USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 648 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 Single : A 8 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00852) USER MOD Single : A 10 LYS NZ :NH3+ -179:sc= 0.0211 (180deg=0.0203) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 175:sc= 0.0441 (180deg=0.041) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.0395 USER MOD Single : A 38 SER OG : rot 39:sc= 0.467 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.0865 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc=-0.000237 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 ASN : amide:sc= 0.179 K(o=0.18,f=-3.7!) USER MOD Single : A 67 LYS NZ :NH3+ -168:sc= 0.642 (180deg=0.369) USER MOD Single : A 72 THR OG1 : rot -150:sc= -1.51 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.454 K(o=-0.45,f=-1.3) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.033 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN : amide:sc= -6.04! C(o=-6!,f=-6.6!) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.216 K(o=-0.22,f=-2.3) USER MOD Single : A 99 LYS NZ :NH3+ 163:sc= -0.0317 (180deg=-0.26) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N LYS A 8 4.030 3.542 11.653 1.00 0.00 N ATOM 67 CA LYS A 8 3.267 4.098 10.542 1.00 0.00 C ATOM 68 C LYS A 8 3.971 3.835 9.214 1.00 0.00 C ATOM 69 O LYS A 8 3.446 4.156 8.147 1.00 0.00 O ATOM 70 CB LYS A 8 3.067 5.603 10.736 1.00 0.00 C ATOM 71 CG LYS A 8 4.158 6.448 10.100 1.00 0.00 C ATOM 72 CD LYS A 8 4.358 7.755 10.850 1.00 0.00 C ATOM 73 CE LYS A 8 5.760 8.307 10.642 1.00 0.00 C ATOM 74 NZ LYS A 8 6.014 8.653 9.216 1.00 0.00 N ATOM 0 HA LYS A 8 2.293 3.608 10.521 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.104 5.891 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 8 3.026 5.821 11.803 1.00 0.00 H new ATOM 0 HG2 LYS A 8 5.093 5.888 10.087 1.00 0.00 H new ATOM 0 HG3 LYS A 8 3.898 6.659 9.062 1.00 0.00 H new ATOM 0 HD2 LYS A 8 3.624 8.486 10.512 1.00 0.00 H new ATOM 0 HD3 LYS A 8 4.182 7.596 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 8 5.897 9.194 11.261 1.00 0.00 H new ATOM 0 HE3 LYS A 8 6.493 7.571 10.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 6.954 9.088 9.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 5.976 7.790 8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 5.290 9.323 8.887 1.00 0.00 H new ATOM 88 N VAL A 9 5.161 3.248 9.286 1.00 0.00 N ATOM 89 CA VAL A 9 5.935 2.939 8.089 1.00 0.00 C ATOM 90 C VAL A 9 6.591 1.567 8.198 1.00 0.00 C ATOM 91 O VAL A 9 6.578 0.942 9.258 1.00 0.00 O ATOM 92 CB VAL A 9 7.024 3.998 7.836 1.00 0.00 C ATOM 93 CG1 VAL A 9 6.396 5.327 7.445 1.00 0.00 C ATOM 94 CG2 VAL A 9 7.906 4.158 9.065 1.00 0.00 C ATOM 0 H VAL A 9 5.610 2.977 10.160 1.00 0.00 H new ATOM 0 HA VAL A 9 5.237 2.939 7.252 1.00 0.00 H new ATOM 0 HB VAL A 9 7.649 3.661 7.009 1.00 0.00 H new ATOM 0 HG11 VAL A 9 7.181 6.063 7.270 1.00 0.00 H new ATOM 0 HG12 VAL A 9 5.810 5.199 6.535 1.00 0.00 H new ATOM 0 HG13 VAL A 9 5.747 5.673 8.249 1.00 0.00 H new ATOM 0 HG21 VAL A 9 8.670 4.910 8.869 1.00 0.00 H new ATOM 0 HG22 VAL A 9 7.296 4.472 9.912 1.00 0.00 H new ATOM 0 HG23 VAL A 9 8.384 3.206 9.296 1.00 0.00 H new ATOM 104 N LYS A 10 7.166 1.103 7.093 1.00 0.00 N ATOM 105 CA LYS A 10 7.830 -0.194 7.063 1.00 0.00 C ATOM 106 C LYS A 10 8.714 -0.324 5.827 1.00 0.00 C ATOM 107 O LYS A 10 8.349 0.124 4.740 1.00 0.00 O ATOM 108 CB LYS A 10 6.794 -1.321 7.082 1.00 0.00 C ATOM 109 CG LYS A 10 7.323 -2.624 7.655 1.00 0.00 C ATOM 110 CD LYS A 10 6.196 -3.513 8.153 1.00 0.00 C ATOM 111 CE LYS A 10 6.712 -4.876 8.588 1.00 0.00 C ATOM 112 NZ LYS A 10 7.289 -4.838 9.961 1.00 0.00 N ATOM 0 H LYS A 10 7.185 1.607 6.206 1.00 0.00 H new ATOM 0 HA LYS A 10 8.460 -0.272 7.949 1.00 0.00 H new ATOM 0 HB2 LYS A 10 5.932 -1.000 7.666 1.00 0.00 H new ATOM 0 HB3 LYS A 10 6.442 -1.497 6.065 1.00 0.00 H new ATOM 0 HG2 LYS A 10 7.894 -3.153 6.892 1.00 0.00 H new ATOM 0 HG3 LYS A 10 8.008 -2.410 8.475 1.00 0.00 H new ATOM 0 HD2 LYS A 10 5.692 -3.029 8.990 1.00 0.00 H new ATOM 0 HD3 LYS A 10 5.454 -3.638 7.364 1.00 0.00 H new ATOM 0 HE2 LYS A 10 5.898 -5.600 8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 10 7.471 -5.219 7.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 7.645 -5.782 10.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 8.072 -4.154 9.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 6.554 -4.552 10.639 1.00 0.00 H new ATOM 126 N SER A 11 9.879 -0.940 6.000 1.00 0.00 N ATOM 127 CA SER A 11 10.817 -1.127 4.899 1.00 0.00 C ATOM 128 C SER A 11 11.682 -2.363 5.126 1.00 0.00 C ATOM 129 O SER A 11 12.227 -2.562 6.211 1.00 0.00 O ATOM 130 CB SER A 11 11.705 0.109 4.743 1.00 0.00 C ATOM 131 OG SER A 11 12.654 0.191 5.791 1.00 0.00 O ATOM 0 H SER A 11 10.196 -1.318 6.893 1.00 0.00 H new ATOM 0 HA SER A 11 10.242 -1.271 3.984 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.221 0.071 3.783 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.087 1.007 4.737 1.00 0.00 H new ATOM 0 HG SER A 11 13.210 0.988 5.667 1.00 0.00 H new ATOM 137 N GLY A 12 11.803 -3.191 4.093 1.00 0.00 N ATOM 138 CA GLY A 12 12.603 -4.397 4.198 1.00 0.00 C ATOM 139 C GLY A 12 12.884 -5.026 2.848 1.00 0.00 C ATOM 140 O GLY A 12 13.253 -4.335 1.899 1.00 0.00 O ATOM 0 H GLY A 12 11.361 -3.048 3.185 1.00 0.00 H new ATOM 0 HA2 GLY A 12 13.547 -4.161 4.689 1.00 0.00 H new ATOM 0 HA3 GLY A 12 12.086 -5.118 4.831 1.00 0.00 H new ATOM 144 N TRP A 13 12.711 -6.340 2.763 1.00 0.00 N ATOM 145 CA TRP A 13 12.950 -7.063 1.518 1.00 0.00 C ATOM 146 C TRP A 13 11.699 -7.813 1.076 1.00 0.00 C ATOM 147 O TRP A 13 11.404 -8.899 1.578 1.00 0.00 O ATOM 148 CB TRP A 13 14.114 -8.042 1.689 1.00 0.00 C ATOM 149 CG TRP A 13 15.451 -7.369 1.754 1.00 0.00 C ATOM 150 CD1 TRP A 13 16.171 -7.084 2.879 1.00 0.00 C ATOM 151 CD2 TRP A 13 16.227 -6.894 0.648 1.00 0.00 C ATOM 152 NE1 TRP A 13 17.348 -6.462 2.539 1.00 0.00 N ATOM 153 CE2 TRP A 13 17.406 -6.334 1.176 1.00 0.00 C ATOM 154 CE3 TRP A 13 16.041 -6.890 -0.737 1.00 0.00 C ATOM 155 CZ2 TRP A 13 18.392 -5.776 0.367 1.00 0.00 C ATOM 156 CZ3 TRP A 13 17.020 -6.335 -1.539 1.00 0.00 C ATOM 157 CH2 TRP A 13 18.184 -5.785 -0.986 1.00 0.00 C ATOM 0 H TRP A 13 12.406 -6.926 3.540 1.00 0.00 H new ATOM 0 HA TRP A 13 13.206 -6.336 0.747 1.00 0.00 H new ATOM 0 HB2 TRP A 13 13.962 -8.621 2.600 1.00 0.00 H new ATOM 0 HB3 TRP A 13 14.111 -8.748 0.859 1.00 0.00 H new ATOM 0 HD1 TRP A 13 15.861 -7.314 3.888 1.00 0.00 H new ATOM 0 HE1 TRP A 13 18.063 -6.147 3.195 1.00 0.00 H new ATOM 0 HE3 TRP A 13 15.148 -7.313 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 19.289 -5.351 0.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 16.886 -6.325 -2.611 1.00 0.00 H new ATOM 0 HH2 TRP A 13 18.931 -5.360 -1.640 1.00 0.00 H new ATOM 168 N LEU A 14 10.967 -7.230 0.133 1.00 0.00 N ATOM 169 CA LEU A 14 9.747 -7.845 -0.378 1.00 0.00 C ATOM 170 C LEU A 14 9.983 -8.463 -1.753 1.00 0.00 C ATOM 171 O LEU A 14 10.414 -7.783 -2.684 1.00 0.00 O ATOM 172 CB LEU A 14 8.625 -6.808 -0.459 1.00 0.00 C ATOM 173 CG LEU A 14 8.001 -6.390 0.873 1.00 0.00 C ATOM 174 CD1 LEU A 14 6.940 -5.323 0.654 1.00 0.00 C ATOM 175 CD2 LEU A 14 7.408 -7.597 1.586 1.00 0.00 C ATOM 0 H LEU A 14 11.197 -6.332 -0.293 1.00 0.00 H new ATOM 0 HA LEU A 14 9.453 -8.637 0.311 1.00 0.00 H new ATOM 0 HB2 LEU A 14 9.016 -5.917 -0.950 1.00 0.00 H new ATOM 0 HB3 LEU A 14 7.836 -7.204 -1.098 1.00 0.00 H new ATOM 0 HG LEU A 14 8.784 -5.969 1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 14 6.507 -5.038 1.613 1.00 0.00 H new ATOM 0 HD12 LEU A 14 7.394 -4.449 0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.157 -5.716 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 14 6.968 -7.281 2.532 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.637 -8.047 0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 14 8.193 -8.329 1.777 1.00 0.00 H new ATOM 187 N ASP A 15 9.696 -9.754 -1.872 1.00 0.00 N ATOM 188 CA ASP A 15 9.873 -10.464 -3.134 1.00 0.00 C ATOM 189 C ASP A 15 8.587 -10.445 -3.953 1.00 0.00 C ATOM 190 O ASP A 15 7.557 -10.965 -3.524 1.00 0.00 O ATOM 191 CB ASP A 15 10.307 -11.907 -2.875 1.00 0.00 C ATOM 192 CG ASP A 15 11.807 -12.037 -2.696 1.00 0.00 C ATOM 193 OD1 ASP A 15 12.518 -12.158 -3.716 1.00 0.00 O ATOM 194 OD2 ASP A 15 12.270 -12.020 -1.536 1.00 0.00 O ATOM 0 H ASP A 15 9.340 -10.331 -1.110 1.00 0.00 H new ATOM 0 HA ASP A 15 10.652 -9.956 -3.703 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.804 -12.280 -1.983 1.00 0.00 H new ATOM 0 HB3 ASP A 15 9.988 -12.534 -3.707 1.00 0.00 H new ATOM 199 N LYS A 16 8.653 -9.843 -5.136 1.00 0.00 N ATOM 200 CA LYS A 16 7.494 -9.756 -6.017 1.00 0.00 C ATOM 201 C LYS A 16 7.797 -10.378 -7.376 1.00 0.00 C ATOM 202 O LYS A 16 8.949 -10.423 -7.807 1.00 0.00 O ATOM 203 CB LYS A 16 7.072 -8.296 -6.195 1.00 0.00 C ATOM 204 CG LYS A 16 5.983 -8.101 -7.236 1.00 0.00 C ATOM 205 CD LYS A 16 5.362 -6.717 -7.141 1.00 0.00 C ATOM 206 CE LYS A 16 6.253 -5.662 -7.778 1.00 0.00 C ATOM 207 NZ LYS A 16 5.678 -4.295 -7.642 1.00 0.00 N ATOM 0 H LYS A 16 9.498 -9.408 -5.507 1.00 0.00 H new ATOM 0 HA LYS A 16 6.676 -10.311 -5.557 1.00 0.00 H new ATOM 0 HB2 LYS A 16 6.722 -7.908 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.944 -7.706 -6.478 1.00 0.00 H new ATOM 0 HG2 LYS A 16 6.401 -8.246 -8.232 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.210 -8.858 -7.101 1.00 0.00 H new ATOM 0 HD2 LYS A 16 4.389 -6.719 -7.633 1.00 0.00 H new ATOM 0 HD3 LYS A 16 5.189 -6.465 -6.095 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.238 -5.690 -7.313 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.393 -5.894 -8.834 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.353 -3.596 -8.