USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 548 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 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0345 K(o=-0.035,f=-0.89) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 23 GLN : amide:sc= -0.757 X(o=-0.76,f=-1) USER MOD Single : A 24 SER OG : rot 78:sc= 0.107 USER MOD Single : A 25 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0272) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0981 USER MOD Single : A 29 GLN : amide:sc= 0.112 K(o=0.11,f=-3.5!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 92:sc= 0.00175 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.14) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= 0.489 X(o=0.49,f=0) USER MOD Single : A 46 TYR OH : rot 150:sc= -0.0455 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= -0.347 K(o=-0.35,f=-2.2!) USER MOD Single : A 55 ASN : amide:sc= -0.251 K(o=-0.25,f=-1.5) USER MOD Single : A 56 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 151 N GLU A 13 -9.075 1.501 -10.031 1.00 0.00 N ATOM 152 CA GLU A 13 -7.980 2.389 -9.610 1.00 0.00 C ATOM 153 C GLU A 13 -7.300 1.901 -8.333 1.00 0.00 C ATOM 154 O GLU A 13 -6.086 1.726 -8.309 1.00 0.00 O ATOM 155 CB GLU A 13 -8.498 3.808 -9.327 1.00 0.00 C ATOM 156 CG GLU A 13 -8.967 4.589 -10.549 1.00 0.00 C ATOM 157 CD GLU A 13 -9.898 5.744 -10.167 1.00 0.00 C ATOM 158 OE1 GLU A 13 -9.855 6.250 -9.020 1.00 0.00 O ATOM 159 OE2 GLU A 13 -10.716 6.138 -11.034 1.00 0.00 O ATOM 0 HA GLU A 13 -7.266 2.389 -10.434 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -9.325 3.740 -8.621 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -7.706 4.374 -8.837 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -8.102 4.982 -11.083 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -9.485 3.916 -11.233 1.00 0.00 H new ATOM 166 N VAL A 14 -8.080 1.703 -7.270 1.00 0.00 N ATOM 167 CA VAL A 14 -7.578 1.264 -5.977 1.00 0.00 C ATOM 168 C VAL A 14 -6.829 -0.058 -6.150 1.00 0.00 C ATOM 169 O VAL A 14 -5.626 -0.099 -5.912 1.00 0.00 O ATOM 170 CB VAL A 14 -8.746 1.263 -4.969 1.00 0.00 C ATOM 171 CG1 VAL A 14 -8.472 0.545 -3.652 1.00 0.00 C ATOM 172 CG2 VAL A 14 -9.057 2.710 -4.579 1.00 0.00 C ATOM 0 H VAL A 14 -9.090 1.846 -7.288 1.00 0.00 H new ATOM 0 HA VAL A 14 -6.838 1.945 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 14 -9.554 0.740 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -9.355 0.602 -3.016 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -8.235 -0.500 -3.850 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -7.630 1.019 -3.148 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -9.881 2.726 -3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -8.175 3.162 -4.124 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -9.336 3.275 -5.469 1.00 0.00 H new ATOM 182 N GLY A 15 -7.484 -1.124 -6.608 1.00 0.00 N ATOM 183 CA GLY A 15 -6.853 -2.421 -6.803 1.00 0.00 C ATOM 184 C GLY A 15 -5.650 -2.380 -7.747 1.00 0.00 C ATOM 185 O GLY A 15 -4.690 -3.123 -7.552 1.00 0.00 O ATOM 0 H GLY A 15 -8.474 -1.108 -6.855 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -6.533 -2.809 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.591 -3.119 -7.198 1.00 0.00 H new ATOM 189 N LYS A 16 -5.671 -1.509 -8.754 1.00 0.00 N ATOM 190 CA LYS A 16 -4.590 -1.291 -9.703 1.00 0.00 C ATOM 191 C LYS A 16 -3.374 -0.714 -8.978 1.00 0.00 C ATOM 192 O LYS A 16 -2.300 -1.312 -9.050 1.00 0.00 O ATOM 193 CB LYS A 16 -5.135 -0.394 -10.835 1.00 0.00 C ATOM 194 CG LYS A 16 -4.136 -0.028 -11.935 1.00 0.00 C ATOM 195 CD LYS A 16 -3.730 -1.235 -12.783 1.00 0.00 C ATOM 196 CE LYS A 16 -2.771 -0.759 -13.876 1.00 0.00 C ATOM 197 NZ LYS A 16 -2.239 -1.883 -14.667 1.00 0.00 N ATOM 0 H LYS A 16 -6.478 -0.912 -8.935 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.244 -2.221 -10.155 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.985 -0.898 -11.295 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -5.513 0.528 -10.392 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.574 0.734 -12.580 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.246 0.410 -11.482 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.250 -1.991 -12.161 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.610 -1.699 -13.227 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.289 -0.064 -14.536 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.945 -0.212 -13.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -1.594 -1.519 -15.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -1.723 -2.534 -14.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.025 -2.390 -15.122 1.00 0.00 H new ATOM 211 N VAL A 17 -3.528 0.402 -8.260 1.00 0.00 N ATOM 212 CA VAL A 17 -2.442 1.027 -7.507 1.00 0.00 C ATOM 213 C VAL A 17 -1.948 0.094 -6.403 1.00 0.00 C ATOM 214 O VAL A 17 -0.741 0.027 -6.178 1.00 0.00 O ATOM 215 CB VAL A 17 -2.883 2.404 -6.959 1.00 0.00 C ATOM 216 CG1 VAL A 17 -1.845 3.025 -6.014 1.00 0.00 C ATOM 217 CG2 VAL A 17 -3.115 3.368 -8.136 1.00 0.00 C ATOM 0 H VAL A 17 -4.416 0.899 -8.186 1.00 0.00 H new ATOM 0 HA VAL A 17 -1.601 1.203 -8.178 1.00 0.00 H new ATOM 0 HB VAL A 17 -3.799 2.245 -6.390 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -2.207 3.990 -5.660 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -1.685 2.363 -5.163 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -0.904 3.164 -6.547 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -3.426 4.340 -7.754 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -2.191 3.480 -8.703 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.893 2.968 -8.786 1.00 0.00 H new ATOM 227 N ILE A 18 -2.842 -0.628 -5.725 1.00 0.00 N ATOM 228 CA ILE A 18 -2.477 -1.585 -4.689 1.00 0.00 C ATOM 229 C ILE A 18 -1.552 -2.630 -5.307 1.00 0.00 C ATOM 230 O ILE A 18 -0.437 -2.814 -4.816 1.00 0.00 O ATOM 231 CB ILE A 18 -3.739 -2.197 -4.035 1.00 0.00 C ATOM 232 CG1 ILE A 18 -4.468 -1.127 -3.208 1.00 0.00 C ATOM 233 CG2 ILE A 18 -3.348 -3.343 -3.091 1.00 0.00 C ATOM 234 CD1 ILE A 18 -5.892 -1.481 -2.779 1.00 0.00 C ATOM 0 H ILE A 18 -3.847 -0.561 -5.884 1.00 0.00 H new ATOM 0 HA ILE A 18 -1.940 -1.091 -3.879 1.00 0.00 H new ATOM 0 HB ILE A 18 -4.386 -2.572 -4.828 1.00 0.00 H new ATOM 0 HG12 ILE A 18 -3.879 -0.920 -2.314 1.00 0.00 H new ATOM 0 HG13 ILE A 18 -4.501 -0.205 -3.788 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -4.246 -3.764 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 18 -2.829 -4.118 -3.655 1.00 0.00 H new ATOM 0 HG23 ILE A 18 -2.692 -2.962 -2.309 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -6.313 -0.658 -2.202 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -6.505 -1.656 -3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -5.874 -2.382 -2.166 1.00 0.00 H new ATOM 246 N GLN A 19 -2.007 -3.296 -6.372 1.00 0.00 N ATOM 247 CA GLN A 19 -1.254 -4.314 -7.078 1.00 0.00 C ATOM 248 C GLN A 19 0.127 -3.774 -7.438 1.00 0.00 C ATOM 249 O GLN A 19 1.133 -4.397 -7.105 1.00 0.00 O ATOM 250 CB GLN A 19 -2.022 -4.699 -8.345 1.00 0.00 C ATOM 251 CG GLN A 19 -1.451 -5.941 -9.035 1.00 0.00 C ATOM 252 CD GLN A 19 -1.972 -6.067 -10.464 1.00 0.00 C ATOM 253 OE1 GLN A 19 -2.121 -5.073 -11.174 1.00 0.00 O ATOM 254 NE2 GLN A 19 -2.270 -7.263 -10.923 1.00 0.00 N ATOM 0 H GLN A 19 -2.932 -3.132 -6.770 1.00 0.00 H new ATOM 0 HA GLN A 19 -1.127 -5.194 -6.447 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -3.066 -4.879 -8.090 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -2.004 -3.862 -9.043 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -0.362 -5.886 -9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.720 -6.832 -8.467 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -2.144 -8.083 -10.329 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -2.627 -7.371 -11.872 1.00 0.00 H new ATOM 263 N GLN A 20 0.170 -2.618 -8.107 1.00 0.00 N ATOM 264 CA GLN A 20 1.416 -2.015 -8.538 1.00 0.00 C ATOM 265 C GLN A 20 2.328 -1.738 -7.349 1.00 0.00 C ATOM 266 O GLN A 20 3.467 -2.180 -7.347 1.00 0.00 O ATOM 267 CB GLN A 20 1.175 -0.729 -9.349 1.00 0.00 C