USER MOD reduce.3.24.130724 H: found=0, std=0, add=776, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 776 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 87 GLN : amide:sc= -0.465 X(o=-0.12,f=-0.58) USER MOD Set 1.2: A 89 TYR OH : rot 2:sc= 0.345 USER MOD Set 2.1: A 79 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 84 GLN : amide:sc= -0.252 K(o=-0.25,f=-1.1!) USER MOD Set 3.1: A 40 CYS SG : rot -84:sc= -3.01! USER MOD Set 3.2: A 59 TYR OH : rot 81:sc= 0.338 USER MOD Single : A 11 THR OG1 : rot 39:sc= 0.0732 USER MOD Single : A 16 GLN : amide:sc= -3.72! K(o=-3.7!,f=-2.5) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0151 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= -0.332 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -1.8 K(o=-1.8,f=-2.8) USER MOD Single : A 35 CYS SG : rot -170:sc= -3.99! USER MOD Single : A 36 MET CE :methyl -133:sc= -6.8! (180deg=-8.66!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 166:sc= -2.01 (180deg=-2.51) USER MOD Single : A 43 TYR OH : rot 54:sc= 0.715 USER MOD Single : A 46 HIS : no HD1:sc= -2.84 K(o=-2.8,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 MET CE :methyl -151:sc= -0.556 (180deg=-2.65!) USER MOD Single : A 51 ASN : amide:sc= -0.836! X(o=-0.84!,f=-0.46) USER MOD Single : A 53 ASN : amide:sc= -0.833 K(o=-0.83,f=-1.9) USER MOD Single : A 54 SER OG : rot -50:sc= -0.895 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.0368 X(o=-0.037,f=-0.34) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 163:sc= -4.69! USER MOD Single : A 83 THR OG1 : rot 180:sc= -0.599 USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.174 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -0.494 K(o=-0.49,f=-3.4!) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0188) USER MOD Single : A 97 LYS NZ :NH3+ -139:sc= 0.591 (180deg=-2.52!) USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 105 GLN : amide:sc= -0.0895 X(o=-0.09,f=-0.43) USER MOD ----------------------------------------------------------------- ATOM 120 N THR A 11 5.358 7.290 3.708 1.00 0.00 N ATOM 121 CA THR A 11 4.033 7.068 3.156 1.00 0.00 C ATOM 122 C THR A 11 2.967 7.246 4.238 1.00 0.00 C ATOM 123 O THR A 11 3.081 6.684 5.326 1.00 0.00 O ATOM 124 CB THR A 11 4.016 5.681 2.509 1.00 0.00 C ATOM 125 OG1 THR A 11 4.829 5.830 1.348 1.00 0.00 O ATOM 126 CG2 THR A 11 2.639 5.309 1.956 1.00 0.00 C ATOM 0 HA THR A 11 3.797 7.804 2.388 1.00 0.00 H new ATOM 0 HB THR A 11 4.326 4.935 3.241 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.592 6.409 1.555 1.00 0.00 H new ATOM 0 HG21 THR A 11 2.683 4.316 1.508 1.00 0.00 H new ATOM 0 HG22 THR A 11 1.909 5.310 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 11 2.342 6.035 1.199 1.00 0.00 H new ATOM 134 N ILE A 12 1.953 8.031 3.902 1.00 0.00 N ATOM 135 CA ILE A 12 0.867 8.291 4.832 1.00 0.00 C ATOM 136 C ILE A 12 -0.347 7.446 4.440 1.00 0.00 C ATOM 137 O ILE A 12 -0.812 7.511 3.303 1.00 0.00 O ATOM 138 CB ILE A 12 0.574 9.790 4.909 1.00 0.00 C ATOM 139 CG1 ILE A 12 1.848 10.583 5.210 1.00 0.00 C ATOM 140 CG2 ILE A 12 -0.535 10.081 5.922 1.00 0.00 C ATOM 141 CD1 ILE A 12 1.730 12.023 4.705 1.00 0.00 C ATOM 0 H ILE A 12 1.861 8.495 2.998 1.00 0.00 H new ATOM 0 HA ILE A 12 1.151 7.994 5.842 1.00 0.00 H new ATOM 0 HB ILE A 12 0.213 10.118 3.934 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.034 10.585 6.284 1.00 0.00 H new ATOM 0 HG13 ILE A 12 2.703 10.098 4.739 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.723 11.154 5.957 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -1.446 9.562 5.623 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.227 9.734 6.908 1.00 0.00 H new ATOM 0 HD11 ILE A 12 2.648 12.564 4.932 1.00 0.00 H new ATOM 0 HD12 ILE A 12 1.568 12.018 3.627 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.889 12.513 5.196 1.00 0.00 H new ATOM 153 N LEU A 13 -0.826 6.673 5.404 1.00 0.00 N ATOM 154 CA LEU A 13 -1.977 5.817 5.174 1.00 0.00 C ATOM 155 C LEU A 13 -3.096 6.203 6.143 1.00 0.00 C ATOM 156 O LEU A 13 -2.891 6.226 7.356 1.00 0.00 O ATOM 157 CB LEU A 13 -1.574 4.344 5.255 1.00 0.00 C ATOM 158 CG LEU A 13 -2.586 3.339 4.699 1.00 0.00 C ATOM 159 CD1 LEU A 13 -3.701 3.068 5.711 1.00 0.00 C ATOM 160 CD2 LEU A 13 -3.137 3.806 3.350 1.00 0.00 C ATOM 0 H LEU A 13 -0.438 6.622 6.346 1.00 0.00 H new ATOM 0 HA LEU A 13 -2.364 5.962 4.165 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.633 4.216 4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.383 4.097 6.299 1.00 0.00 H new ATOM 0 HG LEU A 13 -2.071 2.394 4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -4.407 2.351 5.292 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.271 2.661 6.626 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.221 3.999 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.854 3.074 2.977 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.632 4.769 3.473 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -2.318 3.908 2.638 1.00 0.00 H new ATOM 172 N LEU A 14 -4.255 6.497 5.572 1.00 0.00 N ATOM 173 CA LEU A 14 -5.407 6.880 6.371 1.00 0.00 C ATOM 174 C LEU A 14 -6.615 6.040 5.952 1.00 0.00 C ATOM 175 O LEU A 14 -6.519 5.219 5.041 1.00 0.00 O ATOM 176 CB LEU A 14 -5.644 8.389 6.278 1.00 0.00 C ATOM 177 CG LEU A 14 -4.918 9.114 5.144 1.00 0.00 C ATOM 178 CD1 LEU A 14 -3.403 9.075 5.350 1.00 0.00 C ATOM 179 CD2 LEU A 14 -5.326 8.548 3.782 1.00 0.00 C ATOM 0 H LEU A 14 -4.421 6.478 4.566 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.226 6.673 7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.714 8.562 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.344 8.843 7.223 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.218 10.162 5.161 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.911 9.598 4.530 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.151 9.561 6.293 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.066 8.039 5.374 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.796 9.081 2.993 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.073 7.489 3.738 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.400 8.671 3.644 1.00 0.00 H new ATOM 191 N VAL A 15 -7.725 6.275 6.636 1.00 0.00 N ATOM 192 CA VAL A 15 -8.951 5.551 6.346 1.00 0.00 C ATOM 193 C VAL A 15 -10.152 6.443 6.663 1.00 0.00 C ATOM 194 O VAL A 15 -10.220 7.043 7.734 1.00 0.00 O ATOM 195 CB VAL A 15 -8.970 4.227 7.114 1.00 0.00 C ATOM 196 CG1 VAL A 15 -10.364 3.941 7.677 1.00 0.00 C ATOM 197 CG2 VAL A 15 -8.488 3.074 6.232 1.00 0.00 C ATOM 0 H VAL A 15 -7.801 6.957 7.391 1.00 0.00 H new ATOM 0 HA VAL A 15 -9.005 5.299 5.287 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.281 4.316 7.954 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.351 2.995 8.218 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -10.654 4.743 8.356 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.082 3.881 6.859 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -8.511 2.145 6.802 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -9.140 2.983 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.468 3.271 5.901 1.00 0.00 H new ATOM 207 N GLN A 16 -11.071 6.503 5.710 1.00 0.00 N ATOM 208 CA GLN A 16 -12.267 7.312 5.873 1.00 0.00 C ATOM 209 C GLN A 16 -13.508 6.514 5.468 1.00 0.00 C ATOM 210 O GLN A 16 -13.850 6.447 4.289 1.00 0.00 O ATOM 211 CB GLN A 16 -12.164 8.611 5.071 1.00 0.00 C ATOM 212 CG GLN A 16 -13.404 9.483 5.278 1.00 0.00 C ATOM 213 CD GLN A 16 -13.559 9.875 6.749 1.00 0.00 C ATOM 214 OE1 GLN A 16 -12.895 10.765 7.254 1.00 0.00 O ATOM 215 NE2 GLN A 16 -14.470 9.162 7.406 1.00 0.00 N ATOM 0 H GLN A 16 -11.011 6.004 4.822 1.00 0.00 H new ATOM 0 HA GLN A 16 -12.360 7.580 6.925 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -11.273 9.161 5.375 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -12.050 8.381 4.012 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -13.328 10.381 4.665 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -14.291 8.944 4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -14.991 8.431 6.922 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -14.647 9.347 8.393 1.00 0.00 H new ATOM 224 N PRO A 17 -14.165 5.912 6.496 1.00 0.00 N ATOM 225 CA PRO A 17 -15.360 5.121 6.259 1.00 0.00 C ATOM 226 C PRO A 17 -16.564 6.020 5.970 1.00 0.00 C ATOM 227 O PRO A 17 -17.275 5.814 4.987 1.00 0.00 O ATOM 228 CB PRO A 17 -15.533 4.283 7.515 1.00 0.00 C ATOM 229 CG PRO A 17 -14.705 4.968 8.590 1.00 0.00 C ATOM 230 CD PRO A 17 -13.789 5.969 7.905 1.00 0.00 C ATOM 0 HA PRO A 17 -15.274 4.483 5.379 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -16.582 4.227 7.806 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -15.193 3.260 7.352 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -15.353 5.472 9.308 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -14.121 4.235 9.147 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -13.924 6.972 8.311 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -12.740 5.707 8.046 1.00 0.00 H new ATOM 238 N THR A 18 -16.756 6.997 6.843 1.00 0.00 N ATOM 239 CA THR A 18 -17.862 7.928 6.694 1.00 0.00 C ATOM 240 C THR A 18 -17.342 9.320 6.333 1.00 0.00 C ATOM 241 O THR A 18 -16.293 9.451 5.703 1.00 0.00 O ATOM 242 CB THR A 18 -18.680 7.901 7.987 1.00 0.00 C ATOM 243 OG1 THR A 18 -17.816 8.488 8.956 1.00 0.00 O ATOM 244 CG2 THR A 18 -18.911 6.480 8.504 1.00 0.00 C ATOM 0 H THR A 18 -16.164 7.165 7.657 1.00 0.00 H new ATOM 0 HA THR A 18 -18.516 7.637 5.872 1.00 0.00 H new ATOM 0 HB THR A 18 -19.642 8.386 7.819 1.00 0.00 H new ATOM 0 HG1 THR A 18 -18.268 8.512 9.825 1.00 0.00 H new ATOM 0 HG21 THR A 18 -19.496 6.518 9.423 1.00 0.00 H new ATOM 0 HG22 THR A 18 -19.451 5.903 7.753 1.00 0.00 H new ATOM 0 HG23 THR A 18 -17.951 6.005 8.705 1.00 0.00 H new ATOM 252 N LYS A 19 -18.099 10.326 6.747 1.00 0.00 N ATOM 253 CA LYS A 19 -17.727 11.704 6.475 1.00 0.00 C ATOM 254 C LYS A 19 -17.295 12.378 7.779 1.00 0.00 C ATOM 255 O LYS A 19 -16.443 13.266 7.770 1.00 0.00 O ATOM 256 CB LYS A 19 -18.863 12.432 5.753 1.00 0.00 C ATOM 257 CG LYS A 19 -18.558 13.926 5.620 1.00 0.00 C ATOM 258 CD LYS A 19 -18.444 14.333 4.150 1.00 0.00 C ATOM 259 CE LYS A 19 -17.010 14.162 3.643 1.00 0.00 C ATOM 260 NZ LYS A 19 -16.875 14.710 2.275 1.00 0.00 N ATOM 0 H LYS A 19 -18.968 10.214 7.269 1.00 0.00 H new ATOM 0 HA LYS A 19 -16.873 11.742 5.798 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.008 11.997 4.764 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -19.795 12.295 6.302 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.345 14.506 6.102 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -17.628 14.159 6.139 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -19.121 13.727 3.548 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -18.754 15.371 4.031 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -16.318 14.670 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -16.740 13.106 3.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -15.896 14.586 1.