USER MOD reduce.3.24.130724 H: found=0, std=0, add=599, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 599 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 73 CYS SG : rot 70:sc= 0.396 USER MOD Set 1.2: A 74 ASN : amide:sc= -1.79 K(o=-1.4,f=-8.9!) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -46:sc= 0.963 USER MOD Single : A 21 CYS SG : rot -57:sc= -1.8 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ -119:sc= -1.48 (180deg=-2.84) USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0513 USER MOD Single : A 30 GLN : amide:sc= -3.39! C(o=-3.4!,f=-1.9!) USER MOD Single : A 32 LYS NZ :NH3+ -160:sc= 0.477! (180deg=-1.04!) USER MOD Single : A 34 LYS NZ :NH3+ 145:sc= -0.283 (180deg=-1.79!) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot -42:sc= 0.0325 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 CYS SG : rot -70:sc= -1.47 USER MOD Single : A 43 GLN : amide:sc= 0.00768 K(o=0.0077,f=-0.98) USER MOD Single : A 44 ASN : amide:sc= -4.32 K(o=-4.3,f=-13!) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.326 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 ASN : amide:sc= -0.625 X(o=-0.62,f=-0.2) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 83 GLN : amide:sc= -0.665 X(o=-0.67,f=-1) USER MOD Single : A 84 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.109) USER MOD Single : A 89 SER OG : rot 73:sc= -2.54! USER MOD ----------------------------------------------------------------- ATOM 161 N PRO A 15 -1.033 10.050 -10.539 1.00 0.00 N ATOM 162 CA PRO A 15 -2.123 9.652 -9.644 1.00 0.00 C ATOM 163 C PRO A 15 -1.854 8.316 -8.960 1.00 0.00 C ATOM 164 O PRO A 15 -2.696 7.803 -8.223 1.00 0.00 O ATOM 165 CB PRO A 15 -3.328 9.540 -10.582 1.00 0.00 C ATOM 166 CG PRO A 15 -2.741 9.258 -11.921 1.00 0.00 C ATOM 167 CD PRO A 15 -1.424 9.984 -11.957 1.00 0.00 C ATOM 0 HA PRO A 15 -2.263 10.364 -8.830 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -4.001 8.742 -10.269 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.910 10.462 -10.591 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.600 8.187 -12.068 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -3.400 9.605 -12.717 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.686 9.448 -12.553 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.525 10.978 -12.393 1.00 0.00 H new ATOM 175 N THR A 16 -0.674 7.756 -9.209 1.00 0.00 N ATOM 176 CA THR A 16 -0.295 6.479 -8.618 1.00 0.00 C ATOM 177 C THR A 16 0.944 6.625 -7.742 1.00 0.00 C ATOM 178 O THR A 16 1.865 7.372 -8.072 1.00 0.00 O ATOM 179 CB THR A 16 -0.021 5.418 -9.701 1.00 0.00 C ATOM 180 OG1 THR A 16 1.037 5.856 -10.560 1.00 0.00 O ATOM 181 CG2 THR A 16 -1.272 5.150 -10.524 1.00 0.00 C ATOM 0 H THR A 16 0.035 8.167 -9.816 1.00 0.00 H new ATOM 0 HA THR A 16 -1.135 6.153 -8.004 1.00 0.00 H new ATOM 0 HB THR A 16 0.274 4.493 -9.206 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.206 5.175 -11.244 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.054 4.398 -11.282 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.066 4.788 -9.871 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.593 6.072 -11.009 1.00 0.00 H new ATOM 189 N LEU A 17 0.961 5.907 -6.624 1.00 0.00 N ATOM 190 CA LEU A 17 2.088 5.957 -5.700 1.00 0.00 C ATOM 191 C LEU A 17 2.514 4.553 -5.285 1.00 0.00 C ATOM 192 O LEU A 17 1.688 3.672 -5.044 1.00 0.00 O ATOM 193 CB LEU A 17 1.723 6.779 -4.462 1.00 0.00 C ATOM 194 CG LEU A 17 1.085 8.138 -4.752 1.00 0.00 C ATOM 195 CD1 LEU A 17 0.500 8.736 -3.482 1.00 0.00 C ATOM 196 CD2 LEU A 17 2.105 9.084 -5.368 1.00 0.00 C ATOM 0 H LEU A 17 0.207 5.283 -6.336 1.00 0.00 H new ATOM 0 HA LEU A 17 2.924 6.434 -6.211 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.037 6.196 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.625 6.937 -3.871 1.00 0.00 H new ATOM 0 HG LEU A 17 0.275 7.993 -5.466 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.051 9.703 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.262 8.067 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.291 8.868 -2.744 1.00 0.00 H new ATOM 0 HD21 LEU A 17 1.634 10.047 -5.568 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.936 9.223 -4.677 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.477 8.661 -6.301 1.00 0.00 H new ATOM 208 N PRO A 18 3.835 4.336 -5.199 1.00 0.00 N ATOM 209 CA PRO A 18 4.401 3.041 -4.813 1.00 0.00 C ATOM 210 C PRO A 18 4.153 2.714 -3.344 1.00 0.00 C ATOM 211 O PRO A 18 4.663 3.393 -2.452 1.00 0.00 O ATOM 212 CB PRO A 18 5.899 3.216 -5.076 1.00 0.00 C ATOM 213 CG PRO A 18 6.133 4.683 -4.971 1.00 0.00 C ATOM 214 CD PRO A 18 4.877 5.340 -5.472 1.00 0.00 C ATOM 0 HA PRO A 18 3.950 2.218 -5.367 1.00 0.00 H new ATOM 0 HB2 PRO A 18 6.496 2.667 -4.348 1.00 0.00 H new ATOM 0 HB3 PRO A 18 6.174 2.841 -6.062 1.00 0.00 H new ATOM 0 HG2 PRO A 18 6.340 4.972 -3.941 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.995 4.984 -5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.678 6.277 -4.952 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.942 5.573 -6.535 1.00 0.00 H new ATOM 222 N VAL A 19 3.368 1.670 -3.099 1.00 0.00 N ATOM 223 CA VAL A 19 3.054 1.252 -1.738 1.00 0.00 C ATOM 224 C VAL A 19 3.602 -0.141 -1.451 1.00 0.00 C ATOM 225 O VAL A 19 3.759 -0.959 -2.358 1.00 0.00 O ATOM 226 CB VAL A 19 1.534 1.256 -1.487 1.00 0.00 C ATOM 227 CG1 VAL A 19 0.968 2.658 -1.658 1.00 0.00 C ATOM 228 CG2 VAL A 19 0.838 0.274 -2.416 1.00 0.00 C ATOM 0 H VAL A 19 2.938 1.098 -3.826 1.00 0.00 H new ATOM 0 HA VAL A 19 3.527 1.970 -1.069 1.00 0.00 H new ATOM 0 HB VAL A 19 1.352 0.940 -0.460 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -0.107 2.641 -1.477 1.00 0.00 H new ATOM 0 HG12 VAL A 19 1.445 3.332 -0.947 1.00 0.00 H new ATOM 0 HG13 VAL A 19 1.159 3.006 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -0.235 0.290 -2.225 1.00 0.00 H new ATOM 0 HG22 VAL A 19 1.026 0.557 -3.452 1.00 0.00 H new ATOM 0 HG23 VAL A 19 1.223 -0.730 -2.239 1.00 0.00 H new ATOM 238 N THR A 20 3.892 -0.406 -0.181 1.00 0.00 N ATOM 239 CA THR A 20 4.423 -1.701 0.228 1.00 0.00 C ATOM 240 C THR A 20 3.961 -2.066 1.634 1.00 0.00 C ATOM 241 O THR A 20 4.085 -1.269 2.564 1.00 0.00 O ATOM 242 CB THR A 20 5.963 -1.714 0.185 1.00 0.00 C ATOM 243 OG1 THR A 20 6.484 -0.615 0.941 1.00 0.00 O ATOM 244 CG2 THR A 20 6.466 -1.634 -1.248 1.00 0.00 C ATOM 0 H THR A 20 3.768 0.259 0.582 1.00 0.00 H new ATOM 0 HA THR A 20 4.041 -2.438 -0.479 1.00 0.00 H new ATOM 0 HB THR A 20 6.308 -2.651 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 20 5.993 0.202 0.712 1.00 0.00 H new ATOM 0 HG21 THR A 20 7.556 -1.645 -1.252 1.00 0.00 H new ATOM 0 HG22 THR A 20 6.093 -2.488 -1.813 1.00 0.00 H new ATOM 0 HG23 THR A 20 6.111 -0.712 -1.707 1.00 0.00 H new ATOM 252 N CYS A 21 3.430 -3.274 1.781 1.00 0.00 N ATOM 253 CA CYS A 21 2.950 -3.745 3.076 1.00 0.00 C ATOM 254 C CYS A 21 3.558 -5.101 3.421 1.00 0.00 C ATOM 255 O CYS A 21 3.190 -6.123 2.844 1.00 0.00 O ATOM 256 CB CYS A 21 1.423 -3.844 3.071 1.00 0.00 C ATOM 257 SG CYS A 21 0.702 -4.203 4.690 1.00 0.00 S ATOM 0 H CYS A 21 3.321 -3.945 1.021 1.00 0.00 H new ATOM 0 HA CYS A 21 3.259 -3.025 3.834 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.010 -2.906 2.701 1.00 0.00 H new ATOM 0 HB3 CYS A 21 1.122 -4.623 2.370 1.00 0.00 H new ATOM 0 HG CYS A 21 1.208 -5.307 5.155 1.00 0.00 H new ATOM 263 N GLY A 22 4.493 -5.100 4.366 1.00 0.00 N ATOM 264 CA GLY A 22 5.139 -6.335 4.771 1.00 0.00 C ATOM 265 C GLY A 22 5.825 -7.037 3.616 1.00 0.00 C ATOM 266 O GLY A 22 6.847 -6.569 3.113 1.00 0.00 O ATOM 0 H GLY A 22 4.815 -4.267 4.858 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.872 -6.120 5.548 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.397 -7.003 5.209 1.00 0.00 H new ATOM 270 N LYS A 23 5.263 -8.164 3.193 1.00 0.00 N ATOM 271 CA LYS A 23 5.826 -8.933 2.089 1.00 0.00 C ATOM 272 C LYS A 23 5.017 -8.725 0.813 1.00 0.00 C ATOM 273 O LYS A 23 5.113 -9.511 -0.129 1.00 0.00 O ATOM 274 CB LYS A 23 5.864 -10.421 2.445 1.00 0.00 C ATOM 275 CG LYS A 23 4.495 -11.014 2.728 1.00 0.00 C ATOM 276 CD LYS A 23 4.516 -12.531 2.646 1.00 0.00 C ATOM 277 CE LYS A 23 4.940 -13.155 3.967 1.00 0.00 C ATOM 278 NZ LYS A 23 4.768 -14.634 3.963 1.00 0.00 N ATOM 0 H LYS A 23 4.417 -8.566 3.598 1.00 0.00 H new ATOM 0 HA LYS A 23 6.843 -8.581 1.915 1.00 0.00 H new ATOM 0 HB2 LYS A 23 6.326 -10.970 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 23 6.499 -10.561 3.320 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.163 -10.707 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 23 3.772 -10.620 2.013 1.00 0.00 H new ATOM 0 HD2 LYS A 23 3.526 -12.895 2.372 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.201 -12.844 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.984 -12.911 4.165 1.00 0.00 H new ATOM 0 HE3 LYS A 23 4.353 -12.723 4.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.068 -15.021 4.