ATOM 268 CG GLN A 20 1.458 -0.918 -10.847 1.00 0.00 C ATOM 269 CD GLN A 20 2.204 0.263 -11.474 1.00 0.00 C ATOM 270 OE1 GLN A 20 2.074 1.424 -11.068 1.00 0.00 O ATOM 271 NE2 GLN A 20 3.017 0.001 -12.479 1.00 0.00 N ATOM 0 H GLN A 20 -0.660 -2.082 -8.360 1.00 0.00 H new ATOM 0 HA GLN A 20 1.913 -2.730 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 20 0.142 -0.407 -9.215 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.810 0.067 -8.960 1.00 0.00 H new ATOM 0 HG2 GLN A 20 2.045 -1.826 -10.988 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.514 -1.064 -11.373 1.00 0.00 H new ATOM 0 HE21 GLN A 20 3.123 -0.957 -12.813 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.540 0.756 -12.922 1.00 0.00 H new ATOM 280 N GLY A 21 1.881 -1.009 -6.331 1.00 0.00 N ATOM 281 CA GLY A 21 2.789 -0.607 -5.271 1.00 0.00 C ATOM 282 C GLY A 21 3.210 -1.765 -4.376 1.00 0.00 C ATOM 283 O GLY A 21 4.298 -1.704 -3.803 1.00 0.00 O ATOM 0 H GLY A 21 0.918 -0.692 -6.221 1.00 0.00 H new ATOM 0 HA2 GLY A 21 3.677 -0.155 -5.713 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.311 0.160 -4.662 1.00 0.00 H new ATOM 287 N ARG A 22 2.410 -2.834 -4.271 1.00 0.00 N ATOM 288 CA ARG A 22 2.908 -4.090 -3.753 1.00 0.00 C ATOM 289 C ARG A 22 4.047 -4.588 -4.634 1.00 0.00 C ATOM 290 O ARG A 22 5.148 -4.814 -4.136 1.00 0.00 O ATOM 291 CB ARG A 22 1.807 -5.151 -3.768 1.00 0.00 C ATOM 292 CG ARG A 22 0.818 -5.118 -2.634 1.00 0.00 C ATOM 293 CD ARG A 22 0.089 -6.463 -2.522 1.00 0.00 C ATOM 294 NE ARG A 22 -0.596 -6.935 -3.749 1.00 0.00 N ATOM 295 CZ ARG A 22 -0.151 -7.663 -4.789 1.00 0.00 C ATOM 296 NH1 ARG A 22 1.119 -8.022 -4.919 1.00 0.00 N ATOM 297 NH2 ARG A 22 -0.996 -8.045 -5.736 1.00 0.00 N ATOM 0 H ARG A 22 1.426 -2.843 -4.538 1.00 0.00 H new ATOM 0 HA ARG A 22 3.250 -3.925 -2.731 1.00 0.00 H new ATOM 0 HB2 ARG A 22 1.255 -5.055 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.281 -6.132 -3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.334 -4.898 -1.699 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.096 -4.318 -2.796 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.811 -7.221 -2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -0.649 -6.388 -1.724 1.00 0.00 H new ATOM 0 HE ARG A 22 -1.576 -6.660 -3.816 1.00 0.00 H new ATOM 0 HH11 ARG A 22 1.802 -7.746 -4.214 1.00 0.00 H new ATOM 0 HH12 ARG A 22 1.413 -8.575 -5.724 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -1.981 -7.787 -5.675 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -0.661 -8.597 -6.526 1.00 0.00 H new ATOM 311 N GLN A 23 3.768 -4.831 -5.917 1.00 0.00 N ATOM 312 CA GLN A 23 4.670 -5.518 -6.829 1.00 0.00 C ATOM 313 C GLN A 23 5.954 -4.726 -7.065 1.00 0.00 C ATOM 314 O GLN A 23 7.007 -5.338 -7.211 1.00 0.00 O ATOM 315 CB GLN A 23 3.910 -5.899 -8.109 1.00 0.00 C ATOM 316 CG GLN A 23 4.014 -4.972 -9.325 1.00 0.00 C ATOM 317 CD GLN A 23 5.322 -5.095 -10.101 1.00 0.00 C ATOM 318 OE1 GLN A 23 5.822 -6.187 -10.356 1.00 0.00 O ATOM 319 NE2 GLN A 23 5.890 -3.978 -10.509 1.00 0.00 N ATOM 0 H GLN A 23 2.891 -4.548 -6.354 1.00 0.00 H new ATOM 0 HA GLN A 23 5.013 -6.449 -6.377 1.00 0.00 H new ATOM 0 HB2 GLN A 23 4.252 -6.887 -8.416 1.00 0.00 H new ATOM 0 HB3 GLN A 23 2.855 -5.992 -7.853 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.184 -5.183 -10.000 1.00 0.00 H new ATOM 0 HG3 GLN A 23 3.899 -3.941 -8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 23 5.462 -3.078 -10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 23 6.757 -4.013 -11.045 1.00 0.00 H new ATOM 328 N SER A 24 5.896 -3.392 -6.986 1.00 0.00 N ATOM 329 CA SER A 24 7.062 -2.509 -7.016 1.00 0.00 C ATOM 330 C SER A 24 8.058 -2.843 -5.902 1.00 0.00 C ATOM 331 O SER A 24 9.227 -2.464 -5.969 1.00 0.00 O ATOM 332 CB SER A 24 6.589 -1.059 -6.843 1.00 0.00 C ATOM 333 OG SER A 24 6.021 -0.564 -8.037 1.00 0.00 O ATOM 0 H SER A 24 5.015 -2.887 -6.897 1.00 0.00 H new ATOM 0 HA SER A 24 7.567 -2.646 -7.972 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.856 -1.006 -6.038 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.430 -0.431 -6.549 1.00 0.00 H new ATOM 0 HG SER A 24 5.114 -0.920 -8.140 1.00 0.00 H new ATOM 339 N LYS A 25 7.596 -3.520 -4.854 1.00 0.00 N ATOM 340 CA LYS A 25 8.344 -3.884 -3.665 1.00 0.00 C ATOM 341 C LYS A 25 8.359 -5.412 -3.518 1.00 0.00 C ATOM 342 O LYS A 25 8.755 -5.910 -2.464 1.00 0.00 O ATOM 343 CB LYS A 25 7.716 -3.157 -2.458 1.00 0.00 C ATOM 344 CG LYS A 25 7.571 -1.636 -2.664 1.00 0.00 C ATOM 345 CD LYS A 25 6.908 -0.945 -1.466 1.00 0.00 C ATOM 346 CE LYS A 25 7.933 -0.706 -0.357 1.00 0.00 C ATOM 347 NZ LYS A 25 8.787 0.459 -0.651 1.00 0.00 N ATOM 0 H LYS A 25 6.630 -3.846 -4.815 1.00 0.00 H new ATOM 0 HA LYS A 25 9.386 -3.572 -3.732 1.00 0.00 H new ATOM 0 HB2 LYS A 25 6.733 -3.584 -2.258 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.329 -3.339 -1.575 1.00 0.00 H new ATOM 0 HG2 LYS A 25 8.555 -1.199 -2.833 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.981 -1.448 -3.561 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.474 0.004 -1.780 1.00 0.00 H new ATOM 0 HD3 LYS A 25 6.091 -1.560 -1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 25 7.416 -0.550 0.590 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.555 -1.593 -0.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 9.377 0.675 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 9.398 0.245 -1.465 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 8.189 1.280 -0.874 1.00 0.00 H new ATOM 361 N GLY A 26 7.905 -6.155 -4.535 1.00 0.00 N ATOM 362 CA GLY A 26 7.799 -7.608 -4.569 1.00 0.00 C ATOM 363 C GLY A 26 6.662 -8.189 -3.718 1.00 0.00 C ATOM 364 O GLY A 26 6.432 -9.399 -3.755 1.00 0.00 O ATOM 0 H GLY A 26 7.585 -5.727 -5.404 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.659 -7.924 -5.603 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.743 -8.035 -4.230 1.00 0.00 H new ATOM 368 N LEU A 27 5.941 -7.363 -2.958 1.00 0.00 N ATOM 369 CA LEU A 27 5.143 -7.800 -1.812 1.00 0.00 C ATOM 370 C LEU A 27 3.912 -8.597 -2.255 1.00 0.00 C ATOM 371 O LEU A 27 3.378 -8.358 -3.340 1.00 0.00 O ATOM 372 CB LEU A 27 4.709 -6.568 -0.995 1.00 0.00 C ATOM 373 CG LEU A 27 5.873 -5.739 -0.412 1.00 0.00 C ATOM 374 CD1 LEU A 27 5.411 -4.364 0.083 1.00 0.00 C ATOM 375 CD2 LEU A 27 6.593 -6.445 0.738 1.00 0.00 C ATOM 0 H LEU A 27 5.895 -6.358 -3.124 1.00 0.00 H new ATOM 0 HA LEU A 27 5.757 -8.457 -1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.103 -5.922 -1.631 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.070 -6.899 -0.176 1.00 0.00 H new ATOM 0 HG LEU A 27 6.569 -5.618 -1.242 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.264 -3.817 0.485 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.979 -3.805 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.661 -4.491 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 27 7.401 -5.812 1.