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -17.522 14.207 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -17.112 15.723 2.282 1.00 0.00 H new ATOM 274 N ARG A 20 -17.901 11.930 8.868 1.00 0.00 N ATOM 275 CA ARG A 20 -17.589 12.479 10.177 1.00 0.00 C ATOM 276 C ARG A 20 -16.097 12.322 10.477 1.00 0.00 C ATOM 277 O ARG A 20 -15.450 11.411 9.964 1.00 0.00 O ATOM 278 CB ARG A 20 -18.399 11.783 11.273 1.00 0.00 C ATOM 279 CG ARG A 20 -19.892 12.082 11.127 1.00 0.00 C ATOM 280 CD ARG A 20 -20.222 13.486 11.638 1.00 0.00 C ATOM 281 NE ARG A 20 -21.378 14.036 10.895 1.00 0.00 N ATOM 282 CZ ARG A 20 -22.658 13.794 11.211 1.00 0.00 C ATOM 283 NH1 ARG A 20 -22.953 13.010 12.256 1.00 0.00 N ATOM 284 NH2 ARG A 20 -23.642 14.336 10.481 1.00 0.00 N ATOM 0 H ARG A 20 -18.606 11.193 8.871 1.00 0.00 H new ATOM 0 HA ARG A 20 -17.851 13.537 10.164 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -18.234 10.707 11.224 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -18.052 12.114 12.252 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -20.184 11.994 10.080 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -20.471 11.344 11.682 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -20.448 13.450 12.704 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -19.357 14.139 11.517 1.00 0.00 H new ATOM 0 HE ARG A 20 -21.189 14.637 10.093 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -22.204 12.597 12.811 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -23.927 12.826 12.497 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -23.417 14.933 9.685 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -24.616 14.152 10.721 1.00 0.00 H new ATOM 298 N PRO A 21 -15.581 13.249 11.328 1.00 0.00 N ATOM 299 CA PRO A 21 -14.178 13.223 11.702 1.00 0.00 C ATOM 300 C PRO A 21 -13.898 12.099 12.701 1.00 0.00 C ATOM 301 O PRO A 21 -12.745 11.841 13.044 1.00 0.00 O ATOM 302 CB PRO A 21 -13.895 14.605 12.267 1.00 0.00 C ATOM 303 CG PRO A 21 -15.250 15.196 12.619 1.00 0.00 C ATOM 304 CD PRO A 21 -16.318 14.343 11.954 1.00 0.00 C ATOM 0 HA PRO A 21 -13.522 13.011 10.858 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -13.255 14.544 13.147 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -13.375 15.226 11.538 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -15.391 15.210 13.700 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -15.317 16.228 12.275 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -17.038 13.970 12.683 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -16.880 14.916 11.216 1.00 0.00 H new ATOM 312 N GLU A 22 -14.972 11.460 13.141 1.00 0.00 N ATOM 313 CA GLU A 22 -14.856 10.370 14.094 1.00 0.00 C ATOM 314 C GLU A 22 -13.942 9.275 13.541 1.00 0.00 C ATOM 315 O GLU A 22 -13.460 8.426 14.289 1.00 0.00 O ATOM 316 CB GLU A 22 -16.233 9.805 14.451 1.00 0.00 C ATOM 317 CG GLU A 22 -17.045 10.815 15.265 1.00 0.00 C ATOM 318 CD GLU A 22 -17.328 10.285 16.672 1.00 0.00 C ATOM 319 OE1 GLU A 22 -18.223 9.420 16.783 1.00 0.00 O ATOM 320 OE2 GLU A 22 -16.643 10.757 17.604 1.00 0.00 O ATOM 0 H GLU A 22 -15.927 11.677 12.855 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.410 10.760 15.009 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -16.773 9.549 13.539 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -16.115 8.883 15.021 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -16.500 11.757 15.330 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -17.986 11.025 14.756 1.00 0.00 H new ATOM 327 N GLY A 23 -13.730 9.330 12.234 1.00 0.00 N ATOM 328 CA GLY A 23 -12.882 8.354 11.572 1.00 0.00 C ATOM 329 C GLY A 23 -11.712 9.037 10.861 1.00 0.00 C ATOM 330 O GLY A 23 -11.587 8.951 9.640 1.00 0.00 O ATOM 0 H GLY A 23 -14.131 10.035 11.616 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -12.502 7.642 12.304 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.470 7.786 10.850 1.00 0.00 H new ATOM 334 N ARG A 24 -10.884 9.700 11.655 1.00 0.00 N ATOM 335 CA ARG A 24 -9.728 10.397 11.118 1.00 0.00 C ATOM 336 C ARG A 24 -8.438 9.802 11.685 1.00 0.00 C ATOM 337 O ARG A 24 -7.806 10.397 12.556 1.00 0.00 O ATOM 338 CB ARG A 24 -9.782 11.890 11.449 1.00 0.00 C ATOM 339 CG ARG A 24 -10.990 12.555 10.786 1.00 0.00 C ATOM 340 CD ARG A 24 -10.811 12.628 9.268 1.00 0.00 C ATOM 341 NE ARG A 24 -11.222 13.960 8.773 1.00 0.00 N ATOM 342 CZ ARG A 24 -10.810 14.491 7.614 1.00 0.00 C ATOM 343 NH1 ARG A 24 -9.973 13.806 6.823 1.00 0.00 N ATOM 344 NH2 ARG A 24 -11.235 15.707 7.245 1.00 0.00 N ATOM 0 H ARG A 24 -10.991 9.769 12.667 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.742 10.276 10.035 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -9.835 12.025 12.529 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -8.865 12.374 11.112 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.894 11.994 11.023 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.124 13.559 11.189 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -9.770 12.439 9.007 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -11.406 11.852 8.786 1.00 0.00 H new ATOM 0 HE ARG A 24 -11.859 14.509 9.350 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -9.649 12.880 7.103 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.659 14.210 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -11.872 16.229 7.847 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.921 16.111 6.363 1.00 0.00 H new ATOM 358 N THR A 25 -8.085 8.634 11.168 1.00 0.00 N ATOM 359 CA THR A 25 -6.882 7.952 11.612 1.00 0.00 C ATOM 360 C THR A 25 -5.885 7.823 10.459 1.00 0.00 C ATOM 361 O THR A 25 -6.278 7.575 9.319 1.00 0.00 O ATOM 362 CB THR A 25 -7.295 6.606 12.212 1.00 0.00 C ATOM 363 OG1 THR A 25 -6.061 5.996 12.579 1.00 0.00 O ATOM 364 CG2 THR A 25 -7.884 5.656 11.167 1.00 0.00 C ATOM 0 H THR A 25 -8.612 8.143 10.446 1.00 0.00 H new ATOM 0 HA THR A 25 -6.366 8.523 12.384 1.00 0.00 H new ATOM 0 HB THR A 25 -8.024 6.771 13.005 1.00 0.00 H new ATOM 0 HG1 THR A 25 -6.236 5.118 12.978 1.00 0.00 H new ATOM 0 HG21 THR A 25 -8.161 4.716 11.645 1.00 0.00 H new ATOM 0 HG22 THR A 25 -8.768 6.110 10.720 1.00 0.00 H new ATOM 0 HG23 THR A 25 -7.143 5.464 10.391 1.00 0.00 H new ATOM 372 N TYR A 26 -4.615 7.995 10.794 1.00 0.00 N ATOM 373 CA TYR A 26 -3.559 7.901 9.800 1.00 0.00 C ATOM 374 C TYR A 26 -2.358 7.127 10.347 1.00 0.00 C ATOM 375 O TYR A 26 -2.276 6.869 11.547 1.00 0.00 O ATOM 376 CB TYR A 26 -3.131 9.339 9.502 1.00 0.00 C ATOM 377 CG TYR A 26 -4.297 10.320 9.365 1.00 0.00 C ATOM 378 CD1 TYR A 26 -5.050 10.656 10.473 1.00 0.00 C ATOM 379 CD2 TYR A 26 -4.597 10.870 8.135 1.00 0.00 C ATOM 380 CE1 TYR A 26 -6.148 11.579 10.344 1.00 0.00 C ATOM 381 CE2 TYR A 26 -5.694 11.793 8.007 1.00 0.00 C ATOM 382 CZ TYR A 26 -6.416 12.102 9.118 1.00 0.00 C ATOM 383 OH TYR A 26 -7.452 12.974 8.997 1.00 0.00 O ATOM 0 H TYR A 26 -4.293 8.199 11.740 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.914 7.378 8.912 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.472 9.683 10.299 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.550 9.350 8.580 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.815 10.227 11.436 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.008 10.608 7.268 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -6.745 11.850 11.202 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.939 12.231 7.050 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.526 13.267 8.065 1.00 0.00 H new ATOM 393 N ALA A 27 -1.457 6.778 9.441 1.00 0.00 N ATOM 394 CA ALA A 27 -0.264 6.039 9.818 1.00 0.00 C ATOM 395 C ALA A 27 0.941 6.604 9.063 1.00 0.00 C ATOM 396 O ALA A 27 0.792 7.490 8.223 1.00 0.00 O ATOM 397 CB ALA A 27 -0.478 4.549 9.543 1.00 0.00 C ATOM 0 H ALA A 27 -1.529 6.993 8.447 1.00 0.00 H new ATOM 0 HA ALA A 27 -0.066 6.149 10.884 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.417 3.995 9.826 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.327 4.190 10.125 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.677 4.400 8.482 1.00 0.00 H new ATOM 403 N ASP A 28 2.108 6.068 9.390 1.00 0.00 N ATOM 404 CA ASP A 28 3.337 6.508 8.753 1.00 0.00 C ATOM 405 C ASP A 28 4.256 5.303 8.542 1.00 0.00 C ATOM 406 O ASP A 28 4.594 4.601 9.494 1.00 0.00 O ATOM 407 CB ASP A 28 4.079 7.521 9.628 1.00 0.00 C ATOM 408 CG ASP A 28 3.187 8.551 10.323 1.00 0.00 C ATOM 409 OD1 ASP A 28 2.677 9.437 9.604 1.00 0.00 O ATOM 410 OD2 ASP A 28 3.034 8.429 11.558 1.00 0.00 O ATOM 0 H ASP A 28 2.228 5.333 10.087 1.00 0.00 H new ATOM 0 HA ASP A 28 3.076 6.975 7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.642 6.979 10.388 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.805 8.049 9.010 1.00 0.00 H new ATOM 415 N TYR A 29 4.635 5.100 7.289 1.00 0.00 N ATOM 416 CA TYR A 29 5.508 3.993 6.941 1.00 0.00 C ATOM 417 C TYR A 29 6.714 4.477 6.133 1.00 0.00 C ATOM 418 O TYR A 29 6.825 5.664 5.828 1.00 0.00 O ATOM 419 CB TYR A 29 4.671 3.053 6.071 1.00 0.00 C ATOM 420 CG TYR A 29 3.610 2.268 6.845 1.00 0.00 C ATOM 421 CD1 TYR A 29 2.349 2.801 7.020 1.00 0.00 C ATOM 422 CD2 TYR A 29 3.914 1.028 7.368 1.00 0.00 C ATOM 423 CE1 TYR A 29 1.350 2.063 7.749 1.00 0.00 C ATOM 424 CE2 TYR A 29 2.915 0.290 8.097 1.00 0.00 C ATOM 425 CZ TYR A 29 1.683 0.843 8.251 1.00 0.00 C ATOM 426 OH TYR A 29 0.739 0.146 8.939 1.00 0.00 O ATOM 0 H TYR A 29 4.353 5.684 6.502 1.00 0.00 H new ATOM 0 HA TYR A 29 5.886 3.506 7.840 1.00 0.00 H new ATOM 0 HB2 TYR A 29 4.180 3.636 5.292 1.00 0.00 H new ATOM 0 HB3 TYR A 29 5.336 2.349 5.571 1.00 0.00 H new ATOM 0 HD1 TYR A 29 2.111 3.772 6.610 1.00 0.00 H new ATOM 0 HD2 TYR A 29 4.901 0.611 7.231 1.00 0.00 H new ATOM 0 HE1 TYR A 29 0.360 2.469 7.894 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.140 -0.681 8.512 1.00 0.00 H new ATOM 0 HH TYR A 29 1.116 -0.708 9.238 1.00 0.00 H new ATOM 436 N GLU A 30 7.587 3.535 5.809 1.00 0.00 N ATOM 437 CA GLU A 30 8.780 3.851 5.043 1.00 0.00 C ATOM 438 C GLU A 30 8.655 3.308 3.618 1.00 0.00 C ATOM 439 O GLU A 30 9.086 3.953 2.664 1.00 0.00 O ATOM 440 CB GLU A 30 10.033 3.306 5.730 1.00 0.00 C ATOM 441 CG GLU A 30 9.823 1.861 6.187 1.00 0.00 C ATOM 442 CD GLU A 30 11.126 1.259 6.720 1.00 0.00 C ATOM 443 OE1 GLU A 30 12.188 1.646 6.187 1.00 0.00 O ATOM 444 OE2 GLU A 30 11.029 0.427 7.647 1.00 0.00 O ATOM 0 H GLU A 30 7.492 2.552 6.063 1.00 0.00 H new ATOM 0 HA GLU A 30 8.878 4.935 4.990 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.879 3.355 5.044 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.282 3.930 6.588 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.059 1.829 6.964 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.456 1.262 5.354 1.00 0.00 H new ATOM 451 N SER A 31 8.064 2.126 3.519 1.00 0.00 N ATOM 452 CA SER A 31 7.877 1.489 2.227 1.00 0.00 C ATOM 453 C SER A 31 6.424 1.645 1.771 1.00 0.00 C ATOM 454 O SER A 31 5.569 2.070 2.547 1.00 0.00 O ATOM 455 CB SER A 31 8.259 0.008 2.283 1.00 0.00 C ATOM 456 OG SER A 31 9.436 -0.268 1.528 1.00 0.00 O ATOM 0 H SER A 31 7.709 1.593 4.313 1.00 0.00 H new ATOM 0 HA SER A 31 8.532 1.979 1.506 1.00 0.00 H new ATOM 0 HB2 SER A 31 8.416 -0.287 3.320 1.00 0.00 H new ATOM 0 HB3 SER A 31 7.434 -0.594 1.902 1.00 0.00 H new ATOM 0 HG SER A 31 9.648 -1.223 1.590 1.00 0.00 H new ATOM 462 N VAL A 32 6.190 1.293 0.516 1.00 0.00 N ATOM 463 CA VAL A 32 4.856 1.389 -0.052 1.00 0.00 C ATOM 464 C VAL A 32 4.081 0.107 0.259 1.00 0.00 C ATOM 465 O VAL A 32 2.970 0.161 0.784 1.00 0.00 O ATOM 466 CB VAL A 32 4.946 1.685 -1.551 1.00 0.00 C ATOM 467 CG1 VAL A 32 3.656 1.280 -2.267 1.00 0.00 C ATOM 468 CG2 VAL A 32 5.273 3.158 -1.800 1.00 0.00 C ATOM 0 H VAL A 32 6.902 0.941 -0.124 1.00 0.00 H new ATOM 0 HA VAL A 32 4.308 2.217 0.397 1.00 0.00 H new ATOM 0 HB VAL A 32 5.759 1.088 -1.963 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.746 1.501 -3.331 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.484 0.212 -2.131 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.818 1.838 -1.850 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.331 3.341 -2.873 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.492 3.782 -1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 32 6.230 3.401 -1.338 1.00 0.00 H new ATOM 478 N ASN A 33 4.697 -1.016 -0.079 1.00 0.00 N ATOM 479 CA ASN A 33 4.079 -2.309 0.158 1.00 0.00 C ATOM 480 C ASN A 33 3.559 -2.366 1.596 1.00 0.00 C ATOM 481 O ASN A 33 2.529 -2.983 1.863 1.00 0.00 O ATOM 482 CB ASN A 33 5.088 -3.445 -0.025 1.00 0.00 C ATOM 483 CG ASN A 33 6.106 -3.462 1.117 1.00 0.00 C ATOM 484 OD1 ASN A 33 7.105 -2.761 1.104 1.00 0.00 O ATOM 485 ND2 ASN A 33 5.799 -4.300 2.103 1.00 0.00 N ATOM 0 H ASN A 33 5.618 -1.057 -0.515 1.00 0.00 H new ATOM 0 HA ASN A 33 3.267 -2.430 -0.559 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.563 -4.400 -0.064 