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 3.768 -14.867 3.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 5.348 -15.049 3.206 1.00 0.00 H new ATOM 292 N ALA A 24 4.222 -7.660 0.788 1.00 0.00 N ATOM 293 CA ALA A 24 3.400 -7.347 -0.374 1.00 0.00 C ATOM 294 C ALA A 24 3.839 -6.038 -1.021 1.00 0.00 C ATOM 295 O ALA A 24 4.349 -5.141 -0.348 1.00 0.00 O ATOM 296 CB ALA A 24 1.933 -7.277 0.021 1.00 0.00 C ATOM 0 H ALA A 24 4.130 -6.999 1.560 1.00 0.00 H new ATOM 0 HA ALA A 24 3.530 -8.144 -1.106 1.00 0.00 H new ATOM 0 HB1 ALA A 24 1.331 -7.042 -0.857 1.00 0.00 H new ATOM 0 HB2 ALA A 24 1.620 -8.238 0.430 1.00 0.00 H new ATOM 0 HB3 ALA A 24 1.795 -6.501 0.773 1.00 0.00 H new ATOM 302 N LYS A 25 3.639 -5.934 -2.330 1.00 0.00 N ATOM 303 CA LYS A 25 4.014 -4.734 -3.069 1.00 0.00 C ATOM 304 C LYS A 25 3.018 -4.452 -4.190 1.00 0.00 C ATOM 305 O LYS A 25 2.573 -5.366 -4.882 1.00 0.00 O ATOM 306 CB LYS A 25 5.422 -4.886 -3.649 1.00 0.00 C ATOM 307 CG LYS A 25 6.482 -5.185 -2.603 1.00 0.00 C ATOM 308 CD LYS A 25 7.883 -5.071 -3.181 1.00 0.00 C ATOM 309 CE LYS A 25 8.311 -6.362 -3.862 1.00 0.00 C ATOM 310 NZ LYS A 25 7.815 -6.439 -5.264 1.00 0.00 N ATOM 0 H LYS A 25 3.219 -6.667 -2.902 1.00 0.00 H new ATOM 0 HA LYS A 25 4.002 -3.892 -2.376 1.00 0.00 H new ATOM 0 HB2 LYS A 25 5.417 -5.687 -4.388 1.00 0.00 H new ATOM 0 HB3 LYS A 25 5.690 -3.969 -4.174 1.00 0.00 H new ATOM 0 HG2 LYS A 25 6.375 -4.494 -1.767 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.331 -6.189 -2.207 1.00 0.00 H new ATOM 0 HD2 LYS A 25 7.916 -4.251 -3.899 1.00 0.00 H new ATOM 0 HD3 LYS A 25 8.587 -4.827 -2.386 1.00 0.00 H new ATOM 0 HE2 LYS A 25 9.399 -6.432 -3.857 1.00 0.00 H new ATOM 0 HE3 LYS A 25 7.934 -7.214 -3.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 7.190 -7.264 -5.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 7.286 -5.573 -5.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.622 -6.533 -5.913 1.00 0.00 H new ATOM 324 N GLY A 26 2.674 -3.180 -4.364 1.00 0.00 N ATOM 325 CA GLY A 26 1.735 -2.801 -5.403 1.00 0.00 C ATOM 326 C GLY A 26 1.769 -1.315 -5.701 1.00 0.00 C ATOM 327 O GLY A 26 2.829 -0.689 -5.661 1.00 0.00 O ATOM 0 H GLY A 26 3.029 -2.405 -3.804 1.00 0.00 H new ATOM 0 HA2 GLY A 26 1.961 -3.356 -6.313 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.727 -3.085 -5.099 1.00 0.00 H new ATOM 331 N THR A 27 0.606 -0.747 -6.004 1.00 0.00 N ATOM 332 CA THR A 27 0.507 0.674 -6.313 1.00 0.00 C ATOM 333 C THR A 27 -0.868 1.222 -5.946 1.00 0.00 C ATOM 334 O THR A 27 -1.893 0.629 -6.280 1.00 0.00 O ATOM 335 CB THR A 27 0.772 0.944 -7.807 1.00 0.00 C ATOM 336 OG1 THR A 27 2.038 0.393 -8.187 1.00 0.00 O ATOM 337 CG2 THR A 27 0.754 2.436 -8.099 1.00 0.00 C ATOM 0 H THR A 27 -0.281 -1.250 -6.042 1.00 0.00 H new ATOM 0 HA THR A 27 1.268 1.180 -5.719 1.00 0.00 H new ATOM 0 HB THR A 27 -0.019 0.468 -8.386 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.198 0.567 -9.138 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.943 2.601 -9.160 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.221 2.846 -7.836 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.527 2.931 -7.511 1.00 0.00 H new ATOM 345 N LEU A 28 -0.881 2.358 -5.256 1.00 0.00 N ATOM 346 CA LEU A 28 -2.131 2.987 -4.844 1.00 0.00 C ATOM 347 C LEU A 28 -2.558 4.056 -5.844 1.00 0.00 C ATOM 348 O LEU A 28 -1.760 4.904 -6.242 1.00 0.00 O ATOM 349 CB LEU A 28 -1.979 3.605 -3.452 1.00 0.00 C ATOM 350 CG LEU A 28 -3.119 4.531 -3.027 1.00 0.00 C ATOM 351 CD1 LEU A 28 -4.194 3.750 -2.288 1.00 0.00 C ATOM 352 CD2 LEU A 28 -2.591 5.664 -2.161 1.00 0.00 C ATOM 0 H LEU A 28 -0.041 2.861 -4.971 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.903 2.218 -4.811 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.893 2.801 -2.721 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.045 4.166 -3.420 1.00 0.00 H new ATOM 0 HG LEU A 28 -3.564 4.963 -3.924 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -4.997 4.426 -1.993 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -4.594 2.974 -2.941 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -3.763 3.289 -1.399 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.416 6.313 -1.868 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.120 5.251 -1.269 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.858 6.241 -2.724 1.00 0.00 H new ATOM 364 N PHE A 29 -3.824 4.008 -6.248 1.00 0.00 N ATOM 365 CA PHE A 29 -4.358 4.971 -7.203 1.00 0.00 C ATOM 366 C PHE A 29 -5.341 5.922 -6.525 1.00 0.00 C ATOM 367 O PHE A 29 -6.490 5.564 -6.271 1.00 0.00 O ATOM 368 CB PHE A 29 -5.050 4.244 -8.359 1.00 0.00 C ATOM 369 CG PHE A 29 -4.127 3.363 -9.151 1.00 0.00 C ATOM 370 CD1 PHE A 29 -3.450 2.319 -8.540 1.00 0.00 C ATOM 371 CD2 PHE A 29 -3.935 3.578 -10.506 1.00 0.00 C ATOM 372 CE1 PHE A 29 -2.600 1.507 -9.266 1.00 0.00 C ATOM 373 CE2 PHE A 29 -3.086 2.769 -11.238 1.00 0.00 C ATOM 374 CZ PHE A 29 -2.418 1.731 -10.617 1.00 0.00 C ATOM 0 H PHE A 29 -4.498 3.312 -5.929 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.526 5.556 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -5.865 3.639 -7.961 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -5.497 4.981 -9.026 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.589 2.138 -7.484 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.455 4.388 -10.997 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.078 0.697 -8.778 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -2.945 2.948 -12.294 1.00 0.00 H new ATOM 0 HZ PHE A 29 -1.755 1.096 -11.186 1.00 0.00 H new ATOM 384 N GLN A 30 -4.878 7.133 -6.236 1.00 0.00 N ATOM 385 CA GLN A 30 -5.714 8.135 -5.586 1.00 0.00 C ATOM 386 C GLN A 30 -7.115 8.148 -6.189 1.00 0.00 C ATOM 387 O GLN A 30 -8.111 8.175 -5.467 1.00 0.00 O ATOM 388 CB GLN A 30 -5.079 9.521 -5.714 1.00 0.00 C ATOM 389 CG GLN A 30 -3.561 9.504 -5.639 1.00 0.00 C ATOM 390 CD GLN A 30 -2.978 10.859 -5.293 1.00 0.00 C ATOM 391 OE1 GLN A 30 -2.957 11.769 -6.122 1.00 0.00 O ATOM 392 NE2 GLN A 30 -2.501 11.002 -4.062 1.00 0.00 N ATOM 0 H GLN A 30 -3.929 7.444 -6.442 1.00 0.00 H new ATOM 0 HA GLN A 30 -5.794 7.876 -4.530 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -5.383 9.964 -6.662 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -5.466 10.163 -4.923 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -3.246 8.776 -4.891 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -3.158 9.173 -6.596 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -2.538 10.221 -3.407 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -2.097 11.893 -3.772 1.00 0.00 H new ATOM 401 N GLU A 31 -7.184 8.128 -7.516 1.00 0.00 N ATOM 402 CA GLU A 31 -8.464 8.139 -8.215 1.00 0.00 C ATOM 403 C GLU A 31 -9.353 6.993 -7.739 1.00 0.00 C ATOM 404 O GLU A 31 -10.556 7.166 -7.543 1.00 0.00 O ATOM 405 CB GLU A 31 -8.246 8.036 -9.726 1.00 0.00 C ATOM 406 CG GLU A 31 -7.486 6.790 -10.148 1.00 0.00 C ATOM 407 CD GLU A 31 -7.565 6.536 -11.641 1.00 0.00 C ATOM 408 OE1 GLU A 31 -7.376 7.494 -12.418 1.00 0.00 O ATOM 409 OE2 GLU A 31 -7.817 5.376 -12.032 1.00 0.00 O ATOM 0 H GLU A 31 -6.369 8.104 -8.129 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.964 9.081 -7.991 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -9.215 8.047 -10.226 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -7.701 8.916 -10.067 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.441 6.890 -9.855 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -7.885 5.927 -9.615 1.00 0.00 H new ATOM 416 N LYS A 32 -8.752 5.823 -7.556 1.00 0.00 N ATOM 417 CA LYS A 32 -9.486 4.648 -7.102 1.00 0.00 C ATOM 418 C LYS A 32 -9.571 4.613 -5.580 1.00 0.00 C ATOM 419 O LYS A 32 -10.239 3.754 -5.005 1.00 0.00 O ATOM 420 CB LYS A 32 -8.815 3.372 -7.616 1.00 0.00 C ATOM 421 CG LYS A 32 -9.053 3.111 -9.093 1.00 0.00 C ATOM 422 CD LYS A 32 -7.847 2.457 -9.745 1.00 0.00 C ATOM 423 CE LYS A 32 -8.007 2.373 -11.256 1.00 0.00 C ATOM 424 NZ LYS A 32 -6.704 2.523 -11.961 1.00 0.00 N ATOM 0 H LYS A 32 -7.757 5.663 -7.715 1.00 0.00 H new ATOM 0 HA LYS A 32 -10.498 4.706 -7.503 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.742 3.438 -7.436 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.183 2.522 -7.042 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.926 2.469 -9.214 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -9.276 4.051 -9.598 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.949 3.026 -9.504 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.709 1.456 -9.336 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.455 1.415 -11.521 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -8.693 3.150 -11.592 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.874 2.798 -12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.137 3.257 -11.