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.887 -6.637 1.546 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.005 -7.390 0.384 1.00 0.00 H new ATOM 387 N THR A 28 3.412 -9.497 -1.407 1.00 0.00 N ATOM 388 CA THR A 28 2.149 -10.221 -1.604 1.00 0.00 C ATOM 389 C THR A 28 0.994 -9.483 -0.907 1.00 0.00 C ATOM 390 O THR A 28 1.218 -8.606 -0.066 1.00 0.00 O ATOM 391 CB THR A 28 2.288 -11.703 -1.183 1.00 0.00 C ATOM 392 OG1 THR A 28 1.040 -12.333 -0.982 1.00 0.00 O ATOM 393 CG2 THR A 28 3.045 -11.886 0.117 1.00 0.00 C ATOM 0 H THR A 28 3.885 -9.751 -0.540 1.00 0.00 H new ATOM 0 HA THR A 28 1.904 -10.239 -2.666 1.00 0.00 H new ATOM 0 HB THR A 28 2.830 -12.151 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.183 -13.266 -0.720 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.107 -12.948 0.355 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.050 -11.478 0.013 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.523 -11.364 0.919 1.00 0.00 H new ATOM 401 N GLN A 29 -0.251 -9.874 -1.201 1.00 0.00 N ATOM 402 CA GLN A 29 -1.415 -9.531 -0.397 1.00 0.00 C ATOM 403 C GLN A 29 -1.197 -9.845 1.082 1.00 0.00 C ATOM 404 O GLN A 29 -1.628 -9.068 1.930 1.00 0.00 O ATOM 405 CB GLN A 29 -2.654 -10.303 -0.881 1.00 0.00 C ATOM 406 CG GLN A 29 -3.235 -9.730 -2.176 1.00 0.00 C ATOM 407 CD GLN A 29 -2.943 -10.534 -3.429 1.00 0.00 C ATOM 408 OE1 GLN A 29 -1.819 -10.973 -3.672 1.00 0.00 O ATOM 409 NE2 GLN A 29 -3.972 -10.717 -4.235 1.00 0.00 N ATOM 0 H GLN A 29 -0.475 -10.445 -2.016 1.00 0.00 H new ATOM 0 HA GLN A 29 -1.571 -8.458 -0.512 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.388 -11.348 -1.038 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -3.418 -10.281 -0.104 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.316 -9.644 -2.063 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -2.847 -8.721 -2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -4.885 -10.334 -3.991 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -3.854 -11.242 -5.102 1.00 0.00 H new ATOM 418 N LYS A 30 -0.552 -10.970 1.407 1.00 0.00 N ATOM 419 CA LYS A 30 -0.285 -11.342 2.795 1.00 0.00 C ATOM 420 C LYS A 30 0.613 -10.308 3.473 1.00 0.00 C ATOM 421 O LYS A 30 0.373 -9.956 4.625 1.00 0.00 O ATOM 422 CB LYS A 30 0.290 -12.763 2.836 1.00 0.00 C ATOM 423 CG LYS A 30 -0.848 -13.805 2.835 1.00 0.00 C ATOM 424 CD LYS A 30 -0.393 -15.117 2.200 1.00 0.00 C ATOM 425 CE LYS A 30 -1.495 -16.183 2.257 1.00 0.00 C ATOM 426 NZ LYS A 30 -1.243 -17.272 1.289 1.00 0.00 N ATOM 0 H LYS A 30 -0.204 -11.640 0.721 1.00 0.00 H new ATOM 0 HA LYS A 30 -1.214 -11.347 3.366 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.940 -12.924 1.976 1.00 0.00 H new ATOM 0 HB3 LYS A 30 0.905 -12.888 3.727 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -1.178 -13.988 3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -1.705 -13.411 2.289 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -0.110 -14.941 1.162 1.00 0.00 H new ATOM 0 HD3 LYS A 30 0.495 -15.483 2.715 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.552 -16.596 3.264 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -2.460 -15.722 2.046 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -2.006 -17.976 1.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -1.213 -16.880 0.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.333 -17.726 1.507 1.00 0.00 H new ATOM 440 N ASP A 31 1.597 -9.778 2.749 1.00 0.00 N ATOM 441 CA ASP A 31 2.521 -8.776 3.282 1.00 0.00 C ATOM 442 C ASP A 31 1.774 -7.477 3.575 1.00 0.00 C ATOM 443 O ASP A 31 2.055 -6.818 4.578 1.00 0.00 O ATOM 444 CB ASP A 31 3.647 -8.444 2.294 1.00 0.00 C ATOM 445 CG ASP A 31 4.653 -9.557 2.049 1.00 0.00 C ATOM 446 OD1 ASP A 31 4.928 -10.356 2.967 1.00 0.00 O ATOM 447 OD2 ASP A 31 5.168 -9.618 0.910 1.00 0.00 O ATOM 0 H ASP A 31 1.777 -10.030 1.777 1.00 0.00 H new ATOM 0 HA ASP A 31 2.951 -9.201 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 31 3.199 -8.166 1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.182 -7.569 2.661 1.00 0.00 H new ATOM 452 N LEU A 32 0.855 -7.090 2.678 1.00 0.00 N ATOM 453 CA LEU A 32 -0.004 -5.915 2.804 1.00 0.00 C ATOM 454 C LEU A 32 -0.888 -6.070 4.042 1.00 0.00 C ATOM 455 O LEU A 32 -0.873 -5.208 4.918 1.00 0.00 O ATOM 456 CB LEU A 32 -0.846 -5.761 1.515 1.00 0.00 C ATOM 457 CG LEU A 32 -1.372 -4.343 1.203 1.00 0.00 C ATOM 458 CD1 LEU A 32 -1.893 -3.552 2.405 1.00 0.00 C ATOM 459 CD2 LEU A 32 -0.290 -3.514 0.514 1.00 0.00 C ATOM 0 H LEU A 32 0.688 -7.609 1.816 1.00 0.00 H new ATOM 0 HA LEU A 32 0.594 -5.012 2.927 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -0.242 -6.095 0.671 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -1.700 -6.435 1.582 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.230 -4.514 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.237 -2.572 2.074 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -2.721 -4.092 2.864 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.092 -3.428 3.134 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.676 -2.517 0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.579 -3.434 1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.001 -3.998 -0.419 1.00 0.00 H new ATOM 471 N ALA A 33 -1.612 -7.190 4.125 1.00 0.00 N ATOM 472 CA ALA A 33 -2.488 -7.553 5.227 1.00 0.00 C ATOM 473 C ALA A 33 -1.750 -7.372 6.555 1.00 0.00 C ATOM 474 O ALA A 33 -2.172 -6.585 7.401 1.00 0.00 O ATOM 475 CB ALA A 33 -2.966 -8.996 5.019 1.00 0.00 C ATOM 0 H ALA A 33 -1.598 -7.896 3.389 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.364 -6.905 5.256 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.625 -9.283 5.839 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.508 -9.067 4.076 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.105 -9.664 4.994 1.00 0.00 H new ATOM 481 N THR A 34 -0.610 -8.043 6.715 1.00 0.00 N ATOM 482 CA THR A 34 0.222 -7.970 7.905 1.00 0.00 C ATOM 483 C THR A 34 0.684 -6.541 8.221 1.00 0.00 C ATOM 484 O THR A 34 0.672 -6.159 9.395 1.00 0.00 O ATOM 485 CB THR A 34 1.359 -8.986 7.706 1.00 0.00 C ATOM 486 OG1 THR A 34 0.781 -10.276 7.808 1.00 0.00 O ATOM 487 CG2 THR A 34 2.529 -8.896 8.682 1.00 0.00 C ATOM 0 H THR A 34 -0.234 -8.666 6.000 1.00 0.00 H new ATOM 0 HA THR A 34 -0.342 -8.235 8.799 1.00 0.00 H new ATOM 0 HB THR A 34 1.799 -8.766 6.734 1.00 0.00 H new ATOM 0 HG1 THR A 34 0.516 -10.587 6.917 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.265 -9.663 8.440 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.992 -7.912 8.606 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.167 -9.049 9.699 1.00 0.00 H new ATOM 495 N LYS A 35 1.035 -5.726 7.219 1.00 0.00 N ATOM 496 CA LYS A 35 1.406 -4.324 7.419 1.00 0.00 C ATOM 497 C LYS A 35 0.293 -3.518 8.080 1.00 0.00 C ATOM 498 O LYS A 35 0.587 -2.690 8.944 1.00 0.00 O ATOM 499 CB LYS A 35 1.809 -3.688 6.074 1.00 0.00 C ATOM 500 CG LYS A 35 3.323 -3.488 6.026 1.00 0.00 C ATOM 501 CD LYS A 35 3.784 -2.977 4.657 1.00 0.00 C ATOM 502 CE LYS A 35 5.308 -3.004 4.524 1.00 0.00 C ATOM 503 NZ LYS A 35 5.998 -2.105 5.470 1.00 0.00 N ATOM 0 H LYS A 35 1.069 -6.024 6.244 1.00 0.00 H new ATOM 0 HA LYS A 35 2.258 -4.305 8.099 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.492 -4.327 5.250 1.00 0.00 H new ATOM 0 HB3 LYS A 35 1.303 -2.731 5.948 1.00 0.00 H new ATOM 0 HG2 LYS A 35 3.621 -2.779 6.798 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.822 -4.431 6.249 1.00 0.00 H new ATOM 0 HD2 LYS A 35 3.340 -3.589 3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.424 -1.959 4.509 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.660 -4.023 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 35 5.581 -2.726 3.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.026 -2.172 5.326 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.689 -1.126 5.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.766 -2.383 6.445 1.00 0.00 H new ATOM 517 N ILE A 36 -0.965 -3.754 7.706 1.00 0.00 N ATOM 518 CA ILE A 36 -2.109 -2.965 8.166 1.00 0.00 C ATOM 519 C ILE A 36 -2.909 -3.714 9.245 1.00 0.00 C ATOM 520 O ILE A 36 -3.995 -3.282 9.625 1.00 0.00 O ATOM 521 CB ILE A 36 -2.957 -2.483 6.970 1.00 0.00 C ATOM 522 CG1 ILE A 36 -3.755 -3.633 6.327 1.00 0.00 C ATOM 523 CG2 ILE A 36 -2.098 -1.731 5.933 1.00 0.00 C ATOM 524 CD1 ILE A 36 -4.815 -3.131 5.352 1.00 0.00 C ATOM 0 H ILE A 36 -1.221 -4.507 7.068 1.00 0.00 H new ATOM 0 HA ILE A 36 -1.745 -2.062 8.656 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.687 -1.774 7.361 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.069 -4.299 5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -4.234 -4.221 7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.728 -1.406 5.105 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.639 -0.861 6.403 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.318 -2.394 5.557 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.349 -3.980 4.926 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.519 -2.487 5.879 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.336 -2.566 4.552 1.00 0.00 H new ATOM 536 N ASN A 37 -2.358 -4.818 9.753 1.00 0.00 N ATOM 537 CA ASN A 37 -2.888 -5.645 10.825 1.00 0.00 C ATOM 538 C ASN A 37 -4.205 -6.347 10.468 1.00 0.00 C ATOM 539 O ASN A 37 -5.133 -6.379 11.278 1.00 