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.606 -3.327 -0.977 1.00 0.00 H new ATOM 0 HD21 ASN A 33 6.416 -4.385 2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 33 4.947 -4.858 2.051 1.00 0.00 H new ATOM 492 N GLU A 34 4.295 -1.714 2.483 1.00 0.00 N ATOM 493 CA GLU A 34 3.922 -1.682 3.887 1.00 0.00 C ATOM 494 C GLU A 34 2.679 -0.812 4.086 1.00 0.00 C ATOM 495 O GLU A 34 1.791 -1.160 4.862 1.00 0.00 O ATOM 496 CB GLU A 34 5.082 -1.187 4.752 1.00 0.00 C ATOM 497 CG GLU A 34 6.364 -1.965 4.448 1.00 0.00 C ATOM 498 CD GLU A 34 6.353 -3.331 5.137 1.00 0.00 C ATOM 499 OE1 GLU A 34 5.521 -3.497 6.054 1.00 0.00 O ATOM 500 OE2 GLU A 34 7.178 -4.178 4.731 1.00 0.00 O ATOM 0 H GLU A 34 5.148 -1.203 2.257 1.00 0.00 H new ATOM 0 HA GLU A 34 3.685 -2.698 4.203 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.246 -0.124 4.573 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.827 -1.297 5.806 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.466 -2.098 3.371 1.00 0.00 H new ATOM 0 HG3 GLU A 34 7.229 -1.392 4.782 1.00 0.00 H new ATOM 507 N CYS A 35 2.656 0.303 3.371 1.00 0.00 N ATOM 508 CA CYS A 35 1.537 1.226 3.459 1.00 0.00 C ATOM 509 C CYS A 35 0.248 0.443 3.206 1.00 0.00 C ATOM 510 O CYS A 35 -0.736 0.610 3.926 1.00 0.00 O ATOM 511 CB CYS A 35 1.693 2.398 2.488 1.00 0.00 C ATOM 512 SG CYS A 35 0.109 3.302 2.339 1.00 0.00 S ATOM 0 H CYS A 35 3.395 0.588 2.728 1.00 0.00 H new ATOM 0 HA CYS A 35 1.503 1.667 4.455 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.474 3.072 2.841 1.00 0.00 H new ATOM 0 HB3 CYS A 35 2.006 2.032 1.510 1.00 0.00 H new ATOM 0 HG CYS A 35 0.188 4.158 1.364 1.00 0.00 H new ATOM 518 N MET A 36 0.293 -0.396 2.182 1.00 0.00 N ATOM 519 CA MET A 36 -0.859 -1.205 1.825 1.00 0.00 C ATOM 520 C MET A 36 -1.232 -2.159 2.962 1.00 0.00 C ATOM 521 O MET A 36 -2.409 -2.321 3.280 1.00 0.00 O ATOM 522 CB MET A 36 -0.546 -2.012 0.563 1.00 0.00 C ATOM 523 CG MET A 36 -0.647 -1.136 -0.687 1.00 0.00 C ATOM 524 SD MET A 36 0.941 -0.407 -1.053 1.00 0.00 S ATOM 525 CE MET A 36 0.437 1.264 -1.424 1.00 0.00 C ATOM 0 H MET A 36 1.110 -0.533 1.588 1.00 0.00 H new ATOM 0 HA MET A 36 -1.703 -0.540 1.641 1.00 0.00 H new ATOM 0 HB2 MET A 36 0.457 -2.434 0.636 1.00 0.00 H new ATOM 0 HB3 MET A 36 -1.239 -2.850 0.481 1.00 0.00 H new ATOM 0 HG2 MET A 36 -0.986 -1.734 -1.533 1.00 0.00 H new ATOM 0 HG3 MET A 36 -1.389 -0.353 -0.533 1.00 0.00 H new ATOM 0 HE1 MET A 36 0.920 1.594 -2.344 1.00 0.00 H new ATOM 0 HE2 MET A 36 -0.645 1.298 -1.550 1.00 0.00 H new ATOM 0 HE3 MET A 36 0.728 1.922 -0.605 1.00 0.00 H new ATOM 535 N GLU A 37 -0.207 -2.766 3.543 1.00 0.00 N ATOM 536 CA GLU A 37 -0.413 -3.699 4.637 1.00 0.00 C ATOM 537 C GLU A 37 -1.542 -3.210 5.547 1.00 0.00 C ATOM 538 O GLU A 37 -2.510 -3.932 5.783 1.00 0.00 O ATOM 539 CB GLU A 37 0.879 -3.907 5.430 1.00 0.00 C ATOM 540 CG GLU A 37 1.251 -5.390 5.493 1.00 0.00 C ATOM 541 CD GLU A 37 2.146 -5.680 6.699 1.00 0.00 C ATOM 542 OE1 GLU A 37 2.791 -4.719 7.172 1.00 0.00 O ATOM 543 OE2 GLU A 37 2.164 -6.856 7.122 1.00 0.00 O ATOM 0 H GLU A 37 0.768 -2.630 3.276 1.00 0.00 H new ATOM 0 HA GLU A 37 -0.703 -4.662 4.217 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.689 -3.345 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.757 -3.516 6.440 1.00 0.00 H new ATOM 0 HG2 GLU A 37 0.345 -5.993 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 37 1.765 -5.679 4.576 1.00 0.00 H new ATOM 550 N GLY A 38 -1.380 -1.988 6.033 1.00 0.00 N ATOM 551 CA GLY A 38 -2.373 -1.395 6.911 1.00 0.00 C ATOM 552 C GLY A 38 -3.779 -1.537 6.325 1.00 0.00 C ATOM 553 O GLY A 38 -4.729 -1.841 7.045 1.00 0.00 O ATOM 0 H GLY A 38 -0.576 -1.393 5.835 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.332 -1.876 7.888 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -2.144 -0.340 7.065 1.00 0.00 H new ATOM 557 N VAL A 39 -3.868 -1.311 5.022 1.00 0.00 N ATOM 558 CA VAL A 39 -5.142 -1.411 4.330 1.00 0.00 C ATOM 559 C VAL A 39 -5.640 -2.856 4.394 1.00 0.00 C ATOM 560 O VAL A 39 -6.616 -3.149 5.083 1.00 0.00 O ATOM 561 CB VAL A 39 -5.002 -0.889 2.899 1.00 0.00 C ATOM 562 CG1 VAL A 39 -6.274 -1.155 2.091 1.00 0.00 C ATOM 563 CG2 VAL A 39 -4.648 0.599 2.889 1.00 0.00 C ATOM 0 H VAL A 39 -3.078 -1.059 4.427 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.892 -0.787 4.817 1.00 0.00 H new ATOM 0 HB VAL A 39 -4.184 -1.431 2.424 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.148 -0.774 1.078 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -6.464 -2.228 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -7.118 -0.653 2.565 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.555 0.944 1.859 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -5.434 1.163 3.391 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.703 0.752 3.410 1.00 0.00 H new ATOM 573 N CYS A 40 -4.948 -3.720 3.666 1.00 0.00 N ATOM 574 CA CYS A 40 -5.309 -5.127 3.631 1.00 0.00 C ATOM 575 C CYS A 40 -5.747 -5.545 5.036 1.00 0.00 C ATOM 576 O CYS A 40 -6.823 -6.114 5.212 1.00 0.00 O ATOM 577 CB CYS A 40 -4.160 -5.993 3.110 1.00 0.00 C ATOM 578 SG CYS A 40 -4.819 -7.347 2.070 1.00 0.00 S ATOM 0 H CYS A 40 -4.139 -3.473 3.096 1.00 0.00 H new ATOM 0 HA CYS A 40 -6.134 -5.276 2.934 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -3.467 -5.383 2.531 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -3.597 -6.407 3.947 1.00 0.00 H new ATOM 0 HG CYS A 40 -5.188 -8.336 2.828 1.00 0.00 H new ATOM 584 N LYS A 41 -4.889 -5.249 6.002 1.00 0.00 N ATOM 585 CA LYS A 41 -5.174 -5.587 7.386 1.00 0.00 C ATOM 586 C LYS A 41 -6.668 -5.402 7.655 1.00 0.00 C ATOM 587 O LYS A 41 -7.318 -6.289 8.207 1.00 0.00 O ATOM 588 CB LYS A 41 -4.275 -4.784 8.329 1.00 0.00 C ATOM 589 CG LYS A 41 -2.820 -5.246 8.226 1.00 0.00 C ATOM 590 CD LYS A 41 -2.540 -6.396 9.196 1.00 0.00 C ATOM 591 CE LYS A 41 -1.052 -6.750 9.211 1.00 0.00 C ATOM 592 NZ LYS A 41 -0.377 -6.103 10.359 1.00 0.00 N ATOM 0 H LYS A 41 -3.996 -4.779 5.853 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.943 -6.635 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -4.342 -3.724 8.085 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.625 -4.898 9.355 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.608 -5.566 7.206 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -2.153 -4.411 8.444 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -2.861 -6.117 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -3.123 -7.271 8.907 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.930 -7.831 9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -0.586 -6.429 8.279 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.632 -6.354 10.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -0.478 -5.071 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -0.811 -6.430 11.246 1.00 0.00 H new ATOM 606 N MET A 42 -7.171 -4.245 7.251 1.00 0.00 N ATOM 607 CA MET A 42 -8.577 -3.932 7.441 1.00 0.00 C ATOM 608 C MET A 42 -9.440 -5.189 7.311 1.00 0.00 C ATOM 609 O MET A 42 -9.989 -5.674 8.299 1.00 0.00 O ATOM 610 CB MET A 42 -9.017 -2.901 6.400 1.00 0.00 C ATOM 611 CG MET A 42 -8.389 -1.534 6.683 1.00 0.00 C ATOM 612 SD MET A 42 -9.417 -0.239 6.010 1.00 0.00 S ATOM 613 CE MET A 42 -8.617 0.003 4.432 1.00 0.00 C ATOM 0 H MET A 42 -6.629 -3.512 6.792 1.00 0.00 H new ATOM 0 HA MET A 42 -8.707 -3.526 8.444 1.00 0.00 H new ATOM 0 HB2 MET A 42 -8.729 -3.238 5.404 1.00 0.00 H new ATOM 0 HB3 MET A 42 -10.104 -2.814 6.405 1.00 0.00 H new ATOM 0 HG2 MET A 42 -8.271 -1.394 7.758 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.393 -1.484 6.244 1.00 0.00 H new ATOM 0 HE1 MET A 42 -9.265 0.592 3.782 1.00 0.00 H new ATOM 0 HE2 MET A 42 -7.674 0.530 4.579 1.00 0.00 H new ATOM 0 HE3 MET A 42 -8.423 -0.965 3.970 1.00 0.00 H new ATOM 623 N TYR A 43 -9.534 -5.680 6.084 1.00 0.00 N ATOM 624 CA TYR A 43 -10.321 -6.870 5.812 1.00 0.00 C ATOM 625 C TYR A 43 -9.843 -8.049 6.663 1.00 0.00 C ATOM 626 O TYR A 43 -10.645 -8.709 7.321 1.00 0.00 O ATOM 627 CB TYR A 43 -10.094 -7.198 4.335 1.00 0.00 C ATOM 628 CG TYR A 43 -11.228 -8.000 3.694 1.00 0.00 C ATOM 629 CD1 TYR A 43 -12.493 -7.457 3.606 1.00 0.00 C ATOM 630 CD2 TYR A 43 -10.985 -9.268 3.205 1.00 0.00 C ATOM 631 CE1 TYR A 43 -13.561 -8.212 3.003 1.00 0.00 C ATOM 632 CE2 TYR A 43 -12.053 -10.023 2.601 1.00 0.00 C ATOM 633 CZ TYR A 43 -13.288 -9.458 2.530 1.00 0.00 C ATOM 634 OH TYR A 43 -14.296 -10.172 1.961 1.00 0.00 O ATOM 0 H TYR A 43 -9.078 -5.275 5.267 1.00 0.00 H new ATOM 0 HA TYR A 43 -11.372 -6.697 6.045 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -9.964 -6.267 3.783 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -9.165 -7.760 4.237 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -12.683 -6.465 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -9.995 -9.694 3.275 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -14.556 -7.798 2.928 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -11.877 -11.015 2.213 1.00 0.00 H new ATOM 0 HH TYR A 43 -14.715 -9.639 1.253 1.00 0.00 H new ATOM 644 N GLU A 44 -8.539 -8.278 6.621 1.00 0.00 N ATOM 645 CA GLU A 44 -7.945 -9.365 7.380 1.00 0.00 C ATOM 646 C GLU A 44 -8.648 -9.516 8.731 1.00 0.00 C ATOM 647 O GLU A 44 -9.336 -10.507 8.969 1.00 0.00 O ATOM 648 CB GLU A 44 -6.442 -9.148 7.565 1.00 0.00 C ATOM 649 CG GLU A 44 -5.666 -9.599 6.326 1.00 0.00 C ATOM 650 CD GLU A 44 -5.881 -8.630 5.162 1.00 0.00 C ATOM 651 OE1 GLU A 44 -7.031 -8.570 4.678 1.00 0.00 O ATOM 652 OE2 GLU A 44 -4.889 -7.971 4.782 1.00 0.00 O ATOM 0 H GLU A 44 -7.877 -7.729 6.073 1.00 0.00 H new ATOM 0 HA GLU A 44 -8.078 -10.289 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.244 -8.094 7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -6.096 -9.702 8.437 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.603 -9.661 6.561 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.987 -10.599 6.035 1.00 0.00 H new ATOM 659 N GLU A 45 -8.450 -8.518 9.579 1.00 0.00 N ATOM 660 CA GLU A 45 -9.056 -8.527 10.900 1.00 0.00 C ATOM 661 C GLU A 45 -10.486 -9.066 10.824 1.00 0.00 C ATOM 662 O GLU A 45 -10.774 -10.145 11.339 1.00 0.00 O ATOM 663 CB GLU A 45 -9.029 -7.131 11.525 1.00 0.00 C ATOM 664 CG GLU A 45 -7.646 -6.492 11.379 1.00 0.00 C ATOM 665 CD GLU A 45 -6.540 -7.494 11.714 1.00 0.00 C ATOM 666 OE1 GLU A 45 -6.504 -7.928 12.885 1.00 0.00 O ATOM 667 OE2 GLU A 45 -5.756 -7.803 10.791 1.00 0.00 O ATOM 0 H GLU A 45 -7.879 -7.698 9.377 1.00 0.00 H new ATOM 0 HA GLU A 45 -8.473 -9.188 11.541 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.778 -6.500 11.046 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.294 -7.196 12.580 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.515 -6.128 10.360 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.570 -5.627 12.038 1.00 0.00 H new ATOM 674 N HIS A 46 -11.343 -8.290 10.177 1.00 0.00 N ATOM 675 CA HIS A 46 -12.736 -8.676 10.027 1.00 0.00 C ATOM 676 C HIS A 46 -12.823 -10.172 9.717 1.00 0.00 C ATOM 677 O HIS A 46 -13.783 -10.835 10.108 1.00 0.00 O ATOM 678 CB HIS A 46 -13.429 -7.811 8.972 1.00 0.00 C ATOM 679 CG HIS A 46 -14.494 -8.537 8.186 1.00 0.00 C ATOM 680 ND1 HIS A 46 -15.721 -8.881 8.726 1.00 0.00 N ATOM 681 CD2 HIS A 46 -14.504 -8.978 6.895 1.00 0.00 C ATOM 682 CE1 HIS A 46 -16.429 -9.503 7.795 1.00 0.00 C ATOM 683 NE2 HIS A 46 -15.673 -9.562 6.661 1.00 0.00 N ATOM 0 H HIS A 46 -11.100 -7.396 9.751 1.00 0.00 H new ATOM 0 HA HIS A 46 -13.268 -8.502 10.962 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -13.879 -6.948 9.463 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -12.678 -7.429 8.280 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -13.698 -8.870 6.184 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -17.429 -9.894 7.913 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -15.959 -9.985 5.778 1.00 0.00 H new ATOM 691 N LEU A 47 -11.809 -10.659 9.018 1.00 0.00 N ATOM 692 CA LEU A 47 -11.759 -12.064 8.651 1.00 0.00 