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.190 1.619 -11.936 1.00 0.00 H new ATOM 438 N LEU A 33 -8.891 5.553 -4.932 1.00 0.00 N ATOM 439 CA LEU A 33 -8.890 5.631 -3.476 1.00 0.00 C ATOM 440 C LEU A 33 -9.935 6.628 -2.984 1.00 0.00 C ATOM 441 O LEU A 33 -10.498 6.471 -1.901 1.00 0.00 O ATOM 442 CB LEU A 33 -7.504 6.032 -2.966 1.00 0.00 C ATOM 443 CG LEU A 33 -7.373 6.116 -1.446 1.00 0.00 C ATOM 444 CD1 LEU A 33 -7.652 4.763 -0.810 1.00 0.00 C ATOM 445 CD2 LEU A 33 -5.989 6.613 -1.057 1.00 0.00 C ATOM 0 H LEU A 33 -8.333 6.272 -5.393 1.00 0.00 H new ATOM 0 HA LEU A 33 -9.142 4.646 -3.084 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.774 5.313 -3.339 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.243 7.001 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 33 -8.111 6.828 -1.076 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.554 4.843 0.273 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -8.664 4.445 -1.060 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.938 4.030 -1.186 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.914 6.667 0.029 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.235 5.925 -1.440 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.826 7.604 -1.481 1.00 0.00 H new ATOM 457 N LYS A 34 -10.188 7.655 -3.788 1.00 0.00 N ATOM 458 CA LYS A 34 -11.165 8.679 -3.437 1.00 0.00 C ATOM 459 C LYS A 34 -12.510 8.050 -3.087 1.00 0.00 C ATOM 460 O LYS A 34 -13.089 8.345 -2.042 1.00 0.00 O ATOM 461 CB LYS A 34 -11.337 9.666 -4.593 1.00 0.00 C ATOM 462 CG LYS A 34 -10.126 10.554 -4.820 1.00 0.00 C ATOM 463 CD LYS A 34 -10.471 11.761 -5.677 1.00 0.00 C ATOM 464 CE LYS A 34 -10.361 11.441 -7.160 1.00 0.00 C ATOM 465 NZ LYS A 34 -11.473 10.564 -7.622 1.00 0.00 N ATOM 0 H LYS A 34 -9.730 7.800 -4.688 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.795 9.214 -2.562 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.545 9.110 -5.507 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -12.206 10.294 -4.397 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -9.734 10.889 -3.860 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -9.337 9.978 -5.303 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.484 12.093 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -9.803 12.586 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -10.368 12.368 -7.733 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -9.407 10.952 -7.356 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -11.737 10.822 -8.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -11.165 9.571 -7.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.294 10.686 -6.996 1.00 0.00 H new ATOM 479 N GLN A 35 -13.000 7.183 -3.967 1.00 0.00 N ATOM 480 CA GLN A 35 -14.276 6.513 -3.749 1.00 0.00 C ATOM 481 C GLN A 35 -14.410 6.053 -2.301 1.00 0.00 C ATOM 482 O GLN A 35 -15.410 6.329 -1.642 1.00 0.00 O ATOM 483 CB GLN A 35 -14.415 5.316 -4.692 1.00 0.00 C ATOM 484 CG GLN A 35 -14.120 5.649 -6.146 1.00 0.00 C ATOM 485 CD GLN A 35 -14.689 4.624 -7.106 1.00 0.00 C ATOM 486 OE1 GLN A 35 -14.408 3.430 -6.996 1.00 0.00 O ATOM 487 NE2 GLN A 35 -15.494 5.085 -8.056 1.00 0.00 N ATOM 0 H GLN A 35 -12.533 6.928 -4.837 1.00 0.00 H new ATOM 0 HA GLN A 35 -15.073 7.227 -3.959 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.739 4.526 -4.365 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -15.428 4.921 -4.617 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -14.533 6.630 -6.381 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.041 5.715 -6.288 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -15.700 6.083 -8.110 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -15.907 4.442 -8.731 1.00 0.00 H new ATOM 496 N GLY A 36 -13.393 5.349 -1.813 1.00 0.00 N ATOM 497 CA GLY A 36 -13.417 4.861 -0.446 1.00 0.00 C ATOM 498 C GLY A 36 -12.223 3.985 -0.122 1.00 0.00 C ATOM 499 O GLY A 36 -11.603 3.413 -1.018 1.00 0.00 O ATOM 0 H GLY A 36 -12.553 5.108 -2.340 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -13.438 5.709 0.239 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -14.334 4.295 -0.281 1.00 0.00 H new ATOM 503 N ALA A 37 -11.898 3.882 1.162 1.00 0.00 N ATOM 504 CA ALA A 37 -10.771 3.070 1.603 1.00 0.00 C ATOM 505 C ALA A 37 -11.155 1.596 1.684 1.00 0.00 C ATOM 506 O ALA A 37 -10.460 0.798 2.314 1.00 0.00 O ATOM 507 CB ALA A 37 -10.261 3.560 2.950 1.00 0.00 C ATOM 0 H ALA A 37 -12.400 4.351 1.916 1.00 0.00 H new ATOM 0 HA ALA A 37 -9.973 3.171 0.867 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.419 2.944 3.266 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -9.938 4.597 2.861 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.060 3.490 3.689 1.00 0.00 H new ATOM 513 N SER A 38 -12.264 1.242 1.045 1.00 0.00 N ATOM 514 CA SER A 38 -12.743 -0.136 1.049 1.00 0.00 C ATOM 515 C SER A 38 -12.740 -0.716 -0.362 1.00 0.00 C ATOM 516 O SER A 38 -12.954 -1.913 -0.554 1.00 0.00 O ATOM 517 CB SER A 38 -14.153 -0.206 1.639 1.00 0.00 C ATOM 518 OG SER A 38 -14.466 -1.524 2.056 1.00 0.00 O ATOM 0 H SER A 38 -12.849 1.890 0.517 1.00 0.00 H new ATOM 0 HA SER A 38 -12.068 -0.728 1.668 1.00 0.00 H new ATOM 0 HB2 SER A 38 -14.230 0.475 2.487 1.00 0.00 H new ATOM 0 HB3 SER A 38 -14.878 0.126 0.896 1.00 0.00 H new ATOM 0 HG SER A 38 -14.145 -2.164 1.387 1.00 0.00 H new ATOM 524 N LYS A 39 -12.497 0.141 -1.347 1.00 0.00 N ATOM 525 CA LYS A 39 -12.465 -0.284 -2.741 1.00 0.00 C ATOM 526 C LYS A 39 -11.053 -0.686 -3.155 1.00 0.00 C ATOM 527 O LYS A 39 -10.069 -0.145 -2.651 1.00 0.00 O ATOM 528 CB LYS A 39 -12.974 0.838 -3.650 1.00 0.00 C ATOM 529 CG LYS A 39 -14.358 1.341 -3.278 1.00 0.00 C ATOM 530 CD LYS A 39 -15.446 0.566 -4.003 1.00 0.00 C ATOM 531 CE LYS A 39 -16.809 1.213 -3.817 1.00 0.00 C ATOM 532 NZ LYS A 39 -17.098 2.214 -4.880 1.00 0.00 N ATOM 0 H LYS A 39 -12.319 1.135 -1.206 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.117 -1.152 -2.845 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -12.272 1.671 -3.613 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -12.991 0.481 -4.680 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -14.502 1.251 -2.201 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -14.439 2.400 -3.523 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -15.209 0.512 -5.066 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -15.474 -0.458 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -17.580 0.443 -3.824 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -16.851 1.697 -2.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -18.036 2.632 -4.717 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -16.377 2.963 -4.857 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -17.083 1.747 -5.809 1.00 0.00 H new ATOM 546 N LYS A 40 -10.960 -1.639 -4.077 1.00 0.00 N ATOM 547 CA LYS A 40 -9.669 -2.112 -4.561 1.00 0.00 C ATOM 548 C LYS A 40 -8.935 -1.011 -5.318 1.00 0.00 C ATOM 549 O LYS A 40 -9.252 -0.720 -6.472 1.00 0.00 O ATOM 550 CB LYS A 40 -9.857 -3.331 -5.468 1.00 0.00 C ATOM 551 CG LYS A 40 -10.817 -4.365 -4.905 1.00 0.00 C ATOM 552 CD LYS A 40 -10.076 -5.479 -4.184 1.00 0.00 C ATOM 553 CE LYS A 40 -10.955 -6.707 -4.003 1.00 0.00 C ATOM 554 NZ LYS A 40 -10.979 -7.556 -5.226 1.00 0.00 N ATOM 0 H LYS A 40 -11.764 -2.099 -4.504 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.068 -2.398 -3.698 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -10.223 -2.998 -6.439 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -8.888 -3.801 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.510 -3.882 -4.216 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.414 -4.787 -5.714 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -9.184 -5.749 -4.749 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.741 -5.123 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.590 -7.294 -3.160 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.970 -6.394 -3.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.589 -8.383 -5.