0.00 O ATOM 540 CB ASN A 37 -2.985 -4.844 12.139 1.00 0.00 C ATOM 541 CG ASN A 37 -2.993 -5.789 13.328 1.00 0.00 C ATOM 542 OD1 ASN A 37 -2.027 -6.523 13.522 1.00 0.00 O ATOM 543 ND2 ASN A 37 -4.031 -5.819 14.142 1.00 0.00 N ATOM 0 H ASN A 37 -1.471 -5.177 9.399 1.00 0.00 H new ATOM 0 HA ASN A 37 -2.174 -6.454 10.976 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -2.143 -4.156 12.217 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -3.892 -4.239 12.139 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.035 -6.455 14.940 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.829 -5.206 13.974 1.00 0.00 H new ATOM 550 N GLU A 38 -4.318 -6.896 9.258 1.00 0.00 N ATOM 551 CA GLU A 38 -5.548 -7.491 8.742 1.00 0.00 C ATOM 552 C GLU A 38 -5.319 -8.832 8.038 1.00 0.00 C ATOM 553 O GLU A 38 -4.211 -9.377 8.044 1.00 0.00 O ATOM 554 CB GLU A 38 -6.243 -6.454 7.848 1.00 0.00 C ATOM 555 CG GLU A 38 -7.023 -5.475 8.739 1.00 0.00 C ATOM 556 CD GLU A 38 -8.151 -4.783 7.996 1.00 0.00 C ATOM 557 OE1 GLU A 38 -9.073 -5.497 7.540 1.00 0.00 O ATOM 558 OE2 GLU A 38 -8.144 -3.534 7.927 1.00 0.00 O ATOM 0 H GLU A 38 -3.542 -6.940 8.598 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.202 -7.742 9.577 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.506 -5.916 7.251 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -6.918 -6.949 7.150 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -7.432 -6.014 9.593 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -6.338 -4.724 9.134 1.00 0.00 H new ATOM 565 N LYS A 39 -6.397 -9.410 7.493 1.00 0.00 N ATOM 566 CA LYS A 39 -6.395 -10.663 6.746 1.00 0.00 C ATOM 567 C LYS A 39 -6.229 -10.391 5.255 1.00 0.00 C ATOM 568 O LYS A 39 -6.819 -9.445 4.736 1.00 0.00 O ATOM 569 CB LYS A 39 -7.733 -11.380 6.966 1.00 0.00 C ATOM 570 CG LYS A 39 -8.034 -11.692 8.437 1.00 0.00 C ATOM 571 CD LYS A 39 -7.037 -12.668 9.074 1.00 0.00 C ATOM 572 CE LYS A 39 -7.422 -12.985 10.521 1.00 0.00 C ATOM 573 NZ LYS A 39 -6.531 -13.977 11.155 1.00 0.00 N ATOM 0 H LYS A 39 -7.327 -8.998 7.566 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.567 -11.280 7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -8.536 -10.762 6.564 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -7.733 -12.311 6.399 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -8.032 -10.762 9.005 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -9.038 -12.110 8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.004 -13.590 8.493 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.036 -12.239 9.047 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -7.405 -12.065 11.105 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.446 -13.358 10.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -6.843 -14.149 12.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -6.565 -14.867 10.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -5.556 -13.614 11.162 1.00 0.00 H new ATOM 587 N PRO A 40 -5.530 -11.264 4.514 1.00 0.00 N ATOM 588 CA PRO A 40 -5.337 -11.102 3.079 1.00 0.00 C ATOM 589 C PRO A 40 -6.619 -11.348 2.271 1.00 0.00 C ATOM 590 O PRO A 40 -6.636 -11.105 1.063 1.00 0.00 O ATOM 591 CB PRO A 40 -4.200 -12.060 2.729 1.00 0.00 C ATOM 592 CG PRO A 40 -4.331 -13.176 3.766 1.00 0.00 C ATOM 593 CD PRO A 40 -4.874 -12.465 5.002 1.00 0.00 C ATOM 0 HA PRO A 40 -5.082 -10.075 2.817 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.299 -12.444 1.714 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -3.229 -11.568 2.791 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.008 -13.960 3.426 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.370 -13.650 3.967 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.575 -13.101 5.542 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -4.070 -12.217 5.695 1.00 0.00 H new ATOM 601 N GLN A 41 -7.705 -11.791 2.913 1.00 0.00 N ATOM 602 CA GLN A 41 -9.024 -11.851 2.310 1.00 0.00 C ATOM 603 C GLN A 41 -9.496 -10.456 1.905 1.00 0.00 C ATOM 604 O GLN A 41 -9.949 -10.295 0.771 1.00 0.00 O ATOM 605 CB GLN A 41 -10.007 -12.506 3.290 1.00 0.00 C ATOM 606 CG GLN A 41 -11.474 -12.483 2.826 1.00 0.00 C ATOM 607 CD GLN A 41 -11.731 -13.352 1.600 1.00 0.00 C ATOM 608 OE1 GLN A 41 -12.141 -14.504 1.733 1.00 0.00 O ATOM 609 NE2 GLN A 41 -11.489 -12.819 0.413 1.00 0.00 N ATOM 0 H GLN A 41 -7.684 -12.120 3.878 1.00 0.00 H new ATOM 0 HA GLN A 41 -8.977 -12.457 1.405 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -9.705 -13.541 3.451 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -9.935 -11.999 4.252 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -12.112 -12.821 3.643 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -11.761 -11.456 2.602 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -11.150 -11.860 0.344 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -11.642 -13.368 -0.433 1.00 0.00 H new ATOM 618 N VAL A 42 -9.453 -9.469 2.811 1.00 0.00 N ATOM 619 CA VAL A 42 -9.979 -8.146 2.471 1.00 0.00 C ATOM 620 C VAL A 42 -9.080 -7.495 1.425 1.00 0.00 C ATOM 621 O VAL A 42 -9.560 -6.730 0.600 1.00 0.00 O ATOM 622 CB VAL A 42 -10.202 -7.242 3.702 1.00 0.00 C ATOM 623 CG1 VAL A 42 -10.997 -7.976 4.790 1.00 0.00 C ATOM 624 CG2 VAL A 42 -8.920 -6.659 4.311 1.00 0.00 C ATOM 0 H VAL A 42 -9.073 -9.558 3.753 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.974 -8.280 2.046 1.00 0.00 H new ATOM 0 HB VAL A 42 -10.773 -6.396 3.320 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.139 -7.315 5.645 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -11.969 -8.271 4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -10.449 -8.864 5.105 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -9.175 -6.038 5.170 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -8.267 -7.471 4.631 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.406 -6.053 3.565 1.00 0.00 H new ATOM 634 N ILE A 43 -7.785 -7.821 1.438 1.00 0.00 N ATOM 635 CA ILE A 43 -6.812 -7.330 0.475 1.00 0.00 C ATOM 636 C ILE A 43 -7.152 -7.855 -0.927 1.00 0.00 C ATOM 637 O ILE A 43 -7.164 -7.092 -1.894 1.00 0.00 O ATOM 638 CB ILE A 43 -5.400 -7.748 0.934 1.00 0.00 C ATOM 639 CG1 ILE A 43 -5.043 -7.307 2.370 1.00 0.00 C ATOM 640 CG2 ILE A 43 -4.346 -7.241 -0.045 1.00 0.00 C ATOM 641 CD1 ILE A 43 -5.129 -5.806 2.662 1.00 0.00 C ATOM 0 H ILE A 43 -7.381 -8.447 2.135 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.841 -6.242 0.422 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.408 -8.838 0.946 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.705 -7.828 3.062 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.028 -7.640 2.587 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -3.356 -7.546 0.296 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -4.535 -7.661 -1.033 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.392 -6.153 -0.098 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.856 -5.621 3.701 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -4.445 -5.268 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.148 -5.459 2.488 1.00 0.00 H new ATOM 653 N ALA A 44 -7.443 -9.155 -1.044 1.00 0.00 N ATOM 654 CA ALA A 44 -7.883 -9.763 -2.296 1.00 0.00 C ATOM 655 C ALA A 44 -9.174 -9.109 -2.804 1.00 0.00 C ATOM 656 O ALA A 44 -9.385 -8.976 -4.013 1.00 0.00 O ATOM 657 CB ALA A 44 -8.088 -11.267 -2.082 1.00 0.00 C ATOM 0 H ALA A 44 -7.379 -9.814 -0.268 1.00 0.00 H new ATOM 0 HA ALA A 44 -7.116 -9.606 -3.054 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -8.417 -11.726 -3.015 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.149 -11.721 -1.766 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -8.844 -11.425 -1.313 1.00 0.00 H new ATOM 663 N ASP A 45 -10.064 -8.726 -1.892 1.00 0.00 N ATOM 664 CA ASP A 45 -11.320 -8.076 -2.241 1.00 0.00 C ATOM 665 C ASP A 45 -11.086 -6.631 -2.672 1.00 0.00 C ATOM 666 O ASP A 45 -11.680 -6.197 -3.657 1.00 0.00 O ATOM 667 CB ASP A 45 -12.317 -8.185 -1.079 1.00 0.00 C ATOM 668 CG ASP A 45 -13.395 -9.230 -1.350 1.00 0.00 C ATOM 669 OD1 ASP A 45 -13.123 -10.247 -2.040 1.00 0.00 O ATOM 670 OD2 ASP A 45 -14.524 -9.065 -0.849 1.00 0.00 O ATOM 0 H ASP A 45 -9.932 -8.859 -0.889 1.00 0.00 H new ATOM 0 HA ASP A 45 -11.758 -8.591 -3.096 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -11.782 -8.444 -0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -12.786 -7.215 -0.911 1.00 0.00 H new ATOM 675 N TYR A 46 -10.202 -5.897 -1.994 1.00 0.00 N ATOM 676 CA TYR A 46 -9.749 -4.564 -2.378 1.00 0.00 C ATOM 677 C TYR A 46 -9.223 -4.575 -3.810 1.00 0.00 C ATOM 678 O TYR A 46 -9.608 -3.719 -4.604 1.00 0.00 O ATOM 679 CB TYR A 46 -8.648 -4.080 -1.419 1.00 0.00 C ATOM 680 CG TYR A 46 -9.084 -3.027 -0.425 1.00 0.00 C ATOM 681 CD1 TYR A 46 -9.313 -1.716 -0.874 1.00 0.00 C ATOM 682 CD2 TYR A 46 -9.228 -3.335 0.940 1.00 0.00 C ATOM 683 CE1 TYR A 46 -9.670 -0.705 0.032 1.00 0.00 C ATOM 684 CE2 TYR A 46 -9.608 -2.334 1.850 1.00 0.00 C ATOM 685 CZ TYR A 46 -9.819 -1.010 1.402 1.00 0.00 C ATOM 686 OH TYR A 46 -10.161 -0.031 2.285 1.00 0.00 O ATOM 0 H TYR A 46 -9.768 -6.228 -1.132 1.00 0.00 H new ATOM 0 HA TYR A 46 -10.596 -3.880 -2.319 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -8.262 -4.939 -0.870 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -7.823 -3.682 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -9.214 -1.484 -1.924 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -9.046 -4.341 1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.830 0.304 -0.318 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -9.739 -2.577 2.894 1.00 0.00 H new ATOM 0 HH TYR A 46 -10.670 -0.422 3.026 1.00 0.00 H new ATOM 696 N GLU A 47 -8.375 -5.550 -4.142 1.00 0.00 N ATOM 697 CA GLU A 47 -7.787 -5.689 -5.466 1.00 0.00 C ATOM 698 C GLU A 47 -8.849 -5.807 -6.554 1.00 0.00 C ATOM 699 O GLU A 47 -8.722 -5.192 -7.612 1.00 0.00 O ATOM 700 CB GLU A 47 -6.850 -6.900 -5.501 1.00 0.00 C ATOM 701 CG GLU A 47 -5.393 -6.475 -5.350 1.00 0.00 C ATOM 702 CD GLU A 47 -4.483 -7.694 -5.413 1.00 0.00 C ATOM 703 OE1 GLU A 47 -4.787 -8.676 -6.132 1.00 0.00 O ATOM 704 OE2 GLU A 47 -3.458 -7.670 -4.705 1.00 0.00 O ATOM 0 H GLU A 47 -8.076 -6.272 -3.487 1.00 0.00 H new ATOM 0 HA GLU A 47 -7.215 -4.784 -5.669 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.115 -7.591 -4.701 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -6.980 -7.436 -6.441 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.127 -5.772 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -5.254 -5.956 -4.401 1.00 0.00 H new ATOM 711 N SER A 48 -9.902 -6.589 -6.311 1.00 0.00 N ATOM 712 CA SER A 48 -10.950 -6.733 -7.306 1.00 0.00 C ATOM 713 C SER A 48 -11.897 -5.529 -7.314 1.00 0.00 C ATOM 714 O SER A 48 -12.550 -5.287 -8.334 1.00 0.00 O ATOM 715 CB SER A 48 -11.736 -8.008 -7.034 1.00 0.00 C ATOM 716 OG SER A 48 -12.422 -8.455 -8.194 1.00 0.00 O ATOM 0 H SER A 48 -10.045 -7.119 -5.452 1.00 0.00 H new ATOM 0 HA SER A 48 -10.478 -6.787 -8.287 1.00 0.00 H new ATOM 0 HB2 SER A 48 -11.058 -8.788 -6.688 1.00 0.00 H new ATOM 0 HB3 SER A 48 -12.453 -7.831 -6.232 1.00 0.00 H new ATOM 0 HG SER A 48 -12.915 -9.276 -7.986 1.00 0.00 H new ATOM 722 N GLY A 49 -12.022 -4.809 -6.197 1.00 0.00 N ATOM 723 CA GLY A 49 -12.969 -3.716 -6.047 1.00 0.00 C ATOM 724 C GLY A 49 -14.240 -4.170 -5.337 1.00 0.00 C ATOM 725 O GLY A 49 -15.342 -3.886 -5.809 1.00 0.00 O ATOM 0 H GLY A 49 -11.458 -4.976 -5.364 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -12.505 -2.907 -5.483 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.223 -3.316 -7.029 1.00 0.00 H new ATOM 729 N ARG A 50 -14.103 -4.934 -4.253 1.00 0.00 N ATOM 730 CA ARG A 50 -15.198 -5.599 -3.547 1.00 0.00 C ATOM 731 C ARG A 50 -15.176 -5.340 -2.047 1.00 0.00 C ATOM 732 O ARG A 50 -16.203 -5.487 -1.386 1.00 0.00 O ATOM 733 CB ARG A 50 -15.070 -7.107 -3.762 1.00 0.00 C ATOM 734 CG ARG A 50 -15.153 -7.547 -5.224 1.00 0.00 C ATOM 735 CD ARG A 50 -16.562 -7.423 -5.805 1.00 0.00 C ATOM 736 NE ARG A 50 -16.665 -8.192 -7.053 1.00 0.00 N ATOM 737 CZ ARG A 50 -17.304 -9.358 -7.223 1.00 0.00 C ATOM 738 NH1 ARG A 50 -18.115 -9.850 -6.293 1.00 0.00 N ATOM 739 NH2 ARG A 50 -17.124 -10.052 -8.337 1.00 0.00 N ATOM 0 H ARG A 50 -13.194 -5.113 -3.827 1.00 0.00 H new ATOM 0 HA ARG A 50 -16.131 -5.200 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -14.118 -7.441 -3.348 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -15.856 -7.610 -3.199 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -14.466 -6.945 -5.819 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -14.822 -8.582 -5.306 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -17.294 -7.786 -5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -16.794 -6.375 -5.995 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.203 -7.799 -7.873 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -18.264 -9.338 -5.424 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -18.589 -10.740 -6.448 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -16.500 -9.699 -9.063 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -17.609 -10.940 -8.469 1.00 0.00 H new ATOM 753 N ALA A 51 -14.027 -4.966 -1.483 1.00 0.00 N ATOM 754 CA ALA A 51 -14.009 -4.483 -0.115 1.00 0.00 C ATOM 755 C ALA A 51 -14.758 -3.152 -0.124 1.00 0.00 C ATOM 756 O ALA A 51 -14.468 -2.328 -0.996 1.00 0.00 O ATOM 757 CB ALA A 51 -12.565 -4.299 0.363 1.00 0.00 C ATOM 0 H ALA A 51 -13.118 -4.989 -1.946 1.00 0.00 H new ATOM 0 HA ALA A 51 -14.481 -5.190 0.568 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -12.565 -3.936 1.391 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -12.042 -5.254 0.315 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -12.059 -3.576 -0.277 1.00 0.00 H new ATOM 763 N ILE A 52 -15.679 -2.916 0.815 1.00 0.00 N ATOM 764 CA ILE A 52 -16.256 -1.587 1.003 1.00 0.00 C ATOM 765 C ILE A 52 -15.110 -0.739 1.559 1.00 0.00 C ATOM 766 O ILE A 52 -14.653 -1.003 2.678 1.00 0.00 O ATOM 767 CB ILE A 52 -17.480 -1.592 1.936 1.00 0.00 C ATOM 768 CG1 ILE A 52 -18.639 -2.471 1.423 1.00 0.00 C ATOM 769 CG2 ILE A 52 -17.978 -0.154 2.169 1.00 0.00 C ATOM 770 CD1 ILE A 52 -19.146 -2.167 0.008 1.00 0.00 C ATOM 0 H ILE A 52 -16.038 -3.626 1.453 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.644 -1.187 0.066 1.00 0.00 H new ATOM 0 HB ILE A 52 -17.146 -2.031 2.876 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -18.319 -3.513 1.456 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -19.475 -2.373 2.115 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -18.844 -0.172 2.831 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -17.184 0.436 2.626 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -18.259 0.293 1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -19.960 -2.848 -0.241 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -19.507 -1.139 -0.036 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -18.333 -2.297 -0.706 1.00 0.00 H new ATOM 782 N PRO A 53 -14.556 0.202 0.786 1.00 0.00 N ATOM 783 CA PRO A 53 -13.233 0.707 1.073 1.00 0.00 C ATOM 784 C PRO A 53 -13.351 1.813 2.123 1.00 0.00 C ATOM 785 O PRO A 53 -13.914 2.884 1.872 1.00 0.00 O ATOM 786 CB PRO A 53 -12.714 1.173 -0.286 1.00 0.00 C ATOM 787 CG PRO A 53 -13.978 1.668 -0.988 1.00 0.00 C ATOM 788 CD PRO A 53 -15.066 0.738 -0.465 1.00 0.00 C ATOM 0 HA PRO A 53 -12.538 -0.015 1.501 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -11.973 1.966 -0.184 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -12.239 0.361 -0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -14.190 2.709 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -13.885 1.606 -2.072 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -16.000 1.277 -0.308 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.275 -0.060 -1.177 1.00 0.00 H new ATOM 796 N ASN A 54 -12.802 1.567 3.312 1.00 0.00 N ATOM 797 CA ASN A 54 -12.848 2.538 4.398 1.00 0.00 C ATOM 798 C ASN A 54 -11.744 3.540 4.135 1.00 0.00 C ATOM 799 O ASN A 54 -10.650 3.116 3.767 1.00 0.00 O ATOM 800 CB ASN A 54 -12.635 1.859 5.772 1.00 0.00 C ATOM 801 CG ASN A 54 -13.924 1.734 6.574 1.00 0.00 C ATOM 802 OD1 ASN A 54 -14.876 2.481 6.363 1.00 0.00 O ATOM 803 ND2 ASN A 54 -13.999 0.823 7.519 