C ATOM 693 C LEU A 47 -11.231 -12.877 9.835 1.00 0.00 C ATOM 694 O LEU A 47 -11.800 -13.909 10.187 1.00 0.00 O ATOM 695 CB LEU A 47 -10.951 -12.255 7.366 1.00 0.00 C ATOM 696 CG LEU A 47 -11.764 -12.374 6.075 1.00 0.00 C ATOM 697 CD1 LEU A 47 -12.749 -11.212 5.938 1.00 0.00 C ATOM 698 CD2 LEU A 47 -10.845 -12.494 4.858 1.00 0.00 C ATOM 0 H LEU A 47 -11.015 -10.106 8.696 1.00 0.00 H new ATOM 0 HA LEU A 47 -12.760 -12.435 8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -10.264 -11.415 7.264 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.342 -13.153 7.473 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.353 -13.290 6.125 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -13.314 -11.321 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.436 -11.215 6.785 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -12.200 -10.270 5.920 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -11.448 -12.577 3.954 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.212 -11.609 4.792 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.220 -13.381 4.960 1.00 0.00 H new ATOM 710 N LYS A 48 -10.148 -12.382 10.417 1.00 0.00 N ATOM 711 CA LYS A 48 -9.537 -13.049 11.553 1.00 0.00 C ATOM 712 C LYS A 48 -10.634 -13.633 12.446 1.00 0.00 C ATOM 713 O LYS A 48 -10.715 -14.848 12.621 1.00 0.00 O ATOM 714 CB LYS A 48 -8.589 -12.098 12.287 1.00 0.00 C ATOM 715 CG LYS A 48 -7.286 -12.807 12.665 1.00 0.00 C ATOM 716 CD LYS A 48 -6.070 -11.980 12.243 1.00 0.00 C ATOM 717 CE LYS A 48 -5.624 -12.343 10.825 1.00 0.00 C ATOM 718 NZ LYS A 48 -4.163 -12.161 10.679 1.00 0.00 N ATOM 0 H LYS A 48 -9.678 -11.526 10.122 1.00 0.00 H new ATOM 0 HA LYS A 48 -8.919 -13.882 11.218 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.369 -11.238 11.655 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -9.074 -11.717 13.186 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -7.259 -12.977 13.741 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.248 -13.786 12.187 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.314 -10.919 12.291 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.250 -12.151 12.941 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -5.891 -13.377 10.607 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.148 -11.719 10.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -3.877 -12.412 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.916 -11.168 10.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -3.667 -12.775 11.356 1.00 0.00 H new ATOM 732 N ARG A 49 -11.450 -12.741 12.987 1.00 0.00 N ATOM 733 CA ARG A 49 -12.538 -13.153 13.858 1.00 0.00 C ATOM 734 C ARG A 49 -13.352 -14.268 13.198 1.00 0.00 C ATOM 735 O ARG A 49 -13.737 -15.233 13.857 1.00 0.00 O ATOM 736 CB ARG A 49 -13.463 -11.977 14.178 1.00 0.00 C ATOM 737 CG ARG A 49 -13.703 -11.115 12.937 1.00 0.00 C ATOM 738 CD ARG A 49 -15.193 -11.051 12.593 1.00 0.00 C ATOM 739 NE ARG A 49 -15.717 -9.694 12.864 1.00 0.00 N ATOM 740 CZ ARG A 49 -17.017 -9.406 13.012 1.00 0.00 C ATOM 741 NH1 ARG A 49 -17.934 -10.379 12.916 1.00 0.00 N ATOM 742 NH2 ARG A 49 -17.401 -8.146 13.255 1.00 0.00 N ATOM 0 H ARG A 49 -11.380 -11.734 12.839 1.00 0.00 H new ATOM 0 HA ARG A 49 -12.100 -13.519 14.787 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -14.415 -12.351 14.555 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -13.024 -11.369 14.968 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -13.323 -10.108 13.110 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -13.148 -11.525 12.093 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.344 -11.305 11.544 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -15.742 -11.786 13.181 1.00 0.00 H new ATOM 0 HE ARG A 49 -15.046 -8.930 12.943 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.642 -11.338 12.730 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.924 -10.160 13.029 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.704 -7.405 13.327 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.391 -7.927 13.368 1.00 0.00 H new ATOM 756 N MET A 50 -13.590 -14.099 11.906 1.00 0.00 N ATOM 757 CA MET A 50 -14.351 -15.079 11.151 1.00 0.00 C ATOM 758 C MET A 50 -13.562 -16.380 10.989 1.00 0.00 C ATOM 759 O MET A 50 -14.137 -17.467 11.026 1.00 0.00 O ATOM 760 CB MET A 50 -14.687 -14.511 9.770 1.00 0.00 C ATOM 761 CG MET A 50 -15.715 -13.383 9.877 1.00 0.00 C ATOM 762 SD MET A 50 -17.044 -13.656 8.718 1.00 0.00 S ATOM 763 CE MET A 50 -16.105 -14.127 7.274 1.00 0.00 C ATOM 0 H MET A 50 -13.269 -13.298 11.363 1.00 0.00 H new ATOM 0 HA MET A 50 -15.268 -15.298 11.697 1.00 0.00 H new ATOM 0 HB2 MET A 50 -13.780 -14.137 9.296 1.00 0.00 H new ATOM 0 HB3 MET A 50 -15.077 -15.304 9.132 1.00 0.00 H new ATOM 0 HG2 MET A 50 -16.110 -13.335 10.892 1.00 0.00 H new ATOM 0 HG3 MET A 50 -15.237 -12.424 9.676 1.00 0.00 H new ATOM 0 HE1 MET A 50 -16.653 -13.843 6.375 1.00 0.00 H new ATOM 0 HE2 MET A 50 -15.140 -13.620 7.286 1.00 0.00 H new ATOM 0 HE3 MET A 50 -15.948 -15.206 7.278 1.00 0.00 H new ATOM 773 N ASN A 51 -12.258 -16.226 10.814 1.00 0.00 N ATOM 774 CA ASN A 51 -11.384 -17.375 10.647 1.00 0.00 C ATOM 775 C ASN A 51 -10.301 -17.348 11.728 1.00 0.00 C ATOM 776 O ASN A 51 -9.345 -16.580 11.634 1.00 0.00 O ATOM 777 CB ASN A 51 -10.692 -17.347 9.283 1.00 0.00 C ATOM 778 CG ASN A 51 -11.698 -17.073 8.163 1.00 0.00 C ATOM 779 OD1 ASN A 51 -12.023 -17.933 7.362 1.00 0.00 O ATOM 780 ND2 ASN A 51 -12.171 -15.830 8.153 1.00 0.00 N ATOM 0 H ASN A 51 -11.785 -15.323 10.784 1.00 0.00 H new ATOM 0 HA ASN A 51 -11.993 -18.276 10.724 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.920 -16.578 9.279 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.194 -18.300 9.104 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.848 -15.548 7.445 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.856 -15.159 8.854 1.00 0.00 H new ATOM 787 N PRO A 52 -10.493 -18.218 12.755 1.00 0.00 N ATOM 788 CA PRO A 52 -9.544 -18.301 13.853 1.00 0.00 C ATOM 789 C PRO A 52 -8.272 -19.035 13.423 1.00 0.00 C ATOM 790 O PRO A 52 -7.183 -18.464 13.448 1.00 0.00 O ATOM 791 CB PRO A 52 -10.293 -19.013 14.967 1.00 0.00 C ATOM 792 CG PRO A 52 -11.466 -19.713 14.301 1.00 0.00 C ATOM 793 CD PRO A 52 -11.614 -19.142 12.900 1.00 0.00 C ATOM 0 HA PRO A 52 -9.199 -17.322 14.186 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.648 -19.730 15.475 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -10.638 -18.305 15.720 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -11.295 -20.789 14.259 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -12.379 -19.558 14.875 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -11.579 -19.929 12.146 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -12.568 -18.629 12.781 1.00 0.00 H new ATOM 801 N ASN A 53 -8.452 -20.290 13.039 1.00 0.00 N ATOM 802 CA ASN A 53 -7.333 -21.108 12.604 1.00 0.00 C ATOM 803 C ASN A 53 -6.527 -20.344 11.552 1.00 0.00 C ATOM 804 O ASN A 53 -5.301 -20.443 11.511 1.00 0.00 O ATOM 805 CB ASN A 53 -7.818 -22.414 11.972 1.00 0.00 C ATOM 806 CG ASN A 53 -8.654 -22.140 10.720 1.00 0.00 C ATOM 807 OD1 ASN A 53 -8.141 -21.922 9.635 1.00 0.00 O ATOM 808 ND2 ASN A 53 -9.967 -22.163 10.931 1.00 0.00 N ATOM 0 H ASN A 53 -9.357 -20.761 13.020 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.722 -21.336 13.478 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -6.962 -23.037 11.713 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.412 -22.973 12.695 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.611 -21.992 10.159 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -10.330 -22.352 11.865 1.00 0.00 H new ATOM 815 N SER A 54 -7.247 -19.599 10.727 1.00 0.00 N ATOM 816 CA SER A 54 -6.614 -18.818 9.677 1.00 0.00 C ATOM 817 C SER A 54 -5.299 -18.226 10.187 1.00 0.00 C ATOM 818 O SER A 54 -5.298 -17.197 10.861 1.00 0.00 O ATOM 819 CB SER A 54 -7.541 -17.706 9.183 1.00 0.00 C ATOM 820 OG SER A 54 -8.206 -18.063 7.974 1.00 0.00 O ATOM 0 H SER A 54 -8.263 -19.519 10.764 1.00 0.00 H new ATOM 0 HA SER A 54 -6.405 -19.480 8.836 1.00 0.00 H new ATOM 0 HB2 SER A 54 -8.281 -17.483 9.952 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.963 -16.796 9.024 1.00 0.00 H new ATOM 0 HG SER A 54 -7.550 -18.392 7.324 1.00 0.00 H new ATOM 826 N PRO A 55 -4.182 -18.918 9.836 1.00 0.00 N ATOM 827 CA PRO A 55 -2.863 -18.471 10.251 1.00 0.00 C ATOM 828 C PRO A 55 -2.412 -17.261 9.431 1.00 0.00 C ATOM 829 O PRO A 55 -1.830 -16.322 9.972 1.00 0.00 O ATOM 830 CB PRO A 55 -1.963 -19.682 10.068 1.00 0.00 C ATOM 831 CG PRO A 55 -2.705 -20.616 9.126 1.00 0.00 C ATOM 832 CD PRO A 55 -4.146 -20.141 9.039 1.00 0.00 C ATOM 0 HA PRO A 55 -2.840 -18.127 11.285 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -0.999 -19.392 9.651 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -1.764 -20.168 11.023 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -2.241 -20.611 8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -2.662 -21.641 9.493 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.438 -19.950 8.006 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.834 -20.890 9.431 1.00 0.00 H new ATOM 840 N SER A 56 -2.697 -17.322 8.138 1.00 0.00 N ATOM 841 CA SER A 56 -2.328 -16.243 7.239 1.00 0.00 C ATOM 842 C SER A 56 -3.574 -15.694 6.540 1.00 0.00 C ATOM 843 O SER A 56 -3.481 -14.770 5.734 1.00 0.00 O ATOM 844 CB SER A 56 -1.303 -16.714 6.204 1.00 0.00 C ATOM 845 OG SER A 56 -0.052 -17.041 6.803 1.00 0.00 O ATOM 0 H SER A 56 -3.179 -18.102 7.692 1.00 0.00 H new ATOM 0 HA SER A 56 -1.870 -15.449 7.829 1.00 0.00 H new ATOM 0 HB2 SER A 56 -1.693 -17.586 5.679 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.155 -15.933 5.459 1.00 0.00 H new ATOM 0 HG SER A 56 0.574 -17.339 6.111 1.00 0.00 H new ATOM 851 N ILE A 57 -4.710 -16.287 6.875 1.00 0.00 N ATOM 852 CA ILE A 57 -5.973 -15.870 6.290 1.00 0.00 C ATOM 853 C ILE A 57 -5.978 -16.215 4.799 1.00 0.00 C ATOM 854 O ILE A 57 -4.940 -16.556 4.234 1.00 0.00 O ATOM 855 CB ILE A 57 -6.234 -14.390 6.579 1.00 0.00 C ATOM 856 CG1 ILE A 57 -6.292 -14.129 8.086 1.00 0.00 C ATOM 857 CG2 ILE A 57 -7.498 -13.907 5.865 1.00 0.00 C ATOM 858 CD1 ILE A 57 -7.658 -13.573 8.494 1.00 0.00 C ATOM 0 H ILE A 57 -4.782 -17.053 7.544 1.00 0.00 H new ATOM 0 HA ILE A 57 -6.802 -16.412 6.746 1.00 0.00 H new ATOM 0 HB ILE A 57 -5.399 -13.811 6.183 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.096 -15.055 8.627 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -5.510 -13.424 8.367 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -7.661 -12.852 6.087 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -7.381 -14.038 4.789 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -8.354 -14.487 6.209 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -7.672 -13.396 9.570 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -7.840 -12.635 7.970 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -8.436 -14.291 8.234 1.00 0.00 H new ATOM 870 N THR A 58 -7.158 -16.114 4.205 1.00 0.00 N ATOM 871 CA THR A 58 -7.312 -16.411 2.791 1.00 0.00 C ATOM 872 C THR A 58 -8.701 -15.990 2.306 1.00 0.00 C ATOM 873 O THR A 58 -9.706 -16.306 2.940 1.00 0.00 O ATOM 874 CB THR A 58 -7.023 -17.900 2.587 1.00 0.00 C ATOM 875 OG1 THR A 58 -6.399 -17.959 1.307 1.00 0.00 O ATOM 876 CG2 THR A 58 -8.299 -18.727 2.418 1.00 0.00 C ATOM 0 H THR A 58 -8.017 -15.831 4.677 1.00 0.00 H new ATOM 0 HA THR A 58 -6.605 -15.842 2.188 1.00 0.00 H new ATOM 0 HB THR A 58 -6.455 -18.279 3.437 1.00 0.00 H new ATOM 0 HG1 THR A 58 -6.176 -18.889 1.095 1.00 0.00 H new ATOM 0 HG21 THR A 58 -8.037 -19.776 2.277 1.00 0.00 H new ATOM 0 HG22 THR A 58 -8.919 -18.625 3.308 1.00 0.00 H new ATOM 0 HG23 THR A 58 -8.851 -18.371 1.548 1.00 0.00 H new ATOM 884 N TYR A 59 -8.711 -15.283 1.185 1.00 0.00 N ATOM 885 CA TYR A 59 -9.960 -14.815 0.608 1.00 0.00 C ATOM 886 C TYR A 59 -9.739 -14.264 -0.802 1.00 0.00 C