USER MOD reduce.3.24.130724 H: found=0, std=0, add=677, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 679 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 92 ASN : amide:sc= -4.11! C(o=-8.5!,f=-16!) USER MOD Set 1.2: A 94 HIS : no HE2:sc= -4.42! C(o=-8.5!,f=-5.7!) USER MOD Set 2.1: A 40 THR OG1 : rot 91:sc= 0.755 USER MOD Set 2.2: A 51 TYR OH : rot -121:sc= 0.21 USER MOD Set 2.3: A 71 HIS : no HE2:sc= 0.266 K(o=1.2,f=0.48) USER MOD Set 3.1: A 58 LYS NZ :NH3+ 141:sc= 0.0159 (180deg=0) USER MOD Set 3.2: A 85 SER OG : rot -163:sc= -0.954 USER MOD Set 4.1: A 35 THR OG1 : rot -71:sc= 1.2 USER MOD Set 4.2: A 74 THR OG1 : rot 180:sc= 1.01 USER MOD Single : A 23 ASN : amide:sc= -0.38 K(o=-0.38,f=-2.6!) USER MOD Single : A 27 TYR OH : rot 180:sc=-0.000571 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= -0.252 USER MOD Single : A 37 THR OG1 : rot -63:sc= 0.0823 USER MOD Single : A 49 GLN : amide:sc= -0.856 K(o=-0.86,f=-2.2!) USER MOD Single : A 50 ASN : amide:sc= -0.409 X(o=-0.41,f=-0.41) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 TYR OH : rot 180:sc= -0.895 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 90:sc= 0.358 USER MOD Single : A 62 LYS NZ :NH3+ 163:sc= -0.0111 (180deg=-0.172) USER MOD Single : A 64 GLN : amide:sc= -0.149 K(o=-0.15,f=-2.9!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 60:sc= -0.064 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -0.197 K(o=-0.2,f=-0.93) USER MOD Single : A 79 LYS NZ :NH3+ 146:sc= -0.321 (180deg=-2.46!) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 60:sc= 0.277 USER MOD Single : A 84 TYR OH : rot 30:sc= 0.47 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 99 SER OG : rot -110:sc= -0.295 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0.638 USER MOD Single : A 107 THR OG1 : rot 177:sc= 0.672 USER MOD Single : A 109 SER OG : rot 33:sc= 0.71 USER MOD ----------------------------------------------------------------- ATOM 214 N LEU A 17 15.144 1.532 -11.435 1.00 0.00 N ATOM 215 CA LEU A 17 13.754 1.458 -10.997 1.00 0.00 C ATOM 216 C LEU A 17 13.446 2.551 -9.978 1.00 0.00 C ATOM 217 O LEU A 17 14.341 3.138 -9.371 1.00 0.00 O ATOM 218 CB LEU A 17 13.462 0.084 -10.392 1.00 0.00 C ATOM 219 CG LEU A 17 12.940 -0.978 -11.360 1.00 0.00 C ATOM 220 CD1 LEU A 17 13.489 -0.741 -12.759 1.00 0.00 C ATOM 221 CD2 LEU A 17 13.306 -2.372 -10.870 1.00 0.00 C ATOM 0 HA LEU A 17 13.116 1.608 -11.868 1.00 0.00 H new ATOM 0 HB2 LEU A 17 14.377 -0.290 -9.932 1.00 0.00 H new ATOM 0 HB3 LEU A 17 12.732 0.209 -9.593 1.00 0.00 H new ATOM 0 HG LEU A 17 11.853 -0.903 -11.401 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.107 -1.506 -13.434 1.00 0.00 H new ATOM 0 HD12 LEU A 17 13.176 0.242 -13.111 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.578 -0.789 -12.736 1.00 0.00 H new ATOM 0 HD21 LEU A 17 12.927 -3.115 -11.571 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.390 -2.460 -10.799 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.864 -2.540 -9.888 1.00 0.00 H new ATOM 233 N PRO A 18 12.148 2.830 -9.784 1.00 0.00 N ATOM 234 CA PRO A 18 11.691 3.852 -8.837 1.00 0.00 C ATOM 235 C PRO A 18 11.921 3.441 -7.387 1.00 0.00 C ATOM 236 O PRO A 18 12.254 2.292 -7.102 1.00 0.00 O ATOM 237 CB PRO A 18 10.193 3.962 -9.131 1.00 0.00 C ATOM 238 CG PRO A 18 9.821 2.641 -9.709 1.00 0.00 C ATOM 239 CD PRO A 18 11.027 2.169 -10.474 1.00 0.00 C ATOM 0 HA PRO A 18 12.232 4.791 -8.956 1.00 0.00 H new ATOM 0 HB2 PRO A 18 9.626 4.171 -8.224 1.00 0.00 H new ATOM 0 HB3 PRO A 18 9.985 4.772 -9.830 1.00 0.00 H new ATOM 0 HG2 PRO A 18 9.555 1.933 -8.924 1.00 0.00 H new ATOM 0 HG3 PRO A 18 8.954 2.732 -10.364 1.00 0.00 H new ATOM 0 HD2 PRO A 18 11.121 1.083 -10.446 1.00 0.00 H new ATOM 0 HD3 PRO A 18 10.975 2.457 -11.524 1.00 0.00 H new ATOM 247 N GLY A 19 11.739 4.390 -6.472 1.00 0.00 N ATOM 248 CA GLY A 19 11.931 4.107 -5.062 1.00 0.00 C ATOM 249 C GLY A 19 10.620 4.011 -4.306 1.00 0.00 C ATOM 250 O GLY A 19 9.546 4.273 -4.848 1.00 0.00 O ATOM 0 H GLY A 19 11.462 5.349 -6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.479 3.171 -4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 19 12.546 4.889 -4.618 1.00 0.00 H new ATOM 254 N PRO A 20 10.699 3.627 -3.024 1.00 0.00 N ATOM 255 CA PRO A 20 9.519 3.487 -2.166 1.00 0.00 C ATOM 256 C PRO A 20 8.887 4.833 -1.825 1.00 0.00 C ATOM 257 O PRO A 20 9.548 5.721 -1.288 1.00 0.00 O ATOM 258 CB PRO A 20 10.075 2.823 -0.903 1.00 0.00 C ATOM 259 CG PRO A 20 11.514 3.207 -0.875 1.00 0.00 C ATOM 260 CD PRO A 20 11.946 3.299 -2.313 1.00 0.00 C ATOM 0 HA PRO A 20 8.728 2.916 -2.652 1.00 0.00 H new ATOM 0 HB2 PRO A 20 9.555 3.172 -0.011 1.00 0.00 H new ATOM 0 HB3 PRO A 20 9.955 1.740 -0.939 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.654 4.159 -0.364 1.00 0.00 H new ATOM 0 HG3 PRO A 20 12.105 2.466 -0.336 1.00 0.00 H new ATOM 0 HD2 PRO A 20 12.704 4.069 -2.456 1.00 0.00 H new ATOM 0 HD3 PRO A 20 12.374 2.360 -2.665 1.00 0.00 H new ATOM 268 N ALA A 21 7.604 4.976 -2.141 1.00 0.00 N ATOM 269 CA ALA A 21 6.883 6.212 -1.866 1.00 0.00 C ATOM 270 C ALA A 21 7.065 6.643 -0.414 1.00 0.00 C ATOM 271 O ALA A 21 6.566 6.007 0.514 1.00 0.00 O ATOM 272 CB ALA A 21 5.406 6.044 -2.187 1.00 0.00 C ATOM 0 H ALA A 21 7.043 4.251 -2.588 1.00 0.00 H new ATOM 0 HA ALA A 21 7.296 6.994 -2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 21 4.880 6.975 -1.977 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.289 5.791 -3.241 1.00 0.00 H new ATOM 0 HB3 ALA A 21 4.989 5.245 -1.574 1.00 0.00 H new ATOM 278 N PRO A 22 7.797 7.748 -0.211 1.00 0.00 N ATOM 279 CA PRO A 22 8.062 8.288 1.125 1.00 0.00 C ATOM 280 C PRO A 22 6.813 8.879 1.770 1.00 0.00 C ATOM 281 O PRO A 22 5.734 8.871 1.178 1.00 0.00 O ATOM 282 CB PRO A 22 9.099 9.384 0.867 1.00 0.00 C ATOM 283 CG PRO A 22 8.870 9.796 -0.547 1.00 0.00 C ATOM 284 CD PRO A 22 8.422 8.557 -1.272 1.00 0.00 C ATOM 0 HA PRO A 22 8.401 7.516 1.816 1.00 0.00 H new ATOM 0 HB2 PRO A 22 8.967 10.223 1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 22 10.113 9.012 1.012 1.00 0.00 H new ATOM 0 HG2 PRO A 22 8.114 10.579 -0.608 1.00 0.00 H new ATOM 0 HG3 PRO A 22 9.782 10.199 -0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 22 7.715 8.791 -2.068 1.00 0.00 H new ATOM 0 HD3 PRO A 22 9.261 8.036 -1.733 1.00 0.00 H new ATOM 292 N ASN A 23 6.966 9.391 2.987 1.00 0.00 N ATOM 293 CA ASN A 23 5.849 9.986 3.712 1.00 0.00 C ATOM 294 C ASN A 23 4.593 9.131 3.574 1.00 0.00 C ATOM 295 O ASN A 23 3.512 9.639 3.272 1.00 0.00 O ATOM 296 CB ASN A 23 5.575 11.401 3.197 1.00 0.00 C ATOM 297 CG ASN A 23 6.823 12.262 3.183 1.00 0.00 C ATOM 298 OD1 ASN A 23 7.202 12.809 2.147 1.00 0.00 O ATOM 299 ND2 ASN A 23 7.469 12.387 4.336 1.00 0.00 N ATOM 0 H ASN A 23 7.852 9.406 3.492 1.00 0.00 H new ATOM 0 HA ASN A 23 6.119 10.036 4.767 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.164 11.345 2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 23 4.818 11.873 3.824 1.00 0.00 H new ATOM 0 HD21 ASN A 23 8.315 12.954 4.388 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.119 11.916 5.170 1.00 0.00 H new ATOM 306 N LEU A 24 4.743 7.830 3.796 1.00 0.00 N ATOM 307 CA LEU A 24 3.621 6.903 3.697 1.00 0.00 C ATOM 308 C LEU A 24 2.751 6.966 4.948 1.00 0.00 C ATOM 309 O LEU A 24 3.139 6.480 6.011 1.00 0.00 O ATOM 310 CB LEU A 24 4.130 5.475 3.487 1.00 0.00 C ATOM 311 CG LEU A 24 3.085 4.446 3.056 1.00 0.00 C ATOM 312 CD1 LEU A 24 2.474 4.835 1.718 1.00 0.00 C ATOM 313 CD2 LEU A 24 3.703 3.058 2.979 1.00 0.00 C ATOM 0 H LEU A 24 5.630 7.393 4.046 1.00 0.00 H new ATOM 0 HA LEU A 24 3.015 7.196 2.840 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.919 5.499 2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.586 5.133 4.416 1.00 0.00 H new ATOM 0 HG LEU A 24 2.292 4.427 3.803 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.732 4.091 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.995 5.810 1.807 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.257 4.883 0.961 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.944 2.339 2.671 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.516 3.062 2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 24 4.092 2.778 3.958 1.00 0.00 H new ATOM 325 N ARG A 25 1.572 7.564 4.813 1.00 0.00 N ATOM 326 CA ARG A 25 0.646 7.690 5.933 1.00 0.00 C ATOM 327 C ARG A 25 -0.760 7.261 5.525 1.00 0.00 C ATOM 328 O ARG A 25 -1.221 7.570 4.427 1.00 0.00 O ATOM 329 CB ARG A 25 0.623 9.131 6.444 1.00 0.00 C ATOM 330 CG ARG A 25 1.029 10.156 5.397 1.00 0.00 C ATOM 331 CD ARG A 25 1.520 11.444 6.039 1.00 0.00 C ATOM 332 NE ARG A 25 1.375 12.590 5.146 1.00 0.00 N ATOM 333 CZ ARG A 25 0.226 13.228 4.949 1.00 0.00 C ATOM 334 NH1 ARG A 25 -0.872 12.833 5.579 1.00 0.00 N ATOM 335 NH2 ARG A 25 0.174 14.263 4.121 1.00 0.00 N ATOM 0 H ARG A 25 1.235 7.969 3.940 1.00 0.00 H new ATOM 0 HA ARG A 25 0.990 7.034 6.733 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -0.380 9.365 6.799 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.292 9.214 7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.814 9.741 4.765 1.00 0.00 H new ATOM 0 HG3 ARG A 25 0.179 10.372 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 25 0.962 11.627 6.957 1.00 0.00 H new ATOM 0 HD3 ARG A 25 2.567 11.333 6.319 1.00 0.00 H new ATOM 0 HE ARG A 25 2.201 12.919 4.646 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -0.836 12.038 6.217 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -1.753 13.325 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 25 1.016 14.570 3.635 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.708 14.752 3.971 1.00 0.00 H new ATOM 349 N ALA A 26 -1.437 6.546 6.418 1.00 0.00 N ATOM 350 CA ALA A 26 -2.791 6.076 6.153 1.00 0.00 C ATOM 351 C ALA A 26 -3.686 6.263 7.373 1.00 0.00 C ATOM 352 O ALA A 26 -3.320 5.888 8.487 1.00 0.00 O ATOM 353 CB ALA A 26 -2.769 4.614 5.730 1.00 0.00 C ATOM 0 H ALA A 26 -1.069 6.280 7.331 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.203 6.672 5.339 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -3.787 4.276 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -2.171 4.506 4.825 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -2.333 4.011 6.527 1.00 0.00 H new ATOM 359 N TYR A 27 -4.861 6.844 7.156 1.00 0.00 N ATOM 360 CA TYR A 27 -5.807 7.083 8.239 1.00 0.00 C ATOM 361 C TYR A 27 -7.188 6.536 7.887 1.00 0.00 C ATOM 362 O TYR A 27 -7.722 6.813 6.814 1.00 0.00 O ATOM 363 CB TYR A 27 -5.901 8.579 8.541 1.00 0.00 C ATOM 364 CG TYR A 27 -6.142 9.431 7.315 1.00 0.00 C ATOM 365 CD1 TYR A 27 -7.423 9.603 6.805 1.00 0.00 C ATOM 366 CD2 TYR A 27 -5.089 10.062 6.665 1.00 0.00 C ATOM 367 CE1 TYR A 27 -7.648 10.379 5.685 1.00 0.00 C ATOM 368 CE2 TYR A 27 -5.305 10.842 5.545 1.00 0.00 C ATOM 369 CZ TYR A 27 -6.586 10.997 5.059 1.00 0.00 C ATOM 370 OH TYR A 27 -6.805 11.771 3.942 1.00 0.00 O ATOM 0 H TYR A 27 -5.181 7.158 6.240 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.445 6.562 9.125 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -6.708 8.747 9.254 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -4.978 8.903 9.022 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -8.257 9.121 7.293 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -4.084 9.941 7.042 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -8.650 10.501 5.301 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -4.475 11.327 5.053 1.00 0.00 H new ATOM 0 HH TYR A 27 -5.952 12.135 3.624 1.00 0.00 H new ATOM 380 N ALA A 28 -7.759 5.758 8.801 1.00 0.00 N ATOM 381 CA ALA A 28 -9.077 5.174 8.589 1.00 0.00 C ATOM 382 C ALA A 28 -10.169 6.236 8.676 1.00 0.00 C ATOM 383 O ALA A 28 -10.526 6.685 9.764 1.00 0.00 O ATOM 384 CB ALA A 28 -9.333 4.068 9.603 1.00 0.00 C ATOM 0 H ALA A 28 -7.330 5.518 9.694 1.00 0.00 H new ATOM 0 HA ALA A 28 -9.101 4.747 7.587 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.321 3.640 9.433 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -8.577 3.291 9.492 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.284 4.480 10.611 1.00 0.00 H new ATOM 390 N ALA A 29 -10.694 6.633 7.521 1.00 0.00 N ATOM 391 CA ALA A 29 -11.745 7.641 7.467 1.00 0.00 C ATOM 392 C ALA A 29 -13.000 7.166 8.192 1.00 0.00 C ATOM 393 O ALA A 29 -13.619 7.921 8.941 1.00 0.00 O ATOM 394 CB ALA A 29 -12.069 7.989 6.022 1.00 0.00 C ATOM 0 H ALA A 29 -10.408 6.272 6.611 1.00 0.00 H new ATOM 0 HA ALA A 29 -11.382 8.536 7.972 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -12.856 8.743 5.997 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -11.177 8.379 5.533 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -12.407 7.094 5.499 1.00 0.00 H new ATOM 400 N SER A 30 -13.369 5.909 7.965 1.00 0.00 N ATOM 401 CA SER A 30 -14.552 5.335 8.594 1.00 0.00 C ATOM 402 C SER A 30 -14.285 3.903 9.049 1.00 0.00 C ATOM 403 O SER A 30 -13.316 3.265 8.638 1.00 0.00 O ATOM 404 CB SER A 30 -15.734 5.360 7.623 1.00 0.00 C ATOM 405 OG SER A 30 -16.527 6.519 7.815 1.00 0.00 O ATOM 0 H SER A 30 -12.866 5.269 7.350 1.00 0.00 H new ATOM 0 HA SER A 30 -14.796 5.937 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.367 5.333 6.597 1.00 0.00 H new ATOM 0 HB3 SER A 30 -16.346 4.469 7.766 1.00 0.00 H new ATOM 0 HG SER A 30 -17.275 6.512 7.182 1.00 0.00 H new ATOM 411 N PRO A 31 -15.164 3.387 9.920 1.00 0.00 N ATOM 412 CA PRO A 31 -15.046 2.026 10.451 1.00 0.00 C ATOM 413 C PRO A 31 -15.321 0.964 9.392 1.00 0.00 C ATOM 414 O PRO A 31 -15.323 -0.233 9.683 1.00 0.00 O ATOM 415 CB PRO A 31 -16.113 1.978 11.547 1.00 0.00 C ATOM 416 CG PRO A 31 -17.117 3.002 11.143 1.00 0.00 C ATOM 417 CD PRO A 31 -16.343 4.091 10.453 1.00 0.00 C ATOM 0 HA PRO A 31 -14.038 1.815 10.809 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -16.564 0.988 11.618 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -15.687 2.205 12.524 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -17.866 2.573 10.477 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -17.649 3.391 12.011 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -16.926 4.557 9.658 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -16.059 4.883 11.146 1.00 0.00 H new ATOM 425 N THR A 32 -15.554 1.409 8.161 1.00 0.00 N ATOM 426 CA THR A 32 -15.832 0.497 7.059 1.00 0.00 C ATOM 427 C THR A 32 -14.895 0.753 5.884 1.00 0.00 C ATOM 428 O THR A 32 -14.718 -0.105 5.020 1.00 0.00 O ATOM 429 CB THR A 32 -17.289 0.626 6.576 1.00 0.00 C ATOM 430 OG1 THR A 32 -17.514 1.937 6.044 1.00 0.00 O ATOM 431 CG2 THR A 32 -18.262 0.361 7.715 1.00 0.00 C ATOM 0 H THR A 32 -15.556 2.396 7.903 1.00 0.00 H new ATOM 0 HA THR A 32 -15.670 -0.513 7.436 1.00 0.00 H new ATOM 0 HB THR A 32 -17.458 -0.116 5.796 1.00 0.00 H new ATOM 0 HG1 THR A 32 -18.442 2.011 5.737 1.00 0.00 H new ATOM 0 HG21 THR A 32 -19.284 0.458 7.350 1.00 0.00 H new ATOM 0 HG22 THR A 32 -18.107 -0.648 8.098 1.00 0.00 H new ATOM 0 HG23 THR A 32 -18.092 1.083 8.514 1.00 0.00 H new ATOM 439 N SER A 33 -14.296 1.939 5.859 1.00 0.00 N ATOM 440 CA SER A 33 -13.378 2.310 4.787 1.00 0.00 C ATOM 441 C SER A 33 -12.043 2.782 5.355 1.00 0.00 C ATOM 442 O SER A 33 -11.884 2.915 6.569 1.00 0.00 O ATOM 443 CB SER A 33 -13.993 3.407 3.917 1.00 0.00 C ATOM 444 OG SER A 33 -14.157 4.608 4.652 1.00 0.00 O ATOM 0 H SER A 33 -14.429 2.660 6.568 1.00 0.00 H new ATOM 0 HA SER A 33 -13.200 1.428 4.172 1.00 0.00 H new ATOM 0 HB2 SER A 33 -13.355 3.590 3.052 1.00 0.00 H new ATOM 0 HB3 SER A 33 -14.959 3.075 3.536 1.00 0.00 H new ATOM 0 HG SER A 33 -14.550 5.294 4.074 1.00 0.00 H new ATOM 450 N ILE A 34 -11.087 3.036 4.467 1.00 0.00 N ATOM 451 CA ILE A 34 -9.766 3.495 4.879 1.00 0.00 C ATOM 452 C ILE A 34 -9.107 4.326 3.783 1.00 0.00 C ATOM 453 O ILE A 34 -9.011 3.894 2.634 1.00 0.00 O ATOM 454 CB ILE A 34 -8.845 2.313 5.235 1.00 0.00 C ATOM 455 CG1 ILE A 34 -9.438 1.507 6.393 1.00 0.00 C ATOM 456 CG2 ILE A 34 -7.453 2.815 5.590 1.00 0.00 C ATOM 457 CD1 ILE A 34 -8.675 0.238 6.699 1.00 0.00 C ATOM 0 H ILE A 34 -11.203 2.932 3.459 1.00 0.00 H new ATOM 0 HA ILE A 34 -9.909 4.113 5.765 1.00 0.00 H new ATOM 0 HB ILE A 34 -8.764 1.660 4.366 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.461 2.132 7.286 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -10.471 1.252 6.156 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.813 1.968 5.839 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -7.031 3.350 4.739 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -7.516 3.487 6.446 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.152 -0.282 7.530 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -8.674 -0.407 5.820 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.648 0.487 6.968 1.00 0.00 H new ATOM 469 N THR A 35 -8.653 5.521 4.147 1.00 0.00 N ATOM 470 CA THR A 35 -8.002 6.413 3.195 1.00 0.00 C ATOM 471 C THR A 35 -6.486 6.360 3.341 1.00 0.00 C ATOM 472 O THR A 35 -5.929 6.843 4.327 1.00 0.00 O ATOM 473 CB THR A 35 -8.473 7.868 3.377 1.00 0.00 C ATOM 474 OG1 THR A 35 -9.841 7.995 2.971 1.00 0.00 O ATOM 475 CG2 THR A 35 -7.608 8.822 2.567 1.00 0.00 C ATOM 0 H THR A 35 -8.724 5.894 5.094 1.00 0.00 H new ATOM 0 HA THR A 35 -8.281 6.070 2.199 1.00 0.00 H new ATOM 0 HB THR A 35 -8.382 8.127 4.432 1.00 0.00 H new ATOM 0 HG1 THR A 35 -9.901 7.922 1.996 1.00 0.00 H new ATOM 0 HG21 THR A 35 -7.960 9.844 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.572 8.744 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 35 -7.671 8.562 1.510 1.00 0.00 H new ATOM 483 N VAL A 36 -5.821 5.770 2.352 1.00 0.00 N ATOM 484 CA VAL A 36 -4.368 5.656 2.369 1.00 0.00 C ATOM 485 C VAL A 36 -3.720 6.747 1.524 1.00 0.00 C ATOM 486 O VAL A 36 -4.242 7.128 0.475 1.00 0.00 O ATOM 487 CB VAL A 36 -3.907 4.280 1.853 1.00 0.00 C ATOM 488 CG1 VAL A 36 -2.393 4.158 1.935 1.00 0.00 C ATOM 489 CG2 VAL A 36 -4.583 3.164 2.635 1.00 0.00 C ATOM 0 H VAL A 36 -6.266 5.364 1.529 1.00 0.00 H new ATOM 0 HA VAL A 36 -4.054 5.771 3.407 1.00 0.00 H new ATOM 0 HB VAL A 36 -4.199 4.188 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -2.086 3.179 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.932 4.936 1.327 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -2.074 4.271 2.971 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -4.246 2.199 2.257 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -4.324 3.251 3.690 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -5.664 3.241 2.519 1.00 0.00 H new ATOM 499 N THR A 37 -2.579 7.247 1.986 1.00 0.00 N ATOM 500 CA THR A 37 -1.859 8.295 1.273 1.00 0.00 C ATOM 501 C THR A 37 -0.377 7.961 1.154 1.00 0.00 C ATOM 502 O THR A 37 0.140 7.120 1.890 1.00 0.00 O ATOM 503 CB THR A 37 -2.012 9.658 1.974 1.00 0.00 C ATOM 504 OG1 THR A 37 -1.033 9.789 3.011 1.00 0.00 O ATOM 505 CG2 THR A 37 -3.406 9.810 2.565 1.00 0.00 C ATOM 0 H THR A 37 -2.133 6.943 2.851 1.00 0.00 H new ATOM 0 HA THR A 37 -2.296 8.356 0.276 1.00 0.00 H new ATOM 0 HB THR A 37 -1.862 10.442 1.231 1.00 0.00 H new ATOM 0 HG1 THR A 37 -1.186 9.103 3.694 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.490 10.780 3.055 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.148 9.740 1.770 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.580 9.019 3.295 1.00 0.00 H new ATOM 513 N TRP A 38 0.301 8.625 0.225 1.00 0.00 N ATOM 514 CA TRP A 38 1.726 8.398 0.011 1.00 0.00 C ATOM 515 C TRP A 38 2.338 9.524 -0.815 1.00 0.00 C ATOM 516 O TRP A 38 1.636 10.220 -1.548 1.00 0.00 O ATOM 517 CB TRP A 38 1.951 7.056 -0.688 1.00 0.00 C ATOM 518 CG TRP A 38 1.224 6.937 -1.993 1.00 0.00 C ATOM 519 CD1 TRP A 38 1.683 7.309 -3.224 1.00 0.00 C ATOM 520 CD2 TRP A 38 -0.093 6.412 -2.196 1.00 0.00 C ATOM 521 NE1 TRP A 38 0.732 7.046 -4.180 1.00 0.00 N ATOM 522 CE2 TRP A 38 -0.367 6.495 -3.575 1.00 0.00 C ATOM 523 CE3 TRP A 38 -1.066 5.877 -1.347 1.00 0.00 C ATOM 524 CZ2 TRP A 38 -1.573 6.065 -4.121 1.00 0.00 C ATOM 525 CZ3 TRP A 38 -2.263 5.451 -1.891 1.00 0.00 C ATOM 526 CH2 TRP A 38 -2.508 5.546 -3.267 1.00 0.00 C ATOM 0 H TRP A 38 -0.112 9.324 -0.392 1.00 0.00 H new ATOM 0 HA TRP A 38 2.216 8.379 0.985 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.018 6.919 -0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 38 1.630 6.251 -0.027 1.00 0.00 H new ATOM 0 HD1 TRP A 38 2.652 7.746 -3.418 1.00 0.00 H new ATOM 0 HE1 TRP A 38 0.828 7.231 -5.178 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -0.886 5.798 -0.285 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -1.764 6.138 -5.181 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -3.023 5.038 -1.244 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -3.453 5.203 -3.662 1.00 0.00 H new ATOM 537 N GLU A 39 