USER MOD reduce.3.24.130724 H: found=0, std=0, add=687, rem=0, adj=12 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 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 23:sc= 0.0631 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot -161:sc= -0.945 USER MOD Single : A 21 SER OG : rot -62:sc= 0.994 USER MOD Single : A 24 SER OG : rot 180:sc=-0.00297 USER MOD Single : A 26 ASN : amide:sc= -1.48 K(o=-1.5,f=-2.1!) USER MOD Single : A 27 LYS NZ :NH3+ 176:sc= -0.419 (180deg=-0.435) USER MOD Single : A 30 ASN : amide:sc= 0 K(o=0,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 HIS : no HD1:sc= -0.012 K(o=-0.012,f=-0.96) 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= -0.467 K(o=-0.47,f=-1.4!) USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 123:sc= 1.11 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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+ -160:sc= -0.467 (180deg=-1.19) USER MOD Single : A 91 THR OG1 : rot -78:sc= 0.204 USER MOD Single : A 93 GLN : amide:sc= -0.29 X(o=-0.29,f=-0.09) USER MOD Single : A 95 SER OG : rot 82:sc= 0.913 USER MOD Single : A 96 SER OG : rot -50:sc= -2.69 USER MOD Single : A 101 LYS NZ :NH3+ -149:sc= 0.562 (180deg=-1.19) USER MOD Single : A 104 HIS : no HD1:sc= -0.087 X(o=-0.087,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 182 N SER A 11 -11.942 7.823 -7.858 1.00 0.00 N ATOM 183 CA SER A 11 -11.532 6.950 -6.761 1.00 0.00 C ATOM 184 C SER A 11 -12.665 6.775 -5.747 1.00 0.00 C ATOM 185 O SER A 11 -12.426 6.438 -4.587 1.00 0.00 O ATOM 186 CB SER A 11 -10.314 7.533 -6.046 1.00 0.00 C ATOM 187 OG SER A 11 -9.487 6.473 -5.586 1.00 0.00 O ATOM 0 HA SER A 11 -11.281 5.979 -7.187 1.00 0.00 H new ATOM 0 HB2 SER A 11 -9.755 8.178 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.632 8.152 -5.207 1.00 0.00 H new ATOM 0 HG SER A 11 -9.659 5.669 -6.119 1.00 0.00 H new ATOM 193 N ASP A 12 -13.904 7.003 -6.190 1.00 0.00 N ATOM 194 CA ASP A 12 -15.060 6.866 -5.303 1.00 0.00 C ATOM 195 C ASP A 12 -15.145 5.448 -4.741 1.00 0.00 C ATOM 196 O ASP A 12 -15.390 5.250 -3.551 1.00 0.00 O ATOM 197 CB ASP A 12 -16.355 7.183 -6.055 1.00 0.00 C ATOM 198 CG ASP A 12 -16.426 6.349 -7.330 1.00 0.00 C ATOM 199 OD1 ASP A 12 -15.527 6.470 -8.145 1.00 0.00 O ATOM 200 OD2 ASP A 12 -17.380 5.601 -7.473 1.00 0.00 O ATOM 0 H ASP A 12 -14.130 7.280 -7.145 1.00 0.00 H new ATOM 0 HA ASP A 12 -14.934 7.572 -4.482 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -17.216 6.971 -5.421 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -16.394 8.244 -6.300 1.00 0.00 H new ATOM 205 N ALA A 13 -14.939 4.465 -5.612 1.00 0.00 N ATOM 206 CA ALA A 13 -14.992 3.065 -5.197 1.00 0.00 C ATOM 207 C ALA A 13 -13.771 2.693 -4.354 1.00 0.00 C ATOM 208 O ALA A 13 -13.793 1.712 -3.612 1.00 0.00 O ATOM 209 CB ALA A 13 -15.048 2.148 -6.420 1.00 0.00 C ATOM 0 H ALA A 13 -14.735 4.608 -6.601 1.00 0.00 H new ATOM 0 HA ALA A 13 -15.892 2.935 -4.596 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -15.087 1.109 -6.094 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.937 2.378 -7.007 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -14.159 2.303 -7.032 1.00 0.00 H new ATOM 215 N CYS A 14 -12.702 3.479 -4.478 1.00 0.00 N ATOM 216 CA CYS A 14 -11.479 3.213 -3.722 1.00 0.00 C ATOM 217 C CYS A 14 -11.643 3.613 -2.254 1.00 0.00 C ATOM 218 O CYS A 14 -10.920 3.129 -1.384 1.00 0.00 O ATOM 219 CB CYS A 14 -10.296 3.985 -4.317 1.00 0.00 C ATOM 220 SG CYS A 14 -10.186 3.677 -6.101 1.00 0.00 S ATOM 0 H CYS A 14 -12.657 4.296 -5.087 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.285 2.142 -3.783 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -10.417 5.052 -4.131 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.370 3.680 -3.829 1.00 0.00 H new ATOM 225 N LYS A 15 -12.599 4.506 -1.984 1.00 0.00 N ATOM 226 CA LYS A 15 -12.838 4.957 -0.616 1.00 0.00 C ATOM 227 C LYS A 15 -13.601 3.903 0.194 1.00 0.00 C ATOM 228 O LYS A 15 -13.618 3.946 1.423 1.00 0.00 O ATOM 229 CB LYS A 15 -13.644 6.258 -0.617 1.00 0.00 C ATOM 230 CG LYS A 15 -13.335 7.052 0.654 1.00 0.00 C ATOM 231 CD LYS A 15 -13.888 8.472 0.517 1.00 0.00 C ATOM 232 CE LYS A 15 -12.967 9.294 -0.384 1.00 0.00 C ATOM 233 NZ LYS A 15 -11.880 9.948 0.399 1.00 0.00 N ATOM 0 H LYS A 15 -13.211 4.924 -2.685 1.00 0.00 H new ATOM 0 HA LYS A 15 -11.865 5.123 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -13.397 6.851 -1.498 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.710 6.038 -0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -13.778 6.560 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -12.259 7.084 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -14.893 8.443 0.097 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -13.966 8.940 1.499 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -12.530 8.648 -1.146 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -13.549 10.054 -0.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -11.273 10.498 -0.242 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -12.297 10.582 1.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -11.310 9.221 0.876 1.00 0.00 H new ATOM 247 N ALA A 16 -14.233 2.954 -0.503 1.00 0.00 N ATOM 248 CA ALA A 16 -14.989 1.899 0.174 1.00 0.00 C ATOM 249 C ALA A 16 -14.103 1.116 1.148 1.00 0.00 C ATOM 250 O ALA A 16 -14.601 0.469 2.070 1.00 0.00 O ATOM 251 CB ALA A 16 -15.578 0.927 -0.849 1.00 0.00 C ATOM 0 H ALA A 16 -14.236 2.895 -1.521 1.00 0.00 H new ATOM 0 HA ALA A 16 -15.791 2.380 0.734 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -16.137 0.148 -0.331 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -16.245 1.466 -1.521 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.772 0.473 -1.425 1.00 0.00 H new ATOM 257 N GLU A 17 -12.788 1.177 0.939 1.00 0.00 N ATOM 258 CA GLU A 17 -11.856 0.464 1.810 1.00 0.00 C ATOM 259 C GLU A 17 -10.482 1.127 1.781 1.00 0.00 C ATOM 260 O GLU A 17 -9.857 1.337 2.820 1.00 0.00 O ATOM 261 CB GLU A 17 -11.715 -0.994 1.367 1.00 0.00 C ATOM 262 CG GLU A 17 -10.892 -1.769 2.400 1.00 0.00 C ATOM 263 CD GLU A 17 -11.028 -3.266 2.141 1.00 0.00 C ATOM 264 OE1 GLU A 17 -10.746 -3.682 1.030 1.00 0.00 O ATOM 265 OE2 GLU A 17 -11.413 -3.973 3.057 1.00 0.00 O ATOM 0 H GLU A 17 -12.349 1.705 0.185 1.00 0.00 H new ATOM 0 HA GLU A 17 -12.254 0.498 2.824 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -12.700 -1.448 1.258 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.231 -1.043 0.391 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.845 -1.473 2.342 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -11.235 -1.531 3.407 1.00 0.00 H new ATOM 272 N SER A 18 -10.019 1.455 0.578 1.00 0.00 N ATOM 273 CA SER A 18 -8.717 2.093 0.427 1.00 0.00 C ATOM 274 C SER A 18 -8.791 3.555 0.866 1.00 0.00 C ATOM 275 O SER A 18 -8.670 4.476 0.055 1.00 0.00 O ATOM 276 CB SER A 18 -8.252 2.021 -1.029 1.00 0.00 C ATOM 277 OG SER A 18 -8.797 0.858 -1.638 1.00 0.00 O ATOM 0 H SER A 18 -10.519 1.292 -0.296 1.00 0.00 H new ATOM 0 HA SER A 18 -8.002 1.563 1.056 1.00 0.00 H new ATOM 0 HB2 SER A 18 -8.571 2.912 -1.569 1.00 0.00 H new ATOM 0 HB3 SER A 18 -7.163 1.993 -1.074 1.00 0.00 H new ATOM 0 HG SER A 18 -8.284 0.640 -2.444 1.00 0.00 H new ATOM 283 N GLY A 19 -8.994 3.754 2.165 1.00 0.00 N ATOM 284 CA GLY A 19 -9.085 5.100 2.717 1.00 0.00 C ATOM 285 C GLY A 19 -7.754 5.527 3.328 1.00 0.00 C ATOM 286 O GLY A 19 -7.715 6.242 4.328 1.00 0.00 O ATOM 0 H GLY A 19 -9.098 3.006 2.850 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.372 5.801 1.933 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -9.866 5.134 3.476 1.00 0.00 H new ATOM 290 N VAL A 20 -6.661 5.080 2.710 1.00 0.00 N ATOM 291 CA VAL A 20 -5.322 5.419 3.193 1.00 0.00 C ATOM 292 C VAL A 20 -5.138 6.942 3.268 1.00 0.00 C ATOM 293 O VAL A 20 -4.366 7.444 4.083 1.00 0.00 O ATOM 294 CB VAL A 20 -4.257 4.804 2.269 1.00 0.00 C ATOM 295 CG1 VAL A 20 -4.381 5.387 0.854 1.00 0.00 C ATOM 296 CG2 VAL A 20 -2.860 5.092 2.826 1.00 0.00 C ATOM 0 H VAL A 20 -6.675 4.487 1.880 1.00 0.00 H new ATOM 0 HA VAL A 20 -5.205 5.009 4.196 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.412 3.726 2.221 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.622 4.944 0.210 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.370 5.165 0.454 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -4.239 6.467 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -2.109 4.655 2.168 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -2.707 6.170 2.885 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.768 4.657 3.821 1.00 0.00 H new ATOM 306 N SER A 21 -5.858 7.659 2.406 1.00 0.00 N ATOM 307 CA SER A 21 -5.780 9.120 2.373 1.00 0.00 C ATOM 308 C SER A 21 -4.352 9.583 2.091 1.00 0.00 C ATOM 309 O SER A 21 -3.909 10.617 2.589 1.00 0.00 O ATOM 310 CB SER A 21 -6.263 9.719 3.700 1.00 0.00 C ATOM 311 OG SER A 21 -5.211 9.693 4.658 1.00 0.00 O ATOM 0 H SER A 21 -6.499 7.255 1.724 1.00 0.00 H new ATOM 0 HA SER A 21 -6.428 9.469 1.569 1.00 0.00 H new ATOM 0 HB2 SER A 21 -6.599 10.744 3.545 1.00 0.00 H new ATOM 0 HB3 SER A 21 -7.119 9.156 4.072 1.00 0.00 H new ATOM 0 HG SER A 21 -4.951 8.765 4.833 1.00 0.00 H new ATOM 317 N GLU A 22 -3.642 8.804 1.279 1.00 0.00 N ATOM 318 CA GLU A 22 -2.262 9.134 0.922 1.00 0.00 C ATOM 319 C GLU A 22 -1.390 9.305 2.167 1.00 0.00 C ATOM 320 O GLU A 22 -0.375 10.000 2.135 1.00 0.00 O ATOM 321 CB GLU A 22 -2.220 10.429 0.108 1.00 0.00 C ATOM 322 CG GLU A 22 -0.965 10.443 -0.767 1.00 0.00 C ATOM 323 CD GLU A 22 -1.009 11.647 -1.702 1.00 0.00 C ATOM 324 OE1 GLU A 22 -1.060 12.758 -1.201 1.00 0.00 O ATOM 325 OE2 GLU A 22 -0.991 11.440 -2.903 1.00 0.00 O ATOM 0 H GLU A 22 -3.995 7.945 0.857 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.872 8.307 0.328 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -3.111 10.508 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.220 11.291 0.776 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -0.073 10.487 -0.142 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -0.902 9.522 -1.346 1.00 0.00 H new ATOM 332 N GLU A 23 -1.792 8.666 3.263 1.00 0.00 N ATOM 333 CA GLU A 23 -1.032 8.760 4.506 1.00 0.00 C ATOM 334 C GLU A 23 0.202 7.867 4.439 1.00 0.00 C ATOM 335 O GLU A 23 1.324 8.317 4.666 1.00 0.00 O ATOM 336 CB GLU A 23 -1.894 8.336 5.697 1.00 0.00 C ATOM 337 CG GLU