ATOM 887 O TYR A 59 -8.616 -14.269 -1.306 1.00 0.00 O ATOM 888 CB TYR A 59 -10.446 -13.683 1.515 1.00 0.00 C ATOM 889 CG TYR A 59 -9.373 -12.644 1.843 1.00 0.00 C ATOM 890 CD1 TYR A 59 -9.072 -11.652 0.932 1.00 0.00 C ATOM 891 CD2 TYR A 59 -8.705 -12.698 3.049 1.00 0.00 C ATOM 892 CE1 TYR A 59 -8.061 -10.673 1.240 1.00 0.00 C ATOM 893 CE2 TYR A 59 -7.695 -11.720 3.358 1.00 0.00 C ATOM 894 CZ TYR A 59 -7.423 -10.755 2.438 1.00 0.00 C ATOM 895 OH TYR A 59 -6.469 -9.831 2.730 1.00 0.00 O ATOM 0 H TYR A 59 -7.875 -15.023 0.662 1.00 0.00 H new ATOM 0 HA TYR A 59 -10.679 -15.631 0.536 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.287 -13.183 1.035 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -10.819 -14.111 2.445 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -9.595 -11.610 -0.012 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.940 -13.475 3.762 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -7.815 -9.892 0.536 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -7.165 -11.751 4.299 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.896 -9.010 3.052 1.00 0.00 H new ATOM 905 N ASP A 60 -10.827 -13.801 -1.399 1.00 0.00 N ATOM 906 CA ASP A 60 -10.766 -13.246 -2.741 1.00 0.00 C ATOM 907 C ASP A 60 -10.383 -11.767 -2.661 1.00 0.00 C ATOM 908 O ASP A 60 -11.067 -10.980 -2.009 1.00 0.00 O ATOM 909 CB ASP A 60 -12.123 -13.345 -3.440 1.00 0.00 C ATOM 910 CG ASP A 60 -12.595 -14.770 -3.739 1.00 0.00 C ATOM 911 OD1 ASP A 60 -11.714 -15.613 -4.016 1.00 0.00 O ATOM 912 OD2 ASP A 60 -13.825 -14.984 -3.683 1.00 0.00 O ATOM 0 H ASP A 60 -11.756 -13.799 -0.978 1.00 0.00 H new ATOM 0 HA ASP A 60 -10.026 -13.813 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.871 -12.853 -2.818 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.073 -12.791 -4.377 1.00 0.00 H new ATOM 917 N ILE A 61 -9.290 -11.435 -3.333 1.00 0.00 N ATOM 918 CA ILE A 61 -8.808 -10.064 -3.345 1.00 0.00 C ATOM 919 C ILE A 61 -9.962 -9.125 -3.701 1.00 0.00 C ATOM 920 O ILE A 61 -9.986 -7.974 -3.269 1.00 0.00 O ATOM 921 CB ILE A 61 -7.598 -9.931 -4.273 1.00 0.00 C ATOM 922 CG1 ILE A 61 -6.336 -9.582 -3.481 1.00 0.00 C ATOM 923 CG2 ILE A 61 -7.872 -8.921 -5.389 1.00 0.00 C ATOM 924 CD1 ILE A 61 -5.166 -9.280 -4.419 1.00 0.00 C ATOM 0 H ILE A 61 -8.725 -12.091 -3.872 1.00 0.00 H new ATOM 0 HA ILE A 61 -8.456 -9.775 -2.355 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.423 -10.896 -4.748 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.529 -8.718 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.075 -10.411 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.997 -8.845 -6.034 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -8.728 -9.252 -5.977 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.086 -7.946 -4.952 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -4.282 -9.035 -3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -4.960 -10.154 -5.037 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.421 -8.435 -5.059 1.00 0.00 H new ATOM 936 N SER A 62 -10.891 -9.652 -4.485 1.00 0.00 N ATOM 937 CA SER A 62 -12.045 -8.874 -4.904 1.00 0.00 C ATOM 938 C SER A 62 -13.051 -8.771 -3.756 1.00 0.00 C ATOM 939 O SER A 62 -13.774 -7.782 -3.646 1.00 0.00 O ATOM 940 CB SER A 62 -12.708 -9.493 -6.136 1.00 0.00 C ATOM 941 OG SER A 62 -12.349 -8.811 -7.335 1.00 0.00 O ATOM 0 H SER A 62 -10.868 -10.608 -4.841 1.00 0.00 H new ATOM 0 HA SER A 62 -11.705 -7.874 -5.172 1.00 0.00 H new ATOM 0 HB2 SER A 62 -12.419 -10.541 -6.215 1.00 0.00 H new ATOM 0 HB3 SER A 62 -13.791 -9.469 -6.016 1.00 0.00 H new ATOM 0 HG SER A 62 -12.791 -9.237 -8.099 1.00 0.00 H new ATOM 947 N GLN A 63 -13.065 -9.807 -2.929 1.00 0.00 N ATOM 948 CA GLN A 63 -13.971 -9.845 -1.793 1.00 0.00 C ATOM 949 C GLN A 63 -13.530 -8.838 -0.729 1.00 0.00 C ATOM 950 O GLN A 63 -14.348 -8.361 0.056 1.00 0.00 O ATOM 951 CB GLN A 63 -14.059 -11.257 -1.210 1.00 0.00 C ATOM 952 CG GLN A 63 -15.010 -12.130 -2.029 1.00 0.00 C ATOM 953 CD GLN A 63 -16.454 -11.966 -1.552 1.00 0.00 C ATOM 954 OE1 GLN A 63 -16.756 -12.025 -0.371 1.00 0.00 O ATOM 955 NE2 GLN A 63 -17.328 -11.757 -2.533 1.00 0.00 N ATOM 0 H GLN A 63 -12.464 -10.626 -3.023 1.00 0.00 H new ATOM 0 HA GLN A 63 -14.967 -9.567 -2.137 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -13.068 -11.710 -1.193 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -14.404 -11.207 -0.177 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -14.939 -11.861 -3.083 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -14.712 -13.175 -1.946 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -17.009 -11.719 -3.501 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -18.317 -11.635 -2.317 1.00 0.00 H new ATOM 964 N LEU A 64 -12.238 -8.545 -0.737 1.00 0.00 N ATOM 965 CA LEU A 64 -11.678 -7.603 0.218 1.00 0.00 C ATOM 966 C LEU A 64 -12.066 -6.180 -0.188 1.00 0.00 C ATOM 967 O LEU A 64 -12.412 -5.360 0.662 1.00 0.00 O ATOM 968 CB LEU A 64 -10.169 -7.813 0.357 1.00 0.00 C ATOM 969 CG LEU A 64 -9.302 -6.560 0.222 1.00 0.00 C ATOM 970 CD1 LEU A 64 -9.559 -5.589 1.376 1.00 0.00 C ATOM 971 CD2 LEU A 64 -7.822 -6.927 0.100 1.00 0.00 C ATOM 0 H LEU A 64 -11.563 -8.943 -1.390 1.00 0.00 H new ATOM 0 HA LEU A 64 -12.093 -7.776 1.211 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.973 -8.263 1.330 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -9.852 -8.533 -0.397 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.583 -6.048 -0.698 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.930 -4.707 1.256 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.607 -5.290 1.374 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.323 -6.077 2.322 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.228 -6.018 0.005 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.508 -7.474 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.673 -7.551 -0.781 1.00 0.00 H new ATOM 983 N PHE A 65 -11.996 -5.930 -1.487 1.00 0.00 N ATOM 984 CA PHE A 65 -12.336 -4.620 -2.016 1.00 0.00 C ATOM 985 C PHE A 65 -13.842 -4.365 -1.924 1.00 0.00 C ATOM 986 O PHE A 65 -14.295 -3.235 -2.096 1.00 0.00 O ATOM 987 CB PHE A 65 -11.918 -4.610 -3.488 1.00 0.00 C ATOM 988 CG PHE A 65 -10.405 -4.679 -3.706 1.00 0.00 C ATOM 989 CD1 PHE A 65 -9.568 -3.990 -2.886 1.00 0.00 C ATOM 990 CD2 PHE A 65 -9.898 -5.430 -4.721 1.00 0.00 C ATOM 991 CE1 PHE A 65 -8.164 -4.054 -3.088 1.00 0.00 C ATOM 992 CE2 PHE A 65 -8.494 -5.494 -4.923 1.00 0.00 C ATOM 993 CZ PHE A 65 -7.657 -4.805 -4.103 1.00 0.00 C ATOM 0 H PHE A 65 -11.709 -6.612 -2.189 1.00 0.00 H new ATOM 0 HA PHE A 65 -11.828 -3.844 -1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -12.386 -5.454 -3.994 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -12.301 -3.704 -3.958 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -9.971 -3.394 -2.081 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -10.563 -5.977 -5.373 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -7.499 -3.507 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -8.091 -6.090 -5.728 1.00 0.00 H new ATOM 0 HZ PHE A 65 -6.589 -4.854 -4.257 1.00 0.00 H new ATOM 1003 N ASP A 66 -14.575 -5.434 -1.653 1.00 0.00 N ATOM 1004 CA ASP A 66 -16.020 -5.341 -1.535 1.00 0.00 C ATOM 1005 C ASP A 66 -16.374 -4.434 -0.355 1.00 0.00 C ATOM 1006 O ASP A 66 -17.481 -3.901 -0.287 1.00 0.00 O ATOM 1007 CB ASP A 66 -16.642 -6.715 -1.279 1.00 0.00 C ATOM 1008 CG ASP A 66 -18.002 -6.943 -1.941 1.00 0.00 C ATOM 1009 OD1 ASP A 66 -18.677 -5.927 -2.217 1.00 0.00 O ATOM 1010 OD2 ASP A 66 -18.337 -8.128 -2.157 1.00 0.00 O ATOM 0 H ASP A 66 -14.195 -6.370 -1.512 1.00 0.00 H new ATOM 0 HA ASP A 66 -16.409 -4.938 -2.470 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.951 -7.481 -1.630 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.751 -6.853 -0.203 1.00 0.00 H new ATOM 1015 N PHE A 67 -15.414 -4.286 0.545 1.00 0.00 N ATOM 1016 CA PHE A 67 -15.610 -3.453 1.719 1.00 0.00 C ATOM 1017 C PHE A 67 -15.032 -2.053 1.501 1.00 0.00 C ATOM 1018 O PHE A 67 -15.590 -1.066 1.978 1.00 0.00 O ATOM 1019 CB PHE A 67 -14.865 -4.125 2.874 1.00 0.00 C ATOM 1020 CG PHE A 67 -14.118 -3.148 3.785 1.00 0.00 C ATOM 1021 CD1 PHE A 67 -14.803 -2.411 4.699 1.00 0.00 C ATOM 1022 CD2 PHE A 67 -12.768 -3.017 3.680 1.00 0.00 C ATOM 1023 CE1 PHE A 67 -14.110 -1.504 5.544 1.00 0.00 C ATOM 1024 CE2 PHE A 67 -12.075 -2.111 4.525 1.00 0.00 C ATOM 1025 CZ PHE A 67 -12.760 -1.373 5.439 1.00 0.00 C ATOM 0 H PHE A 67 -14.497 -4.729 0.485 1.00 0.00 H new ATOM 0 HA PHE A 67 -16.675 -3.349 1.927 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -15.579 -4.691 3.473 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -14.153 -4.842 2.465 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -15.875 -2.515 4.783 1.00 0.00 H new ATOM 0 HD2 PHE A 67 -12.224 -3.602 2.954 1.00 0.00 H new ATOM 0 HE1 PHE A 67 -14.655 -0.918 6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 67 -11.003 -2.008 4.442 1.00 0.00 H new ATOM 0 HZ PHE A 67 -12.233 -0.683 6.081 1.00 0.00 H new ATOM 1035 N ILE A 68 -13.921 -2.012 0.780 1.00 0.00 N ATOM 1036 CA ILE A 68 -13.261 -0.750 0.493 1.00 0.00 C ATOM 1037 C ILE A 68 -14.243 0.183 -0.219 1.00 0.00 C ATOM 1038 O ILE A 68 -14.051 1.398 -0.233 1.00 0.00 O ATOM 1039 CB ILE A 68 -11.965 -0.987 -0.284 1.00 0.00 C ATOM 1040 CG1 ILE A 68 -10.838 -1.427 0.652 1.00 0.00 C ATOM 1041 CG2 ILE A 68 -11.582 0.248 -1.102 1.00 0.00 C ATOM 1042 CD1 ILE A 68 -9.579 -1.791 -0.139 1.00 0.00 C ATOM 0 H ILE A 68 -13.461 -2.833 0.386 1.00 0.00 H new ATOM 0 HA ILE A 68 -12.964 -0.256 1.418 1.00 0.00 H new ATOM 0 HB ILE A 68 -12.134 -1.800 -0.990 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.611 -0.626 1.355 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.163 -2.285 1.240 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -10.657 0.053 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -12.378 0.476 -1.811 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -11.438 1.097 -0.434 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -8.793 -2.100 0.550 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -9.803 -2.609 -0.824 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.243 -0.924 -0.707 1.00 0.00 H new ATOM 1054 N ASP A 69 -15.274 -0.420 -0.792 1.00 0.00 N ATOM 1055 CA ASP A 69 -16.286 0.341 -1.504 1.00 0.00 C ATOM 1056 C ASP A 69 -17.226 1.002 -0.494 1.00 0.00 C ATOM 1057 O ASP A 69 -17.795 2.057 -0.768 1.00 0.00 O ATOM 1058 CB ASP A 69 -17.124 -0.566 -2.407 1.00 0.00 C ATOM 1059 CG ASP A 69 -17.903 0.158 -3.507 1.00 0.00 C ATOM 1060 OD1 ASP A 69 -17.238 0.837 -4.320 1.00 0.00 O ATOM 1061 OD2 ASP A 69 -19.144 0.016 -3.512 1.00 0.00 O ATOM 0 H ASP A 69 -15.430 -1.428 -0.778 1.00 0.00 H new ATOM 0 HA ASP A 69 -15.778 1.088 -2.115 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -16.465 -1.299 -2.872 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -17.829 -1.119 -1.787 1.00 0.00 H new ATOM 1066 N ASP A 70 -17.359 0.353 0.654 1.00 0.00 N ATOM 1067 CA ASP A 70 -18.220 0.865 1.707 1.00 0.00 C ATOM 1068 C ASP A 70 -17.609 2.143 2.284 1.00 0.00 C ATOM 1069 O ASP A 70 -18.329 3.073 2.643 1.00 0.00 O ATOM 1070 CB ASP A 70 -18.360 -0.148 2.845 1.00 0.00 C ATOM 1071 CG ASP A 70 -19.422 0.196 3.890 1.00 0.00 C ATOM 1072 OD1 ASP A 70 -20.477 0.721 3.475 1.00 0.00 O ATOM 1073 OD2 ASP A 70 -19.154 -0.073 5.081 1.00 0.00 O ATOM 0 H ASP A 70 -16.885 -0.522 0.878 1.00 0.00 H new ATOM 0 HA ASP A 70 -19.201 1.060 1.275 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -18.595 -1.122 2.417 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -17.397 -0.244 3.346 1.00 0.00 H new ATOM 1078 N LEU A 71 -16.286 2.148 2.355 1.00 0.00 N ATOM 1079 CA LEU A 71 -15.569 3.297 2.883 1.00 0.00 C ATOM 1080 C LEU A 71 -16.140 4.575 2.266 1.00 0.00 C ATOM 1081 O LEU A 71 -16.916 4.517 1.314 1.00 0.00 O ATOM 1082 CB LEU A 71 -14.063 3.132 2.672 1.00 0.00 C ATOM 1083 CG LEU A 71 -13.396 