H new ATOM 0 HZ PHE A 59 3.361 -12.959 -14.663 1.00 0.00 H new ATOM 925 N GLN A 60 1.379 -6.213 -16.471 1.00 0.00 N ATOM 926 CA GLN A 60 1.913 -5.943 -17.804 1.00 0.00 C ATOM 927 C GLN A 60 3.169 -5.084 -17.698 1.00 0.00 C ATOM 928 O GLN A 60 3.119 -3.862 -17.834 1.00 0.00 O ATOM 929 CB GLN A 60 0.878 -5.210 -18.660 1.00 0.00 C ATOM 930 CG GLN A 60 -0.159 -6.210 -19.176 1.00 0.00 C ATOM 931 CD GLN A 60 -1.361 -5.455 -19.733 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.629 -4.320 -19.335 1.00 0.00 O ATOM 933 NE2 GLN A 60 -2.109 -6.022 -20.639 1.00 0.00 N ATOM 0 H GLN A 60 1.281 -5.388 -15.879 1.00 0.00 H new ATOM 0 HA GLN A 60 2.156 -6.896 -18.274 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.389 -4.433 -18.072 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.369 -4.714 -19.498 1.00 0.00 H new ATOM 0 HG2 GLN A 60 0.280 -6.838 -19.951 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -0.474 -6.872 -18.369 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.887 -6.961 -20.968 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.916 -5.526 -21.018 1.00 0.00 H new ATOM 942 N LEU A 61 4.295 -5.740 -17.436 1.00 0.00 N ATOM 943 CA LEU A 61 5.567 -5.035 -17.291 1.00 0.00 C ATOM 944 C LEU A 61 6.081 -4.526 -18.635 1.00 0.00 C ATOM 945 O LEU A 61 6.798 -3.527 -18.699 1.00 0.00 O ATOM 946 CB LEU A 61 6.615 -5.964 -16.678 1.00 0.00 C ATOM 947 CG LEU A 61 6.148 -6.763 -15.458 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.331 -7.535 -14.868 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.589 -5.805 -14.404 1.00 0.00 C ATOM 0 H LEU A 61 4.355 -6.752 -17.320 1.00 0.00 H new ATOM 0 HA LEU A 61 5.395 -4.180 -16.637 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.949 -6.664 -17.444 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.482 -5.368 -16.391 1.00 0.00 H new ATOM 0 HG LEU A 61 5.371 -7.465 -15.761 1.00 0.00 H new ATOM 0 HD11 LEU A 61 6.998 -8.103 -14.000 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.730 -8.218 -15.618 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.109 -6.834 -14.566 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.256 -6.373 -13.535 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.366 -5.103 -14.102 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.746 -5.256 -14.822 1.00 0.00 H new ATOM 961 N ASP A 62 5.718 -5.223 -19.707 1.00 0.00 N ATOM 962 CA ASP A 62 6.163 -4.828 -21.043 1.00 0.00 C ATOM 963 C ASP A 62 5.701 -3.410 -21.379 1.00 0.00 C ATOM 964 O ASP A 62 6.350 -2.699 -22.146 1.00 0.00 O ATOM 965 CB ASP A 62 5.616 -5.792 -22.098 1.00 0.00 C ATOM 966 CG ASP A 62 4.099 -5.877 -21.976 1.00 0.00 C ATOM 967 OD1 ASP A 62 3.633 -6.334 -20.946 1.00 0.00 O ATOM 968 OD2 ASP A 62 3.426 -5.484 -22.914 1.00 0.00 O ATOM 0 H ASP A 62 5.125 -6.053 -19.681 1.00 0.00 H new ATOM 0 HA ASP A 62 7.253 -4.859 -21.048 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.892 -5.450 -23.095 1.00 0.00 H new ATOM 0 HB3 ASP A 62 6.057 -6.780 -21.966 1.00 0.00 H new ATOM 973 N HIS A 63 4.574 -3.007 -20.799 1.00 0.00 N ATOM 974 CA HIS A 63 4.038 -1.671 -21.049 1.00 0.00 C ATOM 975 C HIS A 63 4.597 -0.669 -20.040 1.00 0.00 C ATOM 976 O HIS A 63 4.771 0.510 -20.347 1.00 0.00 O ATOM 977 CB HIS A 63 2.512 -1.680 -20.951 1.00 0.00 C ATOM 978 CG HIS A 63 1.929 -2.201 -22.235 1.00 0.00 C ATOM 979 ND1 HIS A 63 1.488 -3.448 -22.605 1.00 0.00 N flip ATOM 980 CD2 HIS A 63 1.739 -1.389 -23.343 1.00 0.00 C flip ATOM 981 CE1 HIS A 63 1.033 -3.414 -23.920 1.00 0.00 C flip ATOM 982 NE2 HIS A 63 1.207 -2.150 -24.317 1.00 0.00 N flip ATOM 0 H HIS A 63 4.020 -3.577 -20.160 1.00 0.00 H new ATOM 0 HA HIS A 63 4.336 -1.374 -22.055 1.00 0.00 H new ATOM 0 HB2 HIS A 63 2.195 -2.304 -20.116 1.00 0.00 H new ATOM 0 HB3 HIS A 63 2.144 -0.673 -20.754 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.975 -0.337 -23.412 1.00 0.00 H new ATOM 0 HE1 HIS A 63 0.627 -4.233 -24.495 1.00 0.00 H new ATOM 0 HE2 HIS A 63 0.966 -1.804 -25.246 1.00 0.00 H new ATOM 990 N ILE A 64 4.869 -1.153 -18.831 1.00 0.00 N ATOM 991 CA ILE A 64 5.403 -0.293 -17.775 1.00 0.00 C ATOM 992 C ILE A 64 6.827 0.154 -18.105 1.00 0.00 C ATOM 993 O ILE A 64 7.141 1.344 -18.077 1.00 0.00 O ATOM 994 CB ILE A 64 5.408 -1.042 -16.436 1.00 0.00 C ATOM 995 CG1 ILE A 64 3.986 -1.508 -16.109 1.00 0.00 C ATOM 996 CG2 ILE A 64 5.905 -0.121 -15.318 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.036 -2.688 -15.130 1.00 0.00 C ATOM 0 H ILE A 64 4.731 -2.126 -18.558 1.00 0.00 H new ATOM 0 HA ILE A 64 4.763 0.587 -17.702 1.00 0.00 H new ATOM 0 HB ILE A 64 6.073 -1.902 -16.514 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.416 -0.687 -15.674 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.472 -1.804 -17.023 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.904 -0.663 -14.372 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.918 