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.789 -4.237 -8.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 5.489 -4.096 -6.639 1.00 0.00 H new ATOM 221 N LEU A 17 6.755 -10.857 -8.047 1.00 0.00 N ATOM 222 CA LEU A 17 6.909 -11.475 -9.359 1.00 0.00 C ATOM 223 C LEU A 17 7.124 -10.419 -10.438 1.00 0.00 C ATOM 224 O LEU A 17 6.367 -9.453 -10.534 1.00 0.00 O ATOM 225 CB LEU A 17 5.678 -12.320 -9.694 1.00 0.00 C ATOM 226 CG LEU A 17 5.748 -13.795 -9.299 1.00 0.00 C ATOM 227 CD1 LEU A 17 4.365 -14.320 -8.947 1.00 0.00 C ATOM 228 CD2 LEU A 17 6.363 -14.619 -10.421 1.00 0.00 C ATOM 0 H LEU A 17 5.795 -10.829 -7.704 1.00 0.00 H new ATOM 0 HA LEU A 17 7.788 -12.119 -9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 17 4.812 -11.874 -9.204 1.00 0.00 H new ATOM 0 HB3 LEU A 17 5.503 -12.260 -10.768 1.00 0.00 H new ATOM 0 HG LEU A 17 6.383 -13.885 -8.418 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.435 -15.371 -8.668 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.961 -13.749 -8.111 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.706 -14.216 -9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 17 6.405 -15.666 -10.122 1.00 0.00 H new ATOM 0 HD22 LEU A 17 5.754 -14.522 -11.320 1.00 0.00 H new ATOM 0 HD23 LEU A 17 7.371 -14.259 -10.626 1.00 0.00 H new ATOM 372 N GLN A 26 10.908 -12.183 -8.210 1.00 0.00 N ATOM 373 CA GLN A 26 12.041 -11.265 -8.245 1.00 0.00 C ATOM 374 C GLN A 26 12.220 -10.570 -6.900 1.00 0.00 C ATOM 375 O GLN A 26 11.249 -10.308 -6.190 1.00 0.00 O ATOM 376 CB GLN A 26 11.846 -10.224 -9.349 1.00 0.00 C ATOM 377 CG GLN A 26 13.042 -9.304 -9.534 1.00 0.00 C ATOM 378 CD GLN A 26 14.080 -9.879 -10.478 1.00 0.00 C ATOM 379 OE1 GLN A 26 14.477 -11.037 -10.351 1.00 0.00 O ATOM 380 NE2 GLN A 26 14.525 -9.070 -11.433 1.00 0.00 N ATOM 0 HA GLN A 26 12.940 -11.844 -8.456 1.00 0.00 H new ATOM 0 HB2 GLN A 26 11.644 -10.737 -10.289 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.967 -9.622 -9.119 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.700 -8.343 -9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 26 13.503 -9.114 -8.565 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.168 -8.117 -11.501 1.00 0.00 H new ATOM 0 HE22 GLN A 26 15.224 -9.402 -12.098 1.00 0.00 H new ATOM 389 N LYS A 27 13.468 -10.274 -6.554 1.00 0.00 N ATOM 390 CA LYS A 27 13.776 -9.608 -5.294 1.00 0.00 C ATOM 391 C LYS A 27 13.997 -8.114 -5.508 1.00 0.00 C ATOM 392 O LYS A 27 14.795 -7.710 -6.353 1.00 0.00 O ATOM 393 CB LYS A 27 15.019 -10.232 -4.655 1.00 0.00 C ATOM 394 CG LYS A 27 15.122 -9.987 -3.159 1.00 0.00 C ATOM 395 CD LYS A 27 16.314 -10.711 -2.556 1.00 0.00 C ATOM 396 CE LYS A 27 16.136 -10.928 -1.061 1.00 0.00 C ATOM 397 NZ LYS A 27 17.441 -11.130 -0.371 1.00 0.00 N ATOM 0 H LYS A 27 14.283 -10.485 -7.129 1.00 0.00 H new ATOM 0 HA LYS A 27 12.926 -9.739 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.011 -11.306 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 27 15.908 -9.831 -5.142 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.211 -8.917 -2.970 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.207 -10.322 -2.671 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.445 -11.673 -3.051 1.00 0.00 H new ATOM 0 HD3 LYS A 27 17.221 -10.133 -2.736 1.00 0.00 H new ATOM 0 HE2 LYS A 27 15.625 -10.068 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 27 15.498 -11.796 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 17.277 -11.274 0.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 17.917 -11.965 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.040 -10.291 -0.509 1.00 0.00 H new ATOM 411 N ARG A 28 13.287 -7.299 -4.735 1.00 0.00 N ATOM 412 CA ARG A 28 13.406 -5.850 -4.840 1.00 0.00 C ATOM 413 C ARG A 28 13.117 -5.182 -3.499 1.00 0.00 C ATOM 414 O ARG A 28 12.187 -5.568 -2.790 1.00 0.00 O ATOM 415 CB ARG A 28 12.448 -5.314 -5.906 1.00 0.00 C ATOM 416 CG ARG A 28 13.071 -5.210 -7.288 1.00 0.00 C ATOM 417 CD ARG A 28 12.036 -5.417 -8.383 1.00 0.00 C ATOM 418 NE ARG A 28 12.622 -5.317 -9.717 1.00 0.00 N ATOM 419 CZ ARG A 28 11.928 -4.997 -10.803 1.00 0.00 C ATOM 420 NH1 ARG A 28 10.629 -4.747 -10.713 1.00 0.00 N ATOM 421 NH2 ARG A 28 12.533 -4.926 -11.982 1.00 0.00 N ATOM 0 H ARG A 28 12.623 -7.618 -4.029 1.00 0.00 H new ATOM 0 HA ARG A 28 14.430 -5.615 -5.130 1.00 0.00 H new ATOM 0 HB2 ARG A 28 11.575 -5.965 -5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 28 12.093 -4.329 -5.602 1.00 0.00 H new ATOM 0 HG2 ARG A 28 13.536 -4.231 -7.406 1.00 0.00 H new ATOM 0 HG3 ARG A 28 13.862 -5.953 -7.388 1.00 0.00 H new ATOM 0 HD2 ARG A 28 11.573 -6.396 -8.263 1.00 0.00 H new ATOM 0 HD3 ARG A 28 11.244 -4.675 -8.278 1.00 0.00 H new ATOM 0 HE ARG A 28 13.620 -5.503 -9.820 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.161 -4.800 -9.808 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.098 -4.501 -11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 28 13.532 -5.117 -12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 28 11.999 -4.680 -12.815 1.00 0.00 H new ATOM 435 N TRP A 29 13.919 -4.181 -3.158 1.00 0.00 N ATOM 436 CA TRP A 29 13.750 -3.460 -1.902 1.00 0.00 C ATOM 437 C TRP A 29 12.514 -2.567 -1.948 1.00 0.00 C ATOM 438 O TRP A 29 12.279 -1.868 -2.934 1.00 0.00 O ATOM 439 CB TRP A 29 14.991 -2.618 -1.602 1.00 0.00 C ATOM 440 CG TRP A 29 14.789 -1.639 -0.484 1.00 0.00 C ATOM 441 CD1 TRP A 29 14.048 -0.493 -0.522 1.00 0.00 C ATOM 442 CD2 TRP A 29 15.339 -1.720 0.835 1.00 0.00 C ATOM 443 NE1 TRP A 29 14.103 0.143 0.694 1.00 0.00 N ATOM 444 CE2 TRP A 29 14.888 -0.590 1.545 1.00 0.00 C ATOM 445 CE3 TRP A 29 16.166 -2.639 1.488 1.00 0.00 C ATOM 446 CZ2 TRP A 29 15.238 -0.355 2.871 1.00 0.00 C ATOM 447 CZ3 TRP A 29 16.513 -2.404 2.805 1.00 0.00 C ATOM 448 CH2 TRP A 29 16.049 -1.271 3.485 1.00 0.00 C ATOM 0 H TRP A 29 14.693 -3.850 -3.734 1.00 0.00 H new ATOM 0 HA TRP A 29 13.616 -4.193 -1.107 1.00 0.00 H new ATOM 0 HB2 TRP A 29 15.819 -3.281 -1.350 1.00 0.00 H new ATOM 0 HB3 TRP A 29 15.280 -2.076 -2.502 1.00 0.00 H new ATOM 0 HD1 TRP A 29 13.499 -0.139 -1.382 1.00 0.00 H new ATOM 0 HE1 TRP A 29 13.635 1.019 0.926 1.00 0.00 H new ATOM 0 HE3 TRP A 29 16.527 -3.517 0.973 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 14.883 0.519 3.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 17.153 -3.106 3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 29 16.337 -1.117 4.514 1.00 0.00 H new ATOM 459 N VAL A 30 11.728 -2.596 -0.877 1.00 0.00 N ATOM 460 CA VAL A 30 10.517 -1.788 -0.796 1.00 0.00 C ATOM 461 C VAL A 30 10.528 -0.904 0.447 1.00 0.00 C ATOM 462 O VAL A 30 11.265 -1.161 1.399 1.00 0.00 O ATOM 463 CB VAL A 30 9.255 -2.670 -0.773 1.00 0.00 C ATOM 464 CG1 VAL A 30 8.003 -1.814 -0.886 1.00 0.00 C ATOM 465 CG2 VAL A 30 9.306 -3.702 -1.889 1.00 0.00 C ATOM 0 H VAL A 30 11.908 -3.170 -0.053 1.00 0.00 H new ATOM 0 HA VAL A 30 10.496 -1.159 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 30 9.220 -3.199 0.179 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.121 -2.455 -0.868 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.962 -1.117 -0.049 1.00 0.00 H new ATOM 0 HG13 VAL A 30 8.027 -1.256 -1.822 1.00 0.00 H new ATOM 0 HG21 VAL A 30 8.406 -4.317 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 30 9.365 -3.194 -2.852 1.00 0.00 H new ATOM 0 HG23 VAL A 30 10.183 -4.336 -1.759 1.00 0.00 H new ATOM 475 N LYS A 31 9.705 0.139 0.431 1.00 0.00 N ATOM 476 CA LYS A 31 9.618 1.062 1.557 1.00 0.00 C ATOM 477 C LYS A 31 8.290 1.812 1.543 1.00 0.00 C ATOM 478 O LYS A 31 7.728 2.081 0.481 1.00 0.00 O ATOM 479 CB LYS A 31 10.779 2.058 1.517 1.00 0.00 C ATOM 480 CG LYS A 31 10.784 3.032 2.683 1.00 0.00 C ATOM 481 CD LYS A 31 11.476 4.335 2.318 1.00 0.00 C ATOM 482 CE LYS A 31 11.209 5.417 3.352 1.00 0.00 C ATOM 483 NZ LYS A 31 12.118 5.301 4.525 1.00 0.00 N ATOM 0 H LYS A 31 9.089 0.366 -0.349 1.00 0.00 H new ATOM 0 HA LYS A 31 9.678 0.481 2.477 1.00 0.00 H new ATOM 0 HB2 LYS A 31 11.720 1.507 1.510 1.00 0.00 H new ATOM 0 HB3 LYS A 31 10.732 2.620 0.585 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.759 3.237 2.991 1.00 0.00 H new ATOM 0 HG3 LYS A 31 11.288 2.578 3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 31 12.550 4.167 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.129 4.671 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.333 6.397 2.892 1.00 0.00 H new ATOM 0 HE3 LYS A 31 10.174 5.351 3.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 11.904 6.057 5.206 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.981 4.376 4.