A 23 -1.490 9.142 6.932 1.00 0.00 C ATOM 338 CD GLU A 23 -2.461 8.850 8.071 1.00 0.00 C ATOM 339 OE1 GLU A 23 -2.357 7.783 8.653 1.00 0.00 O ATOM 340 OE2 GLU A 23 -3.297 9.697 8.344 1.00 0.00 O ATOM 0 H GLU A 23 -2.629 8.085 3.316 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.725 9.798 4.637 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -2.948 8.498 5.473 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.769 7.270 5.889 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -0.474 8.884 7.231 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.494 10.207 6.701 1.00 0.00 H new ATOM 347 N SER A 24 -0.020 6.596 4.117 1.00 0.00 N ATOM 348 CA SER A 24 1.083 5.646 4.016 1.00 0.00 C ATOM 349 C SER A 24 1.940 5.969 2.796 1.00 0.00 C ATOM 350 O SER A 24 3.160 5.809 2.815 1.00 0.00 O ATOM 351 CB SER A 24 0.553 4.218 3.892 1.00 0.00 C ATOM 352 OG SER A 24 -0.505 4.028 4.822 1.00 0.00 O ATOM 0 H SER A 24 -0.941 6.204 3.924 1.00 0.00 H new ATOM 0 HA SER A 24 1.686 5.726 4.921 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.198 4.036 2.878 1.00 0.00 H new ATOM 0 HB3 SER A 24 1.353 3.503 4.083 1.00 0.00 H new ATOM 0 HG SER A 24 -0.849 3.114 4.744 1.00 0.00 H new ATOM 358 N LEU A 25 1.282 6.431 1.735 1.00 0.00 N ATOM 359 CA LEU A 25 1.987 6.781 0.505 1.00 0.00 C ATOM 360 C LEU A 25 2.989 7.902 0.764 1.00 0.00 C ATOM 361 O LEU A 25 4.041 7.972 0.130 1.00 0.00 O ATOM 362 CB LEU A 25 0.996 7.236 -0.568 1.00 0.00 C ATOM 363 CG LEU A 25 0.260 6.113 -1.301 1.00 0.00 C ATOM 364 CD1 LEU A 25 -1.029 6.662 -1.916 1.00 0.00 C ATOM 365 CD2 LEU A 25 1.156 5.558 -2.410 1.00 0.00 C ATOM 0 H LEU A 25 0.272 6.571 1.702 1.00 0.00 H new ATOM 0 HA LEU A 25 2.517 5.894 0.157 1.00 0.00 H new ATOM 0 HB2 LEU A 25 0.257 7.888 -0.103 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.533 7.836 -1.303 1.00 0.00 H new ATOM 0 HG LEU A 25 0.016 5.318 -0.596 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -1.553 5.861 -2.438 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.668 7.060 -1.127 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -0.786 7.457 -2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 25 0.633 4.758 -2.934 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.399 6.354 -3.114 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.075 5.167 -1.974 1.00 0.00 H new ATOM 377 N ASN A 26 2.649 8.780 1.706 1.00 0.00 N ATOM 378 CA ASN A 26 3.526 9.898 2.047 1.00 0.00 C ATOM 379 C ASN A 26 4.875 9.385 2.542 1.00 0.00 C ATOM 380 O ASN A 26 5.930 9.886 2.152 1.00 0.00 O ATOM 381 CB ASN A 26 2.893 10.763 3.141 1.00 0.00 C ATOM 382 CG ASN A 26 2.044 11.856 2.502 1.00 0.00 C ATOM 383 OD1 ASN A 26 0.876 12.027 2.850 1.00 0.00 O ATOM 384 ND2 ASN A 26 2.567 12.618 1.581 1.00 0.00 N ATOM 0 H ASN A 26 1.782 8.740 2.242 1.00 0.00 H new ATOM 0 HA ASN A 26 3.670 10.497 1.148 1.00 0.00 H new ATOM 0 HB2 ASN A 26 2.277 10.146 3.795 1.00 0.00 H new ATOM 0 HB3 ASN A 26 3.670 11.209 3.762 1.00 0.00 H new ATOM 0 HD21 ASN A 26 2.008 13.354 1.150 1.00 0.00 H new ATOM 0 HD22 ASN A 26 3.535 12.477 1.292 1.00 0.00 H new ATOM 391 N LYS A 27 4.828 8.374 3.407 1.00 0.00 N ATOM 392 CA LYS A 27 6.050 7.792 3.952 1.00 0.00 C ATOM 393 C LYS A 27 6.826 7.062 2.860 1.00 0.00 C ATOM 394 O LYS A 27 8.056 7.020 2.874 1.00 0.00 O ATOM 395 CB LYS A 27 5.719 6.807 5.074 1.00 0.00 C ATOM 396 CG LYS A 27 5.299 7.581 6.325 1.00 0.00 C ATOM 397 CD LYS A 27 5.279 6.637 7.529 1.00 0.00 C ATOM 398 CE LYS A 27 3.866 6.087 7.727 1.00 0.00 C ATOM 399 NZ LYS A 27 3.681 4.793 7.010 1.00 0.00 N ATOM 0 H LYS A 27 3.965 7.945 3.742 1.00 0.00 H new ATOM 0 HA LYS A 27 6.661 8.602 4.350 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.917 6.139 4.761 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.586 6.184 5.293 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.991 8.403 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 27 4.313 8.021 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 27 5.980 5.817 7.373 1.00 0.00 H new ATOM 0 HD3 LYS A 27 5.603 7.167 8.425 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.674 5.946 8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.137 6.813 7.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.736 4.412 7.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 3.774 4.947 5.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.404 4.115 7.325 1.00 0.00 H new ATOM 413 N VAL A 28 6.091 6.488 1.910 1.00 0.00 N ATOM 414 CA VAL A 28 6.717 5.759 0.809 1.00 0.00 C ATOM 415 C VAL A 28 7.605 6.693 -0.016 1.00 0.00 C ATOM 416 O VAL A 28 8.563 6.254 -0.651 1.00 0.00 O ATOM 417 CB VAL A 28 5.650 5.139 -0.100 1.00 0.00 C ATOM 418 CG1 VAL A 28 6.320 4.279 -1.176 1.00 0.00 C ATOM 419 CG2 VAL A 28 4.715 4.259 0.738 1.00 0.00 C ATOM 0 H VAL A 28 5.072 6.513 1.880 1.00 0.00 H new ATOM 0 HA VAL A 28 7.330 4.965 1.236 1.00 0.00 H new ATOM 0 HB VAL A 28 5.079 5.936 -0.577 1.00 0.00 H new ATOM 0 HG11 VAL A 28 5.557 3.841 -1.819 1.00 0.00 H new ATOM 0 HG12 VAL A 28 6.987 4.900 -1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 28 6.894 3.484 -0.701 1.00 0.00 H new ATOM 0 HG21 VAL A 28 3.956 3.817 0.093 1.00 0.00 H new ATOM 0 HG22 VAL A 28 5.292 3.466 1.215 1.00 0.00 H new ATOM 0 HG23 VAL A 28 4.232 4.867 1.503 1.00 0.00 H new ATOM 429 N ARG A 29 7.280 7.988 -0.001 1.00 0.00 N ATOM 430 CA ARG A 29 8.060 8.974 -0.754 1.00 0.00 C ATOM 431 C ARG A 29 9.533 8.919 -0.354 1.00 0.00 C ATOM 432 O ARG A 29 10.422 9.180 -1.164 1.00 0.00 O ATOM 433 CB ARG A 29 7.527 10.385 -0.496 1.00 0.00 C ATOM 434 CG ARG A 29 6.125 10.519 -1.090 1.00 0.00 C ATOM 435 CD ARG A 29 6.230 10.952 -2.553 1.00 0.00 C ATOM 436 NE ARG A 29 4.954 11.482 -3.027 1.00 0.00 N ATOM 437 CZ ARG A 29 4.885 12.662 -3.636 1.00 0.00 C ATOM 438 NH1 ARG A 29 5.035 13.761 -2.949 1.00 0.00 N ATOM 439 NH2 ARG A 29 4.669 12.721 -4.922 1.00 0.00 N ATOM 0 H ARG A 29 6.492 8.375 0.518 1.00 0.00 H new ATOM 0 HA ARG A 29 7.966 8.735 -1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.500 10.584 0.575 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.194 11.124 -0.941 1.00 0.00 H new ATOM 0 HG2 ARG A 29 5.596 9.569 -1.018 1.00 0.00 H new ATOM 0 HG3 ARG A 29 5.547 11.250 -0.524 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.006 11.710 -2.658 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.528 10.103 -3.168 1.00 0.00 H new ATOM 0 HE ARG A 29 4.102 10.938 -2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.205 13.715 -1.944 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.982 14.666 -3.417 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.553 11.862 -5.460 1.00 0.00 H new ATOM 0 HH22 ARG A 29 4.616 13.626 -5.389 1.00 0.00 H new ATOM 453 N ASN A 30 9.778 8.571 0.906 1.00 0.00 N ATOM 454 CA ASN A 30 11.146 8.478 1.409 1.00 0.00 C ATOM 455 C ASN A 30 11.543 7.016 1.581 1.00 0.00 C ATOM 456 O ASN A 30 10.770 6.108 1.274 1.00 0.00 O ATOM 457 CB ASN A 30 11.272 9.193 2.756 1.00 0.00 C ATOM 458 CG ASN A 30 11.460 10.687 2.522 1.00 0.00 C ATOM 459 OD1 ASN A 30 10.851 11.262 1.620 1.00 0.00 O ATOM 460 ND2 ASN A 30 12.274 11.358 3.291 1.00 0.00 N ATOM 0 H ASN A 30 9.056 8.351 1.592 1.00 0.00 H new ATOM 0 HA ASN A 30 11.808 8.955 0.686 1.00 0.00 H new ATOM 0 HB2 ASN A 30 10.380 9.018 3.358 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.118 8.792 3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.405 12.359 3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.779 10.881 4.038 1.00 0.00 H new ATOM 467 N ARG A 31 12.757 6.796 2.075 1.00 0.00 N ATOM 468 CA ARG A 31 13.246 5.436 2.283 1.00 0.00 C ATOM 469 C ARG A 31 12.596 4.822 3.522 1.00 0.00 C ATOM 470 O ARG A 31 13.211 4.725 4.585 1.00 0.00 O ATOM 471 CB ARG A 31 14.768 5.431 2.455 1.00 0.00 C ATOM 472 CG ARG A 31 15.418 6.168 1.282 1.00 0.00 C ATOM 473 CD ARG A 31 16.768 5.524 0.961 1.00 0.00 C ATOM 474 NE ARG A 31 17.572 6.407 0.119 1.00 0.00 N ATOM 475 CZ ARG A 31 17.406 6.433 -1.201 1.00 0.00 C ATOM 476 NH1 ARG A 31 16.446 7.144 -1.724 1.00 0.00 N ATOM 477 NH2 ARG A 31 18.204 5.746 -1.972 1.00 0.00 N ATOM 0 H ARG A 31 13.414 7.531 2.336 1.00 0.00 H new ATOM 0 HA ARG A 31 12.984 4.845 1.406 1.00 0.00 H new ATOM 0 HB2 ARG A 31 15.040 5.911 3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 31 15.136 4.406 2.503 1.00 0.00 H new ATOM 0 HG2 ARG A 31 14.767 6.129 0.408 1.00 0.00 H new ATOM 0 HG3 ARG A 31 15.555 7.220 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 31 17.303 5.308 1.886 1.00 0.00 H new ATOM 0 HD3 ARG A 31 16.611 4.572 0.454 1.00 0.00 H new ATOM 0 HE ARG A 31 18.271 7.012 0.549 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.822 7.680 -1.121 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.319 7.164 -2.736 1.00 0.00 H new ATOM 0 HH21 ARG A 31 18.954 5.189 -1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 31 18.077 5.766 -2.984 1.00 0.00 H new ATOM 491 N GLU A 32 11.342 4.408 3.369 1.00 0.00 N ATOM 492 CA GLU A 32 10.607 3.804 4.477 1.00 0.00 C ATOM 493 C GLU A 32 9.631 2.753 3.956 1.00 0.00 C ATOM 494 O GLU A 32 8.529 3.075 3.514 1.00 0.00 O ATOM 495 CB GLU A 32 9.826 4.868 5.249 1.00 0.00 C ATOM 496 CG GLU A 32 10.775 5.634 6.171 1.00 0.00 C ATOM 497 CD GLU A 32 11.221 4.724 7.310 1.00 0.00 C ATOM 498 OE1 GLU A 32 10.371 4.314 8.082 1.00 0.00 O ATOM 499 OE2 GLU A 32 12.408 4.450 7.394 1.00 0.00 O ATOM 0 H GLU A 32 10.817 4.478 2.497 1.00 0.00 H new ATOM 0 HA GLU A 32 11.331 3.334 5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 32 9.344 5.556 4.554 1.00 0.00 H new ATOM 0 HB3 GLU A 32 9.034 4.400 5.834 1.00 0.00 H new ATOM 0 HG2 GLU A 32 11.642 5.983 5.610 1.00 0.00 H new ATOM 0 HG3 GLU A 32 10.277 6.517 6.571 1.00 0.00 H new ATOM 506 N GLU A 33 10.054 1.494 4.011 1.00 0.00 N ATOM 507 CA GLU A 33 9.214 0.396 3.540 1.00 0.00 C ATOM 508 C GLU A 33 7.962 0.271 4.403 1.00 0.00 C ATOM 509 O GLU A 33 8.043 0.095 5.620 1.00 0.00 O ATOM 510 CB GLU A 33 9.984 -0.924 3.585 1.00 0.00 C ATOM 511 CG GLU A 33 10.723 -1.128 2.260 1.00 0.00 C ATOM 512 CD GLU A 33 12.134 -0.563 2.372 1.00 0.00 C ATOM 513 OE1 GLU A 33 12.290 0.468 3.004 1.00 0.00 O ATOM 514 OE2 GLU A 33 13.039 -1.171 1.824 1.00 0.00 O ATOM 0 H GLU A 33 10.964 1.209 4.373 1.00 0.00 H new ATOM 0 HA GLU A 33 8.925 0.613 2.512 1.00 0.00 H new ATOM 0 HB2 GLU A 33 10.694 -0.915 4.412 1.00 0.00 H new ATOM 0 HB3 GLU A 33 9.298 -1.752 3.762 1.00 0.00 H new ATOM 0 HG2 