0.212 -15.544 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.247 0.745 -15.240 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.021 -3.015 -14.902 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.589 -3.512 -15.581 1.00 0.00 H new ATOM 0 HD13 ILE A 64 4.533 -2.377 -14.211 1.00 0.00 H new ATOM 1009 N LYS A 65 7.689 -0.817 -18.399 1.00 0.00 N ATOM 1010 CA LYS A 65 9.089 -0.523 -18.714 1.00 0.00 C ATOM 1011 C LYS A 65 9.204 0.506 -19.841 1.00 0.00 C ATOM 1012 O LYS A 65 10.064 1.388 -19.811 1.00 0.00 O ATOM 1013 CB LYS A 65 9.826 -1.808 -19.113 1.00 0.00 C ATOM 1014 CG LYS A 65 9.226 -2.387 -20.402 1.00 0.00 C ATOM 1015 CD LYS A 65 9.554 -3.883 -20.500 1.00 0.00 C ATOM 1016 CE LYS A 65 11.072 -4.090 -20.550 1.00 0.00 C ATOM 1017 NZ LYS A 65 11.521 -4.493 -21.912 1.00 0.00 N ATOM 0 H LYS A 65 7.447 -1.808 -18.426 1.00 0.00 H new ATOM 0 HA LYS A 65 9.548 -0.104 -17.819 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.885 -1.597 -19.259 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.755 -2.541 -18.309 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.146 -2.241 -20.409 1.00 0.00 H new ATOM 0 HG3 LYS A 65 9.625 -1.860 -21.269 1.00 0.00 H new ATOM 0 HD2 LYS A 65 9.136 -4.411 -19.643 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.092 -4.306 -21.392 1.00 0.00 H new ATOM 0 HE2 LYS A 65 11.576 -3.169 -20.257 1.00 0.00 H new ATOM 0 HE3 LYS A 65 11.360 -4.855 -19.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 12.553 -4.625 -21.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 11.058 -5.384 -22.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 11.267 -3.751 -22.595 1.00 0.00 H new ATOM 1031 N THR A 66 8.330 0.380 -20.834 1.00 0.00 N ATOM 1032 CA THR A 66 8.344 1.300 -21.967 1.00 0.00 C ATOM 1033 C THR A 66 8.070 2.728 -21.504 1.00 0.00 C ATOM 1034 O THR A 66 8.671 3.681 -21.998 1.00 0.00 O ATOM 1035 CB THR A 66 7.287 0.898 -22.998 1.00 0.00 C ATOM 1036 OG1 THR A 66 7.206 -0.518 -23.061 1.00 0.00 O ATOM 1037 CG2 THR A 66 7.678 1.452 -24.369 1.00 0.00 C ATOM 0 H THR A 66 7.610 -0.341 -20.879 1.00 0.00 H new ATOM 0 HA THR A 66 9.333 1.252 -22.423 1.00 0.00 H new ATOM 0 HB THR A 66 6.318 1.304 -22.707 1.00 0.00 H new ATOM 0 HG1 THR A 66 6.526 -0.835 -22.431 1.00 0.00 H new ATOM 0 HG21 THR A 66 6.926 1.167 -25.105 1.00 0.00 H new ATOM 0 HG22 THR A 66 7.741 2.539 -24.318 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.646 1.046 -24.663 1.00 0.00 H new ATOM 1045 N LYS A 67 7.151 2.862 -20.552 1.00 0.00 N ATOM 1046 CA LYS A 67 6.795 4.178 -20.029 1.00 0.00 C ATOM 1047 C LYS A 67 7.976 4.805 -19.293 1.00 0.00 C ATOM 1048 O LYS A 67 8.369 5.937 -19.573 1.00 0.00 O ATOM 1049 CB LYS A 67 5.608 4.070 -19.070 1.00 0.00 C ATOM 1050 CG LYS A 67 4.300 4.205 -19.856 1.00 0.00 C ATOM 1051 CD LYS A 67 3.268 4.954 -19.011 1.00 0.00 C ATOM 1052 CE LYS A 67 1.861 4.615 -19.505 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.693 4.954 -20.947 1.00 0.00 N ATOM 0 H LYS A 67 6.644 2.084 -20.130 1.00 0.00 H new ATOM 0 HA LYS A 67 6.523 4.810 -20.875 1.00 0.00 H new ATOM 0 HB2 LYS A 67 5.634 3.113 -18.549 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.669 4.849 -18.310 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.478 4.740 -20.789 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.920 3.218 -20.122 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.373 4.678 -17.962 1.00 0.00 H new ATOM 0 HD3 LYS A 67 3.439 6.028 -19.077 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.667 3.553 -19.355 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.125 5.160 -18.914 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.682 4.939 -21.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 2.079 5.903 -21.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.200 4.257 -21.529 1.00 0.00 H new ATOM 1067 N PHE A 68 8.534 4.057 -18.346 1.00 0.00 N ATOM 1068 CA PHE A 68 9.669 4.549 -17.571 1.00 0.00 C ATOM 1069 C PHE A 68 10.884 4.775 -18.469 1.00 0.00 C ATOM 1070 O PHE A 68 11.732 5.620 -18.185 1.00 0.00 O ATOM 1071 CB PHE A 68 10.036 3.550 -16.472 1.00 0.00 C ATOM 1072 CG PHE A 68 9.193 3.816 -15.248 1.00 0.00 C ATOM 1073 CD1 PHE A 68 7.952 3.185 -15.101 1.00 0.00 C ATOM 1074 CD2 PHE A 68 9.653 4.696 -14.261 1.00 0.00 C ATOM 1075 CE1 PHE A 68 7.171 3.434 -13.965 1.00 0.00 C ATOM 1076 CE2 PHE A 68 8.871 4.945 -13.126 1.00 0.00 C ATOM 1077 CZ PHE A 68 7.630 4.314 -12.978 1.00 0.00 C ATOM 0 H PHE A 68 8.223 3.118 -18.098 1.00 0.00 H new ATOM 0 HA PHE A 68 9.379 5.498 -17.120 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.875 2.531 -16.823 1.00 0.00 H new ATOM 0 HB3 PHE A 68 11.094 3.638 -16.224 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.597 2.507 -15.863 1.00 0.00 H new ATOM 0 HD2 PHE A 68 10.610 5.183 -14.375 1.00 0.00 H new ATOM 0 HE1 PHE A 68 6.214 2.947 -13.851 