2.000 3.456 1.00 0.00 C ATOM 1084 CD1 LEU A 71 -11.931 1.837 3.045 1.00 0.00 C ATOM 1085 CD2 LEU A 71 -13.547 2.215 4.964 1.00 0.00 C ATOM 0 H LEU A 71 -15.692 1.375 2.056 1.00 0.00 H new ATOM 0 HA LEU A 71 -15.710 3.372 3.961 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -13.881 2.968 1.610 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.574 4.069 2.938 1.00 0.00 H new ATOM 0 HG LEU A 71 -13.905 1.068 3.210 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.481 1.026 3.617 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.875 1.605 1.981 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -11.392 2.764 3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -13.064 1.397 5.498 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.079 3.158 5.246 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -14.605 2.243 5.223 1.00 0.00 H new ATOM 1097 N ALA A 72 -15.734 5.701 2.835 1.00 0.00 N ATOM 1098 CA ALA A 72 -16.195 6.992 2.353 1.00 0.00 C ATOM 1099 C ALA A 72 -15.251 7.489 1.257 1.00 0.00 C ATOM 1100 O ALA A 72 -15.699 8.011 0.237 1.00 0.00 O ATOM 1101 CB ALA A 72 -16.293 7.970 3.526 1.00 0.00 C ATOM 0 H ALA A 72 -15.091 5.746 3.625 1.00 0.00 H new ATOM 0 HA ALA A 72 -17.190 6.906 1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -16.639 8.938 3.164 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -16.998 7.585 4.263 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -15.312 8.084 3.987 1.00 0.00 H new ATOM 1107 N ASP A 73 -13.962 7.309 1.504 1.00 0.00 N ATOM 1108 CA ASP A 73 -12.951 7.733 0.550 1.00 0.00 C ATOM 1109 C ASP A 73 -11.562 7.462 1.131 1.00 0.00 C ATOM 1110 O ASP A 73 -11.119 8.161 2.041 1.00 0.00 O ATOM 1111 CB ASP A 73 -13.059 9.232 0.263 1.00 0.00 C ATOM 1112 CG ASP A 73 -12.089 9.759 -0.797 1.00 0.00 C ATOM 1113 OD1 ASP A 73 -11.101 9.044 -1.068 1.00 0.00 O ATOM 1114 OD2 ASP A 73 -12.359 10.866 -1.312 1.00 0.00 O ATOM 0 H ASP A 73 -13.594 6.875 2.351 1.00 0.00 H new ATOM 0 HA ASP A 73 -13.105 7.177 -0.374 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -14.078 9.453 -0.056 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -12.890 9.778 1.191 1.00 0.00 H new ATOM 1119 N LEU A 74 -10.914 6.445 0.581 1.00 0.00 N ATOM 1120 CA LEU A 74 -9.585 6.073 1.033 1.00 0.00 C ATOM 1121 C LEU A 74 -8.546 6.613 0.049 1.00 0.00 C ATOM 1122 O LEU A 74 -8.722 6.509 -1.164 1.00 0.00 O ATOM 1123 CB LEU A 74 -9.497 4.561 1.252 1.00 0.00 C ATOM 1124 CG LEU A 74 -8.090 3.991 1.438 1.00 0.00 C ATOM 1125 CD1 LEU A 74 -7.639 4.108 2.896 1.00 0.00 C ATOM 1126 CD2 LEU A 74 -8.010 2.550 0.928 1.00 0.00 C ATOM 0 H LEU A 74 -11.285 5.868 -0.173 1.00 0.00 H new ATOM 0 HA LEU A 74 -9.372 6.525 2.002 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -10.090 4.306 2.130 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -9.960 4.063 0.400 1.00 0.00 H new ATOM 0 HG LEU A 74 -7.400 4.584 0.838 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -6.636 3.695 3.001 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.633 5.157 3.192 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -8.327 3.555 3.535 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -6.999 2.169 1.072 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -8.714 1.929 1.481 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.259 2.525 -0.133 1.00 0.00 H new ATOM 1138 N SER A 75 -7.485 7.178 0.607 1.00 0.00 N ATOM 1139 CA SER A 75 -6.418 7.734 -0.207 1.00 0.00 C ATOM 1140 C SER A 75 -5.059 7.389 0.405 1.00 0.00 C ATOM 1141 O SER A 75 -4.991 6.786 1.475 1.00 0.00 O ATOM 1142 CB SER A 75 -6.567 9.251 -0.348 1.00 0.00 C ATOM 1143 OG SER A 75 -7.934 9.651 -0.391 1.00 0.00 O ATOM 0 H SER A 75 -7.342 7.263 1.613 1.00 0.00 H new ATOM 0 HA SER A 75 -6.483 7.295 -1.203 1.00 0.00 H new ATOM 0 HB2 SER A 75 -6.071 9.743 0.489 1.00 0.00 H new ATOM 0 HB3 SER A 75 -6.064 9.582 -1.256 1.00 0.00 H new ATOM 0 HG SER A 75 -7.987 10.626 -0.480 1.00 0.00 H new ATOM 1149 N CYS A 76 -4.010 7.787 -0.300 1.00 0.00 N ATOM 1150 CA CYS A 76 -2.657 7.527 0.161 1.00 0.00 C ATOM 1151 C CYS A 76 -1.748 8.637 -0.369 1.00 0.00 C ATOM 1152 O CYS A 76 -2.049 9.258 -1.387 1.00 0.00 O ATOM 1153 CB CYS A 76 -2.171 6.140 -0.265 1.00 0.00 C ATOM 1154 SG CYS A 76 -2.713 5.785 -1.976 1.00 0.00 S ATOM 0 H CYS A 76 -4.070 8.287 -1.187 1.00 0.00 H new ATOM 0 HA CYS A 76 -2.635 7.529 1.251 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -1.084 6.091 -0.202 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -2.564 5.383 0.414 1.00 0.00 H new ATOM 0 HG CYS A 76 -2.009 4.805 -2.460 1.00 0.00 H new ATOM 1160 N LEU A 77 -0.653 8.854 0.345 1.00 0.00 N ATOM 1161 CA LEU A 77 0.302 9.878 -0.040 1.00 0.00 C ATOM 1162 C LEU A 77 1.672 9.235 -0.263 1.00 0.00 C ATOM 1163 O LEU A 77 2.252 8.666 0.661 1.00 0.00 O ATOM 1164 CB LEU A 77 0.315 11.012 0.987 1.00 0.00 C ATOM 1165 CG LEU A 77 -0.999 11.777 1.158 1.00 0.00 C ATOM 1166 CD1 LEU A 77 -1.666 12.031 -0.195 1.00 0.00 C ATOM 1167 CD2 LEU A 77 -1.932 11.053 2.130 1.00 0.00 C ATOM 0 H LEU A 77 -0.406 8.337 1.189 1.00 0.00 H new ATOM 0 HA LEU A 77 0.008 10.337 -0.984 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.599 10.597 1.954 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.092 11.722 0.705 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.773 12.751 1.593 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -2.598 12.576 -0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.999 12.619 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -1.877 11.079 -0.681 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -2.859 11.618 2.234 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.155 10.057 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.448 10.968 3.103 1.00 0.00 H new ATOM 1179 N VAL A 78 2.150 9.346 -1.494 1.00 0.00 N ATOM 1180 CA VAL A 78 3.440 8.782 -1.850 1.00 0.00 C ATOM 1181 C VAL A 78 4.467 9.909 -1.979 1.00 0.00 C ATOM 1182 O VAL A 78 4.227 10.895 -2.674 1.00 0.00 O ATOM 1183 CB VAL A 78 3.312 7.942 -3.122 1.00 0.00 C ATOM 1184 CG1 VAL A 78 4.675 7.410 -3.568 1.00 0.00 C ATOM 1185 CG2 VAL A 78 2.314 6.799 -2.926 1.00 0.00 C ATOM 0 H VAL A 78 1.666 9.819 -2.257 1.00 0.00 H new ATOM 0 HA VAL A 78 3.791 8.110 -1.067 1.00 0.00 H new ATOM 0 HB VAL A 78 2.930 8.588 -3.913 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.555 6.816 -4.474 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.344 8.247 -3.768 1.00 0.00 H new ATOM 0 HG13 VAL A 78 5.098 6.787 -2.780 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.242 6.217 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.653 6.155 -2.115 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.335 7.209 -2.678 1.00 0.00 H new ATOM 1195 N TYR A 79 5.588 9.726 -1.297 1.00 0.00 N ATOM 1196 CA TYR A 79 6.652 10.715 -1.327 1.00 0.00 C ATOM 1197 C TYR A 79 7.616 10.449 -2.485 1.00 0.00 C ATOM 1198 O TYR A 79 8.145 9.347 -2.617 1.00 0.00 O ATOM 1199 CB TYR A 79 7.407 10.562 -0.005 1.00 0.00 C ATOM 1200 CG TYR A 79 8.316 11.745 0.333 1.00 0.00 C ATOM 1201 CD1 TYR A 79 9.466 11.963 -0.399 1.00 0.00 C ATOM 1202 CD2 TYR A 79 7.986 12.594 1.369 1.00 0.00 C ATOM 1203 CE1 TYR A 79 10.322 13.077 -0.080 1.00 0.00 C ATOM 1204 CE2 TYR A 79 8.842 13.708 1.688 1.00 0.00 C ATOM 1205 CZ TYR A 79 9.967 13.894 0.947 1.00 0.00 C ATOM 1206 OH TYR A 79 10.775 14.946 1.248 1.00 0.00 O ATOM 0 H TYR A 79 5.783 8.907 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 79 6.242 11.716 -1.461 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.685 10.430 0.801 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.009 9.654 -0.045 1.00 0.00 H new ATOM 0 HD1 TYR A 79 9.724 11.299 -1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 79 7.086 12.424 1.941 1.00 0.00 H new ATOM 0 HE1 TYR A 79 11.225 13.259 -0.644 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.596 14.380 2.497 1.00 0.00 H new ATOM 0 HH TYR A 79 10.397 15.444 2.003 1.00 0.00 H new ATOM 1216 N ARG A 80 7.814 11.479 -3.296 1.00 0.00 N ATOM 1217 CA ARG A 80 8.705 11.370 -4.439 1.00 0.00 C ATOM 1218 C ARG A 80 9.788 12.449 -4.372 1.00 0.00 C ATOM 1219 O ARG A 80 9.495 13.637 -4.503 1.00 0.00 O ATOM 1220 CB ARG A 80 7.934 11.512 -5.753 1.00 0.00 C ATOM 1221 CG ARG A 80 7.322 12.908 -5.882 1.00 0.00 C ATOM 1222 CD ARG A 80 6.093 12.886 -6.793 1.00 0.00 C ATOM 1223 NE ARG A 80 6.479 12.447 -8.152 1.00 0.00 N ATOM 1224 CZ ARG A 80 5.697 12.573 -9.233 1.00 0.00 C ATOM 1225 NH1 ARG A 80 4.481 13.125 -9.119 1.00 0.00 N ATOM 1226 NH2 ARG A 80 6.130 12.146 -10.427 1.00 0.00 N ATOM 0 H ARG A 80 7.373 12.392 -3.184 1.00 0.00 H new ATOM 0 HA ARG A 80 9.167 10.383 -4.407 1.00 0.00 H new ATOM 0 HB2 ARG A 80 8.603 11.325 -6.593 1.00 0.00 H new ATOM 0 HB3 ARG A 80 7.146 10.760 -5.800 1.00 0.00 H new ATOM 0 HG2 ARG A 80 7.042 13.279 -4.896 1.00 0.00 H new ATOM 0 HG3 ARG A 80 8.064 13.599 -6.283 1.00 0.00 H new ATOM 0 HD2 ARG A 80 5.339 12.213 -6.385 1.00 0.00 H new ATOM 0 HD3 ARG A 80 5.644 13.878 -6.836 1.00 0.00 H new ATOM 0 HE ARG A 80 7.398 12.022 -8.274 1.00 0.00 H new ATOM 0 HH11 ARG A 80 4.151 13.449 -8.210 1.00 0.00 H new ATOM 0 HH12 ARG A 80 3.885 13.221 -9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 80 7.055 11.725 -10.513 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.535 12.242 -11.250 1.00 0.00 H new ATOM 1240 N ALA A 81 11.016 11.997 -4.167 1.00 0.00 N ATOM 1241 CA ALA A 81 12.145 12.909 -4.081 1.00 0.00 C ATOM 1242 C ALA A 81 12.348 13.591 -5.435 1.00 0.00 C ATOM 1243 O ALA A 81 13.070 14.582 -5.533 1.00 0.00 O ATOM 1244 CB ALA A 81 13.387 12.143 -3.621 1.00 0.00 C ATOM 0 H ALA A 81 11.255 11.011 -4.058 1.00 0.00 H new ATOM 0 HA ALA A 81 11.953 13.689 -3.345 1.00 0.00 H new ATOM 0 HB1 ALA A 81 14.233 12.827 -3.557 1.00 0.00 H new ATOM 0 HB2 ALA A 81 13.201 11.703 -2.641 1.00 0.00 H new ATOM 0 HB3 ALA A 81 13.613 11.353 -4.337 1.00 0.00 H new ATOM 1250 N ASP A 82 11.700 13.032 -6.446 1.00 0.00 N ATOM 1251 CA ASP A 82 11.801 13.573 -7.791 1.00 0.00 C ATOM 1252 C ASP A 82 11.415 15.053 -7.770 1.00 0.00 C ATOM 1253 O ASP A 82 12.159 15.900 -8.264 1.00 0.00 O ATOM 1254 CB ASP A 82 10.852 12.850 -8.749 1.00 0.00 C ATOM 1255 CG ASP A 82 11.483 12.400 -10.067 1.00 0.00 C ATOM 1256 OD1 ASP A 82 12.553 11.757 -9.994 1.00 0.00 O ATOM 1257 OD2 ASP A 82 10.882 12.708 -11.119 1.00 0.00 O ATOM 0 H ASP A 82 11.103 12.210 -6.361 1.00 0.00 H new ATOM 0 HA ASP A 82 12.828 13.439 -8.132 1.00 0.00 H new ATOM 0 HB2 ASP A 82 10.444 11.976 -8.242 1.00 0.00 H new ATOM 0 HB3 ASP A 82 10.013 13.509 -8.972 1.00 0.00 H new ATOM 1262 N THR A 83 10.252 15.321 -7.194 1.00 0.00 N ATOM 1263 CA THR A 83 9.758 16.684 -7.103 1.00 0.00 C ATOM 1264 C THR A 83 9.565 17.084 -5.639 1.00 0.00 C ATOM 1265 O THR A 83 9.237 18.233 -5.343 1.00 0.00 O ATOM 1266 CB THR A 83 8.477 16.780 -7.933 1.00 0.00 C ATOM 1267 OG1 THR A 83 7.679 15.696 -7.466 1.00 0.00 O ATOM 1268 CG2 THR A 83 8.712 16.460 -9.411 1.00 0.00 C ATOM 0 H THR A 83 9.638 14.617 -6.786 1.00 0.00 H new ATOM 0 HA THR A 83 10.479 17.394 -7.509 1.00 0.00 H new ATOM 0 HB THR A 83 8.059 17.782 -7.841 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.827 15.684 -7.950 1.00 0.00 H new ATOM 0 HG21 THR A 83 7.771 16.543 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 83 9.434 17.164 -9.825 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.099 15.445 -9.507 1.00 0.00 H new ATOM 1276 N GLN A 84 9.776 16.115 -4.761 1.00 0.00 N ATOM 1277 CA GLN A 84 9.629 16.351 -3.335 1.00 0.00 C ATOM 1278 C GLN A 84 8.208 16.822 -3.019 1.00 0.00 C ATOM 1279 O GLN A 84 8.006 17.960 -2.598 1.00 0.00 O ATOM 1280 CB GLN A 84 10.664 17.361 -2.837 1.00 0.00 C ATOM 1281 CG GLN A 84 11.998 16.675 -2.533 1.00 0.00 C ATOM 1282 CD GLN A 84 12.379 16.845 -1.061 1.00 0.00 C ATOM 1283 OE1 GLN A 84 12.007 17.803 -0.403 1.00 0.00 O ATOM 1284 NE2 GLN A 84 13.140 15.864 -0.583 1.00 0.00 N ATOM 0 H GLN A 84 10.048 15.164 -5.010 1.00 0.00 H new ATOM 0 HA GLN A 84 9.805 15.412 -2.811 1.00 0.00 