GLU A 33 10.763 -2.189 2.014 1.00 0.00 H new ATOM 0 HG3 GLU A 33 10.185 -0.633 1.451 1.00 0.00 H new ATOM 521 N VAL A 34 6.803 0.360 3.757 1.00 0.00 N ATOM 522 CA VAL A 34 5.532 0.253 4.469 1.00 0.00 C ATOM 523 C VAL A 34 4.507 -0.481 3.609 1.00 0.00 C ATOM 524 O VAL A 34 4.264 -0.113 2.460 1.00 0.00 O ATOM 525 CB VAL A 34 4.990 1.643 4.816 1.00 0.00 C ATOM 526 CG1 VAL A 34 3.766 1.504 5.724 1.00 0.00 C ATOM 527 CG2 VAL A 34 6.071 2.447 5.543 1.00 0.00 C ATOM 0 H VAL A 34 6.717 0.505 2.751 1.00 0.00 H new ATOM 0 HA VAL A 34 5.705 -0.305 5.389 1.00 0.00 H new ATOM 0 HB VAL A 34 4.706 2.159 3.899 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.381 2.494 5.970 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.994 0.932 5.209 1.00 0.00 H new ATOM 0 HG13 VAL A 34 4.050 0.987 6.641 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.685 3.436 5.790 1.00 0.00 H new ATOM 0 HG22 VAL A 34 6.355 1.929 6.459 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.944 2.549 4.898 1.00 0.00 H new ATOM 537 N ASP A 35 3.910 -1.524 4.177 1.00 0.00 N ATOM 538 CA ASP A 35 2.913 -2.304 3.451 1.00 0.00 C ATOM 539 C ASP A 35 1.515 -1.722 3.669 1.00 0.00 C ATOM 540 O ASP A 35 0.982 -1.027 2.805 1.00 0.00 O ATOM 541 CB ASP A 35 2.934 -3.766 3.908 1.00 0.00 C ATOM 542 CG ASP A 35 4.137 -4.474 3.293 1.00 0.00 C ATOM 543 OD1 ASP A 35 5.250 -4.071 3.585 1.00 0.00 O ATOM 544 OD2 ASP A 35 3.926 -5.410 2.539 1.00 0.00 O ATOM 0 H ASP A 35 4.096 -1.846 5.127 1.00 0.00 H new ATOM 0 HA ASP A 35 3.158 -2.259 2.390 1.00 0.00 H new ATOM 0 HB2 ASP A 35 2.985 -3.817 4.996 1.00 0.00 H new ATOM 0 HB3 ASP A 35 2.012 -4.265 3.608 1.00 0.00 H new ATOM 549 N ASP A 36 0.932 -2.012 4.833 1.00 0.00 N ATOM 550 CA ASP A 36 -0.406 -1.514 5.159 1.00 0.00 C ATOM 551 C ASP A 36 -1.441 -2.066 4.173 1.00 0.00 C ATOM 552 O ASP A 36 -1.139 -2.282 2.999 1.00 0.00 O ATOM 553 CB ASP A 36 -0.439 0.016 5.117 1.00 0.00 C ATOM 554 CG ASP A 36 -0.119 0.571 6.502 1.00 0.00 C ATOM 555 OD1 ASP A 36 1.040 0.534 6.879 1.00 0.00 O ATOM 556 OD2 ASP A 36 -1.039 1.023 7.163 1.00 0.00 O ATOM 0 H ASP A 36 1.360 -2.584 5.561 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.650 -1.851 6.166 1.00 0.00 H new ATOM 0 HB2 ASP A 36 0.284 0.386 4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -1.421 0.360 4.794 1.00 0.00 H new ATOM 561 N PRO A 37 -2.676 -2.302 4.637 1.00 0.00 N ATOM 562 CA PRO A 37 -3.746 -2.830 3.779 1.00 0.00 C ATOM 563 C PRO A 37 -4.269 -1.793 2.785 1.00 0.00 C ATOM 564 O PRO A 37 -4.288 -2.026 1.578 1.00 0.00 O ATOM 565 CB PRO A 37 -4.840 -3.239 4.762 1.00 0.00 C ATOM 566 CG PRO A 37 -4.614 -2.401 5.972 1.00 0.00 C ATOM 567 CD PRO A 37 -3.146 -2.083 6.017 1.00 0.00 C ATOM 0 HA PRO A 37 -3.392 -3.655 3.160 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -5.831 -3.065 4.342 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.777 -4.301 5.001 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -5.206 -1.487 5.924 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -4.921 -2.933 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -2.973 -1.055 6.337 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -2.622 -2.729 6.722 1.00 0.00 H new ATOM 575 N LYS A 38 -4.694 -0.644 3.310 1.00 0.00 N ATOM 576 CA LYS A 38 -5.219 0.430 2.465 1.00 0.00 C ATOM 577 C LYS A 38 -4.210 0.824 1.385 1.00 0.00 C ATOM 578 O LYS A 38 -4.586 1.277 0.303 1.00 0.00 O ATOM 579 CB LYS A 38 -5.547 1.661 3.312 1.00 0.00 C ATOM 580 CG LYS A 38 -6.658 1.315 4.306 1.00 0.00 C ATOM 581 CD LYS A 38 -6.687 2.359 5.424 1.00 0.00 C ATOM 582 CE LYS A 38 -8.066 2.361 6.085 1.00 0.00 C ATOM 583 NZ LYS A 38 -8.225 1.210 7.018 1.00 0.00 N ATOM 0 H LYS A 38 -4.686 -0.433 4.308 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.125 0.059 1.986 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.658 1.996 3.846 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.862 2.484 2.670 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.621 1.286 3.796 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.490 0.323 4.725 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.918 2.137 6.164 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.464 3.346 5.020 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.209 3.295 6.629 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.839 2.318 5.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.171 1.241 7.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.113 0.319 6.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.502 1.265 7.764 1.00 0.00 H new ATOM 597 N LEU A 39 -2.927 0.651 1.691 1.00 0.00 N ATOM 598 CA LEU A 39 -1.875 0.994 0.738 1.00 0.00 C ATOM 599 C LEU A 39 -1.951 0.092 -0.492 1.00 0.00 C ATOM 600 O LEU A 39 -1.971 0.567 -1.628 1.00 0.00 O ATOM 601 CB LEU A 39 -0.495 0.851 1.389 1.00 0.00 C ATOM 602 CG LEU A 39 0.490 1.982 1.090 1.00 0.00 C ATOM 603 CD1 LEU A 39 1.705 1.858 2.012 1.00 0.00 C ATOM 604 CD2 LEU A 39 0.946 1.888 -0.367 1.00 0.00 C ATOM 0 H LEU A 39 -2.593 0.280 2.580 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.022 2.030 0.431 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -0.626 0.782 2.469 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.053 -0.090 1.061 1.00 0.00 H new ATOM 0 HG LEU A 39 0.002 2.942 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.407 2.664 1.799 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.382 1.924 3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.193 0.898 1.844 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.648 2.694 -0.581 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.434 0.928 -0.534 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.082 1.976 -1.025 1.00 0.00 H new ATOM 616 N LYS A 40 -1.997 -1.216 -0.252 1.00 0.00 N ATOM 617 CA LYS A 40 -2.074 -2.177 -1.349 1.00 0.00 C ATOM 618 C LYS A 40 -3.365 -1.977 -2.132 1.00 0.00 C ATOM 619 O LYS A 40 -3.372 -1.983 -3.363 1.00 0.00 O ATOM 620 CB LYS A 40 -2.032 -3.609 -0.813 1.00 0.00 C ATOM 621 CG LYS A 40 -0.792 -3.792 0.064 1.00 0.00 C ATOM 622 CD LYS A 40 -0.625 -5.275 0.410 1.00 0.00 C ATOM 623 CE LYS A 40 -0.061 -5.409 1.825 1.00 0.00 C ATOM 624 NZ LYS A 40 -0.314 -6.767 2.385 1.00 0.00 N ATOM 0 H LYS A 40 -1.983 -1.631 0.680 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.218 -2.013 -2.004 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.932 -3.819 -0.236 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.012 -4.318 -1.641 1.00 0.00 H new ATOM 0 HG2 LYS A 40 0.093 -3.428 -0.458 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -0.889 -3.203 0.976 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.585 -5.786 0.340 1.00 0.00 H new ATOM 0 HD3 LYS A 40 0.043 -5.753 -0.306 1.00 0.00 H new ATOM 0 HE2 LYS A 40 1.011 -5.214 1.811 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -0.514 -4.657 2.471 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 0.081 -6.826 3.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -1.338 -6.943 2.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 0.139 -7.482 1.780 1.00 0.00 H new ATOM 638 N GLU A 41 -4.461 -1.795 -1.401 1.00 0.00 N ATOM 639 CA GLU A 41 -5.760 -1.586 -2.031 1.00 0.00 C ATOM 640 C GLU A 41 -5.748 -0.300 -2.848 1.00 0.00 C ATOM 641 O GLU A 41 -5.986 -0.310 -4.057 1.00 0.00 O ATOM 642 CB GLU A 41 -6.859 -1.491 -0.970 1.00 0.00 C ATOM 643 CG GLU A 41 -7.094 -2.870 -0.349 1.00 0.00 C ATOM 644 CD GLU A 41 -7.900 -3.732 -1.315 1.00 0.00 C ATOM 645 OE1 GLU A 41 -8.994 -3.326 -1.668 1.00 0.00 O ATOM 646 OE2 GLU A 41 -7.412 -4.786 -1.686 1.00 0.00 O ATOM 0 H GLU A 41 -4.476 -1.788 -0.381 1.00 0.00 H new ATOM 0 HA GLU A 41 -5.960 -2.434 -2.686 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -6.572 -0.777 -0.198 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -7.781 -1.121 -1.419 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -6.140 -3.348 -0.127 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -7.627 -2.769 0.596 1.00 0.00 H new ATOM 653 N HIS A 42 -5.467 0.813 -2.170 1.00 0.00 N ATOM 654 CA HIS A 42 -5.421 2.123 -2.827 1.00 0.00 C ATOM 655 C HIS A 42 -4.507 2.099 -4.050 1.00 0.00 C ATOM 656 O HIS A 42 -4.886 2.541 -5.134 1.00 0.00 O ATOM 657 CB HIS A 42 -4.913 3.188 -1.853 1.00 0.00 C ATOM 658 CG HIS A 42 -5.311 4.551 -2.348 1.00 0.00 C ATOM 659 ND1 HIS A 42 -4.375 5.518 -2.679 1.00 0.00 N ATOM 660 CD2 HIS A 42 -6.538 5.123 -2.571 1.00 0.00 C ATOM 661 CE1 HIS A 42 -5.049 6.612 -3.081 1.00 0.00 C ATOM 662 NE2 HIS A 42 -6.371 6.424 -3.035 1.00 0.00 N ATOM 0 H HIS A 42 -5.268 0.836 -1.170 1.00 0.00 H new ATOM 0 HA HIS A 42 -6.435 2.363 -3.147 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -5.327 3.015 -0.860 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -3.829 3.125 -1.762 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -7.489 4.637 -2.411 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -4.578 7.530 -3.402 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -7.101 7.091 -3.286 1.00 0.00 H new ATOM 670 N ALA A 43 -3.293 1.578 -3.863 1.00 0.00 N ATOM 671 CA ALA A 43 -2.319 1.500 -4.957 1.00 0.00 C ATOM 672 C ALA A 43 -2.923 0.812 -6.182 1.00 0.00 C ATOM 673 O ALA A 43 -2.876 1.341 -7.292 1.00 0.00 O ATOM 674 CB ALA A 43 -1.078 0.723 -4.512 1.00 0.00 C ATOM 0 H ALA A 43 -2.961 1.206 -2.973 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.039 2.520 -5.223 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.365 0.674 -5.335 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.618 1.228 -3.663 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.366 -0.287 -4.221 1.00 0.00 H new ATOM 680 N PHE A 44 -3.499 -0.370 -5.965 1.00 0.00 N ATOM 681 CA PHE A 44 -4.123 -1.120 -7.057 1.00 0.00 C ATOM 682 C PHE A 44 -5.194 -0.270 -7.742 1.00 0.00 C ATOM 683 O PHE A 44 -5.431 -0.391 -8.944 1.00 0.00 O ATOM 684 CB PHE A 44 -4.754 -2.414 -6.526 1.00 0.00 C ATOM 685 CG PHE A 44 -5.313 -3.230 -7.674 1.00 0.00 C ATOM 686 CD1 PHE A 44 -4.514 -3.518 -8.789 1.00 0.00 C ATOM 687 CD2 PHE A 44 -6.630 -3.701 -7.619 1.00 0.00 C ATOM 688 CE1 PHE A 44 -5.034 -4.274 -9.846 1.00 0.00 C ATOM 689 CE2 PHE A 44 -7.149 -4.458 -8.676 1.00 0.00 C ATOM 690 CZ PHE A 44 -6.350 -4.745 -9.790 1.00 0.00 C ATOM 0 H PHE A 44 -3.547 -0.826 -5.054 1.00 0.00 H new ATOM 0 HA PHE A 44 -3.350 -1.373 -7.783 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -4.008 -2.996 -5.985 1.00 0.00 H new ATOM 