USER MOD reduce.3.24.130724 H: found=0, std=0, add=569, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 GLN : amide:sc= -1.16 K(o=-1.4,f=-3!) USER MOD Set 1.2: A 84 GLN : amide:sc= -0.264 K(o=-1.4,f=-3.9) USER MOD Set 2.1: A 26 CYS SG : rot 170:sc= -1.15! USER MOD Set 2.2: A 28 HIS : no HD1:sc= -0.386 X(o=-0.21,f=-0.54) USER MOD Set 2.3: A 53 TYR OH : rot 16:sc= 1.32 USER MOD Single : A 15 LYS NZ :NH3+ 162:sc= -0.0475 (180deg=-0.373) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= -1.85! (180deg=-1.91!) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 146:sc= -0.863 (180deg=-2.73!) USER MOD Single : A 37 CYS SG : rot 180:sc= -0.761 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 81:sc= -1.4 USER MOD Single : A 52 HIS : no HD1:sc= -0.158 X(o=-0.16,f=-0.041) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 151:sc= 1.67 (180deg=1.02) USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -4.19! K(o=-4.2!,f=-1.5) USER MOD Single : A 78 GLN : amide:sc= 0.354 X(o=0.35,f=-0.026) USER MOD Single : A 79 LYS NZ :NH3+ 157:sc= -0.0562 (180deg=-0.315) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 158 N PRO A 14 6.967 17.746 3.755 1.00 0.00 N ATOM 159 CA PRO A 14 8.045 16.757 3.843 1.00 0.00 C ATOM 160 C PRO A 14 8.259 16.014 2.530 1.00 0.00 C ATOM 161 O PRO A 14 7.641 16.335 1.514 1.00 0.00 O ATOM 162 CB PRO A 14 7.556 15.795 4.929 1.00 0.00 C ATOM 163 CG PRO A 14 6.072 15.922 4.906 1.00 0.00 C ATOM 164 CD PRO A 14 5.784 17.351 4.537 1.00 0.00 C ATOM 0 HA PRO A 14 9.006 17.221 4.066 1.00 0.00 H new ATOM 0 HB2 PRO A 14 7.869 14.772 4.722 1.00 0.00 H new ATOM 0 HB3 PRO A 14 7.961 16.061 5.905 1.00 0.00 H new ATOM 0 HG2 PRO A 14 5.633 15.236 4.182 1.00 0.00 H new ATOM 0 HG3 PRO A 14 5.644 15.676 5.878 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.868 17.438 3.952 1.00 0.00 H new ATOM 0 HD3 PRO A 14 5.659 17.977 5.421 1.00 0.00 H new ATOM 172 N LYS A 15 9.138 15.017 2.556 1.00 0.00 N ATOM 173 CA LYS A 15 9.433 14.226 1.367 1.00 0.00 C ATOM 174 C LYS A 15 9.032 12.768 1.571 1.00 0.00 C ATOM 175 O LYS A 15 9.313 12.160 2.604 1.00 0.00 O ATOM 176 CB LYS A 15 10.923 14.312 1.028 1.00 0.00 C ATOM 177 CG LYS A 15 11.217 14.184 -0.456 1.00 0.00 C ATOM 178 CD LYS A 15 11.410 12.733 -0.863 1.00 0.00 C ATOM 179 CE LYS A 15 11.931 12.618 -2.288 1.00 0.00 C ATOM 180 NZ LYS A 15 13.300 13.187 -2.426 1.00 0.00 N ATOM 0 H LYS A 15 9.658 14.738 3.388 1.00 0.00 H new ATOM 0 HA LYS A 15 8.854 14.633 0.538 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.314 15.264 1.387 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.455 13.526 1.564 1.00 0.00 H new ATOM 0 HG2 LYS A 15 10.397 14.618 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.113 14.754 -0.701 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.109 12.252 -0.179 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.463 12.201 -0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.942 11.570 -2.587 1.00 0.00 H new ATOM 0 HE3 LYS A 15 11.252 13.136 -2.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.738 12.830 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 13.242 14.225 -2.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 13.877 12.905 -1.608 1.00 0.00 H new ATOM 194 N PRO A 16 8.359 12.192 0.563 1.00 0.00 N ATOM 195 CA PRO A 16 7.906 10.799 0.608 1.00 0.00 C ATOM 196 C PRO A 16 9.065 9.810 0.529 1.00 0.00 C ATOM 197 O PRO A 16 9.863 9.846 -0.408 1.00 0.00 O ATOM 198 CB PRO A 16 7.014 10.676 -0.629 1.00 0.00 C ATOM 199 CG PRO A 16 7.514 11.723 -1.563 1.00 0.00 C ATOM 200 CD PRO A 16 7.989 12.857 -0.697 1.00 0.00 C ATOM 0 HA PRO A 16 7.396 10.566 1.543 1.00 0.00 H new ATOM 0 HB2 PRO A 16 7.087 9.683 -1.072 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.965 10.837 -0.378 1.00 0.00 H new ATOM 0 HG2 PRO A 16 8.325 11.339 -2.182 1.00 0.00 H new ATOM 0 HG3 PRO A 16 6.725 12.052 -2.239 1.00 0.00 H new ATOM 0 HD2 PRO A 16 8.838 13.374 -1.143 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.207 13.601 -0.544 1.00 0.00 H new ATOM 208 N LYS A 17 9.152 8.928 1.519 1.00 0.00 N ATOM 209 CA LYS A 17 10.211 7.927 1.561 1.00 0.00 C ATOM 210 C LYS A 17 10.144 7.011 0.344 1.00 0.00 C ATOM 211 O LYS A 17 11.173 6.615 -0.205 1.00 0.00 O ATOM 212 CB LYS A 17 10.107 7.098 2.843 1.00 0.00 C ATOM 213 CG LYS A 17 10.167 7.930 4.113 1.00 0.00 C ATOM 214 CD LYS A 17 10.321 7.055 5.346 1.00 0.00 C ATOM 215 CE LYS A 17 8.970 6.683 5.938 1.00 0.00 C ATOM 216 NZ LYS A 17 8.528 7.662 6.969 1.00 0.00 N ATOM 0 H LYS A 17 8.501 8.886 2.303 1.00 0.00 H new ATOM 0 HA LYS A 17 11.169 8.448 1.549 1.00 0.00 H new ATOM 0 HB2 LYS A 17 9.171 6.539 2.829 1.00 0.00 H new ATOM 0 HB3 LYS A 17 10.915 6.367 2.859 1.00 0.00 H new ATOM 0 HG2 LYS A 17 11.003 8.627 4.053 1.00 0.00 H new ATOM 0 HG3 LYS A 17 9.260 8.528 4.201 1.00 0.00 H new ATOM 0 HD2 LYS A 17 10.867 6.148 5.084 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.915 7.580 6.094 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.226 6.633 5.143 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.029 5.689 6.382 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.596 7.383 7.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.216 7.679 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 8.463 8.609 6.543 1.00 0.00 H new ATOM 230 N PHE A 18 8.928 6.680 -0.075 1.00 0.00 N ATOM 231 CA PHE A 18 8.727 5.811 -1.229 1.00 0.00 C ATOM 232 C PHE A 18 8.387 6.627 -2.472 1.00 0.00 C ATOM 233 O PHE A 18 8.098 7.820 -2.384 1.00 0.00 O ATOM 234 CB PHE A 18 7.611 4.802 -0.947 1.00 0.00 C ATOM 235 CG PHE A 18 7.675 4.208 0.431 1.00 0.00 C ATOM 236 CD1 PHE A 18 7.255 4.936 1.534 1.00 0.00 C ATOM 237 CD2 PHE A 18 8.153 2.922 0.625 1.00 0.00 C ATOM 238 CE1 PHE A 18 7.313 4.391 2.803 1.00 0.00 C ATOM 239 CE2 PHE A 18 8.213 2.373 1.891 1.00 0.00 C ATOM 240 CZ PHE A 18 7.792 3.108 2.982 1.00 0.00 C ATOM 0 H PHE A 18 8.066 7.000 0.367 1.00 0.00 H new ATOM 0 HA PHE A 18 9.657 5.272 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 18 6.647 5.293 -1.078 1.00 0.00 H new ATOM 0 HB3 PHE A 18 7.663 4.000 -1.683 1.00 0.00 H new ATOM 0 HD1 PHE A 18 6.879 5.939 1.400 1.00 0.00 H new ATOM 0 HD2 PHE A 18 8.483 2.342 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.984 4.968 3.654 1.00 0.00 H new ATOM 0 HE2 PHE A 18 8.589 1.370 2.028 1.00 0.00 H new ATOM 0 HZ PHE A 18 7.837 2.680 3.973 1.00 0.00 H new ATOM 250 N GLN A 19 8.426 5.975 -3.630 1.00 0.00 N ATOM 251 CA GLN A 19 8.124 6.641 -4.892 1.00 0.00 C ATOM 252 C GLN A 19 7.127 5.827 -5.711 1.00 0.00 C ATOM 253 O GLN A 19 6.887 4.655 -5.427 1.00 0.00 O ATOM 254 CB GLN A 19 9.405 6.860 -5.697 1.00 0.00 C ATOM 255 CG GLN A 19 9.783 5.676 -6.573 1.00 0.00 C ATOM 256 CD GLN A 19 11.122 5.862 -7.260 1.00 0.00 C ATOM 257 OE1 GLN A 19 12.119 5.251 -6.876 1.00 0.00 O ATOM 258 NE2 GLN A 19 