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 13.105 5.389 4.209 1.00 0.00 H new ATOM 497 N PHE A 32 7.793 2.148 2.729 1.00 0.00 N ATOM 498 CA PHE A 32 6.531 2.868 2.853 1.00 0.00 C ATOM 499 C PHE A 32 6.712 4.148 3.664 1.00 0.00 C ATOM 500 O PHE A 32 7.330 4.138 4.729 1.00 0.00 O ATOM 501 CB PHE A 32 5.475 1.978 3.512 1.00 0.00 C ATOM 502 CG PHE A 32 4.100 2.584 3.519 1.00 0.00 C ATOM 503 CD1 PHE A 32 3.539 3.073 2.350 1.00 0.00 C ATOM 504 CD2 PHE A 32 3.369 2.663 4.693 1.00 0.00 C ATOM 505 CE1 PHE A 32 2.275 3.632 2.354 1.00 0.00 C ATOM 506 CE2 PHE A 32 2.105 3.220 4.703 1.00 0.00 C ATOM 507 CZ PHE A 32 1.556 3.704 3.531 1.00 0.00 C ATOM 0 H PHE A 32 8.245 1.933 3.618 1.00 0.00 H new ATOM 0 HA PHE A 32 6.195 3.138 1.852 1.00 0.00 H new ATOM 0 HB2 PHE A 32 5.439 1.022 2.989 1.00 0.00 H new ATOM 0 HB3 PHE A 32 5.777 1.769 4.538 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.095 3.017 1.426 1.00 0.00 H new ATOM 0 HD2 PHE A 32 3.792 2.285 5.612 1.00 0.00 H new ATOM 0 HE1 PHE A 32 1.850 4.012 1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 32 1.547 3.277 5.626 1.00 0.00 H new ATOM 0 HZ PHE A 32 0.567 4.138 3.535 1.00 0.00 H new ATOM 517 N ASP A 33 6.170 5.247 3.152 1.00 0.00 N ATOM 518 CA ASP A 33 6.271 6.535 3.827 1.00 0.00 C ATOM 519 C ASP A 33 4.891 7.052 4.222 1.00 0.00 C ATOM 520 O ASP A 33 4.755 8.162 4.733 1.00 0.00 O ATOM 521 CB ASP A 33 6.972 7.554 2.927 1.00 0.00 C ATOM 522 CG ASP A 33 6.540 7.440 1.478 1.00 0.00 C ATOM 523 OD1 ASP A 33 5.326 7.556 1.211 1.00 0.00 O ATOM 524 OD2 ASP A 33 7.417 7.234 0.612 1.00 0.00 O ATOM 0 H ASP A 33 5.656 5.272 2.271 1.00 0.00 H new ATOM 0 HA ASP A 33 6.860 6.396 4.733 1.00 0.00 H new ATOM 0 HB2 ASP A 33 6.760 8.560 3.288 1.00 0.00 H new ATOM 0 HB3 ASP A 33 8.051 7.412 2.994 1.00 0.00 H new ATOM 529 N GLY A 34 3.868 6.237 3.980 1.00 0.00 N ATOM 530 CA GLY A 34 2.512 6.629 4.314 1.00 0.00 C ATOM 531 C GLY A 34 1.728 7.097 3.104 1.00 0.00 C ATOM 532 O GLY A 34 0.532 6.828 2.988 1.00 0.00 O ATOM 0 H GLY A 34 3.955 5.312 3.558 1.00 0.00 H new ATOM 0 HA2 GLY A 34 1.996 5.786 4.773 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.540 7.427 5.056 1.00 0.00 H new ATOM 536 N LEU A 35 2.402 7.800 2.201 1.00 0.00 N ATOM 537 CA LEU A 35 1.760 8.308 0.993 1.00 0.00 C ATOM 538 C LEU A 35 1.777 7.260 -0.115 1.00 0.00 C ATOM 539 O LEU A 35 0.729 6.860 -0.621 1.00 0.00 O ATOM 540 CB LEU A 35 2.462 9.582 0.517 1.00 0.00 C ATOM 541 CG LEU A 35 2.057 10.875 1.224 1.00 0.00 C ATOM 542 CD1 LEU A 35 3.131 11.938 1.048 1.00 0.00 C ATOM 543 CD2 LEU A 35 0.719 11.374 0.700 1.00 0.00 C ATOM 0 H LEU A 35 3.392 8.031 2.282 1.00 0.00 H new ATOM 0 HA LEU A 35 0.722 8.539 1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.537 9.447 0.637 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.273 9.700 -0.550 1.00 0.00 H new ATOM 0 HG LEU A 35 1.952 10.666 2.289 1.00 0.00 H new ATOM 0 HD11 LEU A 35 2.826 12.852 1.558 1.00 0.00 H new ATOM 0 HD12 LEU A 35 4.069 11.581 1.473 1.00 0.00 H new ATOM 0 HD13 LEU A 35 3.269 12.144 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 35 0.447 12.295 1.215 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.796 11.566 -0.370 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.046 10.619 0.879 1.00 0.00 H new ATOM 555 N SER A 36 2.975 6.817 -0.485 1.00 0.00 N ATOM 556 CA SER A 36 3.128 5.816 -1.534 1.00 0.00 C ATOM 557 C SER A 36 4.262 4.851 -1.202 1.00 0.00 C ATOM 558 O SER A 36 5.184 5.191 -0.460 1.00 0.00 O ATOM 559 CB SER A 36 3.397 6.493 -2.879 1.00 0.00 C ATOM 560 OG SER A 36 2.561 7.623 -3.058 1.00 0.00 O ATOM 0 H SER A 36 3.853 7.135 -0.074 1.00 0.00 H new ATOM 0 HA SER A 36 2.199 5.249 -1.600 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.442 6.798 -2.934 1.00 0.00 H new ATOM 0 HB3 SER A 36 3.230 5.781 -3.688 1.00 0.00 H new ATOM 0 HG SER A 36 2.754 8.039 -3.924 1.00 0.00 H new ATOM 566 N ILE A 37 4.187 3.646 -1.757 1.00 0.00 N ATOM 567 CA ILE A 37 5.207 2.632 -1.522 1.00 0.00 C ATOM 568 C ILE A 37 6.335 2.739 -2.542 1.00 0.00 C ATOM 569 O ILE A 37 6.180 2.346 -3.698 1.00 0.00 O ATOM 570 CB ILE A 37 4.613 1.212 -1.577 1.00 0.00 C ATOM 571 CG1 ILE A 37 3.599 1.015 -0.448 1.00 0.00 C ATOM 572 CG2 ILE A 37 5.719 0.171 -1.491 1.00 0.00 C ATOM 573 CD1 ILE A 37 2.534 -0.011 -0.765 1.00 0.00 C ATOM 0 H ILE A 37 3.430 3.348 -2.373 1.00 0.00 H new ATOM 0 HA ILE A 37 5.606 2.812 -0.524 1.00 0.00 H new ATOM 0 HB ILE A 37 4.097 1.087 -2.529 1.00 0.00 H new ATOM 0 HG12 ILE A 37 4.128 0.711 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 37 3.119 1.969 -0.231 1.00 0.00 H new ATOM 0 HG21 ILE A 37 5.283 -0.827 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 37 6.406 0.301 -2.327 1.00 0.00 H new ATOM 0 HG23 ILE A 37 6.261 0.293 -0.553 1.00 0.00 H new ATOM 0 HD11 ILE A 37 1.850 -0.099 0.079 1.00 0.00 H new ATOM 0 HD12 ILE A 37 1.980 0.302 -1.650 1.00 0.00 H new ATOM 0 HD13 ILE A 37 3.004 -0.977 -0.953 1.00 0.00 H new ATOM 585 N SER A 38 7.472 3.273 -2.106 1.00 0.00 N ATOM 586 CA SER A 38 8.627 3.433 -2.981 1.00 0.00 C ATOM 587 C SER A 38 9.572 2.242 -2.858 1.00 0.00 C ATOM 588 O SER A 38 10.084 1.951 -1.777 1.00 0.00 O ATOM 589 CB SER A 38 9.371 4.727 -2.646 1.00 0.00 C ATOM 590 OG SER A 38 9.886 4.692 -1.326 1.00 0.00 O ATOM 0 H SER A 38 7.617 3.602 -1.152 1.00 0.00 H new ATOM 0 HA SER A 38 8.269 3.484 -4.009 1.00 0.00 H new ATOM 0 HB2 SER A 38 10.186 4.875 -3.354 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.697 5.576 -2.754 1.00 0.00 H new ATOM 0 HG SER A 38 10.221 3.792 -1.129 1.00 0.00 H new ATOM 596 N TYR A 39 9.798 1.557 -3.973 1.00 0.00 N ATOM 597 CA TYR A 39 10.680 0.396 -3.991 1.00 0.00 C ATOM 598 C TYR A 39 11.814 0.588 -4.994 1.00 0.00 C ATOM 599 O TYR A 39 11.617 1.153 -6.070 1.00 0.00 O ATOM 600 CB TYR A 39 9.888 -0.866 -4.336 1.00 0.00 C ATOM 601 CG TYR A 39 9.206 -0.804 -5.684 1.00 0.00 C ATOM 602 CD1 TYR A 39 7.936 -0.257 -5.817 1.00 0.00 C ATOM 603 CD2 TYR A 39 9.831 -1.293 -6.825 1.00 0.00 C ATOM 604 CE1 TYR A 39 7.308 -0.198 -7.046 1.00 0.00 C ATOM 605 CE2 TYR A 39 9.212 -1.237 -8.058 1.00 0.00 C ATOM 606 CZ TYR A 39 7.950 -0.689 -8.164 1.00 0.00 C ATOM 607 OH TYR A 39 7.329 -0.633 -9.391 1.00 0.00 O ATOM 0 H TYR A 39 9.383 1.785 -4.876 1.00 0.00 H new ATOM 0 HA TYR A 39 11.113 0.285 -2.997 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.561 -1.723 -4.318 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.136 -1.035 -3.565 1.00 0.00 H new ATOM 0 HD1 TYR A 39 7.431 0.129 -4.944 1.00 0.00 H new ATOM 0 HD2 TYR A 39 10.818 -1.724 -6.746 1.00 0.00 H new ATOM 0 HE1 TYR A 39 6.320 0.230 -7.131 1.00 0.00 H new ATOM 0 HE2 TYR A 39 9.713 -1.620 -8.935 1.00 0.00 H new ATOM 0 HH TYR A 39 7.917 -1.019 -10.073 1.00 0.00 H new ATOM 617 N TYR A 40 13.001 0.114 -4.632 1.00 0.00 N ATOM 618 CA TYR A 40 14.168 0.234 -5.498 1.00 0.00 C ATOM 619 C TYR A 40 14.857 -1.115 -5.673 1.00 0.00 C ATOM 620 O TYR A 40 14.568 -2.071 -4.954 1.00 0.00 O ATOM 621 CB TYR A 40 15.153 1.252 -4.921 1.00 0.00 C ATOM 622 CG TYR A 40 14.516 2.575 -4.561 1.00 0.00 C ATOM 623 CD1 TYR A 40 13.737 2.705 -3.418 1.00 0.00 C ATOM 624 CD2 TYR A 40 14.695 3.696 -5.362 1.00 0.00 C ATOM 625 CE1 TYR A 40 13.152 3.911 -3.085 1.00 0.00 C ATOM 626 CE2 TYR A 40 14.116 4.907 -5.036 1.00 0.00 C ATOM 627 CZ TYR A 40 13.344 5.009 -3.897 1.00 0.00 C ATOM 628 OH TYR A 40 12.765 6.213 -3.569 1.00 0.00 O ATOM 0 H TYR A 40 13.180 -0.357 -3.745 1.00 0.00 H new ATOM 0 HA TYR A 40 13.831 0.578 -6.476 1.00 0.00 H new ATOM 0 HB2 TYR A 40 15.620 0.829 -4.031 1.00 0.00 H new ATOM 0 HB3 TYR A 40 15.948 1.427 -5.646 1.00 0.00 H new ATOM 0 HD1 TYR A 40 13.586 1.848 -2.779 1.00 0.00 H new ATOM 0 HD2 TYR A 40 15.297 3.619 -6.255 1.00 0.00 H new ATOM 0 HE1 TYR A 40 12.548 3.994 -2.194 1.00 0.00 H new ATOM 0 HE2 TYR A 40 14.267 5.769 -5.669 1.00 0.00 H new ATOM 0 HH TYR A 40 13.000 6.884 -4.244 1.00 0.00 H new ATOM 789 N GLY A 50 9.063 3.382 -10.360 1.00 0.00 N ATOM 790 CA GLY A 50 8.688 2.200 -9.607 1.00 0.00 C ATOM 791 C GLY A 50 8.115 2.539 -8.244 1.00 0.00 C ATOM 792 O GLY A 50 8.739 2.269 -7.217 1.00 0.00 O ATOM 0 HA2 GLY A 50 7.953 1.629 -10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 50 9.562 1.560 -9.482 1.00 0.00 H new ATOM 796 N ILE A 51 6.927 3.132 -8.235 1.00 0.00 N ATOM 797 CA ILE A 51 6.271 3.508 -6.988 1.00 0.00 C ATOM 798 C ILE A 51 4.763 3.300 -7.076 1.00 0.00 C ATOM 799 O ILE A 51 4.140 3.617 -8.090 1.00 0.00 O ATOM 800 CB ILE A 51 6.555 4.977 -6.624 1.00 0.00 C ATOM 801 CG1 ILE A 51 6.166 5.249 -5.169 1.00 0.00 C ATOM 802 CG2 ILE A 51 5.804 5.910 -7.562 1.00 0.00 C ATOM 803 CD1 ILE A 51 6.605 6.608 -4.670 1.00 0.00 C ATOM 0 H ILE A 51 6.398 3.363 -9.076 1.00 0.00 H new ATOM 0 HA ILE A 51 6.679 2.864 -6.209 1.00 0.00 H new ATOM 0 HB ILE A 51 7.623 5.164 -6.736 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.084 5.167 -5.069 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.604 4.479 -4.534 1.00 0.00 H new ATOM 0 HG21 ILE A 51 6.015 6.945 -7.292 1.00 0.00 H new ATOM 0 HG22 ILE A 51 6.125 5.730 -8.588 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.733 5.725 -7.479 1.00 0.00 H new ATOM 0 HD11 ILE A 51 6.296 6.732 -3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 51 7.690 6.687 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 51 6.146 7.386 -5.281 1.00 0.00 H new ATOM 815 N ILE A 52 4.182 2.767 -6.006 1.00 0.00 N ATOM 816 CA ILE A 52 2.746 2.520 -5.961 1.00 0.00 C ATOM 817 C ILE A 52 2.049 3.498 -5.021 1.00 0.00 C ATOM 818 O ILE A 52 2.275 3.502 -3.811 1.00 0.00 O ATOM 819 CB ILE A 52 2.437 1.081 -5.508 1.00 0.00 C ATOM 820 CG1 ILE A 52 3.285 0.081 -6.296 1.00 0.00 C ATOM 821 CG2 ILE A 52 0.956 0.778 -5.681 1.00 0.00 C ATOM 822 CD1 ILE A 52 3.602 -1.182 -5.526 1.00 0.00 C ATOM 0 H ILE A 52 4.683 2.498 -5.159 1.00 0.00 H new ATOM 0 HA ILE A 52 2.369 2.662 -6.974 1.00 0.00 H new ATOM 0 HB ILE A 52 2.687 0.988 -4.451 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.760 -0.185 -7.213 1.00 0.00 H new ATOM 0 HG13 ILE A 52 4.218 0.561 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.753 -0.243 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.370 