USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 683 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 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.198 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -1.87 K(o=-1.9,f=-5.4!) USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 TYR OH : rot 121:sc= 1.06 USER MOD Single : A 46 HIS : no HD1:sc= -3.68! C(o=-3.7!,f=-3.5!) USER MOD Single : A 54 CYS SG : rot -158:sc= -6.98! USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.193 K(o=-0.19,f=-0.86) USER MOD Single : A 68 SER OG : rot 180:sc= -0.0992 USER MOD Single : A 70 ASN :FLIP amide:sc= -4.43! C(o=-6.9!,f=-4.4!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -143:sc= -2.04 (180deg=-4.8!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 2:sc= 0.816 USER MOD ----------------------------------------------------------------- ATOM 146 N ASP A 13 7.403 9.313 -6.996 1.00 0.00 N ATOM 147 CA ASP A 13 8.749 9.491 -6.461 1.00 0.00 C ATOM 148 C ASP A 13 9.762 8.676 -7.258 1.00 0.00 C ATOM 149 O ASP A 13 9.421 7.704 -7.932 1.00 0.00 O ATOM 150 CB ASP A 13 8.793 9.084 -4.988 1.00 0.00 C ATOM 151 CG ASP A 13 8.703 10.275 -4.055 1.00 0.00 C ATOM 152 OD1 ASP A 13 7.661 10.963 -4.070 1.00 0.00 O ATOM 153 OD2 ASP A 13 9.675 10.520 -3.309 1.00 0.00 O ATOM 0 HA ASP A 13 9.011 10.546 -6.546 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.971 8.399 -4.779 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.718 8.541 -4.792 1.00 0.00 H new ATOM 158 N PRO A 14 11.039 9.081 -7.182 1.00 0.00 N ATOM 159 CA PRO A 14 12.128 8.402 -7.890 1.00 0.00 C ATOM 160 C PRO A 14 12.427 7.024 -7.309 1.00 0.00 C ATOM 161 O PRO A 14 12.931 6.143 -8.005 1.00 0.00 O ATOM 162 CB PRO A 14 13.322 9.339 -7.686 1.00 0.00 C ATOM 163 CG PRO A 14 13.013 10.078 -6.430 1.00 0.00 C ATOM 164 CD PRO A 14 11.517 10.231 -6.397 1.00 0.00 C ATOM 0 HA PRO A 14 11.884 8.222 -8.937 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.253 8.780 -7.597 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.438 10.021 -8.528 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.369 9.530 -5.557 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.505 11.051 -6.418 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.133 10.209 -5.377 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.200 11.177 -6.836 1.00 0.00 H new ATOM 172 N ALA A 15 12.114 6.845 -6.030 1.00 0.00 N ATOM 173 CA ALA A 15 12.347 5.574 -5.357 1.00 0.00 C ATOM 174 C ALA A 15 11.088 4.712 -5.360 1.00 0.00 C ATOM 175 O ALA A 15 10.938 3.813 -4.533 1.00 0.00 O ATOM 176 CB ALA A 15 12.824 5.810 -3.932 1.00 0.00 C ATOM 0 H ALA A 15 11.698 7.565 -5.439 1.00 0.00 H new ATOM 0 HA ALA A 15 13.123 5.039 -5.904 1.00 0.00 H new ATOM 0 HB1 ALA A 15 12.994 4.851 -3.442 1.00 0.00 H new ATOM 0 HB2 ALA A 15 13.754 6.379 -3.949 1.00 0.00 H new ATOM 0 HB3 ALA A 15 12.067 6.369 -3.383 1.00 0.00 H new ATOM 182 N PHE A 16 10.186 4.994 -6.294 1.00 0.00 N ATOM 183 CA PHE A 16 8.939 4.246 -6.403 1.00 0.00 C ATOM 184 C PHE A 16 9.199 2.824 -6.894 1.00 0.00 C ATOM 185 O PHE A 16 9.623 2.617 -8.031 1.00 0.00 O ATOM 186 CB PHE A 16 7.974 4.957 -7.353 1.00 0.00 C ATOM 187 CG PHE A 16 6.850 4.083 -7.831 1.00 0.00 C ATOM 188 CD1 PHE A 16 6.068 3.381 -6.928 1.00 0.00 C ATOM 189 CD2 PHE A 16 6.575 3.964 -9.184 1.00 0.00 C ATOM 190 CE1 PHE A 16 5.034 2.576 -7.366 1.00 0.00 C ATOM 191 CE2 PHE A 16 5.542 3.160 -9.628 1.00 0.00 C ATOM 192 CZ PHE A 16 4.770 2.466 -8.718 1.00 0.00 C ATOM 0 H PHE A 16 10.295 5.735 -6.986 1.00 0.00 H new ATOM 0 HA PHE A 16 8.489 4.193 -5.412 1.00 0.00 H new ATOM 0 HB2 PHE A 16 7.557 5.829 -6.849 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.530 5.324 -8.216 1.00 0.00 H new ATOM 0 HD1 PHE A 16 6.269 3.464 -5.870 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.175 4.506 -9.900 1.00 0.00 H new ATOM 0 HE1 PHE A 16 4.432 2.033 -6.652 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.339 3.075 -10.685 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.961 1.838 -9.062 1.00 0.00 H new ATOM 202 N ARG A 17 8.942 1.849 -6.028 1.00 0.00 N ATOM 203 CA ARG A 17 9.149 0.448 -6.373 1.00 0.00 C ATOM 204 C ARG A 17 7.827 -0.314 -6.368 1.00 0.00 C ATOM 205 O ARG A 17 6.900 0.034 -5.637 1.00 0.00 O ATOM 206 CB ARG A 17 10.127 -0.201 -5.392 1.00 0.00 C ATOM 207 CG ARG A 17 11.558 -0.251 -5.903 1.00 0.00 C ATOM 208 CD ARG A 17 12.042 -1.683 -6.066 1.00 0.00 C ATOM 209 NE ARG A 17 13.481 -1.751 -6.306 1.00 0.00 N ATOM 210 CZ ARG A 17 14.394 -1.527 -5.367 1.00 0.00 C ATOM 211 NH1 ARG A 17 14.019 -1.223 -4.132 1.00 0.00 N ATOM 212 NH2 ARG A 17 15.685 -1.608 -5.663 1.00 0.00 N ATOM 0 H ARG A 17 8.590 2.004 -5.083 1.00 0.00 H new ATOM 0 HA ARG A 17 9.570 0.405 -7.378 1.00 0.00 H new ATOM 0 HB2 ARG A 17 10.105 0.350 -4.452 1.00 0.00 H new ATOM 0 HB3 ARG A 17 9.792 -1.215 -5.175 1.00 0.00 H new ATOM 0 HG2 ARG A 17 11.622 0.267 -6.860 1.00 0.00 H new ATOM 0 HG3 ARG A 17 12.212 0.278 -5.210 1.00 0.00 H new ATOM 0 HD2 ARG A 17 11.797 -2.253 -5.170 1.00 0.00 H new ATOM 0 HD3 ARG A 17 11.514 -2.152 -6.896 1.00 0.00 H new ATOM 0 HE ARG A 17 13.803 -1.983 -7.246 1.00 0.00 H new ATOM 0 HH11 ARG A 17 13.027 -1.161 -3.901 1.00 0.00 H new ATOM 0 HH12 ARG A 17 14.722 -1.052 -3.413 1.00 0.00 H new ATOM 0 HH21 ARG A 17 15.977 -1.842 -6.612 1.00 0.00 H new ATOM 0 HH22 ARG A 17 16.385 -1.436 -4.942 1.00 0.00 H new ATOM 226 N VAL A 18 7.748 -1.356 -7.189 1.00 0.00 N ATOM 227 CA VAL A 18 6.540 -2.168 -7.280 1.00 0.00 C ATOM 228 C VAL A 18 6.873 -3.655 -7.236 1.00 0.00 C ATOM 229 O VAL A 18 7.665 -4.148 -8.039 1.00 0.00 O ATOM 230 CB VAL A 18 5.756 -1.867 -8.571 1.00 0.00 C ATOM 231 CG1 VAL A 18 4.500 -2.721 -8.645 1.00 0.00 C ATOM 232 CG2 VAL A 18 5.411 -0.388 -8.651 1.00 0.00 C ATOM 0 H VAL A 18 8.506 -1.658 -7.801 1.00 0.00 H new ATOM 0 HA VAL A 18 5.921 -1.911 -6.420 1.00 0.00 H new ATOM 0 HB VAL A 18 6.386 -2.117 -9.425 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.959 -2.494 -9.564 1.00 0.00 H new ATOM 0 HG12 VAL A 18 4.776 -3.775 -8.637 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.863 -2.506 -7.787 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.857 -0.193 -9.569 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.800 -0.110 -7.792 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.329 0.200 -8.649 1.00 0.00 H new ATOM 242 N ILE A 19 6.263 -4.365 -6.292 1.00 0.00 N ATOM 243 CA ILE A 19 6.494 -5.797 -6.145 1.00 0.00 C ATOM 244 C ILE A 19 5.177 -6.559 -6.049 1.00 0.00 C ATOM 245 O ILE A 19 4.103 -5.960 -5.976 1.00 0.00 O ATOM 246 CB ILE A 19 7.344 -6.104 -4.898 1.00 0.00 C ATOM 247 CG1 ILE A 19 6.518 -5.897 -3.627 1.00 0.00 C ATOM 248 CG2 ILE A 19 8.588 -5.229 -4.876 1.00 0.00 C ATOM 249 CD1 ILE A 19 7.327 -6.016 -2.354 1.00 0.00 C ATOM 0 H ILE A 19 5.606 -3.972 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 19 7.035 -6.123 -7.033 1.00 0.00 H new ATOM 0 HB ILE A 19 7.658 -7.147 -4.939 1.00 0.00 H new ATOM 0 HG12 ILE A 19 6.053 -4.912 -3.662 1.00 0.00 H new ATOM 0 HG13 ILE A 19 5.711 -6.629 -3.605 1.00 0.00 H new ATOM 0 HG21 ILE A 19 9.178 -5.458 -3.989 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.184 -5.422 -5.768 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.294 -4.180 -4.856 1.00 0.00 H new ATOM 0 HD11 ILE A 19 6.677 -5.858 -1.494 1.00 0.00 H new ATOM 0 HD12 ILE A 19 7.770 -7.010 -2.296 1.00 0.00 H new ATOM 0 HD13 ILE A 19 8.118 -5.266 -2.354 1.00 0.00 H new ATOM 261 N THR A 20 5.266 -7.885 -6.047 1.00 0.00 N ATOM 262 CA THR A 20 4.082 -8.731 -5.959 1.00 0.00 C ATOM 263 C THR A 20 4.214 -9.748 -4.831 1.00 0.00 C ATOM 264 O THR A 20 5.166 -10.528 -4.795 1.00 0.00 O ATOM 265 CB THR A 20 3.825 -9.478 -7.281 1.00 0.00 C ATOM 266 OG1 THR A 20 4.719 -9.002 -8.294 1.00 0.00 O ATOM 267 CG2 THR A 20 2.387 -9.290 -7.739 1.00 0.00 C ATOM 0 H THR A 20 6.146 -8.397 -6.105 1.00 0.00 H new ATOM 0 HA THR A 20 3.239 -8.072 -5.753 1.00 0.00 H new ATOM 0 HB THR A 20 4.000 -10.541 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 20 4.551 -9.483 -9.131 1.00 0.00 H new ATOM 0 HG21 THR A 20 2.230 -9.827 -8.675 1.00 0.00 H new ATOM 0 HG22 THR A 20 1.709 -9.679 -6.979 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.190 -8.229 -7.892 1.00 0.00 H new ATOM 275 N VAL A 21 3.254 -9.734 -3.912 1.00 0.00 N ATOM 276 CA VAL A 21 3.263 -10.657 -2.783 1.00 0.00 C ATOM 277 C VAL A 21 2.353 -11.852 -3.043 1.00 0.00 C ATOM 278 O VAL A 21 1.195 -11.692 -3.432 1.00 0.00 O ATOM 279 CB VAL A 21 2.818 -9.959 -1.484 1.00 0.00 C ATOM 280 CG1 VAL A 21 2.596 -10.980 -0.379 1.00 0.00 C ATOM 281 CG2 VAL A 21 3.843 -8.917 -1.062 1.00 0.00 C ATOM 0 H VAL A 21 2.460 -9.094 -3.927 1.00 0.00 H new ATOM 0 HA VAL A 21 4.289 -11.005 -2.666 1.00 0.00 H new ATOM 0 HB VAL A 21 1.872 -9.450 -1.670 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.282 -10.469 0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.822 -11.685 -0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.524 -11.520 -0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.513 -8.433 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.805 -9.401 -0.892 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.947 -8.169 -1.848 1.00 0.00 H new ATOM 291 N THR A 22 2.883 -13.051 -2.825 1.00 0.00 N ATOM 292 CA THR A 22 2.119 -14.274 -3.037 1.00 0.00 C ATOM 293 C THR A 22 0.767 -14.205 -2.337 1.00 0.00 C ATOM 294 O THR A 22 0.694 -14.061 -1.116 1.00 0.00 O ATOM 295 CB THR A 22 2.885 -15.510 -2.528 1.00 0.00 C ATOM 296 OG1 THR A 22 4.185 -15.561 -3.127 1.00 0.00 O ATOM 297 CG2 THR A 22 2.124 -16.788 -2.846 1.00 0.00 C ATOM 0 H THR A 22 3.839 -13.201 -2.502 1.00 0.00 H new ATOM 0 HA THR A 22 1.965 -14.368 -4.112 1.00 0.00 H new ATOM 0 HB THR A 22 2.987 -15.427 -1.446 1.00 0.00 H new ATOM 0 HG1 THR A 22 4.666 -16.348 -2.797 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.685 -17.647 -2.477 1.00 0.00 H new ATOM 0 HG22 THR A 22 1.146 -16.759 -2.365 1.00 0.00 H new ATOM 0 HG23 THR A 22 1.995 -16.876 -3.925 1.00 0.00 H new ATOM 305 N LYS A 23 -0.304 -14.310 -3.117 1.00 0.00 N ATOM 306 CA LYS A 23 -1.655 -14.262 -2.573 1.00 0.00 C ATOM 307 C LYS A 23 -2.126 -15.654 -2.162 1.00 0.00 C ATOM 308 O LYS A 23 -2.107 -16.587 -2.964 1.00 0.00 O ATOM 309 CB LYS A 23 -2.621 -13.668 -3.601 1.00 0.00 C ATOM 310 CG LYS A 23 -4.082 -13.791 -3.205 1.00 0.00 C ATOM 311 CD LYS A 23 -4.986 -13.860 -4.424 1.00 0.00 C ATOM 312 CE LYS A 23 -5.763 -12.566 -4.617 1.00 0.00 C ATOM 313 NZ LYS A 23 -6.617 -12.608 -5.835 1.00 0.00 N ATOM 0 H LYS A 23 -0.262 -14.429 -4.129 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.641 -13.626 -1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -2.380 -12.615 -3.747 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.470 -14.165 -4.559 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.221 -14.685 -2.597 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.366 -12.938 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -4.386 -14.061 -5.312 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.683 -14.691 -4.315 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.387 -12.383 -3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -5.066 -11.731 -4.