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.351 -7.004 -6.025 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -10.014 -7.876 -5.446 1.00 0.00 H new ATOM 568 N CYS A 41 -7.952 -0.403 -4.663 1.00 0.00 N ATOM 569 CA CYS A 41 -7.172 0.667 -5.275 1.00 0.00 C ATOM 570 C CYS A 41 -5.702 0.274 -5.383 1.00 0.00 C ATOM 571 O CYS A 41 -4.964 0.815 -6.207 1.00 0.00 O ATOM 572 CB CYS A 41 -7.310 1.956 -4.464 1.00 0.00 C ATOM 573 SG CYS A 41 -6.958 1.760 -2.702 1.00 0.00 S ATOM 0 H CYS A 41 -7.676 -0.633 -3.708 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.559 0.836 -6.280 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.636 2.706 -4.877 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -8.324 2.339 -4.581 1.00 0.00 H new ATOM 0 HG CYS A 41 -7.901 1.059 -2.146 1.00 0.00 H new ATOM 579 N ILE A 42 -5.284 -0.668 -4.544 1.00 0.00 N ATOM 580 CA ILE A 42 -3.902 -1.132 -4.545 1.00 0.00 C ATOM 581 C ILE A 42 -3.709 -2.283 -5.526 1.00 0.00 C ATOM 582 O ILE A 42 -4.090 -3.419 -5.247 1.00 0.00 O ATOM 583 CB ILE A 42 -3.461 -1.589 -3.142 1.00 0.00 C ATOM 584 CG1 ILE A 42 -3.667 -0.463 -2.126 1.00 0.00 C ATOM 585 CG2 ILE A 42 -2.005 -2.031 -3.162 1.00 0.00 C ATOM 586 CD1 ILE A 42 -3.764 -0.949 -0.697 1.00 0.00 C ATOM 0 H ILE A 42 -5.882 -1.125 -3.855 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.286 -0.288 -4.854 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.075 -2.439 -2.844 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.840 0.243 -2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -4.577 0.081 -2.379 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.708 -2.351 -2.163 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.886 -2.860 -3.859 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.376 -1.199 -3.478 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -3.909 -0.098 -0.032 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.608 -1.632 -0.602 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.845 -1.468 -0.426 1.00 0.00 H new ATOM 598 N GLN A 43 -3.114 -1.980 -6.675 1.00 0.00 N ATOM 599 CA GLN A 43 -2.869 -2.990 -7.698 1.00 0.00 C ATOM 600 C GLN A 43 -1.501 -3.636 -7.508 1.00 0.00 C ATOM 601 O GLN A 43 -0.469 -2.994 -7.697 1.00 0.00 O ATOM 602 CB GLN A 43 -2.964 -2.368 -9.092 1.00 0.00 C ATOM 603 CG GLN A 43 -3.296 -3.371 -10.185 1.00 0.00 C ATOM 604 CD GLN A 43 -3.059 -2.819 -11.577 1.00 0.00 C ATOM 605 OE1 GLN A 43 -2.131 -2.040 -11.798 1.00 0.00 O ATOM 606 NE2 GLN A 43 -3.899 -3.219 -12.524 1.00 0.00 N ATOM 0 H GLN A 43 -2.793 -1.044 -6.921 1.00 0.00 H new ATOM 0 HA GLN A 43 -3.632 -3.763 -7.600 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -3.726 -1.589 -9.082 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -2.017 -1.884 -9.330 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -2.691 -4.267 -10.046 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -4.339 -3.673 -10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -4.654 -3.866 -12.296 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -3.789 -2.880 -13.480 1.00 0.00 H new ATOM 615 N ASN A 44 -1.501 -4.912 -7.135 1.00 0.00 N ATOM 616 CA ASN A 44 -0.259 -5.645 -6.919 1.00 0.00 C ATOM 617 C ASN A 44 0.529 -5.776 -8.219 1.00 0.00 C ATOM 618 O ASN A 44 0.040 -5.421 -9.290 1.00 0.00 O ATOM 619 CB ASN A 44 -0.554 -7.033 -6.346 1.00 0.00 C ATOM 620 CG ASN A 44 -1.282 -7.923 -7.335 1.00 0.00 C ATOM 621 OD1 ASN A 44 -1.560 -7.518 -8.464 1.00 0.00 O ATOM 622 ND2 ASN A 44 -1.595 -9.143 -6.914 1.00 0.00 N ATOM 0 H ASN A 44 -2.347 -5.459 -6.976 1.00 0.00 H new ATOM 0 HA ASN A 44 0.344 -5.085 -6.204 1.00 0.00 H new ATOM 0 HB2 ASN A 44 0.382 -7.509 -6.053 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -1.155 -6.930 -5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -2.086 -9.787 -7.535 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.345 -9.436 -5.970 1.00 0.00 H new ATOM 629 N GLU A 45 1.751 -6.288 -8.115 1.00 0.00 N ATOM 630 CA GLU A 45 2.606 -6.466 -9.283 1.00 0.00 C ATOM 631 C GLU A 45 1.982 -7.448 -10.270 1.00 0.00 C ATOM 632 O GLU A 45 2.341 -7.474 -11.446 1.00 0.00 O ATOM 633 CB GLU A 45 3.990 -6.962 -8.859 1.00 0.00 C ATOM 634 CG GLU A 45 4.665 -6.075 -7.826 1.00 0.00 C ATOM 635 CD GLU A 45 6.177 -6.095 -7.938 1.00 0.00 C ATOM 636 OE1 GLU A 45 6.790 -7.092 -7.501 1.00 0.00 O ATOM 637 OE2 GLU A 45 6.747 -5.116 -8.461 1.00 0.00 O ATOM 0 H GLU A 45 2.171 -6.587 -7.235 1.00 0.00 H new ATOM 0 HA GLU A 45 2.710 -5.499 -9.776 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.897 -7.970 -8.455 1.00 0.00 H new ATOM 0 HB3 GLU A 45 4.628 -7.029 -9.740 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.309 -5.051 -7.944 1.00 0.00 H new ATOM 0 HG3 GLU A 45 4.374 -6.401 -6.827 1.00 0.00 H new ATOM 644 N ALA A 46 1.046 -8.255 -9.781 1.00 0.00 N ATOM 645 CA ALA A 46 0.370 -9.237 -10.619 1.00 0.00 C ATOM 646 C ALA A 46 -0.757 -8.594 -11.419 1.00 0.00 C ATOM 647 O ALA A 46 -1.288 -9.193 -12.353 1.00 0.00 O ATOM 648 CB ALA A 46 -0.168 -10.377 -9.766 1.00 0.00 C ATOM 0 H ALA A 46 0.739 -8.248 -8.808 1.00 0.00 H new ATOM 0 HA ALA A 46 1.097 -9.638 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -0.671 -11.103 -10.405 1.00 0.00 H new ATOM 0 HB2 ALA A 46 0.657 -10.862 -9.244 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.876 -9.983 -9.037 1.00 0.00 H new ATOM 654 N GLY A 47 -1.119 -7.371 -11.045 1.00 0.00 N ATOM 655 CA GLY A 47 -2.182 -6.667 -11.739 1.00 0.00 C ATOM 656 C GLY A 47 -3.488 -6.687 -10.969 1.00 0.00 C ATOM 657 O GLY A 47 -4.346 -5.827 -11.168 1.00 0.00 O ATOM 0 H GLY A 47 -0.695 -6.855 -10.274 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.879 -5.634 -11.909 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.334 -7.119 -12.719 1.00 0.00 H new ATOM 661 N ASP A 48 -3.640 -7.671 -10.090 1.00 0.00 N ATOM 662 CA ASP A 48 -4.851 -7.800 -9.288 1.00 0.00 C ATOM 663 C ASP A 48 -4.953 -6.667 -8.272 1.00 0.00 C ATOM 664 O ASP A 48 -3.982 -6.344 -7.588 1.00 0.00 O ATOM 665 CB ASP A 48 -4.871 -9.150 -8.569 1.00 0.00 C ATOM 666 CG ASP A 48 -5.320 -10.280 -9.473 1.00 0.00 C ATOM 667 OD1 ASP A 48 -5.187 -10.142 -10.708 1.00 0.00 O ATOM 668 OD2 ASP A 48 -5.805 -11.304 -8.947 1.00 0.00 O ATOM 0 H ASP A 48 -2.939 -8.391 -9.915 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.709 -7.741 -9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -3.874 -9.369 -8.186 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -5.537 -9.090 -7.708 1.00 0.00 H new ATOM 673 N TRP A 49 -6.134 -6.067 -8.179 1.00 0.00 N ATOM 674 CA TRP A 49 -6.362 -4.969 -7.247 1.00 0.00 C ATOM 675 C TRP A 49 -6.741 -5.495 -5.867 1.00 0.00 C ATOM 676 O TRP A 49 -7.438 -6.503 -5.747 1.00 0.00 O ATOM 677 CB TRP A 49 -7.462 -4.045 -7.774 1.00 0.00 C ATOM 678 CG TRP A 49 -7.121 -3.401 -9.083 1.00 0.00 C ATOM 679 CD1 TRP A 49 -7.226 -3.961 -10.324 1.00 0.00 C ATOM 680 CD2 TRP A 49 -6.617 -2.075 -9.280 1.00 0.00 C ATOM 681 NE1 TRP A 49 -6.817 -3.063 -11.281 1.00 0.00 N ATOM 682 CE2 TRP A 49 -6.440 -1.898 -10.666 1.00 0.00 C ATOM 683 CE3 TRP A 49 -6.300 -1.020 -8.420 1.00 0.00 C ATOM 684 CZ2 TRP A 49 -5.959 -0.710 -11.209 1.00 0.00 C ATOM 685 CZ3 TRP A 49 -5.823 0.159 -8.961 1.00 0.00 C ATOM 686 CH2 TRP A 49 -5.657 0.307 -10.344 1.00 0.00 C ATOM 0 H TRP A 49 -6.948 -6.322 -8.737 1.00 0.00 H new ATOM 0 HA TRP A 49 -5.434 -4.404 -7.157 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -8.383 -4.617 -7.888 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.658 -3.268 -7.035 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -7.578 -4.962 -10.524 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -6.797 -3.236 -12.286 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.425 -1.124 -7.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.829 -0.595 -12.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -5.574 0.981 -8.306 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -5.283 1.242 -10.735 1.00 0.00 H new ATOM 697 N LEU A 50 -6.279 -4.808 -4.828 1.00 0.00 N ATOM 698 CA LEU A 50 -6.570 -5.207 -3.456 1.00 0.00 C ATOM 699 C LEU A 50 -7.084 -4.024 -2.643 1.00 0.00 C ATOM 700 O LEU A 50 -6.594 -2.903 -2.778 1.00 0.00 O ATOM 701 CB LEU A 50 -5.318 -5.790 -2.796 1.00 0.00 C ATOM 702 CG LEU A 50 -4.609 -6.878 -3.602 1.00 0.00 C ATOM 703 CD1 LEU A 50 -5.613 -7.886 -4.140 1.00 0.00 C ATOM 704 CD2 LEU A 50 -3.809 -6.262 -4.740 1.00 0.00 C ATOM 0 H LEU A 50 -5.701 -3.972 -4.910 1.00 0.00 H new ATOM 0 HA LEU A 50 -7.347 -5.971 -3.483 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.613 -4.980 -2.610 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -5.595 -6.201 -1.825 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.919 -7.401 -2.940 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -5.089 -8.652 -4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.143 -8.351 -3.309 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.328 -7.378 -4.787 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -3.311 -7.051 -5.303 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -4.480 -5.713 -5.401 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -3.062 -5.580 -4.333 1.00 0.00 H new ATOM 716 N THR A 51 -8.076 -4.282 -1.796 1.00 0.00 N ATOM 717 CA THR A 51 -8.659 -3.240 -0.961 1.00 0.00 C ATOM 718 C THR A 51 -7.719 -2.856 0.176 1.00 0.00 C ATOM 719 O THR A 51 -6.954 -3.685 0.669 1.00 0.00 O ATOM 720 CB THR A 51 -10.009 -3.685 -0.367 1.00 0.00 C ATOM 721 OG1 THR A 51 -9.815 -4.799 0.510 1.00 0.00 O ATOM 722 CG2 THR A 51 -10.986 -4.065 -1.470 1.00 0.00 C ATOM 0 H THR A 51 -8.492 -5.205 -1.671 1.00 0.00 H new ATOM 0 HA THR A 51 -8.821 -2.374 -1.604 1.00 0.00 H new ATOM 0 HB THR A 51 -10.427 -2.850 0.195 1.00 0.00 H new ATOM 0 HG1 THR A 51 -10.678 -5.075 0.885 1.00 0.00 H new ATOM 0 HG21 THR A 51 -11.932 -4.376 -1.027 1.00 0.00 H new ATOM 0 HG22 THR A 51 -11.154 -3.206 -2.119 1.00 0.00 H new ATOM 0 HG23 THR A 51 -10.572 -4.886 -2.055 1.00 0.00 H new ATOM 730 N VAL A 52 -7.781 -1.594 0.588 1.00 0.00 N ATOM 