1.473 -5.080 1.00 0.00 H new ATOM 0 HG23 ILE A 52 0.683 0.886 -6.731 1.00 0.00 H new ATOM 0 HD11 ILE A 52 4.206 -1.844 -6.146 1.00 0.00 H new ATOM 0 HD12 ILE A 52 4.155 -0.928 -4.622 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.674 -1.685 -5.254 1.00 0.00 H new ATOM 834 N PRO A 53 1.179 4.346 -5.589 1.00 0.00 N ATOM 835 CA PRO A 53 0.429 5.343 -4.820 1.00 0.00 C ATOM 836 C PRO A 53 -0.627 4.708 -3.921 1.00 0.00 C ATOM 837 O PRO A 53 -1.411 3.867 -4.365 1.00 0.00 O ATOM 838 CB PRO A 53 -0.235 6.200 -5.901 1.00 0.00 C ATOM 839 CG PRO A 53 -0.340 5.301 -7.085 1.00 0.00 C ATOM 840 CD PRO A 53 0.860 4.397 -7.026 1.00 0.00 C ATOM 0 HA PRO A 53 1.074 5.907 -4.146 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -1.217 6.550 -5.581 1.00 0.00 H new ATOM 0 HB3 PRO A 53 0.361 7.084 -6.127 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -1.265 4.725 -7.057 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -0.351 5.875 -8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 53 0.637 3.407 -7.423 1.00 0.00 H new ATOM 0 HD3 PRO A 53 1.691 4.794 -7.608 1.00 0.00 H new ATOM 848 N LEU A 54 -0.643 5.114 -2.657 1.00 0.00 N ATOM 849 CA LEU A 54 -1.603 4.585 -1.695 1.00 0.00 C ATOM 850 C LEU A 54 -3.014 4.590 -2.275 1.00 0.00 C ATOM 851 O LEU A 54 -3.835 3.734 -1.945 1.00 0.00 O ATOM 852 CB LEU A 54 -1.567 5.405 -0.404 1.00 0.00 C ATOM 853 CG LEU A 54 -2.748 5.211 0.547 1.00 0.00 C ATOM 854 CD1 LEU A 54 -2.644 3.872 1.261 1.00 0.00 C ATOM 855 CD2 LEU A 54 -2.815 6.350 1.554 1.00 0.00 C ATOM 0 H LEU A 54 -0.002 5.808 -2.274 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.325 3.555 -1.471 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.650 5.161 0.133 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.509 6.461 -0.669 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.667 5.217 -0.040 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.493 3.751 1.934 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.646 3.067 0.526 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -1.718 3.837 1.835 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.662 6.195 2.223 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.893 6.376 2.135 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -2.938 7.296 1.026 1.00 0.00 H new ATOM 867 N SER A 55 -3.288 5.559 -3.143 1.00 0.00 N ATOM 868 CA SER A 55 -4.600 5.677 -3.768 1.00 0.00 C ATOM 869 C SER A 55 -4.877 4.483 -4.677 1.00 0.00 C ATOM 870 O SER A 55 -5.999 3.981 -4.736 1.00 0.00 O ATOM 871 CB SER A 55 -4.692 6.976 -4.570 1.00 0.00 C ATOM 872 OG SER A 55 -3.739 6.995 -5.620 1.00 0.00 O ATOM 0 H SER A 55 -2.619 6.274 -3.429 1.00 0.00 H new ATOM 0 HA SER A 55 -5.351 5.693 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 55 -5.695 7.082 -4.983 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.527 7.827 -3.910 1.00 0.00 H new ATOM 0 HG SER A 55 -3.819 7.835 -6.119 1.00 0.00 H new ATOM 878 N ALA A 56 -3.846 4.035 -5.385 1.00 0.00 N ATOM 879 CA ALA A 56 -3.976 2.900 -6.291 1.00 0.00 C ATOM 880 C ALA A 56 -4.452 1.656 -5.547 1.00 0.00 C ATOM 881 O ALA A 56 -5.285 0.902 -6.050 1.00 0.00 O ATOM 882 CB ALA A 56 -2.652 2.626 -6.988 1.00 0.00 C ATOM 0 H ALA A 56 -2.911 4.441 -5.349 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.724 3.151 -7.043 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.764 1.776 -7.661 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.353 3.505 -7.560 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.889 2.401 -6.243 1.00 0.00 H new ATOM 888 N ILE A 57 -3.918 1.449 -4.348 1.00 0.00 N ATOM 889 CA ILE A 57 -4.290 0.297 -3.536 1.00 0.00 C ATOM 890 C ILE A 57 -5.798 0.240 -3.319 1.00 0.00 C ATOM 891 O ILE A 57 -6.408 1.212 -2.874 1.00 0.00 O ATOM 892 CB ILE A 57 -3.586 0.324 -2.166 1.00 0.00 C ATOM 893 CG1 ILE A 57 -2.071 0.208 -2.344 1.00 0.00 C ATOM 894 CG2 ILE A 57 -4.109 -0.798 -1.281 1.00 0.00 C ATOM 895 CD1 ILE A 57 -1.286 0.592 -1.109 1.00 0.00 C ATOM 0 H ILE A 57 -3.227 2.063 -3.918 1.00 0.00 H new ATOM 0 HA ILE A 57 -3.971 -0.590 -4.083 1.00 0.00 H new ATOM 0 HB ILE A 57 -3.803 1.275 -1.680 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -1.823 -0.817 -2.618 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.761 0.843 -3.174 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.603 -0.767 -0.316 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -5.182 -0.674 -1.132 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -3.918 -1.758 -1.760 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.220 0.486 -1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -1.505 1.627 -0.846 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.567 -0.060 -0.282 1.00 0.00 H new ATOM 907 N SER A 58 -6.393 -0.905 -3.637 1.00 0.00 N ATOM 908 CA SER A 58 -7.831 -1.089 -3.479 1.00 0.00 C ATOM 909 C SER A 58 -8.140 -1.921 -2.237 1.00 0.00 C ATOM 910 O SER A 58 -8.974 -1.544 -1.414 1.00 0.00 O ATOM 911 CB SER A 58 -8.420 -1.764 -4.719 1.00 0.00 C ATOM 912 OG SER A 58 -8.648 -0.823 -5.753 1.00 0.00 O ATOM 0 H SER A 58 -5.902 -1.719 -4.006 1.00 0.00 H new ATOM 0 HA SER A 58 -8.287 -0.106 -3.359 1.00 0.00 H new ATOM 0 HB2 SER A 58 -7.740 -2.539 -5.072 1.00 0.00 H new ATOM 0 HB3 SER A 58 -9.357 -2.256 -4.458 1.00 0.00 H new ATOM 0 HG SER A 58 -9.023 -1.280 -6.535 1.00 0.00 H new ATOM 918 N THR A 59 -7.459 -3.055 -2.109 1.00 0.00 N ATOM 919 CA THR A 59 -7.660 -3.943 -0.970 1.00 0.00 C ATOM 920 C THR A 59 -6.508 -4.932 -0.835 1.00 0.00 C ATOM 921 O THR A 59 -5.937 -5.375 -1.831 1.00 0.00 O ATOM 922 CB THR A 59 -8.982 -4.724 -1.093 1.00 0.00 C ATOM 923 OG1 THR A 59 -9.305 -5.339 0.159 1.00 0.00 O ATOM 924 CG2 THR A 59 -8.883 -5.788 -2.176 1.00 0.00 C ATOM 0 H THR A 59 -6.763 -3.381 -2.780 1.00 0.00 H new ATOM 0 HA THR A 59 -7.701 -3.314 -0.081 1.00 0.00 H new ATOM 0 HB THR A 59 -9.770 -4.022 -1.367 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.148 -5.832 0.073 1.00 0.00 H new ATOM 0 HG21 THR A 59 -9.828 -6.326 -2.245 1.00 0.00 H new ATOM 0 HG22 THR A 59 -8.665 -5.314 -3.133 1.00 0.00 H new ATOM 0 HG23 THR A 59 -8.084 -6.487 -1.927 1.00 0.00 H new ATOM 932 N VAL A 60 -6.173 -5.276 0.404 1.00 0.00 N ATOM 933 CA VAL A 60 -5.090 -6.216 0.670 1.00 0.00 C ATOM 934 C VAL A 60 -5.600 -7.447 1.411 1.00 0.00 C ATOM 935 O VAL A 60 -6.436 -7.342 2.308 1.00 0.00 O ATOM 936 CB VAL A 60 -3.968 -5.561 1.498 1.00 0.00 C ATOM 937 CG1 VAL A 60 -2.716 -6.423 1.477 1.00 0.00 C ATOM 938 CG2 VAL A 60 -3.671 -4.162 0.978 1.00 0.00 C ATOM 0 H VAL A 60 -6.636 -4.918 1.240 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.689 -6.518 -0.298 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.304 -5.477 2.531 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.935 -5.944 2.067 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.941 -7.402 1.900 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.373 -6.542 0.449 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.876 -3.713 1.574 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.355 -4.220 -0.063 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -4.569 -3.549 1.051 1.00 0.00 H new ATOM 948 N ARG A 61 -5.090 -8.614 1.030 1.00 0.00 N ATOM 949 CA ARG A 61 -5.495 -9.866 1.657 1.00 0.00 C ATOM 950 C ARG A 61 -4.340 -10.862 1.677 1.00 0.00 C ATOM 951 O ARG A 61 -3.500 -10.873 0.776 1.00 0.00 O ATOM 952 CB ARG A 61 -6.690 -10.469 0.917 1.00 0.00 C ATOM 953 CG ARG A 61 -6.425 -10.732 -0.556 1.00 0.00 C ATOM 954 CD ARG A 61 -7.696 -11.136 -1.287 1.00 0.00 C ATOM 955 NE ARG A 61 -8.029 -12.541 -1.069 1.00 0.00 N ATOM 956 CZ ARG A 61 -8.823 -13.242 -1.871 1.00 0.00 C ATOM 957 NH1 ARG A 61 -9.362 -12.670 -2.939 1.00 0.00 N ATOM 958 NH2 ARG A 61 -9.079 -14.516 -1.606 1.00 0.00 N ATOM 0 H ARG A 61 -4.396 -8.718 0.290 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.785 -9.651 2.686 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -6.971 -11.405 1.400 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -7.542 -9.795 1.009 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -6.008 -9.837 -1.017 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.679 -11.520 -0.658 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -8.523 -10.511 -0.950 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.574 -10.954 -2.355 1.00 0.00 H new ATOM 0 HE ARG A 61 -7.630 -13.010 -0.256 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -9.167 -11.690 -3.146 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -9.971 -13.210 -3.554 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -8.666 -14.959 -0.785 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.689 -15.053 -2.223 1.00 0.00 H new ATOM 972 N VAL A 62 -4.303 -11.698 2.710 1.00 0.00 N ATOM 973 CA VAL A 62 -3.251 -12.698 2.847 1.00 0.00 C ATOM 974 C VAL A 62 -3.469 -13.860 1.884 1.00 0.00 C ATOM 975 O VAL A 62 -4.587 -14.355 1.737 1.00 0.00 O ATOM 976 CB VAL A 62 -3.180 -13.244 4.285 1.00 0.00 C ATOM 977 CG1 VAL A 62 -2.890 -12.121 5.269 1.00 0.00 C ATOM 978 CG2 VAL A 62 -4.472 -13.961 4.647 1.00 0.00 C ATOM 0 H VAL A 62 -4.990 -11.702 3.464 1.00 0.00 H new ATOM 0 HA VAL A 62 -2.310 -12.203 2.607 1.00 0.00 H new ATOM 0 HB VAL A 62 -2.364 -13.964 4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.844 -12.526 6.280 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.936 -11.656 5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.682 -11.375 5.213 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -4.404 -14.340 5.667 