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -7.130 -11.708 -5.931 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -6.019 -12.757 -6.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -7.300 -13.388 -5.754 1.00 0.00 H new ATOM 327 N GLU A 24 -2.550 -15.784 -0.909 1.00 0.00 N ATOM 328 CA GLU A 24 -3.027 -17.062 -0.393 1.00 0.00 C ATOM 329 C GLU A 24 -4.251 -16.868 0.497 1.00 0.00 C ATOM 330 O GLU A 24 -5.316 -17.430 0.240 1.00 0.00 O ATOM 331 CB GLU A 24 -1.919 -17.766 0.392 1.00 0.00 C ATOM 332 CG GLU A 24 -2.195 -19.238 0.649 1.00 0.00 C ATOM 333 CD GLU A 24 -1.374 -20.150 -0.241 1.00 0.00 C ATOM 334 OE1 GLU A 24 -1.294 -19.878 -1.457 1.00 0.00 O ATOM 335 OE2 GLU A 24 -0.811 -21.136 0.279 1.00 0.00 O ATOM 0 H GLU A 24 -2.573 -15.021 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 24 -3.312 -17.683 -1.242 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.981 -17.671 -0.155 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.783 -17.258 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -1.981 -19.467 1.693 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -3.254 -19.438 0.489 1.00 0.00 H new ATOM 342 N THR A 25 -4.092 -16.067 1.546 1.00 0.00 N ATOM 343 CA THR A 25 -5.182 -15.799 2.475 1.00 0.00 C ATOM 344 C THR A 25 -5.808 -14.434 2.210 1.00 0.00 C ATOM 345 O THR A 25 -7.021 -14.319 2.041 1.00 0.00 O ATOM 346 CB THR A 25 -4.700 -15.854 3.937 1.00 0.00 C ATOM 347 OG1 THR A 25 -3.693 -14.861 4.159 1.00 0.00 O ATOM 348 CG2 THR A 25 -4.145 -17.230 4.272 1.00 0.00 C ATOM 0 H THR A 25 -3.218 -15.593 1.773 1.00 0.00 H new ATOM 0 HA THR A 25 -5.930 -16.576 2.317 1.00 0.00 H new ATOM 0 HB THR A 25 -5.554 -15.656 4.585 1.00 0.00 H new ATOM 0 HG1 THR A 25 -3.393 -14.902 5.091 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.811 -17.245 5.309 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.923 -17.980 4.131 1.00 0.00 H new ATOM 0 HG23 THR A 25 -3.303 -17.452 3.616 1.00 0.00 H new ATOM 356 N GLY A 26 -4.971 -13.401 2.173 1.00 0.00 N ATOM 357 CA GLY A 26 -5.462 -12.058 1.927 1.00 0.00 C ATOM 358 C GLY A 26 -4.428 -10.996 2.245 1.00 0.00 C ATOM 359 O GLY A 26 -3.360 -11.299 2.779 1.00 0.00 O ATOM 0 H GLY A 26 -3.963 -13.471 2.309 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -5.760 -11.969 0.882 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -6.354 -11.884 2.529 1.00 0.00 H new ATOM 363 N LEU A 27 -4.743 -9.748 1.915 1.00 0.00 N ATOM 364 CA LEU A 27 -3.832 -8.637 2.167 1.00 0.00 C ATOM 365 C LEU A 27 -3.392 -8.615 3.628 1.00 0.00 C ATOM 366 O LEU A 27 -2.229 -8.869 3.940 1.00 0.00 O ATOM 367 CB LEU A 27 -4.502 -7.310 1.805 1.00 0.00 C ATOM 368 CG LEU A 27 -4.085 -6.690 0.471 1.00 0.00 C ATOM 369 CD1 LEU A 27 -2.642 -6.214 0.532 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.272 -7.688 -0.663 1.00 0.00 C ATOM 0 H LEU A 27 -5.622 -9.480 1.472 1.00 0.00 H new ATOM 0 HA LEU A 27 -2.949 -8.774 1.542 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -5.581 -7.463 1.790 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -4.293 -6.592 2.598 1.00 0.00 H new ATOM 0 HG LEU A 27 -4.723 -5.828 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.363 -5.776 -0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.539 -5.465 1.317 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.989 -7.059 0.748 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.970 -7.229 -1.605 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.659 -8.570 -0.476 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.320 -7.980 -0.721 1.00 0.00 H new ATOM 382 N GLY A 28 -4.330 -8.310 4.519 1.00 0.00 N ATOM 383 CA GLY A 28 -4.019 -8.263 5.936 1.00 0.00 C ATOM 384 C GLY A 28 -3.000 -7.192 6.270 1.00 0.00 C ATOM 385 O GLY A 28 -1.996 -7.464 6.931 1.00 0.00 O ATOM 0 H GLY A 28 -5.299 -8.095 4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -4.934 -8.079 6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -3.639 -9.234 6.254 1.00 0.00 H new ATOM 389 N LEU A 29 -3.254 -5.971 5.813 1.00 0.00 N ATOM 390 CA LEU A 29 -2.350 -4.855 6.066 1.00 0.00 C ATOM 391 C LEU A 29 -3.128 -3.597 6.437 1.00 0.00 C ATOM 392 O LEU A 29 -4.137 -3.270 5.811 1.00 0.00 O ATOM 393 CB LEU A 29 -1.482 -4.588 4.835 1.00 0.00 C ATOM 394 CG LEU A 29 -0.719 -5.790 4.277 1.00 0.00 C ATOM 395 CD1 LEU A 29 -0.060 -5.437 2.953 1.00 0.00 C ATOM 396 CD2 LEU A 29 0.318 -6.275 5.279 1.00 0.00 C ATOM 0 H LEU A 29 -4.079 -5.729 5.265 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.708 -5.122 6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.119 -4.189 4.046 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -0.761 -3.810 5.086 1.00 0.00 H new ATOM 0 HG LEU A 29 -1.430 -6.597 4.101 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.478 -6.305 2.572 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.824 -5.139 2.235 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.639 -4.614 3.102 1.00 0.00 H new ATOM 0 HD21 LEU A 29 0.851 -7.131 4.865 1.00 0.00 H new ATOM 0 HD22 LEU A 29 1.026 -5.473 5.487 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.179 -6.570 6.203 1.00 0.00 H new ATOM 408 N LYS A 30 -2.652 -2.892 7.457 1.00 0.00 N ATOM 409 CA LYS A 30 -3.299 -1.667 7.910 1.00 0.00 C ATOM 410 C LYS A 30 -2.629 -0.440 7.301 1.00 0.00 C ATOM 411 O LYS A 30 -1.414 -0.418 7.105 1.00 0.00 O ATOM 412 CB LYS A 30 -3.257 -1.578 9.438 1.00 0.00 C ATOM 413 CG LYS A 30 -3.975 -2.721 10.133 1.00 0.00 C ATOM 414 CD LYS A 30 -3.733 -2.702 11.633 1.00 0.00 C ATOM 415 CE LYS A 30 -4.803 -3.482 12.381 1.00 0.00 C ATOM 416 NZ LYS A 30 -5.782 -2.580 13.048 1.00 0.00 N ATOM 0 H LYS A 30 -1.819 -3.149 7.987 1.00 0.00 H new ATOM 0 HA LYS A 30 -4.338 -1.692 7.582 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -2.217 -1.561 9.764 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -3.705 -0.635 9.751 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.045 -2.654 9.935 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -3.634 -3.671 9.721 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -2.753 -3.127 11.850 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -3.718 -1.671 11.987 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.328 -4.137 11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.331 -4.122 13.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.495 -3.150 13.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.285 -1.972 13.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.251 -1.987 12.333 1.00 0.00 H new ATOM 430 N ILE A 31 -3.429 0.579 7.004 1.00 0.00 N ATOM 431 CA ILE A 31 -2.912 1.810 6.419 1.00 0.00 C ATOM 432 C ILE A 31 -3.065 2.983 7.382 1.00 0.00 C ATOM 433 O ILE A 31 -3.844 2.921 8.335 1.00 0.00 O ATOM 434 CB ILE A 31 -3.627 2.149 5.098 1.00 0.00 C ATOM 435 CG1 ILE A 31 -5.106 2.447 5.354 1.00 0.00 C ATOM 436 CG2 ILE A 31 -3.476 1.006 4.106 1.00 0.00 C ATOM 437 CD1 ILE A 31 -5.626 3.637 4.579 1.00 0.00 C ATOM 0 H ILE A 31 -4.437 0.576 7.159 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.854 1.643 6.218 1.00 0.00 H new ATOM 0 HB ILE A 31 -3.165 3.039 4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -5.696 1.568 5.093 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -5.253 2.625 6.419 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -3.987 1.260 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.418 0.837 3.904 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -3.915 0.100 4.525 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -6.680 3.789 4.810 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -5.062 4.527 4.857 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -5.511 3.454 3.511 1.00 0.00 H new ATOM 449 N LEU A 32 -2.319 4.052 7.127 1.00 0.00 N ATOM 450 CA LEU A 32 -2.373 5.241 7.971 1.00 0.00 C ATOM 451 C LEU A 32 -2.490 6.504 7.124 1.00 0.00 C ATOM 452 O LEU A 32 -2.297 6.470 5.909 1.00 0.00 O ATOM 453 CB LEU A 32 -1.127 5.320 8.855 1.00 0.00 C ATOM 454 CG LEU A 32 -1.328 4.971 10.330 1.00 0.00 C ATOM 455 CD1 LEU A 32 0.004 4.969 11.064 1.00 0.00 C ATOM 456 CD2 LEU A 32 -2.296 5.947 10.982 1.00 0.00 C ATOM 0 H LEU A 32 -1.670 4.120 6.343 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.257 5.167 8.605 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.371 4.651 8.444 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.725 6.331 8.793 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.756 3.970 10.392 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.159 4.719 12.112 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.667 4.230 10.613 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.460 5.957 10.993 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.427 5.683 12.031 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -1.897 6.959 10.909 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.259 5.899 10.473 1.00 0.00 H new ATOM 468 N GLY A 33 -2.805 7.620 7.774 1.00 0.00 N ATOM 469 CA GLY A 33 -2.941 8.879 7.065 1.00 0.00 C ATOM 470 C GLY A 33 -4.320 9.061 6.465 1.00 