1.00 0.00 N ATOM 0 H ASN A 54 -12.319 0.699 3.545 1.00 0.00 H new ATOM 0 HA ASN A 54 -13.825 3.020 4.432 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -12.209 0.867 5.620 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -11.909 2.433 6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -14.848 0.736 8.077 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -13.208 0.203 7.694 1.00 0.00 H new ATOM 810 N ASN A 55 -11.972 4.836 4.374 1.00 0.00 N ATOM 811 CA ASN A 55 -10.890 5.818 4.260 1.00 0.00 C ATOM 812 C ASN A 55 -9.792 5.534 5.278 1.00 0.00 C ATOM 813 O ASN A 55 -8.626 5.788 4.994 1.00 0.00 O ATOM 814 CB ASN A 55 -11.370 7.270 4.344 1.00 0.00 C ATOM 815 CG ASN A 55 -11.672 7.796 5.745 1.00 0.00 C ATOM 816 OD1 ASN A 55 -10.806 7.903 6.609 1.00 0.00 O ATOM 817 ND2 ASN A 55 -12.892 8.234 5.983 1.00 0.00 N ATOM 0 H ASN A 55 -12.877 5.223 4.642 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.476 5.703 3.258 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -10.611 7.909 3.894 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.271 7.369 3.738 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.114 8.660 6.883 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -13.614 8.147 5.268 1.00 0.00 H new ATOM 824 N GLN A 56 -10.163 4.945 6.418 1.00 0.00 N ATOM 825 CA GLN A 56 -9.245 4.478 7.438 1.00 0.00 C ATOM 826 C GLN A 56 -8.276 3.463 6.830 1.00 0.00 C ATOM 827 O GLN A 56 -7.065 3.673 6.824 1.00 0.00 O ATOM 828 CB GLN A 56 -10.035 3.850 8.593 1.00 0.00 C ATOM 829 CG GLN A 56 -11.025 4.820 9.254 1.00 0.00 C ATOM 830 CD GLN A 56 -11.659 4.237 10.519 1.00 0.00 C ATOM 831 OE1 GLN A 56 -11.486 3.069 10.842 1.00 0.00 O ATOM 832 NE2 GLN A 56 -12.436 5.021 11.247 1.00 0.00 N ATOM 0 H GLN A 56 -11.141 4.779 6.655 1.00 0.00 H new ATOM 0 HA GLN A 56 -8.669 5.318 7.827 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -10.581 2.983 8.221 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -9.336 3.487 9.346 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -10.509 5.747 9.504 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -11.810 5.074 8.542 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -12.578 5.994 10.975 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -12.894 4.653 12.081 1.00 0.00 H new ATOM 841 N VAL A 57 -8.813 2.356 6.315 1.00 0.00 N ATOM 842 CA VAL A 57 -8.029 1.266 5.757 1.00 0.00 C ATOM 843 C VAL A 57 -7.278 1.741 4.522 1.00 0.00 C ATOM 844 O VAL A 57 -6.077 1.516 4.449 1.00 0.00 O ATOM 845 CB VAL A 57 -8.920 0.040 5.498 1.00 0.00 C ATOM 846 CG1 VAL A 57 -8.092 -1.111 4.916 1.00 0.00 C ATOM 847 CG2 VAL A 57 -9.570 -0.439 6.804 1.00 0.00 C ATOM 0 H VAL A 57 -9.819 2.194 6.276 1.00 0.00 H new ATOM 0 HA VAL A 57 -7.275 0.947 6.476 1.00 0.00 H new ATOM 0 HB VAL A 57 -9.693 0.335 4.788 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -8.738 -1.971 4.739 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -7.641 -0.796 3.975 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -7.307 -1.386 5.620 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -10.197 -1.307 6.601 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.793 -0.711 7.519 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -10.182 0.361 7.221 1.00 0.00 H new ATOM 857 N LEU A 58 -7.929 2.458 3.603 1.00 0.00 N ATOM 858 CA LEU A 58 -7.283 3.093 2.458 1.00 0.00 C ATOM 859 C LEU A 58 -6.058 3.878 2.933 1.00 0.00 C ATOM 860 O LEU A 58 -4.981 3.694 2.383 1.00 0.00 O ATOM 861 CB LEU A 58 -8.271 4.015 1.730 1.00 0.00 C ATOM 862 CG LEU A 58 -9.274 3.319 0.790 1.00 0.00 C ATOM 863 CD1 LEU A 58 -10.445 4.268 0.500 1.00 0.00 C ATOM 864 CD2 LEU A 58 -8.619 2.906 -0.528 1.00 0.00 C ATOM 0 H LEU A 58 -8.936 2.615 3.637 1.00 0.00 H new ATOM 0 HA LEU A 58 -6.960 2.325 1.756 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -8.832 4.576 2.477 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.701 4.740 1.149 1.00 0.00 H new ATOM 0 HG LEU A 58 -9.631 2.417 1.287 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -11.155 3.777 -0.165 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -10.943 4.528 1.434 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -10.070 5.174 0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -9.358 2.419 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -8.231 3.790 -1.034 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -7.801 2.215 -0.327 1.00 0.00 H new ATOM 876 N GLY A 59 -6.197 4.699 3.978 1.00 0.00 N ATOM 877 CA GLY A 59 -5.126 5.459 4.612 1.00 0.00 C ATOM 878 C GLY A 59 -3.955 4.595 5.083 1.00 0.00 C ATOM 879 O GLY A 59 -2.793 4.961 4.889 1.00 0.00 O ATOM 0 H GLY A 59 -7.102 4.856 4.422 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -4.756 6.205 3.908 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -5.533 6.001 5.466 1.00 0.00 H new ATOM 883 N LYS A 60 -4.239 3.455 5.718 1.00 0.00 N ATOM 884 CA LYS A 60 -3.226 2.485 6.133 1.00 0.00 C ATOM 885 C LYS A 60 -2.545 1.862 4.919 1.00 0.00 C ATOM 886 O LYS A 60 -1.323 1.726 4.918 1.00 0.00 O ATOM 887 CB LYS A 60 -3.862 1.405 7.023 1.00 0.00 C ATOM 888 CG LYS A 60 -4.391 2.051 8.311 1.00 0.00 C ATOM 889 CD LYS A 60 -5.059 1.082 9.287 1.00 0.00 C ATOM 890 CE LYS A 60 -6.540 0.880 8.959 1.00 0.00 C ATOM 891 NZ LYS A 60 -7.249 0.231 10.073 1.00 0.00 N ATOM 0 H LYS A 60 -5.190 3.178 5.961 1.00 0.00 H new ATOM 0 HA LYS A 60 -2.462 3.003 6.713 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -4.675 0.912 6.490 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.127 0.637 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.563 2.544 8.820 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -5.108 2.827 8.044 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -4.545 0.121 9.255 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.960 1.463 10.303 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -7.002 1.843 8.743 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -6.636 0.272 8.060 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -8.251 0.107 9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.822 -0.698 10.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -7.176 0.825 10.924 1.00 0.00 H new ATOM 905 N ILE A 61 -3.307 1.511 3.884 1.00 0.00 N ATOM 906 CA ILE A 61 -2.779 1.001 2.628 1.00 0.00 C ATOM 907 C ILE A 61 -1.867 2.062 1.992 1.00 0.00 C ATOM 908 O ILE A 61 -0.851 1.695 1.403 1.00 0.00 O ATOM 909 CB ILE A 61 -3.923 0.528 1.704 1.00 0.00 C ATOM 910 CG1 ILE A 61 -4.722 -0.628 2.345 1.00 0.00 C ATOM 911 CG2 ILE A 61 -3.391 0.070 0.331 1.00 0.00 C ATOM 912 CD1 ILE A 61 -5.948 -1.002 1.509 1.00 0.00 C ATOM 0 H ILE A 61 -4.325 1.576 3.899 1.00 0.00 H new ATOM 0 HA ILE A 61 -2.166 0.118 2.807 1.00 0.00 H new ATOM 0 HB ILE A 61 -4.582 1.385 1.562 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -4.077 -1.500 2.454 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -5.039 -0.339 3.347 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.224 -0.256 -0.292 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -2.877 0.899 -0.155 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -2.695 -0.758 0.468 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -6.483 -1.819 1.993 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -6.606 -0.138 1.422 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -5.629 -1.316 0.515 1.00 0.00 H new ATOM 924 N GLU A 62 -2.145 3.360 2.154 1.00 0.00 N ATOM 925 CA GLU A 62 -1.213 4.375 1.653 1.00 0.00 C ATOM 926 C GLU A 62 0.159 4.214 2.303 1.00 0.00 C ATOM 927 O GLU A 62 1.161 4.157 1.592 1.00 0.00 O ATOM 928 CB GLU A 62 -1.685 5.841 1.824 1.00 0.00 C ATOM 929 CG GLU A 62 -3.104 6.117 1.323 1.00 0.00 C ATOM 930 CD GLU A 62 -3.475 7.590 1.141 1.00 0.00 C ATOM 931 OE1 GLU A 62 -3.224 8.402 2.051 1.00 0.00 O ATOM 932 OE2 GLU A 62 -4.107 7.922 0.105 1.00 0.00 O ATOM 0 H GLU A 62 -2.980 3.725 2.613 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.162 4.194 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.629 6.106 2.880 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.993 6.496 1.294 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -3.236 