H new ATOM 0 HB2 GLN A 84 10.813 18.136 -3.589 1.00 0.00 H new ATOM 0 HB3 GLN A 84 10.292 17.855 -1.939 1.00 0.00 H new ATOM 0 HG2 GLN A 84 11.929 15.614 -2.774 1.00 0.00 H new ATOM 0 HG3 GLN A 84 12.780 17.095 -3.166 1.00 0.00 H new ATOM 0 HE21 GLN A 84 13.415 15.091 -1.189 1.00 0.00 H new ATOM 0 HE22 GLN A 84 13.448 15.885 0.389 1.00 0.00 H new ATOM 1293 N THR A 85 7.259 15.923 -3.233 1.00 0.00 N ATOM 1294 CA THR A 85 5.862 16.232 -2.977 1.00 0.00 C ATOM 1295 C THR A 85 5.064 14.946 -2.753 1.00 0.00 C ATOM 1296 O THR A 85 5.532 13.856 -3.078 1.00 0.00 O ATOM 1297 CB THR A 85 5.343 17.075 -4.143 1.00 0.00 C ATOM 1298 OG1 THR A 85 4.013 17.414 -3.760 1.00 0.00 O ATOM 1299 CG2 THR A 85 5.165 16.257 -5.424 1.00 0.00 C ATOM 0 H THR A 85 7.430 14.980 -3.581 1.00 0.00 H new ATOM 0 HA THR A 85 5.746 16.812 -2.062 1.00 0.00 H new ATOM 0 HB THR A 85 6.033 17.898 -4.331 1.00 0.00 H new ATOM 0 HG1 THR A 85 3.601 17.963 -4.459 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.795 16.903 -6.220 1.00 0.00 H new ATOM 0 HG22 THR A 85 6.124 15.830 -5.719 1.00 0.00 H new ATOM 0 HG23 THR A 85 4.450 15.454 -5.246 1.00 0.00 H new ATOM 1307 N TYR A 86 3.872 15.116 -2.200 1.00 0.00 N ATOM 1308 CA TYR A 86 3.004 13.983 -1.929 1.00 0.00 C ATOM 1309 C TYR A 86 1.837 13.938 -2.918 1.00 0.00 C ATOM 1310 O TYR A 86 1.027 14.862 -2.971 1.00 0.00 O ATOM 1311 CB TYR A 86 2.453 14.201 -0.519 1.00 0.00 C ATOM 1312 CG TYR A 86 1.397 15.304 -0.427 1.00 0.00 C ATOM 1313 CD1 TYR A 86 1.785 16.626 -0.340 1.00 0.00 C ATOM 1314 CD2 TYR A 86 0.056 14.978 -0.431 1.00 0.00 C ATOM 1315 CE1 TYR A 86 0.791 17.664 -0.253 1.00 0.00 C ATOM 1316 CE2 TYR A 86 -0.938 16.016 -0.345 1.00 0.00 C ATOM 1317 CZ TYR A 86 -0.522 17.308 -0.260 1.00 0.00 C ATOM 1318 OH TYR A 86 -1.461 18.288 -0.178 1.00 0.00 O ATOM 0 H TYR A 86 3.487 16.022 -1.932 1.00 0.00 H new ATOM 0 HA TYR A 86 3.555 13.047 -2.022 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.020 13.267 -0.161 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.279 14.446 0.149 1.00 0.00 H new ATOM 0 HD1 TYR A 86 2.834 16.882 -0.337 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.248 13.944 -0.499 1.00 0.00 H new ATOM 0 HE1 TYR A 86 1.081 18.702 -0.184 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -1.991 15.774 -0.348 1.00 0.00 H new ATOM 0 HH TYR A 86 -2.355 17.887 -0.195 1.00 0.00 H new ATOM 1328 N GLN A 87 1.789 12.853 -3.678 1.00 0.00 N ATOM 1329 CA GLN A 87 0.735 12.675 -4.662 1.00 0.00 C ATOM 1330 C GLN A 87 -0.444 11.920 -4.046 1.00 0.00 C ATOM 1331 O GLN A 87 -0.327 10.740 -3.718 1.00 0.00 O ATOM 1332 CB GLN A 87 1.261 11.952 -5.904 1.00 0.00 C ATOM 1333 CG GLN A 87 1.437 12.925 -7.071 1.00 0.00 C ATOM 1334 CD GLN A 87 0.445 12.619 -8.195 1.00 0.00 C ATOM 1335 OE1 GLN A 87 0.768 11.986 -9.187 1.00 0.00 O ATOM 1336 NE2 GLN A 87 -0.776 13.102 -7.986 1.00 0.00 N ATOM 0 H GLN A 87 2.463 12.089 -3.632 1.00 0.00 H new ATOM 0 HA GLN A 87 0.387 13.659 -4.975 1.00 0.00 H new ATOM 0 HB2 GLN A 87 2.215 11.476 -5.676 1.00 0.00 H new ATOM 0 HB3 GLN A 87 0.569 11.159 -6.188 1.00 0.00 H new ATOM 0 HG2 GLN A 87 1.292 13.947 -6.722 1.00 0.00 H new ATOM 0 HG3 GLN A 87 2.456 12.860 -7.453 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -0.979 13.624 -7.133 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -1.510 12.951 -8.678 1.00 0.00 H new ATOM 1345 N PRO A 88 -1.583 12.649 -3.904 1.00 0.00 N ATOM 1346 CA PRO A 88 -2.783 12.061 -3.333 1.00 0.00 C ATOM 1347 C PRO A 88 -3.465 11.127 -4.335 1.00 0.00 C ATOM 1348 O PRO A 88 -3.879 11.558 -5.409 1.00 0.00 O ATOM 1349 CB PRO A 88 -3.652 13.244 -2.938 1.00 0.00 C ATOM 1350 CG PRO A 88 -3.117 14.433 -3.719 1.00 0.00 C ATOM 1351 CD PRO A 88 -1.759 14.049 -4.282 1.00 0.00 C ATOM 0 HA PRO A 88 -2.573 11.432 -2.468 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -4.699 13.057 -3.179 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -3.599 13.426 -1.865 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -3.802 14.700 -4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -3.029 15.306 -3.072 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -1.730 14.174 -5.364 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -0.968 14.674 -3.868 1.00 0.00 H new ATOM 1359 N TYR A 89 -3.561 9.863 -3.947 1.00 0.00 N ATOM 1360 CA TYR A 89 -4.186 8.864 -4.797 1.00 0.00 C ATOM 1361 C TYR A 89 -5.435 8.283 -4.132 1.00 0.00 C ATOM 1362 O TYR A 89 -5.508 8.197 -2.908 1.00 0.00 O ATOM 1363 CB TYR A 89 -3.150 7.751 -4.971 1.00 0.00 C ATOM 1364 CG TYR A 89 -1.908 8.174 -5.758 1.00 0.00 C ATOM 1365 CD1 TYR A 89 -1.967 9.261 -6.607 1.00 0.00 C ATOM 1366 CD2 TYR A 89 -0.730 7.469 -5.619 1.00 0.00 C ATOM 1367 CE1 TYR A 89 -0.798 9.658 -7.348 1.00 0.00 C ATOM 1368 CE2 TYR A 89 0.439 7.867 -6.360 1.00 0.00 C ATOM 1369 CZ TYR A 89 0.347 8.942 -7.188 1.00 0.00 C ATOM 1370 OH TYR A 89 1.451 9.318 -7.888 1.00 0.00 O ATOM 0 H TYR A 89 -3.216 9.508 -3.055 1.00 0.00 H new ATOM 0 HA TYR A 89 -4.491 9.304 -5.747 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -2.841 7.399 -3.987 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -3.619 6.908 -5.478 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -2.889 9.813 -6.715 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -0.685 6.619 -4.955 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -0.830 10.506 -8.016 1.00 0.00 H new ATOM 0 HE2 TYR A 89 1.367 7.324 -6.260 1.00 0.00 H new ATOM 0 HH TYR A 89 1.247 10.119 -8.414 1.00 0.00 H new ATOM 1380 N ASN A 90 -6.387 7.899 -4.970 1.00 0.00 N ATOM 1381 CA ASN A 90 -7.630 7.328 -4.479 1.00 0.00 C ATOM 1382 C ASN A 90 -7.362 5.922 -3.939 1.00 0.00 C ATOM 1383 O ASN A 90 -6.210 5.510 -3.816 1.00 0.00 O ATOM 1384 CB ASN A 90 -8.665 7.215 -5.601 1.00 0.00 C ATOM 1385 CG ASN A 90 -9.908 8.048 -5.286 1.00 0.00 C ATOM 1386 OD1 ASN A 90 -10.039 8.640 -4.227 1.00 0.00 O ATOM 1387 ND2 ASN A 90 -10.811 8.063 -6.262 1.00 0.00 N ATOM 0 H ASN A 90 -6.323 7.972 -5.985 1.00 0.00 H new ATOM 0 HA ASN A 90 -8.016 7.982 -3.697 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -8.226 7.551 -6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -8.947 6.171 -5.736 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -11.676 8.592 -6.149 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -10.639 7.545 -7.124 1.00 0.00 H new ATOM 1394 N LYS A 91 -8.446 5.225 -3.631 1.00 0.00 N ATOM 1395 CA LYS A 91 -8.342 3.873 -3.107 1.00 0.00 C ATOM 1396 C LYS A 91 -8.080 2.902 -4.260 1.00 0.00 C ATOM 1397 O LYS A 91 -7.643 1.774 -4.039 1.00 0.00 O ATOM 1398 CB LYS A 91 -9.580 3.524 -2.278 1.00 0.00 C ATOM 1399 CG LYS A 91 -10.799 3.309 -3.176 1.00 0.00 C ATOM 1400 CD LYS A 91 -12.084 3.232 -2.349 1.00 0.00 C ATOM 1401 CE LYS A 91 -12.882 4.533 -2.452 1.00 0.00 C ATOM 1402 NZ LYS A 91 -14.190 4.289 -3.100 1.00 0.00 N ATOM 0 H LYS A 91 -9.400 5.571 -3.734 1.00 0.00 H new ATOM 0 HA LYS A 91 -7.496 3.793 -2.424 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -9.390 2.623 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -9.784 4.325 -1.568 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -10.874 4.125 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -10.675 2.390 -3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -12.695 2.398 -2.696 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -11.838 3.034 -1.306 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -13.035 4.952 -1.458 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -12.317 5.269 -3.025 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -14.719 5.182 -3.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -14.038 3.909 -4.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -14.733 3.603 -2.538 1.00 0.00 H new ATOM 1416 N ASP A 92 -8.359 3.376 -5.465 1.00 0.00 N ATOM 1417 CA ASP A 92 -8.159 2.564 -6.653 1.00 0.00 C ATOM 1418 C ASP A 92 -6.671 2.240 -6.799 1.00 0.00 C ATOM 1419 O ASP A 92 -6.302 1.087 -7.020 1.00 0.00 O ATOM 1420 CB ASP A 92 -8.605 3.310 -7.912 1.00 0.00 C ATOM 1421 CG ASP A 92 -9.464 2.492 -8.878 1.00 0.00 C ATOM 1422 OD1 ASP A 92 -9.850 1.370 -8.484 1.00 0.00 O ATOM 1423 OD2 ASP A 92 -9.716 3.006 -9.989 1.00 0.00 O ATOM 0 H ASP A 92 -8.722 4.312 -5.644 1.00 0.00 H new ATOM 0 HA ASP A 92 -8.751 1.655 -6.543 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -9.165 4.196 -7.612 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -7.719 3.658 -8.443 1.00 0.00 H new ATOM 1428 N TRP A 93 -5.856 3.276 -6.670 1.00 0.00 N ATOM 1429 CA TRP A 93 -4.417 3.116 -6.785 1.00 0.00 C ATOM 1430 C TRP A 93 -3.961 2.141 -5.698 1.00 0.00 C ATOM 1431 O TRP A 93 -3.047 1.347 -5.915 1.00 0.00 O ATOM 1432 CB TRP A 93 -3.706 4.469 -6.710 1.00 0.00 C ATOM 1433 CG TRP A 93 -2.179 4.372 -6.727 1.00 0.00 C ATOM 1434 CD1 TRP A 93 -1.349 4.608 -7.752 1.00 0.00 C ATOM 1435 CD2 TRP A 93 -1.329 4.003 -5.621 1.00 0.00 C ATOM 1436 NE1 TRP A 93 -0.031 4.417 -7.390 1.00 0.00 N ATOM 1437 CE2 TRP A 93 -0.019 4.038 -6.053 1.00 0.00 C ATOM 1438 CE3 TRP A 93 -1.656 3.650 -4.300 1.00 0.00 C ATOM 1439 CZ2 TRP A 93 1.069 3.731 -5.226 1.00 0.00 C ATOM 1440 CZ3 TRP A 93 -0.558 3.347 -3.487 1.00 0.00 C ATOM 1441 CH2 TRP A 93 0.767 3.378 -3.906 1.00 0.00 C ATOM 0 H TRP A 93 -6.165 4.231 -6.487 1.00 0.00 H new ATOM 0 HA TRP A 93 -4.152 2.702 -7.758 1.00 0.00 H new ATOM 0 HB2 TRP A 93 -4.030 5.085 -7.549 1.00 0.00 H new ATOM 0 HB3 TRP A 93 -4.017 4.981 -5.800 1.00 0.00 H new ATOM 0 HD1 TRP A 93 -1.671 4.910 -8.738 1.00 0.00 H new ATOM 0 HE1 TRP A 93 0.784 4.533 -7.993 1.00 0.00 H new ATOM 0 HE3 TRP A 93 -2.674 3.615 -3.941 1.00 0.00 H new ATOM 0 HZ2 TRP A 93 2.086 3.765 -5.588 1.00 0.00 H new ATOM 0 HZ3 TRP A 93 -0.754 3.070 -2.462 1.00 0.00 H new ATOM 0 HH2 TRP A 93 1.560 3.131 -3.216 1.00 0.00 H new ATOM 1452 N ILE A 94 -4.620 2.232 -4.552 1.00 0.00 N ATOM 1453 CA ILE A 94 -4.295 1.367 -3.431 1.00 0.00 C ATOM 1454 C ILE A 94 -4.729 -0.064 -3.753 1.00 0.00 C ATOM 1455 O ILE A 94 -3.918 -0.988 -3.708 1.00 0.00 O ATOM 1456 CB ILE A 94 -4.899 1.917 -2.137 1.00 0.00 C ATOM 1457 CG1 ILE A 94 -4.476 3.370 -1.909 1.00 0.00 C ATOM 1458 CG2 ILE A 94 -4.549 1.024 -0.945 1.00 0.00 C ATOM 1459 CD1 ILE A 94 -5.529 4.125 -1.095 1.00 0.00 C ATOM 0 H ILE A 94 -5.378 2.892 -4.376 1.00 0.00 H new ATOM 0 HA ILE A 94 -3.218 1.344 -3.268 1.00 0.00 H new ATOM 0 HB ILE A 94 -5.984 1.909 -2.236 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -3.519 3.397 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -4.329 3.865 -2.869 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -4.991 1.438 -0.038 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -4.941 0.021 -1.114 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -3.466 0.976 -0.832 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -5.205 5.155 -0.947 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -6.478 4.117 -1.631 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -5.656 3.642 -0.126 1.00 0.00 H new ATOM 1471 N LYS A 95 -6.008 -0.203 -4.071 1.00 0.00 N ATOM 1472 CA LYS A 95 -6.560 -1.506 -4.400 1.00 0.00 C ATOM 1473 C LYS A 95 -5.680 -2.175 -5.459 1.00 0.00 C ATOM 1474 O LYS A 95 -5.688 -3.397 -5.596 1.00 0.00 O ATOM 1475 CB LYS A 95 -8.027 -1.377 -4.812 1.00 0.00 C ATOM 1476 CG LYS A 95 -8.880 -0.863 -3.650 1.00 0.00 C ATOM 1477 CD LYS A 95 -10.033 0.006 -4.159 1.00 0.00 C ATOM 1478 CE LYS A 95 -10.864 -0.743 -5.202 1.00 0.00 C ATOM 1479 NZ LYS A 95 -12.226 -1.009 -4.686 1.00 0.00 N ATOM 0 H LYS A 95 -6.678 0.566 -4.108 1.00 0.00 H new ATOM 0 HA LYS A 95 -6.555 -2.155 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -8.112 -0.696 -5.659 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -8.402 -2.346 -5.143 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -9.277 -1.706 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -8.259 -0.285 -2.966 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -10.669 0.298 -3.324 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -9.637 0.923 -4.595 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -10.924 -0.155 -6.118 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -10.376 -1.683 -5.458 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -12.760 -1.562 -5.