3.651 9.696 -0.693 1.00 0.00 N ATOM 538 CA GLU A 39 4.356 10.739 -1.429 1.00 0.00 C ATOM 539 C GLU A 39 5.186 10.140 -2.560 1.00 0.00 C ATOM 540 O GLU A 39 5.422 8.932 -2.601 1.00 0.00 O ATOM 541 CB GLU A 39 5.259 11.538 -0.487 1.00 0.00 C ATOM 542 CG GLU A 39 4.562 12.719 0.168 1.00 0.00 C ATOM 543 CD GLU A 39 4.491 13.931 -0.741 1.00 0.00 C ATOM 544 OE1 GLU A 39 3.757 13.872 -1.749 1.00 0.00 O ATOM 545 OE2 GLU A 39 5.168 14.937 -0.443 1.00 0.00 O ATOM 0 H GLU A 39 4.247 9.127 -0.092 1.00 0.00 H new ATOM 0 HA GLU A 39 3.612 11.408 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 39 5.638 10.874 0.290 1.00 0.00 H new ATOM 0 HB3 GLU A 39 6.122 11.900 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 39 3.553 12.426 0.457 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.090 12.986 1.083 1.00 0.00 H new ATOM 552 N THR A 40 5.627 10.993 -3.479 1.00 0.00 N ATOM 553 CA THR A 40 6.429 10.549 -4.613 1.00 0.00 C ATOM 554 C THR A 40 7.907 10.484 -4.248 1.00 0.00 C ATOM 555 O THR A 40 8.481 11.430 -3.707 1.00 0.00 O ATOM 556 CB THR A 40 6.252 11.482 -5.826 1.00 0.00 C ATOM 557 OG1 THR A 40 4.972 11.264 -6.429 1.00 0.00 O ATOM 558 CG2 THR A 40 7.349 11.248 -6.853 1.00 0.00 C ATOM 0 H THR A 40 5.442 11.996 -3.460 1.00 0.00 H new ATOM 0 HA THR A 40 6.078 9.551 -4.877 1.00 0.00 H new ATOM 0 HB THR A 40 6.317 12.512 -5.477 1.00 0.00 H new ATOM 0 HG1 THR A 40 4.315 11.872 -6.031 1.00 0.00 H new ATOM 0 HG21 THR A 40 7.203 11.918 -7.700 1.00 0.00 H new ATOM 0 HG22 THR A 40 8.320 11.444 -6.399 1.00 0.00 H new ATOM 0 HG23 THR A 40 7.311 10.214 -7.197 1.00 0.00 H new ATOM 566 N PRO A 41 8.542 9.342 -4.550 1.00 0.00 N ATOM 567 CA PRO A 41 9.964 9.127 -4.264 1.00 0.00 C ATOM 568 C PRO A 41 10.869 9.978 -5.147 1.00 0.00 C ATOM 569 O PRO A 41 10.965 9.754 -6.354 1.00 0.00 O ATOM 570 CB PRO A 41 10.166 7.640 -4.567 1.00 0.00 C ATOM 571 CG PRO A 41 9.098 7.306 -5.551 1.00 0.00 C ATOM 572 CD PRO A 41 7.922 8.173 -5.196 1.00 0.00 C ATOM 0 HA PRO A 41 10.220 9.407 -3.242 1.00 0.00 H new ATOM 0 HB2 PRO A 41 11.157 7.451 -4.979 1.00 0.00 H new ATOM 0 HB3 PRO A 41 10.076 7.036 -3.664 1.00 0.00 H new ATOM 0 HG2 PRO A 41 9.432 7.500 -6.570 1.00 0.00 H new ATOM 0 HG3 PRO A 41 8.834 6.250 -5.497 1.00 0.00 H new ATOM 0 HD2 PRO A 41 7.352 8.458 -6.080 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.234 7.661 -4.524 1.00 0.00 H new ATOM 580 N VAL A 42 11.532 10.956 -4.538 1.00 0.00 N ATOM 581 CA VAL A 42 12.431 11.841 -5.270 1.00 0.00 C ATOM 582 C VAL A 42 13.356 11.049 -6.186 1.00 0.00 C ATOM 583 O VAL A 42 13.858 11.571 -7.182 1.00 0.00 O ATOM 584 CB VAL A 42 13.283 12.694 -4.311 1.00 0.00 C ATOM 585 CG1 VAL A 42 12.392 13.493 -3.373 1.00 0.00 C ATOM 586 CG2 VAL A 42 14.243 11.813 -3.526 1.00 0.00 C ATOM 0 H VAL A 42 11.464 11.156 -3.540 1.00 0.00 H new ATOM 0 HA VAL A 42 11.805 12.500 -5.872 1.00 0.00 H new ATOM 0 HB VAL A 42 13.871 13.397 -4.902 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.011 14.089 -2.703 1.00 0.00 H new ATOM 0 HG12 VAL A 42 11.749 14.152 -3.956 1.00 0.00 H new ATOM 0 HG13 VAL A 42 11.776 12.811 -2.787 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.837 12.432 -2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.677 11.086 -2.945 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.904 11.290 -4.217 1.00 0.00 H new ATOM 650 N ILE A 48 6.671 8.845 -13.246 1.00 0.00 N ATOM 651 CA ILE A 48 5.694 7.871 -12.777 1.00 0.00 C ATOM 652 C ILE A 48 4.425 7.914 -13.622 1.00 0.00 C ATOM 653 O ILE A 48 3.833 8.975 -13.816 1.00 0.00 O ATOM 654 CB ILE A 48 5.323 8.112 -11.301 1.00 0.00 C ATOM 655 CG1 ILE A 48 6.568 8.017 -10.417 1.00 0.00 C ATOM 656 CG2 ILE A 48 4.268 7.113 -10.850 1.00 0.00 C ATOM 657 CD1 ILE A 48 7.244 6.665 -10.471 1.00 0.00 C ATOM 0 HA ILE A 48 6.157 6.889 -12.871 1.00 0.00 H new ATOM 0 HB ILE A 48 4.909 9.116 -11.205 1.00 0.00 H new ATOM 0 HG12 ILE A 48 7.280 8.783 -10.723 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.289 8.234 -9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.016 7.296 -9.805 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.374 7.226 -11.464 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.656 6.100 -10.957 1.00 0.00 H new ATOM 0 HD11 ILE A 48 8.119 6.669 -9.821 1.00 0.00 H new ATOM 0 HD12 ILE A 48 6.547 5.896 -10.137 1.00 0.00 H new ATOM 0 HD13 ILE A 48 7.554 6.454 -11.494 1.00 0.00 H new ATOM 669 N GLN A 49 4.013 6.753 -14.120 1.00 0.00 N ATOM 670 CA GLN A 49 2.814 6.658 -14.943 1.00 0.00 C ATOM 671 C GLN A 49 1.574 6.453 -14.078 1.00 0.00 C ATOM 672 O GLN A 49 0.631 7.240 -14.133 1.00 0.00 O ATOM 673 CB GLN A 49 2.947 5.510 -15.945 1.00 0.00 C ATOM 674 CG GLN A 49 4.153 5.638 -16.861 1.00 0.00 C ATOM 675 CD GLN A 49 4.273 7.017 -17.478 1.00 0.00 C ATOM 676 OE1 GLN A 49 3.279 7.723 -17.648 1.00 0.00 O ATOM 677 NE2 GLN A 49 5.496 7.410 -17.817 1.00 0.00 N ATOM 0 H GLN A 49 4.492 5.865 -13.968 1.00 0.00 H new ATOM 0 HA GLN A 49 2.703 7.595 -15.488 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.014 4.569 -15.399 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.043 5.463 -16.553 1.00 0.00 H new ATOM 0 HG2 GLN A 49 5.059 5.417 -16.296 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.082 4.894 -17.654 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.292 6.793 -17.658 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.639 8.329 -18.236 1.00 0.00 H new ATOM 686 N ASN A 50 1.585 5.390 -13.281 1.00 0.00 N ATOM 687 CA ASN A 50 0.460 5.081 -12.405 1.00 0.00 C ATOM 688 C ASN A 50 0.941 4.422 -11.115 1.00 0.00 C ATOM 689 O ASN A 50 2.044 3.879 -11.057 1.00 0.00 O ATOM 690 CB ASN A 50 -0.533 4.163 -13.120 1.00 0.00 C ATOM 691 CG ASN A 50 -1.814 3.971 -12.330 1.00 0.00 C ATOM 692 OD1 ASN A 50 -2.658 4.865 -12.270 1.00 0.00 O ATOM 693 ND2 ASN A 50 -1.963 2.801 -11.721 1.00 0.00 N ATOM 0 H ASN A 50 2.359 4.728 -13.223 1.00 0.00 H new ATOM 0 HA ASN A 50 -0.039 6.016 -12.151 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -0.771 4.581 -14.098 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -0.067 3.193 -13.293 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -2.804 2.614 -11.175 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -1.236 2.089 -11.799 1.00 0.00 H new ATOM 700 N TYR A 51 0.105 4.474 -10.084 1.00 0.00 N ATOM 701 CA TYR A 51 0.445 3.885 -8.794 1.00 0.00 C ATOM 702 C TYR A 51 -0.468 2.704 -8.478 1.00 0.00 C ATOM 703 O TYR A 51 -1.664 2.733 -8.768 1.00 0.00 O ATOM 704 CB TYR A 51 0.342 4.935 -7.687 1.00 0.00 C ATOM 705 CG TYR A 51 1.486 5.923 -7.681 1.00 0.00 C ATOM 706 CD1 TYR A 51 2.746 5.555 -7.225 1.00 0.00 C ATOM 707 CD2 TYR A 51 1.307 7.226 -8.131 1.00 0.00 C ATOM 708 CE1 TYR A 51 3.794 6.455 -7.217 1.00 0.00 C ATOM 709 CE2 TYR A 51 2.350 8.132 -8.128 1.00 0.00 C ATOM 710 CZ TYR A 51 3.591 7.742 -7.670 1.00 0.00 C ATOM 711 OH TYR A 51 4.632 8.642 -7.664 1.00 0.00 O ATOM 0 H TYR A 51 -0.813 4.918 -10.116 1.00 0.00 H new ATOM 0 HA TYR A 51 1.472 3.523 -8.847 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -0.596 5.479 -7.800 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.304 4.430 -6.722 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.909 4.548 -6.871 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.336 7.535 -8.489 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.767 6.153 -6.858 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.194 9.140 -8.482 1.00 0.00 H new ATOM 0 HH TYR A 51 4.394 9.414 -7.109 1.00 0.00 H new ATOM 721 N LYS A 52 0.106 1.665 -7.879 1.00 0.00 N ATOM 722 CA LYS A 52 -0.654 0.474 -7.520 1.00 0.00 C ATOM 723 C LYS A 52 -0.791 0.352 -6.006 1.00 0.00 C ATOM 724 O LYS A 52 0.191 0.119 -5.300 1.00 0.00 O ATOM 725 CB LYS A 52 0.024 -0.777 -8.083 1.00 0.00 C ATOM 726 CG LYS A 52 -0.944 -1.905 -8.397 1.00 0.00 C ATOM 727 CD LYS A 52 -0.321 -2.933 -9.327 1.00 0.00 C ATOM 728 CE LYS A 52 -1.383 -3.737 -10.060 1.00 0.00 C ATOM 729 NZ LYS A 52 -1.801 -3.078 -11.328 1.00 0.00 N ATOM 0 H LYS A 52 1.095 1.624 -7.632 1.00 0.00 H new ATOM 0 HA LYS A 52 -1.651 0.566 -7.951 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.564 -0.510 -8.991 1.00 0.00 H new ATOM 0 HB3 LYS A 52 0.763 -1.133 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -1.251 -2.390 -7.471 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.844 -1.496 -8.856 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.320 -2.429 -10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.315 -3.607 -8.753 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.998 -4.733 -10.278 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.252 -3.865 -9.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.526 -3.657 -11.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.192 -2.137 -11.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.978 -2.978 -11.955 1.00 0.00 H new ATOM 743 N LEU A 53 -2.015 0.511 -5.513 1.00 0.00 N ATOM 744 CA LEU A 53 -2.281 0.417 -4.082 1.00 0.00 C ATOM 745 C LEU A 53 -2.855 -0.950 -3.723 1.00 0.00 C ATOM 746 O LEU A 53 -3.804 -1.420 -4.350 1.00 0.00 O ATOM 747 CB LEU A 53 -3.250 1.519 -3.650 1.00 0.00 C ATOM 748 CG LEU A 53 -3.856 1.370 -2.254 1.00 0.00 C ATOM 749 CD1 LEU A 53 -2.803 1.618 -1.185 1.00 0.00 C ATOM 750 CD2 LEU A 53 -5.030 2.323 -2.078 1.00 0.00 C ATOM 0 H LEU A 53 -2.838 0.705 -6.083 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.336 0.544 -3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.727 2.474 -3.697 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -4.063 1.565 -4.374 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.222 0.349 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.253 1.508 -0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.994 0.897 -1.297 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.407 2.628 -1.292 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -5.449 2.203 -1.079 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -4.688 3.350 -2.207 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -5.795 2.099 -2.822 1.00 0.00 H new ATOM 762 N TYR A 54 -2.274 -1.582 -2.709 1.00 0.00 N ATOM 763 CA TYR A 54 -2.727 -2.895 -2.267 1.00 0.00 C ATOM 764 C TYR A 54 -3.447 -2.800 -0.925 1.00 0.00 C ATOM 765 O TYR A 54 -3.312 -1.810 -0.204 1.00 0.00 O ATOM 766 CB TYR A 54 -1.542 -3.856 -2.155 1.00 0.00 C ATOM 767 CG TYR A 54 -0.749 -3.991 -3.435 1.00 