5.609 0.368 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -3.809 5.669 2.023 1.00 0.00 H new ATOM 939 N ARG A 63 0.226 4.039 3.632 1.00 0.00 N ATOM 940 CA ARG A 63 1.498 3.732 4.297 1.00 0.00 C ATOM 941 C ARG A 63 2.104 2.447 3.722 1.00 0.00 C ATOM 942 O ARG A 63 3.319 2.372 3.512 1.00 0.00 O ATOM 943 CB ARG A 63 1.352 3.601 5.829 1.00 0.00 C ATOM 944 CG ARG A 63 0.676 4.787 6.540 1.00 0.00 C ATOM 945 CD ARG A 63 0.931 4.728 8.058 1.00 0.00 C ATOM 946 NE ARG A 63 0.302 5.856 8.779 1.00 0.00 N ATOM 947 CZ ARG A 63 0.916 6.795 9.516 1.00 0.00 C ATOM 948 NH1 ARG A 63 2.221 6.740 9.753 1.00 0.00 N ATOM 949 NH2 ARG A 63 0.225 7.814 10.023 1.00 0.00 N ATOM 0 H ARG A 63 -0.576 4.104 4.259 1.00 0.00 H new ATOM 0 HA ARG A 63 2.164 4.573 4.104 1.00 0.00 H new ATOM 0 HB2 ARG A 63 0.780 2.698 6.045 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.344 3.461 6.259 1.00 0.00 H new ATOM 0 HG2 ARG A 63 1.059 5.725 6.138 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -0.396 4.771 6.345 1.00 0.00 H new ATOM 0 HD2 ARG A 63 0.545 3.788 8.452 1.00 0.00 H new ATOM 0 HD3 ARG A 63 2.005 4.735 8.244 1.00 0.00 H new ATOM 0 HE ARG A 63 -0.713 5.929 8.708 1.00 0.00 H new ATOM 0 HH11 ARG A 63 2.777 5.974 9.372 1.00 0.00 H new ATOM 0 HH12 ARG A 63 2.668 7.464 10.316 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -0.778 7.885 9.852 1.00 0.00 H new ATOM 0 HH22 ARG A 63 0.699 8.524 10.582 1.00 0.00 H new ATOM 963 N ALA A 64 1.258 1.449 3.459 1.00 0.00 N ATOM 964 CA ALA A 64 1.637 0.100 3.077 1.00 0.00 C ATOM 965 C ALA A 64 2.413 0.004 1.762 1.00 0.00 C ATOM 966 O ALA A 64 3.163 -0.958 1.600 1.00 0.00 O ATOM 967 CB ALA A 64 0.385 -0.771 2.981 1.00 0.00 C ATOM 0 H ALA A 64 0.247 1.571 3.511 1.00 0.00 H new ATOM 0 HA ALA A 64 2.314 -0.250 3.856 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.668 -1.784 2.694 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.117 -0.794 3.948 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.290 -0.357 2.232 1.00 0.00 H new ATOM 973 N ILE A 65 2.260 0.962 0.841 1.00 0.00 N ATOM 974 CA ILE A 65 3.013 1.014 -0.421 1.00 0.00 C ATOM 975 C ILE A 65 3.740 2.363 -0.608 1.00 0.00 C ATOM 976 O ILE A 65 4.607 2.494 -1.475 1.00 0.00 O ATOM 977 CB ILE A 65 2.082 0.676 -1.605 1.00 0.00 C ATOM 978 CG1 ILE A 65 1.002 1.758 -1.814 1.00 0.00 C ATOM 979 CG2 ILE A 65 1.458 -0.721 -1.415 1.00 0.00 C ATOM 980 CD1 ILE A 65 0.071 1.468 -2.990 1.00 0.00 C ATOM 0 H ILE A 65 1.602 1.734 0.951 1.00 0.00 H new ATOM 0 HA ILE A 65 3.798 0.259 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 65 2.685 0.659 -2.513 1.00 0.00 H new ATOM 0 HG12 ILE A 65 0.408 1.849 -0.904 1.00 0.00 H new ATOM 0 HG13 ILE A 65 1.489 2.720 -1.974 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.804 -0.945 -2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.249 -1.469 -1.361 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.879 -0.738 -0.492 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -0.663 2.269 -3.079 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.654 1.406 -3.909 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.443 0.522 -2.822 1.00 0.00 H new ATOM 992 N GLY A 66 3.401 3.368 0.205 1.00 0.00 N ATOM 993 CA GLY A 66 3.935 4.725 0.172 1.00 0.00 C ATOM 994 C GLY A 66 3.427 5.539 -1.007 1.00 0.00 C ATOM 995 O GLY A 66 4.125 6.465 -1.430 1.00 0.00 O ATOM 0 H GLY A 66 2.708 3.245 0.943 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.671 5.235 1.098 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.023 4.680 0.132 1.00 0.00 H new ATOM 999 N LEU A 67 2.208 5.257 -1.481 1.00 0.00 N ATOM 1000 CA LEU A 67 1.513 6.004 -2.526 1.00 0.00 C ATOM 1001 C LEU A 67 0.096 6.341 -2.052 1.00 0.00 C ATOM 1002 O LEU A 67 -0.383 5.737 -1.097 1.00 0.00 O ATOM 1003 CB LEU A 67 1.435 5.194 -3.836 1.00 0.00 C ATOM 1004 CG LEU A 67 2.729 4.528 -4.348 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.406 3.653 -5.566 1.00 0.00 C ATOM 1006 CD2 LEU A 67 3.833 5.527 -4.720 1.00 0.00 C ATOM 0 H LEU A 67 1.661 4.471 -1.131 1.00 0.00 H new ATOM 0 HA LEU A 67 2.073 6.918 -2.723 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.686 4.413 -3.703 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.067 5.858 -4.619 1.00 0.00 H new ATOM 0 HG LEU A 67 3.115 3.929 -3.524 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.320 3.182 -5.928 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.689 2.883 -5.281 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.979 4.272 -6.355 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.711 4.985 -5.071 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.475 6.188 -5.509 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.098 6.119 -3.844 1.00 0.00 H new ATOM 1018 N LYS A 68 -0.575 7.294 -2.704 1.00 0.00 N ATOM 1019 CA LYS A 68 -1.960 7.674 -2.446 1.00 0.00 C ATOM 1020 C LYS A 68 -2.877 6.590 -2.984 1.00 0.00 C ATOM 1021 O LYS A 68 -2.636 6.062 -4.071 1.00 0.00 O ATOM 1022 CB LYS A 68 -2.299 9.005 -3.144 1.00 0.00 C ATOM 1023 CG LYS A 68 -1.767 10.228 -2.385 1.00 0.00 C ATOM 1024 CD LYS A 68 -2.254 11.531 -3.036 1.00 0.00 C ATOM 1025 CE LYS A 68 -1.857 12.763 -2.210 1.00 0.00 C ATOM 1026 NZ LYS A 68 -2.731 12.998 -1.041 1.00 0.00 N ATOM 0 H LYS A 68 -0.150 7.840 -3.453 1.00 0.00 H new ATOM 0 HA LYS A 68 -2.097 7.795 -1.371 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -1.882 8.998 -4.151 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -3.381 9.090 -3.248 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -2.098 10.189 -1.347 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -0.677 10.208 -2.373 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -1.835 11.615 -4.039 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -3.338 11.500 -3.145 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -0.829 12.644 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -1.879 13.643 -2.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -2.407 13.843 -0.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -3.710 13.142 -1.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -2.692 12.174 -0.408 1.00 0.00 H new ATOM 1040 N LEU A 69 -3.976 6.325 -2.282 1.00 0.00 N ATOM 1041 CA LEU A 69 -4.995 5.339 -2.652 1.00 0.00 C ATOM 1042 C LEU A 69 -6.348 6.019 -2.854 1.00 0.00 C ATOM 1043 O LEU A 69 -7.366 5.338 -2.936 1.00 0.00 O ATOM 1044 CB LEU A 69 -5.083 4.239 -1.576 1.00 0.00 C ATOM 1045 CG LEU A 69 -4.048 3.112 -1.686 1.00 0.00 C ATOM 1046 CD1 LEU A 69 -4.334 2.190 -2.862 1.00 0.00 C ATOM 1047 CD2 LEU A 69 -2.594 3.534 -1.831 1.00 0.00 C ATOM 0 H LEU A 69 -4.192 6.806 -1.409 1.00 0.00 H new ATOM 0 HA LEU A 69 -4.710 4.873 -3.595 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.980 4.706 -0.597 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.079 3.797 -1.616 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.161 2.620 -0.720 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.577 1.407 -2.903 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.318 1.738 -2.739 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.312 2.764 -3.788 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.963 2.648 -1.899 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -2.477 4.133 -2.734 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -2.298 4.124 -0.964 1.00 0.00 H new ATOM 1059 N ARG A 70 -6.398 7.355 -2.857 1.00 0.00 N ATOM 1060 CA ARG A 70 -7.647 8.089 -2.753 1.00 0.00 C ATOM 1061 C ARG A 70 -7.595 9.299 -3.669 1.00 0.00 C ATOM 1062 O ARG A 70 -6.691 10.125 -3.528 1.00 0.00 O ATOM 1063 CB ARG A 70 -7.850 8.497 -1.285 1.00 0.00 C ATOM 1064 CG ARG A 70 -7.949 7.279 -0.352 1.00 0.00 C ATOM 1065 CD ARG A 70 -8.353 7.643 1.081 1.00 0.00 C ATOM 1066 NE ARG A 70 -7.222 8.161 1.873 1.00 0.00 N ATOM 1067 CZ ARG A 70 -6.937 9.449 2.089 1.00 0.00 C ATOM 1068 NH1 ARG A 70 -7.556 10.397 1.391 1.00 0.00 N ATOM 1069 NH2 ARG A 70 -6.072 9.788 3.031 1.00 0.00 N ATOM 0 H ARG A 70 -5.572 7.949 -2.932 1.00 0.00 H new ATOM 0 HA ARG A 70 -8.491 7.472 -3.063 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -7.021 9.129 -0.967 