11.151 6.710 -8.282 1.00 0.00 N ATOM 0 H GLN A 19 8.664 4.987 -3.720 1.00 0.00 H new ATOM 0 HA GLN A 19 7.677 7.609 -4.666 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.283 7.742 -6.326 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.225 7.069 -5.010 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.814 4.773 -5.963 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.010 5.525 -7.327 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.300 7.195 -8.566 1.00 0.00 H new ATOM 0 HE22 GLN A 19 12.024 6.876 -8.782 1.00 0.00 H new ATOM 267 N GLU A 20 6.549 6.459 -6.728 1.00 0.00 N ATOM 268 CA GLU A 20 5.578 5.793 -7.588 1.00 0.00 C ATOM 269 C GLU A 20 6.252 4.728 -8.448 1.00 0.00 C ATOM 270 O GLU A 20 7.303 4.968 -9.041 1.00 0.00 O ATOM 271 CB GLU A 20 4.870 6.814 -8.481 1.00 0.00 C ATOM 272 CG GLU A 20 4.076 7.853 -7.708 1.00 0.00 C ATOM 273 CD GLU A 20 3.935 9.160 -8.463 1.00 0.00 C ATOM 274 OE1 GLU A 20 4.971 9.714 -8.889 1.00 0.00 O ATOM 275 OE2 GLU A 20 2.790 9.630 -8.629 1.00 0.00 O ATOM 0 H GLU A 20 6.736 7.430 -6.976 1.00 0.00 H new ATOM 0 HA GLU A 20 4.840 5.306 -6.950 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.612 7.321 -9.097 1.00 0.00 H new ATOM 0 HB3 GLU A 20 4.199 6.287 -9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 20 3.085 7.457 -7.487 1.00 0.00 H new ATOM 0 HG3 GLU A 20 4.565 8.041 -6.752 1.00 0.00 H new ATOM 282 N GLY A 21 5.638 3.550 -8.510 1.00 0.00 N ATOM 283 CA GLY A 21 6.193 2.466 -9.299 1.00 0.00 C ATOM 284 C GLY A 21 6.969 1.473 -8.455 1.00 0.00 C ATOM 285 O GLY A 21 7.114 0.311 -8.831 1.00 0.00 O ATOM 0 H GLY A 21 4.767 3.327 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 21 5.386 1.947 -9.816 1.00 0.00 H new ATOM 0 HA3 GLY A 21 6.849 2.878 -10.066 1.00 0.00 H new ATOM 289 N GLU A 22 7.469 1.933 -7.313 1.00 0.00 N ATOM 290 CA GLU A 22 8.236 1.077 -6.416 1.00 0.00 C ATOM 291 C GLU A 22 7.310 0.236 -5.542 1.00 0.00 C ATOM 292 O GLU A 22 6.562 0.767 -4.722 1.00 0.00 O ATOM 293 CB GLU A 22 9.159 1.921 -5.534 1.00 0.00 C ATOM 294 CG GLU A 22 9.646 1.195 -4.292 1.00 0.00 C ATOM 295 CD GLU A 22 8.743 1.420 -3.094 1.00 0.00 C ATOM 296 OE1 GLU A 22 7.823 2.258 -3.192 1.00 0.00 O ATOM 297 OE2 GLU A 22 8.957 0.755 -2.058 1.00 0.00 O ATOM 0 H GLU A 22 7.357 2.893 -6.987 1.00 0.00 H new ATOM 0 HA GLU A 22 8.841 0.406 -7.026 1.00 0.00 H new ATOM 0 HB2 GLU A 22 10.021 2.236 -6.122 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.631 2.826 -5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.708 0.127 -4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.654 1.531 -4.051 1.00 0.00 H new ATOM 304 N ARG A 23 7.366 -1.079 -5.726 1.00 0.00 N ATOM 305 CA ARG A 23 6.532 -1.995 -4.957 1.00 0.00 C ATOM 306 C ARG A 23 6.601 -1.671 -3.467 1.00 0.00 C ATOM 307 O ARG A 23 7.636 -1.235 -2.963 1.00 0.00 O ATOM 308 CB ARG A 23 6.969 -3.441 -5.196 1.00 0.00 C ATOM 309 CG ARG A 23 5.953 -4.470 -4.729 1.00 0.00 C ATOM 310 CD ARG A 23 6.212 -5.832 -5.352 1.00 0.00 C ATOM 311 NE ARG A 23 5.521 -5.990 -6.630 1.00 0.00 N ATOM 312 CZ ARG A 23 5.851 -6.904 -7.535 1.00 0.00 C ATOM 313 NH1 ARG A 23 6.855 -7.738 -7.305 1.00 0.00 N ATOM 314 NH2 ARG A 23 5.174 -6.986 -8.674 1.00 0.00 N ATOM 0 H ARG A 23 7.980 -1.534 -6.401 1.00 0.00 H new ATOM 0 HA ARG A 23 5.501 -1.875 -5.291 1.00 0.00 H new ATOM 0 HB2 ARG A 23 7.155 -3.584 -6.260 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.914 -3.616 -4.681 1.00 0.00 H new ATOM 0 HG2 ARG A 23 5.990 -4.553 -3.643 1.00 0.00 H new ATOM 0 HG3 ARG A 23 4.949 -4.135 -4.989 1.00 0.00 H new ATOM 0 HD2 ARG A 23 7.284 -5.965 -5.500 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.886 -6.613 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 23 4.743 -5.364 -6.838 1.00 0.00 H new ATOM 0 HH11 ARG A 23 7.377 -7.679 -6.431 1.00 0.00 H new ATOM 0 HH12 ARG A 23 7.106 -8.439 -8.002 1.00 0.00 H new ATOM 0 HH21 ARG A 23 4.400 -6.347 -8.854 1.00 0.00 H new ATOM 0 HH22 ARG A 23 5.428 -7.688 -9.369 1.00 0.00 H new ATOM 328 N VAL A 24 5.492 -1.889 -2.767 1.00 0.00 N ATOM 329 CA VAL A 24 5.427 -1.622 -1.335 1.00 0.00 C ATOM 330 C VAL A 24 4.354 -2.473 -0.666 1.00 0.00 C ATOM 331 O VAL A 24 3.559 -3.132 -1.338 1.00 0.00 O ATOM 332 CB VAL A 24 5.137 -0.136 -1.054 1.00 0.00 C ATOM 333 CG1 VAL A 24 6.350 0.718 -1.391 1.00 0.00 C ATOM 334 CG2 VAL A 24 3.917 0.326 -1.836 1.00 0.00 C ATOM 0 H VAL A 24 4.626 -2.250 -3.168 1.00 0.00 H new ATOM 0 HA VAL A 24 6.402 -1.879 -0.920 1.00 0.00 H new ATOM 0 HB VAL A 24 4.925 -0.020 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 24 6.126 1.765 -1.186 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.198 0.402 -0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 24 6.597 0.600 -2.446 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.727 1.378 -1.625 1.00 0.00 H new ATOM 0 HG22 VAL A 24 4.098 0.197 -2.903 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.050 -0.265 -1.541 1.00 0.00 H new ATOM 344 N LEU A 25 4.335 -2.455 0.662 1.00 0.00 N ATOM 345 CA LEU A 25 3.358 -3.224 1.424 1.00 0.00 C ATOM 346 C LEU A 25 2.422 -2.302 2.199 1.00 0.00 C ATOM 347 O LEU A 25 2.863 -1.526 3.048 1.00 0.00 O ATOM 348 CB LEU A 25 4.069 -4.176 2.389 1.00 0.00 C ATOM 349 CG LEU A 25 4.967 -5.234 1.748 1.00 0.00 C ATOM 350 CD1 LEU A 25 5.887 -5.855 2.788 1.00 0.00 C ATOM 351 CD2 LEU A 25 4.128 -6.305 1.067 1.00 0.00 C ATOM 0 H LEU A 25 4.985 -1.916 1.234 1.00 0.00 H new ATOM 0 HA LEU A 25 2.763 -3.806 0.720 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.674 -3.582 3.074 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.314 -4.684 2.989 1.00 0.00 H new ATOM 0 HG LEU A 25 5.584 -4.749 0.991 1.00 0.00 H new ATOM 0 HD11 LEU A 25 6.519 -6.606 2.313 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.514 -5.080 3.229 1.00 0.00 H new ATOM 0 HD13 LEU A 25 5.289 -6.325 3.569 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.784 -7.049 0.616 1.00 0.00 H new ATOM 0 HD22 LEU A 25 3.485 -6.787 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.513 -5.847 0.292 1.00 0.00 H new ATOM 363 N CYS A 26 1.131 -2.393 1.902 1.00 0.00 N ATOM 364 CA CYS A 26 0.132 -1.568 2.572 1.00 0.00 C ATOM 365 C CYS A 26 -0.552 -2.344 3.693 1.00 0.00 C ATOM 366 O CYS A 26 -0.693 -3.565 3.621 1.00 0.00 O ATOM 367 CB CYS A 26 -0.910 -1.075 1.567 1.00 0.00 C ATOM 368 SG CYS A 26 -2.486 -0.596 2.313 1.00 0.00 S ATOM 0 H CYS A 26 0.751 -3.030 1.202 1.00 0.00 H new ATOM 0 HA CYS A 26 0.641 -0.708 3.008 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -0.502 -0.221 1.026 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -1.091 -1.860 0.833 1.00 0.00 H new ATOM 0 HG CYS A 26 -3.222 0.003 1.425 1.00 0.00 H new ATOM 374 N PHE A 27 -0.973 -1.627 4.730 1.00 0.00 N ATOM 375 CA PHE A 27 -1.640 -2.249 5.868 1.00 0.00 C ATOM 376 C PHE A 27 -3.156 -2.135 5.739 1.00 0.00 C