0.00 C ATOM 471 O GLY A 33 -5.291 8.462 6.928 1.00 0.00 O ATOM 0 H GLY A 33 -2.969 7.675 8.779 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -2.735 9.702 7.749 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -2.194 8.929 6.273 1.00 0.00 H new ATOM 475 N GLY A 34 -4.410 9.893 5.431 1.00 0.00 N ATOM 476 CA GLY A 34 -5.685 10.139 4.785 1.00 0.00 C ATOM 477 C GLY A 34 -5.972 11.617 4.611 1.00 0.00 C ATOM 478 O GLY A 34 -5.818 12.400 5.549 1.00 0.00 O ATOM 0 H GLY A 34 -3.622 10.401 5.030 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -5.694 9.653 3.809 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.481 9.685 5.375 1.00 0.00 H new ATOM 482 N ILE A 35 -6.388 12.000 3.409 1.00 0.00 N ATOM 483 CA ILE A 35 -6.696 13.394 3.116 1.00 0.00 C ATOM 484 C ILE A 35 -7.502 14.028 4.245 1.00 0.00 C ATOM 485 O ILE A 35 -7.517 15.248 4.401 1.00 0.00 O ATOM 486 CB ILE A 35 -7.482 13.533 1.799 1.00 0.00 C ATOM 487 CG1 ILE A 35 -8.670 12.569 1.785 1.00 0.00 C ATOM 488 CG2 ILE A 35 -6.570 13.276 0.609 1.00 0.00 C ATOM 489 CD1 ILE A 35 -9.484 12.632 0.511 1.00 0.00 C ATOM 0 H ILE A 35 -6.520 11.364 2.622 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.743 13.913 3.017 1.00 0.00 H new ATOM 0 HB ILE A 35 -7.864 14.551 1.726 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.304 11.552 1.923 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -9.318 12.792 2.632 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.140 13.378 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.754 13.998 0.613 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.162 12.267 0.674 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -10.309 11.922 0.571 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -9.880 13.639 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.850 12.380 -0.339 1.00 0.00 H new ATOM 501 N ASN A 36 -8.170 13.189 5.031 1.00 0.00 N ATOM 502 CA ASN A 36 -8.978 13.668 6.147 1.00 0.00 C ATOM 503 C ASN A 36 -8.248 13.468 7.472 1.00 0.00 C ATOM 504 O ASN A 36 -8.491 14.187 8.441 1.00 0.00 O ATOM 505 CB ASN A 36 -10.323 12.940 6.179 1.00 0.00 C ATOM 506 CG ASN A 36 -10.235 11.591 6.866 1.00 0.00 C ATOM 507 OD1 ASN A 36 -10.125 11.511 8.089 1.00 0.00 O ATOM 508 ND2 ASN A 36 -10.282 10.522 6.079 1.00 0.00 N ATOM 0 H ASN A 36 -8.168 12.176 4.916 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.153 14.735 6.005 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -11.056 13.560 6.695 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -10.683 12.802 5.159 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -10.226 9.588 6.484 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.374 10.636 5.070 1.00 0.00 H new ATOM 515 N ARG A 37 -7.352 12.487 7.505 1.00 0.00 N ATOM 516 CA ARG A 37 -6.587 12.192 8.711 1.00 0.00 C ATOM 517 C ARG A 37 -5.424 13.167 8.868 1.00 0.00 C ATOM 518 O ARG A 37 -5.205 14.030 8.019 1.00 0.00 O ATOM 519 CB ARG A 37 -6.060 10.756 8.668 1.00 0.00 C ATOM 520 CG ARG A 37 -7.158 9.705 8.666 1.00 0.00 C ATOM 521 CD ARG A 37 -8.073 9.853 9.872 1.00 0.00 C ATOM 522 NE ARG A 37 -8.388 8.563 10.482 1.00 0.00 N ATOM 523 CZ ARG A 37 -9.060 8.433 11.620 1.00 0.00 C ATOM 524 NH1 ARG A 37 -9.486 9.508 12.269 1.00 0.00 N ATOM 525 NH2 ARG A 37 -9.308 7.226 12.111 1.00 0.00 N ATOM 0 H ARG A 37 -7.138 11.883 6.711 1.00 0.00 H new ATOM 0 HA ARG A 37 -7.251 12.303 9.569 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -5.446 10.630 7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.411 10.590 9.528 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -7.744 9.791 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -6.711 8.711 8.667 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -7.597 10.497 10.611 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -8.997 10.345 9.568 1.00 0.00 H new ATOM 0 HE ARG A 37 -8.075 7.716 10.008 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -9.298 10.438 11.894 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -10.002 9.405 13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -8.982 6.397 11.614 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -9.824 7.127 12.985 1.00 0.00 H new ATOM 539 N ASN A 38 -4.681 13.023 9.961 1.00 0.00 N ATOM 540 CA ASN A 38 -3.541 13.891 10.231 1.00 0.00 C ATOM 541 C ASN A 38 -2.264 13.316 9.626 1.00 0.00 C ATOM 542 O ASN A 38 -1.366 14.057 9.228 1.00 0.00 O ATOM 543 CB ASN A 38 -3.364 14.082 11.738 1.00 0.00 C ATOM 544 CG ASN A 38 -3.757 15.474 12.195 1.00 0.00 C ATOM 545 OD1 ASN A 38 -2.926 16.381 12.245 1.00 0.00 O ATOM 546 ND2 ASN A 38 -5.030 15.649 12.531 1.00 0.00 N ATOM 0 H ASN A 38 -4.848 12.313 10.674 1.00 0.00 H new ATOM 0 HA ASN A 38 -3.736 14.859 9.770 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -3.967 13.345 12.268 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -2.324 13.895 12.005 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -5.353 16.564 12.846 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -5.684 14.869 12.474 1.00 0.00 H new ATOM 553 N GLU A 39 -2.192 11.990 9.560 1.00 0.00 N ATOM 554 CA GLU A 39 -1.025 11.316 9.005 1.00 0.00 C ATOM 555 C GLU A 39 -0.991 11.450 7.485 1.00 0.00 C ATOM 556 O GLU A 39 -0.011 11.080 6.840 1.00 0.00 O ATOM 557 CB GLU A 39 -1.027 9.837 9.397 1.00 0.00 C ATOM 558 CG GLU A 39 -0.075 9.507 10.534 1.00 0.00 C ATOM 559 CD GLU A 39 1.377 9.746 10.167 1.00 0.00 C ATOM 560 OE1 GLU A 39 1.797 10.922 10.141 1.00 0.00 O ATOM 561 OE2 GLU A 39 2.093 8.757 9.906 1.00 0.00 O ATOM 0 H GLU A 39 -2.928 11.362 9.884 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.134 11.792 9.415 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -2.038 9.548 9.685 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.760 9.239 8.526 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.330 10.112 11.404 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.206 8.464 10.822 1.00 0.00 H new ATOM 568 N GLY A 40 -2.071 11.981 6.919 1.00 0.00 N ATOM 569 CA GLY A 40 -2.146 12.154 5.481 1.00 0.00 C ATOM 570 C GLY A 40 -1.378 13.370 5.002 1.00 0.00 C ATOM 571 O GLY A 40 -0.529 13.912 5.709 1.00 0.00 O ATOM 0 H GLY A 40 -2.895 12.294 7.432 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.753 11.264 4.990 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.190 12.247 5.183 1.00 0.00 H new ATOM 575 N PRO A 41 -1.674 13.815 3.772 1.00 0.00 N ATOM 576 CA PRO A 41 -2.682 13.177 2.920 1.00 0.00 C ATOM 577 C PRO A 41 -2.238 11.806 2.423 1.00 0.00 C ATOM 578 O PRO A 41 -3.066 10.943 2.127 1.00 0.00 O ATOM 579 CB PRO A 41 -2.824 14.151 1.748 1.00 0.00 C ATOM 580 CG PRO A 41 -1.521 14.871 1.694 1.00 0.00 C ATOM 581 CD PRO A 41 -1.047 14.975 3.117 1.00 0.00 C ATOM 0 HA PRO A 41 -3.613 12.996 3.457 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -3.023 13.622 0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -3.652 14.842 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.801 14.329 1.081 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -1.639 15.859 1.249 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.040 14.934 3.182 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -1.359 15.913 3.577 1.00 0.00 H new ATOM 589 N LEU A 42 -0.927 11.611 2.334 1.00 0.00 N ATOM 590 CA LEU A 42 -0.372 10.343 1.873 1.00 0.00 C ATOM 591 C LEU A 42 -0.773 9.202 2.803 1.00 0.00 C ATOM 592 O LEU A 42 -1.143 9.428 3.955 1.00 0.00 O ATOM 593 CB LEU A 42 1.152 10.433 1.785 1.00 0.00 C ATOM 594 CG LEU A 42 1.711 11.229 0.605 1.00 0.00 C ATOM 595 CD1 LEU A 42 0.950 10.898 -0.670 1.00 0.00 C ATOM 596 CD2 LEU A 42 1.651 12.722 0.892 1.00 0.00 C ATOM 0 H LEU A 42 -0.229 12.314 2.575 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.776 10.137 0.882 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.523 10.880 2.707 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.553 9.421 1.737 1.00 0.00 H new ATOM 0 HG LEU A 42 2.755 10.949 0.464 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.361 11.474 -1.499 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.045 9.834 -0.885 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -0.103 11.149 -0.541 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.053 13.272 0.041 1.00 0.00 H new ATOM 0 HD22 LEU A 42 0.616 13.019 1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.241 12.946 1.781 1.00 0.00 H new ATOM 608 N VAL A 43 -0.694 7.976 2.296 1.00 0.00 N ATOM 609 CA VAL A 43 -1.046 6.800 3.082 1.00 0.00 C ATOM 610 C VAL A 43 0.169 5.905 3.305 1.00 0.00 C ATOM 611 O VAL A 43 0.948 5.658 2.384 1.00 0.00 O ATOM 612 CB VAL A 43 -2.156 5.979 2.399 1.00 0.00 C ATOM 613 CG1 VAL A 43 -2.990 6.865 1.486 1.00 0.00 C ATOM 614 CG2 VAL A 43 -1.557 4.815 1.624 1.00 0.00 C ATOM 0 H VAL A 43 -0.389 7.771 1.344 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.411 7.160 4.044 1.00 0.00 H new ATOM 0 HB VAL A 43 -2.811 5.574 3.170 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.769 6.268 1.012 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.449 7.661 2.072 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.350 7.301 0.719 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.355 4.246 1.148 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.879 5.197 0.861 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.007 4.167 2.307 1.00 0.00 H new ATOM 624 N TYR A 44 0.323 5.422 4.533 1.00 0.00 N ATOM 625 CA TYR A 44 1.444 4.556 4.878 1.00 0.00 C ATOM 626 C TYR A 44 0.960 3.299 5.596 1.00 0.00 C ATOM 627 O TYR A 44 -0.086 3.306 6.245 1.00 0.00 O ATOM 628 CB TYR A 44 2.444 5.307 5.758 1.00 0.00 C ATOM 629 CG TYR A 44 2.320 6.811 5.668 1.00 0.00 C ATOM 630 CD1 TYR A 44 2.685 7.490 4.512 1.00 0.00 C ATOM 631 CD2 TYR A 44 1.838 7.554 6.739 1.00 0.00 C ATOM 632 CE1 TYR A 44 2.574 8.864 4.425 1.00 0.00 C ATOM 633 CE2 TYR A 44 1.722 8.928 6.660 1.00 0.00 C ATOM 634 CZ TYR A 44 2.092 9.579 5.501 1.00 0.00 C ATOM 635 OH TYR A 44 1.979 10.948 5.420 1.00 0.00 O ATOM 0 H TYR A 44 -0.314 5.615 5.306 1.00 0.00 H new ATOM 0 HA TYR A 44 1.938 4.257 3.953 1.00 0.00 H new ATOM 0 HB2 TYR A 44 2.304 5.001 6.795 1.00 0.00 H new ATOM 0 HB3 TYR A 44 