0 HB3 PHE A 44 -5.548 -2.177 -5.818 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -3.497 -3.157 -8.833 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -7.246 -3.480 -6.760 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -4.419 -4.494 -10.706 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -8.165 -4.821 -8.632 1.00 0.00 H new ATOM 0 HZ PHE A 44 -6.750 -5.330 -10.605 1.00 0.00 H new ATOM 700 N CYS A 45 -5.828 0.597 -6.960 1.00 0.00 N ATOM 701 CA CYS A 45 -6.863 1.475 -7.493 1.00 0.00 C ATOM 702 C CYS A 45 -6.256 2.450 -8.506 1.00 0.00 C ATOM 703 O CYS A 45 -6.935 2.916 -9.421 1.00 0.00 O ATOM 704 CB CYS A 45 -7.523 2.268 -6.350 1.00 0.00 C ATOM 705 SG CYS A 45 -9.289 1.873 -6.244 1.00 0.00 S ATOM 0 H CYS A 45 -5.645 0.710 -5.963 1.00 0.00 H new ATOM 0 HA CYS A 45 -7.617 0.864 -7.990 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.034 2.032 -5.405 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -7.392 3.337 -6.518 1.00 0.00 H new ATOM 710 N ILE A 46 -4.971 2.759 -8.327 1.00 0.00 N ATOM 711 CA ILE A 46 -4.287 3.688 -9.228 1.00 0.00 C ATOM 712 C ILE A 46 -3.638 2.929 -10.382 1.00 0.00 C ATOM 713 O ILE A 46 -3.556 3.430 -11.502 1.00 0.00 O ATOM 714 CB ILE A 46 -3.194 4.487 -8.492 1.00 0.00 C ATOM 715 CG1 ILE A 46 -3.622 4.814 -7.048 1.00 0.00 C ATOM 716 CG2 ILE A 46 -2.932 5.793 -9.244 1.00 0.00 C ATOM 717 CD1 ILE A 46 -4.953 5.573 -7.047 1.00 0.00 C ATOM 0 H ILE A 46 -4.389 2.386 -7.577 1.00 0.00 H new ATOM 0 HA ILE A 46 -5.039 4.380 -9.608 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.289 3.880 -8.456 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.720 3.893 -6.473 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.853 5.414 -6.561 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -2.159 6.362 -8.727 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -2.600 5.569 -10.258 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -3.849 6.380 -9.284 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.243 5.797 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.842 6.503 -7.604 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.722 4.959 -7.516 1.00 0.00 H new ATOM 729 N LEU A 47 -3.171 1.716 -10.095 1.00 0.00 N ATOM 730 CA LEU A 47 -2.523 0.894 -11.118 1.00 0.00 C ATOM 731 C LEU A 47 -3.479 0.627 -12.281 1.00 0.00 C ATOM 732 O LEU A 47 -3.096 0.702 -13.448 1.00 0.00 O ATOM 733 CB LEU A 47 -2.057 -0.441 -10.515 1.00 0.00 C ATOM 734 CG LEU A 47 -0.566 -0.526 -10.163 1.00 0.00 C ATOM 735 CD1 LEU A 47 0.260 -0.548 -11.449 1.00 0.00 C ATOM 736 CD2 LEU A 47 -0.162 0.686 -9.318 1.00 0.00 C ATOM 0 H LEU A 47 -3.227 1.283 -9.173 1.00 0.00 H new ATOM 0 HA LEU A 47 -1.657 1.439 -11.492 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.636 -0.633 -9.612 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.291 -1.239 -11.220 1.00 0.00 H new ATOM 0 HG LEU A 47 -0.382 -1.438 -9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.319 -0.608 -11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.022 -1.414 -12.048 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.072 0.363 -12.018 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.898 0.620 -9.071 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.347 1.600 -9.881 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -0.748 0.701 -8.399 1.00 0.00 H new ATOM 748 N LYS A 48 -4.728 0.312 -11.947 1.00 0.00 N ATOM 749 CA LYS A 48 -5.734 0.033 -12.971 1.00 0.00 C ATOM 750 C LYS A 48 -6.024 1.286 -13.796 1.00 0.00 C ATOM 751 O LYS A 48 -5.886 1.286 -15.019 1.00 0.00 O ATOM 752 CB LYS A 48 -7.036 -0.458 -12.322 1.00 0.00 C ATOM 753 CG LYS A 48 -7.131 -1.983 -12.434 1.00 0.00 C ATOM 754 CD LYS A 48 -8.602 -2.406 -12.423 1.00 0.00 C ATOM 755 CE LYS A 48 -9.045 -2.674 -10.984 1.00 0.00 C ATOM 756 NZ LYS A 48 -10.476 -3.088 -10.924 1.00 0.00 N ATOM 0 H LYS A 48 -5.066 0.244 -10.987 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.341 -0.744 -13.627 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -7.066 -0.159 -11.274 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.893 0.005 -12.810 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -6.651 -2.321 -13.353 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.600 -2.453 -11.606 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.220 -1.624 -12.865 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.739 -3.301 -13.030 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.420 -3.454 -10.549 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.899 -1.776 -10.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.746 -3.262 -9.935 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.073 -2.333 -11.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.609 -3.958 -11.478 1.00 0.00 H new ATOM 770 N ARG A 49 -6.436 2.349 -13.112 1.00 0.00 N ATOM 771 CA ARG A 49 -6.753 3.605 -13.789 1.00 0.00 C ATOM 772 C ARG A 49 -5.520 4.172 -14.488 1.00 0.00 C ATOM 773 O ARG A 49 -5.625 4.837 -15.518 1.00 0.00 O ATOM 774 CB ARG A 49 -7.279 4.635 -12.787 1.00 0.00 C ATOM 775 CG ARG A 49 -8.802 4.520 -12.687 1.00 0.00 C ATOM 776 CD ARG A 49 -9.174 3.477 -11.630 1.00 0.00 C ATOM 777 NE ARG A 49 -9.528 4.124 -10.370 1.00 0.00 N ATOM 778 CZ ARG A 49 -10.313 3.516 -9.484 1.00 0.00 C ATOM 779 NH1 ARG A 49 -10.130 2.253 -9.209 1.00 0.00 N ATOM 780 NH2 ARG A 49 -11.265 4.181 -8.890 1.00 0.00 N ATOM 0 H ARG A 49 -6.558 2.368 -12.099 1.00 0.00 H new ATOM 0 HA ARG A 49 -7.521 3.396 -14.534 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.826 4.471 -11.809 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -7.000 5.640 -13.102 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -9.233 5.486 -12.425 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -9.219 4.237 -13.653 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -10.012 2.876 -11.984 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -8.337 2.797 -11.473 1.00 0.00 H new ATOM 0 HE ARG A 49 -9.168 5.056 -10.166 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.386 1.733 -9.673 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.731 1.787 -8.530 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -11.408 5.168 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.866 3.714 -8.211 1.00 0.00 H new ATOM 794 N ALA A 50 -4.350 3.905 -13.916 1.00 0.00 N ATOM 795 CA ALA A 50 -3.098 4.396 -14.490 1.00 0.00 C ATOM 796 C ALA A 50 -2.905 3.856 -15.906 1.00 0.00 C ATOM 797 O ALA A 50 -2.304 4.510 -16.757 1.00 0.00 O ATOM 798 CB ALA A 50 -1.909 3.967 -13.630 1.00 0.00 C ATOM 0 H ALA A 50 -4.241 3.356 -13.063 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.152 5.484 -14.522 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.986 4.341 -14.073 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.021 4.374 -12.625 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.871 2.879 -13.578 1.00 0.00 H new ATOM 804 N GLY A 51 -3.422 2.654 -16.145 1.00 0.00 N ATOM 805 CA GLY A 51 -3.301 2.032 -17.458 1.00 0.00 C ATOM 806 C GLY A 51 -2.090 1.105 -17.509 1.00 0.00 C ATOM 807 O GLY A 51 -1.469 0.929 -18.557 1.00 0.00 O ATOM 0 H GLY A 51 -3.924 2.097 -15.454 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -4.206 1.468 -17.683 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.207 2.803 -18.223 1.00 0.00 H new ATOM 811 N PHE A 52 -1.764 0.512 -16.364 1.00 0.00 N ATOM 812 CA PHE A 52 -0.627 -0.400 -16.285 1.00 0.00 C ATOM 813 C PHE A 52 -1.116 -1.846 -16.216 1.00 0.00 C ATOM 814 O PHE A 52 -1.078 -2.576 -17.206 1.00 0.00 O ATOM 815 CB PHE A 52 0.225 -0.090 -15.051 1.00 0.00 C ATOM 816 CG PHE A 52 1.109 1.102 -15.334 1.00 0.00 C ATOM 817 CD1 PHE A 52 1.966 1.092 -16.441 1.00 0.00 C ATOM 818 CD2 PHE A 52 1.071 2.217 -14.488 1.00 0.00 C ATOM 819 CE1 PHE A 52 2.785 2.197 -16.702 1.00 0.00 C ATOM 820 CE2 PHE A 52 1.890 3.322 -14.750 1.00 0.00 C ATOM 821 CZ PHE A 52 2.747 3.312 -15.856 1.00 0.00 C ATOM 0 H PHE A 52 -2.266 0.645 -15.486 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.018 -0.266 -17.179 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.418 0.116 -14.195 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.835 -0.955 -14.791 1.00 0.00 H new ATOM 0 HD1 PHE A 52 1.995 0.232 -17.094 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.410 2.225 -13.634 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.446 2.189 -17.556 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.860 4.183 -14.098 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.379 4.164 -16.057 1.00 0.00 H new ATOM 831 N ILE A 53 -1.584 -2.249 -15.036 1.00 0.00 N ATOM 832 CA ILE A 53 -2.087 -3.605 -14.845 1.00 0.00 C ATOM 833 C ILE A 53 -3.388 -3.793 -15.629 1.00 0.00 C ATOM 834 O ILE A 53 -4.043 -2.822 -16.007 1.00 0.00 O ATOM 835 CB ILE A 53 -2.324 -3.870 -13.348 1.00 0.00 C ATOM 836 CG1 ILE A 53 -2.777 -5.317 -13.138 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.393 -2.917 -12.805 1.00 0.00 C ATOM 838 CD1 ILE A 53 -2.486 -5.737 -11.696 1.00 0.00 C ATOM 0 H ILE A 53 -1.625 -1.660 -14.204 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.348 -4.316 -15.215 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.390 -3.702 -12.813 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.843 -5.410 -13.347 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.257 -5.977 -13.832 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -3.552 -3.114 -11.745 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.063 -1.887 -12.937 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -4.326 -3.071 -13.346 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -2.808 -6.767 -11.545 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -1.416 -5.659 -11.503 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -3.026 -5.084 -11.011 1.00 0.00 H new ATOM 850 N ASP A 54 -3.750 -5.048 -15.876 1.00 0.00 N ATOM 851 CA ASP A 54 -4.974 -5.338 -16.623 1.00 0.00 C ATOM 852 C ASP A 54 -6.158 -5.510 -15.676 1.00 0.00 C ATOM 853 O ASP A 54 -6.003 -5.921 -14.526 1.00 0.00 O ATOM 854 CB ASP A 54 -4.811 -6.608 -17.464 1.00 0.00 C ATOM 855 CG ASP A 54 -4.312 -7.749 -16.586 1.00 0.00 C ATOM 856 OD1 ASP A 54 -3.142 -7.736 -16.243 1.00 0.00 O ATOM 857 OD2 ASP A 54 -5.106 -8.620 -16.271 1.00 0.00 O ATOM 0 H ASP A 54 -3.225 -5.870 -15.577 1.00 0.00 H new ATOM 0 HA ASP A 54 -5.164 -4.493 -17.285 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -5.764 -6.878 -17.920 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -4.108 -6.429 -18.277 1.00 0.00 H new ATOM 862 N ALA A 55 -7.347 -5.186 -16.183 1.00 0.00 N ATOM 863 CA ALA A 55 -8.580 -5.291 -15.396 1.00 0.00 C ATOM 864 C ALA A 55 -8.734 -6.674 -14.755 1.00 0.00 C ATOM 865 O ALA A 55 -9.443 -6.830 -13.760 1.00 0.00 O ATOM 866 CB ALA A 55 -9.798 -5.024 -16.282 1.00 0.00 C ATOM 0 H ALA A 55 -7.485 -4.848 -17.136 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.516 -4.545 -14.604 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.707 -5.105 -15.685 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.729 -4.021 -16.703 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.828 -5.755 -17.090 1.00 0.00 H new ATOM 872 N SER A 56 -8.078 -7.678 -15.333 1.00 0.00 N ATOM 873 CA SER A 56 -8.173 -9.036 -14.803 1.00 0.00 C ATOM 874 C SER A 56 -7.098 -9.287 -13.746 1.00 0.00 C ATOM 875 O SER A 56 -7.267 -10.128 -12.864 1.00 0.00 O ATOM 876 CB SER A 56 -8.011 -10.060 -15.925 1.00 0.00 C ATOM 877 OG SER A 56 -9.163 -10.030 -16.758 1.00 0.00 O ATOM 0 H SER A 56 -7.483 -7.580 -16.156 1.00 0.00 H new ATOM 0 HA SER A 56 -9.157 -9.143 -14.347 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.119 -9.837 -16.510 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.877 -11.057 -15.506 1.00 0.00 H new ATOM 0 HG SER A 56 -9.062 -10.685 -17.480 1.00 0.00 H new ATOM 883 N GLY A 57 -5.994 -8.549 -13.838 1.00 0.00 N ATOM 884 CA GLY A 57 -4.911 -8.707 -12.876 1.00 0.00 C ATOM 885 C GLY A 57 -3.819 -9.618 -13.426 1.00 0.00 C ATOM 886 O GLY A 57 -3.901 -10.842 -13.321 1.00 0.00 O ATOM 0 H GLY A 57 -5.828 -7.846 -14.558 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -4.488 -7.731 -12.635 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -5.303 -9.123 -11.947 1.00 0.00 H new ATOM 890 N GLU A 58 -2.797 -9.006 -14.015 1.00 0.00 N ATOM 891 CA GLU A 58 -1.688 -9.768 -14.582 1.00 0.00 C ATOM 892 C GLU A 58 -0.450 -8.883 -14.725 1.00 0.00 C ATOM 893 O GLU A 58 0.278 -8.981 -15.709 1.00 0.00 O ATOM 894 CB GLU A 58 -2.073 -10.327 -15.955 1.00 0.00 C ATOM 895 CG GLU A 58 -1.334 -11.644 -16.196 1.00 0.00 C ATOM 896 CD GLU A 58 -1.725 -12.207 -17.558 1.00 0.00 C ATOM 897 OE1 GLU A 58 -2.763 -12.841 -17.639 1.00 0.00 O ATOM 898 OE2 GLU A 58 -0.979 -11.995 -18.500 1.00 0.00 O ATOM 0 H GLU A 58 -2.713 -7.994 -14.112 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.463 -10.594 -13.907 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.150 -10.488 -16.005 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.821 -9.609 -16.735 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.257 -11.482 -16.154 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -1.579 -12.360 -15.411 1.00 0.00 H new ATOM 905 N PHE A 59 -0.230 -8.037 -13.707 1.00 0.00 N ATOM 906 CA PHE A 59 0.911 -7.097 -13.638 1.00 0.00 C ATOM 907 C PHE A 59 1.041 -6.199 -14.880 1.00 0.00 C ATOM 908 O PHE A 59 0.920 -4.979 -14.776 1.00 0.00 O ATOM 909 CB PHE A 59 2.262 -7.792 -13.351 1.00 0.00 C ATOM 910 CG PHE A 59 2.319 -9.207 -13.891 1.00 0.00 C ATOM 911 CD1 PHE A 59 1.783 -10.261 -13.140 1.00 0.00 C ATOM 912 CD2 PHE A 59 2.915 -9.464 -15.131 1.00 0.00 C ATOM 913 CE1 PHE A 59 1.840 -11.569 -13.631 1.00 0.00 C ATOM 914 CE2 PHE A 59 2.971 -10.774 -15.623 1.00 0.00 C ATOM 915 CZ PHE A 59 2.434 -11.826 -14.872 1.00 0.00 C ATOM 0 H PHE A 59 -0.845 -7.982 -12.895 1.00 0.00 H new ATOM 0 HA PHE A 59 0.672 -6.459 -12.787 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.068 -7.206 -13.793 1.00 0.00 H new ATOM 0 HB3 PHE A 59 2.435 -7.811 -12.275 1.00 0.00 H new ATOM 0 HD1 PHE A 59 1.326 -10.063 -12.182 1.00 0.00 H new ATOM 0 HD2 PHE A 59 3.332 -8.652 -15.708 1.00 0.00 H new ATOM 0 HE1 PHE A 59 1.426 -12.381 -13.052 1.00 0.00 H new ATOM 0 HE2 PHE A 59 3.428 -10.972 -16.581 1.00 0.00 H new ATOM 0 HZ PHE A 59 2.478 -12.837 -15.250 1.00 0.00 H new ATOM 925 N GLN A 60 1.299 -6.792 -16.041 1.00 0.00 N ATOM 926 CA GLN A 60 1.453 -6.019 -17.276 1.00 0.00 C ATOM 927 C GLN A 60 2.686 -5.125 -17.183 1.00 0.00 C ATOM 928 O GLN A 60 2.586 -3.905 -17.037 1.00 0.00 O ATOM 929 CB GLN A 60 0.214 -5.156 -17.545 1.00 0.00 C ATOM 930 CG GLN A 60 -1.034 -6.040 -17.553 1.00 0.00 C ATOM 931 CD GLN A 60 -1.257 -6.592 -18.957 1.00 0.00 C ATOM 932 OE1 GLN A 60 -1.022 -5.901 -19.947 1.00 0.00 O ATOM 933 NE2 GLN A 60 -1.703 -7.810 -19.103 1.00 0.00 N ATOM 0 H GLN A 60 1.406 -7.800 -16.156 1.00 0.00 H new ATOM 0 HA GLN A 60 1.572 -6.722 -18.101 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.122 -4.386 -16.779 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.316 -4.644 -18.502 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -0.917 -6.859 -16.843 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -1.903 -5.464 -17.235 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.898 -8.383 -18.282 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.856 -8.188 -20.038 1.00 0.00 H new ATOM 942 N LEU A 61 3.854 -5.754 -17.259 1.00 0.00 N ATOM 943 CA LEU A 61 5.117 -5.025 -17.175 1.00 0.00 C ATOM 944 C LEU A 61 5.435 -4.322 -18.490 1.00 0.00 C ATOM 945 O LEU A 61 6.098 -3.284 -18.507 1.00 0.00 O ATOM 946 CB LEU A 61 6.259 -5.984 -16.837 1.00 0.00 C ATOM 947 CG LEU A 61 6.006 -6.919 -15.652 1.00 0.00 C ATOM 948 CD1 LEU A 61 7.290 -7.680 -15.317 1.00 0.00 C ATOM 949 CD2 LEU A 61 5.568 -6.099 -14.435 1.00 0.00 C ATOM 0 H LEU A 61 3.954 -6.762 -17.378 1.00 0.00 H new ATOM 0 HA LEU A 61 5.015 -4.277 -16.389 1.00 0.00 H new ATOM 0 HB2 LEU A 61 6.473 -6.591 -17.717 1.00 0.00 H new ATOM 0 HB3 LEU A 61 7.154 -5.397 -16.630 1.00 0.00 H new ATOM 0 HG LEU A 61 5.221 -7.628 -15.914 1.00 0.00 H new ATOM 0 HD11 LEU A 61 7.109 -8.346 -14.473 1.00 0.00 H new ATOM 0 HD12 LEU A 61 7.601 -8.267 -16.181 1.00 0.00 H new ATOM 0 HD13 LEU A 61 8.076 -6.971 -15.058 1.00 0.00 H new ATOM 0 HD21 LEU A 61 5.388 -6.766 -13.592 1.00 0.00 H new ATOM 0 HD22 LEU A 61 6.352 -5.388 -14.174 1.00 0.00 H new ATOM 0 HD23 LEU A 61 4.652 -5.558 -14.671 1.00 0.00 H new ATOM 961 N ASP A 62 4.963 -4.898 -19.595 1.00 0.00 N ATOM 962 CA ASP A 62 5.211 -4.318 -20.916 1.00 0.00 C ATOM 963 C ASP A 62 4.733 -2.869 -20.976 1.00 0.00 C ATOM 964 O ASP A 62 5.309 -2.040 -21.676 1.00 0.00 O ATOM 965 CB ASP A 62 4.491 -5.125 -21.997 1.00 0.00 C ATOM 966 CG ASP A 62 5.162 -4.884 -23.345 1.00 0.00 C ATOM 967 OD1 ASP A 62 6.101 -5.598 -23.654 1.00 0.00 O ATOM 968 OD2 ASP A 62 4.724 -3.989 -24.051 1.00 0.00 O ATOM 0 H ASP A 62 4.412 -5.757 -19.604 1.00 0.00 H new ATOM 0 HA ASP A 62 6.286 -4.346 -21.092 1.00 0.00 H new ATOM 0 HB2 ASP A 62 4.517 -6.187 -21.751 1.00 0.00 H new ATOM 0 HB3 ASP A 62 3.442 -4.834 -22.044 1.00 0.00 H new ATOM 973 N HIS A 63 3.678 -2.575 -20.225 1.00 0.00 N ATOM 974 CA HIS A 63 3.135 -1.221 -20.194 1.00 0.00 C ATOM 975 C HIS A 63 3.945 -0.350 -19.238 1.00 0.00 C ATOM 976 O HIS A 63 4.098 0.852 -19.446 1.00 0.00 O ATOM 977 CB HIS A 63 1.674 -1.237 -19.737 1.00 0.00 C ATOM 978 CG HIS A 63 0.776 -1.394 -20.932 1.00 0.00 C ATOM 979 ND1 HIS A 63 -0.088 -0.392 -21.345 1.00 0.00 N ATOM 980 CD2 HIS A 63 0.593 -2.432 -21.813 1.00 0.00 C ATOM 981 CE1 HIS A 63 -0.744 -0.843 -22.430 1.00 0.00 C ATOM 982 NE2 HIS A 63 -0.366 -2.082 -22.758 1.00 0.00 N ATOM 0 H HIS A 63 3.186 -3.247 -19.636 1.00 0.00 H new ATOM 0 HA HIS A 63 3.192 -0.811 -21.202 1.00 0.00 H new ATOM 0 HB2 HIS A 63 1.510 -2.055 -19.036 1.00 0.00 H new ATOM 0 HB3 HIS A 63 1.437 -0.313 -19.210 1.00 0.00 H new ATOM 0 HD2 HIS A 63 1.115 -3.377 -21.777 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -1.486 -0.273 -22.970 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -0.707 -2.649 -23.534 1.00 0.00 H new ATOM 990 N ILE A 64 4.462 -0.975 -18.185 1.00 0.00 N ATOM 991 CA ILE A 64 5.258 -0.254 -17.194 1.00 0.00 C ATOM 992 C ILE A 64 6.598 0.176 -17.789 1.00 0.00 C ATOM 993 O ILE A 64 6.933 1.361 -17.808 1.00 0.00 O ATOM 994 CB ILE A 64 5.506 -1.145 -15.970 1.00 0.00 C ATOM 995 CG1 ILE A 64 4.164 -1.638 -15.422 1.00 0.00 C ATOM 996 CG2 ILE A 64 6.232 -0.349 -14.881 1.00 0.00 C ATOM 997 CD1 ILE A 64 4.410 -2.708 -14.357 1.00 0.00 C ATOM 0 H ILE A 64 4.346 -1.971 -17.995 1.00 0.00 H new ATOM 0 HA ILE A 64 4.704 0.635 -16.892 1.00 0.00 H new ATOM 0 HB ILE A 64 6.122 -1.994 -16.266 1.00 0.00 H new ATOM 0 HG12 ILE A 64 3.606 -0.805 -14.994 1.00 0.00 H new ATOM 0 HG13 ILE A 64 3.557 -2.047 -16.230 1.00 0.00 H new ATOM 0 HG21 ILE A 64 6.404 -0.989 -14.016 1.00 0.00 H new ATOM 0 HG22 ILE A 64 7.188 0.006 -15.266 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.621 0.504 -14.585 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.455 -3.059 -13.967 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.951 -3.544 -14.800 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.000 -2.284 -13.545 1.00 0.00 H new ATOM 1009 N LYS A 65 7.368 -0.804 -18.262 1.00 0.00 N ATOM 1010 CA LYS A 65 8.685 -0.530 -18.843 1.00 0.00 C ATOM 1011 C LYS A 65 8.615 0.545 -19.933 1.00 0.00 C ATOM 1012 O LYS A 65 9.452 1.448 -19.981 1.00 0.00 O ATOM 1013 CB LYS A 65 9.282 -1.808 -19.440 1.00 0.00 C ATOM 1014 CG LYS A 65 8.334 -2.386 -20.491 1.00 0.00 C ATOM 1015 CD LYS A 65 8.714 -3.845 -20.766 1.00 0.00 C ATOM 1016 CE LYS A 65 8.345 -4.717 -19.562 1.00 0.00 C ATOM 1017 NZ LYS A 65 9.424 -5.698 -19.254 1.00 0.00 N ATOM 0 H LYS A 65 7.106 -1.790 -18.255 1.00 0.00 H new ATOM 0 HA LYS A 65 9.320 -0.164 -18.036 1.00 0.00 H new ATOM 0 HB2 LYS A 65 10.250 -1.591 -19.892 1.00 0.00 H new ATOM 0 HB3 LYS A 65 9.455 -2.541 -18.652 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.304 -2.326 -20.141 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.392 -1.803 -21.410 1.00 0.00 H new ATOM 0 HD2 LYS A 65 8.197 -4.203 -21.657 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.783 -3.920 -20.966 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.167 -4.084 -18.693 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.415 -5.248 -19.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.146 -6.274 -18.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.576 -6.316 -20.