ATOM 377 O PHE A 27 -3.737 -1.084 6.013 1.00 0.00 O ATOM 378 CB PHE A 27 -1.178 -1.600 7.174 1.00 0.00 C ATOM 379 CG PHE A 27 0.031 -2.257 7.776 1.00 0.00 C ATOM 380 CD1 PHE A 27 -0.029 -3.565 8.229 1.00 0.00 C ATOM 381 CD2 PHE A 27 1.227 -1.567 7.888 1.00 0.00 C ATOM 382 CE1 PHE A 27 1.082 -4.173 8.783 1.00 0.00 C ATOM 383 CE2 PHE A 27 2.342 -2.170 8.440 1.00 0.00 C ATOM 384 CZ PHE A 27 2.268 -3.474 8.890 1.00 0.00 C ATOM 0 H PHE A 27 -0.864 -0.616 4.806 1.00 0.00 H new ATOM 0 HA PHE A 27 -1.373 -3.306 5.881 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -0.956 -0.549 6.989 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.995 -1.631 7.895 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -0.954 -4.116 8.148 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.289 -0.546 7.540 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.022 -5.193 9.132 1.00 0.00 H new ATOM 0 HE2 PHE A 27 3.269 -1.622 8.519 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.137 -3.946 9.325 1.00 0.00 H new ATOM 394 N HIS A 28 -3.792 -3.224 5.319 1.00 0.00 N ATOM 395 CA HIS A 28 -5.241 -3.248 5.153 1.00 0.00 C ATOM 396 C HIS A 28 -5.900 -4.083 6.246 1.00 0.00 C ATOM 397 O HIS A 28 -6.887 -4.775 6.002 1.00 0.00 O ATOM 398 CB HIS A 28 -5.609 -3.805 3.778 1.00 0.00 C ATOM 399 CG HIS A 28 -7.045 -3.593 3.411 1.00 0.00 C ATOM 400 ND1 HIS A 28 -7.743 -4.445 2.580 1.00 0.00 N ATOM 401 CD2 HIS A 28 -7.917 -2.621 3.767 1.00 0.00 C ATOM 402 CE1 HIS A 28 -8.981 -4.004 2.441 1.00 0.00 C ATOM 403 NE2 HIS A 28 -9.112 -2.899 3.152 1.00 0.00 N ATOM 0 H HIS A 28 -3.327 -4.102 5.087 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.607 -2.224 5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.977 -3.336 3.024 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -5.391 -4.873 3.757 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.711 -1.782 4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -9.754 -4.468 1.847 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.963 -2.342 3.231 1.00 0.00 H new ATOM 412 N GLY A 29 -5.345 -4.015 7.453 1.00 0.00 N ATOM 413 CA GLY A 29 -5.891 -4.770 8.565 1.00 0.00 C ATOM 414 C GLY A 29 -4.837 -5.590 9.282 1.00 0.00 C ATOM 415 O GLY A 29 -3.648 -5.271 9.256 1.00 0.00 O ATOM 0 H GLY A 29 -4.527 -3.450 7.680 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.356 -4.084 9.272 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.676 -5.432 8.200 1.00 0.00 H new ATOM 419 N PRO A 30 -5.273 -6.673 9.943 1.00 0.00 N ATOM 420 CA PRO A 30 -4.374 -7.562 10.685 1.00 0.00 C ATOM 421 C PRO A 30 -3.466 -8.369 9.763 1.00 0.00 C ATOM 422 O PRO A 30 -2.691 -9.211 10.218 1.00 0.00 O ATOM 423 CB PRO A 30 -5.333 -8.489 11.436 1.00 0.00 C ATOM 424 CG PRO A 30 -6.579 -8.487 10.621 1.00 0.00 C ATOM 425 CD PRO A 30 -6.676 -7.113 10.017 1.00 0.00 C ATOM 0 HA PRO A 30 -3.698 -7.008 11.336 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -4.921 -9.494 11.527 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -5.521 -8.129 12.447 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -6.540 -9.252 9.846 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.450 -8.704 11.239 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.141 -7.139 9.032 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -7.275 -6.444 10.635 1.00 0.00 H new ATOM 433 N LEU A 31 -3.566 -8.107 8.464 1.00 0.00 N ATOM 434 CA LEU A 31 -2.753 -8.809 7.477 1.00 0.00 C ATOM 435 C LEU A 31 -2.258 -7.850 6.398 1.00 0.00 C ATOM 436 O LEU A 31 -2.974 -6.934 5.991 1.00 0.00 O ATOM 437 CB LEU A 31 -3.557 -9.943 6.838 1.00 0.00 C ATOM 438 CG LEU A 31 -4.153 -10.969 7.802 1.00 0.00 C ATOM 439 CD1 LEU A 31 -5.384 -11.621 7.193 1.00 0.00 C ATOM 440 CD2 LEU A 31 -3.116 -12.020 8.170 1.00 0.00 C ATOM 0 H LEU A 31 -4.202 -7.414 8.070 1.00 0.00 H new ATOM 0 HA LEU A 31 -1.887 -9.230 7.988 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.369 -9.504 6.259 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.911 -10.468 6.134 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.455 -10.452 8.713 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.795 -12.348 7.893 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.133 -10.858 6.982 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.108 -12.125 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.558 -12.742 8.857 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.783 -12.534 7.268 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.264 -11.538 8.649 1.00 0.00 H new ATOM 452 N LEU A 32 -1.032 -8.069 5.938 1.00 0.00 N ATOM 453 CA LEU A 32 -0.441 -7.226 4.904 1.00 0.00 C ATOM 454 C LEU A 32 -0.730 -7.785 3.515 1.00 0.00 C ATOM 455 O LEU A 32 -0.796 -9.000 3.325 1.00 0.00 O ATOM 456 CB LEU A 32 1.069 -7.108 5.115 1.00 0.00 C ATOM 457 CG LEU A 32 1.531 -5.991 6.052 1.00 0.00 C ATOM 458 CD1 LEU A 32 2.978 -6.206 6.466 1.00 0.00 C ATOM 459 CD2 LEU A 32 1.361 -4.633 5.386 1.00 0.00 C ATOM 0 H LEU A 32 -0.427 -8.823 6.264 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.890 -6.235 4.977 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.436 -8.057 5.505 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.541 -6.959 4.144 1.00 0.00 H new ATOM 0 HG LEU A 32 0.911 -6.015 6.948 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.289 -5.402 7.132 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.071 -7.161 6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.613 -6.209 5.580 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.694 -3.850 6.067 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.956 -4.598 4.473 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.311 -4.477 5.140 1.00 0.00 H new ATOM 471 N TYR A 33 -0.898 -6.892 2.546 1.00 0.00 N ATOM 472 CA TYR A 33 -1.179 -7.297 1.174 1.00 0.00 C ATOM 473 C TYR A 33 -0.197 -6.649 0.203 1.00 0.00 C ATOM 474 O TYR A 33 0.249 -5.522 0.415 1.00 0.00 O ATOM 475 CB TYR A 33 -2.613 -6.922 0.793 1.00 0.00 C ATOM 476 CG TYR A 33 -3.655 -7.474 1.739 1.00 0.00 C ATOM 477 CD1 TYR A 33 -3.845 -6.916 2.997 1.00 0.00 C ATOM 478 CD2 TYR A 33 -4.450 -8.554 1.375 1.00 0.00 C ATOM 479 CE1 TYR A 33 -4.795 -7.418 3.865 1.00 0.00 C ATOM 480 CE2 TYR A 33 -5.404 -9.062 2.236 1.00 0.00 C ATOM 481 CZ TYR A 33 -5.572 -8.491 3.480 1.00 0.00 C ATOM 482 OH TYR A 33 -6.521 -8.993 4.341 1.00 0.00 O ATOM 0 H TYR A 33 -0.844 -5.883 2.685 1.00 0.00 H new ATOM 0 HA TYR A 33 -1.064 -8.379 1.110 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.700 -5.836 0.764 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.819 -7.286 -0.214 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.239 -6.075 3.302 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.320 -9.004 0.402 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.929 -6.973 4.840 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -6.014 -9.901 1.937 1.00 0.00 H new ATOM 0 HH TYR A 33 -6.982 -9.747 3.917 1.00 0.00 H new ATOM 492 N GLU A 34 0.134 -7.370 -0.864 1.00 0.00 N ATOM 493 CA GLU A 34 1.063 -6.866 -1.868 1.00 0.00 C ATOM 494 C GLU A 34 0.436 -5.726 -2.666 1.00 0.00 C ATOM 495 O GLU A 34 -0.728 -5.796 -3.058 1.00 0.00 O ATOM 496 CB GLU A 34 1.487 -7.992 -2.813 1.00 0.00 C ATOM 497 CG GLU A 34 2.277 -7.510 -4.018 1.00 0.00 C ATOM 498 CD GLU A 34 2.488 -8.599 -5.052 1.00 0.00 C ATOM 499 OE1 GLU A 34 2.872 -9.721 -4.660 1.00 0.00 O ATOM 500 OE2 GLU A 34 2.270 -8.330 -6.251 1.00 0.00 O ATOM 0 H GLU A 34 -0.227 -8.305 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 34 1.944 -6.484 -1.352 1.00 0.00 H new ATOM 0 HB2 GLU A 34 2.089 -8.713 -2.259 1.00 0.00 H new ATOM 0 HB3 GLU A 34 0.598 -8.519 -3.159 1.00 0.00 H new ATOM 0 HG2 GLU A 34 1.753 -6.673 -4.480 1.00 0.00 H new ATOM 0 HG3 GLU A 34 3.246 -7.136 -3.687 1.00 0.00 H new ATOM 507 N ALA A 35 1.217 -4.677 -2.901 1.00 0.00 N ATOM 508 CA ALA A 35 0.740 -3.523 -3.652 1.00 0.00 C ATOM 509 C ALA A 35 1.905 -2.698 -4.190 1.00 0.00 C ATOM 510 O ALA A 35 3.067 -2.988 -3.907 1.00 0.00 O ATOM 511 CB ALA A 35 -0.161 -2.661 -2.781 1.00 0.00 C ATOM 0 H ALA A 35 2.183 -4.603 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 35 0.164 -3.888 -4.502 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -0.510 -1.803 -3.356 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -1.018 -3.248 -2.450 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.398 -2.313 -1.912 1.00 0.00 H new ATOM 517 N LYS A 36 1.586 -1.669 -4.967 1.00 0.00 N ATOM 518 CA LYS A 36 2.605 -0.800 -5.544 1.00 0.00 C ATOM 519 C LYS A 36 2.191 0.664 -5.446 1.00 0.00 C ATOM 520 O LYS A 36 1.013 0.996 -5.580 1.00 0.00 O ATOM 521 CB LYS A 36 2.854 -1.174 -7.007 1.00 0.00 C ATOM 522 CG LYS A 36 3.808 -0.233 -7.721 1.00 0.00 C ATOM 523 CD LYS A 36 3.067 0.916 -8.383 1.00 0.00 C ATOM 524 CE LYS A 36 2.412 0.481 -9.685 1.00 0.00 C ATOM 525 NZ LYS A 36 1.034 -0.040 -9.465 1.00 0.00 N ATOM 0 H LYS A 36 0.629 -1.416 -5.212 1.00 0.00 H new ATOM 0 HA LYS A 36 3.526 -0.937 -4.978 1.00 0.00 H new ATOM 0 HB2 LYS A 36 3.255 -2.187 -7.051 1.00 0.00 H new ATOM 0 HB3 LYS A 36 1.902 -1.184 -7.538 1.00 0.00 H new ATOM 0 HG2 LYS A 36 4.532 0.162 -7.008 1.00 0.00 H new ATOM 0 HG3 LYS A 36 4.371 -0.786 -8.473 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.307 1.300 -7.703 1.00 0.00 H new ATOM 0 HD3 LYS A 36 3.761 1.733 -8.579 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.376 1.325 -10.373 1.00 0.00 H new ATOM 0 HE3 LYS A 36 3.021 -0.290 -10.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.435 0.207 -10.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.066 -1.074 -9.361 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.637 0.383 -8.602 1.00 0.00 H new ATOM 539 N CYS A 37 3.167 1.536 -5.214 1.00 0.00 N ATOM 540 CA CYS A 37 2.903 2.966 -5.099 1.00 0.00 C ATOM 541 C CYS A 37 2.377 3.529 -6.415 1.00 0.00 C ATOM 542 O CYS A 37 3.130 3.702 -7.374 1.00 0.00 O ATOM 543 CB CYS A 37 4.175 3.708 -4.684 1.00 0.00 C ATOM 544 SG CYS A 37 3.874 5.332 -3.948 1.00 0.00 S ATOM 0 H CYS A 37 4.147 1.278 -5.102 1.00 0.00 H new ATOM 0 HA CYS A 37 2.141 3.110 -4.333 1.00 0.00 H new ATOM 0 HB2 CYS A 37 4.725 3.094 -3.971 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.814 3.830 -5.559 1.00 0.00 H new ATOM 0 HG CYS A 37 5.008 5.881 -3.628 1.00 0.00 H new ATOM 550 N VAL A 38 1.079 3.813 -6.455 1.00 0.00 N ATOM 551 CA VAL A 38 0.452 4.356 -7.654 1.00 0.00 C ATOM 552 C VAL A 38 0.628 5.868 -7.729 1.00 0.00 C ATOM 553 O VAL A 38 0.936 6.417 -8.787 1.00 0.00 O ATOM 554 CB VAL A 38 -1.051 4.022 -7.701 1.00 0.00 C ATOM 555 CG1 VAL A 38 -1.608 4.260 -9.096 1.00 0.00 C ATOM 556 CG2 VAL A 38 -1.292 2.586 -7.260 1.00 0.00 C ATOM 0 H VAL A 38 0.441 3.676 -5.671 1.00 0.00 H new ATOM 0 HA VAL A 38 0.947 3.893 -8.508 1.00 0.00 H new ATOM 0 HB VAL A 38 -1.574 4.683 -7.010 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.671 4.019 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -1.470 5.306 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.083 3.626 -9.810 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -2.359 2.368 -7.299 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -0.758 1.907 -7.924 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.932 2.453 -6.240 1.00 0.00 H new ATOM 566 N LYS A 39 0.431 6.538 -6.598 1.00 0.00 N ATOM 567 CA LYS A 39 0.570 7.988 -6.533 1.00 0.00 C ATOM 568 C LYS A 39 1.112 8.423 -5.175 1.00 0.00 C ATOM 569 O LYS A 39 1.045 7.674 -4.201 1.00 0.00 O ATOM 570 CB LYS A 39 -0.779 8.662 -6.795 1.00 0.00 C ATOM 571 CG LYS A 39 -1.321 8.417 -8.193 1.00 0.00 C ATOM 572 CD LYS A 39 -2.449 9.376 -8.531 1.00 0.00 C ATOM 573 CE LYS A 39 -3.338 8.826 -9.636 1.00 0.00 C ATOM 574 NZ LYS A 39 -4.010 9.912 -10.400 1.00 0.00 N ATOM 0 H LYS A 39 0.174 6.099 -5.714 1.00 0.00 H new ATOM 0 HA LYS A 39 1.279 8.295 -7.302 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -1.504 8.301 -6.065 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -0.676 9.736 -6.638 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.517 8.529 -8.920 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.680 7.391 -8.270 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.048 9.563 -7.640 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.032 10.334 -8.841 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.739 8.221 -10.316 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -4.091 8.168 -9.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -4.606 9.496 -11.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -4.602 10.475 -9.756 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.292 10.526 -10.835 1.00 0.00 H new ATOM 588 N VAL A 40 1.647 9.638 -5.118 1.00 0.00 N ATOM 589 CA VAL A 40 2.198 10.173 -3.879 1.00 0.00 C ATOM 590 C VAL A 40 1.780 11.625 -3.673 1.00 0.00 C ATOM 591 O VAL A 40 2.280 12.527 -4.344 1.00 0.00 O ATOM 592 CB VAL A 40 3.736 10.088 -3.866 1.00 0.00 C ATOM 593 CG1 VAL A 40 4.301 10.813 -2.654 1.00 0.00 C ATOM 594 CG2 VAL A 40 4.188 8.635 -3.886 1.00 0.00 C ATOM 0 H VAL A 40 1.711 10.271 -5.916 1.00 0.00 H new ATOM 0 HA VAL A 40 1.800 9.564 -3.067 1.00 0.00 H new ATOM 0 HB VAL A 40 4.118 10.577 -4.762 1.00 0.00 H new ATOM 0 HG11 VAL A 40 5.389 10.742 -2.662 1.00 0.00 H new ATOM 0 HG12 VAL A 40 4.005 11.862 -2.687 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.914 10.355 -1.743 1.00 0.00 H new ATOM 0 HG21 VAL A 40 5.277 8.593 -3.877 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.797 8.120 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.814 8.150 -4.788 1.00 0.00 H new ATOM 604 N ALA A 41 0.858 11.842 -2.741 1.00 0.00 N ATOM 605 CA ALA A 41 0.373 13.184 -2.444 1.00 0.00 C ATOM 606 C ALA A 41 0.719 13.590 -1.015 1.00 