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.225 5.624 -12.365 1.00 0.00 H new ATOM 0 HZ PHE A 68 7.027 4.506 -12.103 1.00 0.00 H new ATOM 1087 N LYS A 69 10.963 4.008 -19.555 1.00 0.00 N ATOM 1088 CA LYS A 69 12.084 4.133 -20.484 1.00 0.00 C ATOM 1089 C LYS A 69 11.987 5.435 -21.276 1.00 0.00 C ATOM 1090 O LYS A 69 12.784 6.354 -21.089 1.00 0.00 O ATOM 1091 CB LYS A 69 12.101 2.956 -21.464 1.00 0.00 C ATOM 1092 CG LYS A 69 12.996 1.844 -20.914 1.00 0.00 C ATOM 1093 CD LYS A 69 13.423 0.923 -22.057 1.00 0.00 C ATOM 1094 CE LYS A 69 13.942 -0.395 -21.482 1.00 0.00 C ATOM 1095 NZ LYS A 69 14.787 -1.127 -22.468 1.00 0.00 N ATOM 0 H LYS A 69 10.273 3.302 -19.811 1.00 0.00 H new ATOM 0 HA LYS A 69 13.003 4.135 -19.898 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.089 2.581 -21.615 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.468 3.284 -22.436 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.874 2.274 -20.432 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.461 1.274 -20.154 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.580 0.735 -22.722 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.199 1.402 -22.654 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.522 -0.196 -20.581 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.100 -1.021 -21.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.122 -2.016 -22.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.225 -1.338 -23.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.604 -0.539 -22.730 1.00 0.00 H new ATOM 1109 N GLU A 70 11.004 5.498 -22.172 1.00 0.00 N ATOM 1110 CA GLU A 70 10.808 6.688 -23.005 1.00 0.00 C ATOM 1111 C GLU A 70 10.658 7.941 -22.144 1.00 0.00 C ATOM 1112 O GLU A 70 11.020 9.043 -22.559 1.00 0.00 O ATOM 1113 CB GLU A 70 9.561 6.528 -23.876 1.00 0.00 C ATOM 1114 CG GLU A 70 8.343 6.234 -22.991 1.00 0.00 C ATOM 1115 CD GLU A 70 7.484 7.489 -22.861 1.00 0.00 C ATOM 1116 OE1 GLU A 70 7.965 8.456 -22.294 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.358 7.462 -23.331 1.00 0.00 O ATOM 0 H GLU A 70 10.335 4.747 -22.341 1.00 0.00 H new ATOM 0 HA GLU A 70 11.688 6.797 -23.639 1.00 0.00 H new ATOM 0 HB2 GLU A 70 9.391 7.436 -24.454 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.707 5.718 -24.591 1.00 0.00 H new ATOM 0 HG2 GLU A 70 7.756 5.423 -23.422 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.670 5.902 -22.006 1.00 0.00 H new ATOM 1210 N LYS A 77 17.624 1.172 -16.957 1.00 0.00 N ATOM 1211 CA LYS A 77 17.696 0.796 -15.548 1.00 0.00 C ATOM 1212 C LYS A 77 16.338 0.311 -15.049 1.00 0.00 C ATOM 1213 O LYS A 77 16.239 -0.714 -14.375 1.00 0.00 O ATOM 1214 CB LYS A 77 18.142 1.988 -14.699 1.00 0.00 C ATOM 1215 CG LYS A 77 19.668 2.103 -14.740 1.00 0.00 C ATOM 1216 CD LYS A 77 20.153 2.903 -13.530 1.00 0.00 C ATOM 1217 CE LYS A 77 20.062 4.399 -13.836 1.00 0.00 C ATOM 1218 NZ LYS A 77 20.858 5.203 -12.866 1.00 0.00 N ATOM 0 HA LYS A 77 18.423 -0.011 -15.455 1.00 0.00 H new ATOM 0 HB2 LYS A 77 17.688 2.905 -15.074 1.00 0.00 H new ATOM 0 HB3 LYS A 77 17.804 1.862 -13.670 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.118 1.110 -14.737 1.00 0.00 H new ATOM 0 HG3 LYS A 77 19.982 2.592 -15.662 1.00 0.00 H new ATOM 0 HD2 LYS A 77 19.548 2.663 -12.656 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.181 2.632 -13.290 1.00 0.00 H new ATOM 0 HE2 LYS A 77 20.421 4.587 -14.848 1.00 0.00 H new ATOM 0 HE3 LYS A 77 19.019 4.716 -13.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 20.775 6.213 -13.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 20.499 5.041 -11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.857 4.917 -12.915 1.00 0.00 H new ATOM 1232 N VAL A 78 15.290 1.062 -15.384 1.00 0.00 N ATOM 1233 CA VAL A 78 13.937 0.700 -14.962 1.00 0.00 C ATOM 1234 C VAL A 78 13.555 -0.680 -15.499 1.00 0.00 C ATOM 1235 O VAL A 78 12.921 -1.471 -14.806 1.00 0.00 O ATOM 1236 CB VAL A 78 12.921 1.740 -15.462 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.511 1.387 -14.962 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.312 3.125 -14.938 1.00 0.00 C ATOM 0 H VAL A 78 15.349 1.915 -15.940 1.00 0.00 H new ATOM 0 HA VAL A 78 13.921 0.676 -13.872 1.00 0.00 H new ATOM 0 HB VAL A 78 12.922 1.742 -16.552 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.800 2.131 -15.323 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.228 0.403 -15.336 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.503 1.376 -13.872 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.593 3.864 -15.291 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.315 3.114 -13.848 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.307 3.384 -15.301 1.00 0.00 H new ATOM 1248 N ASP A 79 13.944 -0.957 -16.746 1.00 0.00 N ATOM 1249 CA ASP A 79 13.628 -2.248 -17.384 1.00 0.00 C ATOM 1250 C ASP A 79 13.919 -3.431 -16.456 1.00 0.00 C ATOM 1251 O ASP A 79 13.054 -4.272 -16.217 1.00 0.00 O ATOM 1252 CB ASP A 79 14.422 -2.432 -18.687 1.00 0.00 C ATOM 1253 CG ASP A 79 15.871 -1.983 -18.497 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.102 -0.786 -18.484 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.725 -2.844 -18.371 1.00 0.00 O ATOM 0 H ASP A 79 14.474 -0.314 -17.334 1.00 0.00 H new ATOM 0 HA ASP A 79 12.561 -2.229 -17.605 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.396 -3.478 -18.991 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.958 -1.856 -19.487 1.00 0.00 H new ATOM 1260 N ASP A 80 15.139 -3.482 -15.933 1.00 0.00 N ATOM 1261 CA ASP A 80 15.516 -4.566 -15.029 1.00 0.00 C ATOM 1262 C ASP A 80 14.826 -4.390 -13.680 1.00 0.00 C ATOM 1263 O ASP A 80 14.496 -5.362 -13.002 1.00 0.00 O ATOM 1264 CB ASP A 80 17.030 -4.588 -14.816 1.00 0.00 C ATOM 1265 CG ASP A 80 17.687 -5.430 -15.904 1.00 0.00 C ATOM 1266 OD1 ASP A 80 17.430 -6.622 -15.939 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.438 -4.870 -16.686 1.00 0.00 O ATOM 0 H ASP A 80 15.874 -2.799 -16.114 1.00 0.00 H new ATOM 0 HA ASP A 80 15.204 -5.507 -15.481 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.426 -3.573 -14.839 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.263 -4.999 -13.834 1.00 0.00 H new ATOM 1272 N LEU A 81 14.617 -3.132 -13.301 1.00 0.00 N ATOM 1273 CA LEU A 81 13.973 -2.818 -12.031 1.00 0.00 C ATOM 1274 C LEU A 81 12.509 -3.267 -12.032 1.00 0.00 C ATOM 1275 O LEU A 81 11.964 -3.644 -10.996 1.00 0.00 O ATOM 1276 CB LEU A 81 14.042 -1.309 -11.769 1.00 0.00 C ATOM 1277 CG LEU A 81 14.414 -0.904 -10.342 1.00 0.00 C ATOM 1278 CD1 LEU A 81 15.921 -1.074 -10.138 1.00 0.00 C ATOM 1279 CD2 LEU A 81 14.033 0.561 -10.115 1.00 0.00 C ATOM 0 H LEU A 81 14.883 -2.317 -13.853 1.00 0.00 H new ATOM 0 HA LEU A 81 14.501 -3.353 -11.242 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.769 -0.872 -12.453 1.00 0.00 H new ATOM 0 HB3 LEU A 81 13.074 -0.871 -12.011 1.00 0.00 H new ATOM 0 HG LEU A 81 13.878 -1.536 -9.634 1.00 0.00 H new ATOM 0 HD11 LEU A 81 16.185 -0.785 -9.121 1.00 0.00 H new ATOM 0 HD12 LEU A 81 16.195 -2.116 -10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 81 16.458 -0.442 -10.846 1.00 0.00 H new ATOM 0 HD21 LEU A 81 14.297 0.852 -9.098 1.00 0.00 H new ATOM 0 HD22 LEU A 81 14.570 1.191 -10.824 1.00 0.00 H new ATOM 0 HD23 LEU A 81 12.960 0.685 -10.261 1.00 0.00 H new ATOM 1291 N VAL A 82 11.879 -3.213 -13.203 1.00 0.00 N ATOM 1292 CA VAL A 82 10.475 -3.606 -13.324 1.00 0.00 C ATOM 1293 C VAL A 82 10.276 -5.067 -12.913 1.00 0.00 C ATOM 1294 O VAL A 82 9.339 -5.398 -12.187 1.00 0.00 O ATOM 1295 CB VAL A 82 9.988 -3.426 -14.769 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.482 -3.697 -14.846 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.274 -1.993 -15.242 1.00 0.00 C ATOM 0 H VAL A 82 12.312 -2.905 -14.074 1.00 0.00 H new ATOM 0 HA VAL A 82 9.897 -2.965 -12.659 1.00 0.00 H new ATOM 0 HB VAL A 82 10.517 -4.130 -15.411 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.141 -3.568 -15.873 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.279 -4.718 -14.522 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.953 -2.998 -14.198 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.926 -1.872 -16.268 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.753 -1.286 -14.596 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.346 -1.802 -15.198 1.00 0.00 H new ATOM 1307 N ALA A 83 11.155 -5.936 -13.400 1.00 0.00 N ATOM 1308 CA ALA A 83 11.056 -7.362 -13.095 1.00 0.00 C ATOM 1309 C ALA A 83 11.247 -7.629 -11.603 1.00 0.00 C ATOM 1310 O ALA A 83 10.528 -8.431 -11.008 1.00 0.00 O ATOM 1311 CB ALA A 83 12.108 -8.149 -13.877 1.00 0.00 C ATOM 0 H ALA A 83 11.938 -5.683 -14.003 1.00 0.00 H new ATOM 0 HA ALA A 83 10.057 -7.687 -13.386 1.00 0.00 H new ATOM 0 HB1 ALA A 83 12.021 -9.209 -13.639 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.951 -8.003 -14.946 1.00 0.00 H new ATOM 0 HB3 ALA A 83 13.103 -7.796 -13.605 1.00 0.00 H new ATOM 1317 N LYS A 84 12.232 -6.964 -11.009 1.00 0.00 N ATOM 1318 CA LYS A 84 12.515 -7.157 -9.582 1.00 0.00 C ATOM 1319 C LYS A 84 11.505 -6.406 -8.728 1.00 0.00 C ATOM 1320 O LYS A 84 11.204 -6.808 -7.604 1.00 0.00 O ATOM 1321 CB LYS A 84 13.918 -6.654 -9.204 1.00 0.00 C ATOM 1322 CG LYS A 84 14.907 -6.904 -10.345 1.00 0.00 C ATOM 1323 CD LYS A 84 16.268 -7.313 -9.775 1.00 0.00 C ATOM 1324 CE LYS A 84 16.961 -8.274 -10.742 1.00 0.00 C ATOM 1325 NZ LYS A 84 18.307 -8.673 -10.240 1.00 0.00 N ATOM 0 H LYS A 84 12.842 -6.296 -11.480 1.00 0.00 H new ATOM 0 HA LYS A 84 12.452 -8.229 -9.396 1.00 0.00 H new ATOM 0 HB2 LYS A 84 13.879 -5.589 -8.977 1.00 0.00 H new ATOM 0 HB3 LYS A 84 14.261 -7.160 -8.302 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.528 -7.687 -11.002 1.00 0.00 H new ATOM 0 HG3 LYS A 84 15.012 -6.004 -10.950 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.888 -6.430 -9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.138 -7.789 -8.803 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.344 -9.162 -10.879 1.00 0.00 H new ATOM 0 HE3 LYS A 84 17.061 -7.801 -11.