731 CA VAL A 52 -6.935 -1.100 1.669 1.00 0.00 C ATOM 732 C VAL A 52 -6.704 -2.178 2.721 1.00 0.00 C ATOM 733 O VAL A 52 -5.665 -2.206 3.381 1.00 0.00 O ATOM 734 CB VAL A 52 -7.554 0.137 2.345 1.00 0.00 C ATOM 735 CG1 VAL A 52 -6.694 0.594 3.513 1.00 0.00 C ATOM 736 CG2 VAL A 52 -7.737 1.260 1.335 1.00 0.00 C ATOM 0 H VAL A 52 -8.408 -0.895 0.190 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.981 -0.821 1.222 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.536 -0.135 2.733 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -7.147 1.469 3.978 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -6.620 -0.209 4.246 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -5.698 0.850 3.153 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -8.176 2.127 1.830 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -6.769 1.533 0.915 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -8.398 0.926 0.535 1.00 0.00 H new ATOM 746 N LYS A 53 -7.680 -3.067 2.874 1.00 0.00 N ATOM 747 CA LYS A 53 -7.583 -4.150 3.846 1.00 0.00 C ATOM 748 C LYS A 53 -6.873 -5.359 3.244 1.00 0.00 C ATOM 749 O LYS A 53 -5.891 -5.851 3.797 1.00 0.00 O ATOM 750 CB LYS A 53 -8.978 -4.554 4.330 1.00 0.00 C ATOM 751 CG LYS A 53 -9.476 -3.728 5.504 1.00 0.00 C ATOM 752 CD LYS A 53 -10.703 -4.353 6.145 1.00 0.00 C ATOM 753 CE LYS A 53 -10.322 -5.467 7.108 1.00 0.00 C ATOM 754 NZ LYS A 53 -10.060 -4.949 8.479 1.00 0.00 N ATOM 0 H LYS A 53 -8.547 -3.059 2.337 1.00 0.00 H new ATOM 0 HA LYS A 53 -6.999 -3.793 4.694 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -9.682 -4.458 3.504 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -8.964 -5.606 4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -8.684 -3.635 6.247 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -9.715 -2.720 5.165 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -11.267 -3.587 6.678 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -11.358 -4.749 5.369 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -11.124 -6.205 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -9.434 -5.980 6.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -9.804 -5.739 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.278 -4.264 8.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -10.915 -4.482 8.843 1.00 0.00 H new ATOM 768 N GLU A 54 -7.377 -5.831 2.108 1.00 0.00 N ATOM 769 CA GLU A 54 -6.790 -6.982 1.432 1.00 0.00 C ATOM 770 C GLU A 54 -5.273 -6.843 1.341 1.00 0.00 C ATOM 771 O GLU A 54 -4.530 -7.647 1.905 1.00 0.00 O ATOM 772 CB GLU A 54 -7.383 -7.136 0.030 1.00 0.00 C ATOM 773 CG GLU A 54 -8.770 -7.758 0.022 1.00 0.00 C ATOM 774 CD GLU A 54 -8.730 -9.269 -0.102 1.00 0.00 C ATOM 775 OE1 GLU A 54 -8.520 -9.767 -1.228 1.00 0.00 O ATOM 776 OE2 GLU A 54 -8.910 -9.953 0.927 1.00 0.00 O ATOM 0 H GLU A 54 -8.190 -5.434 1.637 1.00 0.00 H new ATOM 0 HA GLU A 54 -7.023 -7.872 2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -7.430 -6.156 -0.445 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.715 -7.751 -0.573 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.292 -7.486 0.940 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.345 -7.344 -0.806 1.00 0.00 H new ATOM 783 N PHE A 55 -4.820 -5.818 0.627 1.00 0.00 N ATOM 784 CA PHE A 55 -3.392 -5.574 0.461 1.00 0.00 C ATOM 785 C PHE A 55 -2.623 -5.964 1.719 1.00 0.00 C ATOM 786 O PHE A 55 -1.573 -6.602 1.646 1.00 0.00 O ATOM 787 CB PHE A 55 -3.140 -4.101 0.131 1.00 0.00 C ATOM 788 CG PHE A 55 -1.711 -3.802 -0.223 1.00 0.00 C ATOM 789 CD1 PHE A 55 -1.041 -4.570 -1.162 1.00 0.00 C ATOM 790 CD2 PHE A 55 -1.038 -2.753 0.382 1.00 0.00 C ATOM 791 CE1 PHE A 55 0.273 -4.297 -1.491 1.00 0.00 C ATOM 792 CE2 PHE A 55 0.276 -2.476 0.057 1.00 0.00 C ATOM 793 CZ PHE A 55 0.933 -3.249 -0.880 1.00 0.00 C ATOM 0 H PHE A 55 -5.421 -5.143 0.154 1.00 0.00 H new ATOM 0 HA PHE A 55 -3.037 -6.190 -0.365 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -3.781 -3.808 -0.701 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -3.429 -3.491 0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.552 -5.391 -1.642 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -1.546 -2.145 1.116 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.783 -4.903 -2.225 1.00 0.00 H new ATOM 0 HE2 PHE A 55 0.789 -1.655 0.536 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.960 -3.034 -1.134 1.00 0.00 H new ATOM 803 N LEU A 56 -3.153 -5.574 2.874 1.00 0.00 N ATOM 804 CA LEU A 56 -2.517 -5.882 4.150 1.00 0.00 C ATOM 805 C LEU A 56 -2.411 -7.390 4.355 1.00 0.00 C ATOM 806 O LEU A 56 -1.327 -7.919 4.596 1.00 0.00 O ATOM 807 CB LEU A 56 -3.306 -5.253 5.301 1.00 0.00 C ATOM 808 CG LEU A 56 -3.668 -3.780 5.108 1.00 0.00 C ATOM 809 CD1 LEU A 56 -4.496 -3.276 6.279 1.00 0.00 C ATOM 810 CD2 LEU A 56 -2.411 -2.940 4.941 1.00 0.00 C ATOM 0 H LEU A 56 -4.021 -5.044 2.953 1.00 0.00 H new ATOM 0 HA LEU A 56 -1.510 -5.464 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.225 -5.821 5.445 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.724 -5.351 6.217 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.266 -3.688 4.201 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -4.744 -2.226 6.124 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.414 -3.859 6.353 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -3.924 -3.381 7.201 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -2.688 -1.894 4.805 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -1.787 -3.038 5.830 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -1.856 -3.285 4.069 1.00 0.00 H new ATOM 822 N ASN A 57 -3.545 -8.076 4.258 1.00 0.00 N ATOM 823 CA ASN A 57 -3.581 -9.523 4.434 1.00 0.00 C ATOM 824 C ASN A 57 -2.496 -10.199 3.601 1.00 0.00 C ATOM 825 O ASN A 57 -1.838 -11.131 4.061 1.00 0.00 O ATOM 826 CB ASN A 57 -4.955 -10.072 4.044 1.00 0.00 C ATOM 827 CG ASN A 57 -5.325 -11.315 4.829 1.00 0.00 C ATOM 828 OD1 ASN A 57 -4.690 -12.361 4.691 1.00 0.00 O ATOM 829 ND2 ASN A 57 -6.357 -11.206 5.658 1.00 0.00 N ATOM 0 H ASN A 57 -4.451 -7.653 4.058 1.00 0.00 H new ATOM 0 HA ASN A 57 -3.396 -9.741 5.486 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -5.710 -9.304 4.209 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.962 -10.303 2.979 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -6.653 -12.009 6.213 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -6.854 -10.319 5.740 1.00 0.00 H new ATOM 836 N GLU A 58 -2.315 -9.721 2.374 1.00 0.00 N ATOM 837 CA GLU A 58 -1.310 -10.279 1.477 1.00 0.00 C ATOM 838 C GLU A 58 0.063 -10.297 2.143 1.00 0.00 C ATOM 839 O GLU A 58 0.865 -11.200 1.912 1.00 0.00 O ATOM 840 CB GLU A 58 -1.249 -9.473 0.178 1.00 0.00 C ATOM 841 CG GLU A 58 -2.176 -9.996 -0.906 1.00 0.00 C ATOM 842 CD GLU A 58 -1.667 -11.276 -1.541 1.00 0.00 C ATOM 843 OE1 GLU A 58 -1.163 -12.146 -0.802 1.00 0.00 O ATOM 844 OE2 GLU A 58 -1.775 -11.407 -2.779 1.00 0.00 O ATOM 0 H GLU A 58 -2.851 -8.949 1.978 1.00 0.00 H new ATOM 0 HA GLU A 58 -1.596 -11.305 1.246 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -1.503 -8.435 0.392 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -0.225 -9.480 -0.196 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.163 -10.174 -0.480 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.294 -9.234 -1.677 1.00 0.00 H new ATOM 851 N GLY A 59 0.327 -9.289 2.970 1.00 0.00 N ATOM 852 CA GLY A 59 1.603 -9.207 3.655 1.00 0.00 C ATOM 853 C GLY A 59 1.566 -9.849 5.028 1.00 0.00 C ATOM 854 O GLY A 59 2.540 -10.465 5.459 1.00 0.00 O ATOM 0 H GLY A 59 -0.320 -8.528 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 59 2.368 -9.693 3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 59 1.892 -8.161 3.754 1.00 0.00 H new ATOM 858 N GLY A 60 0.439 -9.703 5.718 1.00 0.00 N ATOM 859 CA GLY A 60 0.302 -10.277 7.044 1.00 0.00 C ATOM 860 C GLY A 60 -0.025 -9.236 8.096 1.00 0.00 C ATOM 861 O GLY A 60 0.317 -9.399 9.267 1.00 0.00 O ATOM 0 H GLY A 60 -0.381 -9.198 5.383 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -0.483 -11.033 7.030 1.00 0.00 H new ATOM 0 HA3 GLY A 60 1.228 -10.784 7.315 1.00 0.00 H new ATOM 865 N ARG A 61 -0.689 -8.163 7.678 1.00 0.00 N ATOM 866 CA ARG A 61 -1.059 -7.090 8.593 1.00 0.00 C ATOM 867 C ARG A 61 -2.575 -7.002 8.742 1.00 0.00 C ATOM 868 O ARG A 61 -3.106 -5.993 9.204 1.00 0.00 O ATOM 869 CB ARG A 61 -0.507 -5.753 8.095 1.00 0.00 C ATOM 870 CG ARG A 61 0.988 -5.592 8.315 1.00 0.00 C ATOM 871 CD ARG A 61 1.316 -5.384 9.786 1.00 0.00 C ATOM 872 NE ARG A 61 2.669 -5.825 10.113 1.00 0.00 N ATOM 873 CZ ARG A 61 3.112 -5.976 11.356 1.00 0.00 C ATOM 874 NH1 ARG A 61 2.313 -5.725 12.383 1.00 0.00 N ATOM 875 NH2 ARG A 61 4.357 -6.381 11.573 1.00 0.00 N ATOM 0 H ARG A 61 -0.981 -8.014 6.712 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.627 -7.313 9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.722 -5.655 7.031 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -1.030 -4.942 8.602 1.00 0.00 H new ATOM 0 HG2 ARG A 61 1.508 -6.476 7.947 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.353 -4.743 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 61 1.209 -4.328 10.035 1.00 0.00 H new ATOM 0 HD3 ARG A 61 0.599 -5.931 10.398 1.00 0.00 H new ATOM 0 HE ARG A 61 3.309 -6.028 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 61 1.355 -5.415 12.220 1.00 0.00 H new ATOM 0 HH12 ARG A 61 2.656 -5.842 13.336 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.974 -6.577 10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 61 4.697 -6.497 12.528 1.00 0.00 H new ATOM 889 N ALA A 62 -3.267 -8.066 8.347 1.00 0.00 N ATOM 890 CA ALA A 62 -4.721 -8.110 8.438 1.00 0.00 C ATOM 891 C ALA A 62 -5.196 -7.696 9.826 1.00 0.00 C ATOM 892 O ALA A 62 -6.191 -6.983 9.967 1.00 0.00 O ATOM 893 CB ALA A 62 -5.229 -9.503 8.097 1.00 0.00 C ATOM 0 H ALA A 62 -2.843 -8.910 7.961 1.00 0.00 H new ATOM 0 HA ALA A 62 -5.128 -7.401 7.717 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -6.316 -9.521 8.169 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.928 -9.762 7.082 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -4.807 -10.225 8.796 1.00 0.00 H new ATOM 899 N THR A 63 -4.480 -8.148 10.851 1.00 0.00 N ATOM 900 CA THR A 63 -4.830 -7.826 12.229 1.00 0.00 C ATOM 901 C THR A 63 -4.742 -6.326 12.483 1.00 0.00 C ATOM 902 O THR A 63 -5.487 -5.780 13.297 1.00 0.00 O ATOM 903 CB THR A 63 -3.914 -8.559 13.227 1.00 0.00 C ATOM 904 OG1 THR A 63 -4.278 -8.216 14.569 1.00 0.00 O ATOM 905 CG2 THR A 63 -2.455 -8.203 12.985 1.00 0.00 C ATOM 0 H THR A 63 -3.654 -8.738 10.753 1.00 0.00 H new ATOM 0 HA THR A 63 -5.858 -8.157 12.379 1.00 0.00 H new ATOM 0 HB THR A 63 -4.039 -9.632 13.080 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.692 -8.687 15.197 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.828 -8.733 13.702 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.173 -8.492 11.973 1.00 0.00 H new ATOM 0 HG23 THR A 63 -2.318 -7.129 13.107 1.00 0.00 H new ATOM 913 N SER A 64 -3.828 -5.665 11.781 1.00 0.00 N ATOM 914 CA SER A 64 -3.640 -4.226 11.933 1.00 0.00 C ATOM 915 C SER A 64 -4.808 -3.459 11.322 1.00 0.00 C ATOM 916 O SER A 64 -5.385 -3.877 10.318 1.00 0.00 O ATOM 917 CB SER A 64 -2.329 -3.790 11.276 1.00 0.00 C ATOM 918 OG SER A 64 -1.229 -4.002 12.144 1.00 0.00 O ATOM 0 H SER A 64 -3.206 -6.102 11.101 1.00 0.00 H new ATOM 0 HA SER A 64 -3.597 -4.000 12.998 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.179 -4.347 10.351 1.00 0.00 H new ATOM 0 HB3 SER A 64 -2.386 -2.735 11.007 1.00 0.00 H new ATOM 0 HG SER A 64 -0.403 -3.717 11.701 1.00 0.00 H new ATOM 924 N LYS A 65 -5.153 -2.332 11.935 1.00 0.00 N ATOM 925 CA LYS A 65 -6.251 -1.502 11.453 1.00 0.00 C ATOM 926 C LYS A 65 -5.734 -0.381 10.558 1.00 0.00 C ATOM 927 O LYS A 65 -6.036 -0.336 9.366 1.00 0.00 O ATOM 928 CB LYS A 65 -7.027 -0.912 12.633 1.00 0.00 C ATOM 929 CG LYS A 65 -8.453 -0.518 12.287 1.00 0.00 C ATOM 930 CD LYS A 65 -9.339 -1.739 12.106 1.00 0.00 C ATOM 931 CE LYS A 65 -10.812 -1.360 12.089 1.00 0.00 C ATOM 932 NZ LYS A 65 -11.680 -2.520 11.743 1.00 0.00 N ATOM 0 H LYS A 65 -4.687 -1.972 12.768 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.919 -2.132 10.865 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.047 -1.640 13.444 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.496 -0.035 13.004 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -8.859 0.114 13.077 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -8.456 0.074 11.372 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -9.081 -2.243 11.174 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -9.154 -2.448 12.913 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -11.098 -0.971 13.066 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -10.972 -0.559 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -12.676 -2.220 11.742 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -11.425 -2.876 10.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -11.546 -3.275 12.445 1.00 0.00 H new ATOM 946 N ASP A 66 -4.953 0.522 11.141 1.00 0.00 N ATOM 947 CA ASP A 66 -4.391 1.642 10.395 1.00 0.00 C ATOM 948 C ASP A 66 -3.573 1.148 9.206 1.00 0.00 C ATOM 949 O ASP A 66 -2.490 0.589 9.375 1.00 0.00 O ATOM 950 CB ASP A 66 -3.518 2.504 11.308 1.00 0.00 C ATOM 951 CG ASP A 66 -2.990 3.740 10.606 1.00 0.00 C ATOM 952 OD1 ASP A 66 -3.763 4.371 9.856 1.00 0.00 O ATOM 953 OD2 ASP A 66 -1.803 4.075 10.807 1.00 0.00 O ATOM 0 H ASP A 66 -4.695 0.500 12.128 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.217 2.246 10.019 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.097 2.805 12.181 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.679 1.910 11.671 1.00 0.00 H new ATOM 958 N TRP A 67 -4.099 1.358 8.005 1.00 0.00 N ATOM 959 CA TRP A 67 -3.418 0.932 6.787 1.00 0.00 C ATOM 960 C TRP A 67 -2.318 1.918 6.406 1.00 0.00 C ATOM 961 O TRP A 67 -1.327 1.545 5.779 1.00 0.00 O ATOM 962 CB TRP A 67 -4.419 0.797 5.639 1.00 0.00 C ATOM 963 CG TRP A 67 -5.215 2.043 5.395 1.00 0.00 C ATOM 964 CD1 TRP A 67 -6.341 2.439 6.059 1.00 0.00 C ATOM 965 CD2 TRP A 67 -4.947 3.054 4.418 1.00 0.00 C ATOM 966 NE1 TRP A 67 -6.789 3.635 5.553 1.00 0.00 N ATOM 967 CE2 TRP A 67 -5.951 4.034 4.546 1.00 0.00 C ATOM 968 CE3 TRP A 67 -3.956 3.228 3.448 1.00 0.00 C ATOM 969 CZ2 TRP A 67 -5.990 5.169 3.740 1.00 0.00 C ATOM 970 CZ3 TRP A 67 -3.997 4.354 2.649 1.00 0.00 C ATOM 971 CH2 TRP A 67 -5.007 5.313 2.799 1.00 0.00 C ATOM 0 H TRP A 67 -4.994 1.820 7.848 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.961 -0.039 6.976 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -3.882 0.533 4.728 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -5.101 -0.025 5.856 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -6.810 1.892 6.864 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -7.612 4.144 5.875 1.00 0.00 H new ATOM 0 HE3 TRP A 67 -3.172 2.495 3.325 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 -6.768 5.909 3.854 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 -3.237 4.498 1.895 1.00 0.00 H new ATOM 0 HH2 TRP A 67 -5.010 6.183 2.159 1.00 0.00 H new ATOM 982 N LYS A 68 -2.500 3.177 6.789 1.00 0.00 N ATOM 983 CA LYS A 68 -1.522 4.216 6.489 1.00 0.00 C ATOM 984 C LYS A 68 -0.221 3.974 7.246 1.00 0.00 C ATOM 985 O LYS A 68 0.846 4.422 6.826 1.00 0.00 O ATOM 986 CB LYS A 68 -2.085 5.593 6.849 1.00 0.00 C ATOM 987 CG LYS A 68 -3.175 6.071 5.905 1.00 0.00 C ATOM 988 CD LYS A 68 -3.692 7.444 6.299 1.00 0.00 C ATOM 989 CE LYS A 68 -4.897 7.847 5.462 1.00 0.00 C ATOM 990 NZ LYS A 68 -5.770 8.818 6.179 1.00 0.00 N ATOM 0 H LYS A 68 -3.316 3.503 7.308 1.00 0.00 H new ATOM 0 HA LYS A 68 -1.311 4.184 5.420 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -2.483 5.559 7.863 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -1.272 6.320 6.850 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.786 6.106 4.887 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.998 5.357 5.907 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -3.965 7.442 7.354 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -2.899 8.182 6.176 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -4.557 8.287 4.525 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.475 6.959 5.206 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -6.580 9.068 5.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -6.115 8.389 7.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -5.226 9.676 6.401 1.00 0.00 H new ATOM 1004 N GLY A 69 -0.315 3.261 8.364 1.00 0.00 N ATOM 1005 CA GLY A 69 0.863 2.971 9.161 1.00 0.00 C ATOM 1006 C GLY A 69 1.570 1.708 8.711 1.00 0.00 C ATOM 1007 O GLY A 69 2.798 1.672 8.624 1.00 0.00 O ATOM 0 H GLY A 69 -1.186 2.879 8.732 1.00 0.00 H new ATOM 0 HA2 GLY A 69 1.554 3.812 9.101 1.00 0.00 H new ATOM 0 HA3 GLY A 69 0.574 2.869 10.207 1.00 0.00 H new ATOM 1011 N VAL A 70 0.795 0.667 8.424 1.00 0.00 N ATOM 1012 CA VAL A 70 1.354 -0.604 7.981 1.00 0.00 C ATOM 1013 C VAL A 70 1.978 -0.477 6.596 1.00 0.00 C ATOM 1014 O VAL A 70 3.028 -1.059 6.321 1.00 0.00 O ATOM 1015 CB VAL A 70 0.281 -1.709 7.949 1.00 0.00 C ATOM 1016 CG1 VAL A 70 -0.249 -1.979 9.348 1.00 0.00 C ATOM 1017 CG2 VAL A 70 -0.849 -1.326 7.005 1.00 0.00 C ATOM 0 H VAL A 70 -0.223 0.679 8.491 1.00 0.00 H new ATOM 0 HA VAL A 70 2.126 -0.878 8.700 1.00 0.00 H new ATOM 0 HB VAL A 70 0.739 -2.626 7.578 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.006 -2.762 9.305 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.570 -2.300 9.992 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.692 -1.068 9.751 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.598 -2.118 6.994 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -1.307 -0.397 7.344 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.452 -1.189 5.999 1.00 0.00 H new ATOM 1027 N ILE A 71 1.326 