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -12.162 -1.545 -3.797 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -12.714 -0.107 -4.512 1.00 0.00 H new ATOM 1493 N GLU A 96 -4.942 -1.344 -6.180 1.00 0.00 N ATOM 1494 CA GLU A 96 -4.059 -1.839 -7.222 1.00 0.00 C ATOM 1495 C GLU A 96 -2.754 -2.352 -6.611 1.00 0.00 C ATOM 1496 O GLU A 96 -2.272 -3.423 -6.977 1.00 0.00 O ATOM 1497 CB GLU A 96 -3.787 -0.758 -8.270 1.00 0.00 C ATOM 1498 CG GLU A 96 -5.075 -0.357 -8.991 1.00 0.00 C ATOM 1499 CD GLU A 96 -5.202 -1.084 -10.332 1.00 0.00 C ATOM 1500 OE1 GLU A 96 -4.640 -0.559 -11.317 1.00 0.00 O ATOM 1501 OE2 GLU A 96 -5.858 -2.148 -10.340 1.00 0.00 O ATOM 0 H GLU A 96 -4.937 -0.331 -6.063 1.00 0.00 H new ATOM 0 HA GLU A 96 -4.553 -2.670 -7.726 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -3.347 0.116 -7.790 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -3.059 -1.124 -8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -5.935 -0.591 -8.364 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -5.084 0.721 -9.155 1.00 0.00 H new ATOM 1508 N LYS A 97 -2.218 -1.563 -5.691 1.00 0.00 N ATOM 1509 CA LYS A 97 -0.977 -1.924 -5.027 1.00 0.00 C ATOM 1510 C LYS A 97 -1.223 -3.130 -4.117 1.00 0.00 C ATOM 1511 O LYS A 97 -0.648 -4.197 -4.326 1.00 0.00 O ATOM 1512 CB LYS A 97 -0.388 -0.715 -4.298 1.00 0.00 C ATOM 1513 CG LYS A 97 1.038 -0.429 -4.775 1.00 0.00 C ATOM 1514 CD LYS A 97 1.052 -0.017 -6.248 1.00 0.00 C ATOM 1515 CE LYS A 97 0.235 1.258 -6.468 1.00 0.00 C ATOM 1516 NZ LYS A 97 -0.985 0.964 -7.253 1.00 0.00 N ATOM 0 H LYS A 97 -2.620 -0.675 -5.390 1.00 0.00 H new ATOM 0 HA LYS A 97 -0.227 -2.223 -5.759 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -1.015 0.159 -4.471 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -0.386 -0.899 -3.224 1.00 0.00 H new ATOM 0 HG2 LYS A 97 1.476 0.363 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 97 1.656 -1.316 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 97 2.079 0.144 -6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 97 0.646 -0.823 -6.859 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -0.040 1.691 -5.506 1.00 0.00 H new ATOM 0 HE3 LYS A 97 0.840 1.999 -6.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.141 1.721 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -0.869 0.057 -7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.803 0.906 -6.614 1.00 0.00 H new ATOM 1530 N ILE A 98 -2.078 -2.919 -3.127 1.00 0.00 N ATOM 1531 CA ILE A 98 -2.407 -3.975 -2.185 1.00 0.00 C ATOM 1532 C ILE A 98 -2.504 -5.307 -2.932 1.00 0.00 C ATOM 1533 O ILE A 98 -1.923 -6.305 -2.507 1.00 0.00 O ATOM 1534 CB ILE A 98 -3.670 -3.618 -1.399 1.00 0.00 C ATOM 1535 CG1 ILE A 98 -4.091 -4.770 -0.484 1.00 0.00 C ATOM 1536 CG2 ILE A 98 -4.799 -3.191 -2.339 1.00 0.00 C ATOM 1537 CD1 ILE A 98 -5.197 -4.330 0.477 1.00 0.00 C ATOM 0 H ILE A 98 -2.553 -2.032 -2.957 1.00 0.00 H new ATOM 0 HA ILE A 98 -1.617 -4.082 -1.442 1.00 0.00 H new ATOM 0 HB ILE A 98 -3.444 -2.765 -0.759 1.00 0.00 H new ATOM 0 HG12 ILE A 98 -4.440 -5.609 -1.086 1.00 0.00 H new ATOM 0 HG13 ILE A 98 -3.230 -5.122 0.084 1.00 0.00 H new ATOM 0 HG21 ILE A 98 -5.685 -2.943 -1.754 1.00 0.00 H new ATOM 0 HG22 ILE A 98 -4.485 -2.318 -2.911 1.00 0.00 H new ATOM 0 HG23 ILE A 98 -5.032 -4.008 -3.022 1.00 0.00 H new ATOM 0 HD11 ILE A 98 -5.478 -5.167 1.116 1.00 0.00 H new ATOM 0 HD12 ILE A 98 -4.837 -3.507 1.094 1.00 0.00 H new ATOM 0 HD13 ILE A 98 -6.066 -4.002 -0.094 1.00 0.00 H new ATOM 1549 N TYR A 99 -3.242 -5.280 -4.032 1.00 0.00 N ATOM 1550 CA TYR A 99 -3.422 -6.472 -4.842 1.00 0.00 C ATOM 1551 C TYR A 99 -2.074 -7.052 -5.273 1.00 0.00 C ATOM 1552 O TYR A 99 -1.832 -8.249 -5.124 1.00 0.00 O ATOM 1553 CB TYR A 99 -4.193 -6.025 -6.085 1.00 0.00 C ATOM 1554 CG TYR A 99 -4.332 -7.110 -7.155 1.00 0.00 C ATOM 1555 CD1 TYR A 99 -3.218 -7.549 -7.841 1.00 0.00 C ATOM 1556 CD2 TYR A 99 -5.571 -7.649 -7.434 1.00 0.00 C ATOM 1557 CE1 TYR A 99 -3.349 -8.571 -8.848 1.00 0.00 C ATOM 1558 CE2 TYR A 99 -5.702 -8.671 -8.440 1.00 0.00 C ATOM 1559 CZ TYR A 99 -4.584 -9.081 -9.098 1.00 0.00 C ATOM 1560 OH TYR A 99 -4.708 -10.045 -10.049 1.00 0.00 O ATOM 0 H TYR A 99 -3.722 -4.451 -4.381 1.00 0.00 H new ATOM 0 HA TYR A 99 -3.948 -7.242 -4.278 1.00 0.00 H new ATOM 0 HB2 TYR A 99 -5.188 -5.696 -5.784 1.00 0.00 H new ATOM 0 HB3 TYR A 99 -3.690 -5.162 -6.521 1.00 0.00 H new ATOM 0 HD1 TYR A 99 -2.248 -7.127 -7.623 1.00 0.00 H new ATOM 0 HD2 TYR A 99 -6.443 -7.304 -6.898 1.00 0.00 H new ATOM 0 HE1 TYR A 99 -2.485 -8.924 -9.392 1.00 0.00 H new ATOM 0 HE2 TYR A 99 -6.666 -9.102 -8.667 1.00 0.00 H new ATOM 0 HH TYR A 99 -5.647 -10.316 -10.119 1.00 0.00 H new ATOM 1570 N VAL A 100 -1.230 -6.175 -5.798 1.00 0.00 N ATOM 1571 CA VAL A 100 0.088 -6.585 -6.252 1.00 0.00 C ATOM 1572 C VAL A 100 0.937 -6.985 -5.044 1.00 0.00 C ATOM 1573 O VAL A 100 1.842 -7.810 -5.163 1.00 0.00 O ATOM 1574 CB VAL A 100 0.724 -5.471 -7.086 1.00 0.00 C ATOM 1575 CG1 VAL A 100 2.002 -5.959 -7.770 1.00 0.00 C ATOM 1576 CG2 VAL A 100 -0.269 -4.918 -8.111 1.00 0.00 C ATOM 0 H VAL A 100 -1.433 -5.183 -5.919 1.00 0.00 H new ATOM 0 HA VAL A 100 0.014 -7.458 -6.901 1.00 0.00 H new ATOM 0 HB VAL A 100 0.995 -4.660 -6.410 1.00 0.00 H new ATOM 0 HG11 VAL A 100 2.434 -5.148 -8.356 1.00 0.00 H new ATOM 0 HG12 VAL A 100 2.718 -6.282 -7.015 1.00 0.00 H new ATOM 0 HG13 VAL A 100 1.766 -6.796 -8.427 1.00 0.00 H new ATOM 0 HG21 VAL A 100 0.208 -4.128 -8.690 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.585 -5.718 -8.780 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.139 -4.514 -7.593 1.00 0.00 H new ATOM 1586 N LEU A 101 0.615 -6.383 -3.909 1.00 0.00 N ATOM 1587 CA LEU A 101 1.337 -6.667 -2.680 1.00 0.00 C ATOM 1588 C LEU A 101 1.107 -8.127 -2.284 1.00 0.00 C ATOM 1589 O LEU A 101 1.982 -8.759 -1.695 1.00 0.00 O ATOM 1590 CB LEU A 101 0.951 -5.666 -1.589 1.00 0.00 C ATOM 1591 CG LEU A 101 1.207 -6.113 -0.148 1.00 0.00 C ATOM 1592 CD1 LEU A 101 2.468 -5.455 0.414 1.00 0.00 C ATOM 1593 CD2 LEU A 101 -0.017 -5.851 0.732 1.00 0.00 C ATOM 0 H LEU A 101 -0.136 -5.700 -3.814 1.00 0.00 H new ATOM 0 HA LEU A 101 2.409 -6.542 -2.830 1.00 0.00 H new ATOM 0 HB2 LEU A 101 1.498 -4.739 -1.764 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -0.109 -5.435 -1.694 1.00 0.00 H new ATOM 0 HG LEU A 101 1.379 -7.189 -0.149 1.00 0.00 H new ATOM 0 HD11 LEU A 101 2.627 -5.790 1.439 1.00 0.00 H new ATOM 0 HD12 LEU A 101 3.327 -5.734 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.350 -4.371 0.400 1.00 0.00 H new ATOM 0 HD21 LEU A 101 0.191 -6.178 1.751 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -0.244 -4.785 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -0.871 -6.404 0.341 1.00 0.00 H new ATOM 1605 N LEU A 102 -0.075 -8.620 -2.624 1.00 0.00 N ATOM 1606 CA LEU A 102 -0.431 -9.993 -2.311 1.00 0.00 C ATOM 1607 C LEU A 102 0.225 -10.930 -3.328 1.00 0.00 C ATOM 1608 O LEU A 102 0.604 -12.050 -2.990 1.00 0.00 O ATOM 1609 CB LEU A 102 -1.951 -10.147 -2.226 1.00 0.00 C ATOM 1610 CG LEU A 102 -2.628 -9.464 -1.036 1.00 0.00 C ATOM 1611 CD1 LEU A 102 -1.592 -8.970 -0.024 1.00 0.00 C ATOM 1612 CD2 LEU A 102 -3.554 -8.339 -1.503 1.00 0.00 C ATOM 0 H LEU A 102 -0.798 -8.093 -3.113 1.00 0.00 H new ATOM 0 HA LEU A 102 -0.050 -10.270 -1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -2.388 -9.752 -3.143 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -2.187 -11.211 -2.192 1.00 0.00 H new ATOM 0 HG LEU A 102 -3.248 -10.202 -0.527 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -2.100 -8.489 0.812 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -1.010 -9.815 0.343 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -0.926 -8.253 -0.505 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -4.022 -7.870 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -2.975 -7.595 -2.050 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -4.325 -8.749 -2.155 1.00 0.00 H new ATOM 1624 N ARG A 103 0.340 -10.435 -4.552 1.00 0.00 N ATOM 1625 CA ARG A 103 0.944 -11.214 -5.620 1.00 0.00 C ATOM 1626 C ARG A 103 2.325 -11.717 -5.194 1.00 0.00 C ATOM 1627 O ARG A 103 2.582 -12.919 -5.206 1.00 0.00 O ATOM 1628 CB ARG A 103 1.082 -10.383 -6.897 1.00 0.00 C ATOM 1629 CG ARG A 103 -0.288 -9.944 -7.416 1.00 0.00 C ATOM 1630 CD ARG A 103 -1.079 -11.138 -7.954 1.00 0.00 C ATOM 1631 NE ARG A 103 -0.158 -12.119 -8.571 1.00 0.00 N ATOM 1632 CZ ARG A 103 0.048 -13.356 -8.099 1.00 0.00 C ATOM 1633 NH1 ARG A 103 -0.600 -13.771 -7.003 1.00 0.00 N ATOM 1634 NH2 ARG A 103 0.903 -14.177 -8.724 1.00 0.00 N ATOM 0 H ARG A 103 0.025 -9.505 -4.828 1.00 0.00 H new ATOM 0 HA ARG A 103 0.291 -12.063 -5.822 1.00 0.00 H new ATOM 0 HB2 ARG A 103 1.698 -9.506 -6.699 1.00 0.00 H new ATOM 0 HB3 ARG A 103 1.594 -10.967 -7.662 1.00 0.00 H new ATOM 0 HG2 ARG A 103 -0.848 -9.464 -6.613 1.00 0.00 H new ATOM 0 HG3 ARG A 103 -0.161 -9.202 -8.204 1.00 0.00 H new ATOM 0 HD2 ARG A 103 -1.637 -11.609 -7.145 1.00 0.00 H new ATOM 0 HD3 ARG A 103 -1.809 -10.800 -8.689 1.00 0.00 H new ATOM 0 HE ARG A 103 0.352 -11.836 -9.408 1.00 0.00 H new ATOM 0 HH11 ARG A 103 -1.250 -13.145 -6.528 1.00 0.00 H new ATOM 0 HH12 ARG A 103 -0.443 -14.713 -6.644 1.00 0.00 H new ATOM 0 HH21 ARG A 103 1.397 -13.860 -9.559 1.00 0.00 H new ATOM 0 HH22 ARG A 103 1.060 -15.119 -8.365 1.00 0.00 H new ATOM 1648 N ARG A 104 3.177 -10.770 -4.828 1.00 0.00 N ATOM 1649 CA ARG A 104 4.525 -11.102 -4.400 1.00 0.00 C ATOM 1650 C ARG A 104 4.491 -11.826 -3.052 1.00 0.00 C ATOM 1651 O ARG A 104 5.103 -12.881 -2.894 1.00 0.00 O ATOM 1652 CB ARG A 104 5.388 -9.845 -4.274 1.00 0.00 C ATOM 1653 CG ARG A 104 4.823 -8.896 -3.216 1.00 0.00 C ATOM 1654 CD ARG A 104 5.456 -7.507 -3.331 1.00 0.00 C ATOM 1655 NE ARG A 104 6.907 -7.587 -3.051 1.00 0.00 N ATOM 1656 CZ ARG A 104 7.738 -6.537 -3.083 1.00 0.00 C ATOM 1657 NH1 ARG A 104 7.266 -5.319 -3.385 1.00 0.00 N ATOM 1658 NH2 ARG A 104 9.040 -6.703 -2.815 1.00 0.00 N ATOM 0 H ARG A 104 2.960 -9.773 -4.819 1.00 0.00 H new ATOM 0 HA ARG A 104 4.962 -11.755 -5.156 1.00 0.00 H new ATOM 0 HB2 ARG A 104 6.408 -10.125 -4.009 1.00 0.00 H new ATOM 0 HB3 ARG A 104 5.437 -9.335 -5.236 1.00 0.00 H new ATOM 0 HG2 ARG A 104 3.742 -8.818 -3.333 1.00 0.00 H new ATOM 0 HG3 ARG A 104 5.008 -9.303 -2.222 1.00 0.00 H new ATOM 0 HD2 ARG A 104 5.292 -7.105 -4.331 1.00 0.00 H new ATOM 0 HD3 ARG A 104 4.979 -6.822 -2.630 1.00 0.00 H new ATOM 0 HE ARG A 104 7.299 -8.500 -2.819 1.00 0.00 H new ATOM 0 HH11 ARG A 104 6.275 -5.193 -3.590 1.00 0.00 H new ATOM 0 HH12 ARG A 104 7.898 -4.519 -3.410 1.00 0.00 H new ATOM 0 HH21 ARG A 104 9.399 -7.630 -2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 104 9.672 -5.903 -2.840 1.00 0.00 H new ATOM 1672 N GLN A 105 3.769 -11.229 -2.115 1.00 0.00 N ATOM 1673 CA GLN A 105 3.647 -11.803 -0.786 1.00 0.00 C ATOM 1674 C GLN A 105 3.472 -13.321 -0.877 1.00 0.00 C ATOM 1675 O GLN A 105 4.012 -14.062 -0.057 1.00 0.00 O ATOM 1676 CB GLN A 105 2.490 -11.163 -0.016 1.00 0.00 C ATOM 1677 CG GLN A 105 2.985 -10.008 0.857 1.00 0.00 C ATOM 1678 CD GLN A 105 2.472 -10.145 2.291 1.00 0.00 C ATOM 1679 OE1 GLN A 105 2.441 -11.220 2.867 1.00 0.00 O ATOM 1680 NE2 GLN A 105 2.071 -8.999 2.834 1.00 0.00 N ATOM 0 H GLN A 105 3.263 -10.354 -2.250 1.00 0.00 H new ATOM 0 HA GLN A 105 4.565 -11.595 -0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 105 1.740 -10.798 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 105 2.005 -11.913 0.608 1.00 0.00 H new ATOM 0 HG2 GLN A 105 4.075 -9.989 0.857 1.00 0.00 H new ATOM 0 HG3 GLN A 105 2.650 -9.060 0.436 1.00 0.00 H new ATOM 0 HE21 GLN A 105 2.124 -8.134 2.296 1.00 0.00 H new ATOM 0 HE22 GLN A 105 1.711 -8.985 3.788 1.00 0.00 H new