0.00 C ATOM 768 CD1 TYR A 54 -0.120 -2.891 -4.005 1.00 0.00 C ATOM 769 CD2 TYR A 54 -0.628 -5.219 -4.074 1.00 0.00 C ATOM 770 CE1 TYR A 54 0.604 -3.010 -5.175 1.00 0.00 C ATOM 771 CE2 TYR A 54 0.096 -5.347 -5.244 1.00 0.00 C ATOM 772 CZ TYR A 54 0.710 -4.239 -5.791 1.00 0.00 C ATOM 773 OH TYR A 54 1.432 -4.362 -6.955 1.00 0.00 O ATOM 0 H TYR A 54 -1.488 -1.206 -2.178 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.428 -3.278 -3.009 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.879 -3.511 -1.361 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -1.909 -4.839 -1.859 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -0.199 -1.927 -3.525 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -1.108 -6.088 -3.649 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.085 -2.144 -5.606 1.00 0.00 H new ATOM 0 HE2 TYR A 54 0.181 -6.309 -5.728 1.00 0.00 H new ATOM 0 HH TYR A 54 1.408 -5.294 -7.258 1.00 0.00 H new ATOM 783 N TYR A 55 -4.210 -3.835 -0.595 1.00 0.00 N ATOM 784 CA TYR A 55 -4.954 -3.869 0.658 1.00 0.00 C ATOM 785 C TYR A 55 -5.380 -5.293 1.001 1.00 0.00 C ATOM 786 O TYR A 55 -5.971 -5.991 0.178 1.00 0.00 O ATOM 787 CB TYR A 55 -6.183 -2.964 0.571 1.00 0.00 C ATOM 788 CG TYR A 55 -7.261 -3.493 -0.349 1.00 0.00 C ATOM 789 CD1 TYR A 55 -7.106 -3.448 -1.729 1.00 0.00 C ATOM 790 CD2 TYR A 55 -8.433 -4.036 0.162 1.00 0.00 C ATOM 791 CE1 TYR A 55 -8.088 -3.930 -2.573 1.00 0.00 C ATOM 792 CE2 TYR A 55 -9.419 -4.521 -0.675 1.00 0.00 C ATOM 793 CZ TYR A 55 -9.242 -4.466 -2.041 1.00 0.00 C ATOM 794 OH TYR A 55 -10.223 -4.947 -2.878 1.00 0.00 O ATOM 0 H TYR A 55 -4.330 -4.663 -1.179 1.00 0.00 H new ATOM 0 HA TYR A 55 -4.299 -3.505 1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -6.600 -2.835 1.570 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -5.874 -1.978 0.225 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -6.203 -3.029 -2.149 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -8.576 -4.080 1.232 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -7.953 -3.887 -3.644 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -10.324 -4.941 -0.261 1.00 0.00 H new ATOM 0 HH TYR A 55 -10.969 -5.291 -2.344 1.00 0.00 H new ATOM 804 N MET A 56 -5.075 -5.717 2.223 1.00 0.00 N ATOM 805 CA MET A 56 -5.428 -7.057 2.677 1.00 0.00 C ATOM 806 C MET A 56 -5.594 -7.092 4.193 1.00 0.00 C ATOM 807 O MET A 56 -5.118 -6.203 4.898 1.00 0.00 O ATOM 808 CB MET A 56 -4.359 -8.063 2.246 1.00 0.00 C ATOM 809 CG MET A 56 -3.254 -8.253 3.273 1.00 0.00 C ATOM 810 SD MET A 56 -1.712 -8.829 2.536 1.00 0.00 S ATOM 811 CE MET A 56 -1.134 -9.958 3.800 1.00 0.00 C ATOM 0 H MET A 56 -4.584 -5.152 2.916 1.00 0.00 H new ATOM 0 HA MET A 56 -6.379 -7.329 2.219 1.00 0.00 H new ATOM 0 HB2 MET A 56 -4.834 -9.025 2.053 1.00 0.00 H new ATOM 0 HB3 MET A 56 -3.917 -7.731 1.306 1.00 0.00 H new ATOM 0 HG2 MET A 56 -3.076 -7.309 3.788 1.00 0.00 H new ATOM 0 HG3 MET A 56 -3.582 -8.970 4.026 1.00 0.00 H new ATOM 0 HE1 MET A 56 -0.186 -10.397 3.490 1.00 0.00 H new ATOM 0 HE2 MET A 56 -0.994 -9.416 4.735 1.00 0.00 H new ATOM 0 HE3 MET A 56 -1.870 -10.749 3.945 1.00 0.00 H new ATOM 821 N GLU A 57 -6.271 -8.124 4.687 1.00 0.00 N ATOM 822 CA GLU A 57 -6.500 -8.272 6.119 1.00 0.00 C ATOM 823 C GLU A 57 -5.349 -9.027 6.778 1.00 0.00 C ATOM 824 O GLU A 57 -4.881 -10.043 6.262 1.00 0.00 O ATOM 825 CB GLU A 57 -7.818 -9.005 6.375 1.00 0.00 C ATOM 826 CG GLU A 57 -8.161 -9.145 7.848 1.00 0.00 C ATOM 827 CD GLU A 57 -9.094 -10.309 8.122 1.00 0.00 C ATOM 828 OE1 GLU A 57 -10.028 -10.521 7.321 1.00 0.00 O ATOM 829 OE2 GLU A 57 -8.890 -11.007 9.137 1.00 0.00 O ATOM 0 H GLU A 57 -6.670 -8.869 4.117 1.00 0.00 H new ATOM 0 HA GLU A 57 -6.557 -7.275 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -8.624 -8.471 5.872 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -7.765 -9.997 5.927 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.243 -9.278 8.420 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.624 -8.223 8.199 1.00 0.00 H new ATOM 836 N LYS A 58 -4.897 -8.524 7.922 1.00 0.00 N ATOM 837 CA LYS A 58 -3.802 -9.149 8.654 1.00 0.00 C ATOM 838 C LYS A 58 -4.148 -10.586 9.029 1.00 0.00 C ATOM 839 O LYS A 58 -4.793 -10.834 10.047 1.00 0.00 O ATOM 840 CB LYS A 58 -3.479 -8.345 9.915 1.00 0.00 C ATOM 841 CG LYS A 58 -2.022 -8.429 10.334 1.00 0.00 C ATOM 842 CD LYS A 58 -1.174 -7.394 9.615 1.00 0.00 C ATOM 843 CE LYS A 58 -0.625 -7.937 8.304 1.00 0.00 C ATOM 844 NZ LYS A 58 0.573 -7.179 7.848 1.00 0.00 N ATOM 0 H LYS A 58 -5.273 -7.684 8.362 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.926 -9.163 8.005 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.740 -7.300 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.105 -8.702 10.733 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -1.943 -8.281 11.411 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.638 -9.427 10.121 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.772 -6.504 9.419 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -0.348 -7.088 10.258 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -0.364 -8.988 8.427 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.399 -7.888 7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.267 -7.838 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 0.291 -6.485 7.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 0.999 -6.684 8.657 1.00 0.00 H new ATOM 858 N GLY A 59 -3.715 -11.531 8.200 1.00 0.00 N ATOM 859 CA GLY A 59 -3.988 -12.932 8.463 1.00 0.00 C ATOM 860 C GLY A 59 -4.820 -13.575 7.371 1.00 0.00 C ATOM 861 O GLY A 59 -5.724 -14.363 7.651 1.00 0.00 O ATOM 0 H GLY A 59 -3.180 -11.351 7.351 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.045 -13.470 8.562 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.510 -13.025 9.415 1.00 0.00 H new ATOM 865 N THR A 60 -4.516 -13.238 6.122 1.00 0.00 N ATOM 866 CA THR A 60 -5.243 -13.786 4.984 1.00 0.00 C ATOM 867 C THR A 60 -4.294 -14.446 3.990 1.00 0.00 C ATOM 868 O THR A 60 -4.686 -15.346 3.247 1.00 0.00 O ATOM 869 CB THR A 60 -6.053 -12.696 4.256 1.00 0.00 C ATOM 870 OG1 THR A 60 -6.505 -11.713 5.195 1.00 0.00 O ATOM 871 CG2 THR A 60 -7.246 -13.300 3.533 1.00 0.00 C ATOM 0 H THR A 60 -3.771 -12.588 5.873 1.00 0.00 H new ATOM 0 HA THR A 60 -5.929 -14.535 5.380 1.00 0.00 H new ATOM 0 HB THR A 60 -5.404 -12.223 3.519 1.00 0.00 H new ATOM 0 HG1 THR A 60 -5.834 -11.003 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 60 -7.802 -12.511 3.027 1.00 0.00 H new ATOM 0 HG22 THR A 60 -6.897 -14.026 2.799 1.00 0.00 H new ATOM 0 HG23 THR A 60 -7.895 -13.796 4.254 1.00 0.00 H new ATOM 879 N ASP A 61 -3.045 -13.995 3.984 1.00 0.00 N ATOM 880 CA ASP A 61 -2.038 -14.544 3.082 1.00 0.00 C ATOM 881 C ASP A 61 -2.405 -14.270 1.627 1.00 0.00 C ATOM 882 O ASP A 61 -2.005 -15.006 0.725 1.00 0.00 O ATOM 883 CB ASP A 61 -1.887 -16.049 3.308 1.00 0.00 C ATOM 884 CG ASP A 61 -0.834 -16.374 4.349 1.00 0.00 C ATOM 885 OD1 ASP A 61 -0.519 -15.489 5.172 1.00 0.00 O ATOM 886 OD2 ASP A 61 -0.325 -17.515 4.341 1.00 0.00 O ATOM 0 H ASP A 61 -2.705 -13.251 4.593 1.00 0.00 H new ATOM 0 HA ASP A 61 -1.088 -14.055 3.297 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -2.845 -16.464 3.622 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -1.624 -16.531 2.366 1.00 0.00 H new ATOM 891 N LYS A 62 -3.171 -13.206 1.405 1.00 0.00 N ATOM 892 CA LYS A 62 -3.592 -12.834 0.060 1.00 0.00 C ATOM 893 C LYS A 62 -3.692 -11.318 -0.079 1.00 0.00 C ATOM 894 O LYS A 62 -4.556 -10.686 0.527 1.00 0.00 O ATOM 895 CB LYS A 62 -4.942 -13.476 -0.270 1.00 0.00 C ATOM 896 CG LYS A 62 -5.564 -12.958 -1.555 1.00 0.00 C ATOM 897 CD LYS A 62 -5.050 -13.716 -2.768 1.00 0.00 C ATOM 898 CE LYS A 62 -5.783 -15.037 -2.951 1.00 0.00 C ATOM 899 NZ LYS A 62 -7.182 -14.835 -3.418 1.00 0.00 N ATOM 0 H LYS A 62 -3.512 -12.587 2.140 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.842 -13.198 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -4.812 -14.555 -0.349 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -5.631 -13.297 0.555 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -6.649 -13.052 -1.499 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -5.341 -11.897 -1.666 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -5.174 -13.103 -3.661 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -3.982 -13.904 -2.656 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -5.245 -15.654 -3.671 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -5.790 -15.582 -2.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -7.552 -15.728 -3.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.774 -14.530 -2.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -7.199 -14.106 -4.159 1.00 0.00 H new ATOM 913 N GLU A 63 -2.802 -10.742 -0.882 1.00 0.00 N ATOM 914 CA GLU A 63 -2.791 -9.300 -1.100 1.00 0.00 C ATOM 915 C GLU A 63 -3.541 -8.938 -2.378 1.00 0.00 C ATOM 916 O GLU A 63 -3.533 -9.694 -3.349 1.00 0.00 O ATOM 917 CB GLU A 63 -1.353 -8.784 -1.175 1.00 0.00 C ATOM 918 CG GLU A 63 -1.221 -7.304 -0.860 1.00 0.00 C ATOM 919 CD GLU A 63 0.116 -6.958 -0.233 1.00 0.00 C ATOM 920 OE1 GLU A 63 1.112 -7.645 -0.543 1.00 0.00 O ATOM 921 OE2 GLU A 63 0.166 -6.001 0.568 1.00 0.00 O ATOM 0 H GLU A 63 -2.080 -11.251 -1.392 1.00 0.00 H new ATOM 0 HA GLU A 63 -3.295 -8.827 -0.257 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -0.735 -9.352 -0.479 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.961 -8.971 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.348 -6.728 -1.777 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -2.023 -7.007 -0.184 1.00 0.00 H new ATOM 928 N GLN A 64 -4.187 -7.776 -2.370 1.00 0.00 N ATOM 929 CA GLN A 64 -4.943 -7.314 -3.528 1.00 0.00 C ATOM 930 C GLN A 64 -4.286 -6.088 -4.152 1.00 0.00 C ATOM 931 O GLN A 64 -3.258 -5.609 -3.671 1.00 0.00 O ATOM 932 CB GLN A 64 -6.382 -6.988 -3.127 1.00 0.00 C ATOM 933 CG GLN A 64 -7.264 -8.217 -2.974 1.00 0.00 C ATOM 934 CD GLN A 64 -7.798 -8.721 -4.300 1.00 0.00 C ATOM 935 OE1 GLN A 64 -7.045 -8.902 -5.257 1.00 0.00 O ATOM 936 NE2 GLN A 64 -9.105 -8.951 -4.363 1.00 0.00 N ATOM 0 H GLN A 64 -4.202 -7.138 -1.575 1.00 0.00 H new ATOM 0 HA GLN A 64 -4.952 -8.115 -4.268 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -6.372 -6.438 -2.186 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.819 -6.328 -3.877 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.694 -9.011 -2.491 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -8.100 -7.980 -2.316 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -9.692 -8.787 -3.545 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -9.522 -9.292 -5.229 1.00 0.00 H new ATOM 945 N ASP A 65 -4.885 -5.583 -5.225 1.00 0.00 N ATOM 946 CA ASP A 65 -4.358 -4.411 -5.915 1.00 0.00 C ATOM 947 C ASP A 65 -5.491 -3.548 -6.461 1.00 0.00 C ATOM 948 O ASP A 65 -6.487 -4.062 -6.971 1.00 0.00 O ATOM 949 CB ASP A 65 -3.431 -4.838 -7.054 1.00 0.00 C ATOM 950 CG ASP A 65 -4.188 -5.167 -8.325 1.00 0.00 C ATOM 951 OD1 ASP A 65 -4.563 -4.224 -9.053 1.00 0.00 O ATOM 952 OD2 ASP A 65 -4.406 -6.368 -8.592 1.00 0.00 O ATOM 0 H ASP A 65 -5.736 -5.967 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 65 -3.790 -3.821 -5.196 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -2.717 -4.039 -7.256 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.855 -5.709 -6.742 1.00 0.00 H new ATOM 957 N VAL A 66 -5.333 -2.233 -6.350 1.00 0.00 N ATOM 958 CA VAL A 66 -6.342 -1.298 -6.833 1.00 0.00 C ATOM 959 C VAL A 66 -5.704 -0.163 -7.627 1.00 0.00 C ATOM 960 O VAL A 66 -4.670 0.378 -7.235 1.00 0.00 O ATOM 961 CB VAL A 66 -7.156 -0.701 -5.670 1.00 0.00 C ATOM 962 CG1 VAL A 66 -7.935 -1.791 -4.949 1.00 0.00 C ATOM 963 CG2 VAL A 66 -6.243 0.040 -4.705 1.00 0.00 C ATOM 0 H VAL A 66 -4.516 -1.791 -5.930 1.00 0.00 H new ATOM 0 HA VAL A 66 -7.011 -1.862 -7.483 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.870 0.014 -6.079 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -8.504 -1.351 -4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -8.618 -2.273 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -7.241 -2.532 -4.551 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.835 0.455 -3.890 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -5.503 -0.651 -4.301 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -5.735 0.848 -5.232 1.00 0.00 H new ATOM 973 N ASP A 67 -6.329 0.193 -8.744 1.00 0.00 N ATOM 974 CA ASP A 67 -5.823 1.266 -9.593 1.00 0.00 C ATOM 975 C ASP A 67 -6.162 2.631 -9.004 1.00 0.00 C ATOM 976 O ASP A 67 -7.332 2.996 -8.885 1.00 0.00 O ATOM 977 CB ASP A 67 -6.406 1.146 -11.003 1.00 0.00 C ATOM 978 CG ASP A 67 -5.766 2.115 -11.978 1.00 0.00 C ATOM 979 OD1 ASP A 67 -5.829 3.336 -11.728 1.00 0.00 O ATOM 980 OD2 ASP A 67 -5.202 1.651 -12.991 1.00 0.00 O ATOM 0 H ASP A 67 -7.186 -0.245 -9.083 1.00 0.00 H new ATOM 0 HA ASP A 67 -4.738 1.173 -9.647 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.268 0.127 -11.365 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.480 1.329 -10.966 1.00 0.00 H new ATOM 985 N VAL A 68 -5.129 3.382 -8.633 1.00 0.00 N ATOM 986 CA VAL A 68 -5.317 4.708 -8.055 1.00 0.00 C ATOM 987 C VAL A 68 -4.654 5.780 -8.913 1.00 0.00 C ATOM 988 O VAL A 68 -3.464 5.698 -9.217 1.00 0.00 O ATOM 989 CB VAL A 68 -4.746 4.783 -6.627 1.00 0.00 C ATOM 990 CG1 VAL A 68 -4.893 6.189 -6.066 1.00 0.00 C ATOM 991 CG2 VAL A 68 -5.430 3.766 -5.726 1.00 0.00 C ATOM 0 H VAL A 68 -4.154 3.095 -8.722 1.00 0.00 H new ATOM 0 HA VAL A 68 -6.391 4.889 -8.019 1.00 0.00 H new ATOM 0 HB VAL A 68 -3.683 4.543 -6.666 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.484 6.222 -5.056 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -4.353 6.892 -6.700 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -5.948 6.462 -6.039 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -5.014 3.833 -4.721 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -6.500 3.972 -5.691 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.267 2.763 -6.120 1.00 0.00 H new ATOM 1001 N SER A 69 -5.432 6.785 -9.300 1.00 0.00 N ATOM 1002 CA SER A 69 -4.922 7.873 -10.126 1.00 0.00 C ATOM 1003 C SER A 69 -4.672 9.122 -9.286 1.00 0.00 C ATOM 1004 O SER A 69 -5.133 10.213 -9.623 1.00 0.00 O ATOM 1005 CB SER A 69 -5.906 8.191 -11.254 1.00 0.00 C ATOM 1006 OG SER A 69 -5.901 7.171 -12.237 1.00 0.00 O ATOM 0 H SER A 69 -6.419 6.869 -9.055 1.00 0.00 H new ATOM 0 HA SER A 69 -3.975 7.553 -10.560 1.00 0.00 H new ATOM 0 HB2 SER A 69 -6.910 8.301 -10.845 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.643 9.144 -11.713 1.00 0.00 H new ATOM 0 HG SER A 69 -6.539 7.397 -12.946 1.00 0.00 H new ATOM 1012 N SER A 70 -3.940 8.954 -8.190 1.00 0.00 N ATOM 1013 CA SER A 70 -3.632 10.066 -7.298 1.00 0.00 C ATOM 1014 C SER A 70 -2.640 9.639 -6.220 1.00 0.00 C ATOM 1015 O SER A 70 -2.294 8.462 -6.110 1.00 0.00 O ATOM 1016 CB SER A 70 -4.911 10.596 -6.649 1.00 0.00 C ATOM 1017 OG SER A 70 -4.804 11.981 -6.367 1.00 0.00 O ATOM 0 H SER A 70 -3.549 8.058 -7.898 1.00 0.00 H new ATOM 0 HA SER A 70 -3.178 10.860 -7.891 1.00 0.00 H new ATOM 0 HB2 SER A 70 -5.758 10.421 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 70 -5.109 10.048 -5.728 1.00 0.00 H new ATOM 0 HG SER A 70 -5.635 12.296 -5.954 1.00 0.00 H new ATOM 1023 N HIS A 71 -2.186 10.604 -5.427 1.00 0.00 N ATOM 1024 CA HIS A 71 -1.234 10.330 -4.357 1.00 0.00 C ATOM 1025 C HIS A 71 -1.911 9.594 -3.203 1.00 0.00 C ATOM 1026 O HIS A 71 -1.270 8.832 -2.480 1.00 0.00 O ATOM 1027 CB HIS A 71 -0.613 11.632 -3.851 1.00 0.00 C ATOM 1028 CG HIS A 71 0.465 12.166 -4.743 1.00 0.00 C ATOM 1029 ND1 HIS A 71 0.591 13.504 -5.054 1.00 0.00 N ATOM 1030 CD2 HIS A 71 1.473 11.535 -5.390 1.00 0.00 C ATOM 1031 CE1 HIS A 71 1.627 13.672 -5.856 1.00 0.00 C ATOM 1032 NE2 HIS A 71 2.181 12.493 -6.074 1.00 0.00 N ATOM 0 H HIS A 71 -2.462 11.583 -5.505 1.00 0.00 H new ATOM 0 HA HIS A 71 -0.446 9.693 -4.760 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -1.396 12.384 -3.751 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -0.201 11.466 -2.856 1.00 0.00 H new ATOM 0 HD1 HIS A 71 -0.020 14.248 -4.717 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.682 10.476 -5.372 1.00 0.00 H new ATOM 0 HE1 HIS A 71 1.964 14.613 -6.264 1.00 0.00 H new ATOM 1041 N SER A 72 -3.209 9.829 -3.038 1.00 0.00 N ATOM 1042 CA SER A 72 -3.971 9.192 -1.970 1.00 0.00 C ATOM 1043 C SER A 72 -5.236 8.541 -2.520 1.00 0.00 C ATOM 1044 O SER A 72 -5.788 8.983 -3.528 1.00 0.00 O ATOM 1045 CB SER A 72 -4.336 10.218 -0.895 1.00 0.00 C ATOM 1046 OG SER A 72 -5.528 9.849 -0.224 1.00 0.00 O ATOM 0 H SER A 72 -3.755 10.455 -3.630 1.00 0.00 H new ATOM 0 HA SER A 72 -3.349 8.416 -1.525 1.00 0.00 H new ATOM 0 HB2 SER A 72 -3.521 10.302 -0.176 1.00 0.00 H new ATOM 0 HB3 SER A 72 -4.461 11.200 -1.352 1.00 0.00 H new ATOM 0 HG SER A 72 -5.408 8.973 0.199 1.00 0.00 H new ATOM 1052 N TYR A 73 -5.691 7.489 -1.850 1.00 0.00 N ATOM 1053 CA TYR A 73 -6.890 6.774 -2.271 1.00 0.00 C ATOM 1054 C TYR A 73 -7.757 6.409 -1.070 1.00 0.00 C ATOM 1055 O TYR A 73 -7.344 6.564 0.080 1.00 0.00 O ATOM 1056 CB TYR A 73 -6.510 5.509 -3.043 1.00 0.00 C ATOM 1057 CG TYR A 73 -7.697 4.780 -3.632 1.00 0.00 C ATOM 1058 CD1 TYR A 73 -8.333 5.255 -4.772 1.00 0.00 C ATOM 1059 CD2 TYR A 73 -8.181 3.616 -3.048 1.00 0.00 C ATOM 1060 CE1 TYR A 73 -9.418 4.592 -5.313 1.00 0.00 C ATOM 1061 CE2 TYR A 73 -9.265 2.946 -3.583 1.00 0.00 C ATOM 1062 CZ TYR A 73 -9.880 3.438 -4.715 1.00 0.00 C ATOM 1063 OH TYR A 73 -10.960 2.774 -5.251 1.00 0.00 O ATOM 0 H TYR A 73 -5.248 7.112 -1.012 1.00 0.00 H new ATOM 0 HA TYR A 73 -7.464 7.432 -2.924 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.823 5.776 -3.846 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.974 4.834 -2.376 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -7.973 6.158 -5.243 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -7.702 3.228 -2.161 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -9.902 4.975 -6.199 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -9.628 2.042 -3.117 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.157 1.980 -4.711 1.00 0.00 H new ATOM 1073 N THR A 74 -8.963 5.923 -1.345 1.00 0.00 N ATOM 1074 CA THR A 74 -9.891 5.536 -0.290 1.00 0.00 C ATOM 1075 C THR A 74 -10.529 4.184 -0.587 1.00 0.00 C ATOM 1076 O THR A 74 -11.244 4.029 -1.577 1.00 0.00 O ATOM 1077 CB THR A 74 -11.002 6.586 -0.105 1.00 0.00 C ATOM 1078 OG1 THR A 74 -10.431 7.840 0.285 1.00 0.00 O ATOM 1079 CG2 THR A 74 -12.007 6.133 0.943 1.00 0.00 C ATOM 0 H THR A 74 -9.320 5.788 -2.291 1.00 0.00 H new ATOM 0 HA THR A 74 -9.311 5.466 0.630 1.00 0.00 H new ATOM 0 HB THR A 74 -11.521 6.704 -1.056 1.00 0.00 H new ATOM 0 HG1 THR A 74 -11.144 8.503 0.399 1.00 0.00 H new ATOM 0 HG21 THR A 74 -12.782 6.891 1.056 1.00 0.00 H new ATOM 0 HG22 THR A 74 -12.462 5.193 0.629 1.00 0.00 H new ATOM 0 HG23 THR A 74 -11.499 5.989 1.896 1.00 0.00 H new ATOM 1087 N ILE A 75 -10.267 3.208 0.277 1.00 0.00 N ATOM 1088 CA ILE A 75 -10.818 1.870 0.107 1.00 0.00 C ATOM 1089 C ILE A 75 -12.008 1.643 1.034 1.00 0.00 C ATOM 1090 O ILE A 75 -11.863 1.641 2.256 1.00 0.00 O ATOM 1091 CB ILE A 75 -9.758 0.786 0.376 1.00 0.00 C ATOM 1092 CG1 ILE A 75 -8.620 0.892 -0.641 1.00 0.00 C ATOM 1093 CG2 ILE A 75 -10.391 -0.597 0.329 1.00 0.00 C ATOM 1094 CD1 ILE A 75 -7.342 0.220 -0.190 1.00 0.00 C ATOM 0 H ILE A 75 -9.677 3.320 1.101 1.00 0.00 H new ATOM 0 HA ILE A 75 -11.148 1.794 -0.929 1.00 0.00 H new ATOM 0 HB ILE A 75 -9.345 0.941 1.373 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.942 0.447 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -8.417 1.945 -0.839 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -9.629 -1.353 0.521 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -11.170 -0.666 1.088 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -10.828 -0.764 -0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -6.579 0.335 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -6.996 0.680 0.735 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -7.529 -0.840 -0.020 1.00 0.00 H new ATOM 1106 N ASN A 76 -13.183 1.451 0.444 1.00 0.00 N ATOM 1107 CA ASN A 76 -14.398 1.221 1.217 1.00 0.00 C ATOM 1108 C ASN A 76 -14.823 -0.242 1.142 1.00 0.00 C ATOM 1109 O ASN A 76 -14.456 -0.959 0.211 1.00 0.00 O ATOM 1110 CB ASN A 76 -15.528 2.119 0.709 1.00 0.00 C ATOM 1111 CG ASN A 76 -15.524 2.254 -0.801 1.00 0.00 C ATOM 1112 OD1 ASN A 76 -15.410 1.263 -1.524 1.00 0.00 O ATOM 1113 ND2 ASN A 76 -15.650 3.484 -1.286 1.00 0.00 N ATOM 0 H ASN A 76 -13.320 1.450 -0.567 1.00 0.00 H new ATOM 0 HA ASN A 76 -14.188 1.466 