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.304 -5.189 -19.036 1.00 0.00 H new ATOM 1031 N THR A 66 7.618 0.436 -20.809 1.00 0.00 N ATOM 1032 CA THR A 66 7.461 1.403 -21.900 1.00 0.00 C ATOM 1033 C THR A 66 7.352 2.830 -21.362 1.00 0.00 C ATOM 1034 O THR A 66 8.072 3.727 -21.800 1.00 0.00 O ATOM 1035 CB THR A 66 6.210 1.081 -22.725 1.00 0.00 C ATOM 1036 OG1 THR A 66 6.257 -0.277 -23.137 1.00 0.00 O ATOM 1037 CG2 THR A 66 6.158 1.984 -23.960 1.00 0.00 C ATOM 0 H THR A 66 6.914 -0.301 -20.788 1.00 0.00 H new ATOM 0 HA THR A 66 8.346 1.331 -22.532 1.00 0.00 H new ATOM 0 HB THR A 66 5.322 1.251 -22.116 1.00 0.00 H new ATOM 0 HG1 THR A 66 5.458 -0.744 -22.815 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.267 1.752 -24.543 1.00 0.00 H new ATOM 0 HG22 THR A 66 6.125 3.027 -23.647 1.00 0.00 H new ATOM 0 HG23 THR A 66 7.045 1.817 -24.571 1.00 0.00 H new ATOM 1045 N LYS A 67 6.440 3.031 -20.415 1.00 0.00 N ATOM 1046 CA LYS A 67 6.242 4.356 -19.831 1.00 0.00 C ATOM 1047 C LYS A 67 7.493 4.821 -19.093 1.00 0.00 C ATOM 1048 O LYS A 67 7.899 5.978 -19.203 1.00 0.00 O ATOM 1049 CB LYS A 67 5.055 4.345 -18.862 1.00 0.00 C ATOM 1050 CG LYS A 67 3.768 4.727 -19.606 1.00 0.00 C ATOM 1051 CD LYS A 67 3.474 3.708 -20.714 1.00 0.00 C ATOM 1052 CE LYS A 67 1.975 3.406 -20.754 1.00 0.00 C ATOM 1053 NZ LYS A 67 1.542 2.980 -22.115 1.00 0.00 N ATOM 0 H LYS A 67 5.832 2.303 -20.038 1.00 0.00 H new ATOM 0 HA LYS A 67 6.036 5.049 -20.647 1.00 0.00 H new ATOM 0 HB2 LYS A 67 4.948 3.356 -18.416 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.235 5.045 -18.046 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.933 4.766 -18.907 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.870 5.723 -20.036 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.801 4.099 -21.677 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.035 2.791 -20.535 1.00 0.00 H new ATOM 0 HE2 LYS A 67 1.741 2.622 -20.034 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.416 4.292 -20.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 0.521 2.783 -22.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 1.744 3.739 -22.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 2.059 2.121 -22.391 1.00 0.00 H new ATOM 1067 N PHE A 68 8.103 3.913 -18.337 1.00 0.00 N ATOM 1068 CA PHE A 68 9.308 4.254 -17.589 1.00 0.00 C ATOM 1069 C PHE A 68 10.464 4.542 -18.545 1.00 0.00 C ATOM 1070 O PHE A 68 11.350 5.343 -18.245 1.00 0.00 O ATOM 1071 CB PHE A 68 9.702 3.110 -16.650 1.00 0.00 C ATOM 1072 CG PHE A 68 10.252 3.677 -15.361 1.00 0.00 C ATOM 1073 CD1 PHE A 68 11.472 4.365 -15.362 1.00 0.00 C ATOM 1074 CD2 PHE A 68 9.543 3.514 -14.166 1.00 0.00 C ATOM 1075 CE1 PHE A 68 11.981 4.889 -14.167 1.00 0.00 C ATOM 1076 CE2 PHE A 68 10.052 4.038 -12.971 1.00 0.00 C ATOM 1077 CZ PHE A 68 11.271 4.726 -12.972 1.00 0.00 C ATOM 0 H PHE A 68 7.788 2.949 -18.227 1.00 0.00 H new ATOM 0 HA PHE A 68 9.097 5.145 -16.998 1.00 0.00 H new ATOM 0 HB2 PHE A 68 8.836 2.482 -16.442 1.00 0.00 H new ATOM 0 HB3 PHE A 68 10.448 2.475 -17.127 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.020 4.491 -16.284 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.602 2.984 -14.165 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.922 5.419 -14.168 1.00 0.00 H new ATOM 0 HE2 PHE A 68 9.504 3.911 -12.049 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.664 5.131 -12.051 1.00 0.00 H new ATOM 1087 N LYS A 69 10.447 3.880 -19.699 1.00 0.00 N ATOM 1088 CA LYS A 69 11.501 4.076 -20.691 1.00 0.00 C ATOM 1089 C LYS A 69 11.341 5.429 -21.379 1.00 0.00 C ATOM 1090 O LYS A 69 12.110 6.360 -21.139 1.00 0.00 O ATOM 1091 CB LYS A 69 11.457 2.968 -21.746 1.00 0.00 C ATOM 1092 CG LYS A 69 11.979 1.663 -21.140 1.00 0.00 C ATOM 1093 CD LYS A 69 13.493 1.573 -21.344 1.00 0.00 C ATOM 1094 CE LYS A 69 13.891 0.117 -21.590 1.00 0.00 C ATOM 1095 NZ LYS A 69 15.339 -0.106 -21.313 1.00 0.00 N ATOM 0 H LYS A 69 9.725 3.212 -19.968 1.00 0.00 H new ATOM 0 HA LYS A 69 12.460 4.044 -20.174 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.436 2.832 -22.103 1.00 0.00 H new ATOM 0 HB3 LYS A 69 12.062 3.248 -22.608 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.742 1.623 -20.077 1.00 0.00 H new ATOM 0 HG3 LYS A 69 11.487 0.810 -21.608 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.794 2.191 -22.190 1.00 0.00 H new ATOM 0 HD3 LYS A 69 14.012 1.959 -20.467 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.293 -0.537 -20.956 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.671 -0.152 -22.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 15.577 -1.103 -21.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.909 0.501 -21.936 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 15.543 0.128 -20.320 1.00 0.00 H new ATOM 1109 N GLU A 70 10.327 5.527 -22.242 1.00 0.00 N ATOM 1110 CA GLU A 70 10.061 6.769 -22.975 1.00 0.00 C ATOM 1111 C GLU A 70 9.966 7.967 -22.026 1.00 0.00 C ATOM 1112 O GLU A 70 9.169 7.974 -21.089 1.00 0.00 O ATOM 1113 CB GLU A 70 8.751 6.653 -23.762 1.00 0.00 C ATOM 1114 CG GLU A 70 7.594 6.330 -22.806 1.00 0.00 C ATOM 1115 CD GLU A 70 6.775 7.591 -22.545 1.00 0.00 C ATOM 1116 OE1 GLU A 70 6.452 8.272 -23.504 1.00 0.00 O ATOM 1117 OE2 GLU A 70 6.483 7.856 -21.391 1.00 0.00 O ATOM 0 H GLU A 70 9.680 4.767 -22.450 1.00 0.00 H new ATOM 0 HA GLU A 70 10.893 6.928 -23.661 1.00 0.00 H new ATOM 0 HB2 GLU A 70 8.549 7.586 -24.289 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.839 5.872 -24.518 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.959 5.555 -23.236 1.00 0.00 H new ATOM 0 HG3 GLU A 70 7.984 5.937 -21.867 1.00 0.00 H new ATOM 1210 N LYS A 77 17.788 0.540 -17.266 1.00 0.00 N ATOM 1211 CA LYS A 77 17.823 -0.565 -16.310 1.00 0.00 C ATOM 1212 C LYS A 77 16.439 -0.840 -15.709 1.00 0.00 C ATOM 1213 O LYS A 77 16.305 -1.668 -14.808 1.00 0.00 O ATOM 1214 CB LYS A 77 18.799 -0.251 -15.174 1.00 0.00 C ATOM 1215 CG LYS A 77 20.212 -0.671 -15.584 1.00 0.00 C ATOM 1216 CD LYS A 77 21.214 -0.179 -14.539 1.00 0.00 C ATOM 1217 CE LYS A 77 20.974 -0.909 -13.217 1.00 0.00 C ATOM 1218 NZ LYS A 77 22.012 -0.560 -12.205 1.00 0.00 N ATOM 0 HA LYS A 77 18.150 -1.451 -16.854 1.00 0.00 H new ATOM 0 HB2 LYS A 77 18.777 0.815 -14.945 1.00 0.00 H new ATOM 0 HB3 LYS A 77 18.500 -0.778 -14.268 1.00 0.00 H new ATOM 0 HG2 LYS A 77 20.268 -1.756 -15.675 1.00 0.00 H new ATOM 0 HG3 LYS A 77 20.457 -0.256 -16.562 1.00 0.00 H new ATOM 0 HD2 LYS A 77 22.232 -0.356 -14.885 1.00 0.00 H new ATOM 0 HD3 LYS A 77 21.108 0.897 -14.397 1.00 0.00 H new ATOM 0 HE2 LYS A 77 19.987 -0.652 -12.832 1.00 0.00 H new ATOM 0 HE3 LYS A 77 20.978 -1.985 -13.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 21.820 -1.072 -11.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 22.951 -0.828 -12.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 21.990 0.464 -12.024 1.00 0.00 H new ATOM 1232 N VAL A 78 15.408 -0.149 -16.205 1.00 0.00 N ATOM 1233 CA VAL A 78 14.057 -0.354 -15.687 1.00 0.00 C ATOM 1234 C VAL A 78 13.611 -1.798 -15.914 1.00 0.00 C ATOM 1235 O VAL A 78 12.933 -2.388 -15.076 1.00 0.00 O ATOM 1236 CB VAL A 78 13.064 0.597 -16.369 1.00 0.00 C ATOM 1237 CG1 VAL A 78 11.666 0.424 -15.759 1.00 0.00 C ATOM 1238 CG2 VAL A 78 13.524 2.045 -16.170 1.00 0.00 C ATOM 0 H VAL A 78 15.482 0.544 -16.950 1.00 0.00 H new ATOM 0 HA VAL A 78 14.073 -0.145 -14.617 1.00 0.00 H new ATOM 0 HB VAL A 78 13.024 0.364 -17.433 1.00 0.00 H new ATOM 0 HG11 VAL A 78 10.968 1.103 -16.249 1.00 0.00 H new ATOM 0 HG12 VAL A 78 11.332 -0.604 -15.900 1.00 0.00 H new ATOM 0 HG13 VAL A 78 11.704 0.650 -14.693 1.00 0.00 H new ATOM 0 HG21 VAL A 78 12.819 2.721 -16.654 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.568 2.270 -15.104 1.00 0.00 H new ATOM 0 HG23 VAL A 78 14.513 2.176 -16.610 1.00 0.00 H new ATOM 1248 N ASP A 79 13.995 -2.359 -17.061 1.00 0.00 N ATOM 1249 CA ASP A 79 13.622 -3.739 -17.401 1.00 0.00 C ATOM 1250 C ASP A 79 13.916 -4.701 -16.247 1.00 0.00 C ATOM 1251 O ASP A 79 13.077 -5.524 -15.879 1.00 0.00 O ATOM 1252 CB ASP A 79 14.376 -4.211 -18.648 1.00 0.00 C ATOM 1253 CG ASP A 79 15.868 -3.934 -18.491 1.00 0.00 C ATOM 1254 OD1 ASP A 79 16.240 -2.772 -18.505 1.00 0.00 O ATOM 1255 OD2 ASP A 79 16.617 -4.889 -18.357 1.00 0.00 O ATOM 0 H ASP A 79 14.559 -1.887 -17.767 1.00 0.00 H new ATOM 0 HA ASP A 79 12.550 -3.742 -17.597 1.00 0.00 H new ATOM 0 HB2 ASP A 79 14.210 -5.277 -18.802 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.993 -3.698 -19.530 1.00 0.00 H new ATOM 1260 N ASP A 80 15.112 -4.585 -15.678 1.00 0.00 N ATOM 1261 CA ASP A 80 15.502 -5.449 -14.566 1.00 0.00 C ATOM 1262 C ASP A 80 14.676 -5.133 -13.322 1.00 0.00 C ATOM 1263 O ASP A 80 14.210 -6.033 -12.624 1.00 0.00 O ATOM 1264 CB ASP A 80 16.986 -5.264 -14.240 1.00 0.00 C ATOM 1265 CG ASP A 80 17.562 -6.579 -13.722 1.00 0.00 C ATOM 1266 OD1 ASP A 80 16.962 -7.154 -12.830 1.00 0.00 O ATOM 1267 OD2 ASP A 80 18.593 -6.989 -14.226 1.00 0.00 O ATOM 0 H ASP A 80 15.821 -3.910 -15.963 1.00 0.00 H new ATOM 0 HA ASP A 80 15.321 -6.481 -14.866 1.00 0.00 H new ATOM 0 HB2 ASP A 80 17.527 -4.943 -15.130 1.00 0.00 H new ATOM 0 HB3 ASP A 80 17.110 -4.481 -13.492 1.00 0.00 H new ATOM 1272 N LEU A 81 14.510 -3.842 -13.047 1.00 0.00 N ATOM 1273 CA LEU A 81 13.747 -3.410 -11.878 1.00 0.00 C ATOM 1274 C LEU A 81 12.283 -3.826 -11.993 1.00 0.00 C ATOM 1275 O LEU A 81 11.670 -4.262 -11.018 1.00 0.00 O ATOM 1276 CB LEU A 81 13.822 -1.888 -11.725 1.00 0.00 C ATOM 1277 CG LEU A 81 15.039 -1.359 -10.961 1.00 0.00 C ATOM 1278 CD1 LEU A 81 14.986 -1.847 -9.512 1.00 0.00 C ATOM 1279 CD2 LEU A 81 16.320 -1.870 -11.624 1.00 0.00 C ATOM 0 H LEU A 81 14.890 -3.082 -13.612 1.00 0.00 H new ATOM 0 HA LEU A 81 14.185 -3.890 -11.003 1.00 0.00 H new ATOM 0 HB2 LEU A 81 13.817 -1.440 -12.719 1.00 0.00 H new ATOM 0 HB3 LEU A 81 12.920 -1.547 -11.217 1.00 0.00 H new ATOM 0 HG LEU A 81 15.031 -0.269 -10.977 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.853 -1.470 -8.969 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.074 -1.482 -9.038 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.993 -2.937 -9.495 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.186 -1.493 -11.080 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.328 -2.960 -11.609 1.00 0.00 H new ATOM 0 HD23 LEU A 81 16.360 -1.521 -12.656 1.00 0.00 H new ATOM 1291 N VAL A 82 11.723 -3.677 -13.189 1.00 0.00 N ATOM 1292 CA VAL A 82 10.323 -4.032 -13.415 1.00 0.00 C ATOM 1293 C VAL A 82 10.097 -5.522 -13.167 1.00 0.00 C ATOM 1294 O VAL A 82 9.314 -5.906 -12.305 1.00 0.00 O ATOM 1295 CB VAL A 82 9.908 -3.686 -14.852 1.00 0.00 C ATOM 1296 CG1 VAL A 