3.455 5.017 5.473 1.00 0.00 H new ATOM 0 HD1 TYR A 44 3.062 6.934 3.667 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.549 7.048 7.649 1.00 0.00 H new ATOM 0 HE1 TYR A 44 2.863 9.376 3.519 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.344 9.490 7.501 1.00 0.00 H new ATOM 0 HH TYR A 44 1.045 11.208 5.560 1.00 0.00 H new ATOM 645 N ILE A 45 1.731 2.223 5.474 1.00 0.00 N ATOM 646 CA ILE A 45 1.383 0.960 6.112 1.00 0.00 C ATOM 647 C ILE A 45 1.351 1.101 7.630 1.00 0.00 C ATOM 648 O ILE A 45 2.392 1.081 8.289 1.00 0.00 O ATOM 649 CB ILE A 45 2.376 -0.155 5.732 1.00 0.00 C ATOM 650 CG1 ILE A 45 2.389 -0.360 4.216 1.00 0.00 C ATOM 651 CG2 ILE A 45 2.016 -1.450 6.445 1.00 0.00 C ATOM 652 CD1 ILE A 45 3.103 -1.622 3.784 1.00 0.00 C ATOM 0 H ILE A 45 2.600 2.201 4.940 1.00 0.00 H new ATOM 0 HA ILE A 45 0.390 0.689 5.754 1.00 0.00 H new ATOM 0 HB ILE A 45 3.375 0.144 6.048 1.00 0.00 H new ATOM 0 HG12 ILE A 45 1.362 -0.391 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 45 2.868 0.498 3.745 1.00 0.00 H new ATOM 0 HG21 ILE A 45 2.726 -2.228 6.167 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.053 -1.294 7.523 1.00 0.00 H new ATOM 0 HG23 ILE A 45 1.011 -1.757 6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 45 3.073 -1.703 2.697 1.00 0.00 H new ATOM 0 HD12 ILE A 45 4.140 -1.585 4.117 1.00 0.00 H new ATOM 0 HD13 ILE A 45 2.610 -2.488 4.226 1.00 0.00 H new ATOM 664 N HIS A 46 0.149 1.242 8.181 1.00 0.00 N ATOM 665 CA HIS A 46 -0.019 1.384 9.623 1.00 0.00 C ATOM 666 C HIS A 46 0.658 0.235 10.365 1.00 0.00 C ATOM 667 O HIS A 46 1.467 0.457 11.264 1.00 0.00 O ATOM 668 CB HIS A 46 -1.504 1.433 9.982 1.00 0.00 C ATOM 669 CG HIS A 46 -1.761 1.645 11.442 1.00 0.00 C ATOM 670 ND1 HIS A 46 -2.718 2.515 11.920 1.00 0.00 N ATOM 671 CD2 HIS A 46 -1.180 1.092 12.532 1.00 0.00 C ATOM 672 CE1 HIS A 46 -2.714 2.489 13.241 1.00 0.00 C ATOM 673 NE2 HIS A 46 -1.789 1.633 13.637 1.00 0.00 N ATOM 0 H HIS A 46 -0.722 1.261 7.651 1.00 0.00 H new ATOM 0 HA HIS A 46 0.452 2.318 9.928 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -1.979 2.235 9.418 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -1.976 0.501 9.670 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.385 0.361 12.532 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -3.357 3.069 13.887 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -1.564 1.410 14.607 1.00 0.00 H new ATOM 682 N GLU A 47 0.320 -0.992 9.981 1.00 0.00 N ATOM 683 CA GLU A 47 0.894 -2.174 10.611 1.00 0.00 C ATOM 684 C GLU A 47 0.372 -3.449 9.955 1.00 0.00 C ATOM 685 O GLU A 47 -0.837 -3.660 9.857 1.00 0.00 O ATOM 686 CB GLU A 47 0.572 -2.189 12.107 1.00 0.00 C ATOM 687 CG GLU A 47 1.007 -3.464 12.810 1.00 0.00 C ATOM 688 CD GLU A 47 2.299 -3.292 13.585 1.00 0.00 C ATOM 689 OE1 GLU A 47 3.378 -3.509 12.996 1.00 0.00 O ATOM 690 OE2 GLU A 47 2.231 -2.939 14.781 1.00 0.00 O ATOM 0 H GLU A 47 -0.348 -1.193 9.237 1.00 0.00 H new ATOM 0 HA GLU A 47 1.975 -2.135 10.479 1.00 0.00 H new ATOM 0 HB2 GLU A 47 1.058 -1.337 12.583 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -0.502 -2.059 12.240 1.00 0.00 H new ATOM 0 HG2 GLU A 47 0.219 -3.786 13.491 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.133 -4.256 12.072 1.00 0.00 H new ATOM 697 N VAL A 48 1.293 -4.296 9.505 1.00 0.00 N ATOM 698 CA VAL A 48 0.927 -5.550 8.858 1.00 0.00 C ATOM 699 C VAL A 48 0.481 -6.587 9.882 1.00 0.00 C ATOM 700 O VAL A 48 1.304 -7.303 10.454 1.00 0.00 O ATOM 701 CB VAL A 48 2.099 -6.123 8.041 1.00 0.00 C ATOM 702 CG1 VAL A 48 3.390 -6.062 8.843 1.00 0.00 C ATOM 703 CG2 VAL A 48 1.799 -7.550 7.606 1.00 0.00 C ATOM 0 H VAL A 48 2.298 -4.136 9.577 1.00 0.00 H new ATOM 0 HA VAL A 48 0.099 -5.329 8.185 1.00 0.00 H new ATOM 0 HB VAL A 48 2.226 -5.514 7.146 1.00 0.00 H new ATOM 0 HG11 VAL A 48 4.207 -6.471 8.249 1.00 0.00 H new ATOM 0 HG12 VAL A 48 3.611 -5.026 9.099 1.00 0.00 H new ATOM 0 HG13 VAL A 48 3.278 -6.645 9.757 1.00 0.00 H new ATOM 0 HG21 VAL A 48 2.638 -7.939 7.030 1.00 0.00 H new ATOM 0 HG22 VAL A 48 1.643 -8.174 8.486 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.900 -7.561 6.990 1.00 0.00 H new ATOM 713 N ILE A 49 -0.826 -6.663 10.109 1.00 0.00 N ATOM 714 CA ILE A 49 -1.382 -7.614 11.064 1.00 0.00 C ATOM 715 C ILE A 49 -0.692 -8.970 10.953 1.00 0.00 C ATOM 716 O ILE A 49 -0.421 -9.469 9.861 1.00 0.00 O ATOM 717 CB ILE A 49 -2.896 -7.802 10.855 1.00 0.00 C ATOM 718 CG1 ILE A 49 -3.625 -6.468 11.020 1.00 0.00 C ATOM 719 CG2 ILE A 49 -3.441 -8.834 11.831 1.00 0.00 C ATOM 720 CD1 ILE A 49 -5.017 -6.462 10.428 1.00 0.00 C ATOM 0 H ILE A 49 -1.520 -6.077 9.645 1.00 0.00 H new ATOM 0 HA ILE A 49 -1.210 -7.201 12.058 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.066 -8.164 9.841 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -3.689 -6.227 12.081 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.036 -5.681 10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.512 -8.956 11.671 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.939 -9.788 11.670 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -3.263 -8.498 12.853 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.474 -5.484 10.582 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -4.959 -6.671 9.360 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -5.623 -7.226 10.915 1.00 0.00 H new ATOM 732 N PRO A 50 -0.403 -9.583 12.111 1.00 0.00 N ATOM 733 CA PRO A 50 0.256 -10.891 12.171 1.00 0.00 C ATOM 734 C PRO A 50 -0.649 -12.019 11.687 1.00 0.00 C ATOM 735 O PRO A 50 -1.589 -12.413 12.376 1.00 0.00 O ATOM 736 CB PRO A 50 0.573 -11.060 13.659 1.00 0.00 C ATOM 737 CG PRO A 50 -0.434 -10.215 14.359 1.00 0.00 C ATOM 738 CD PRO A 50 -0.698 -9.046 13.450 1.00 0.00 C ATOM 0 HA PRO A 50 1.134 -10.935 11.526 1.00 0.00 H new ATOM 0 HB2 PRO A 50 0.495 -12.103 13.964 1.00 0.00 H new ATOM 0 HB3 PRO A 50 1.589 -10.736 13.887 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.349 -10.776 14.549 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.058 -9.880 15.326 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -1.729 -8.702 13.527 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -0.060 -8.196 13.692 1.00 0.00 H new ATOM 746 N GLY A 51 -0.358 -12.535 10.496 1.00 0.00 N ATOM 747 CA GLY A 51 -1.155 -13.613 9.941 1.00 0.00 C ATOM 748 C GLY A 51 -1.672 -13.296 8.552 1.00 0.00 C ATOM 749 O GLY A 51 -2.637 -13.902 8.088 1.00 0.00 O ATOM 0 H GLY A 51 0.415 -12.226 9.907 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -0.555 -14.522 9.903 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -1.998 -13.815 10.602 1.00 0.00 H new ATOM 753 N GLY A 52 -1.028 -12.342 7.886 1.00 0.00 N ATOM 754 CA GLY A 52 -1.444 -11.960 6.549 1.00 0.00 C ATOM 755 C GLY A 52 -0.528 -12.515 5.477 1.00 0.00 C ATOM 756 O GLY A 52 0.287 -13.398 5.743 1.00 0.00 O ATOM 0 H GLY A 52 -0.226 -11.827 8.249 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.460 -12.313 6.373 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.467 -10.873 6.476 1.00 0.00 H new ATOM 760 N ASP A 53 -0.662 -11.997 4.261 1.00 0.00 N ATOM 761 CA ASP A 53 0.160 -12.446 3.143 1.00 0.00 C ATOM 762 C ASP A 53 1.532 -11.779 3.175 1.00 0.00 C ATOM 763 O ASP A 53 2.561 -12.448 3.074 1.00 0.00 O ATOM 764 CB ASP A 53 -0.537 -12.144 1.816 1.00 0.00 C ATOM 765 CG ASP A 53 -1.381 -13.305 1.328 1.00 0.00 C ATOM 766 OD1 ASP A 53 -0.867 -14.442 1.302 1.00 0.00 O ATOM 767 OD2 ASP A 53 -2.556 -13.076 0.971 1.00 0.00 O ATOM 0 H ASP A 53 -1.332 -11.266 4.024 1.00 0.00 H new ATOM 0 HA ASP A 53 0.297 -13.523 3.235 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -1.169 -11.263 1.933 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.212 -11.901 1.062 1.00 0.00 H new ATOM 772 N CYS A 54 1.538 -10.458 3.315 1.00 0.00 N ATOM 773 CA CYS A 54 2.784 -9.700 3.359 1.00 0.00 C ATOM 774 C CYS A 54 3.572 -10.021 4.625 1.00 0.00 C ATOM 775 O CYS A 54 4.784 -10.229 4.577 1.00 0.00 O ATOM 776 CB CYS A 54 2.494 -8.200 3.290 1.00 0.00 C ATOM 777 SG CYS A 54 1.772 -7.658 1.723 1.00 0.00 S ATOM 0 H CYS A 54 0.695 -9.890 3.400 1.00 0.00 H new ATOM 0 HA CYS A 54 3.386 -9.987 2.497 1.00 0.00 H new ATOM 0 HB2 CYS A 54 1.816 -7.934 4.101 1.00 0.00 H new ATOM 0 HB3 CYS A 54 3.422 -7.653 3.458 1.00 0.00 H new ATOM 0 HG CYS A 54 1.985 -6.385 1.564 1.00 0.00 H new ATOM 783 N TYR A 55 2.875 -10.058 5.755 1.00 0.00 N ATOM 784 CA TYR A 55 3.510 -10.349 7.035 1.00 0.00 C ATOM 785 C TYR A 55 4.574 -11.431 6.881 1.00 0.00 C ATOM 786 O TYR A 55 5.729 -11.243 7.264 1.00 0.00 O ATOM 787 CB TYR A 55 2.463 -10.789 8.059 1.00 0.00 C ATOM 788 CG TYR A 55 3.009 -10.928 9.462 1.00 0.00 C ATOM 789 CD1 TYR A 55 3.112 -9.826 10.301 1.00 0.00 C ATOM 790 CD2 TYR A 55 3.422 -12.162 9.949 1.00 0.00 C ATOM 791 CE1 TYR A 55 3.612 -9.948 11.584 1.00 0.00 C ATOM 792 CE2 TYR A 55 3.921 -12.295 11.230 1.00 0.00 C ATOM 793 CZ TYR A 55 4.015 -11.185 12.043 1.00 0.00 C ATOM 794 OH TYR A 55 4.511 -11.311 13.320 1.00 0.00 O ATOM 0 H TYR A 55 1.870 -9.890 5.811 1.00 0.00 H new ATOM 0 HA TYR A 55 3.993 -9.438 7.388 1.00 0.00 H new ATOM 0 HB2 TYR A 55 1.647 -10.066 8.066 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.040 -11.744 7.746 1.00 0.00 H new ATOM 0 HD1 TYR A 55 2.796 -8.857 9.945 1.00 0.00 H new ATOM 0 HD2 TYR A 55 3.352 -13.033 9.314 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.687 -9.080 12.223 1.00 0.00 H new ATOM 0 HE2 TYR A 55 4.236 -13.262 11.593 1.00 0.00 H new ATOM 0 HH TYR A 55 4.748 -12.247 13.488 1.00 0.00 H new ATOM 804 N LYS A 56 4.176 -12.567 6.318 1.00 0.00 N ATOM 805 CA LYS A 56 5.093 -13.681 6.110 1.00 0.00 C ATOM 806 C LYS A 56 6.166 -13.320 5.088 1.00 0.00 C ATOM 807 O LYS A 56 7.344 -13.625 5.275 1.00 0.00 O ATOM 808 CB LYS A 56 4.326 -14.920 5.644 1.00 0.00 C ATOM 809 CG LYS A 56 3.680 -15.698 6.777 1.00 0.00 C ATOM 810 CD LYS A 56 2.164 -15.644 6.698 1.00 0.00 C ATOM 811 CE LYS A 56 1.548 -15.282 8.041 1.00 0.00 C ATOM 812 NZ LYS A 56 1.711 -16.375 9.039 1.00 0.00 N ATOM 0 H LYS A 56 3.223 -12.740 5.997 1.00 0.00 H new ATOM 0 HA LYS A 56 5.580 -13.899 7.060 1.00 0.00 H new ATOM 0 HB2 LYS A 56 3.554 -14.615 4.938 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.008 -15.578 5.106 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.010 -16.736 6.741 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.010 -15.291 7.733 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.864 -14.911 5.949 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.781 -16.610 6.370 1.00 0.00 H new ATOM 0 HE2 LYS A 56 2.013 -14.372 8.420 1.00 0.00 H new ATOM 0 HE3 LYS A 56 0.488 -15.067 7.908 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.278 -16.089 9.