2.258 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -16.486 1.711 1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -15.434 3.107 1.160 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -15.655 3.637 -2.295 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -15.742 4.276 -0.650 1.00 0.00 H new ATOM 1120 N GLY A 77 -15.600 -0.679 2.128 1.00 0.00 N ATOM 1121 CA GLY A 77 -16.062 -2.054 2.155 1.00 0.00 C ATOM 1122 C GLY A 77 -15.132 -2.964 2.932 1.00 0.00 C ATOM 1123 O GLY A 77 -14.677 -3.987 2.416 1.00 0.00 O ATOM 0 H GLY A 77 -15.918 -0.105 2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -17.056 -2.091 2.600 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -16.156 -2.422 1.133 1.00 0.00 H new ATOM 1127 N LEU A 78 -14.845 -2.593 4.174 1.00 0.00 N ATOM 1128 CA LEU A 78 -13.960 -3.383 5.024 1.00 0.00 C ATOM 1129 C LEU A 78 -14.657 -3.771 6.324 1.00 0.00 C ATOM 1130 O LEU A 78 -15.768 -3.319 6.605 1.00 0.00 O ATOM 1131 CB LEU A 78 -12.683 -2.600 5.331 1.00 0.00 C ATOM 1132 CG LEU A 78 -11.964 -1.990 4.127 1.00 0.00 C ATOM 1133 CD1 LEU A 78 -10.830 -1.085 4.584 1.00 0.00 C ATOM 1134 CD2 LEU A 78 -11.438 -3.084 3.210 1.00 0.00 C ATOM 0 H LEU A 78 -15.212 -1.750 4.616 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.699 -4.295 4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -12.931 -1.798 6.026 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -11.988 -3.264 5.846 1.00 0.00 H new ATOM 0 HG LEU A 78 -12.680 -1.387 3.568 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -10.330 -0.660 3.713 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -11.232 -0.281 5.200 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -10.114 -1.665 5.166 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -10.929 -2.632 2.359 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -10.737 -3.713 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.270 -3.692 2.854 1.00 0.00 H new ATOM 1146 N LYS A 79 -13.998 -4.609 7.116 1.00 0.00 N ATOM 1147 CA LYS A 79 -14.551 -5.056 8.389 1.00 0.00 C ATOM 1148 C LYS A 79 -14.356 -3.997 9.469 1.00 0.00 C ATOM 1149 O LYS A 79 -13.394 -3.229 9.433 1.00 0.00 O ATOM 1150 CB LYS A 79 -13.893 -6.368 8.822 1.00 0.00 C ATOM 1151 CG LYS A 79 -14.363 -7.575 8.029 1.00 0.00 C ATOM 1152 CD LYS A 79 -13.932 -8.876 8.685 1.00 0.00 C ATOM 1153 CE LYS A 79 -12.568 -9.327 8.187 1.00 0.00 C ATOM 1154 NZ LYS A 79 -11.927 -10.292 9.124 1.00 0.00 N ATOM 0 H LYS A 79 -13.078 -4.993 6.898 1.00 0.00 H new ATOM 0 HA LYS A 79 -15.620 -5.220 8.254 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -12.812 -6.274 8.718 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -14.098 -6.536 9.879 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.449 -7.553 7.941 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.960 -7.526 7.017 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -13.901 -8.746 9.767 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -14.670 -9.651 8.478 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -12.674 -9.789 7.206 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -11.922 -8.458 8.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -11.368 -10.982 8.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -11.303 -9.778 9.779 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -12.662 -10.790 9.665 1.00 0.00 H new ATOM 1168 N LYS A 80 -15.273 -3.962 10.429 1.00 0.00 N ATOM 1169 CA LYS A 80 -15.202 -2.999 11.522 1.00 0.00 C ATOM 1170 C LYS A 80 -14.180 -3.436 12.566 1.00 0.00 C ATOM 1171 O LYS A 80 -14.032 -4.627 12.843 1.00 0.00 O ATOM 1172 CB LYS A 80 -16.576 -2.834 12.174 1.00 0.00 C ATOM 1173 CG LYS A 80 -17.441 -1.776 11.511 1.00 0.00 C ATOM 1174 CD LYS A 80 -18.918 -2.118 11.616 1.00 0.00 C ATOM 1175 CE LYS A 80 -19.702 -1.575 10.431 1.00 0.00 C ATOM 1176 NZ LYS A 80 -19.760 -2.553 9.309 1.00 0.00 N ATOM 0 H LYS A 80 -16.075 -4.590 10.473 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.886 -2.041 11.109 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -17.100 -3.790 12.145 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -16.442 -2.576 13.224 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -17.256 -0.809 11.978 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.162 -1.682 10.462 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -19.039 -3.200 11.669 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -19.323 -1.707 12.541 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -20.715 -1.326 10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.241 -0.650 10.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -20.303 -2.145 8.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.795 -2.771 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -20.223 -3.426 9.633 1.00 0.00 H new ATOM 1190 N TYR A 81 -13.480 -2.467 13.144 1.00 0.00 N ATOM 1191 CA TYR A 81 -12.471 -2.752 14.158 1.00 0.00 C ATOM 1192 C TYR A 81 -11.543 -3.874 13.703 1.00 0.00 C ATOM 1193 O TYR A 81 -11.216 -4.778 14.473 1.00 0.00 O ATOM 1194 CB TYR A 81 -13.141 -3.134 15.480 1.00 0.00 C ATOM 1195 CG TYR A 81 -12.209 -3.076 16.669 1.00 0.00 C ATOM 1196 CD1 TYR A 81 -11.565 -1.894 17.015 1.00 0.00 C ATOM 1197 CD2 TYR A 81 -11.975 -4.202 17.449 1.00 0.00 C ATOM 1198 CE1 TYR A 81 -10.713 -1.837 18.100 1.00 0.00 C ATOM 1199 CE2 TYR A 81 -11.125 -4.153 18.537 1.00 0.00 C ATOM 1200 CZ TYR A 81 -10.496 -2.968 18.858 1.00 0.00 C ATOM 1201 OH TYR A 81 -9.649 -2.914 19.941 1.00 0.00 O ATOM 0 H TYR A 81 -13.592 -1.476 12.928 1.00 0.00 H new ATOM 0 HA TYR A 81 -11.876 -1.851 14.306 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -13.984 -2.466 15.657 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -13.546 -4.143 15.395 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.734 -1.005 16.425 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.466 -5.131 17.200 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -10.219 -0.911 18.354 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -10.954 -5.037 19.133 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.607 -3.795 20.368 1.00 0.00 H new ATOM 1211 N THR A 82 -11.121 -3.809 12.444 1.00 0.00 N ATOM 1212 CA THR A 82 -10.230 -4.818 11.883 1.00 0.00 C ATOM 1213 C THR A 82 -9.010 -4.175 11.235 1.00 0.00 C ATOM 1214 O THR A 82 -9.119 -3.148 10.567 1.00 0.00 O ATOM 1215 CB THR A 82 -10.954 -5.687 10.838 1.00 0.00 C ATOM 1216 OG1 THR A 82 -11.966 -6.476 11.473 1.00 0.00 O ATOM 1217 CG2 THR A 82 -9.972 -6.598 10.117 1.00 0.00 C ATOM 0 H THR A 82 -11.382 -3.068 11.793 1.00 0.00 H new ATOM 0 HA THR A 82 -9.907 -5.450 12.710 1.00 0.00 H new ATOM 0 HB THR A 82 -11.416 -5.025 10.105 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.617 -5.886 11.907 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.507 -7.202 9.384 1.00 0.00 H new ATOM 0 HG22 THR A 82 -9.220 -5.994 9.610 1.00 0.00 H new ATOM 0 HG23 THR A 82 -9.485 -7.252 10.840 1.00 0.00 H new ATOM 1225 N GLU A 83 -7.847 -4.787 11.437 1.00 0.00 N ATOM 1226 CA GLU A 83 -6.605 -4.273 10.872 1.00 0.00 C ATOM 1227 C GLU A 83 -6.483 -4.646 9.397 1.00 0.00 C ATOM 1228 O GLU A 83 -6.981 -5.686 8.965 1.00 0.00 O ATOM 1229 CB GLU A 83 -5.403 -4.815 11.647 1.00 0.00 C ATOM 1230 CG GLU A 83 -4.170 -3.931 11.556 1.00 0.00 C ATOM 1231 CD GLU A 83 -3.023 -4.439 12.407 1.00 0.00 C ATOM 1232 OE1 GLU A 83 -2.714 -5.646 12.328 1.00 0.00 O ATOM 1233 OE2 GLU A 83 -2.434 -3.628 13.153 1.00 0.00 O ATOM 0 H GLU A 83 -7.739 -5.639 11.987 1.00 0.00 H new ATOM 0 HA GLU A 83 -6.621 -3.186 10.954 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -5.680 -4.931 12.695 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -5.156 -5.808 11.270 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -3.847 -3.870 10.517 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -4.429 -2.919 11.869 1.00 0.00 H new ATOM 1240 N TYR A 84 -5.819 -3.789 8.630 1.00 0.00 N ATOM 1241 CA TYR A 84 -5.634 -4.026 7.203 1.00 0.00 C ATOM 1242 C TYR A 84 -4.278 -3.504 6.735 1.00 0.00 C ATOM 1243 O TYR A 84 -3.905 -2.367 7.025 1.00 0.00 O ATOM 1244 CB TYR A 84 -6.753 -3.357 6.404 1.00 0.00 C ATOM 1245 CG TYR A 84 -8.049 -4.136 6.409 1.00 0.00 C ATOM 1246 CD1 TYR A 84 -8.227 -5.233 5.575 1.00 0.00 C ATOM 1247 CD2 TYR A 84 -9.096 -3.775 7.248 1.00 0.00 C ATOM 1248 CE1 TYR A 84 -9.410 -5.946 5.576 1.00 0.00 C ATOM 1249 CE2 TYR A 84 -10.282 -4.483 7.257 1.00 0.00 C ATOM 1250 CZ TYR A 84 -10.434 -5.568 6.419 1.00 0.00 C ATOM 1251 OH TYR A 84 -11.613 -6.277 6.424 1.00 0.00 O ATOM 0 H TYR A 84 -5.400 -2.924 8.972 1.00 0.00 H new ATOM 0 HA TYR A 84 -5.668 -5.102 7.032 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -6.935 -2.363 6.812 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -6.423 -3.224 5.374 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.427 -5.533 4.915 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -8.980 -2.926 7.905 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -9.532 -6.795 4.920 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -11.085 -4.189 7.916 1.00 0.00 H new ATOM 0 HH TYR A 84 -11.434 -7.212 6.191 1.00 0.00 H new ATOM 1261 N SER A 85 -3.546 -4.344 6.010 1.00 0.00 N ATOM 1262 CA SER A 85 -2.231 -3.970 5.504 1.00 0.00 C ATOM 1263 C SER A 85 -2.353 -3.178 4.206 1.00 0.00 C ATOM 1264 O SER A 85 -3.185 -3.488 3.352 1.00 0.00 O ATOM 1265 CB SER A 85 -1.376 -5.218 5.275 1.00 0.00 C ATOM 1266 OG SER A 85 0.003 -4.924 5.418 1.00 0.00 O ATOM 0 H SER A 85 -3.841 -5.288 5.760 1.00 0.00 H new ATOM 0 HA SER A 85 -1.748 -3.339 6.250 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.661 -5.994 5.986 1.00 0.00 H new ATOM 0 HB3 SER A 85 -1.565 -5.614 4.277 1.00 0.00 H new ATOM 0 HG SER A 85 0.534 -5.641 5.013 1.00 0.00 H new ATOM 1272 N PHE A 86 -1.517 -2.155 4.063 1.00 0.00 N ATOM 1273 CA PHE A 86 -1.531 -1.317 2.870 1.00 0.00 C ATOM 1274 C PHE A 86 -0.111 -1.026 2.393 1.00 0.00 C ATOM 1275 O PHE A 86 0.793 -0.806 3.200 1.00 0.00 O ATOM 1276 CB PHE A 86 -2.266 -0.005 3.150 1.00 0.00 C ATOM 1277 CG PHE A 86 -3.732 -0.186 3.426 1.00 0.00 C ATOM 1278 CD1 PHE A 86 -4.612 -0.481 2.397 1.00 0.00 C ATOM 1279 CD2 PHE A 86 -4.229 -0.061 4.713 1.00 0.00 C ATOM 1280 CE1 PHE A 86 -5.961 -0.647 2.648 1.00 0.00 C ATOM 1281 CE2 PHE A 86 -5.577 -0.227 4.969 1.00 0.00 C ATOM 1282 CZ PHE A 86 -6.444 -0.521 3.935 1.00 0.00 C