82 8.410 -3.952 -15.041 1.00 0.00 C ATOM 1297 CG2 VAL A 82 10.201 -2.206 -15.130 1.00 0.00 C ATOM 0 H VAL A 82 12.209 -3.317 -14.010 1.00 0.00 H new ATOM 0 HA VAL A 82 9.714 -3.459 -12.716 1.00 0.00 H new ATOM 0 HB VAL A 82 10.474 -4.307 -15.546 1.00 0.00 H new ATOM 0 HG11 VAL A 82 8.123 -3.704 -16.063 1.00 0.00 H new ATOM 0 HG12 VAL A 82 8.200 -5.004 -14.850 1.00 0.00 H new ATOM 0 HG13 VAL A 82 7.840 -3.337 -14.345 1.00 0.00 H new ATOM 0 HG21 VAL A 82 9.906 -1.962 -16.151 1.00 0.00 H new ATOM 0 HG22 VAL A 82 9.639 -1.586 -14.432 1.00 0.00 H new ATOM 0 HG23 VAL A 82 11.267 -2.017 -15.006 1.00 0.00 H new ATOM 1307 N ALA A 83 10.780 -6.356 -13.941 1.00 0.00 N ATOM 1308 CA ALA A 83 10.631 -7.804 -13.802 1.00 0.00 C ATOM 1309 C ALA A 83 11.031 -8.278 -12.403 1.00 0.00 C ATOM 1310 O ALA A 83 10.407 -9.176 -11.838 1.00 0.00 O ATOM 1311 CB ALA A 83 11.501 -8.526 -14.833 1.00 0.00 C ATOM 0 H ALA A 83 11.436 -6.062 -14.664 1.00 0.00 H new ATOM 0 HA ALA A 83 9.579 -8.039 -13.966 1.00 0.00 H new ATOM 0 HB1 ALA A 83 11.381 -9.603 -14.719 1.00 0.00 H new ATOM 0 HB2 ALA A 83 11.196 -8.231 -15.837 1.00 0.00 H new ATOM 0 HB3 ALA A 83 12.546 -8.259 -14.678 1.00 0.00 H new ATOM 1317 N LYS A 84 12.091 -7.684 -11.863 1.00 0.00 N ATOM 1318 CA LYS A 84 12.589 -8.074 -10.542 1.00 0.00 C ATOM 1319 C LYS A 84 11.677 -7.599 -9.409 1.00 0.00 C ATOM 1320 O LYS A 84 11.486 -8.307 -8.420 1.00 0.00 O ATOM 1321 CB LYS A 84 13.989 -7.501 -10.315 1.00 0.00 C ATOM 1322 CG LYS A 84 14.610 -8.147 -9.076 1.00 0.00 C ATOM 1323 CD LYS A 84 16.120 -7.893 -9.070 1.00 0.00 C ATOM 1324 CE LYS A 84 16.829 -9.021 -9.820 1.00 0.00 C ATOM 1325 NZ LYS A 84 18.229 -9.197 -9.341 1.00 0.00 N ATOM 0 H LYS A 84 12.620 -6.937 -12.313 1.00 0.00 H new ATOM 0 HA LYS A 84 12.613 -9.164 -10.527 1.00 0.00 H new ATOM 0 HB2 LYS A 84 14.615 -7.687 -11.188 1.00 0.00 H new ATOM 0 HB3 LYS A 84 13.935 -6.420 -10.186 1.00 0.00 H new ATOM 0 HG2 LYS A 84 14.158 -7.736 -8.173 1.00 0.00 H new ATOM 0 HG3 LYS A 84 14.411 -9.219 -9.073 1.00 0.00 H new ATOM 0 HD2 LYS A 84 16.340 -6.935 -9.540 1.00 0.00 H new ATOM 0 HD3 LYS A 84 16.486 -7.837 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 84 16.277 -9.952 -9.686 1.00 0.00 H new ATOM 0 HE3 LYS A 84 16.833 -8.803 -10.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 18.682 -9.970 -9.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 18.761 -8.316 -9.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 18.222 -9.429 -8.327 1.00 0.00 H new ATOM 1339 N CYS A 85 11.141 -6.390 -9.539 1.00 0.00 N ATOM 1340 CA CYS A 85 10.282 -5.838 -8.487 1.00 0.00 C ATOM 1341 C CYS A 85 8.815 -6.208 -8.694 1.00 0.00 C ATOM 1342 O CYS A 85 8.062 -6.363 -7.733 1.00 0.00 O ATOM 1343 CB CYS A 85 10.399 -4.314 -8.451 1.00 0.00 C ATOM 1344 SG CYS A 85 12.094 -3.849 -8.021 1.00 0.00 S ATOM 0 H CYS A 85 11.280 -5.780 -10.345 1.00 0.00 H new ATOM 0 HA CYS A 85 10.621 -6.268 -7.544 1.00 0.00 H new ATOM 0 HB2 CYS A 85 10.131 -3.895 -9.421 1.00 0.00 H new ATOM 0 HB3 CYS A 85 9.701 -3.902 -7.722 1.00 0.00 H new ATOM 1349 N ALA A 86 8.410 -6.331 -9.952 1.00 0.00 N ATOM 1350 CA ALA A 86 7.019 -6.660 -10.270 1.00 0.00 C ATOM 1351 C ALA A 86 6.754 -8.172 -10.227 1.00 0.00 C ATOM 1352 O ALA A 86 6.122 -8.729 -11.126 1.00 0.00 O ATOM 1353 CB ALA A 86 6.663 -6.125 -11.660 1.00 0.00 C ATOM 0 H ALA A 86 9.015 -6.210 -10.764 1.00 0.00 H new ATOM 0 HA ALA A 86 6.394 -6.189 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 86 5.627 -6.373 -11.891 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.789 -5.042 -11.677 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.319 -6.578 -12.403 1.00 0.00 H new ATOM 1359 N VAL A 87 7.215 -8.831 -9.164 1.00 0.00 N ATOM 1360 CA VAL A 87 6.992 -10.269 -9.025 1.00 0.00 C ATOM 1361 C VAL A 87 5.496 -10.557 -8.923 1.00 0.00 C ATOM 1362 O VAL A 87 4.776 -9.900 -8.175 1.00 0.00 O ATOM 1363 CB VAL A 87 7.696 -10.815 -7.775 1.00 0.00 C ATOM 1364 CG1 VAL A 87 9.207 -10.814 -8.002 1.00 0.00 C ATOM 1365 CG2 VAL A 87 7.365 -9.937 -6.563 1.00 0.00 C ATOM 0 H VAL A 87 7.736 -8.401 -8.400 1.00 0.00 H new ATOM 0 HA VAL A 87 7.405 -10.761 -9.906 1.00 0.00 H new ATOM 0 HB VAL A 87 7.352 -11.832 -7.587 1.00 0.00 H new ATOM 0 HG11 VAL A 87 9.708 -11.201 -7.115 1.00 0.00 H new ATOM 0 HG12 VAL A 87 9.447 -11.444 -8.859 1.00 0.00 H new ATOM 0 HG13 VAL A 87 9.545 -9.796 -8.194 1.00 0.00 H new ATOM 0 HG21 VAL A 87 7.868 -10.331 -5.680 1.00 0.00 H new ATOM 0 HG22 VAL A 87 7.703 -8.918 -6.749 1.00 0.00 H new ATOM 0 HG23 VAL A 87 6.288 -9.937 -6.397 1.00 0.00 H new ATOM 1375 N LYS A 88 5.033 -11.543 -9.688 1.00 0.00 N ATOM 1376 CA LYS A 88 3.611 -11.904 -9.672 1.00 0.00 C ATOM 1377 C LYS A 88 3.231 -12.553 -8.339 1.00 0.00 C ATOM 1378 O LYS A 88 3.826 -13.545 -7.921 1.00 0.00 O ATOM 1379 CB LYS A 88 3.272 -12.868 -10.817 1.00 0.00 C ATOM 1380 CG LYS A 88 4.293 -14.007 -10.877 1.00 0.00 C ATOM 1381 CD LYS A 88 3.675 -15.212 -11.589 1.00 0.00 C ATOM 1382 CE LYS A 88 3.004 -16.126 -10.562 1.00 0.00 C ATOM 1383 NZ LYS A 88 3.005 -17.545 -11.015 1.00 0.00 N ATOM 0 H LYS A 88 5.609 -12.101 -10.319 1.00 0.00 H new ATOM 0 HA LYS A 88 3.041 -10.984 -9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 88 2.271 -13.276 -10.673 1.00 0.00 H new ATOM 0 HB3 LYS A 88 3.263 -12.329 -11.764 1.00 0.00 H new ATOM 0 HG2 LYS A 88 5.188 -13.679 -11.405 1.00 0.00 H new ATOM 0 HG3 LYS A 88 4.602 -14.286 -9.870 1.00 0.00 H new ATOM 0 HD2 LYS A 88 2.944 -14.877 -12.325 1.00 0.00 H new ATOM 0 HD3 LYS A 88 4.445 -15.761 -12.131 1.00 0.00 H new ATOM 0 HE2 LYS A 88 3.524 -16.047 -9.607 1.00 0.00 H new ATOM 0 HE3 LYS A 88 1.979 -15.797 -10.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 2.543 -18.139 -10.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 2.488 -17.623 -11.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 3.985 -17.865 -11.151 1.00 0.00 H new ATOM 1397 N LYS A 89 2.223 -11.982 -7.678 1.00 0.00 N ATOM 1398 CA LYS A 89 1.760 -12.516 -6.395 1.00 0.00 C ATOM 1399 C LYS A 89 0.473 -13.314 -6.580 1.00 0.00 C ATOM 1400 O LYS A 89 -0.019 -13.482 -7.697 1.00 0.00 O ATOM 1401 CB LYS A 89 1.500 -11.385 -5.394 1.00 0.00 C ATOM 1402 CG LYS A 89 2.767 -11.115 -4.576 1.00 0.00 C ATOM 1403 CD LYS A 89 3.884 -10.606 -5.494 1.00 0.00 C ATOM 1404 CE LYS A 89 4.927 -11.708 -5.702 1.00 0.00 C ATOM 1405 NZ LYS A 89 5.914 -11.739 -4.585 1.00 0.00 N ATOM 0 H LYS A 89 1.716 -11.159 -8.004 1.00 0.00 H new ATOM 0 HA LYS A 89 2.544 -13.167 -6.008 1.00 0.00 H new ATOM 0 HB2 LYS A 89 1.198 -10.481 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 89 0.679 -11.656 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 89 2.559 -10.379 -3.800 1.00 0.00 H new ATOM 0 HG3 LYS A 89 3.086 -12.027 -4.072 1.00 0.00 H new ATOM 0 HD2 LYS A 89 3.468 -10.301 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 89 4.354 -9.725 -5.056 1.00 0.00 H new ATOM 0 HE2 LYS A 89 4.428 -12.674 -5.776 1.00 0.00 H new ATOM 0 HE3 LYS A 89 5.448 -11.545 -6.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 6.774 -12.234 -4.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 6.156 -10.766 -4.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 5.502 -12.238 -3.771 1.00 0.00 H new ATOM 1419 N ASP A 90 -0.067 -13.802 -5.466 1.00 0.00 N ATOM 1420 CA ASP A 90 -1.302 -14.582 -5.501 1.00 0.00 C ATOM 1421 C ASP A 90 -2.493 -13.717 -5.927 1.00 0.00 C ATOM 1422 O ASP A 90 -3.546 -14.239 -6.292 1.00 0.00 O ATOM 1423 CB ASP A 90 -1.594 -15.179 -4.123 1.00 0.00 C ATOM 1424 CG ASP A 90 -1.607 -14.068 -3.079 1.00 0.00 C ATOM 1425 OD1 ASP A 90 -0.547 -13.538 -2.791 1.00 0.00 O ATOM 1426 OD2 ASP A 90 -2.680 -13.763 -2.582 1.00 0.00 O ATOM 0 H ASP A 90 0.327 -13.673 -4.534 1.00 0.00 H new ATOM 0 HA ASP A 90 -1.164 -15.380 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -2.555 -15.693 -4.134 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -0.838 -15.922 -3.869 1.00 0.00 H new ATOM 1431 N THR A 91 -2.326 -12.394 -5.878 1.00 0.00 N ATOM 1432 CA THR A 91 -3.405 -11.490 -6.265 1.00 0.00 C ATOM 1433 C THR A 91 -2.838 -10.259 -6.972 1.00 0.00 C ATOM 1434 O THR A 91 -1.675 -9.904 -6.776 1.00 0.00 O ATOM 1435 CB THR A 91 -4.195 -11.042 -5.033 1.00 0.00 C ATOM 1436 OG1 THR A 91 -3.339 -11.035 -3.900 1.00 0.00 O ATOM 1437 CG2 THR A 91 -5.358 -12.006 -4.791 1.00 0.00 C ATOM 0 H THR A 91 -1.467 -11.932 -5.579 1.00 0.00 H new ATOM 0 HA THR A 91 -4.069 -12.025 -6.944 1.00 0.00 H new ATOM 0 HB THR A 91 -4.587 -10.039 -5.198 1.00 0.00 H new ATOM 0 HG1 THR A 91 -3.212 -11.953 -3.580 1.00 0.00 H new ATOM 0 HG21 THR A 91 -5.920 -11.686 -3.913 1.00 0.00 H new ATOM 0 HG22 THR A 91 -6.015 -12.009 -5.661 1.00 0.00 H new ATOM 0 HG23 THR A 91 -4.969 -13.011 -4.626 1.00 0.00 H new ATOM 1445 N PRO A 92 -3.649 -9.594 -7.805 1.00 0.00 N ATOM 1446 CA PRO A 92 -3.209 -8.401 -8.543 1.00 0.00 C ATOM 1447 C PRO A 92 -3.041 -7.179 -7.644 1.00 0.00 C ATOM 1448 O PRO A 92 -2.042 -6.465 -7.728 1.00 0.00 O ATOM 1449 CB PRO A 92 -4.322 -8.164 -9.558 1.00 0.00 C ATOM 1450 CG PRO A 92 -5.534 -8.792 -8.961 1.00 0.00 C ATOM 1451 CD PRO A 92 -5.053 -9.931 -8.108 1.00 0.00 C ATOM 0 HA PRO A 92 -2.230 -8.555 -8.996 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -4.476 -7.099 -9.733 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.079 -8.613 -10.521 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -6.090 -8.069 -8.364 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -6.208 -9.149 -9.739 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -5.645 -10.023 -7.197 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.129 -10.882 -8.635 1.00 0.00 H new ATOM 1459 N GLN A 93 -4.032 -6.940 -6.785 1.00 0.00 N ATOM 1460 CA GLN A 93 -3.976 -5.791 -5.882 1.00 0.00 C ATOM 1461 C GLN A 93 -2.716 -5.831 -5.015 1.00 0.00 C ATOM 1462 O GLN A 93 -2.239 -4.796 -4.548 1.00 0.00 O ATOM 1463 CB GLN A 93 -5.220 -5.738 -4.988 1.00 0.00 C ATOM 1464 CG GLN A 93 -5.302 -6.999 -4.122 1.00 0.00 C ATOM 1465 CD GLN A 93 -6.749 -7.474 -4.037 1.00 0.00 C ATOM 1466 OE1 GLN A 93 -7.271 -7.702 -2.945 1.00 0.00 O ATOM 1467 NE2 GLN A 93 -7.435 -7.641 -5.135 1.00 0.00 N ATOM 0 H GLN A 93 -4.869 -7.516 -6.696 1.00 0.00 H new ATOM 0 HA GLN A 93 -3.946 -4.892 -6.498 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.183 -4.853 -4.353 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -6.116 -5.651 -5.603 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -4.676 -7.784 -4.546 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.919 -6.791 -3.123 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -7.003 -7.452 -6.040 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -8.403 -7.960 -5.088 1.00 0.00 H new ATOM 1476 N HIS A 94 -2.172 -7.030 -4.817 1.00 0.00 N ATOM 1477 CA HIS A 94 -0.959 -7.175 -4.022 1.00 0.00 C ATOM 1478 C HIS A 94 0.235 -6.688 -4.832 1.00 0.00 C ATOM 1479 O HIS A 94 0.986 -5.814 -4.400 1.00 0.00 O ATOM 1480 CB HIS A 94 -0.740 -8.638 -3.629 1.00 0.00 C ATOM 1481 CG HIS A 94 -0.040 -8.704 -2.300 1.00 0.00 C ATOM 1482 ND1 HIS A 94 -0.530 -9.454 -1.243 1.00 0.00 N ATOM 1483 CD2 HIS A 94 1.114 -8.119 -1.842 1.00 0.00 C ATOM 1484 CE1 HIS A 94 0.319 -9.302 -0.210 1.00 0.00 C ATOM 1485 NE2 HIS A 94 1.339 -8.497 -0.522 1.00 0.00 N ATOM 0 H HIS A 94 -2.547 -7.902 -5.191 1.00 0.00 H new ATOM 0 HA HIS A 94 -1.064 -6.581 -3.114 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -1.697 -9.157 -3.574 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -0.146 -9.144 -4.390 1.00 0.00 H new ATOM 0 HD2 HIS A 94 1.751 -7.465 -2.419 1.00 0.00 H new ATOM 0 HE1 HIS A 94 0.192 -9.773 0.753 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.115 -8.219 0.078 1.00 0.00 H new ATOM 1493 N SER A 95 0.387 -7.255 -6.032 1.00 0.00 N ATOM 1494 CA SER A 95 1.479 -6.868 -6.932 1.00 0.00 C ATOM 1495 C SER A 95 1.553 -5.345 -7.089 1.00 0.00 C ATOM 1496 O SER A 95 2.614 -4.786 -7.362 1.00 0.00 O ATOM 1497 CB SER A 95 1.278 -7.497 -8.310 1.00 0.00 C ATOM 1498 OG SER A 95 0.178 -6.872 -8.958 1.00 0.00 O ATOM 0 H SER A 95 -0.228 -7.980 -6.402 1.00 0.00 H new ATOM 0 HA SER A 95 2.410 -7.226 -6.492 1.00 0.00 H new ATOM 0 HB2 SER A 95 2.181 -7.382 -8.910 1.00 0.00 H new ATOM 0 HB3 SER A 95 1.096 -8.567 -8.211 1.00 0.00 H new ATOM 0 HG SER A 95 0.474 -6.033 -9.369 1.00 0.00 H new ATOM 1504 N SER A 96 0.404 -4.684 -6.912 1.00 0.00 N ATOM 1505 CA SER A 96 0.333 -3.224 -7.034 1.00 0.00 C ATOM 1506 C SER A 96 1.383 -2.550 -6.152 1.00 0.00 C ATOM 1507 O SER A 96 2.279 -1.864 -6.643 1.00 0.00 O ATOM 1508 CB SER A 96 -1.053 -2.721 -6.626 1.00 0.00 C ATOM 1509 OG SER A 96 -2.008 -3.756 -6.825 1.00 0.00 O ATOM 0 H SER A 96 -0.483 -5.133 -6.685 1.00 0.00 H new ATOM 0 HA SER A 96 0.525 -2.970 -8.077 1.00 0.00 H new ATOM 0 HB2 SER A 96 -1.047 -2.413 -5.581 1.00 0.00 H new ATOM 0 HB3 SER A 96 -1.322 -1.844 -7.215 1.00 0.00 H new ATOM 0 HG SER A 96 -1.910 -4.123 -7.728 1.00 0.00 H new ATOM 1515 N ALA A 97 1.262 -2.758 -4.843 1.00 0.00 N ATOM 1516 CA ALA A 97 2.208 -2.170 -3.896 1.00 0.00 C ATOM 1517 C ALA A 97 3.627 -2.655 -4.184 1.00 0.00 C ATOM 1518 O ALA A 97 4.602 -1.935 -3.965 1.00 0.00 O ATOM 1519 CB ALA A 97 1.834 -2.550 -2.462 1.00 0.00 C ATOM 0 H ALA A 97 0.527 -3.323 -4.417 1.00 0.00 H new ATOM 0 HA ALA A 97 2.166 -1.087 -4.009 1.00 0.00 H new ATOM 0 HB1 ALA A 97 2.548 -2.104 -1.769 1.00 0.00 H new ATOM 0 HB2 ALA A 97 0.833 -2.182 -2.237 1.00 0.00 H new ATOM 0 HB3 ALA A 97 1.854 -3.635 -2.356 1.00 0.00 H new ATOM 1525 N ASP A 98 3.731 -3.889 -4.669 1.00 0.00 N ATOM 1526 CA ASP A 98 5.034 -4.473 -4.979 1.00 0.00 C ATOM 1527 C ASP A 98 5.767 -3.648 -6.035 1.00 0.00 C ATOM 1528 O ASP A 98 6.983 -3.471 -5.965 1.00 0.00 O ATOM 1529 CB ASP A 98 4.869 -5.906 -5.491 1.00 0.00 C ATOM 1530 CG ASP A 98 4.912 -6.876 -4.316 1.00 0.00 C ATOM 1531 OD1 ASP A 98 3.904 -7.001 -3.639 1.00 0.00 O ATOM 1532 OD2 ASP A 98 5.952 -7.479 -4.109 1.00 0.00 O ATOM 0 H ASP A 98 2.936 -4.500 -4.855 1.00 0.00 H new ATOM 0 HA ASP A 98 5.621 -4.477 -4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 98 3.923 -6.006 -6.024 1.00 0.00 H new ATOM 0 HB3 ASP A 98 5.662 -6.143 -6.201 1.00 0.00 H new ATOM 1537 N PHE A 99 5.018 -3.152 -7.019 1.00 0.00 N ATOM 1538 CA PHE A 99 5.622 -2.353 -8.086 1.00 0.00 C ATOM 1539 C PHE A 99 6.285 -1.103 -7.516 1.00 0.00 C ATOM 1540 O PHE A 99 7.489 -0.898 -7.668 1.00 0.00 O ATOM 1541 CB PHE A 99 4.567 -1.932 -9.120 1.00 0.00 C ATOM 1542 CG PHE A 99 3.754 -3.131 -9.568 1.00 0.00 C ATOM 1543 CD1 PHE A 99 4.380 -4.352 -9.861 1.00 0.00 C ATOM 1544 CD2 PHE A 99 2.365 -3.015 -9.695 1.00 0.00 C ATOM 1545 CE1 PHE A 99 3.616 -5.450 -10.276 1.00 0.00 C ATOM 1546 CE2 PHE A 99 1.601 -4.114 -10.109 1.00 0.00 C ATOM 1547 CZ PHE A 99 2.228 -5.330 -10.400 1.00 0.00 C ATOM 0 H PHE A 99 4.010 -3.285 -7.101 1.00 0.00 H new ATOM 0 HA PHE A 99 6.375 -2.973 -8.572 1.00 0.00 H new ATOM 0 HB2 PHE A 99 3.908 -1.179 -8.689 1.00 0.00 H new ATOM 0 HB3 PHE A 99 5.055 -1.474 -9.980 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.452 -4.445 -9.766 1.00 0.00 H new ATOM 0 HD2 PHE A 99 1.881 -2.076 -9.473 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.099 -6.390 -10.500 1.00 0.00 H new ATOM 0 HE2 PHE A 99 0.529 -4.022 -10.203 1.00 0.00 H new ATOM 0 HZ PHE A 99 1.640 -6.177 -10.721 1.00 0.00 H new ATOM 1557 N PHE A 100 5.486 -0.269 -6.856 1.00 0.00 N ATOM 1558 CA PHE A 100 6.009 0.960 -6.265 1.00 0.00 C ATOM 1559 C PHE A 100 7.054 0.636 -5.201 1.00 0.00 C ATOM 1560 O PHE A 100 7.313 -0.529 -4.903 1.00 0.00 O ATOM 1561 CB PHE A 100 4.879 1.769 -5.623 1.00 0.00 C ATOM 1562 CG PHE A 100 4.282 2.704 -6.647 1.00 0.00 C ATOM 1563 CD1 PHE A 100 3.286 2.247 -7.516 1.00 0.00 C ATOM 1564 CD2 PHE A 100 4.727 4.030 -6.726 1.00 0.00 C ATOM 1565 CE1 PHE A 100 2.733 3.116 -8.465 1.00 0.00 C ATOM 1566 CE2 PHE A 100 4.174 4.898 -7.675 1.00 0.00 C ATOM 1567 CZ PHE A 100 3.176 4.440 -8.544 1.00 0.00 C ATOM 0 H PHE A 100 4.486 -0.418 -6.718 1.00 0.00 H new ATOM 0 HA PHE A 100 6.469 1.547 -7.060 1.00 0.00 H new ATOM 0 HB2 PHE A 100 4.112 1.098 -5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 100 5.261 2.338 -4.775 1.00 0.00 H new ATOM 0 HD1 PHE A 100 2.943 1.225 -7.455 1.00 0.00 H new ATOM 0 HD2 PHE A 100 5.496 4.382 -6.055 1.00 0.00 H new ATOM 0 HE1 PHE A 100 1.964 2.763 -9.136 1.00 0.00 H new ATOM 0 HE2 PHE A 100 4.517 5.920 -7.737 1.00 0.00 H new ATOM 0 HZ PHE A 100 2.748 5.110 -9.276 1.00 0.00 H new ATOM 1577 N LYS A 101 7.648 1.688 -4.632 1.00 0.00 N ATOM 1578 CA LYS A 101 8.671 1.531 -3.591 1.00 0.00 C ATOM 1579 C LYS A 101 9.955 0.937 -4.168 1.00 0.00 C ATOM 1580 O LYS A 101 11.001 1.585 -4.181 1.00 0.00 O ATOM 1581 CB LYS A 101 8.174 0.632 -2.451 1.00 0.00 C ATOM 1582 CG LYS A 101 6.837 1.158 -1.925 1.00 0.00 C ATOM 1583 CD LYS A 101 6.013 -0.006 -1.370 1.00 0.00 C ATOM 1584 CE LYS A 101 4.564 0.443 -1.173 1.00 0.00 C ATOM 1585 NZ LYS A 101 3.819 -0.496 -0.287 1.00 0.00 N ATOM 0 H LYS A 101 7.440 2.657 -4.873 1.00 0.00 H new ATOM 0 HA LYS A 101 8.878 2.526 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 101 8.058 -0.392 -2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 101 8.909 0.609 -1.646 1.00 0.00 H new ATOM 0 HG2 LYS A 101 7.008 1.901 -1.146 1.00 0.00 H new ATOM 0 HG3 LYS A 101 6.290 1.656 -2.725 1.00 0.00 H new ATOM 0 HD2 LYS A 101 6.053 -0.853 -2.055 1.00 0.00 H new ATOM 0 HD3 LYS A 101 6.433 -0.343 -0.422 1.00 0.00 H new ATOM 0 HE2 LYS A 101 4.547 1.444 -0.741 1.00 0.00 H new ATOM 0 HE3 LYS A 101 4.066 0.505 -2.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 2.817 -0.513 -0.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 4.219 -1.451 -0.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 3.900 -0.180 0.700 1.00 0.00 H new ATOM 1599 N CYS A 102 9.869 -0.308 -4.638 1.00 0.00 N ATOM 1600 CA CYS A 102 11.033 -1.000 -5.209 1.00 0.00 C ATOM 1601 C CYS A 102 11.785 -0.119 -6.211 1.00 0.00 C ATOM 1602 O CYS A 102 12.936 0.258 -5.983 1.00 0.00 O ATOM 1603 CB CYS A 102 10.592 -2.283 -5.916 1.00 0.00 C ATOM 1604 SG CYS A 102 12.002 -3.410 -6.052 1.00 0.00 S ATOM 0 H CYS A 102 9.011 -0.859 -4.636 1.00 0.00 H new ATOM 0 HA CYS A 102 11.703 -1.236 -4.382 1.00 0.00 H new ATOM 0 HB2 CYS A 102 9.785 -2.759 -5.359 1.00 0.00 H new ATOM 0 HB3 CYS A 102 10.202 -2.050 -6.907 1.00 0.00 H new ATOM 1609 N VAL A 103 11.128 0.198 -7.323 1.00 0.00 N ATOM 1610 CA VAL A 103 11.749 1.028 -8.355 1.00 0.00 C ATOM 1611 C VAL A 103 12.086 2.424 -7.821 1.00 0.00 C ATOM 1612 O VAL A 103 12.915 3.131 -8.394 1.00 0.00 O ATOM 1613 CB VAL A 103 10.820 1.166 -9.564 1.00 0.00 C ATOM 1614 CG1 VAL A 103 10.587 -0.212 -10.186 1.00 0.00 C ATOM 1615 CG2 VAL A 103 9.478 1.753 -9.116 1.00 0.00 C ATOM 0 H VAL A 103 10.176 -0.102 -7.533 1.00 0.00 H new ATOM 0 HA VAL A 103 12.673 0.534 -8.656 1.00 0.00 H new ATOM 0 HB VAL A 103 11.279 1.827 -10.299 1.00 0.00 H new ATOM 0 HG11 VAL A 103 9.926 -0.115 -11.047 1.00 0.00 H new ATOM 0 HG12 VAL A 103 11.540 -0.633 -10.506 1.00 0.00 H new ATOM 0 HG13 VAL A 103 10.129 -0.871 -9.449 1.00 0.00 H new ATOM 0 HG21 VAL A 103 8.818 1.851 -9.978 1.00 0.00 H new ATOM 0 HG22 VAL A 103 9.019 1.092 -8.380 1.00 0.00 H new ATOM 0 HG23 VAL A 103 9.641 2.734 -8.671 1.00 0.00 H new ATOM 1625 N HIS A 104 11.440 2.818 -6.723 1.00 0.00 N ATOM 1626 CA HIS A 104 11.691 4.134 -6.140 1.00 0.00 C ATOM 1627 C HIS A 104 12.917 4.093 -5.231 1.00 0.00 C ATOM 1628 O HIS A 104 13.981 4.604 -5.579 1.00 0.00 O ATOM 1629 CB HIS A 104 10.479 4.599 -5.330 1.00 0.00 C ATOM 1630 CG HIS A 104 9.453 5.190 -6.257 1.00 0.00 C ATOM 1631 ND1 HIS A 104 8.489 4.416 -6.883 1.00 0.00 N ATOM 1632 CD2 HIS A 104 9.227 6.479 -6.673 1.00 0.00 C ATOM 1633 CE1 HIS A 104 7.734 5.238 -7.635 1.00 0.00 C ATOM 1634 NE2 HIS A 104 8.141 6.508 -7.543 1.00 0.00 N ATOM 0 H HIS A 104 10.750 2.254 -6.227 1.00 0.00 H new ATOM 0 HA HIS A 104 11.872 4.835 -6.955 1.00 0.00 H new ATOM 0 HB2 HIS A 104 10.050 3.759 -4.783 1.00 0.00 H new ATOM 0 HB3 HIS A 104 10.785 5.338 -4.590 1.00 0.00 H new ATOM 0 HD2 HIS A 104 9.805 7.340 -6.371 1.00 0.00 H new ATOM 0 HE1 HIS A 104 6.901 4.911 -8.239 1.00 0.00 H new ATOM 0 HE2 HIS A 104 7.742 7.322 -8.010 1.00 0.00 H new ATOM 1642 N ASP A 105 12.757 3.478 -4.061 1.00 0.00 N ATOM 1643 CA ASP A 105 13.858 3.374 -3.109 1.00 0.00 C ATOM 1644 C ASP A 105 14.807 2.248 -3.516 1.00 0.00 C ATOM 1645 O ASP A 105 14.783 1.156 -2.946 1.00 0.00 O ATOM 1646 CB ASP A 105 13.325 3.100 -1.701 1.00 0.00 C ATOM 1647 CG ASP A 105 12.518 4.302 -1.221 1.00 0.00 C ATOM 1648 OD1 ASP A 105 13.111 5.350 -1.026 1.00 0.00 O ATOM 1649 OD2 ASP A 105 11.318 4.156 -1.052 1.00 0.00 O ATOM 0 H ASP A 105 11.885 3.049 -3.752 1.00 0.00 H new ATOM 0 HA ASP A 105 14.398 4.321 -3.110 1.00 0.00 H new ATOM 0 HB2 ASP A 105 12.700 2.207 -1.704 1.00 0.00 H new ATOM 0 HB3 ASP A 105 14.153 2.908 -1.018 1.00 0.00 H new