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.246 -17.237 8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.723 -16.563 9.185 1.00 0.00 H new ATOM 826 N ASP A 57 5.751 -12.667 4.007 1.00 0.00 N ATOM 827 CA ASP A 57 6.677 -12.262 2.956 1.00 0.00 C ATOM 828 C ASP A 57 7.837 -11.457 3.534 1.00 0.00 C ATOM 829 O ASP A 57 9.001 -11.817 3.365 1.00 0.00 O ATOM 830 CB ASP A 57 5.947 -11.438 1.894 1.00 0.00 C ATOM 831 CG ASP A 57 6.426 -11.750 0.490 1.00 0.00 C ATOM 832 OD1 ASP A 57 7.612 -12.105 0.333 1.00 0.00 O ATOM 833 OD2 ASP A 57 5.613 -11.638 -0.453 1.00 0.00 O ATOM 0 H ASP A 57 4.780 -12.407 3.836 1.00 0.00 H new ATOM 0 HA ASP A 57 7.079 -13.163 2.493 1.00 0.00 H new ATOM 0 HB2 ASP A 57 4.876 -11.631 1.961 1.00 0.00 H new ATOM 0 HB3 ASP A 57 6.093 -10.377 2.097 1.00 0.00 H new ATOM 838 N GLY A 58 7.510 -10.364 4.217 1.00 0.00 N ATOM 839 CA GLY A 58 8.535 -9.525 4.809 1.00 0.00 C ATOM 840 C GLY A 58 8.985 -8.416 3.878 1.00 0.00 C ATOM 841 O GLY A 58 9.451 -7.369 4.329 1.00 0.00 O ATOM 0 H GLY A 58 6.553 -10.045 4.371 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.154 -9.088 5.732 1.00 0.00 H new ATOM 0 HA3 GLY A 58 9.394 -10.140 5.078 1.00 0.00 H new ATOM 845 N ARG A 59 8.847 -8.645 2.576 1.00 0.00 N ATOM 846 CA ARG A 59 9.245 -7.659 1.580 1.00 0.00 C ATOM 847 C ARG A 59 8.696 -6.279 1.931 1.00 0.00 C ATOM 848 O ARG A 59 9.289 -5.256 1.585 1.00 0.00 O ATOM 849 CB ARG A 59 8.754 -8.077 0.193 1.00 0.00 C ATOM 850 CG ARG A 59 9.508 -9.262 -0.388 1.00 0.00 C ATOM 851 CD ARG A 59 9.677 -9.130 -1.894 1.00 0.00 C ATOM 852 NE ARG A 59 8.836 -10.074 -2.624 1.00 0.00 N ATOM 853 CZ ARG A 59 8.921 -10.274 -3.935 1.00 0.00 C ATOM 854 NH1 ARG A 59 9.805 -9.598 -4.655 1.00 0.00 N ATOM 855 NH2 ARG A 59 8.120 -11.150 -4.527 1.00 0.00 N ATOM 0 H ARG A 59 8.462 -9.506 2.187 1.00 0.00 H new ATOM 0 HA ARG A 59 10.334 -7.607 1.572 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.694 -8.325 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 59 8.846 -7.230 -0.487 1.00 0.00 H new ATOM 0 HG2 ARG A 59 10.488 -9.338 0.084 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.972 -10.183 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 59 9.429 -8.113 -2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 59 10.722 -9.296 -2.157 1.00 0.00 H new ATOM 0 HE ARG A 59 8.145 -10.610 -2.099 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.422 -8.923 -4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.869 -9.753 -5.661 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.438 -11.671 -3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 59 8.186 -11.303 -5.533 1.00 0.00 H new ATOM 869 N LEU A 60 7.560 -6.258 2.620 1.00 0.00 N ATOM 870 CA LEU A 60 6.930 -5.004 3.018 1.00 0.00 C ATOM 871 C LEU A 60 7.004 -4.813 4.530 1.00 0.00 C ATOM 872 O LEU A 60 7.410 -5.717 5.262 1.00 0.00 O ATOM 873 CB LEU A 60 5.470 -4.976 2.561 1.00 0.00 C ATOM 874 CG LEU A 60 5.241 -4.991 1.049 1.00 0.00 C ATOM 875 CD1 LEU A 60 5.889 -3.779 0.399 1.00 0.00 C ATOM 876 CD2 LEU A 60 5.780 -6.277 0.440 1.00 0.00 C ATOM 0 H LEU A 60 7.057 -7.095 2.914 1.00 0.00 H new ATOM 0 HA LEU A 60 7.470 -4.187 2.540 1.00 0.00 H new ATOM 0 HB2 LEU A 60 4.958 -5.835 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 60 4.999 -4.083 2.971 1.00 0.00 H new ATOM 0 HG LEU A 60 4.168 -4.947 0.863 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.716 -3.807 -0.677 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.455 -2.869 0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 60 6.961 -3.791 0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 60 5.608 -6.270 -0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.850 -6.352 0.636 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.269 -7.132 0.883 1.00 0.00 H new ATOM 888 N LYS A 61 6.609 -3.632 4.992 1.00 0.00 N ATOM 889 CA LYS A 61 6.627 -3.322 6.416 1.00 0.00 C ATOM 890 C LYS A 61 5.912 -2.004 6.696 1.00 0.00 C ATOM 891 O LYS A 61 5.617 -1.226 5.788 1.00 0.00 O ATOM 892 CB LYS A 61 8.068 -3.250 6.925 1.00 0.00 C ATOM 893 CG LYS A 61 8.499 -4.479 7.707 1.00 0.00 C ATOM 894 CD LYS A 61 9.294 -4.102 8.946 1.00 0.00 C ATOM 895 CE LYS A 61 8.569 -4.511 10.219 1.00 0.00 C ATOM 896 NZ LYS A 61 9.508 -5.039 11.247 1.00 0.00 N ATOM 0 H LYS A 61 6.272 -2.873 4.400 1.00 0.00 H new ATOM 0 HA LYS A 61 6.101 -4.119 6.942 1.00 0.00 H new ATOM 0 HB2 LYS A 61 8.738 -3.117 6.076 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.177 -2.370 7.559 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.619 -5.053 7.999 1.00 0.00 H new ATOM 0 HG3 LYS A 61 9.103 -5.124 7.069 1.00 0.00 H new ATOM 0 HD2 LYS A 61 10.272 -4.583 8.912 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.468 -3.026 8.955 1.00 0.00 H new ATOM 0 HE2 LYS A 61 8.033 -3.652 10.624 1.00 0.00 H new ATOM 0 HE3 LYS A 61 7.823 -5.270 9.984 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 8.975 -5.307 12.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 10.001 -5.874 10.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 10.204 -4.306 11.490 1.00 0.00 H new ATOM 910 N PRO A 62 5.627 -1.745 7.980 1.00 0.00 N ATOM 911 CA PRO A 62 4.944 -0.520 8.409 1.00 0.00 C ATOM 912 C PRO A 62 5.822 0.717 8.252 1.00 0.00 C ATOM 913 O PRO A 62 7.029 0.668 8.486 1.00 0.00 O ATOM 914 CB PRO A 62 4.645 -0.779 9.887 1.00 0.00 C ATOM 915 CG PRO A 62 5.676 -1.765 10.316 1.00 0.00 C ATOM 916 CD PRO A 62 5.949 -2.628 9.114 1.00 0.00 C ATOM 0 HA PRO A 62 4.056 -0.317 7.810 1.00 0.00 H new ATOM 0 HB2 PRO A 62 4.709 0.139 10.470 1.00 0.00 H new ATOM 0 HB3 PRO A 62 3.638 -1.174 10.024 1.00 0.00 H new ATOM 0 HG2 PRO A 62 6.583 -1.261 10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 62 5.319 -2.364 11.154 1.00 0.00 H new ATOM 0 HD2 PRO A 62 6.987 -2.958 9.084 1.00 0.00 H new ATOM 0 HD3 PRO A 62 5.329 -3.525 9.114 1.00 0.00 H new ATOM 924 N GLY A 63 5.207 1.827 7.855 1.00 0.00 N ATOM 925 CA GLY A 63 5.948 3.062 7.675 1.00 0.00 C ATOM 926 C GLY A 63 6.220 3.367 6.215 1.00 0.00 C ATOM 927 O GLY A 63 6.679 4.457 5.877 1.00 0.00 O ATOM 0 H GLY A 63 4.209 1.893 7.655 1.00 0.00 H new ATOM 0 HA2 GLY A 63 5.388 3.886 8.117 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.894 2.996 8.212 1.00 0.00 H new ATOM 931 N ASP A 64 5.937 2.401 5.348 1.00 0.00 N ATOM 932 CA ASP A 64 6.155 2.571 3.916 1.00 0.00 C ATOM 933 C ASP A 64 4.929 3.187 3.250 1.00 0.00 C ATOM 934 O ASP A 64 3.824 2.655 3.350 1.00 0.00 O ATOM 935 CB ASP A 64 6.482 1.226 3.265 1.00 0.00 C ATOM 936 CG ASP A 64 7.972 1.026 3.069 1.00 0.00 C ATOM 937 OD1 ASP A 64 8.663 2.009 2.731 1.00 0.00 O ATOM 938 OD2 ASP A 64 8.447 -0.115 3.252 1.00 0.00 O ATOM 0 H ASP A 64 5.556 1.492 5.612 1.00 0.00 H new ATOM 0 HA ASP A 64 6.999 3.247 3.779 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.088 0.420 3.885 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.979 1.161 2.300 1.00 0.00 H new ATOM 943 N GLN A 65 5.133 4.311 2.571 1.00 0.00 N ATOM 944 CA GLN A 65 4.044 5.001 1.890 1.00 0.00 C ATOM 945 C GLN A 65 3.502 4.159 0.739 1.00 0.00 C ATOM 946 O GLN A 65 4.222 3.853 -0.212 1.00 0.00 O ATOM 947 CB GLN A 65 4.518 6.357 1.366 1.00 0.00 C ATOM 948 CG GLN A 65 3.388 7.344 1.122 1.00 0.00 C ATOM 949 CD GLN A 65 3.601 8.177 -0.128 1.00 0.00 C ATOM 950 OE1 GLN A 65 4.304 9.187 -0.102 1.00 0.00 O ATOM 951 NE2 GLN A 65 2.993 7.755 -1.230 1.00 0.00 N ATOM 0 H GLN A 65 6.042 4.763 2.478 1.00 0.00 H new ATOM 0 HA GLN A 65 3.242 5.159 2.611 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.218 6.789 2.081 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.065 6.206 0.435 1.00 0.00 H new ATOM 0 HG2 GLN A 65 2.448 6.800 1.036 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.296 8.005 1.984 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.420 6.912 -1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.099 8.274 -2.102 1.00 0.00 H new ATOM 960 N LEU A 66 2.230 3.788 0.831 1.00 0.00 N ATOM 961 CA LEU A 66 1.591 2.981 -0.203 1.00 0.00 C ATOM 962 C LEU A 66 1.198 3.841 -1.399 1.00 0.00 C ATOM 963 O LEU A 66 1.044 5.057 -1.279 1.00 0.00 O ATOM 964 CB LEU A 66 0.356 2.277 0.362 1.00 0.00 C ATOM 965 CG LEU A 66 0.594 0.901 0.984 1.00 0.00 C ATOM 966 CD1 LEU A 66 -0.665 0.403 1.677 1.00 0.00 C ATOM 967 CD2 LEU A 66 1.050 -0.092 -0.075 1.00 0.00 C ATOM 0 H LEU A 66 1.620 4.033 1.611 1.00 0.00 H new ATOM 0 HA LEU A 66 2.307 2.231 -0.538 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.092 2.923 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.375 2.170 -0.439 1.00 0.00 H new ATOM 0 HG LEU A 66 1.383 0.993 1.731 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -0.476 -0.578 2.114 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.948 1.102 2.464 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.474 0.327 0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 66 1.215 -1.066 0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.284 -0.180 -0.845 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.979 0.258 -0.526 1.00 0.00 H new ATOM 979 N VAL A 67 1.034 3.202 -2.553 1.00 0.00 N ATOM 980 CA VAL A 67 0.655 3.907 -3.771 1.00 0.00 C ATOM 981 C VAL A 67 -0.665 3.382 -4.322 1.00 0.00 C ATOM 982 O VAL A 67 -1.599 4.147 -4.561 1.00 0.00 O ATOM 983 CB VAL A 67 1.740 3.777 -4.856 1.00 0.00 C ATOM 984 CG1 VAL A 67 1.230 4.305 -6.188 1.00 0.00 C ATOM 985 CG2 VAL A 67 3.006 4.506 -4.434 1.00 0.00 C ATOM 0 H VAL A 67 1.158 2.196 -2.670 1.00 0.00 H new ATOM 0 HA VAL A 67 0.542 4.958 -3.506 1.00 0.00 H new ATOM 0 HB VAL A 67 1.980 