0.00 C ATOM 607 O ALA A 41 1.015 12.741 -0.174 1.00 0.00 O ATOM 608 CB ALA A 41 -1.130 13.264 -2.669 1.00 0.00 C ATOM 0 H ALA A 41 0.432 11.105 -2.179 1.00 0.00 H new ATOM 0 HA ALA A 41 0.868 13.880 -3.121 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.479 14.272 -2.443 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.355 13.026 -3.709 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -1.634 12.551 -2.016 1.00 0.00 H new ATOM 614 N ILE A 42 0.679 14.891 -0.748 1.00 0.00 N ATOM 615 CA ILE A 42 0.988 15.407 0.579 1.00 0.00 C ATOM 616 C ILE A 42 -0.017 16.474 1.002 1.00 0.00 C ATOM 617 O ILE A 42 -0.114 17.532 0.380 1.00 0.00 O ATOM 618 CB ILE A 42 2.407 16.004 0.635 1.00 0.00 C ATOM 619 CG1 ILE A 42 3.442 14.952 0.233 1.00 0.00 C ATOM 620 CG2 ILE A 42 2.702 16.539 2.028 1.00 0.00 C ATOM 621 CD1 ILE A 42 4.807 15.531 -0.068 1.00 0.00 C ATOM 0 H ILE A 42 0.436 15.606 -1.433 1.00 0.00 H new ATOM 0 HA ILE A 42 0.930 14.563 1.267 1.00 0.00 H new ATOM 0 HB ILE A 42 2.465 16.832 -0.071 1.00 0.00 H new ATOM 0 HG12 ILE A 42 3.536 14.221 1.036 1.00 0.00 H new ATOM 0 HG13 ILE A 42 3.082 14.417 -0.645 1.00 0.00 H new ATOM 0 HG21 ILE A 42 3.708 16.957 2.051 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.980 17.316 2.280 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.630 15.728 2.752 1.00 0.00 H new ATOM 0 HD11 ILE A 42 5.490 14.728 -0.346 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.728 16.241 -0.891 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.189 16.042 0.816 1.00 0.00 H new ATOM 633 N LYS A 43 -0.761 16.189 2.064 1.00 0.00 N ATOM 634 CA LYS A 43 -1.757 17.124 2.574 1.00 0.00 C ATOM 635 C LYS A 43 -1.943 16.955 4.078 1.00 0.00 C ATOM 636 O LYS A 43 -1.481 15.976 4.664 1.00 0.00 O ATOM 637 CB LYS A 43 -3.094 16.917 1.858 1.00 0.00 C ATOM 638 CG LYS A 43 -3.585 15.480 1.890 1.00 0.00 C ATOM 639 CD LYS A 43 -4.826 15.296 1.033 1.00 0.00 C ATOM 640 CE LYS A 43 -6.055 15.904 1.692 1.00 0.00 C ATOM 641 NZ LYS A 43 -7.133 16.186 0.704 1.00 0.00 N ATOM 0 H LYS A 43 -0.693 15.317 2.589 1.00 0.00 H new ATOM 0 HA LYS A 43 -1.401 18.136 2.381 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.846 17.559 2.317 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.994 17.235 0.820 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -2.796 14.817 1.536 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.806 15.193 2.918 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.668 15.758 0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -4.994 14.233 0.858 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -6.432 15.223 2.456 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -5.776 16.828 2.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.953 16.599 1.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.782 16.855 -0.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.418 15.301 0.239 1.00 0.00 H new ATOM 655 N ASP A 44 -2.623 17.914 4.697 1.00 0.00 N ATOM 656 CA ASP A 44 -2.872 17.870 6.133 1.00 0.00 C ATOM 657 C ASP A 44 -1.582 17.599 6.901 1.00 0.00 C ATOM 658 O ASP A 44 -1.590 16.931 7.935 1.00 0.00 O ATOM 659 CB ASP A 44 -3.909 16.794 6.460 1.00 0.00 C ATOM 660 CG ASP A 44 -4.695 17.110 7.718 1.00 0.00 C ATOM 661 OD1 ASP A 44 -5.314 18.193 7.773 1.00 0.00 O ATOM 662 OD2 ASP A 44 -4.689 16.275 8.647 1.00 0.00 O ATOM 0 H ASP A 44 -3.012 18.731 4.227 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.259 18.842 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -4.598 16.690 5.621 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.407 15.834 6.580 1.00 0.00 H new ATOM 667 N LYS A 45 -0.473 18.121 6.387 1.00 0.00 N ATOM 668 CA LYS A 45 0.826 17.936 7.022 1.00 0.00 C ATOM 669 C LYS A 45 1.185 16.456 7.107 1.00 0.00 C ATOM 670 O LYS A 45 1.892 16.032 8.021 1.00 0.00 O ATOM 671 CB LYS A 45 0.824 18.553 8.423 1.00 0.00 C ATOM 672 CG LYS A 45 1.207 20.022 8.441 1.00 0.00 C ATOM 673 CD LYS A 45 -0.011 20.918 8.290 1.00 0.00 C ATOM 674 CE LYS A 45 -0.301 21.223 6.829 1.00 0.00 C ATOM 675 NZ LYS A 45 0.479 22.395 6.342 1.00 0.00 N ATOM 0 H LYS A 45 -0.448 18.676 5.532 1.00 0.00 H new ATOM 0 HA LYS A 45 1.576 18.439 6.411 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -0.168 18.440 8.859 1.00 0.00 H new ATOM 0 HB3 LYS A 45 1.516 17.998 9.056 1.00 0.00 H new ATOM 0 HG2 LYS A 45 1.717 20.254 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 45 1.911 20.225 7.634 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -0.878 20.435 8.741 1.00 0.00 H new ATOM 0 HD3 LYS A 45 0.152 21.850 8.832 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -0.062 20.350 6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -1.366 21.418 6.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 0.254 22.571 5.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 0.233 23.234 6.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 1.496 22.200 6.438 1.00 0.00 H new ATOM 689 N GLN A 46 0.694 15.677 6.149 1.00 0.00 N ATOM 690 CA GLN A 46 0.965 14.245 6.117 1.00 0.00 C ATOM 691 C GLN A 46 1.175 13.763 4.685 1.00 0.00 C ATOM 692 O GLN A 46 0.575 14.289 3.747 1.00 0.00 O ATOM 693 CB GLN A 46 -0.186 13.472 6.764 1.00 0.00 C ATOM 694 CG GLN A 46 -1.431 13.395 5.895 1.00 0.00 C ATOM 695 CD GLN A 46 -2.291 12.188 6.214 1.00 0.00 C ATOM 696 OE1 GLN A 46 -1.780 11.110 6.520 1.00 0.00 O ATOM 697 NE2 GLN A 46 -3.606 12.361 6.143 1.00 0.00 N ATOM 0 H GLN A 46 0.107 16.013 5.385 1.00 0.00 H new ATOM 0 HA GLN A 46 1.879 14.061 6.681 1.00 0.00 H new ATOM 0 HB2 GLN A 46 0.150 12.461 6.993 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -0.443 13.945 7.712 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -2.020 14.302 6.030 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -1.136 13.359 4.846 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -3.987 13.271 5.886 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -4.234 11.584 6.346 1.00 0.00 H new ATOM 706 N VAL A 47 2.030 12.758 4.523 1.00 0.00 N ATOM 707 CA VAL A 47 2.319 12.204 3.206 1.00 0.00 C ATOM 708 C VAL A 47 1.544 10.913 2.971 1.00 0.00 C ATOM 709 O VAL A 47 1.634 9.969 3.756 1.00 0.00 O ATOM 710 CB VAL A 47 3.824 11.926 3.032 1.00 0.00 C ATOM 711 CG1 VAL A 47 4.126 11.500 1.603 1.00 0.00 C ATOM 712 CG2 VAL A 47 4.640 13.151 3.416 1.00 0.00 C ATOM 0 H VAL A 47 2.535 12.311 5.288 1.00 0.00 H new ATOM 0 HA VAL A 47 2.008 12.949 2.474 1.00 0.00 H new ATOM 0 HB VAL A 47 4.104 11.109 3.696 1.00 0.00 H new ATOM 0 HG11 VAL A 47 5.194 11.308 1.499 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.569 10.593 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 47 3.831 12.294 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 47 5.701 12.937 3.287 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.359 13.990 2.779 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.445 