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.751 -9.325 -10.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.902 -7.827 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.208 -9.146 -9.319 1.00 0.00 H new ATOM 1339 N CYS A 85 11.003 -5.296 -9.257 1.00 0.00 N ATOM 1340 CA CYS A 85 10.050 -4.489 -8.510 1.00 0.00 C ATOM 1341 C CYS A 85 8.632 -5.038 -8.642 1.00 0.00 C ATOM 1342 O CYS A 85 7.966 -5.314 -7.644 1.00 0.00 O ATOM 1343 CB CYS A 85 10.073 -3.039 -8.997 1.00 0.00 C ATOM 1344 SG CYS A 85 11.605 -2.247 -8.448 1.00 0.00 S ATOM 0 H CYS A 85 11.236 -4.940 -10.184 1.00 0.00 H new ATOM 0 HA CYS A 85 10.346 -4.527 -7.462 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.003 -3.007 -10.084 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.211 -2.499 -8.607 1.00 0.00 H new ATOM 1349 N ALA A 86 8.169 -5.180 -9.881 1.00 0.00 N ATOM 1350 CA ALA A 86 6.820 -5.685 -10.122 1.00 0.00 C ATOM 1351 C ALA A 86 6.755 -7.197 -9.894 1.00 0.00 C ATOM 1352 O ALA A 86 6.498 -7.974 -10.817 1.00 0.00 O ATOM 1353 CB ALA A 86 6.377 -5.365 -11.551 1.00 0.00 C ATOM 0 H ALA A 86 8.699 -4.956 -10.723 1.00 0.00 H new ATOM 0 HA ALA A 86 6.148 -5.193 -9.418 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.370 -5.748 -11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.383 -4.285 -11.701 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.062 -5.833 -12.258 1.00 0.00 H new ATOM 1359 N VAL A 87 6.985 -7.606 -8.650 1.00 0.00 N ATOM 1360 CA VAL A 87 6.944 -9.026 -8.306 1.00 0.00 C ATOM 1361 C VAL A 87 5.532 -9.577 -8.490 1.00 0.00 C ATOM 1362 O VAL A 87 4.607 -9.203 -7.771 1.00 0.00 O ATOM 1363 CB VAL A 87 7.385 -9.246 -6.855 1.00 0.00 C ATOM 1364 CG1 VAL A 87 8.845 -8.816 -6.695 1.00 0.00 C ATOM 1365 CG2 VAL A 87 6.502 -8.420 -5.914 1.00 0.00 C ATOM 0 H VAL A 87 7.199 -6.984 -7.871 1.00 0.00 H new ATOM 0 HA VAL A 87 7.629 -9.552 -8.971 1.00 0.00 H new ATOM 0 HB VAL A 87 7.286 -10.302 -6.605 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.159 -8.972 -5.663 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.474 -9.409 -7.360 1.00 0.00 H new ATOM 0 HG13 VAL A 87 8.943 -7.760 -6.948 1.00 0.00 H new ATOM 0 HG21 VAL A 87 6.819 -8.580 -4.884 1.00 0.00 H new ATOM 0 HG22 VAL A 87 6.595 -7.363 -6.163 1.00 0.00 H new ATOM 0 HG23 VAL A 87 5.463 -8.729 -6.026 1.00 0.00 H new ATOM 1375 N LYS A 88 5.378 -10.470 -9.463 1.00 0.00 N ATOM 1376 CA LYS A 88 4.072 -11.067 -9.733 1.00 0.00 C ATOM 1377 C LYS A 88 3.632 -11.934 -8.557 1.00 0.00 C ATOM 1378 O LYS A 88 4.127 -13.044 -8.365 1.00 0.00 O ATOM 1379 CB LYS A 88 4.124 -11.928 -10.999 1.00 0.00 C ATOM 1380 CG LYS A 88 5.293 -12.922 -10.912 1.00 0.00 C ATOM 1381 CD LYS A 88 4.753 -14.355 -10.826 1.00 0.00 C ATOM 1382 CE LYS A 88 5.668 -15.296 -11.612 1.00 0.00 C ATOM 1383 NZ LYS A 88 6.715 -15.895 -10.735 1.00 0.00 N ATOM 0 H LYS A 88 6.130 -10.794 -10.071 1.00 0.00 H new ATOM 0 HA LYS A 88 3.356 -10.258 -9.878 1.00 0.00 H new ATOM 0 HB2 LYS A 88 3.185 -12.468 -11.120 1.00 0.00 H new ATOM 0 HB3 LYS A 88 4.241 -11.292 -11.876 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.936 -12.818 -11.786 1.00 0.00 H new ATOM 0 HG3 LYS A 88 5.905 -12.701 -10.038 1.00 0.00 H new ATOM 0 HD2 LYS A 88 4.697 -14.672 -9.784 1.00 0.00 H new ATOM 0 HD3 LYS A 88 3.740 -14.397 -11.227 1.00 0.00 H new ATOM 0 HE2 LYS A 88 5.074 -16.089 -12.065 1.00 0.00 H new ATOM 0 HE3 LYS A 88 6.143 -14.748 -12.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.319 -16.528 -11.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.297 -15.138 -10.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 6.261 -16.437 -9.973 1.00 0.00 H new ATOM 1397 N LYS A 89 2.694 -11.411 -7.771 1.00 0.00 N ATOM 1398 CA LYS A 89 2.192 -12.143 -6.611 1.00 0.00 C ATOM 1399 C LYS A 89 0.901 -12.879 -6.960 1.00 0.00 C ATOM 1400 O LYS A 89 0.451 -12.864 -8.106 1.00 0.00 O ATOM 1401 CB LYS A 89 1.927 -11.185 -5.449 1.00 0.00 C ATOM 1402 CG LYS A 89 3.237 -10.507 -5.042 1.00 0.00 C ATOM 1403 CD LYS A 89 2.966 -9.492 -3.928 1.00 0.00 C ATOM 1404 CE LYS A 89 4.294 -9.008 -3.334 1.00 0.00 C ATOM 1405 NZ LYS A 89 4.657 -7.656 -3.845 1.00 0.00 N ATOM 0 H LYS A 89 2.270 -10.494 -7.913 1.00 0.00 H new ATOM 0 HA LYS A 89 2.950 -12.868 -6.316 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.192 -10.435 -5.742 1.00 0.00 H new ATOM 0 HB3 LYS A 89 1.508 -11.729 -4.603 1.00 0.00 H new ATOM 0 HG2 LYS A 89 3.954 -11.254 -4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.682 -10.007 -5.902 1.00 0.00 H new ATOM 0 HD2 LYS A 89 2.404 -8.646 -4.323 1.00 0.00 H new ATOM 0 HD3 LYS A 89 2.353 -9.947 -3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.219 -8.980 -2.247 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.085 -9.716 -3.