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.307 -13.265 4.574 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.631 -14.792 3.960 1.00 0.00 H new ATOM 988 N GLN A 63 -2.395 -14.291 1.232 1.00 0.00 N ATOM 989 CA GLN A 63 -2.469 -15.395 0.283 1.00 0.00 C ATOM 990 C GLN A 63 -1.168 -16.191 0.270 1.00 0.00 C ATOM 991 O GLN A 63 -0.107 -15.659 -0.055 1.00 0.00 O ATOM 992 CB GLN A 63 -2.773 -14.869 -1.121 1.00 0.00 C ATOM 993 CG GLN A 63 -2.684 -15.934 -2.202 1.00 0.00 C ATOM 994 CD GLN A 63 -3.398 -15.532 -3.478 1.00 0.00 C ATOM 995 OE1 GLN A 63 -4.612 -15.695 -3.601 1.00 0.00 O ATOM 996 NE2 GLN A 63 -2.646 -15.003 -4.436 1.00 0.00 N ATOM 0 H GLN A 63 -1.463 -13.892 1.343 1.00 0.00 H new ATOM 0 HA GLN A 63 -3.275 -16.058 0.598 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -3.774 -14.437 -1.129 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -2.077 -14.064 -1.357 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.636 -16.134 -2.424 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.113 -16.863 -1.827 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.643 -14.886 -4.291 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.071 -14.713 -5.317 1.00 0.00 H new ATOM 1005 N GLY A 64 -1.257 -17.469 0.625 1.00 0.00 N ATOM 1006 CA GLY A 64 -0.080 -18.317 0.648 1.00 0.00 C ATOM 1007 C GLY A 64 0.689 -18.206 1.950 1.00 0.00 C ATOM 1008 O GLY A 64 0.290 -17.472 2.854 1.00 0.00 O ATOM 0 H GLY A 64 -2.124 -17.932 0.897 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -0.380 -19.354 0.494 1.00 0.00 H new ATOM 0 HA3 GLY A 64 0.574 -18.048 -0.181 1.00 0.00 H new ATOM 1012 N ASP A 65 1.794 -18.938 2.046 1.00 0.00 N ATOM 1013 CA ASP A 65 2.620 -18.919 3.248 1.00 0.00 C ATOM 1014 C ASP A 65 3.527 -17.692 3.264 1.00 0.00 C ATOM 1015 O ASP A 65 4.346 -17.502 2.366 1.00 0.00 O ATOM 1016 CB ASP A 65 3.463 -20.193 3.333 1.00 0.00 C ATOM 1017 CG ASP A 65 2.632 -21.449 3.158 1.00 0.00 C ATOM 1018 OD1 ASP A 65 2.350 -21.816 1.999 1.00 0.00 O ATOM 1019 OD2 ASP A 65 2.264 -22.064 4.181 1.00 0.00 O ATOM 0 H ASP A 65 2.138 -19.551 1.307 1.00 0.00 H new ATOM 0 HA ASP A 65 1.959 -18.872 4.113 1.00 0.00 H new ATOM 0 HB2 ASP A 65 4.238 -20.164 2.567 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.969 -20.227 4.298 1.00 0.00 H new ATOM 1024 N ASN A 66 3.374 -16.863 4.291 1.00 0.00 N ATOM 1025 CA ASN A 66 4.178 -15.654 4.424 1.00 0.00 C ATOM 1026 C ASN A 66 4.120 -14.820 3.148 1.00 0.00 C ATOM 1027 O ASN A 66 5.149 -14.387 2.628 1.00 0.00 O ATOM 1028 CB ASN A 66 5.629 -16.014 4.746 1.00 0.00 C ATOM 1029 CG ASN A 66 5.761 -16.770 6.054 1.00 0.00 C ATOM 1030 OD1 ASN A 66 4.872 -16.721 6.904 1.00 0.00 O ATOM 1031 ND2 ASN A 66 6.874 -17.475 6.220 1.00 0.00 N ATOM 0 H ASN A 66 2.700 -17.006 5.043 1.00 0.00 H new ATOM 0 HA ASN A 66 3.768 -15.063 5.243 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.038 -16.619 3.937 1.00 0.00 H new ATOM 0 HB3 ASN A 66 6.224 -15.102 4.795 1.00 0.00 H new ATOM 0 HD21 ASN A 66 7.019 -18.005 7.079 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.584 -17.487 5.488 1.00 0.00 H new ATOM 1038 N LYS A 67 2.910 -14.597 2.647 1.00 0.00 N ATOM 1039 CA LYS A 67 2.716 -13.814 1.432 1.00 0.00 C ATOM 1040 C LYS A 67 1.392 -13.057 1.479 1.00 0.00 C ATOM 1041 O LYS A 67 0.514 -13.370 2.283 1.00 0.00 O ATOM 1042 CB LYS A 67 2.751 -14.724 0.203 1.00 0.00 C ATOM 1043 CG LYS A 67 4.149 -15.188 -0.170 1.00 0.00 C ATOM 1044 CD LYS A 67 4.157 -15.918 -1.503 1.00 0.00 C ATOM 1045 CE LYS A 67 3.492 -17.282 -1.395 1.00 0.00 C ATOM 1046 NZ LYS A 67 4.255 -18.203 -0.508 1.00 0.00 N ATOM 0 H LYS A 67 2.048 -14.948 3.064 1.00 0.00 H new ATOM 0 HA LYS A 67 3.527 -13.089 1.363 1.00 0.00 H new ATOM 0 HB2 LYS A 67 2.125 -15.597 0.389 1.00 0.00 H new ATOM 0 HB3 LYS A 67 2.315 -14.194 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 67 4.817 -14.328 -0.221 1.00 0.00 H new ATOM 0 HG3 LYS A 67 4.535 -15.846 0.609 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.639 -15.318 -2.251 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.184 -16.039 -1.847 1.00 0.00 H new ATOM 0 HE2 LYS A 67 2.479 -17.163 -1.010 1.00 0.00 H new ATOM 0 HE3 LYS A 67 3.405 -17.723 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 3.891 -19.171 -0.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.262 -18.180 -0.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 4.145 -17.902 0.481 1.00 0.00 H new ATOM 1060 N PHE A 68 1.255 -12.059 0.612 1.00 0.00 N ATOM 1061 CA PHE A 68 0.039 -11.258 0.554 1.00 0.00 C ATOM 1062 C PHE A 68 -0.178 -10.698 -0.849 1.00 0.00 C ATOM 1063 O PHE A 68 0.777 -10.469 -1.590 1.00 0.00 O ATOM 1064 CB PHE A 68 0.108 -10.113 1.567 1.00 0.00 C ATOM 1065 CG PHE A 68 1.310 -9.230 1.392 1.00 0.00 C ATOM 1066 CD1 PHE A 68 2.572 -9.674 1.751 1.00 0.00 C ATOM 1067 CD2 PHE A 68 1.177 -7.954 0.868 1.00 0.00 C ATOM 1068 CE1 PHE A 68 3.680 -8.864 1.591 1.00 0.00 C ATOM 1069 CE2 PHE A 68 2.282 -7.139 0.705 1.00 0.00 C ATOM 1070 CZ PHE A 68 3.534 -7.594 1.068 1.00 0.00 C ATOM 0 H PHE A 68 1.972 -11.786 -0.060 1.00 0.00 H new ATOM 0 HA PHE A 68 -0.803 -11.904 0.802 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -0.794 -9.507 1.480 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.117 -10.530 2.574 1.00 0.00 H new ATOM 0 HD1 PHE A 68 2.691 -10.666 2.161 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.200 -7.592 0.584 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.658 -9.223 1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 68 2.166 -6.147 0.294 1.00 0.00 H new ATOM 0 HZ PHE A 68 4.398 -6.958 0.943 1.00 0.00 H new ATOM 1080 N GLU A 69 -1.440 -10.481 -1.205 1.00 0.00 N ATOM 1081 CA GLU A 69 -1.782 -9.949 -2.519 1.00 0.00 C ATOM 1082 C GLU A 69 -2.257 -8.503 -2.414 1.00 0.00 C ATOM 1083 O GLU A 69 -3.251 -8.211 -1.750 1.00 0.00 O ATOM 1084 CB GLU A 69 -2.866 -10.807 -3.175 1.00 0.00 C ATOM 1085 CG GLU A 69 -2.947 -10.638 -4.682 1.00 0.00 C ATOM 1086 CD GLU A 69 -3.706 -11.765 -5.356 1.00 0.00 C ATOM 1087 OE1 GLU A 69 -4.530 -12.413 -4.677 1.00 0.00 O ATOM 1088 OE2 GLU A 69 -3.476 -11.999 -6.561 1.00 0.00 O ATOM 0 H GLU A 69 -2.242 -10.665 -0.602 1.00 0.00 H new ATOM 0 HA GLU A 69 -0.885 -9.974 -3.137 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.676 -11.855 -2.945 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.832 -10.555 -2.737 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.433 -9.690 -4.912 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -1.939 -10.588 -5.093 1.00 0.00 H new ATOM 1095 N VAL A 70 -1.538 -7.600 -3.074 1.00 0.00 N ATOM 1096 CA VAL A 70 -1.885 -6.185 -3.056 1.00 0.00 C ATOM 1097 C VAL A 70 -2.663 -5.794 -4.308 1.00 0.00 C ATOM 1098 O VAL A 70 -2.077 -5.472 -5.342 1.00 0.00 O ATOM 1099 CB VAL A 70 -0.629 -5.300 -2.950 1.00 0.00 C ATOM 1100 CG1 VAL A 70 -0.989 -3.835 -3.141 1.00 0.00 C ATOM 1101 CG2 VAL A 70 0.063 -5.517 -1.612 1.00 0.00 C ATOM 0 H VAL A 70 -0.711 -7.824 -3.628 1.00 0.00 H new ATOM 0 HA VAL A 70 -2.510 -6.024 -2.177 1.00 0.00 H new ATOM 0 HB VAL A 70 0.063 -5.585 -3.743 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -0.089 -3.226 -3.063 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -1.437 -3.696 -4.125 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.700 -3.532 -2.373 1.00 0.00 H new ATOM 0 HG21 VAL A 70 0.949 -4.884 -1.553 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -0.621 -5.260 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.357 -6.562 -1.520 1.00 0.00 H new ATOM 1111 N VAL A 71 -3.989 -5.823 -4.207 1.00 0.00 N ATOM 1112 CA VAL A 71 -4.849 -5.470 -5.330 1.00 0.00 C ATOM 1113 C VAL A 71 -4.851 -3.965 -5.569 1.00 0.00 C ATOM 1114 O VAL A 71 -5.192 -3.184 -4.680 1.00 0.00 O ATOM 1115 CB VAL A 71 -6.296 -5.944 -5.099 1.00 0.00 C ATOM 1116 CG1 VAL A 71 -7.142 -5.702 -6.340 1.00 0.00 C ATOM 1117 CG2 VAL A 71 -6.319 -7.414 -4.707 1.00 0.00 C ATOM 0 H VAL A 71 -4.490 -6.087 -3.359 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.445 -5.974 -6.208 1.00 0.00 H new ATOM 0 HB VAL A 71 -6.722 -5.366 -4.279 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -8.161 -6.043 -6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -7.152 -4.637 -6.572 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -6.720 -6.252 -7.181 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.349 -7.732 -4.548 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -5.874 -8.010 -5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -5.750 -7.554 -3.788 1.00 0.00 H new ATOM 1127 N THR A 72 -4.467 -3.562 -6.777 1.00 0.00 N ATOM 1128 CA THR A 72 -4.423 -2.150 -7.133 1.00 0.00 C ATOM 1129 C THR A 72 -5.445 -1.825 -8.217 1.00 0.00 C ATOM 1130 O THR A 72 -6.234 -2.680 -8.618 1.00 0.00 O ATOM 1131 CB THR A 72 -3.023 -1.737 -7.624 1.00 0.00 C ATOM 1132 OG1 THR A 72 -2.790 -2.260 -8.936 1.00 0.00 O ATOM 1133 CG2 THR A 72 -1.947 -2.240 -6.674 1.00 0.00 C ATOM 0 H THR A 72 -4.182 -4.194 -7.525 1.00 0.00 H new ATOM 0 HA THR A 72 -4.663 -1.589 -6.230 1.00 0.00 H new ATOM 0 HB THR A 72 -2.979 -0.648 -7.654 1.00 0.00 H new ATOM 0 HG1 THR A 72 -1.832 -2.428 -9.056 1.00 0.00 H new ATOM 0 HG21 THR A 72 -0.967 -1.936 -7.041 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.110 -1.817 -5.683 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.992 -3.328 -6.616 1.00 0.00 H new ATOM 1141 N THR A 73 -5.426 -0.582 -8.689 1.00 0.00 N ATOM 1142 CA THR A 73 -6.351 -0.143 -9.726 1.00 0.00 C ATOM 1143 C THR A 73 -5.979 -0.736 -11.080 1.00 0.00 C ATOM 1144 O