13.406 4.458 1.00 0.00 H new ATOM 722 N LYS A 48 0.781 10.877 1.883 1.00 0.00 N ATOM 723 CA LYS A 48 -0.010 9.701 1.541 1.00 0.00 C ATOM 724 C LYS A 48 0.505 9.052 0.261 1.00 0.00 C ATOM 725 O LYS A 48 1.393 9.587 -0.404 1.00 0.00 O ATOM 726 CB LYS A 48 -1.483 10.082 1.375 1.00 0.00 C ATOM 727 CG LYS A 48 -2.172 10.430 2.683 1.00 0.00 C ATOM 728 CD LYS A 48 -3.653 10.091 2.641 1.00 0.00 C ATOM 729 CE LYS A 48 -4.254 10.044 4.037 1.00 0.00 C ATOM 730 NZ LYS A 48 -5.542 9.296 4.061 1.00 0.00 N ATOM 0 H LYS A 48 0.694 11.650 1.223 1.00 0.00 H new ATOM 0 HA LYS A 48 0.084 8.982 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.555 10.933 0.698 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -2.013 9.254 0.904 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -1.697 9.888 3.501 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -2.047 11.493 2.890 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -4.180 10.833 2.042 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -3.793 9.128 2.151 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.548 9.573 4.721 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.417 11.060 4.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.920 9.286 5.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.224 9.760 3.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.382 8.319 3.742 1.00 0.00 H new ATOM 744 N TYR A 49 -0.058 7.898 -0.080 1.00 0.00 N ATOM 745 CA TYR A 49 0.346 7.176 -1.281 1.00 0.00 C ATOM 746 C TYR A 49 -0.795 6.308 -1.804 1.00 0.00 C ATOM 747 O TYR A 49 -1.365 5.502 -1.069 1.00 0.00 O ATOM 748 CB TYR A 49 1.571 6.307 -0.991 1.00 0.00 C ATOM 749 CG TYR A 49 2.665 7.034 -0.243 1.00 0.00 C ATOM 750 CD1 TYR A 49 2.492 7.419 1.081 1.00 0.00 C ATOM 751 CD2 TYR A 49 3.874 7.334 -0.859 1.00 0.00 C ATOM 752 CE1 TYR A 49 3.489 8.084 1.768 1.00 0.00 C ATOM 753 CE2 TYR A 49 4.877 7.997 -0.179 1.00 0.00 C ATOM 754 CZ TYR A 49 4.679 8.370 1.134 1.00 0.00 C ATOM 755 OH TYR A 49 5.676 9.031 1.816 1.00 0.00 O ATOM 0 H TYR A 49 -0.795 7.443 0.458 1.00 0.00 H new ATOM 0 HA TYR A 49 0.602 7.909 -2.046 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.261 5.438 -0.410 1.00 0.00 H new ATOM 0 HB3 TYR A 49 1.973 5.934 -1.933 1.00 0.00 H new ATOM 0 HD1 TYR A 49 1.562 7.194 1.582 1.00 0.00 H new ATOM 0 HD2 TYR A 49 4.032 7.044 -1.887 1.00 0.00 H new ATOM 0 HE1 TYR A 49 3.337 8.378 2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 49 5.811 8.222 -0.673 1.00 0.00 H new ATOM 0 HH TYR A 49 6.168 8.394 2.375 1.00 0.00 H new ATOM 765 N PHE A 50 -1.122 6.480 -3.081 1.00 0.00 N ATOM 766 CA PHE A 50 -2.195 5.714 -3.704 1.00 0.00 C ATOM 767 C PHE A 50 -1.751 4.279 -3.976 1.00 0.00 C ATOM 768 O PHE A 50 -1.093 4.001 -4.979 1.00 0.00 O ATOM 769 CB PHE A 50 -2.634 6.380 -5.010 1.00 0.00 C ATOM 770 CG PHE A 50 -3.840 5.739 -5.634 1.00 0.00 C ATOM 771 CD1 PHE A 50 -4.907 5.329 -4.850 1.00 0.00 C ATOM 772 CD2 PHE A 50 -3.907 5.545 -7.004 1.00 0.00 C ATOM 773 CE1 PHE A 50 -6.018 4.738 -5.422 1.00 0.00 C ATOM 774 CE2 PHE A 50 -5.016 4.955 -7.582 1.00 0.00 C ATOM 775 CZ PHE A 50 -6.073 4.552 -6.790 1.00 0.00 C ATOM 0 H PHE A 50 -0.660 7.142 -3.704 1.00 0.00 H new ATOM 0 HA PHE A 50 -3.039 5.691 -3.015 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.850 7.431 -4.818 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -1.808 6.349 -5.720 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -4.870 5.473 -3.780 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -3.083 5.858 -7.628 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -6.842 4.422 -4.800 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -5.055 4.810 -8.651 1.00 0.00 H new ATOM 0 HZ PHE A 50 -6.941 4.092 -7.239 1.00 0.00 H new ATOM 785 N ILE A 51 -2.116 3.373 -3.076 1.00 0.00 N ATOM 786 CA ILE A 51 -1.757 1.967 -3.218 1.00 0.00 C ATOM 787 C ILE A 51 -2.733 1.241 -4.137 1.00 0.00 C ATOM 788 O ILE A 51 -3.900 1.620 -4.246 1.00 0.00 O ATOM 789 CB ILE A 51 -1.725 1.253 -1.854 1.00 0.00 C ATOM 790 CG1 ILE A 51 -0.755 1.961 -0.906 1.00 0.00 C ATOM 791 CG2 ILE A 51 -1.332 -0.206 -2.029 1.00 0.00 C ATOM 792 CD1 ILE A 51 0.691 1.871 -1.342 1.00 0.00 C ATOM 0 H ILE A 51 -2.660 3.587 -2.240 1.00 0.00 H new ATOM 0 HA ILE A 51 -0.759 1.939 -3.656 1.00 0.00 H new ATOM 0 HB ILE A 51 -2.723 1.291 -1.417 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -1.038 3.011 -0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.853 1.529 0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -1.314 -0.697 -1.056 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -2.057 -0.703 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -0.343 -0.264 -2.483 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.321 2.395 -0.623 1.00 0.00 H new ATOM 0 HD12 ILE A 51 0.991 0.824 -1.393 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.804 2.329 -2.325 1.00 0.00 H new ATOM 804 N HIS A 52 -2.249 0.192 -4.795 1.00 0.00 N ATOM 805 CA HIS A 52 -3.080 -0.590 -5.703 1.00 0.00 C ATOM 806 C HIS A 52 -3.004 -2.076 -5.366 1.00 0.00 C ATOM 807 O HIS A 52 -2.121 -2.788 -5.847 1.00 0.00 O ATOM 808 CB HIS A 52 -2.645 -0.361 -7.151 1.00 0.00 C ATOM 809 CG HIS A 52 -3.219 -1.355 -8.113 1.00 0.00 C ATOM 810 ND1 HIS A 52 -4.538 -1.337 -8.517 1.00 0.00 N ATOM 811 CD2 HIS A 52 -2.646 -2.401 -8.754 1.00 0.00 C ATOM 812 CE1 HIS A 52 -4.751 -2.329 -9.363 1.00 0.00 C ATOM 813 NE2 HIS A 52 -3.618 -2.990 -9.524 1.00 0.00 N ATOM 0 H HIS A 52 -1.286 -0.136 -4.716 1.00 0.00 H new ATOM 0 HA HIS A 52 -4.112 -0.261 -5.585 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -2.943 0.642 -7.457 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -1.557 -0.401 -7.206 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -1.615 -2.714 -8.674 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -5.691 -2.560 -9.842 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -3.487 -3.805 -10.123 1.00 0.00 H new ATOM 822 N TYR A 53 -3.933 -2.538 -4.536 1.00 0.00 N ATOM 823 CA TYR A 53 -3.968 -3.938 -4.132 1.00 0.00 C ATOM 824 C TYR A 53 -3.957 -4.858 -5.349 1.00 0.00 C ATOM 825 O TYR A 53 -4.963 -4.997 -6.046 1.00 0.00 O ATOM 826 CB TYR A 53 -5.210 -4.214 -3.282 1.00 0.00 C ATOM 827 CG TYR A 53 -5.228 -3.459 -1.973 1.00 0.00 C ATOM 828 CD1 TYR A 53 -4.180 -3.574 -1.067 1.00 0.00 C ATOM 829 CD2 TYR A 53 -6.292 -2.630 -1.640 1.00 0.00 C ATOM 830 CE1 TYR A 53 -4.192 -2.887 0.131 1.00 0.00 C ATOM 831 CE2 TYR A 53 -6.312 -1.937 -0.445 1.00 0.00 C ATOM 832 CZ TYR A 53 -5.260 -2.069 0.437 1.00 0.00 C ATOM 833 OH TYR A 53 -5.276 -1.381 1.629 1.00 0.00 O ATOM 0 H TYR A 53 -4.671 -1.963 -4.130 1.00 0.00 H new ATOM 0 HA TYR A 53 -3.076 -4.140 -3.539 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -6.098 -3.951 -3.856 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -5.269 -5.283 -3.076 