0.288 5.727 1.00 0.00 N ATOM 1028 CA ILE A 71 1.819 0.493 4.371 1.00 0.00 C ATOM 1029 C ILE A 71 2.893 1.575 4.333 1.00 0.00 C ATOM 1030 O ILE A 71 2.714 2.661 4.885 1.00 0.00 O ATOM 1031 CB ILE A 71 0.679 0.884 3.411 1.00 0.00 C ATOM 1032 CG1 ILE A 71 -0.408 -0.193 3.410 1.00 0.00 C ATOM 1033 CG2 ILE A 71 1.220 1.099 2.006 1.00 0.00 C ATOM 1034 CD1 ILE A 71 -1.685 0.238 2.724 1.00 0.00 C ATOM 0 H ILE A 71 0.455 0.776 5.938 1.00 0.00 H new ATOM 0 HA ILE A 71 2.249 -0.454 4.046 1.00 0.00 H new ATOM 0 HB ILE A 71 0.238 1.819 3.756 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -0.023 -1.085 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.634 -0.471 4.440 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.403 1.375 1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 71 1.962 1.898 2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.684 0.179 1.650 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -2.410 -0.575 2.761 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.093 1.112 3.231 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -1.473 0.488 1.684 1.00 0.00 H new ATOM 1046 N ARG A 72 4.008 1.271 3.678 1.00 0.00 N ATOM 1047 CA ARG A 72 5.112 2.218 3.568 1.00 0.00 C ATOM 1048 C ARG A 72 5.351 2.607 2.112 1.00 0.00 C ATOM 1049 O ARG A 72 5.282 1.767 1.215 1.00 0.00 O ATOM 1050 CB ARG A 72 6.388 1.618 4.162 1.00 0.00 C ATOM 1051 CG ARG A 72 6.219 1.119 5.588 1.00 0.00 C ATOM 1052 CD ARG A 72 7.530 0.594 6.153 1.00 0.00 C ATOM 1053 NE ARG A 72 7.769 -0.797 5.780 1.00 0.00 N ATOM 1054 CZ ARG A 72 8.978 -1.346 5.725 1.00 0.00 C ATOM 1055 NH1 ARG A 72 10.051 -0.625 6.018 1.00 0.00 N ATOM 1056 NH2 ARG A 72 9.114 -2.619 5.376 1.00 0.00 N ATOM 0 H ARG A 72 4.171 0.377 3.215 1.00 0.00 H new ATOM 0 HA ARG A 72 4.845 3.115 4.127 1.00 0.00 H new ATOM 0 HB2 ARG A 72 6.718 0.791 3.533 1.00 0.00 H new ATOM 0 HB3 ARG A 72 7.177 2.369 4.140 1.00 0.00 H new ATOM 0 HG2 ARG A 72 5.849 1.929 6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 72 5.469 0.329 5.612 1.00 0.00 H new ATOM 0 HD2 ARG A 72 8.353 1.212 5.794 1.00 0.00 H new ATOM 0 HD3 ARG A 72 7.517 0.681 7.239 1.00 0.00 H new ATOM 0 HE ARG A 72 6.964 -1.379 5.549 1.00 0.00 H new ATOM 0 HH11 ARG A 72 9.950 0.354 6.287 1.00 0.00 H new ATOM 0 HH12 ARG A 72 10.978 -1.049 5.975 1.00 0.00 H new ATOM 0 HH21 ARG A 72 8.290 -3.177 5.150 1.00 0.00 H new ATOM 0 HH22 ARG A 72 10.042 -3.040 5.334 1.00 0.00 H new ATOM 1070 N CYS A 73 5.630 3.886 1.886 1.00 0.00 N ATOM 1071 CA CYS A 73 5.878 4.388 0.539 1.00 0.00 C ATOM 1072 C CYS A 73 7.260 5.025 0.441 1.00 0.00 C ATOM 1073 O CYS A 73 7.483 6.128 0.939 1.00 0.00 O ATOM 1074 CB CYS A 73 4.806 5.405 0.146 1.00 0.00 C ATOM 1075 SG CYS A 73 5.116 6.234 -1.431 1.00 0.00 S ATOM 0 H CYS A 73 5.690 4.594 2.618 1.00 0.00 H new ATOM 0 HA CYS A 73 5.838 3.544 -0.149 1.00 0.00 H new ATOM 0 HB2 CYS A 73 3.842 4.899 0.095 1.00 0.00 H new ATOM 0 HB3 CYS A 73 4.730 6.158 0.931 1.00 0.00 H new ATOM 0 HG CYS A 73 4.959 5.387 -2.405 1.00 0.00 H new ATOM 1081 N ASN A 74 8.186 4.321 -0.202 1.00 0.00 N ATOM 1082 CA ASN A 74 9.548 4.816 -0.363 1.00 0.00 C ATOM 1083 C ASN A 74 10.268 4.876 0.981 1.00 0.00 C ATOM 1084 O ASN A 74 11.115 5.740 1.206 1.00 0.00 O ATOM 1085 CB ASN A 74 9.536 6.203 -1.009 1.00 0.00 C ATOM 1086 CG ASN A 74 8.724 6.236 -2.290 1.00 0.00 C ATOM 1087 OD1 ASN A 74 8.113 5.240 -2.676 1.00 0.00 O ATOM 1088 ND2 ASN A 74 8.715 7.386 -2.954 1.00 0.00 N ATOM 0 H ASN A 74 8.018 3.406 -0.620 1.00 0.00 H new ATOM 0 HA ASN A 74 10.084 4.124 -1.012 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.127 6.926 -0.304 1.00 0.00 H new ATOM 0 HB3 ASN A 74 10.560 6.510 -1.223 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.186 7.469 -3.822 1.00 0.00 H new ATOM 0 HD22 ASN A 74 9.237 8.186 -2.596 1.00 0.00 H new ATOM 1095 N GLY A 75 9.923 3.951 1.873 1.00 0.00 N ATOM 1096 CA GLY A 75 10.546 3.916 3.183 1.00 0.00 C ATOM 1097 C GLY A 75 9.829 4.795 4.189 1.00 0.00 C ATOM 1098 O GLY A 75 10.124 4.750 5.383 1.00 0.00 O ATOM 0 H GLY A 75 9.224 3.226 1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.561 2.889 3.548 1.00 0.00 H new ATOM 0 HA3 GLY A 75 11.584 4.239 3.097 1.00 0.00 H new ATOM 1102 N GLU A 76 8.887 5.599 3.705 1.00 0.00 N ATOM 1103 CA GLU A 76 8.129 6.494 4.571 1.00 0.00 C ATOM 1104 C GLU A 76 6.645 6.141 4.553 1.00 0.00 C ATOM 1105 O GLU A 76 6.027 6.056 3.491 1.00 0.00 O ATOM 1106 CB GLU A 76 8.324 7.948 4.135 1.00 0.00 C ATOM 1107 CG GLU A 76 9.690 8.512 4.490 1.00 0.00 C ATOM 1108 CD GLU A 76 10.750 8.163 3.464 1.00 0.00 C ATOM 1109 OE1 GLU A 76 10.477 8.316 2.255 1.00 0.00 O ATOM 1110 OE2 GLU A 76 11.851 7.737 3.869 1.00 0.00 O ATOM 0 H GLU A 76 8.631 5.649 2.719 1.00 0.00 H new ATOM 0 HA GLU A 76 8.501 6.374 5.589 1.00 0.00 H new ATOM 0 HB2 GLU A 76 8.181 8.017 3.057 1.00 0.00 H new ATOM 0 HB3 GLU A 76 7.554 8.564 4.599 1.00 0.00 H new ATOM 0 HG2 GLU A 76 9.619 9.596 4.579 1.00 0.00 H new ATOM 0 HG3 GLU A 76 9.994 8.131 5.465 1.00 0.00 H new ATOM 1117 N THR A 77 6.077 5.936 5.738 1.00 0.00 N ATOM 1118 CA THR A 77 4.666 5.590 5.859 1.00 0.00 C ATOM 1119 C THR A 77 3.782 6.657 5.223 1.00 0.00 C ATOM 1120 O THR A 77 4.091 7.847 5.278 1.00 0.00 O ATOM 1121 CB THR A 77 4.257 5.412 7.333 1.00 0.00 C ATOM 1122 OG1 THR A 77 4.584 6.590 8.079 1.00 0.00 O ATOM 1123 CG2 THR A 77 4.954 4.207 7.947 1.00 0.00 C ATOM 0 H THR A 77 6.573 6.004 6.627 1.00 0.00 H new ATOM 0 HA THR A 77 4.525 4.645 5.334 1.00 0.00 H new ATOM 0 HB THR A 77 3.180 5.247 7.370 1.00 0.00 H new ATOM 0 HG1 THR A 77 4.319 6.469 9.015 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.649 4.102 8.988 1.00 0.00 H new ATOM 0 HG22 THR A 77 4.679 3.308 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 77 6.034 4.347 7.897 1.00 0.00 H new ATOM 1131 N LEU A 78 2.680 6.223 4.621 1.00 0.00 N ATOM 1132 CA LEU A 78 1.750 7.142 3.975 1.00 0.00 C ATOM 1133 C LEU A 78 1.420 8.316 4.890 1.00 0.00 C ATOM 1134 O LEU A 78 1.403 9.468 4.458 1.00 0.00 O ATOM 1135 CB LEU A 78 0.465 6.408 3.584 1.00 0.00 C ATOM 1136 CG LEU A 78 0.664 5.194 2.676 1.00 0.00 C ATOM 1137 CD1 LEU A 78 -0.649 4.452 2.480 1.00 0.00 C ATOM 1138 CD2 LEU A 78 1.242 5.620 1.335 1.00 0.00 C ATOM 0 H LEU A 78 2.409 5.241 4.567 1.00 0.00 H new ATOM 0 HA LEU A 78 2.228 7.530 3.075 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.041 6.083 4.493 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -0.200 7.112 3.083 1.00 0.00 H new ATOM 0 HG LEU A 78 1.371 4.518 3.156 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -0.487 3.591 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -1.023 4.113 3.446 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -1.379 5.119 2.022 1.00 0.00 H new ATOM 0 HD21 LEU A 78 1.377 4.743 0.702 1.00 0.00 H new ATOM 0 HD22 LEU A 78 0.559 6.317 0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 78 2.205 6.106 1.492 1.00 0.00 H new ATOM 1150 N ARG A 79 1.159 8.015 6.158 1.00 0.00 N ATOM 1151 CA ARG A 79 0.828 9.045 7.136 1.00 0.00 C ATOM 1152 C ARG A 79 1.907 10.123 7.176 1.00 0.00 C ATOM 1153 O ARG A 79 1.606 11.314 7.258 1.00 0.00 O ATOM 1154 CB ARG A 79 0.659 8.425 8.524 1.00 0.00 C ATOM 1155 CG ARG A 79 0.621 9.448 9.647 1.00 0.00 C ATOM 1156 CD ARG A 79 2.011 9.720 10.201 1.00 0.00 C ATOM 1157 NE ARG A 79 2.507 8.606 11.005 1.00 0.00 N ATOM 1158 CZ ARG A 79 2.111 8.364 12.249 1.00 0.00 C ATOM 1159 NH1 ARG A 79 1.217 9.153 12.829 1.00 0.00 N ATOM 1160 NH2 ARG A 79 2.608 7.330 12.916 1.00 0.00 N ATOM 0 H ARG A 79 1.170 7.066 6.532 1.00 0.00 H new ATOM 0 HA ARG A 79 -0.112 9.507 6.836 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -0.262 7.843 8.543 1.00 0.00 H new ATOM 0 HB3 ARG A 79 1.479 7.730 8.705 1.00 0.00 H new ATOM 0 HG2 ARG A 79 0.187 10.378 9.279 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -0.026 9.088 10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 79 2.699 9.907 9.377 1.00 0.00 H new ATOM 0 HD3 ARG A 79 1.988 10.624 10.809 1.00 0.00 H new ATOM 0 HE ARG A 79 3.195 7.980 10.588 1.00 0.00 H new ATOM 0 HH11 ARG A 79 0.832 9.948 12.319 1.00 0.00 H new ATOM 0 HH12 ARG A 79 0.915 8.965 13.785 1.00 0.00 H new ATOM 0 HH21 ARG A 79 3.295 6.720 12.473 1.00 0.00 H new ATOM 0 HH22 ARG A 79 2.303 7.145 13.872 1.00 0.00 H new ATOM 1174 N HIS A 80 3.165 9.697 7.117 1.00 0.00 N ATOM 1175 CA HIS A 80 4.289 10.625 7.146 1.00 0.00 C ATOM 1176 C HIS A 80 4.287 11.520 5.910 1.00 0.00 C ATOM 1177 O HIS A 80 4.408 12.740 6.015 1.00 0.00 O ATOM 1178 CB HIS A 80 5.609 9.859 7.233 1.00 0.00 C ATOM 1179 CG HIS A 80 6.761 10.700 7.690 1.00 0.00 C ATOM 1180 ND1 HIS A 80 7.201 10.728 8.997 1.00 0.00 N ATOM 1181 CD2 HIS A 80 7.566 11.545 7.006 1.00 0.00 C ATOM 1182 CE1 HIS A 80 8.225 11.555 9.097 1.00 0.00 C ATOM 1183 NE2 HIS A 80 8.468 12.064 7.902 1.00 0.00 N ATOM 0 H HIS A 80 3.431 8.715 7.049 1.00 0.00 H new ATOM 0 HA HIS A 80 4.185 11.255 8.029 1.00 0.00 H new ATOM 0 HB2 HIS A 80 5.488 9.020 7.918 1.00 0.00 H new