THR A 73 -4.851 -0.581 -11.547 1.00 0.00 O ATOM 1145 CB THR A 73 -6.379 1.393 -9.841 1.00 0.00 C ATOM 1146 OG1 THR A 73 -6.469 1.980 -8.538 1.00 0.00 O ATOM 1147 CG2 THR A 73 -7.555 1.850 -10.691 1.00 0.00 C ATOM 0 H THR A 73 -4.779 0.139 -8.369 1.00 0.00 H new ATOM 0 HA THR A 73 -7.341 -0.496 -9.437 1.00 0.00 H new ATOM 0 HB THR A 73 -5.456 1.717 -10.322 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.485 2.956 -8.619 1.00 0.00 H new ATOM 0 HG21 THR A 73 -7.554 2.938 -10.758 1.00 0.00 H new ATOM 0 HG22 THR A 73 -7.468 1.425 -11.691 1.00 0.00 H new ATOM 0 HG23 THR A 73 -8.486 1.515 -10.234 1.00 0.00 H new ATOM 1155 N GLN A 74 -6.936 -1.414 -11.706 1.00 0.00 N ATOM 1156 CA GLN A 74 -6.707 -2.030 -13.008 1.00 0.00 C ATOM 1157 C GLN A 74 -5.426 -2.858 -13.002 1.00 0.00 C ATOM 1158 O GLN A 74 -4.811 -3.075 -14.046 1.00 0.00 O ATOM 1159 CB GLN A 74 -6.630 -0.958 -14.097 1.00 0.00 C ATOM 1160 CG GLN A 74 -7.922 -0.177 -14.273 1.00 0.00 C ATOM 1161 CD GLN A 74 -9.101 -1.067 -14.613 1.00 0.00 C ATOM 1162 OE1 GLN A 74 -9.636 -1.765 -13.751 1.00 0.00 O ATOM 1163 NE2 GLN A 74 -9.514 -1.048 -15.875 1.00 0.00 N ATOM 0 H GLN A 74 -7.876 -1.550 -11.333 1.00 0.00 H new ATOM 0 HA GLN A 74 -7.546 -2.694 -13.219 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -5.825 -0.264 -13.856 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -6.369 -1.431 -15.044 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -8.138 0.371 -13.356 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -7.790 0.562 -15.063 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -9.042 -0.455 -16.557 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -10.303 -1.627 -16.162 1.00 0.00 H new ATOM 1172 N ARG A 75 -5.030 -3.317 -11.819 1.00 0.00 N ATOM 1173 CA ARG A 75 -3.821 -4.119 -11.677 1.00 0.00 C ATOM 1174 C ARG A 75 -3.697 -4.669 -10.259 1.00 0.00 C ATOM 1175 O ARG A 75 -4.389 -4.220 -9.344 1.00 0.00 O ATOM 1176 CB ARG A 75 -2.586 -3.284 -12.021 1.00 0.00 C ATOM 1177 CG ARG A 75 -1.386 -4.117 -12.440 1.00 0.00 C ATOM 1178 CD ARG A 75 -0.244 -3.241 -12.933 1.00 0.00 C ATOM 1179 NE ARG A 75 -0.629 -2.442 -14.093 1.00 0.00 N ATOM 1180 CZ ARG A 75 -0.002 -1.330 -14.460 1.00 0.00 C ATOM 1181 NH1 ARG A 75 1.036 -0.889 -13.762 1.00 0.00 N ATOM 1182 NH2 ARG A 75 -0.411 -0.658 -15.528 1.00 0.00 N ATOM 0 H ARG A 75 -5.529 -3.147 -10.946 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.888 -4.958 -12.369 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.837 -2.593 -12.826 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.314 -2.679 -11.156 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -1.047 -4.718 -11.596 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.680 -4.810 -13.228 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.079 -2.580 -12.129 1.00 0.00 H new ATOM 0 HD3 ARG A 75 0.609 -3.869 -13.192 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.423 -2.755 -14.652 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.355 -1.404 -12.941 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.516 -0.035 -14.046 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -1.208 -0.995 -16.068 1.00 0.00 H new ATOM 0 HH22 ARG A 75 0.071 0.196 -15.809 1.00 0.00 H new ATOM 1196 N THR A 76 -2.811 -5.644 -10.083 1.00 0.00 N ATOM 1197 CA THR A 76 -2.598 -6.257 -8.778 1.00 0.00 C ATOM 1198 C THR A 76 -1.143 -6.674 -8.598 1.00 0.00 C ATOM 1199 O THR A 76 -0.563 -7.332 -9.462 1.00 0.00 O ATOM 1200 CB THR A 76 -3.501 -7.489 -8.581 1.00 0.00 C ATOM 1201 OG1 THR A 76 -4.878 -7.105 -8.661 1.00 0.00 O ATOM 1202 CG2 THR A 76 -3.231 -8.149 -7.238 1.00 0.00 C ATOM 0 H THR A 76 -2.229 -6.026 -10.828 1.00 0.00 H new ATOM 0 HA THR A 76 -2.854 -5.506 -8.031 1.00 0.00 H new ATOM 0 HB THR A 76 -3.277 -8.206 -9.371 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.445 -7.894 -8.536 1.00 0.00 H new ATOM 0 HG21 THR A 76 -3.881 -9.017 -7.122 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.189 -8.467 -7.192 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.429 -7.437 -6.436 1.00 0.00 H new ATOM 1210 N PHE A 77 -0.557 -6.288 -7.469 1.00 0.00 N ATOM 1211 CA PHE A 77 0.832 -6.622 -7.176 1.00 0.00 C ATOM 1212 C PHE A 77 0.918 -7.649 -6.051 1.00 0.00 C ATOM 1213 O PHE A 77 0.280 -7.501 -5.009 1.00 0.00 O ATOM 1214 CB PHE A 77 1.612 -5.363 -6.793 1.00 0.00 C ATOM 1215 CG PHE A 77 1.851 -4.431 -7.946 1.00 0.00 C ATOM 1216 CD1 PHE A 77 2.308 -4.916 -9.161 1.00 0.00 C ATOM 1217 CD2 PHE A 77 1.618 -3.072 -7.816 1.00 0.00 C ATOM 1218 CE1 PHE A 77 2.530 -4.061 -10.224 1.00 0.00 C ATOM 1219 CE2 PHE A 77 1.838 -2.212 -8.876 1.00 0.00 C ATOM 1220 CZ PHE A 77 2.293 -2.707 -10.082 1.00 0.00 C ATOM 0 H PHE A 77 -1.022 -5.744 -6.742 1.00 0.00 H new ATOM 0 HA PHE A 77 1.273 -7.055 -8.074 1.00 0.00 H new ATOM 0 HB2 PHE A 77 1.067 -4.831 -6.013 1.00 0.00 H new ATOM 0 HB3 PHE A 77 2.572 -5.656 -6.368 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.493 -5.974 -9.279 1.00 0.00 H new ATOM 0 HD2 PHE A 77 1.260 -2.679 -6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.889 -4.451 -11.165 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.654 -1.154 -8.761 1.00 0.00 H new ATOM 0 HZ PHE A 77 2.463 -2.038 -10.912 1.00 0.00 H new ATOM 1230 N VAL A 78 1.713 -8.692 -6.270 1.00 0.00 N ATOM 1231 CA VAL A 78 1.884 -9.745 -5.276 1.00 0.00 C ATOM 1232 C VAL A 78 3.250 -9.650 -4.605 1.00 0.00 C ATOM 1233 O VAL A 78 4.285 -9.779 -5.258 1.00 0.00 O ATOM 1234 CB VAL A 78 1.730 -11.142 -5.905 1.00 0.00 C ATOM 1235 CG1 VAL A 78 1.750 -12.218 -4.829 1.00 0.00 C ATOM 1236 CG2 VAL A 78 0.450 -11.219 -6.723 1.00 0.00 C ATOM 0 H VAL A 78 2.249 -8.830 -7.127 1.00 0.00 H new ATOM 0 HA VAL A 78 1.104 -9.604 -4.528 1.00 0.00 H new ATOM 0 HB VAL A 78 2.573 -11.315 -6.574 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.640 -13.198 -5.293 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.696 -12.176 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.928 -12.052 -4.133 1.00 0.00 H new ATOM 0 HG21 VAL A 78 0.357 -12.213 -7.160 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -0.407 -11.025 -6.077 1.00 0.00 H new ATOM 0 HG23 VAL A 78 0.481 -10.474 -7.518 1.00 0.00 H new ATOM 1246 N PHE A 79 3.245 -9.424 -3.295 1.00 0.00 N ATOM 1247 CA PHE A 79 4.484 -9.311 -2.534 1.00 0.00 C ATOM 1248 C PHE A 79 4.663 -10.509 -1.606 1.00 0.00 C ATOM 1249 O PHE A 79 3.709 -11.229 -1.313 1.00 0.00 O ATOM 1250 CB PHE A 79 4.491 -8.015 -1.720 1.00 0.00 C ATOM 1251 CG PHE A 79 4.832 -6.799 -2.533 1.00 0.00 C ATOM 1252 CD1 PHE A 79 6.056 -6.698 -3.174 1.00 0.00 C ATOM 1253 CD2 PHE A 79 3.928 -5.755 -2.654 1.00 0.00 C ATOM 1254 CE1 PHE A 79 6.373 -5.580 -3.923 1.00 0.00 C ATOM 1255 CE2 PHE A 79 4.239 -4.635 -3.402 1.00 0.00 C ATOM 1256 CZ PHE A 79 5.463 -4.547 -4.036 1.00 0.00 C ATOM 0 H PHE A 79 2.397 -9.316 -2.739 1.00 0.00 H new ATOM 0 HA PHE A 79 5.315 -9.293 -3.240 1.00 0.00 H new ATOM 0 HB2 PHE A 79 3.510 -7.875 -1.266 1.00 0.00 H new ATOM 0 HB3 PHE A 79 5.209 -8.111 -0.905 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.771 -7.502 -3.088 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.970 -5.817 -2.158 1.00 0.00 H new ATOM 0 HE1 PHE A 79 7.330 -5.514 -4.419 1.00 0.00 H new ATOM 0 HE2 PHE A 79 3.525 -3.829 -3.491 1.00 0.00 H new ATOM 0 HZ PHE A 79 5.708 -3.672 -4.619 1.00 0.00 H new ATOM 1266 N ARG A 80 5.894 -10.716 -1.148 1.00 0.00 N ATOM 1267 CA ARG A 80 6.200 -11.827 -0.255 1.00 0.00 C ATOM 1268 C ARG A 80 7.128 -11.380 0.870 1.00 0.00 C ATOM 1269 O ARG A 80 8.055 -10.600 0.652 1.00 0.00 O ATOM 1270 CB ARG A 80 6.843 -12.974 -1.036 1.00 0.00 C ATOM 1271 CG ARG A 80 7.490 -14.026 -0.151 1.00 0.00 C ATOM 1272 CD ARG A 80 8.002 -15.203 -0.966 1.00 0.00 C ATOM 1273 NE ARG A 80 9.361 -14.982 -1.453 1.00 0.00 N ATOM 1274 CZ ARG A 80 10.436 -15.017 -0.672 1.00 0.00 C ATOM 1275 NH1 ARG A 80 10.309 -15.262 0.625 1.00 0.00 N ATOM 1276 NH2 ARG A 80 11.640 -14.806 -1.188 1.00 0.00 N ATOM 0 H ARG A 80 6.695 -10.129 -1.381 1.00 0.00 H new ATOM 0 HA ARG A 80 5.266 -12.175 0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 80 6.084 -13.450 -1.656 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.596 -12.566 -1.710 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.316 -13.579 0.403 1.00 0.00 H new ATOM 0 HG3 ARG A 80 6.767 -14.379 0.584 1.00 0.00 H new ATOM 0 HD2 ARG A 80 7.978 -16.105 -0.354 1.00 0.00 H new ATOM 0 HD3 ARG A 80 7.337 -15.374 -1.812 1.00 0.00 H new ATOM 0 HE ARG A 80 9.492 -14.790 -2.446 1.00 0.00 H new ATOM 0 HH11 ARG A 80 9.385 -15.424 1.025 1.00 0.00 H new ATOM 0 HH12 ARG A 80 11.135 -15.288 1.222 1.00 0.00 H new ATOM 0 HH21 ARG A 80 11.741 -14.617 -2.185 1.00 0.00 H new ATOM 0 HH22 ARG A 80 12.464 -14.833 -0.588 1.00 0.00 H new ATOM 1290 N VAL A 81 6.872 -11.880 2.075 1.00 0.00 N ATOM 1291 CA VAL A 81 7.684 -11.533 3.235 1.00 0.00 C ATOM 1292 C VAL A 81 8.570 -12.701 3.654 1.00 0.00 C ATOM 1293 O VAL A 81 8.498 -13.785 3.077 1.00 0.00 O ATOM 1294 CB VAL A 81 6.807 -11.114 4.429 1.00 0.00 C ATOM 1295 CG1 VAL A 81 6.377 -9.661 4.292 1.00 0.00 C ATOM 1296 CG2 VAL A 81 5.597 -12.028 4.548 1.00 0.00 C ATOM 0 H VAL A 81 6.109 -12.527 2.273 1.00 0.00 H new ATOM 0 HA VAL A 81 8.311 -10.691 2.942 1.00 0.00 H new ATOM 0 HB VAL A 81 7.396 -11.209 5.341 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.758 -9.383 5.145 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.259 -9.022 4.260 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.805 -9.536 3.373 1.00 0.00 H new