2.721 -4.979 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.011 4.205 -6.942 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.354 3.734 -6.495 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.959 5.356 -6.083 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.762 4.403 -5.213 1.00 0.00 H new ATOM 0 HG22 VAL A 67 2.784 5.562 -4.281 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.381 4.076 -3.505 1.00 0.00 H new ATOM 995 N SER A 68 -0.736 2.069 -4.522 1.00 0.00 N ATOM 996 CA SER A 68 -1.942 1.441 -5.049 1.00 0.00 C ATOM 997 C SER A 68 -1.959 -0.052 -4.731 1.00 0.00 C ATOM 998 O SER A 68 -0.921 -0.712 -4.747 1.00 0.00 O ATOM 999 CB SER A 68 -2.035 1.653 -6.561 1.00 0.00 C ATOM 1000 OG SER A 68 -0.750 1.631 -7.159 1.00 0.00 O ATOM 0 H SER A 68 0.027 1.421 -4.327 1.00 0.00 H new ATOM 0 HA SER A 68 -2.804 1.907 -4.571 1.00 0.00 H new ATOM 0 HB2 SER A 68 -2.659 0.876 -7.003 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.520 2.607 -6.769 1.00 0.00 H new ATOM 0 HG SER A 68 -0.837 1.767 -8.126 1.00 0.00 H new ATOM 1006 N ILE A 69 -3.146 -0.575 -4.444 1.00 0.00 N ATOM 1007 CA ILE A 69 -3.300 -1.989 -4.124 1.00 0.00 C ATOM 1008 C ILE A 69 -4.242 -2.676 -5.106 1.00 0.00 C ATOM 1009 O ILE A 69 -5.347 -2.198 -5.360 1.00 0.00 O ATOM 1010 CB ILE A 69 -3.835 -2.187 -2.693 1.00 0.00 C ATOM 1011 CG1 ILE A 69 -2.835 -1.644 -1.671 1.00 0.00 C ATOM 1012 CG2 ILE A 69 -4.119 -3.659 -2.433 1.00 0.00 C ATOM 1013 CD1 ILE A 69 -1.875 -2.690 -1.149 1.00 0.00 C ATOM 0 H ILE A 69 -4.015 -0.041 -4.426 1.00 0.00 H new ATOM 0 HA ILE A 69 -2.310 -2.439 -4.199 1.00 0.00 H new ATOM 0 HB ILE A 69 -4.768 -1.633 -2.590 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -2.265 -0.835 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.383 -1.214 -0.832 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -4.496 -3.783 -1.418 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -4.864 -4.017 -3.143 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -3.200 -4.233 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.196 -2.233 -0.429 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -2.436 -3.488 -0.663 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.301 -3.103 -1.978 1.00 0.00 H new ATOM 1025 N ASN A 70 -3.797 -3.801 -5.656 1.00 0.00 N ATOM 1026 CA ASN A 70 -4.600 -4.555 -6.611 1.00 0.00 C ATOM 1027 C ASN A 70 -4.744 -3.792 -7.924 1.00 0.00 C ATOM 1028 O ASN A 70 -4.179 -4.180 -8.946 1.00 0.00 O ATOM 1029 CB ASN A 70 -5.983 -4.850 -6.025 1.00 0.00 C ATOM 1030 CG ASN A 70 -5.909 -5.361 -4.599 1.00 0.00 C ATOM 1031 OD1 ASN A 70 -4.777 -5.955 -4.241 1.00 0.00 O flip ATOM 1032 ND2 ASN A 70 -6.860 -5.222 -3.829 1.00 0.00 N flip ATOM 0 H ASN A 70 -2.884 -4.210 -5.456 1.00 0.00 H new ATOM 0 HA ASN A 70 -4.090 -5.497 -6.813 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -6.587 -3.943 -6.052 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.488 -5.589 -6.647 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.711 -4.759 -4.148 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -6.797 -5.570 -2.872 1.00 0.00 H new ATOM 1039 N LYS A 71 -5.505 -2.703 -7.889 1.00 0.00 N ATOM 1040 CA LYS A 71 -5.723 -1.882 -9.074 1.00 0.00 C ATOM 1041 C LYS A 71 -6.459 -0.595 -8.717 1.00 0.00 C ATOM 1042 O LYS A 71 -7.233 -0.070 -9.516 1.00 0.00 O ATOM 1043 CB LYS A 71 -6.520 -2.664 -10.121 1.00 0.00 C ATOM 1044 CG LYS A 71 -7.924 -3.027 -9.670 1.00 0.00 C ATOM 1045 CD LYS A 71 -8.977 -2.421 -10.583 1.00 0.00 C ATOM 1046 CE LYS A 71 -10.322 -3.113 -10.419 1.00 0.00 C ATOM 1047 NZ LYS A 71 -11.061 -3.202 -11.709 1.00 0.00 N ATOM 0 H LYS A 71 -5.982 -2.368 -7.052 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.749 -1.620 -9.488 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -6.582 -2.072 -11.034 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -5.980 -3.577 -10.369 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -8.034 -4.111 -9.656 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -8.081 -2.678 -8.650 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -9.084 -1.359 -10.362 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -8.650 -2.500 -11.620 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -10.168 -4.115 -10.019 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -10.924 -2.568 -9.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -11.972 -3.680 -11.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -11.230 -2.245 -12.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -10.498 -3.744 -12.395 1.00 0.00 H new ATOM 1061 N GLU A 72 -6.211 -0.092 -7.511 1.00 0.00 N ATOM 1062 CA GLU A 72 -6.850 1.135 -7.050 1.00 0.00 C ATOM 1063 C GLU A 72 -5.809 2.205 -6.733 1.00 0.00 C ATOM 1064 O GLU A 72 -4.607 1.943 -6.758 1.00 0.00 O ATOM 1065 CB GLU A 72 -7.705 0.856 -5.812 1.00 0.00 C ATOM 1066 CG GLU A 72 -9.102 0.355 -6.137 1.00 0.00 C ATOM 1067 CD GLU A 72 -10.106 1.481 -6.285 1.00 0.00 C ATOM 1068 OE1 GLU A 72 -10.282 2.251 -5.318 1.00 0.00 O ATOM 1069 OE2 GLU A 72 -10.716 1.593 -7.369 1.00 0.00 O ATOM 0 H GLU A 72 -5.573 -0.515 -6.837 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.492 1.504 -7.850 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -7.199 0.117 -5.190 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -7.784 1.769 -5.222 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.071 -0.223 -7.061 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -9.434 -0.321 -5.349 1.00 0.00 H new ATOM 1076 N SER A 73 -6.281 3.411 -6.434 1.00 0.00 N ATOM 1077 CA SER A 73 -5.392 4.523 -6.116 1.00 0.00 C ATOM 1078 C SER A 73 -5.586 4.977 -4.673 1.00 0.00 C ATOM 1079 O SER A 73 -6.701 5.282 -4.251 1.00 0.00 O ATOM 1080 CB SER A 73 -5.643 5.693 -7.069 1.00 0.00 C ATOM 1081 OG SER A 73 -4.425 6.294 -7.470 1.00 0.00 O ATOM 0 H SER A 73 -7.274 3.643 -6.405 1.00 0.00 H new ATOM 0 HA SER A 73 -4.364 4.180 -6.236 1.00 0.00 H new ATOM 0 HB2 SER A 73 -6.185 5.341 -7.947 1.00 0.00 H new ATOM 0 HB3 SER A 73 -6.275 6.435 -6.581 1.00 0.00 H new ATOM 0 HG SER A 73 -4.612 7.038 -8.080 1.00 0.00 H new ATOM 1087 N MET A 74 -4.491 5.019 -3.920 1.00 0.00 N ATOM 1088 CA MET A 74 -4.539 5.437 -2.524 1.00 0.00 C ATOM 1089 C MET A 74 -4.039 6.869 -2.368 1.00 0.00 C ATOM 1090 O MET A 74 -4.326 7.531 -1.370 1.00 0.00 O ATOM 1091 CB MET A 74 -3.701 4.494 -1.658 1.00 0.00 C ATOM 1092 CG MET A 74 -3.825 3.032 -2.056 1.00 0.00 C ATOM 1093 SD MET A 74 -5.424 2.325 -1.615 1.00 0.00 S ATOM 1094 CE MET A 74 -4.962 1.275 -0.240 1.00 0.00 C ATOM 0 H MET A 74 -3.560 4.769 -4.254 1.00 0.00 H new ATOM 0 HA MET A 74 -5.577 5.396 -2.194 1.00 0.00 H new ATOM 0 HB2 MET A 74 -2.654 4.791 -1.720 1.00 0.00 H new ATOM 0 HB3 MET A 74 -4.003 4.605 -0.617 1.00 0.00 H new ATOM 0 HG2 MET A 74 -3.675 2.938 -3.132 1.00 0.00 H new ATOM 0 HG3 MET A 74 -3.033 2.460 -1.573 1.00 0.00 H new ATOM 0 HE1 MET A 74 -5.551 0.358 -0.269 1.00 0.00 H new ATOM 0 HE2 MET A 74 -3.903 1.029 -0.310 1.00 0.00 H new ATOM 0 HE3 MET A 74 -5.151 1.798 0.697 1.00 0.00 H new ATOM 1104 N ILE A 75 -3.289 7.340 -3.358 1.00 0.00 N ATOM 1105 CA ILE A 75 -2.750 8.695 -3.330 1.00 0.00 C ATOM 1106 C ILE A 75 -3.864 9.732 -3.429 1.00 0.00 C ATOM 1107 O ILE A 75 -4.653 9.723 -4.373 1.00 0.00 O ATOM 1108 CB ILE A 75 -1.746 8.925 -4.475 1.00 0.00 C ATOM 1109 CG1 ILE A 75 -0.616 7.896 -4.406 1.00 0.00 C ATOM 1110 CG2 ILE A 75 -1.188 10.339 -4.414 1.00 0.00 C ATOM 1111 CD1 ILE A 75 0.467 8.254 -3.413 1.00 0.00 C ATOM 0 H ILE A 75 -3.040 6.804 -4.190 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.234 8.810 -2.377 1.00 0.00 H new ATOM 0 HB ILE A 75 -2.266 8.802 -5.425 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -1.035 6.925 -4.140 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.170 7.791 -5.395 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.480 10.486 -5.230 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.003 11.056 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.680 10.489 -3.461 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.235 7.480 -3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.913 9.209 -3.690 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.035 8.331 -2.415 1.00 0.00 H new ATOM 1123 N GLY A 76 -3.920 10.627 -2.447 1.00 0.00 N ATOM 1124 CA GLY A 76 -4.939 11.660 -2.443 1.00 0.00 C ATOM 1125 C GLY A 76 -6.338 11.094 -2.297 1.00 0.00 C ATOM 1126 O GLY A 76 -7.285 11.594 -2.904 1.00 0.00 O ATOM 0 H GLY A 76 -3.278 10.655 -1.655 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -4.744 12.355 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -4.876 12.231 -3.369 1.00 0.00 H new ATOM 1130 N VAL A 77 -6.469 10.046 -1.489 1.00 0.00 N ATOM 1131 CA VAL A 77 -7.762 9.410 -1.265 1.00 0.00 C ATOM 1132 C VAL A 77 -8.142 9.444 0.211 1.00 0.00 C ATOM 1133 O VAL A 77 -7.307 9.724 1.071 1.00 0.00 O ATOM 1134 CB VAL A 77 -7.760 7.949 -1.751 1.00 0.00 C ATOM 1135 CG1 VAL A 77 -7.257 7.022 -0.655 1.00 0.00 C ATOM 1136 CG2 VAL A 77 -9.152 7.539 -2.209 1.00 0.00 C ATOM 0 H VAL A 77 -5.695 9.620 -0.979 1.00 0.00 H new ATOM 0 HA VAL A 77 -8.497 9.974 -1.839 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.083 7.868 -2.601 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.263 5.994 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.241 7.304 -0.378 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.906 7.103 0.217 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.133 6.504 -2.549 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -9.851 7.635 -1.378 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -9.470 8.184 -3.028 1.00 0.00 H new ATOM 1146 N SER A 78 -9.408 9.155 0.497 1.00 0.00 N ATOM 1147 CA SER A 78 -9.900 9.155 1.869 1.00 0.00 C ATOM 1148 C SER A 78 -9.395 7.932 2.628 1.00 0.00 C ATOM 1149 O SER A 78 -9.429 6.812 2.117 1.00 0.00 O ATOM 1150 CB SER A 78 -11.430 9.183 1.884 1.00 0.00 C ATOM 1151 OG SER A 78 -11.914 10.506 2.038 1.00 0.00 O ATOM 0 H SER A 78 -10.111 8.918 -0.203 1.00 0.00 H new ATOM 0 HA SER A 78 -9.522 10.049 2.364 1.00 0.00 H new ATOM 0 HB2 SER A 78 -11.814 8.758 0.957 1.00 0.00 H