ATOM 0 HB3 HIS A 80 5.842 9.440 6.254 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.510 11.770 5.951 1.00 0.00 H new ATOM 0 HE1 HIS A 80 8.771 11.778 10.002 1.00 0.00 H new ATOM 0 HE2 HIS A 80 9.205 12.733 7.681 1.00 0.00 H new ATOM 1192 N LEU A 81 4.149 10.905 4.741 1.00 0.00 N ATOM 1193 CA LEU A 81 4.132 11.646 3.484 1.00 0.00 C ATOM 1194 C LEU A 81 2.997 12.664 3.468 1.00 0.00 C ATOM 1195 O LEU A 81 3.178 13.803 3.040 1.00 0.00 O ATOM 1196 CB LEU A 81 3.987 10.683 2.303 1.00 0.00 C ATOM 1197 CG LEU A 81 5.026 9.563 2.251 1.00 0.00 C ATOM 1198 CD1 LEU A 81 4.670 8.555 1.169 1.00 0.00 C ATOM 1199 CD2 LEU A 81 6.415 10.135 2.011 1.00 0.00 C ATOM 0 H LEU A 81 4.047 9.895 4.637 1.00 0.00 H new ATOM 0 HA LEU A 81 5.077 12.182 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.994 10.235 2.339 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.046 11.256 1.377 1.00 0.00 H new ATOM 0 HG LEU A 81 5.027 9.050 3.212 1.00 0.00 H new ATOM 0 HD11 LEU A 81 5.421 7.765 1.147 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.693 8.121 1.383 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.641 9.055 0.201 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.142 9.323 1.977 1.00 0.00 H new ATOM 0 HD22 LEU A 81 6.428 10.674 1.063 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.672 10.818 2.820 1.00 0.00 H new ATOM 1211 N GLU A 82 1.827 12.244 3.938 1.00 0.00 N ATOM 1212 CA GLU A 82 0.661 13.120 3.977 1.00 0.00 C ATOM 1213 C GLU A 82 0.969 14.402 4.745 1.00 0.00 C ATOM 1214 O GLU A 82 0.624 15.498 4.306 1.00 0.00 O ATOM 1215 CB GLU A 82 -0.525 12.399 4.620 1.00 0.00 C ATOM 1216 CG GLU A 82 -1.778 13.254 4.716 1.00 0.00 C ATOM 1217 CD GLU A 82 -1.844 14.047 6.006 1.00 0.00 C ATOM 1218 OE1 GLU A 82 -2.159 13.448 7.055 1.00 0.00 O ATOM 1219 OE2 GLU A 82 -1.582 15.268 5.967 1.00 0.00 O ATOM 0 H GLU A 82 1.661 11.304 4.297 1.00 0.00 H new ATOM 0 HA GLU A 82 0.403 13.385 2.952 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -0.751 11.502 4.043 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -0.241 12.071 5.620 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -1.811 13.940 3.870 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -2.657 12.614 4.642 1.00 0.00 H new ATOM 1226 N GLN A 83 1.620 14.253 5.895 1.00 0.00 N ATOM 1227 CA GLN A 83 1.973 15.399 6.725 1.00 0.00 C ATOM 1228 C GLN A 83 2.804 16.407 5.937 1.00 0.00 C ATOM 1229 O GLN A 83 2.648 17.617 6.100 1.00 0.00 O ATOM 1230 CB GLN A 83 2.746 14.939 7.963 1.00 0.00 C ATOM 1231 CG GLN A 83 1.863 14.329 9.039 1.00 0.00 C ATOM 1232 CD GLN A 83 2.533 14.305 10.399 1.00 0.00 C ATOM 1233 OE1 GLN A 83 3.251 15.235 10.766 1.00 0.00 O ATOM 1234 NE2 GLN A 83 2.301 13.239 11.155 1.00 0.00 N ATOM 0 H GLN A 83 1.913 13.352 6.272 1.00 0.00 H new ATOM 0 HA GLN A 83 1.050 15.885 7.041 1.00 0.00 H new ATOM 0 HB2 GLN A 83 3.496 14.207 7.662 1.00 0.00 H new ATOM 0 HB3 GLN A 83 3.282 15.790 8.384 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.934 14.895 9.106 1.00 0.00 H new ATOM 0 HG3 GLN A 83 1.596 13.312 8.751 1.00 0.00 H new ATOM 0 HE21 GLN A 83 1.699 12.491 10.811 1.00 0.00 H new ATOM 0 HE22 GLN A 83 2.725 13.168 12.080 1.00 0.00 H new ATOM 1243 N LYS A 84 3.686 15.900 5.084 1.00 0.00 N ATOM 1244 CA LYS A 84 4.542 16.755 4.269 1.00 0.00 C ATOM 1245 C LYS A 84 3.789 17.273 3.048 1.00 0.00 C ATOM 1246 O LYS A 84 4.387 17.833 2.130 1.00 0.00 O ATOM 1247 CB LYS A 84 5.790 15.988 3.825 1.00 0.00 C ATOM 1248 CG LYS A 84 6.761 15.700 4.957 1.00 0.00 C ATOM 1249 CD LYS A 84 7.613 14.477 4.663 1.00 0.00 C ATOM 1250 CE LYS A 84 8.732 14.799 3.685 1.00 0.00 C ATOM 1251 NZ LYS A 84 9.808 15.609 4.320 1.00 0.00 N ATOM 0 H LYS A 84 3.828 14.900 4.938 1.00 0.00 H new ATOM 0 HA LYS A 84 4.845 17.608 4.876 1.00 0.00 H new ATOM 0 HB2 LYS A 84 5.485 15.045 3.371 1.00 0.00 H new ATOM 0 HB3 LYS A 84 6.304 16.562 3.054 1.00 0.00 H new ATOM 0 HG2 LYS A 84 7.406 16.565 5.113 1.00 0.00 H new ATOM 0 HG3 LYS A 84 6.207 15.544 5.882 1.00 0.00 H new ATOM 0 HD2 LYS A 84 8.038 14.097 5.592 1.00 0.00 H new ATOM 0 HD3 LYS A 84 6.986 13.686 4.252 1.00 0.00 H new ATOM 0 HE2 LYS A 84 9.155 13.872 3.299 1.00 0.00 H new ATOM 0 HE3 LYS A 84 8.324 15.342 2.832 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 10.650 15.608 3.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 9.476 16.586 4.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 10.051 15.200 5.245 1.00 0.00 H new ATOM 1265 N GLY A 85 2.473 17.083 3.045 1.00 0.00 N ATOM 1266 CA GLY A 85 1.661 17.538 1.932 1.00 0.00 C ATOM 1267 C GLY A 85 2.026 16.853 0.629 1.00 0.00 C ATOM 1268 O GLY A 85 1.934 17.452 -0.442 1.00 0.00 O ATOM 0 H GLY A 85 1.955 16.622 3.793 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.610 17.353 2.154 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.778 18.616 1.818 1.00 0.00 H new ATOM 1272 N LEU A 86 2.442 15.595 0.721 1.00 0.00 N ATOM 1273 CA LEU A 86 2.825 14.828 -0.459 1.00 0.00 C ATOM 1274 C LEU A 86 1.717 13.859 -0.861 1.00 0.00 C ATOM 1275 O LEU A 86 1.482 13.626 -2.046 1.00 0.00 O ATOM 1276 CB LEU A 86 4.121 14.058 -0.195 1.00 0.00 C ATOM 1277 CG LEU A 86 5.251 14.885 0.418 1.00 0.00 C ATOM 1278 CD1 LEU A 86 6.377 13.982 0.894 1.00 0.00 C ATOM 1279 CD2 LEU A 86 5.771 15.904 -0.586 1.00 0.00 C ATOM 0 H LEU A 86 2.523 15.084 1.600 1.00 0.00 H new ATOM 0 HA LEU A 86 2.987 15.527 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 86 3.901 13.223 0.470 1.00 0.00 H new ATOM 0 HB3 LEU A 86 4.471 13.633 -1.136 1.00 0.00 H new ATOM 0 HG LEU A 86 4.855 15.422 1.280 1.00 0.00 H new ATOM 0 HD11 LEU A 86 7.172 14.589 1.327 1.00 0.00 H new ATOM 0 HD12 LEU A 86 5.996 13.292 1.647 1.00 0.00 H new ATOM 0 HD13 LEU A 86 6.771 13.417 0.050 1.00 0.00 H new ATOM 0 HD21 LEU A 86 6.575 16.484 -0.133 1.00 0.00 H new ATOM 0 HD22 LEU A 86 6.149 15.386 -1.467 1.00 0.00 H new ATOM 0 HD23 LEU A 86 4.961 16.573 -0.878 1.00 0.00 H new ATOM 1291 N LEU A 87 1.041 13.298 0.135 1.00 0.00 N ATOM 1292 CA LEU A 87 -0.043 12.353 -0.113 1.00 0.00 C ATOM 1293 C LEU A 87 -1.392 12.967 0.244 1.00 0.00 C ATOM 1294 O LEU A 87 -1.608 13.406 1.374 1.00 0.00 O ATOM 1295 CB LEU A 87 0.177 11.070 0.692 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.808 9.941 0.391 1.00 0.00 C ATOM 1297 CD1 LEU A 87 -0.376 9.169 -0.846 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -0.931 9.008 1.587 1.00 0.00 C ATOM 0 H LEU A 87 1.224 13.481 1.122 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.045 12.111 -1.176 1.00 0.00 H new ATOM 0 HB2 LEU A 87 1.188 10.709 0.503 1.00 0.00 H new ATOM 0 HB3 LEU A 87 0.117 11.310 1.753 1.00 0.00 H new ATOM 0 HG LEU A 87 -1.786 10.381 0.196 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -1.090 8.370 -1.044 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.340 9.843 -1.702 1.00 0.00 H new ATOM 0 HD13 LEU A 87 0.612 8.740 -0.680 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.636 8.210 1.355 1.00 0.00 H new ATOM 0 HD22 LEU A 87 0.044 8.576 1.813 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -1.289 9.569 2.451 1.00 0.00 H new ATOM 1310 N PHE A 88 -2.299 12.995 -0.727 1.00 0.00 N ATOM 1311 CA PHE A 88 -3.628 13.556 -0.516 1.00 0.00 C ATOM 1312 C PHE A 88 -4.373 12.795 0.577 1.00 0.00 C ATOM 1313 O PHE A 88 -5.130 13.381 1.351 1.00 0.00 O ATOM 1314 CB PHE A 88 -4.433 13.520 -1.817 1.00 0.00 C ATOM 1315 CG PHE A 88 -5.118 12.206 -2.062 1.00 0.00 C ATOM 1316 CD1 PHE A 88 -4.393 11.026 -2.090 1.00 0.00 C ATOM 1317 CD2 PHE A 88 -6.488 12.152 -2.265 1.00 0.00 C ATOM 1318 CE1 PHE A 88 -5.021 9.815 -2.314 1.00 0.00 C ATOM 1319 CE2 PHE A 88 -7.121 10.944 -2.489 1.00 0.00 C ATOM 1320 CZ PHE A 88 -6.387 9.774 -2.515 1.00 0.00 C ATOM 0 H PHE A 88 -2.138 12.636 -1.668 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.511 14.592 -0.198 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -5.182 14.312 -1.794 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.767 13.735 -2.653 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -3.325 11.052 -1.935 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -7.067 13.064 -2.248 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -4.444 8.902 -2.332 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -8.189 10.915 -2.644 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.880 8.830 -2.692 1.00 0.00 H new ATOM 1330 N SER A 89 -4.153 11.485 0.632 1.00 0.00 N ATOM 1331 CA SER A 89 -4.806 10.642 1.626 1.00 0.00 C ATOM 1332 C SER A 89 -6.317 10.854 1.611 1.00 0.00 C ATOM 1333 O SER A 89 -6.950 10.968 2.660 1.00 0.00 O ATOM 1334 CB SER A 89 -4.252 10.939 3.021 1.00 0.00 C ATOM 1335 OG SER A 89 -2.848 10.756 3.062 1.00 0.00 O ATOM 0 H SER A 89 -3.528 10.985 -0.000 1.00 0.00 H new ATOM 0 HA SER A 89 -4.600 9.601 1.375 1.00 0.00 H new ATOM 0 HB2 SER A 89 -4.497 11.963 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.728 10.285 3.752 1.00 0.00 H new ATOM 0 HG SER A 89 -2.408 11.491 2.587 1.00 0.00 H new