ATOM 0 H PHE A 86 -0.821 -1.886 4.759 1.00 0.00 H new ATOM 0 HA PHE A 86 -2.056 -1.858 2.083 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.802 0.487 4.005 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -2.145 0.660 2.295 1.00 0.00 H new ATOM 0 HD1 PHE A 86 -4.240 -0.582 1.388 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -3.556 0.169 5.525 1.00 0.00 H new ATOM 0 HE1 PHE A 86 -6.637 -0.875 1.837 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -5.952 -0.127 5.977 1.00 0.00 H new ATOM 0 HZ PHE A 86 -7.498 -0.652 4.133 1.00 0.00 H new ATOM 1292 N ARG A 87 0.077 -1.026 1.078 1.00 0.00 N ATOM 1293 CA ARG A 87 1.386 -0.764 0.493 1.00 0.00 C ATOM 1294 C ARG A 87 1.249 -0.062 -0.855 1.00 0.00 C ATOM 1295 O ARG A 87 0.190 -0.099 -1.481 1.00 0.00 O ATOM 1296 CB ARG A 87 2.163 -2.071 0.322 1.00 0.00 C ATOM 1297 CG ARG A 87 1.646 -2.944 -0.809 1.00 0.00 C ATOM 1298 CD ARG A 87 2.757 -3.786 -1.416 1.00 0.00 C ATOM 1299 NE ARG A 87 2.242 -4.995 -2.054 1.00 0.00 N ATOM 1300 CZ ARG A 87 3.015 -5.987 -2.481 1.00 0.00 C ATOM 1301 NH1 ARG A 87 4.331 -5.915 -2.338 1.00 0.00 N ATOM 1302 NH2 ARG A 87 2.471 -7.055 -3.051 1.00 0.00 N ATOM 0 H ARG A 87 -0.661 -1.205 0.397 1.00 0.00 H new ATOM 0 HA ARG A 87 1.934 -0.109 1.171 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.212 -1.839 0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.119 -2.635 1.254 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.857 -3.596 -0.435 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.201 -2.316 -1.581 1.00 0.00 H new ATOM 0 HD2 ARG A 87 3.301 -3.192 -2.150 1.00 0.00 H new ATOM 0 HD3 ARG A 87 3.469 -4.062 -0.638 1.00 0.00 H new ATOM 0 HE ARG A 87 1.233 -5.082 -2.178 1.00 0.00 H new ATOM 0 HH11 ARG A 87 4.752 -5.096 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 87 4.922 -6.678 -2.667 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.459 -7.114 -3.161 1.00 0.00 H new ATOM 0 HH22 ARG A 87 3.065 -7.817 -3.379 1.00 0.00 H new ATOM 1316 N VAL A 88 2.328 0.578 -1.295 1.00 0.00 N ATOM 1317 CA VAL A 88 2.328 1.289 -2.569 1.00 0.00 C ATOM 1318 C VAL A 88 3.516 0.873 -3.429 1.00 0.00 C ATOM 1319 O VAL A 88 4.625 0.686 -2.928 1.00 0.00 O ATOM 1320 CB VAL A 88 2.369 2.814 -2.360 1.00 0.00 C ATOM 1321 CG1 VAL A 88 2.388 3.536 -3.699 1.00 0.00 C ATOM 1322 CG2 VAL A 88 1.186 3.268 -1.517 1.00 0.00 C ATOM 0 H VAL A 88 3.213 0.619 -0.789 1.00 0.00 H new ATOM 0 HA VAL A 88 1.402 1.025 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 88 3.285 3.066 -1.825 1.00 0.00 H new ATOM 0 HG11 VAL A 88 2.417 4.613 -3.531 1.00 0.00 H new ATOM 0 HG12 VAL A 88 3.270 3.233 -4.263 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.491 3.281 -4.263 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.231 4.348 -1.379 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.257 3.005 -2.022 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.222 2.776 -0.545 1.00 0.00 H new ATOM 1332 N VAL A 89 3.276 0.729 -4.729 1.00 0.00 N ATOM 1333 CA VAL A 89 4.326 0.337 -5.661 1.00 0.00 C ATOM 1334 C VAL A 89 4.389 1.288 -6.851 1.00 0.00 C ATOM 1335 O VAL A 89 3.362 1.655 -7.421 1.00 0.00 O ATOM 1336 CB VAL A 89 4.111 -1.099 -6.177 1.00 0.00 C ATOM 1337 CG1 VAL A 89 5.149 -1.448 -7.232 1.00 0.00 C ATOM 1338 CG2 VAL A 89 4.155 -2.091 -5.024 1.00 0.00 C ATOM 0 H VAL A 89 2.364 0.878 -5.160 1.00 0.00 H new ATOM 0 HA VAL A 89 5.267 0.382 -5.114 1.00 0.00 H new ATOM 0 HB VAL A 89 3.125 -1.157 -6.639 1.00 0.00 H new ATOM 0 HG11 VAL A 89 4.981 -2.466 -7.585 1.00 0.00 H new ATOM 0 HG12 VAL A 89 5.064 -0.755 -8.069 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.147 -1.374 -6.799 1.00 0.00 H new ATOM 0 HG21 VAL A 89 4.001 -3.100 -5.406 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.126 -2.033 -4.531 1.00 0.00 H new ATOM 0 HG23 VAL A 89 3.370 -1.851 -4.307 1.00 0.00 H new ATOM 1348 N ALA A 90 5.602 1.685 -7.221 1.00 0.00 N ATOM 1349 CA ALA A 90 5.800 2.592 -8.344 1.00 0.00 C ATOM 1350 C ALA A 90 5.905 1.825 -9.658 1.00 0.00 C ATOM 1351 O ALA A 90 6.577 0.796 -9.735 1.00 0.00 O ATOM 1352 CB ALA A 90 7.044 3.440 -8.125 1.00 0.00 C ATOM 0 H ALA A 90 6.463 1.392 -6.759 1.00 0.00 H new ATOM 0 HA ALA A 90 4.932 3.249 -8.405 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.179 4.113 -8.972 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.930 4.024 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 90 7.915 2.791 -8.034 1.00 0.00 H new ATOM 1358 N TYR A 91 5.236 2.331 -10.688 1.00 0.00 N ATOM 1359 CA TYR A 91 5.252 1.690 -11.998 1.00 0.00 C ATOM 1360 C TYR A 91 5.614 2.692 -13.090 1.00 0.00 C ATOM 1361 O TYR A 91 4.845 3.605 -13.390 1.00 0.00 O ATOM 1362 CB TYR A 91 3.890 1.062 -12.298 1.00 0.00 C ATOM 1363 CG TYR A 91 3.706 -0.307 -11.683 1.00 0.00 C ATOM 1364 CD1 TYR A 91 4.209 -1.443 -12.305 1.00 0.00 C ATOM 1365 CD2 TYR A 91 3.027 -0.465 -10.481 1.00 0.00 C ATOM 1366 CE1 TYR A 91 4.043 -2.696 -11.747 1.00 0.00 C ATOM 1367 CE2 TYR A 91 2.858 -1.714 -9.915 1.00 0.00 C ATOM 1368 CZ TYR A 91 3.367 -2.826 -10.552 1.00 0.00 C ATOM 1369 OH TYR A 91 3.199 -4.072 -9.993 1.00 0.00 O ATOM 0 H TYR A 91 4.676 3.182 -10.641 1.00 0.00 H new ATOM 0 HA TYR A 91 6.010 0.907 -11.982 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.105 1.724 -11.932 1.00 0.00 H new ATOM 0 HB3 TYR A 91 3.764 0.986 -13.378 1.00 0.00 H new ATOM 0 HD1 TYR A 91 4.739 -1.345 -13.241 1.00 0.00 H new ATOM 0 HD2 TYR A 91 2.624 0.403 -9.981 1.00 0.00 H new ATOM 0 HE1 TYR A 91 4.440 -3.569 -12.244 1.00 0.00 H new ATOM 0 HE2 TYR A 91 2.330 -1.819 -8.979 1.00 0.00 H new ATOM 0 HH TYR A 91 2.703 -3.989 -9.152 1.00 0.00 H new ATOM 1379 N ASN A 92 6.791 2.514 -13.681 1.00 0.00 N ATOM 1380 CA ASN A 92 7.256 3.402 -14.740 1.00 0.00 C ATOM 1381 C ASN A 92 7.786 2.602 -15.927 1.00 0.00 C ATOM 1382 O ASN A 92 8.040 1.403 -15.817 1.00 0.00 O ATOM 1383 CB ASN A 92 8.349 4.333 -14.210 1.00 0.00 C ATOM 1384 CG ASN A 92 9.625 3.589 -13.867 1.00 0.00 C ATOM 1385 OD1 ASN A 92 9.823 2.448 -14.283 1.00 0.00 O ATOM 1386 ND2 ASN A 92 10.499 4.236 -13.104 1.00 0.00 N ATOM 0 H ASN A 92 7.440 1.763 -13.445 1.00 0.00 H new ATOM 0 HA ASN A 92 6.409 4.000 -15.076 1.00 0.00 H new ATOM 0 HB2 ASN A 92 8.566 5.096 -14.957 1.00 0.00 H new ATOM 0 HB3 ASN A 92 7.983 4.850 -13.323 1.00 0.00 H new ATOM 0 HD21 ASN A 92 11.376 3.787 -12.840 1.00 0.00 H new ATOM 0 HD22 ASN A 92 10.293 5.182 -12.782 1.00 0.00 H new ATOM 1393 N LYS A 93 7.949 3.275 -17.061 1.00 0.00 N ATOM 1394 CA LYS A 93 8.450 2.629 -18.268 1.00 0.00 C ATOM 1395 C LYS A 93 9.483 1.560 -17.926 1.00 0.00 C ATOM 1396 O LYS A 93 9.410 0.433 -18.416 1.00 0.00 O ATOM 1397 CB LYS A 93 9.067 3.668 -19.208 1.00 0.00 C ATOM 1398 CG LYS A 93 10.165 4.495 -18.562 1.00 0.00 C ATOM 1399 CD LYS A 93 10.462 5.751 -19.365 1.00 0.00 C ATOM 1400 CE LYS A 93 11.261 6.757 -18.551 1.00 0.00 C ATOM 1401 NZ LYS A 93 11.675 7.930 -19.370 1.00 0.00 N ATOM 0 H LYS A 93 7.741 4.268 -17.169 1.00 0.00 H new ATOM 0 HA LYS A 93 7.609 2.148 -18.768 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.473 3.159 -20.082 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.282 4.336 -19.564 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.867 4.771 -17.550 1.00 0.00 H new ATOM 0 HG3 LYS A 93 11.071 3.895 -18.475 1.00 0.00 H new ATOM 0 HD2 LYS A 93 11.018 5.486 -20.265 1.00 0.00 H new ATOM 0 HD3 LYS A 93 9.526 6.206 -19.690 1.00 0.00 H new ATOM 0 HE2 LYS A 93 10.663 7.097 -17.706 1.00 0.00 H new ATOM 0 HE3 LYS A 93 12.146 6.271 -18.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 12.217 8.592 -18.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 12.267 7.609 -20.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 10.830 8.410 -19.742 1.00 0.00 H new ATOM 1415 N HIS A 94 10.443 1.921 -17.081 1.00 0.00 N ATOM 1416 CA HIS A 94 11.489 0.991 -16.671 1.00 0.00 C ATOM 1417 C HIS A 94 10.887 -0.307 -16.143 1.00 0.00 C ATOM 1418 O HIS A 94 11.021 -1.362 -16.761 1.00 0.00 O ATOM 1419 CB HIS A 94 12.376 1.628 -15.600 1.00 0.00 C ATOM 1420 CG HIS A 94 12.795 3.029 -15.925 1.00 0.00 C ATOM 1421 ND1 HIS A 94 14.061 3.354 -16.363 1.00 0.00 N ATOM 1422 CD2 HIS A 94 12.106 4.193 -15.875 1.00 0.00 C ATOM 1423 CE1 HIS A 94 14.134 4.657 -16.566 1.00 0.00 C ATOM 1424 NE2 HIS A 94 12.960 5.190 -16.278 1.00 0.00 N ATOM 0 H HIS A 94 10.518 2.850 -16.667 1.00 0.00 H new ATOM 0 HA HIS A 94 12.097 0.759 -17.545 1.00 0.00 H new ATOM 0 HB2 HIS A 94 11.841 1.629 -14.650 1.00 0.00 H new ATOM 0 HB3 HIS A 94 13.266 1.014 -15.464 1.00 0.00 H new ATOM 0 HD1 HIS A 94 14.823 2.691 -16.508 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.076 4.315 -15.574 1.00 0.00 H new ATOM 0 HE1 HIS A 94 15.005 5.195 -16.909 1.00 0.00 H new ATOM 1433 N GLY A 95 10.222 -0.221 -14.994 1.00 0.00 N ATOM 1434 CA GLY A 95 9.610 -1.396 -14.402 1.00 0.00 C ATOM 1435 C GLY A 95 9.223 -1.180 -12.952 1.00 0.00 C ATOM 1436 O GLY A 95 9.493 -0.132 -12.365 1.00 0.00 O ATOM 0 H GLY A 95 10.097 0.641 -14.463 1.00 0.00 H new ATOM 0 HA2 GLY A 95 8.723 -1.668 -14.975 1.00 0.00 H new ATOM 0 HA3 GLY A 95 10.302 -2.235 -14.469 1.00 0.00 H new ATOM 1440 N PRO A 96 8.575 -2.189 -12.352 1.00 0.00 N ATOM 1441 CA PRO A 96 8.135 -2.128 -10.955 1.00 0.00 C ATOM 1442 C PRO A 96 9.305 -2.169 -9.977 1.00 0.00 C ATOM 1443 O PRO A 96 9.999 -3.178 -9.867 1.00 0.00 O ATOM 1444 CB PRO A 96 7.266 -3.378 -10.801 1.00 0.00 C ATOM 1445 CG PRO A 96 7.772 -4.321 -11.837 1.00 0.00 C ATOM 1446 CD PRO A 96 8.220 -3.467 -12.991 1.00 0.00 C ATOM 0 HA PRO A 96 7.611 -1.198 -10.733 1.00 0.00 H new ATOM 0 HB2 PRO A 96 7.357 -3.802 -9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 96 6.212 -3.149 -10.955 1.00 0.00 H new ATOM 0 HG2 PRO A 96 8.597 -4.919 -11.451 1.00 0.00 H new ATOM 0 HG3 PRO A 96 6.992 -5.017 -12.146 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.072 -3.907 -13.510 1.00 0.00 H new ATOM 0 HD3 PRO A 96 7.428 -3.341 -13.729 1.00 0.00 H new ATOM 1454 N GLY A 97 9.517 -1.064 -9.268 1.00 0.00 N ATOM 1455 CA GLY A 97 10.604 -0.996 -8.309 1.00 0.00 C ATOM 1456 C GLY A 97 10.231 -1.596 -6.968 1.00 0.00 C ATOM 1457 O GLY A 97 9.209 -2.271 -6.843 1.00 0.00 O ATOM 0 H GLY A 97 8.956 -0.215 -9.341 1.00 0.00 H new ATOM 0 HA2 GLY A 97 11.472 -1.520 -8.710 1.00 0.00 H new ATOM 0 HA3 GLY A 97 10.897 0.045 -8.169 1.00 0.00 H new ATOM 1461 N VAL A 98 11.064 -1.352 -5.960 