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -3.341 -4.212 -1.304 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -7.118 -2.525 -2.328 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.370 -2.989 0.824 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.147 -1.296 -0.203 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.377 -1.381 2.019 1.00 0.00 H new ATOM 843 N SER A 54 -2.811 -5.484 -5.599 1.00 0.00 N ATOM 844 CA SER A 54 -2.666 -6.388 -6.734 1.00 0.00 C ATOM 845 C SER A 54 -3.915 -7.246 -6.908 1.00 0.00 C ATOM 846 O SER A 54 -4.149 -8.183 -6.146 1.00 0.00 O ATOM 847 CB SER A 54 -1.440 -7.283 -6.547 1.00 0.00 C ATOM 848 OG SER A 54 -0.993 -7.802 -7.787 1.00 0.00 O ATOM 0 H SER A 54 -1.970 -5.382 -5.031 1.00 0.00 H new ATOM 0 HA SER A 54 -2.533 -5.785 -7.632 1.00 0.00 H new ATOM 0 HB2 SER A 54 -0.638 -6.713 -6.078 1.00 0.00 H new ATOM 0 HB3 SER A 54 -1.685 -8.104 -5.873 1.00 0.00 H new ATOM 0 HG SER A 54 -0.207 -8.369 -7.640 1.00 0.00 H new ATOM 971 N GLU A 62 -7.131 2.495 -2.464 1.00 0.00 N ATOM 972 CA GLU A 62 -7.274 3.609 -1.534 1.00 0.00 C ATOM 973 C GLU A 62 -5.917 4.233 -1.220 1.00 0.00 C ATOM 974 O GLU A 62 -4.872 3.654 -1.518 1.00 0.00 O ATOM 975 CB GLU A 62 -7.945 3.141 -0.241 1.00 0.00 C ATOM 976 CG GLU A 62 -7.153 2.081 0.506 1.00 0.00 C ATOM 977 CD GLU A 62 -7.405 2.111 2.001 1.00 0.00 C ATOM 978 OE1 GLU A 62 -8.560 2.362 2.403 1.00 0.00 O ATOM 979 OE2 GLU A 62 -6.447 1.884 2.769 1.00 0.00 O ATOM 0 HA GLU A 62 -7.901 4.365 -2.006 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -8.093 4.000 0.413 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -8.933 2.746 -0.477 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.413 1.097 0.117 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.089 2.227 0.317 1.00 0.00 H new ATOM 986 N TRP A 63 -5.942 5.415 -0.616 1.00 0.00 N ATOM 987 CA TRP A 63 -4.714 6.118 -0.261 1.00 0.00 C ATOM 988 C TRP A 63 -4.234 5.709 1.127 1.00 0.00 C ATOM 989 O TRP A 63 -5.040 5.454 2.023 1.00 0.00 O ATOM 990 CB TRP A 63 -4.934 7.631 -0.313 1.00 0.00 C ATOM 991 CG TRP A 63 -5.015 8.172 -1.708 1.00 0.00 C ATOM 992 CD1 TRP A 63 -6.115 8.194 -2.517 1.00 0.00 C ATOM 993 CD2 TRP A 63 -3.951 8.767 -2.459 1.00 0.00 C ATOM 994 NE1 TRP A 63 -5.800 8.767 -3.725 1.00 0.00 N ATOM 995 CE2 TRP A 63 -4.478 9.127 -3.715 1.00 0.00 C ATOM 996 CE3 TRP A 63 -2.605 9.032 -2.193 1.00 0.00 C ATOM 997 CZ2 TRP A 63 -3.705 9.737 -4.699 1.00 0.00 C ATOM 998 CZ3 TRP A 63 -1.839 9.637 -3.171 1.00 0.00 C ATOM 999 CH2 TRP A 63 -2.391 9.985 -4.411 1.00 0.00 C ATOM 0 H TRP A 63 -6.798 5.907 -0.362 1.00 0.00 H new ATOM 0 HA TRP A 63 -3.947 5.845 -0.985 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -5.854 7.876 0.218 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -4.120 8.128 0.215 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -7.090 7.816 -2.247 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -6.445 8.902 -4.503 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -2.171 8.769 -1.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -4.128 10.005 -5.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -0.797 9.845 -2.976 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -1.767 10.458 -5.154 1.00 0.00 H new ATOM 1010 N VAL A 64 -2.918 5.648 1.300 1.00 0.00 N ATOM 1011 CA VAL A 64 -2.331 5.271 2.580 1.00 0.00 C ATOM 1012 C VAL A 64 -1.233 6.245 2.990 1.00 0.00 C ATOM 1013 O VAL A 64 -0.565 6.854 2.153 1.00 0.00 O ATOM 1014 CB VAL A 64 -1.747 3.847 2.533 1.00 0.00 C ATOM 1015 CG1 VAL A 64 -2.741 2.882 1.904 1.00 0.00 C ATOM 1016 CG2 VAL A 64 -0.429 3.837 1.773 1.00 0.00 C ATOM 0 H VAL A 64 -2.237 5.855 0.569 1.00 0.00 H new ATOM 0 HA VAL A 64 -3.134 5.302 3.317 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.555 3.518 3.554 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -2.311 1.881 1.879 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.658 2.868 2.493 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -2.968 3.204 0.888 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -0.030 2.823 1.749 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.594 4.186 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.283 4.495 2.271 1.00 0.00 H new ATOM 1026 N PRO A 65 -1.039 6.399 4.308 1.00 0.00 N ATOM 1027 CA PRO A 65 -0.021 7.298 4.860 1.00 0.00 C ATOM 1028 C PRO A 65 1.396 6.791 4.611 1.00 0.00 C ATOM 1029 O PRO A 65 1.599 5.830 3.870 1.00 0.00 O ATOM 1030 CB PRO A 65 -0.330 7.307 6.359 1.00 0.00 C ATOM 1031 CG PRO A 65 -1.019 6.011 6.611 1.00 0.00 C ATOM 1032 CD PRO A 65 -1.799 5.706 5.362 1.00 0.00 C ATOM 0 HA PRO A 65 -0.055 8.285 4.398 1.00 0.00 H new ATOM 0 HB2 PRO A 65 0.581 7.392 6.951 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -0.965 8.152 6.627 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -0.299 5.221 6.824 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.679 6.082 7.476 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -1.857 4.634 5.176 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -2.823 6.074 5.428 1.00 0.00 H new ATOM 1040 N GLU A 66 2.371 7.444 5.235 1.00 0.00 N ATOM 1041 CA GLU A 66 3.769 7.059 5.080 1.00 0.00 C ATOM 1042 C GLU A 66 4.175 6.045 6.146 1.00 0.00 C ATOM 1043 O GLU A 66 5.303 5.553 6.152 1.00 0.00 O ATOM 1044 CB GLU A 66 4.673 8.291 5.162 1.00 0.00 C ATOM 1045 CG GLU A 66 6.152 7.970 5.027 1.00 0.00 C ATOM 1046 CD GLU A 66 6.997 9.206 4.787 1.00 0.00 C ATOM 1047 OE1 GLU A 66 7.293 9.922 5.766 1.00 0.00 O ATOM 1048 OE2 GLU A 66 7.362 9.457 3.619 1.00 0.00 O ATOM 0 H GLU A 66 2.219 8.242 5.852 1.00 0.00 H new ATOM 0 HA GLU A 66 3.885 6.597 4.100 1.00 0.00 H new ATOM 0 HB2 GLU A 66 4.389 8.993 4.378 1.00 0.00 H new ATOM 0 HB3 GLU A 66 4.504 8.793 6.115 1.00 0.00 H new ATOM 0 HG2 GLU A 66 6.496 7.470 5.932 1.00 0.00 H new ATOM 0 HG3 GLU A 66 6.295 7.271 4.203 1.00 0.00 H new ATOM 1055 N SER A 67 3.246 5.737 7.046 1.00 0.00 N ATOM 1056 CA SER A 67 3.508 4.785 8.119 1.00 0.00 C ATOM 1057 C SER A 67 2.885 3.428 7.805 1.00 0.00 C ATOM 1058 O SER A 67 3.279 2.407 8.370 1.00 0.00 O ATOM 1059 CB SER A 67 2.960 5.316 9.445 1.00 0.00 C ATOM 1060 OG SER A 67 3.214 4.408 10.502 1.00 0.00 O ATOM 0 H SER A 67 2.306 6.133 7.053 1.00 0.00 H new ATOM 0 HA SER A 67 4.587 4.659 8.204 1.00 0.00 H new ATOM 0 HB2 SER A 67 3.417 6.279 9.671 1.00 0.00 H new ATOM 0 HB3 SER A 67 1.887 5.485 9.357 1.00 0.00 H new ATOM 0 HG SER A 67 2.855 4.771 11.339 1.00 0.00 H new ATOM 1066 N ARG A 68 1.912 3.426 6.901 1.00 0.00 N ATOM 1067 CA ARG A 68 1.234 2.195 6.512 1.00 0.00 C ATOM 1068 C ARG A 68 1.889 1.579 5.279 1.00 0.00 C ATOM 1069 O ARG A 68 1.325 0.690 4.642 1.00 0.00 O ATOM 1070 CB ARG A 68 -0.245 2.470 6.233 1.00 0.00 C ATOM 1071 CG ARG A 68 -1.109 2.481 7.483 1.00 0.00 C ATOM 1072 CD ARG A 68 -2.578 2.273 7.147 1.00 0.00 C ATOM 1073 