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 5.670 -7.483 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.457 -7.605 -4.864 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.098 -6.935 -3.346 1.00 0.00 H new ATOM 1419 N ASP A 90 0.316 -13.528 -5.957 1.00 0.00 N ATOM 1420 CA ASP A 90 -0.923 -14.276 -6.161 1.00 0.00 C ATOM 1421 C ASP A 90 -2.082 -13.331 -6.462 1.00 0.00 C ATOM 1422 O ASP A 90 -2.885 -13.578 -7.362 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.266 -15.103 -4.918 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.232 -14.211 -3.681 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -2.249 -13.607 -3.381 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -0.189 -14.145 -3.051 1.00 0.00 O ATOM 0 H ASP A 90 0.675 -13.552 -5.003 1.00 0.00 H new ATOM 0 HA ASP A 90 -0.770 -14.942 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.254 -15.550 -5.028 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.556 -15.922 -4.807 1.00 0.00 H new ATOM 1431 N THR A 91 -2.163 -12.245 -5.698 1.00 0.00 N ATOM 1432 CA THR A 91 -3.232 -11.271 -5.894 1.00 0.00 C ATOM 1433 C THR A 91 -2.736 -10.103 -6.751 1.00 0.00 C ATOM 1434 O THR A 91 -1.568 -9.721 -6.674 1.00 0.00 O ATOM 1435 CB THR A 91 -3.724 -10.735 -4.546 1.00 0.00 C ATOM 1436 OG1 THR A 91 -2.677 -10.826 -3.591 1.00 0.00 O ATOM 1437 CG2 THR A 91 -4.920 -11.565 -4.071 1.00 0.00 C ATOM 0 H THR A 91 -1.511 -12.019 -4.947 1.00 0.00 H new ATOM 0 HA THR A 91 -4.056 -11.770 -6.404 1.00 0.00 H new ATOM 0 HB THR A 91 -4.026 -9.694 -4.658 1.00 0.00 H new ATOM 0 HG1 THR A 91 -2.548 -11.763 -3.336 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.270 -11.183 -3.112 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.724 -11.497 -4.804 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.619 -12.606 -3.959 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.615 -9.522 -7.580 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.247 -8.394 -8.451 1.00 0.00 C ATOM 1447 C PRO A 92 -3.004 -7.110 -7.664 1.00 0.00 C ATOM 1448 O PRO A 92 -1.997 -6.429 -7.855 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.449 -8.236 -9.377 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.598 -8.811 -8.623 1.00 0.00 C ATOM 1451 CD PRO A 92 -5.034 -9.895 -7.749 1.00 0.00 C ATOM 0 HA PRO A 92 -2.314 -8.584 -8.982 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.623 -7.188 -9.622 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.293 -8.762 -10.319 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.090 -8.046 -8.023 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.348 -9.213 -9.305 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.550 -9.943 -6.790 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.135 -10.875 -8.215 1.00 0.00 H new ATOM 1459 N GLN A 93 -3.936 -6.793 -6.770 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.813 -5.590 -5.950 1.00 0.00 C ATOM 1461 C GLN A 93 -2.532 -5.630 -5.112 1.00 0.00 C ATOM 1462 O GLN A 93 -2.018 -4.592 -4.695 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.019 -5.447 -5.016 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.166 -6.708 -4.156 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.267 -7.599 -4.727 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -6.069 -8.800 -4.911 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.426 -7.077 -5.021 1.00 0.00 N ATOM 0 H GLN A 93 -4.776 -7.345 -6.595 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.774 -4.734 -6.624 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -4.893 -4.573 -4.377 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.925 -5.287 -5.600 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.222 -7.253 -4.129 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -5.405 -6.433 -3.129 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.591 -6.082 -4.869 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.168 -7.664 -5.403 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.021 -6.839 -4.871 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.800 -6.995 -4.085 1.00 0.00 C ATOM 1478 C HIS A 94 0.408 -6.486 -4.867 1.00 0.00 C ATOM 1479 O HIS A 94 1.119 -5.584 -4.425 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.577 -8.465 -3.727 1.00 0.00 C ATOM 1481 CG HIS A 94 0.385 -8.559 -2.575 1.00 0.00 C ATOM 1482 ND1 HIS A 94 1.340 -7.694 -2.104 1.00 0.00 N flip ATOM 1483 CD2 HIS A 94 0.432 -9.666 -1.741 1.00 0.00 C flip ATOM 1484 CE1 HIS A 94 1.973 -8.250 -0.997 1.00 0.00 C flip ATOM 1485 NE2 HIS A 94 1.388 -9.438 -0.821 1.00 0.00 N flip ATOM 0 H HIS A 94 -2.429 -7.712 -5.205 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.913 -6.412 -3.171 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.525 -8.934 -3.463 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.184 -9.005 -4.588 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.185 -10.549 -1.816 1.00 0.00 H new ATOM 0 HE1 HIS A 94 2.766 -7.815 -0.407 1.00 0.00 H new ATOM 0 HE2 HIS A 94 1.636 -10.093 -0.079 1.00 0.00 H new ATOM 1493 N SER A 95 0.634 -7.083 -6.041 1.00 0.00 N ATOM 1494 CA SER A 95 1.763 -6.697 -6.899 1.00 0.00 C ATOM 1495 C SER A 95 1.849 -5.179 -7.067 1.00 0.00 C ATOM 1496 O SER A 95 2.931 -4.620 -7.248 1.00 0.00 O ATOM 1497 CB SER A 95 1.624 -7.338 -8.280 1.00 0.00 C ATOM 1498 OG SER A 95 0.354 -7.005 -8.827 1.00 0.00 O ATOM 0 H SER A 95 0.054 -7.832 -6.419 1.00 0.00 H new ATOM 0 HA SER A 95 2.673 -7.049 -6.413 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.419 -6.988 -8.938 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.727 -8.420 -8.203 1.00 0.00 H new ATOM 0 HG SER A 95 -0.279 -6.827 -8.100 1.00 0.00 H new ATOM 1504 N SER A 96 0.694 -4.523 -7.006 1.00 0.00 N ATOM 1505 CA SER A 96 0.643 -3.071 -7.155 1.00 0.00 C ATOM 1506 C SER A 96 1.364 -2.383 -5.997 1.00 0.00 C ATOM 1507 O SER A 96 1.910 -1.290 -6.150 1.00 0.00 O ATOM 1508 CB SER A 96 -0.806 -2.587 -7.193 1.00 0.00 C ATOM 1509 OG SER A 96 -0.841 -1.243 -7.652 1.00 0.00 O ATOM 0 H SER A 96 -0.212 -4.968 -6.856 1.00 0.00 H new ATOM 0 HA SER A 96 1.138 -2.816 -8.092 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.397 -3.224 -7.852 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.250 -2.656 -6.200 1.00 0.00 H new ATOM 0 HG SER A 96 -0.010 -1.039 -8.130 1.00 0.00 H new ATOM 1515 N ALA A 97 1.357 -3.032 -4.834 1.00 0.00 N ATOM 1516 CA ALA A 97 2.010 -2.471 -3.650 1.00 0.00 C ATOM 1517 C ALA A 97 3.494 -2.226 -3.913 1.00 0.00 C ATOM 1518 O ALA A 97 3.950 -1.083 -3.949 1.00 0.00 O ATOM 1519 CB ALA A 97 1.865 -3.419 -2.458 1.00 0.00 C ATOM 0 H ALA A 97 0.912 -3.938 -4.685 1.00 0.00 H new ATOM 0 HA ALA A 97 1.524 -1.522 -3.423 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.356 -2.986 -1.587 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.808 -3.571 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 97 2.327 -4.377 -2.696 1.00 0.00 H new ATOM 1525 N ASP A 98 4.244 -3.312 -4.100 1.00 0.00 N ATOM 1526 CA ASP A 98 5.681 -3.204 -4.363 1.00 0.00 C ATOM 1527 C ASP A 98 5.945 -2.329 -5.588 1.00 0.00 C ATOM 1528 O ASP A 98 6.986 -1.682 -5.695 1.00 0.00 O ATOM 1529 CB ASP A 98 6.285 -4.589 -4.602 1.00 0.00 C ATOM 1530 CG ASP A 98 6.695 -5.204 -3.268 1.00 0.00 C ATOM 1531 OD1 ASP A 98 5.816 -5.454 -2.459 1.00 0.00 O ATOM 1532 OD2 ASP A 98 7.880 -5.414 -3.073 1.00 0.00 O ATOM 0 H ASP A 98 3.887 -4.267 -4.075 1.00 0.00 H new ATOM 0 HA ASP A 98 6.145 -2.747 -3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 98 5.561 -5.231 -5.103 1.00 0.00 H new ATOM 0 HB3 ASP A 98 7.151 -4.511 -5.260 1.00 0.00 H new ATOM 1537 N PHE A 99 4.985 -2.317 -6.507 1.00 0.00 N ATOM 1538 CA PHE A 99 5.110 -1.520 -7.723 1.00 0.00 C ATOM 1539 C PHE A 99 5.022 -0.024 -7.407 1.00 0.00 C ATOM 1540 O PHE A 99 5.529 0.809 -8.159 1.00 0.00 O ATOM 1541 CB PHE A 99 3.998 -1.897 -8.709 1.00 0.00 C ATOM 1542 CG PHE A 99 4.190 -1.155 -10.011 1.00 0.00 C ATOM 1543 CD1 PHE A 99 5.404 -1.253 -10.700 1.00 0.00 C ATOM 1544 CD2 PHE A 99 3.154 -0.367 -10.524 1.00 0.00 C ATOM 1545 CE1 PHE A 99 5.581 -0.561 -11.904 1.00 0.00 C ATOM 1546 CE2 PHE A 99 3.330 0.325 -11.727 1.00 0.00 C ATOM 1547 CZ PHE A 99 4.544 0.228 -12.417 1.00 0.00 C ATOM 0 H PHE A 99 4.116 -2.847 -6.434 1.00 0.00 H new ATOM 0 HA PHE A 99 6.083 -1.727 -8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 99 4.009 -2.972 -8.888 1.00 0.00 H new ATOM 0 HB3 PHE A 99 3.025 -1.655 -8.283 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.203 -1.862 -10.304 1.00 0.00 H new ATOM 0 HD2 PHE A 99 2.218 -0.293 -9.991 1.00 0.00 H new ATOM 0 HE1 PHE A 99 6.517 -0.636 -12.437 1.00 0.00 H new ATOM 0 HE2 PHE A 99 2.530 0.933 -12.123 1.00 0.00 H new ATOM 0 HZ PHE A 99 4.681 0.762 -13.346 1.00 0.00 H new ATOM 1557 N PHE A 100 4.363 0.314 -6.299 1.00 0.00 N ATOM 1558 CA PHE A 100 4.209 1.717 -5.921 1.00 0.00 C ATOM 1559 C PHE A 100 5.150 2.087 -4.776 1.00 0.00 C ATOM 1560 O PHE A 100 4.827 2.927 -3.937 1.00 0.00 O ATOM 1561 CB PHE A 100 2.768 1.995 -5.489 1.00 0.00 C ATOM 1562 CG PHE A 100 2.387 3.407 -5.866 1.00 0.00 C ATOM 1563 CD1 PHE A 100 2.280 3.767 -7.215 1.00 0.00 C ATOM 1564 CD2 PHE A 100 2.140 4.356 -4.866 1.00 0.00 C ATOM 1565 CE1 PHE A 100 1.927 5.075 -7.564 1.00 0.00 C ATOM 1566 CE2 PHE A 100 1.787 5.665 -5.216 1.00 0.00 C ATOM 1567 CZ PHE A 100 1.680 6.025 -6.565 1.00 0.00 C ATOM 0 H PHE A 100 3.934 -0.353 -5.657 1.00 0.00 H new ATOM 0 HA PHE A 100 4.458 2.322 -6.793 1.00 0.00 H new ATOM 0 HB2 PHE A 100 2.092 1.286 -5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 