new ATOM 0 HB3 SER A 78 -11.800 8.560 2.698 1.00 0.00 H new ATOM 0 HG SER A 78 -12.894 10.497 2.043 1.00 0.00 H new ATOM 1157 N PHE A 79 -8.926 8.154 3.851 1.00 0.00 N ATOM 1158 CA PHE A 79 -8.412 7.071 4.681 1.00 0.00 C ATOM 1159 C PHE A 79 -9.282 5.824 4.548 1.00 0.00 C ATOM 1160 O PHE A 79 -8.795 4.751 4.193 1.00 0.00 O ATOM 1161 CB PHE A 79 -8.349 7.509 6.146 1.00 0.00 C ATOM 1162 CG PHE A 79 -7.783 6.461 7.061 1.00 0.00 C ATOM 1163 CD1 PHE A 79 -6.504 5.966 6.863 1.00 0.00 C ATOM 1164 CD2 PHE A 79 -8.530 5.970 8.120 1.00 0.00 C ATOM 1165 CE1 PHE A 79 -5.981 5.001 7.703 1.00 0.00 C ATOM 1166 CE2 PHE A 79 -8.012 5.005 8.964 1.00 0.00 C ATOM 1167 CZ PHE A 79 -6.736 4.521 8.755 1.00 0.00 C ATOM 0 H PHE A 79 -8.891 9.074 4.290 1.00 0.00 H new ATOM 0 HA PHE A 79 -7.406 6.829 4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -7.743 8.412 6.221 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.352 7.770 6.482 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -5.909 6.339 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -9.529 6.346 8.288 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -4.983 4.623 7.537 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -8.605 4.630 9.785 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.329 3.768 9.413 1.00 0.00 H new ATOM 1177 N GLU A 80 -10.571 5.976 4.837 1.00 0.00 N ATOM 1178 CA GLU A 80 -11.508 4.862 4.751 1.00 0.00 C ATOM 1179 C GLU A 80 -11.398 4.161 3.400 1.00 0.00 C ATOM 1180 O GLU A 80 -11.336 2.934 3.329 1.00 0.00 O ATOM 1181 CB GLU A 80 -12.940 5.354 4.968 1.00 0.00 C ATOM 1182 CG GLU A 80 -13.152 6.039 6.307 1.00 0.00 C ATOM 1183 CD GLU A 80 -14.391 5.542 7.027 1.00 0.00 C ATOM 1184 OE1 GLU A 80 -14.779 4.376 6.804 1.00 0.00 O ATOM 1185 OE2 GLU A 80 -14.971 6.319 7.814 1.00 0.00 O ATOM 0 H GLU A 80 -10.989 6.858 5.132 1.00 0.00 H new ATOM 0 HA GLU A 80 -11.255 4.146 5.533 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -13.202 6.048 4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.622 4.507 4.891 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.279 5.873 6.938 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -13.234 7.115 6.152 1.00 0.00 H new ATOM 1192 N GLU A 81 -11.375 4.951 2.330 1.00 0.00 N ATOM 1193 CA GLU A 81 -11.274 4.406 0.982 1.00 0.00 C ATOM 1194 C GLU A 81 -10.057 3.495 0.852 1.00 0.00 C ATOM 1195 O GLU A 81 -10.185 2.311 0.541 1.00 0.00 O ATOM 1196 CB GLU A 81 -11.188 5.538 -0.044 1.00 0.00 C ATOM 1197 CG GLU A 81 -12.188 5.407 -1.181 1.00 0.00 C ATOM 1198 CD GLU A 81 -13.591 5.811 -0.773 1.00 0.00 C ATOM 1199 OE1 GLU A 81 -13.725 6.724 0.068 1.00 0.00 O ATOM 1200 OE2 GLU A 81 -14.555 5.214 -1.296 1.00 0.00 O ATOM 0 H GLU A 81 -11.425 5.969 2.371 1.00 0.00 H new ATOM 0 HA GLU A 81 -12.170 3.816 0.789 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -11.350 6.489 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.180 5.565 -0.459 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.864 6.026 -2.018 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -12.199 4.376 -1.533 1.00 0.00 H new ATOM 1207 N ALA A 82 -8.877 4.056 1.093 1.00 0.00 N ATOM 1208 CA ALA A 82 -7.637 3.295 1.005 1.00 0.00 C ATOM 1209 C ALA A 82 -7.717 2.017 1.834 1.00 0.00 C ATOM 1210 O ALA A 82 -7.354 0.937 1.367 1.00 0.00 O ATOM 1211 CB ALA A 82 -6.461 4.147 1.459 1.00 0.00 C ATOM 0 H ALA A 82 -8.754 5.035 1.351 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.487 3.013 -0.037 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -5.542 3.566 1.388 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.383 5.028 0.823 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -6.615 4.458 2.492 1.00 0.00 H new ATOM 1217 N LYS A 83 -8.195 2.146 3.067 1.00 0.00 N ATOM 1218 CA LYS A 83 -8.324 1.002 3.962 1.00 0.00 C ATOM 1219 C LYS A 83 -9.552 0.170 3.607 1.00 0.00 C ATOM 1220 O LYS A 83 -9.732 -0.937 4.115 1.00 0.00 O ATOM 1221 CB LYS A 83 -8.417 1.473 5.415 1.00 0.00 C ATOM 1222 CG LYS A 83 -8.169 0.369 6.429 1.00 0.00 C ATOM 1223 CD LYS A 83 -7.516 0.908 7.691 1.00 0.00 C ATOM 1224 CE LYS A 83 -8.018 0.184 8.931 1.00 0.00 C ATOM 1225 NZ LYS A 83 -9.242 0.823 9.488 1.00 0.00 N ATOM 0 H LYS A 83 -8.500 3.032 3.470 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.438 0.379 3.845 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.694 2.272 5.576 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -9.406 1.898 5.588 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -9.114 -0.111 6.684 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -7.531 -0.396 5.987 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -6.434 0.798 7.617 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -7.723 1.974 7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -8.232 -0.856 8.683 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -7.235 0.176 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -9.553 0.301 10.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -9.032 1.808 9.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -9.997 0.808 8.773 1.00 0.00 H new ATOM 1239 N SER A 84 -10.394 0.709 2.731 1.00 0.00 N ATOM 1240 CA SER A 84 -11.606 0.016 2.309 1.00 0.00 C ATOM 1241 C SER A 84 -11.320 -0.916 1.137 1.00 0.00 C ATOM 1242 O SER A 84 -11.920 -1.985 1.019 1.00 0.00 O ATOM 1243 CB SER A 84 -12.687 1.027 1.920 1.00 0.00 C ATOM 1244 OG SER A 84 -13.823 0.376 1.377 1.00 0.00 O ATOM 0 H SER A 84 -10.259 1.623 2.300 1.00 0.00 H new ATOM 0 HA SER A 84 -11.963 -0.583 3.147 1.00 0.00 H new ATOM 0 HB2 SER A 84 -12.980 1.606 2.796 1.00 0.00 H new ATOM 0 HB3 SER A 84 -12.285 1.732 1.192 1.00 0.00 H new ATOM 0 HG SER A 84 -14.499 1.044 1.138 1.00 0.00 H new ATOM 1250 N ILE A 85 -10.398 -0.504 0.273 1.00 0.00 N ATOM 1251 CA ILE A 85 -10.031 -1.302 -0.890 1.00 0.00 C ATOM 1252 C ILE A 85 -9.361 -2.607 -0.472 1.00 0.00 C ATOM 1253 O ILE A 85 -9.775 -3.690 -0.887 1.00 0.00 O ATOM 1254 CB ILE A 85 -9.084 -0.529 -1.827 1.00 0.00 C ATOM 1255 CG1 ILE A 85 -9.739 0.775 -2.286 1.00 0.00 C ATOM 1256 CG2 ILE A 85 -8.706 -1.389 -3.025 1.00 0.00 C ATOM 1257 CD1 ILE A 85 -8.798 1.960 -2.273 1.00 0.00 C ATOM 0 H ILE A 85 -9.892 0.378 0.357 1.00 0.00 H new ATOM 0 HA ILE A 85 -10.955 -1.525 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.174 -0.284 -1.279 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -10.128 0.641 -3.295 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -10.591 0.991 -1.642 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -8.037 -0.829 -3.678 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -8.204 -2.293 -2.680 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -9.606 -1.661 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -9.329 2.850 -2.610 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -8.428 2.120 -1.260 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -7.958 1.765 -2.940 1.00 0.00 H new ATOM 1269 N ILE A 86 -8.325 -2.495 0.352 1.00 0.00 N ATOM 1270 CA ILE A 86 -7.600 -3.666 0.829 1.00 0.00 C ATOM 1271 C ILE A 86 -8.551 -4.695 1.432 1.00 0.00 C ATOM 1272 O ILE A 86 -8.575 -5.854 1.016 1.00 0.00 O ATOM 1273 CB ILE A 86 -6.542 -3.284 1.881 1.00 0.00 C ATOM 1274 CG1 ILE A 86 -5.404 -2.495 1.228 1.00 0.00 C ATOM 1275 CG2 ILE A 86 -6.004 -4.529 2.569 1.00 0.00 C ATOM 1276 CD1 ILE A 86 -4.703 -1.549 2.177 1.00 0.00 C ATOM 0 H ILE A 86 -7.969 -1.606 0.703 1.00 0.00 H new ATOM 0 HA ILE A 86 -7.100 -4.100 -0.037 1.00 0.00 H new ATOM 0 HB ILE A 86 -7.012 -2.652 2.634 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -4.674 -3.195 0.821 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -5.803 -1.925 0.388 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -5.257 -4.242 3.309 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -6.822 -5.054 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -5.547 -5.185 1.828 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.909 -1.024 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -5.420 -0.826 2.565 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -4.274 -2.115 3.004 1.00 0.00 H new ATOM 1288 N THR A 87 -9.335 -4.262 2.414 1.00 0.00 N ATOM 1289 CA THR A 87 -10.290 -5.144 3.074 1.00 0.00 C ATOM 1290 C THR A 87 -11.201 -5.827 2.060 1.00 0.00 C ATOM 1291 O THR A 87 -11.720 -6.914 2.312 1.00 0.00 O ATOM 1292 CB THR A 87 -11.156 -4.375 4.090 1.00 0.00 C ATOM 1293 OG1 THR A 87 -12.085 -5.267 4.716 1.00 0.00 O ATOM 1294 CG2 THR A 87 -11.912 -3.244 3.409 1.00 0.00 C ATOM 0 H THR A 87 -9.328 -3.306 2.770 1.00 0.00 H new ATOM 0 HA THR A 87 -9.709 -5.900 3.602 1.00 0.00 H new ATOM 0 HB THR A 87 -10.497 -3.948 4.846 1.00 0.00 H new ATOM 0 HG1 THR A 87 -12.631 -4.771 5.361 1.00 0.00 H new ATOM 0 HG21 THR A 87 -12.517 -2.715 4.146 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.202 -2.551 2.958 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.560 -3.654 2.635 1.00 0.00 H new ATOM 1302 N ARG A 88 -11.389 -5.182 0.914 1.00 0.00 N ATOM 1303 CA ARG A 88 -12.239 -5.727 -0.138 1.00 0.00 C ATOM 1304 C ARG A 88 -11.469 -6.731 -0.993 1.00 0.00 C ATOM 1305 O ARG A 88 -11.829 -7.905 -1.064 1.00 0.00 O ATOM 1306 CB ARG A 88 -12.782 -4.601 -1.020 1.00 0.00 C ATOM 1307 CG ARG A 88 -13.823 -3.735 -0.330 1.00 0.00 C ATOM 1308 CD ARG A 88 -15.210 -3.962 -0.911 1.00 0.00 C ATOM 1309 NE ARG A 88 -15.849 -5.151 -0.353 1.00 0.00 N ATOM 1310 CZ ARG A 88 -17.080 -5.538 -0.666 1.00 0.00 C ATOM 1311 NH1 ARG A 88 -17.801 -4.835 -1.529 1.00 0.00 N ATOM 1312 NH2 ARG A 88 -17.593 -6.632 -0.117 1.00 0.00 N ATOM 0 H ARG A 88 -10.965 -4.282 0.690 1.00 0.00 H new ATOM 0 HA ARG A 88 -13.074 -6.243 0.335 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -11.953 -3.971 -1.342 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -13.220 -5.034 -1.919 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -13.833 -3.957 0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -13.551 -2.685 -0.434 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -15.833 -3.089 -0.714 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -15.137 -4.064 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 88 -15.321 -5.715 0.313 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -17.410 -3.994 -1.954 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -18.746 -5.135 -1.767 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -17.042 -7.176 0.546 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -18.539 -6.928 -0.358 1.00 0.00 H new ATOM 1326 N ALA A 89 -10.409 -6.258 -1.640 1.00 0.00 N ATOM 1327 CA ALA A 89 -9.588 -7.114 -2.488 1.00 0.00 C ATOM 1328 C ALA A 89 -10.444 -8.132 -3.233 1.00 0.00 C ATOM 1329 O ALA A 89 -11.636 -7.916 -3.451 1.00 0.00 O ATOM 1330 CB ALA A 89 -8.527 -7.820 -1.656 1.00 0.00 C ATOM 0 H ALA A 89 -10.099 -5.287 -1.593 1.00 0.00 H new ATOM 0 HA ALA A 89 -9.094 -6.484 -3.228 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -7.921 -8.456 -2.302 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -7.889 -7.079 -1.175 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -9.010 -8.432 -0.894 1.00 0.00 H new ATOM 1427 N SER A 95 -3.764 -14.671 -9.626 1.00 0.00 N ATOM 1428 CA SER A 95 -2.695 -13.680 -9.589 1.00 0.00 C ATOM 1429 C SER A 95 -2.440 -13.210 -8.161 1.00 0.00 C ATOM 1430 O SER A 95 -3.359 -13.056 -7.357 1.00 0.00 O ATOM 1431 CB SER A 95 -3.049 -12.484 -10.476 1.00 0.00 C ATOM 1432 OG SER A 95 -4.283 -12.690 -11.142 1.00 0.00 O ATOM 0 HA SER A 95 -1.786 -14.148 -9.967 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.107 -11.581 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 95 -2.259 -12.325 -11.209 1.00 0.00 H new ATOM 0 HG SER A 95 -4.661 -13.552 -10.870 1.00 0.00 H new ATOM 1438 N PRO A 96 -1.160 -12.976 -7.836 1.00 0.00 N ATOM 1439 CA PRO A 96 -0.751 -12.520 -6.504 1.00 0.00 C ATOM 1440 C PRO A 96 -1.187 -11.085 -6.224 1.00 0.00 C ATOM 1441 O PRO A 96 -1.894 -10.474 -7.025 1.00 0.00 O ATOM 1442 CB PRO A 96 0.776 -12.616 -6.548 1.00 0.00 C ATOM 1443 CG PRO A 96 1.121 -12.496 -7.992 1.00 0.00 C ATOM 1444 CD PRO A 96 -0.012 -13.139 -8.744 1.00 0.00 C ATOM 0 HA PRO A 96 -1.206 -13.115 -5.712 1.00 0.00 H new ATOM 0 HB2 PRO A 96 1.240 -11.822 -5.963 1.00 0.00 H new ATOM 0 HB3 PRO A 96 1.125 -13.562 -6.135 1.00 0.00 H new ATOM 0 HG2 PRO A 96 1.237 -11.451 -8.280 1.00 0.00 H new ATOM 0 HG3 PRO A 96 2.066 -12.994 -8.210 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -0.186 -12.651 -9.703 1.00 0.00 H new ATOM 0 HD3 PRO A 96 0.189 -14.190 -8.953 1.00 0.00 H new ATOM 1452 N TRP A 97 -0.759 -10.554 -5.084 1.00 0.00 N ATOM 1453 CA TRP A 97 -1.105 -9.191 -4.699 1.00 0.00 C ATOM 1454 C TRP A 97 -0.153 -8.186 -5.340 1.00 0.00 C ATOM 1455 O TRP A 97 1.064 -8.360 -5.301 1.00 0.00 O ATOM 1456 CB TRP A 97 -1.071 -9.044 -3.177 1.00 0.00 C ATOM 1457 CG TRP A 97 -2.142 -9.829 -2.481 1.00 0.00 C ATOM 1458 CD1 TRP A 97 -1.963 -10.863 -1.607 1.00 0.00 C ATOM 1459 CD2 TRP A 97 -3.556 -9.644 -2.603 1.00 0.00 C ATOM 1460 NE1 TRP A 97 -3.181 -11.332 -1.178 1.00 0.00 N ATOM 1461 CE2 TRP A 97 -4.174 -10.601 -1.774 1.00 0.00 C ATOM 1462 CE3 TRP A 97 -4.361 -8.763 -3.330 1.00 0.00 C ATOM 1463 CZ2 TRP A 97 -5.558 -10.699 -1.655 1.00 0.00 C ATOM 1464 CZ3 TRP A 97 -5.734 -8.862 -3.211 1.00 0.00 C ATOM 1465 CH2 TRP A 97 -6.322 -9.824 -2.378 1.00 0.00 C ATOM 0 H TRP A 97 -0.172 -11.047 -4.411 1.00 0.00 H new ATOM 0 HA TRP A 97 -2.115 -8.985 -5.054 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -0.097 -9.367 -2.810 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -1.176 -7.990 -2.918 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -1.005 -11.254 -1.298 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -3.323 -12.100 -0.522 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -3.918 -8.018 -3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.013 -11.440 -1.014 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -6.365 -8.187 -3.769 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -7.398 -9.875 -2.306 1.00 0.00 H new ATOM 1476 N GLU A 98 -0.717 -7.136 -5.929 1.00 0.00 N ATOM 1477 CA GLU A 98 0.084 -6.105 -6.578 1.00 0.00 C ATOM 1478 C GLU A 98 0.435 -4.990 -5.597 1.00 0.00 C ATOM 1479 O GLU A 98 -0.359 -4.077 -5.369 1.00 0.00 O ATOM 1480 CB GLU A 98 -0.668 -5.525 -7.778 1.00 0.00 C ATOM 1481 CG GLU A 98 0.176 -4.593 -8.632 1.00 0.00 C ATOM 1482 CD GLU A 98 -0.649 -3.825 -9.647 1.00 0.00 C ATOM 1483 OE1 GLU A 98 -1.279 -4.473 -10.510 1.00 0.00 O ATOM 1484 OE2 GLU A 98 -0.664 -2.579 -9.580 1.00 0.00 O ATOM 0 H GLU A 98 -1.724 -6.977 -5.970 1.00 0.00 H new ATOM 0 HA GLU A 98 1.010 -6.565 -6.925 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -1.031 -6.344 -8.399 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -1.544 -4.983 -7.420 1.00 0.00 H new ATOM 0 HG2 GLU A 98 0.699 -3.888 -7.986 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.938 -5.173 -9.153 1.00 0.00 H new ATOM 1491 N ILE A 99 1.629 -5.072 -5.020 1.00 0.00 N ATOM 1492 CA ILE A 99 2.085 -4.071 -4.064 1.00 0.00 C ATOM 1493 C ILE A 99 2.880 -2.971 -4.758 1.00 0.00 C ATOM 1494 O ILE A 99 3.822 -3.245 -5.501 1.00 0.00 O ATOM 1495 CB ILE A 99 2.957 -4.701 -2.962 1.00 0.00 C ATOM 1496 CG1 ILE A 99 2.421 -6.084 -2.585 1.00 0.00 C ATOM 1497 CG2 ILE A 99 3.004 -3.795 -1.741 1.00 0.00 C ATOM 1498 CD1 ILE A 99 1.068 -6.044 -1.910 1.00 0.00 C ATOM 0 H ILE A 99 2.298 -5.821 -5.198 1.00 0.00 H new ATOM 0 HA ILE A 99 1.193 -3.640 -3.609 1.00 0.00 H new ATOM 0 HB ILE A 99 3.971 -4.817 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 99 2.351 -6.695 -3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 99 3.135 -6.573 -1.922 1.00 0.00 H new ATOM 0 HG21 ILE A 99 3.624 -4.254 -0.971 1.00 0.00 H new ATOM 0 HG22 ILE A 99 3.427 -2.830 -2.020 1.00 0.00 H new ATOM 0 HG23 ILE A 99 1.995 -3.651 -1.356 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.750 -7.059 -1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 99 1.136 -5.460 -0.992 1.00 0.00 H new ATOM 0 HD13 ILE A 99 0.341 -5.584 -2.579 1.00 0.00 H new ATOM 1510 N ALA A 100 2.495 -1.723 -4.509 1.00 0.00 N ATOM 1511 CA ALA A 100 3.174 -0.580 -5.107 1.00 0.00 C ATOM 1512 C ALA A 100 3.475 0.488 -4.062 1.00 0.00 C ATOM 1513 O ALA A 100 2.568 1.154 -3.562 1.00 0.00 O ATOM 1514 CB ALA A 100 2.334 0.003 -6.234 1.00 0.00 C ATOM 0 H ALA A 100 1.716 -1.478 -3.897 1.00 0.00 H new ATOM 0 HA ALA A 100 4.122 -0.927 -5.518 1.00 0.00 H new ATOM 0 HB1 ALA A 100 2.853 0.856 -6.671 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.175 -0.756 -7.000 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.371 0.328 -5.840 1.00 0.00 H new ATOM 1520 N PHE A 101 4.753 0.646 -3.735 1.00 0.00 N ATOM 1521 CA PHE A 101 5.174 1.633 -2.747 1.00 0.00 C ATOM 1522 C PHE A 101 6.536 2.218 -3.108 1.00 0.00 C ATOM 1523 O PHE A 101 7.087 1.925 -4.169 1.00 0.00 O ATOM 1524 CB PHE A 101 5.230 1.000 -1.355 1.00 0.00 C ATOM 1525 CG PHE A 101 6.251 -0.095 -1.235 1.00 0.00 C ATOM 1526 CD1 PHE A 101 6.186 -1.213 -2.052 1.00 0.00 C ATOM 1527 CD2 PHE A 101 7.275 -0.007 -0.306 1.00 0.00 C ATOM 1528 CE1 PHE A 101 7.125 -2.222 -1.945 1.00 0.00 C ATOM 1529 CE2 PHE A 101 8.216 -1.013 -0.195 1.00 0.00 C ATOM 1530 CZ PHE A 101 8.140 -2.122 -1.014 1.00 0.00 C ATOM 0 H PHE A 101 5.516 0.103 -4.140 1.00 0.00 H new ATOM 0 HA PHE A 101 4.442 2.441 -2.742 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.452 1.775 -0.621 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.247 0.598 -1.107 1.00 0.00 H new ATOM 0 HD1 PHE A 101 5.393 -1.297 -2.780 1.00 0.00 H new ATOM 0 HD2 PHE A 101 7.339 0.857 0.339 1.00 0.00 H new ATOM 0 HE1 PHE A 101 7.065 -3.087 -2.589 1.00 0.00 H new ATOM 0 HE2 PHE A 101 9.010 -0.932 0.532 1.00 0.00 H new ATOM 0 HZ PHE A 101 8.873 -2.910 -0.927 1.00 0.00 H new ATOM 1540 N ILE A 102 7.072 3.046 -2.218 1.00 0.00 N ATOM 1541 CA ILE A 102 8.369 3.671 -2.442 1.00 0.00 C ATOM 1542 C ILE A 102 9.430 3.084 -1.516 1.00 0.00 C ATOM 1543 O ILE A 102 9.336 3.202 -0.294 1.00 0.00 O ATOM 1544 CB ILE A 102 8.304 5.195 -2.227 1.00 0.00 C ATOM 1545 CG1 ILE A 102 7.302 5.826 -3.197 1.00 0.00 C ATOM 1546 CG2 ILE A 102 9.682 5.815 -2.405 1.00 0.00 C ATOM 1547 CD1 ILE A 102 5.883 5.839 -2.675 1.00 0.00 C ATOM 0 H ILE A 102 6.628 3.299 -1.335 1.00 0.00 H new ATOM 0 HA ILE A 102 8.642 3.469 -3.478 1.00 0.00 H new ATOM 0 HB ILE A 102 7.968 5.389 -1.208 1.00 0.00 H new ATOM 0 HG12 ILE A 102 7.611 6.849 -3.412 1.00 0.00 H new ATOM 0 HG13 ILE A 102 7.329 5.280 -4.140 1.00 0.00 H new ATOM 0 HG21 ILE A 102 9.619 6.892 -2.250 1.00 0.00 H new ATOM 0 HG22 ILE A 102 10.372 5.384 -1.679 1.00 0.00 H new ATOM 0 HG23 ILE A 102 10.044 5.614 -3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 102 5.228 6.300 -3.414 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.555 4.817 -2.487 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.842 6.410 -1.747 1.00 0.00 H new ATOM 1559 N ARG A 103 10.439 2.453 -2.107 1.00 0.00 N ATOM 1560 CA ARG A 103 11.518 1.848 -1.336 1.00 0.00 C ATOM 1561 C ARG A 103 12.792 2.682 -1.437 1.00 0.00 C ATOM 1562 O ARG A 103 13.405 2.772 -2.500 1.00 0.00 O ATOM 1563 CB ARG A 103 11.788 0.424 -1.826 1.00 0.00 C ATOM 1564 CG ARG A 103 12.924 -0.268 -1.092 1.00 0.00 C ATOM 1565 CD ARG A 103 12.591 -0.480 0.377 1.00 0.00 C ATOM 1566 NE ARG A 103 12.504 -1.897 0.719 1.00 0.00 N ATOM 1567 CZ ARG A 103 12.238 -2.343 1.942 1.00 0.00 C ATOM 1568 NH1 ARG A 103 12.034 -1.486 2.933 1.00 0.00 N ATOM 1569 NH2 ARG A 103 12.176 -3.647 2.175 1.00 0.00 N ATOM 0 H ARG A 103 10.532 2.347 -3.117 1.00 0.00 H new ATOM 0 HA ARG A 103 11.209 1.813 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 103 10.880 -0.168 -1.713 1.00 0.00 H new ATOM 0 HB3 ARG A 103 12.019 0.453 -2.891 1.00 0.00 H new ATOM 0 HG2 ARG A 103 13.130 -1.230 -1.562 1.00 0.00 H new ATOM 0 HG3 ARG A 103 13.832 0.330 -1.178 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.353 -0.004 0.994 1.00 0.00 H new ATOM 0 HD3 ARG A 103 11.644 0.008 0.608 1.00 0.00 H new ATOM 0 HE ARG A 103 12.656 -2.582 -0.022 1.00 0.00 H new ATOM 0 HH11 ARG A 103 12.081 -0.482 2.757 1.00 0.00 H new ATOM 0 HH12 ARG A 103 11.830 -1.830 3.871 1.00 0.00 H new ATOM 0 HH21 ARG A 103 12.333 -4.309 1.415 1.00 0.00 H new ATOM 0 HH22 ARG A 103 11.972 -3.988 3.114 1.00 0.00 H new