1.00 0.00 N ATOM 1462 CA VAL A 98 10.817 -1.874 -4.621 1.00 0.00 C ATOM 1463 C VAL A 98 9.402 -1.549 -4.157 1.00 0.00 C ATOM 1464 O VAL A 98 8.640 -0.892 -4.866 1.00 0.00 O ATOM 1465 CB VAL A 98 11.823 -1.305 -3.603 1.00 0.00 C ATOM 1466 CG1 VAL A 98 13.245 -1.686 -3.987 1.00 0.00 C ATOM 1467 CG2 VAL A 98 11.678 0.205 -3.497 1.00 0.00 C ATOM 0 H VAL A 98 11.915 -0.796 -6.046 1.00 0.00 H new ATOM 0 HA VAL A 98 10.939 -2.956 -4.675 1.00 0.00 H new ATOM 0 HB VAL A 98 11.607 -1.737 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 98 13.942 -1.275 -3.256 1.00 0.00 H new ATOM 0 HG12 VAL A 98 13.338 -2.772 -4.007 1.00 0.00 H new ATOM 0 HG13 VAL A 98 13.475 -1.284 -4.974 1.00 0.00 H new ATOM 0 HG21 VAL A 98 12.397 0.590 -2.773 1.00 0.00 H new ATOM 0 HG22 VAL A 98 11.866 0.658 -4.471 1.00 0.00 H new ATOM 0 HG23 VAL A 98 10.668 0.451 -3.171 1.00 0.00 H new ATOM 1477 N SER A 99 9.057 -2.012 -2.960 1.00 0.00 N ATOM 1478 CA SER A 99 7.731 -1.774 -2.401 1.00 0.00 C ATOM 1479 C SER A 99 7.829 -1.292 -0.956 1.00 0.00 C ATOM 1480 O SER A 99 8.599 -1.831 -0.160 1.00 0.00 O ATOM 1481 CB SER A 99 6.888 -3.049 -2.469 1.00 0.00 C ATOM 1482 OG SER A 99 5.649 -2.877 -1.804 1.00 0.00 O ATOM 0 H SER A 99 9.677 -2.554 -2.358 1.00 0.00 H new ATOM 0 HA SER A 99 7.249 -0.997 -2.994 1.00 0.00 H new ATOM 0 HB2 SER A 99 6.711 -3.317 -3.511 1.00 0.00 H new ATOM 0 HB3 SER A 99 7.436 -3.875 -2.016 1.00 0.00 H new ATOM 0 HG SER A 99 5.641 -3.412 -0.983 1.00 0.00 H new ATOM 1488 N THR A 100 7.043 -0.273 -0.624 1.00 0.00 N ATOM 1489 CA THR A 100 7.041 0.283 0.723 1.00 0.00 C ATOM 1490 C THR A 100 6.706 -0.784 1.758 1.00 0.00 C ATOM 1491 O THR A 100 6.101 -1.812 1.452 1.00 0.00 O ATOM 1492 CB THR A 100 6.032 1.441 0.851 1.00 0.00 C ATOM 1493 OG1 THR A 100 4.860 1.157 0.080 1.00 0.00 O ATOM 1494 CG2 THR A 100 6.649 2.750 0.382 1.00 0.00 C ATOM 0 H THR A 100 6.399 0.184 -1.270 1.00 0.00 H new ATOM 0 HA THR A 100 8.045 0.663 0.909 1.00 0.00 H new ATOM 0 HB THR A 100 5.759 1.542 1.902 1.00 0.00 H new ATOM 0 HG1 THR A 100 4.223 1.897 0.168 1.00 0.00 H new ATOM 0 HG21 THR A 100 5.918 3.553 0.482 1.00 0.00 H new ATOM 0 HG22 THR A 100 7.524 2.978 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 100 6.947 2.658 -0.662 1.00 0.00 H new ATOM 1502 N PRO A 101 7.106 -0.538 3.014 1.00 0.00 N ATOM 1503 CA PRO A 101 6.857 -1.467 4.121 1.00 0.00 C ATOM 1504 C PRO A 101 5.382 -1.535 4.500 1.00 0.00 C ATOM 1505 O PRO A 101 4.726 -0.507 4.667 1.00 0.00 O ATOM 1506 CB PRO A 101 7.678 -0.876 5.270 1.00 0.00 C ATOM 1507 CG PRO A 101 7.787 0.575 4.952 1.00 0.00 C ATOM 1508 CD PRO A 101 7.831 0.667 3.451 1.00 0.00 C ATOM 0 HA PRO A 101 7.131 -2.490 3.865 1.00 0.00 H new ATOM 0 HB2 PRO A 101 7.187 -1.035 6.230 1.00 0.00 H new ATOM 0 HB3 PRO A 101 8.661 -1.342 5.334 1.00 0.00 H new ATOM 0 HG2 PRO A 101 6.937 1.127 5.352 1.00 0.00 H new ATOM 0 HG3 PRO A 101 8.684 1.006 5.396 1.00 0.00 H new ATOM 0 HD2 PRO A 101 7.352 1.577 3.090 1.00 0.00 H new ATOM 0 HD3 PRO A 101 8.855 0.677 3.079 1.00 0.00 H new ATOM 1516 N ASP A 102 4.867 -2.752 4.634 1.00 0.00 N ATOM 1517 CA ASP A 102 3.468 -2.955 4.995 1.00 0.00 C ATOM 1518 C ASP A 102 3.003 -1.891 5.985 1.00 0.00 C ATOM 1519 O ASP A 102 3.715 -1.554 6.931 1.00 0.00 O ATOM 1520 CB ASP A 102 3.271 -4.348 5.595 1.00 0.00 C ATOM 1521 CG ASP A 102 4.047 -5.415 4.848 1.00 0.00 C ATOM 1522 OD1 ASP A 102 3.620 -5.791 3.737 1.00 0.00 O ATOM 1523 OD2 ASP A 102 5.082 -5.875 5.376 1.00 0.00 O ATOM 0 H ASP A 102 5.397 -3.613 4.498 1.00 0.00 H new ATOM 0 HA ASP A 102 2.868 -2.870 4.089 1.00 0.00 H new ATOM 0 HB2 ASP A 102 3.585 -4.339 6.639 1.00 0.00 H new ATOM 0 HB3 ASP A 102 2.210 -4.599 5.583 1.00 0.00 H new ATOM 1528 N VAL A 103 1.804 -1.364 5.759 1.00 0.00 N ATOM 1529 CA VAL A 103 1.243 -0.338 6.630 1.00 0.00 C ATOM 1530 C VAL A 103 -0.105 -0.773 7.194 1.00 0.00 C ATOM 1531 O VAL A 103 -1.156 -0.339 6.723 1.00 0.00 O ATOM 1532 CB VAL A 103 1.067 0.998 5.883 1.00 0.00 C ATOM 1533 CG1 VAL A 103 0.371 2.018 6.771 1.00 0.00 C ATOM 1534 CG2 VAL A 103 2.414 1.522 5.408 1.00 0.00 C ATOM 0 H VAL A 103 1.202 -1.631 4.980 1.00 0.00 H new ATOM 0 HA VAL A 103 1.949 -0.198 7.449 1.00 0.00 H new ATOM 0 HB VAL A 103 0.440 0.827 5.008 1.00 0.00 H new ATOM 0 HG11 VAL A 103 0.255 2.955 6.227 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -0.611 1.641 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 103 0.969 2.190 7.666 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.272 2.466 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 103 3.067 1.679 6.267 1.00 0.00 H new ATOM 0 HG23 VAL A 103 2.870 0.796 4.734 1.00 0.00 H new ATOM 1544 N ALA A 104 -0.067 -1.633 8.207 1.00 0.00 N ATOM 1545 CA ALA A 104 -1.285 -2.125 8.838 1.00 0.00 C ATOM 1546 C ALA A 104 -1.962 -1.029 9.653 1.00 0.00 C ATOM 1547 O ALA A 104 -1.311 -0.318 10.418 1.00 0.00 O ATOM 1548 CB ALA A 104 -0.975 -3.326 9.719 1.00 0.00 C ATOM 0 H ALA A 104 0.795 -2.003 8.608 1.00 0.00 H new ATOM 0 HA ALA A 104 -1.973 -2.434 8.051 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.894 -3.683 10.184 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -0.543 -4.121 9.111 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -0.266 -3.035 10.494 1.00 0.00 H new ATOM 1554 N VAL A 105 -3.274 -0.897 9.484 1.00 0.00 N ATOM 1555 CA VAL A 105 -4.040 0.113 10.205 1.00 0.00 C ATOM 1556 C VAL A 105 -5.365 -0.453 10.702 1.00 0.00 C ATOM 1557 O VAL A 105 -5.991 -1.275 10.032 1.00 0.00 O ATOM 1558 CB VAL A 105 -4.319 1.343 9.321 1.00 0.00 C ATOM 1559 CG1 VAL A 105 -5.248 0.976 8.173 1.00 0.00 C ATOM 1560 CG2 VAL A 105 -4.906 2.474 10.152 1.00 0.00 C ATOM 0 H VAL A 105 -3.829 -1.477 8.854 1.00 0.00 H new ATOM 0 HA VAL A 105 -3.436 0.418 11.059 1.00 0.00 H new ATOM 0 HB VAL A 105 -3.375 1.686 8.897 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -5.434 1.857 7.559 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.784 0.201 7.563 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -6.192 0.607 8.573 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -5.097 3.335 9.511 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -5.841 2.145 10.606 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -4.201 2.754 10.935 1.00 0.00 H new ATOM 1570 N ARG A 106 -5.788 -0.008 11.880 1.00 0.00 N ATOM 1571 CA ARG A 106 -7.040 -0.471 12.468 1.00 0.00 C ATOM 1572 C ARG A 106 -8.168 0.519 12.193 1.00 0.00 C ATOM 1573 O ARG A 106 -8.037 1.716 12.453 1.00 0.00 O ATOM 1574 CB ARG A 106 -6.877 -0.669 13.976 1.00 0.00 C ATOM 1575 CG ARG A 106 -7.902 -1.615 14.580 1.00 0.00 C ATOM 1576 CD ARG A 106 -7.829 -1.620 16.099 1.00 0.00 C ATOM 1577 NE ARG A 106 -6.609 -2.259 16.586 1.00 0.00 N ATOM 1578 CZ ARG A 106 -6.089 -2.029 17.786 1.00 0.00 C ATOM 1579 NH1 ARG A 106 -6.679 -1.181 18.617 1.00 0.00 N ATOM 1580 NH2 ARG A 106 -4.976 -2.649 18.158 1.00 0.00 N ATOM 0 H ARG A 106 -5.282 0.673 12.447 1.00 0.00 H new ATOM 0 HA ARG A 106 -7.297 -1.426 12.009 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -5.877 -1.053 14.178 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -6.952 0.299 14.471 1.00 0.00 H new ATOM 0 HG2 ARG A 106 -8.902 -1.319 14.264 1.00 0.00 H new ATOM 0 HG3 ARG A 106 -7.734 -2.624 14.203 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -7.873 -0.595 16.467 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -8.697 -2.142 16.502 1.00 0.00 H new ATOM 0 HE ARG A 106 -6.131 -2.917 15.971 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -7.535 -0.703 18.335 1.00 0.00 H new ATOM 0 HH12 ARG A 106 -6.277 -1.007 19.538 1.00 0.00 H new ATOM 0 HH21 ARG A 106 -4.519 -3.303 17.522 1.00 0.00 H new ATOM 0 HH22 ARG A 106 -4.577 -2.472 19.080 1.00 0.00 H new ATOM 1594 N THR A 107 -9.278 0.011 11.666 1.00 0.00 N ATOM 1595 CA THR A 107 -10.429 0.850 11.354 1.00 0.00 C ATOM 1596 C THR A 107 -11.154 1.282 12.624 1.00 0.00 C ATOM 1597 O THR A 107 -11.078 0.611 13.654 1.00 0.00 O ATOM 1598 CB THR A 107 -11.423 0.119 10.432 1.00 0.00 C ATOM 1599 OG1 THR A 107 -11.529 -1.256 10.818 1.00 0.00 O ATOM 1600 CG2 THR A 107 -10.981 0.211 8.979 1.00 0.00 C ATOM 0 H THR A 107 -9.404 -0.977 11.446 1.00 0.00 H new ATOM 0 HA THR A 107 -10.048 1.732 10.839 1.00 0.00 H new ATOM 0 HB THR A 107 -12.397 0.599 10.530 1.00 0.00 H new ATOM 0 HG1 THR A 107 -12.196 -1.703 10.256 1.00 0.00 H new ATOM 0 HG21 THR A 107 -11.698 -0.312 8.347 1.00 0.00 H new ATOM 0 HG22 THR A 107 -10.930 1.258 8.680 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.998 -0.247 8.868 1.00 0.00 H new ATOM 1608 N LEU A 108 -11.859 2.405 12.543 1.00 0.00 N ATOM 1609 CA LEU A 108 -12.599 2.927 13.687 1.00 0.00 C ATOM 1610 C LEU A 108 -13.563 1.880 14.235 1.00 0.00 C ATOM 1611 O LEU A 108 -14.083 1.049 13.489 1.00 0.00 O ATOM 1612 CB LEU A 108 -13.370 4.187 13.288 1.00 0.00 C ATOM 1613 CG LEU A 108 -12.578 5.242 12.515 1.00 0.00 C ATOM 1614 CD1 LEU A 108 -13.490 6.374 12.070 1.00 0.00 C ATOM 1615 CD2 LEU A 108 -11.434 5.778 13.364 1.00 0.00 C ATOM 0 H LEU A 108 -11.934 2.971 11.698 1.00 0.00 H new ATOM 0 HA LEU A 108 -11.882 3.179 14.469 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.226 3.889 12.683 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -13.765 4.649 14.193 1.00 0.00 H new ATOM 0 HG LEU A 108 -12.156 4.773 11.626 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.909 7.115 11.522 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -14.274 5.977 11.425 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.942 6.842 12.944 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -10.881 6.528 12.798 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.835 6.231 14.271 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -10.765 4.960 13.632 1.00 0.00 H new ATOM 1627 N SER A 109 -13.799 1.926 15.542 1.00 0.00 N ATOM 1628 CA SER A 109 -14.699 0.980 16.191 1.00 0.00 C ATOM 1629 C SER A 109 -16.086 1.589 16.375 1.00 0.00 C ATOM 1630 O SER A 109 -16.257 2.562 17.110 1.00 0.00 O ATOM 1631 CB SER A 109 -14.134 0.553 17.547 1.00 0.00 C ATOM 1632 OG SER A 109 -14.087 1.646 18.447 1.00 0.00 O ATOM 0 H SER A 109 -13.379 2.609 16.173 1.00 0.00 H new ATOM 0 HA SER A 109 -14.788 0.103 15.550 1.00 0.00 H new ATOM 0 HB2 SER A 109 -14.750 -0.242 17.967 1.00 0.00 H new ATOM 0 HB3 SER A 109 -13.133 0.144 17.415 1.00 0.00 H new ATOM 0 HG SER A 109 -14.834 2.253 18.264 1.00 0.00 H new