100 2.668 1.856 -4.413 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.470 3.035 -7.986 1.00 0.00 H new ATOM 0 HD2 PHE A 100 2.222 4.078 -3.826 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.845 5.352 -8.605 1.00 0.00 H new ATOM 0 HE2 PHE A 100 1.597 6.397 -4.445 1.00 0.00 H new ATOM 0 HZ PHE A 100 1.407 7.035 -6.835 1.00 0.00 H new ATOM 1577 N LYS A 101 6.324 1.463 -4.758 1.00 0.00 N ATOM 1578 CA LYS A 101 7.308 1.751 -3.717 1.00 0.00 C ATOM 1579 C LYS A 101 8.704 1.353 -4.183 1.00 0.00 C ATOM 1580 O LYS A 101 9.664 2.106 -4.020 1.00 0.00 O ATOM 1581 CB LYS A 101 6.973 1.009 -2.419 1.00 0.00 C ATOM 1582 CG LYS A 101 6.805 -0.485 -2.698 1.00 0.00 C ATOM 1583 CD LYS A 101 6.290 -1.183 -1.434 1.00 0.00 C ATOM 1584 CE LYS A 101 4.884 -0.678 -1.095 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.989 -1.799 -0.686 1.00 0.00 N ATOM 0 H LYS A 101 6.616 0.764 -5.441 1.00 0.00 H new ATOM 0 HA LYS A 101 7.281 2.823 -3.522 1.00 0.00 H new ATOM 0 HB2 LYS A 101 7.766 1.164 -1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 101 6.057 1.412 -1.986 1.00 0.00 H new ATOM 0 HG2 LYS A 101 6.106 -0.636 -3.521 1.00 0.00 H new ATOM 0 HG3 LYS A 101 7.757 -0.919 -3.004 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.271 -2.262 -1.586 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.966 -0.990 -0.601 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.943 0.055 -0.291 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.460 -0.168 -1.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.998 -1.531 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.218 -2.647 -1.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 4.126 -2.002 0.325 1.00 0.00 H new ATOM 1599 N CYS A 102 8.808 0.162 -4.776 1.00 0.00 N ATOM 1600 CA CYS A 102 10.096 -0.327 -5.278 1.00 0.00 C ATOM 1601 C CYS A 102 10.731 0.697 -6.220 1.00 0.00 C ATOM 1602 O CYS A 102 11.916 1.015 -6.111 1.00 0.00 O ATOM 1603 CB CYS A 102 9.906 -1.647 -6.031 1.00 0.00 C ATOM 1604 SG CYS A 102 11.523 -2.355 -6.434 1.00 0.00 S ATOM 0 H CYS A 102 8.026 -0.477 -4.920 1.00 0.00 H new ATOM 0 HA CYS A 102 10.753 -0.485 -4.422 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.334 -2.346 -5.421 1.00 0.00 H new ATOM 0 HB3 CYS A 102 9.334 -1.478 -6.943 1.00 0.00 H new ATOM 1609 N VAL A 103 9.920 1.209 -7.141 1.00 0.00 N ATOM 1610 CA VAL A 103 10.398 2.200 -8.102 1.00 0.00 C ATOM 1611 C VAL A 103 10.902 3.451 -7.382 1.00 0.00 C ATOM 1612 O VAL A 103 11.786 4.152 -7.875 1.00 0.00 O ATOM 1613 CB VAL A 103 9.274 2.590 -9.066 1.00 0.00 C ATOM 1614 CG1 VAL A 103 8.863 1.367 -9.888 1.00 0.00 C ATOM 1615 CG2 VAL A 103 8.067 3.100 -8.270 1.00 0.00 C ATOM 0 H VAL A 103 8.937 0.957 -7.243 1.00 0.00 H new ATOM 0 HA VAL A 103 11.220 1.756 -8.663 1.00 0.00 H new ATOM 0 HB VAL A 103 9.625 3.377 -9.733 1.00 0.00 H new ATOM 0 HG11 VAL A 103 8.063 1.643 -10.575 1.00 0.00 H new ATOM 0 HG12 VAL A 103 9.720 1.005 -10.456 1.00 0.00 H new ATOM 0 HG13 VAL A 103 8.513 0.580 -9.220 1.00 0.00 H new ATOM 0 HG21 VAL A 103 7.268 3.377 -8.958 1.00 0.00 H new ATOM 0 HG22 VAL A 103 7.714 2.315 -7.601 1.00 0.00 H new ATOM 0 HG23 VAL A 103 8.359 3.971 -7.684 1.00 0.00 H new ATOM 1625 N HIS A 104 10.328 3.724 -6.212 1.00 0.00 N ATOM 1626 CA HIS A 104 10.728 4.893 -5.433 1.00 0.00 C ATOM 1627 C HIS A 104 11.958 4.582 -4.585 1.00 0.00 C ATOM 1628 O HIS A 104 12.783 5.457 -4.320 1.00 0.00 O ATOM 1629 CB HIS A 104 9.589 5.337 -4.513 1.00 0.00 C ATOM 1630 CG HIS A 104 8.697 6.301 -5.245 1.00 0.00 C ATOM 1631 ND1 HIS A 104 7.618 5.880 -6.005 1.00 0.00 N ATOM 1632 CD2 HIS A 104 8.713 7.671 -5.345 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.034 6.975 -6.523 1.00 0.00 C ATOM 1634 NE2 HIS A 104 7.661 8.094 -6.151 1.00 0.00 N ATOM 0 H HIS A 104 9.593 3.159 -5.787 1.00 0.00 H new ATOM 0 HA HIS A 104 10.966 5.694 -6.133 1.00 0.00 H new ATOM 0 HB2 HIS A 104 9.014 4.471 -4.185 1.00 0.00 H new ATOM 0 HB3 HIS A 104 9.994 5.808 -3.618 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.433 8.321 -4.870 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.164 6.952 -7.162 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.420 9.052 -6.404 1.00 0.00 H new ATOM 1642 N ASP A 105 12.071 3.326 -4.160 1.00 0.00 N ATOM 1643 CA ASP A 105 13.206 2.909 -3.339 1.00 0.00 C ATOM 1644 C ASP A 105 14.380 2.485 -4.226 1.00 0.00 C ATOM 1645 O ASP A 105 14.881 1.363 -4.135 1.00 0.00 O ATOM 1646 CB ASP A 105 12.808 1.743 -2.430 1.00 0.00 C ATOM 1647 CG ASP A 105 13.724 1.713 -1.211 1.00 0.00 C ATOM 1648 OD1 ASP A 105 13.422 2.400 -0.250 1.00 0.00 O ATOM 1649 OD2 ASP A 105 14.715 1.003 -1.258 1.00 0.00 O ATOM 0 H ASP A 105 11.400 2.587 -4.367 1.00 0.00 H new ATOM 0 HA ASP A 105 13.509 3.756 -2.724 1.00 0.00 H new ATOM 0 HB2 ASP A 105 11.770 1.851 -2.116 1.00 0.00 H new ATOM 0 HB3 ASP A 105 12.880 0.802 -2.975 1.00 0.00 H new