ATOM 0 HG21 VAL A 81 4.988 -11.717 5.397 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.004 -11.968 3.635 1.00 0.00 H new ATOM 0 HG23 VAL A 81 5.930 -13.055 4.697 1.00 0.00 H new ATOM 1306 N GLU A 82 9.405 -12.471 4.663 1.00 0.00 N ATOM 1307 CA GLU A 82 10.305 -13.505 5.160 1.00 0.00 C ATOM 1308 C GLU A 82 9.801 -14.076 6.482 1.00 0.00 C ATOM 1309 O GLU A 82 9.973 -15.262 6.765 1.00 0.00 O ATOM 1310 CB GLU A 82 11.716 -12.940 5.340 1.00 0.00 C ATOM 1311 CG GLU A 82 12.732 -13.974 5.796 1.00 0.00 C ATOM 1312 CD GLU A 82 12.662 -15.256 4.988 1.00 0.00 C ATOM 1313 OE1 GLU A 82 11.794 -16.102 5.291 1.00 0.00 O ATOM 1314 OE2 GLU A 82 13.475 -15.413 4.054 1.00 0.00 O ATOM 0 H GLU A 82 9.477 -11.579 5.152 1.00 0.00 H new ATOM 0 HA GLU A 82 10.334 -14.309 4.425 1.00 0.00 H new ATOM 0 HB2 GLU A 82 12.048 -12.508 4.396 1.00 0.00 H new ATOM 0 HB3 GLU A 82 11.684 -12.129 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 82 13.734 -13.553 5.716 1.00 0.00 H new ATOM 0 HG3 GLU A 82 12.565 -14.203 6.849 1.00 0.00 H new ATOM 1321 N LYS A 83 9.180 -13.224 7.289 1.00 0.00 N ATOM 1322 CA LYS A 83 8.649 -13.641 8.582 1.00 0.00 C ATOM 1323 C LYS A 83 7.144 -13.404 8.654 1.00 0.00 C ATOM 1324 O LYS A 83 6.612 -12.527 7.976 1.00 0.00 O ATOM 1325 CB LYS A 83 9.351 -12.885 9.712 1.00 0.00 C ATOM 1326 CG LYS A 83 10.825 -13.222 9.846 1.00 0.00 C ATOM 1327 CD LYS A 83 11.032 -14.542 10.571 1.00 0.00 C ATOM 1328 CE LYS A 83 12.474 -15.013 10.470 1.00 0.00 C ATOM 1329 NZ LYS A 83 12.738 -16.184 11.352 1.00 0.00 N ATOM 0 H LYS A 83 9.031 -12.239 7.071 1.00 0.00 H new ATOM 0 HA LYS A 83 8.836 -14.709 8.697 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.246 -11.814 9.541 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.849 -13.108 10.653 1.00 0.00 H new ATOM 0 HG2 LYS A 83 11.279 -13.275 8.856 1.00 0.00 H new ATOM 0 HG3 LYS A 83 11.334 -12.425 10.388 1.00 0.00 H new ATOM 0 HD2 LYS A 83 10.758 -14.429 11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.371 -15.298 10.148 1.00 0.00 H new ATOM 0 HE2 LYS A 83 12.698 -15.279 9.437 1.00 0.00 H new ATOM 0 HE3 LYS A 83 13.143 -14.196 10.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 13.732 -16.475 11.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 12.549 -15.923 12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.118 -16.972 11.077 1.00 0.00 H new ATOM 1343 N GLU A 84 6.465 -14.192 9.483 1.00 0.00 N ATOM 1344 CA GLU A 84 5.021 -14.066 9.644 1.00 0.00 C ATOM 1345 C GLU A 84 4.647 -12.665 10.119 1.00 0.00 C ATOM 1346 O GLU A 84 3.885 -11.958 9.460 1.00 0.00 O ATOM 1347 CB GLU A 84 4.504 -15.108 10.637 1.00 0.00 C ATOM 1348 CG GLU A 84 3.168 -14.743 11.262 1.00 0.00 C ATOM 1349 CD GLU A 84 2.025 -14.790 10.266 1.00 0.00 C ATOM 1350 OE1 GLU A 84 2.049 -13.999 9.299 1.00 0.00 O ATOM 1351 OE2 GLU A 84 1.108 -15.617 10.452 1.00 0.00 O ATOM 0 H GLU A 84 6.891 -14.923 10.052 1.00 0.00 H new ATOM 0 HA GLU A 84 4.556 -14.238 8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 84 4.407 -16.067 10.127 1.00 0.00 H new ATOM 0 HB3 GLU A 84 5.242 -15.241 11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 84 2.957 -15.427 12.084 1.00 0.00 H new ATOM 0 HG3 GLU A 84 3.232 -13.742 11.689 1.00 0.00 H new ATOM 1358 N GLU A 85 5.188 -12.272 11.268 1.00 0.00 N ATOM 1359 CA GLU A 85 4.910 -10.956 11.832 1.00 0.00 C ATOM 1360 C GLU A 85 4.911 -9.886 10.745 1.00 0.00 C ATOM 1361 O GLU A 85 3.966 -9.108 10.624 1.00 0.00 O ATOM 1362 CB GLU A 85 5.942 -10.609 12.907 1.00 0.00 C ATOM 1363 CG GLU A 85 5.899 -11.531 14.114 1.00 0.00 C ATOM 1364 CD GLU A 85 7.123 -11.393 14.998 1.00 0.00 C ATOM 1365 OE1 GLU A 85 8.187 -11.932 14.627 1.00 0.00 O ATOM 1366 OE2 GLU A 85 7.017 -10.745 16.060 1.00 0.00 O ATOM 0 H GLU A 85 5.821 -12.845 11.826 1.00 0.00 H new ATOM 0 HA GLU A 85 3.919 -10.986 12.286 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.939 -10.647 12.467 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.778 -9.583 13.238 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.006 -11.314 14.700 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.815 -12.563 13.775 1.00 0.00 H new ATOM 1373 N GLU A 86 5.981 -9.854 9.956 1.00 0.00 N ATOM 1374 CA GLU A 86 6.106 -8.879 8.879 1.00 0.00 C ATOM 1375 C GLU A 86 4.840 -8.842 8.028 1.00 0.00 C ATOM 1376 O GLU A 86 4.369 -7.772 7.642 1.00 0.00 O ATOM 1377 CB GLU A 86 7.315 -9.208 8.001 1.00 0.00 C ATOM 1378 CG GLU A 86 8.649 -8.929 8.672 1.00 0.00 C ATOM 1379 CD GLU A 86 9.824 -9.481 7.888 1.00 0.00 C ATOM 1380 OE1 GLU A 86 9.698 -9.628 6.654 1.00 0.00 O ATOM 1381 OE2 GLU A 86 10.869 -9.767 8.509 1.00 0.00 O ATOM 0 H GLU A 86 6.773 -10.491 10.043 1.00 0.00 H new ATOM 0 HA GLU A 86 6.249 -7.896 9.328 1.00 0.00 H new ATOM 0 HB2 GLU A 86 7.273 -10.260 7.719 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.253 -8.628 7.080 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.772 -7.853 8.794 1.00 0.00 H new ATOM 0 HG3 GLU A 86 8.647 -9.365 9.671 1.00 0.00 H new ATOM 1388 N ARG A 87 4.295 -10.019 7.738 1.00 0.00 N ATOM 1389 CA ARG A 87 3.085 -10.123 6.931 1.00 0.00 C ATOM 1390 C ARG A 87 1.981 -9.230 7.490 1.00 0.00 C ATOM 1391 O ARG A 87 1.507 -8.316 6.816 1.00 0.00 O ATOM 1392 CB ARG A 87 2.604 -11.574 6.879 1.00 0.00 C ATOM 1393 CG ARG A 87 1.536 -11.824 5.827 1.00 0.00 C ATOM 1394 CD ARG A 87 0.675 -13.026 6.181 1.00 0.00 C ATOM 1395 NE ARG A 87 1.482 -14.192 6.533 1.00 0.00 N ATOM 1396 CZ ARG A 87 0.994 -15.265 7.147 1.00 0.00 C ATOM 1397 NH1 ARG A 87 -0.290 -15.319 7.474 1.00 0.00 N ATOM 1398 NH2 ARG A 87 1.791 -16.286 7.434 1.00 0.00 N ATOM 0 H ARG A 87 4.672 -10.914 8.050 1.00 0.00 H new ATOM 0 HA ARG A 87 3.322 -9.790 5.921 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.456 -12.224 6.681 1.00 0.00 H new ATOM 0 HB3 ARG A 87 2.211 -11.853 7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 87 0.906 -10.940 5.730 1.00 0.00 H new ATOM 0 HG3 ARG A 87 2.009 -11.987 4.858 1.00 0.00 H new ATOM 0 HD2 ARG A 87 0.022 -12.771 7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 87 0.031 -13.272 5.337 1.00 0.00 H new ATOM 0 HE ARG A 87 2.474 -14.182 6.295 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -0.906 -14.536 7.254 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -0.662 -16.144 7.945 1.00 0.00 H new ATOM 0 HH21 ARG A 87 2.779 -16.248 7.183 1.00 0.00 H new ATOM 0 HH22 ARG A 87 1.416 -17.109 7.905 1.00 0.00 H new ATOM 1412 N ASN A 88 1.576 -9.501 8.727 1.00 0.00 N ATOM 1413 CA ASN A 88 0.527 -8.723 9.376 1.00 0.00 C ATOM 1414 C ASN A 88 0.899 -7.244 9.427 1.00 0.00 C ATOM 1415 O ASN A 88 0.111 -6.382 9.039 1.00 0.00 O ATOM 1416 CB ASN A 88 0.277 -9.247 10.792 1.00 0.00 C ATOM 1417 CG ASN A 88 1.207 -8.621 11.812 1.00 0.00 C ATOM 1418 OD1 ASN A 88 1.110 -7.430 12.110 1.00 0.00 O ATOM 1419 ND2 ASN A 88 2.116 -9.423 12.354 1.00 0.00 N ATOM 0 H ASN A 88 1.958 -10.253 9.300 1.00 0.00 H new ATOM 0 HA ASN A 88 -0.386 -8.830 8.790 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.756 -9.045 11.074 1.00 0.00 H new ATOM 0 HB3 ASN A 88 0.405 -10.329 10.804 1.00 0.00 H new ATOM 0 HD21 ASN A 88 2.770 -9.058 13.047 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.161 -10.404 12.077 1.00 0.00 H new ATOM 1426 N ASP A 89 2.105 -6.960 9.907 1.00 0.00 N ATOM 1427 CA ASP A 89 2.583 -5.586 10.007 1.00 0.00 C ATOM 1428 C ASP A 89 2.357 -4.835 8.698 1.00 0.00 C ATOM 1429 O ASP A 89 1.727 -3.778 8.679 1.00 0.00 O ATOM 1430 CB ASP A 89 4.068 -5.565 10.372 1.00 0.00 C ATOM 1431 CG ASP A 89 4.297 -5.584 11.870 1.00 0.00 C ATOM 1432 OD1 ASP A 89 3.731 -6.469 12.545 1.00 0.00 O ATOM 1433 OD2 ASP A 89 5.041 -4.714 12.368 1.00 0.00 O ATOM 0 H ASP A 89 2.769 -7.663 10.233 1.00 0.00 H new ATOM 0 HA ASP A 89 2.017 -5.087 10.793 1.00 0.00 H new ATOM 0 HB2 ASP A 89 4.562 -6.426 9.921 1.00 0.00 H new ATOM 0 HB3 ASP A 89 4.531 -4.674 9.948 1.00 0.00 H new ATOM 1438 N TRP A 90 2.877 -5.388 7.608 1.00 0.00 N ATOM 1439 CA TRP A 90 2.733 -4.769 6.295 1.00 0.00 C ATOM 1440 C TRP A 90 1.271 -4.454 5.999 1.00 0.00 C ATOM 1441 O TRP A 90 0.909 -3.299 5.773 1.00 0.00 O ATOM 1442 CB TRP A 90 3.299 -5.688 5.211 1.00 0.00 C ATOM 1443 CG TRP A 90 4.778 -5.539 5.020 1.00 0.00 C ATOM 1444 CD1 TRP A 90 5.743 -6.447 5.351 1.00 0.00 C ATOM 1445 CD2 TRP A 90 5.460 -4.415 4.453 1.00 0.00 C ATOM 1446 NE1 TRP A 90 6.984 -5.955 5.026 1.00 0.00 N ATOM 1447 CE2 TRP A 90 6.838 -4.711 4.472 1.00 0.00 C ATOM 1448 CE3 TRP A 90 5.042 -3.189 3.930 1.00 0.00 C ATOM 1449 CZ2 TRP A 90 7.796 -3.823 3.990 1.00 0.00 C ATOM 1450 CZ3 TRP A 90 5.994 -2.309 3.452 1.00 0.00 C ATOM 1451 CH2 TRP A 90 7.358 -2.630 3.483 1.00 0.00 C ATOM 0 H TRP A 90 3.402 -6.263 7.607 1.00 0.00 H new ATOM 0 HA TRP A 90 3.293 -3.834 6.298 1.00 0.00 H new ATOM 0 HB2 TRP A 90 3.076 -6.723 5.469 1.00 0.00 H new ATOM 0 HB3 TRP A 90 2.795 -5.479 4.267 1.00 0.00 H new ATOM 0 HD1 TRP A 90 5.558 -7.411 5.802 1.00 0.00 H new ATOM 0 HE1 TRP A 90 7.870 -6.438 5.173 1.00 0.00 H new ATOM 0 HE3 TRP A 90 3.993 -2.933 3.900 1.00 0.00 H new ATOM 0 HZ2 TRP A 90 8.848 -4.067 4.015 1.00 0.00 H new ATOM 0 HZ3 TRP A 90 5.682 -1.358 3.048 1.00 0.00 H new ATOM 0 HH2 TRP A 90 8.077 -1.922 3.099 1.00 0.00 H new ATOM 1462 N ILE A 91 0.435 -5.487 6.003 1.00 0.00 N ATOM 1463 CA ILE A 91 -0.988 -5.319 5.736 1.00 0.00 C ATOM 1464 C ILE A 91 -1.595 -4.254 6.643 1.00 0.00 C ATOM 1465 O ILE A 91 -2.063 -3.217 6.173 1.00 0.00 O ATOM 1466 CB ILE A 91 -1.757 -6.639 5.927 1.00 0.00 C ATOM 1467 CG1 ILE A 91 -1.210 -7.714 4.985 1.00 0.00 C ATOM 