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.758 9.094 -1.198 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.676 6.576 -0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.987 6.767 -0.332 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -9.145 8.391 1.053 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -8.764 6.762 1.574 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.599 7.472 2.295 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -8.250 10.142 0.689 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.336 11.379 1.558 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.622 9.066 3.594 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -5.856 10.771 3.195 1.00 0.00 H new ATOM 1083 N GLY A 71 -8.610 9.434 -4.516 1.00 0.00 N ATOM 1084 CA GLY A 71 -8.801 10.552 -5.419 1.00 0.00 C ATOM 1085 C GLY A 71 -8.076 10.348 -6.742 1.00 0.00 C ATOM 1086 O GLY A 71 -7.396 9.346 -6.963 1.00 0.00 O ATOM 0 H GLY A 71 -9.350 8.736 -4.591 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -9.866 10.688 -5.607 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.441 11.466 -4.946 1.00 0.00 H new ATOM 1090 N LYS A 72 -8.209 11.319 -7.640 1.00 0.00 N ATOM 1091 CA LYS A 72 -7.583 11.317 -8.966 1.00 0.00 C ATOM 1092 C LYS A 72 -6.053 11.360 -8.936 1.00 0.00 C ATOM 1093 O LYS A 72 -5.430 11.122 -9.968 1.00 0.00 O ATOM 1094 CB LYS A 72 -8.145 12.472 -9.801 1.00 0.00 C ATOM 1095 CG LYS A 72 -7.907 13.833 -9.136 1.00 0.00 C ATOM 1096 CD LYS A 72 -8.482 14.944 -10.004 1.00 0.00 C ATOM 1097 CE LYS A 72 -8.450 16.241 -9.208 1.00 0.00 C ATOM 1098 NZ LYS A 72 -9.004 17.354 -9.988 1.00 0.00 N ATOM 0 H LYS A 72 -8.769 12.153 -7.465 1.00 0.00 H new ATOM 0 HA LYS A 72 -7.834 10.362 -9.428 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -7.681 12.465 -10.787 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.215 12.324 -9.950 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -8.373 13.852 -8.151 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -6.839 13.992 -8.987 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -7.902 15.047 -10.921 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -9.504 14.705 -10.298 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -9.020 16.120 -8.287 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -7.424 16.470 -8.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.970 18.226 -9.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.444 17.483 -10.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.991 17.144 -10.241 1.00 0.00 H new ATOM 1112 N ASP A 73 -5.434 11.660 -7.791 1.00 0.00 N ATOM 1113 CA ASP A 73 -3.975 11.668 -7.636 1.00 0.00 C ATOM 1114 C ASP A 73 -3.501 10.303 -7.114 1.00 0.00 C ATOM 1115 O ASP A 73 -2.453 10.208 -6.471 1.00 0.00 O ATOM 1116 CB ASP A 73 -3.501 12.817 -6.723 1.00 0.00 C ATOM 1117 CG ASP A 73 -3.935 14.214 -7.187 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -3.920 14.495 -8.407 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -4.288 15.042 -6.315 1.00 0.00 O ATOM 0 H ASP A 73 -5.935 11.906 -6.937 1.00 0.00 H new ATOM 0 HA ASP A 73 -3.527 11.844 -8.614 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -3.883 12.647 -5.716 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -2.413 12.790 -6.660 1.00 0.00 H new ATOM 1124 N ILE A 74 -4.284 9.236 -7.316 1.00 0.00 N ATOM 1125 CA ILE A 74 -3.926 7.897 -6.894 1.00 0.00 C ATOM 1126 C ILE A 74 -2.567 7.502 -7.473 1.00 0.00 C ATOM 1127 O ILE A 74 -2.187 7.934 -8.566 1.00 0.00 O ATOM 1128 CB ILE A 74 -5.053 6.914 -7.283 1.00 0.00 C ATOM 1129 CG1 ILE A 74 -5.137 5.831 -6.204 1.00 0.00 C ATOM 1130 CG2 ILE A 74 -5.016 6.467 -8.758 1.00 0.00 C ATOM 1131 CD1 ILE A 74 -6.261 4.819 -6.405 1.00 0.00 C ATOM 0 H ILE A 74 -5.190 9.290 -7.782 1.00 0.00 H new ATOM 0 HA ILE A 74 -3.823 7.862 -5.809 1.00 0.00 H new ATOM 0 HB ILE A 74 -6.021 7.415 -7.283 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -4.187 5.297 -6.169 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -5.268 6.312 -5.235 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -5.839 5.779 -8.950 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.113 7.339 -9.405 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.069 5.967 -8.963 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.244 4.091 -5.594 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.220 5.336 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.123 4.306 -7.357 1.00 0.00 H new ATOM 1143 N GLY A 75 -1.836 6.669 -6.743 1.00 0.00 N ATOM 1144 CA GLY A 75 -0.544 6.169 -7.162 1.00 0.00 C ATOM 1145 C GLY A 75 0.574 7.194 -7.008 1.00 0.00 C ATOM 1146 O GLY A 75 1.734 6.783 -7.033 1.00 0.00 O ATOM 0 H GLY A 75 -2.133 6.320 -5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -0.298 5.282 -6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.602 5.858 -8.205 1.00 0.00 H new ATOM 1150 N LYS A 76 0.287 8.486 -6.802 1.00 0.00 N ATOM 1151 CA LYS A 76 1.321 9.462 -6.510 1.00 0.00 C ATOM 1152 C LYS A 76 1.886 9.147 -5.126 1.00 0.00 C ATOM 1153 O LYS A 76 1.136 8.751 -4.238 1.00 0.00 O ATOM 1154 CB LYS A 76 0.779 10.892 -6.511 1.00 0.00 C ATOM 1155 CG LYS A 76 0.133 11.319 -7.829 1.00 0.00 C ATOM 1156 CD LYS A 76 1.001 12.041 -8.859 1.00 0.00 C ATOM 1157 CE LYS A 76 0.059 12.281 -10.048 1.00 0.00 C ATOM 1158 NZ LYS A 76 0.459 13.381 -10.941 1.00 0.00 N ATOM 0 H LYS A 76 -0.657 8.871 -6.834 1.00 0.00 H new ATOM 0 HA LYS A 76 2.087 9.400 -7.283 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.045 10.990 -5.711 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.595 11.577 -6.281 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -0.275 10.427 -8.304 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -0.710 11.967 -7.592 1.00 0.00 H new ATOM 0 HD2 LYS A 76 1.390 12.980 -8.464 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.861 11.437 -9.148 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -0.007 11.363 -10.632 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.941 12.488 -9.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -0.232 13.470 -11.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 0.494 14.270 -10.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.399 13.181 -11.339 1.00 0.00 H new ATOM 1172 N PRO A 77 3.184 9.339 -4.902 1.00 0.00 N ATOM 1173 CA PRO A 77 3.836 9.032 -3.642 1.00 0.00 C ATOM 1174 C PRO A 77 3.393 9.987 -2.529 1.00 0.00 C ATOM 1175 O PRO A 77 3.084 11.157 -2.793 1.00 0.00 O ATOM 1176 CB PRO A 77 5.329 9.102 -3.938 1.00 0.00 C ATOM 1177 CG PRO A 77 5.449 9.941 -5.212 1.00 0.00 C ATOM 1178 CD PRO A 77 4.081 9.863 -5.893 1.00 0.00 C ATOM 0 HA PRO A 77 3.565 8.045 -3.266 1.00 0.00 H new ATOM 0 HB2 PRO A 77 5.873 9.561 -3.112 1.00 0.00 H new ATOM 0 HB3 PRO A 77 5.749 8.106 -4.082 1.00 0.00 H new ATOM 0 HG2 PRO A 77 5.711 10.973 -4.977 1.00 0.00 H new ATOM 0 HG3 PRO A 77 6.233 9.553 -5.863 1.00 0.00 H new ATOM 0 HD2 PRO A 77 3.757 10.846 -6.234 1.00 0.00 H new ATOM 0 HD3 PRO A 77 4.116 9.217 -6.770 1.00 0.00 H new ATOM 1186 N ILE A 78 3.406 9.504 -1.281 1.00 0.00 N ATOM 1187 CA ILE A 78 2.980 10.259 -0.105 1.00 0.00 C ATOM 1188 C ILE A 78 4.207 10.774 0.648 1.00 0.00 C ATOM 1189 O ILE A 78 5.237 10.097 0.720 1.00 0.00 O ATOM 1190 CB ILE A 78 2.057 9.417 0.816 1.00 0.00 C ATOM 1191 CG1 ILE A 78 2.657 8.080 1.303 1.00 0.00 C ATOM 1192 CG2 ILE A 78 0.753 9.086 0.081 1.00 0.00 C ATOM 1193 CD1 ILE A 78 2.001 7.544 2.582 1.00 0.00 C ATOM 0 H ILE A 78 3.720 8.559 -1.060 1.00 0.00 H new ATOM 0 HA ILE A 78 2.390 11.113 -0.437 1.00 0.00 H new ATOM 0 HB ILE A 78 1.903 10.043 1.695 1.00 0.00 H new ATOM 0 HG12 ILE A 78 2.555 7.336 0.513 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.724 8.213 1.480 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.109 8.495 0.732 1.00 0.00 H new ATOM 0 HG22 ILE A 78 0.244 10.011 -0.191 1.00 0.00 H new ATOM 0 HG23 ILE A 78 0.978 8.517 -0.821 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.472 6.603 2.866 1.00 0.00 H new ATOM 0 HD12 ILE A 78 2.126 8.269 3.386 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.938 7.379 2.404 1.00 0.00 H new