1468 CG2 ILE A 91 -3.244 -6.425 5.688 1.00 0.00 C ATOM 1469 CD1 ILE A 91 -1.951 -9.030 5.074 1.00 0.00 C ATOM 0 H ILE A 91 0.719 -6.449 6.188 1.00 0.00 H new ATOM 0 HA ILE A 91 -1.079 -5.003 4.697 1.00 0.00 H new ATOM 0 HB ILE A 91 -1.619 -6.978 6.954 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -1.260 -7.347 3.960 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -0.157 -7.883 5.212 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.774 -7.367 5.827 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -3.624 -5.687 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -3.401 -6.067 4.671 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -1.509 -9.744 4.379 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -1.879 -9.420 6.089 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -2.999 -8.875 4.818 1.00 0.00 H new ATOM 1481 N SER A 92 -1.582 -4.517 7.946 1.00 0.00 N ATOM 1482 CA SER A 92 -2.133 -3.582 8.920 1.00 0.00 C ATOM 1483 C SER A 92 -1.783 -2.144 8.551 1.00 0.00 C ATOM 1484 O SER A 92 -2.665 -1.296 8.411 1.00 0.00 O ATOM 1485 CB SER A 92 -1.608 -3.904 10.320 1.00 0.00 C ATOM 1486 OG SER A 92 -2.425 -4.866 10.963 1.00 0.00 O ATOM 0 H SER A 92 -1.196 -5.370 8.351 1.00 0.00 H new ATOM 0 HA SER A 92 -3.218 -3.686 8.914 1.00 0.00 H new ATOM 0 HB2 SER A 92 -0.586 -4.278 10.251 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.575 -2.993 10.918 1.00 0.00 H new ATOM 0 HG SER A 92 -2.067 -5.055 11.855 1.00 0.00 H new ATOM 1492 N ILE A 93 -0.491 -1.878 8.394 1.00 0.00 N ATOM 1493 CA ILE A 93 -0.024 -0.543 8.041 1.00 0.00 C ATOM 1494 C ILE A 93 -0.773 -0.002 6.827 1.00 0.00 C ATOM 1495 O ILE A 93 -1.253 1.132 6.835 1.00 0.00 O ATOM 1496 CB ILE A 93 1.487 -0.536 7.742 1.00 0.00 C ATOM 1497 CG1 ILE A 93 2.284 -0.760 9.029 1.00 0.00 C ATOM 1498 CG2 ILE A 93 1.891 0.775 7.084 1.00 0.00 C ATOM 1499 CD1 ILE A 93 3.758 -1.003 8.792 1.00 0.00 C ATOM 0 H ILE A 93 0.251 -2.569 8.506 1.00 0.00 H new ATOM 0 HA ILE A 93 -0.219 0.097 8.901 1.00 0.00 H new ATOM 0 HB ILE A 93 1.710 -1.350 7.052 1.00 0.00 H new ATOM 0 HG12 ILE A 93 2.167 0.110 9.675 1.00 0.00 H new ATOM 0 HG13 ILE A 93 1.865 -1.613 9.563 1.00 0.00 H new ATOM 0 HG21 ILE A 93 2.962 0.764 6.879 1.00 0.00 H new ATOM 0 HG22 ILE A 93 1.344 0.897 6.149 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.658 1.604 7.752 1.00 0.00 H new ATOM 0 HD11 ILE A 93 4.260 -1.154 9.748 1.00 0.00 H new ATOM 0 HD12 ILE A 93 3.885 -1.890 8.171 1.00 0.00 H new ATOM 0 HD13 ILE A 93 4.192 -0.141 8.286 1.00 0.00 H new ATOM 1511 N LEU A 94 -0.871 -0.821 5.786 1.00 0.00 N ATOM 1512 CA LEU A 94 -1.564 -0.426 4.565 1.00 0.00 C ATOM 1513 C LEU A 94 -3.027 -0.103 4.849 1.00 0.00 C ATOM 1514 O LEU A 94 -3.515 0.973 4.501 1.00 0.00 O ATOM 1515 CB LEU A 94 -1.470 -1.539 3.519 1.00 0.00 C ATOM 1516 CG LEU A 94 -0.058 -1.928 3.078 1.00 0.00 C ATOM 1517 CD1 LEU A 94 -0.079 -3.248 2.323 1.00 0.00 C ATOM 1518 CD2 LEU A 94 0.554 -0.830 2.221 1.00 0.00 C ATOM 0 H LEU A 94 -0.479 -1.763 5.763 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.082 0.471 4.177 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -1.962 -2.426 3.917 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.032 -1.230 2.638 1.00 0.00 H new ATOM 0 HG LEU A 94 0.559 -2.053 3.968 1.00 0.00 H new ATOM 0 HD11 LEU A 94 0.934 -3.508 2.017 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -0.475 -4.031 2.970 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -0.711 -3.152 1.440 1.00 0.00 H new ATOM 0 HD21 LEU A 94 1.558 -1.124 1.916 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -0.062 -0.673 1.336 1.00 0.00 H new ATOM 0 HD23 LEU A 94 0.605 0.095 2.796 1.00 0.00 H new ATOM 1530 N LEU A 95 -3.722 -1.039 5.485 1.00 0.00 N ATOM 1531 CA LEU A 95 -5.130 -0.853 5.819 1.00 0.00 C ATOM 1532 C LEU A 95 -5.335 0.429 6.620 1.00 0.00 C ATOM 1533 O LEU A 95 -6.347 1.111 6.470 1.00 0.00 O ATOM 1534 CB LEU A 95 -5.649 -2.053 6.614 1.00 0.00 C ATOM 1535 CG LEU A 95 -5.799 -3.360 5.834 1.00 0.00 C ATOM 1536 CD1 LEU A 95 -6.154 -4.503 6.772 1.00 0.00 C ATOM 1537 CD2 LEU A 95 -6.853 -3.213 4.746 1.00 0.00 C ATOM 0 H LEU A 95 -3.334 -1.935 5.780 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.691 -0.772 4.888 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.974 -2.228 7.451 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.619 -1.792 7.036 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.845 -3.590 5.359 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.257 -5.425 6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -5.365 -4.623 7.514 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -7.095 -4.282 7.275 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.947 -4.152 4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -7.811 -2.960 5.200 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -6.557 -2.422 4.057 1.00 0.00 H new ATOM 1549 N ASN A 96 -4.365 0.750 7.471 1.00 0.00 N ATOM 1550 CA ASN A 96 -4.438 1.951 8.295 1.00 0.00 C ATOM 1551 C ASN A 96 -4.273 3.206 7.443 1.00 0.00 C ATOM 1552 O ASN A 96 -4.946 4.212 7.666 1.00 0.00 O ATOM 1553 CB ASN A 96 -3.363 1.915 9.383 1.00 0.00 C ATOM 1554 CG ASN A 96 -3.606 2.944 10.470 1.00 0.00 C ATOM 1555 OD1 ASN A 96 -4.677 3.546 10.543 1.00 0.00 O ATOM 1556 ND2 ASN A 96 -2.608 3.151 11.322 1.00 0.00 N ATOM 0 H ASN A 96 -3.520 0.195 7.608 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.421 1.979 8.766 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -3.334 0.920 9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -2.387 2.091 8.931 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -2.713 3.832 12.074 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -1.737 2.629 11.224 1.00 0.00 H new ATOM 1563 N ALA A 97 -3.375 3.138 6.467 1.00 0.00 N ATOM 1564 CA ALA A 97 -3.123 4.267 5.580 1.00 0.00 C ATOM 1565 C ALA A 97 -4.258 4.440 4.576 1.00 0.00 C ATOM 1566 O ALA A 97 -4.373 5.480 3.926 1.00 0.00 O ATOM 1567 CB ALA A 97 -1.798 4.083 4.854 1.00 0.00 C ATOM 0 H ALA A 97 -2.809 2.313 6.270 1.00 0.00 H new ATOM 0 HA ALA A 97 -3.069 5.170 6.188 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -1.623 4.934 4.195 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -0.990 4.016 5.583 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -1.831 3.167 4.264 1.00 0.00 H new ATOM 1573 N LEU A 98 -5.094 3.415 4.453 1.00 0.00 N ATOM 1574 CA LEU A 98 -6.221 3.454 3.527 1.00 0.00 C ATOM 1575 C LEU A 98 -7.463 4.024 4.205 1.00 0.00 C ATOM 1576 O LEU A 98 -8.035 5.014 3.746 1.00 0.00 O ATOM 1577 CB LEU A 98 -6.516 2.051 2.994 1.00 0.00 C ATOM 1578 CG LEU A 98 -5.440 1.432 2.102 1.00 0.00 C ATOM 1579 CD1 LEU A 98 -5.457 -0.084 2.218 1.00 0.00 C ATOM 1580 CD2 LEU A 98 -5.635 1.860 0.655 1.00 0.00 C ATOM 0 H LEU A 98 -5.013 2.547 4.982 1.00 0.00 H new ATOM 0 HA LEU A 98 -5.953 4.104 2.694 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -6.680 1.388 3.844 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -7.449 2.086 2.432 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.467 1.791 2.438 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -4.684 -0.507 1.576 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.267 -0.372 3.252 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.432 -0.462 1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -4.860 1.410 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -6.614 1.532 0.307 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -5.571 2.946 0.585 1.00 0.00 H new ATOM 1592 N LYS A 99 -7.875 3.395 5.300 1.00 0.00 N ATOM 1593 CA LYS A 99 -9.047 3.841 6.044 1.00 0.00 C ATOM 1594 C LYS A 99 -9.022 5.353 6.243 1.00 0.00 C ATOM 1595 O LYS A 99 -10.062 6.011 6.203 1.00 0.00 O ATOM 1596 CB LYS A 99 -9.112 3.138 7.402 1.00 0.00 C ATOM 1597 CG LYS A 99 -8.343 3.857 8.497 1.00 0.00 C ATOM 1598 CD LYS A 99 -8.562 3.206 9.852 1.00 0.00 C ATOM 1599 CE LYS A 99 -8.011 4.066 10.979 1.00 0.00 C ATOM 1600 NZ LYS A 99 -8.787 5.325 11.147 1.00 0.00 N ATOM 0 H LYS A 99 -7.414 2.574 5.692 1.00 0.00 H new ATOM 0 HA LYS A 99 -9.934 3.583 5.465 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -10.155 3.045 7.704 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -8.719 2.127 7.297 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -7.279 3.853 8.258 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -8.657 4.900 8.538 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -9.628 3.038 10.008 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -8.080 2.229 9.870 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -8.031 3.500 11.910 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -6.968 4.307 10.775 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -8.579 5.739 12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -8.521 5.999 10.401 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -9.804 5.118 11.079 1.00 0.00 H new ATOM 1614 N SER A 100 -7.829 5.898 6.456 1.00 0.00 N ATOM 1615 CA SER A 100 -7.670 7.333 6.664 1.00 0.00 C ATOM 1616 C SER A 100 -8.171 8.115 5.454 1.00 0.00 C ATOM 1617 O SER A 100 -8.763 9.184 5.596 1.00 0.00 O ATOM 1618 CB SER A 100 -6.202 7.671 6.932 1.00 0.00 C ATOM 1619 OG SER A 100 -5.874 7.475 8.297 1.00 0.00 O ATOM 0 H SER A 100 -6.958 5.368 6.489 1.00 0.00 H new ATOM 0 HA SER A 100 -8.265 7.618 7.531 1.00 0.00 H new ATOM 0 HB2 SER A 100 -5.562 7.047 6.308 1.00 0.00 H new ATOM 0 HB3 SER A 100 -6.007 8.707 6.653 1.00 0.00 H new ATOM 0 HG SER A 100 -4.930 7.696 8.442 1.00 0.00 H new