NE ARG A 68 -3.416 2.259 8.343 1.00 0.00 N ATOM 1074 CZ ARG A 68 -4.741 2.162 8.311 1.00 0.00 C ATOM 1075 NH1 ARG A 68 -5.374 2.070 7.150 1.00 0.00 N ATOM 1076 NH2 ARG A 68 -5.434 2.156 9.442 1.00 0.00 N ATOM 0 H ARG A 68 1.575 4.262 6.424 1.00 0.00 H new ATOM 0 HA ARG A 68 1.317 1.488 7.337 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -0.338 3.432 5.729 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -0.623 1.712 5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -0.776 1.698 8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.985 3.430 8.004 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -2.913 3.066 6.479 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -2.697 1.332 6.610 1.00 0.00 H new ATOM 0 HE ARG A 68 -2.959 2.327 9.253 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -4.844 2.074 6.278 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.391 1.996 7.128 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -4.950 2.226 10.337 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -6.451 2.082 9.417 1.00 0.00 H new ATOM 1090 N VAL A 69 3.084 2.059 4.949 1.00 0.00 N ATOM 1091 CA VAL A 69 3.817 1.555 3.793 1.00 0.00 C ATOM 1092 C VAL A 69 5.191 1.034 4.199 1.00 0.00 C ATOM 1093 O VAL A 69 5.899 1.663 4.986 1.00 0.00 O ATOM 1094 CB VAL A 69 3.990 2.646 2.720 1.00 0.00 C ATOM 1095 CG1 VAL A 69 4.526 2.045 1.429 1.00 0.00 C ATOM 1096 CG2 VAL A 69 2.673 3.366 2.475 1.00 0.00 C ATOM 0 H VAL A 69 3.565 2.796 5.465 1.00 0.00 H new ATOM 0 HA VAL A 69 3.230 0.736 3.377 1.00 0.00 H new ATOM 0 HB VAL A 69 4.715 3.375 3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 69 4.642 2.831 0.682 1.00 0.00 H new ATOM 0 HG12 VAL A 69 5.493 1.579 1.619 1.00 0.00 H new ATOM 0 HG13 VAL A 69 3.828 1.294 1.060 1.00 0.00 H new ATOM 0 HG21 VAL A 69 2.814 4.133 1.714 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.925 2.650 2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 69 2.335 3.831 3.401 1.00 0.00 H new ATOM 1106 N LEU A 70 5.563 -0.120 3.655 1.00 0.00 N ATOM 1107 CA LEU A 70 6.854 -0.727 3.960 1.00 0.00 C ATOM 1108 C LEU A 70 7.765 -0.714 2.736 1.00 0.00 C ATOM 1109 O LEU A 70 7.308 -0.506 1.611 1.00 0.00 O ATOM 1110 CB LEU A 70 6.662 -2.163 4.450 1.00 0.00 C ATOM 1111 CG LEU A 70 5.562 -2.375 5.491 1.00 0.00 C ATOM 1112 CD1 LEU A 70 5.448 -3.847 5.855 1.00 0.00 C ATOM 1113 CD2 LEU A 70 5.832 -1.536 6.732 1.00 0.00 C ATOM 0 H LEU A 70 4.990 -0.653 3.001 1.00 0.00 H new ATOM 0 HA LEU A 70 7.326 -0.140 4.748 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.445 -2.794 3.588 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.605 -2.511 4.871 1.00 0.00 H new ATOM 0 HG LEU A 70 4.614 -2.054 5.060 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.660 -3.978 6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.206 -4.425 4.963 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.396 -4.194 6.267 1.00 0.00 H new ATOM 0 HD21 LEU A 70 5.039 -1.700 7.462 1.00 0.00 H new ATOM 0 HD22 LEU A 70 6.789 -1.825 7.166 1.00 0.00 H new ATOM 0 HD23 LEU A 70 5.861 -0.481 6.459 1.00 0.00 H new ATOM 1125 N LYS A 71 9.054 -0.939 2.962 1.00 0.00 N ATOM 1126 CA LYS A 71 10.030 -0.957 1.878 1.00 0.00 C ATOM 1127 C LYS A 71 10.039 -2.311 1.176 1.00 0.00 C ATOM 1128 O LYS A 71 10.890 -2.575 0.327 1.00 0.00 O ATOM 1129 CB LYS A 71 11.427 -0.641 2.417 1.00 0.00 C ATOM 1130 CG LYS A 71 11.618 0.818 2.794 1.00 0.00 C ATOM 1131 CD LYS A 71 10.753 1.205 3.982 1.00 0.00 C ATOM 1132 CE LYS A 71 11.012 2.639 4.417 1.00 0.00 C ATOM 1133 NZ LYS A 71 10.687 3.613 3.339 1.00 0.00 N ATOM 0 H LYS A 71 9.448 -1.112 3.887 1.00 0.00 H new ATOM 0 HA LYS A 71 9.745 -0.194 1.154 1.00 0.00 H new ATOM 0 HB2 LYS A 71 11.619 -1.262 3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 71 12.168 -0.913 1.665 1.00 0.00 H new ATOM 0 HG2 LYS A 71 12.666 0.999 3.032 1.00 0.00 H new ATOM 0 HG3 LYS A 71 11.371 1.450 1.941 1.00 0.00 H new ATOM 0 HD2 LYS A 71 9.701 1.087 3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 71 10.953 0.530 4.814 1.00 0.00 H new ATOM 0 HE2 LYS A 71 10.415 2.864 5.301 1.00 0.00 H new ATOM 0 HE3 LYS A 71 12.058 2.749 4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 10.398 4.517 3.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 11.525 3.763 2.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 9.910 3.240 2.757 1.00 0.00 H new ATOM 1147 N TYR A 72 9.086 -3.164 1.534 1.00 0.00 N ATOM 1148 CA TYR A 72 8.985 -4.491 0.939 1.00 0.00 C ATOM 1149 C TYR A 72 10.351 -5.166 0.877 1.00 0.00 C ATOM 1150 O TYR A 72 10.762 -5.668 -0.169 1.00 0.00 O ATOM 1151 CB TYR A 72 8.385 -4.399 -0.465 1.00 0.00 C ATOM 1152 CG TYR A 72 7.581 -5.617 -0.861 1.00 0.00 C ATOM 1153 CD1 TYR A 72 8.065 -6.898 -0.628 1.00 0.00 C ATOM 1154 CD2 TYR A 72 6.339 -5.486 -1.470 1.00 0.00 C ATOM 1155 CE1 TYR A 72 7.334 -8.014 -0.989 1.00 0.00 C ATOM 1156 CE2 TYR A 72 5.601 -6.596 -1.833 1.00 0.00 C ATOM 1157 CZ TYR A 72 6.103 -7.858 -1.591 1.00 0.00 C ATOM 1158 OH TYR A 72 5.372 -8.966 -1.952 1.00 0.00 O ATOM 0 H TYR A 72 8.372 -2.960 2.234 1.00 0.00 H new ATOM 0 HA TYR A 72 8.330 -5.094 1.568 1.00 0.00 H new ATOM 0 HB2 TYR A 72 7.745 -3.518 -0.521 1.00 0.00 H new ATOM 0 HB3 TYR A 72 9.190 -4.255 -1.186 1.00 0.00 H new ATOM 0 HD1 TYR A 72 9.029 -7.024 -0.157 1.00 0.00 H new ATOM 0 HD2 TYR A 72 5.944 -4.500 -1.663 1.00 0.00 H new ATOM 0 HE1 TYR A 72 7.725 -9.003 -0.801 1.00 0.00 H new ATOM 0 HE2 TYR A 72 4.636 -6.476 -2.304 1.00 0.00 H new ATOM 0 HH TYR A 72 4.529 -8.682 -2.363 1.00 0.00 H new ATOM 1168 N VAL A 73 11.052 -5.174 2.007 1.00 0.00 N ATOM 1169 CA VAL A 73 12.372 -5.788 2.084 1.00 0.00 C ATOM 1170 C VAL A 73 12.362 -6.998 3.011 1.00 0.00 C ATOM 1171 O VAL A 73 11.467 -7.148 3.844 1.00 0.00 O ATOM 1172 CB VAL A 73 13.430 -4.784 2.578 1.00 0.00 C ATOM 1173 CG1 VAL A 73 13.688 -3.718 1.525 1.00 0.00 C ATOM 1174 CG2 VAL A 73 12.993 -4.154 3.892 1.00 0.00 C ATOM 0 H VAL A 73 10.727 -4.762 2.882 1.00 0.00 H new ATOM 0 HA VAL A 73 12.631 -6.110 1.075 1.00 0.00 H new ATOM 0 HB VAL A 73 14.363 -5.321 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 73 14.438 -3.018 1.892 1.00 0.00 H new ATOM 0 HG12 VAL A 73 14.048 -4.189 0.611 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.763 -3.181 1.316 1.00 0.00 H new ATOM 0 HG21 VAL A 73 13.752 -3.447 4.227 1.00 0.00 H new ATOM 0 HG22 VAL A 73 12.048 -3.630 3.748 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.865 -4.933 4.644 1.00 0.00 H new ATOM 1184 N ASP A 74 13.363 -7.859 2.862 1.00 0.00 N ATOM 1185 CA ASP A 74 13.471 -9.056 3.688 1.00 0.00 C ATOM 1186 C ASP A 74 12.961 -8.790 5.101 1.00 0.00 C ATOM 1187 O ASP A 74 12.197 -9.580 5.657 1.00 0.00 O ATOM 1188 CB ASP A 74 14.922 -9.537 3.739 1.00 0.00 C ATOM 1189 CG ASP A 74 15.493 -9.804 2.360 1.00 0.00 C ATOM 1190 OD1 ASP A 74 15.312 -10.930 1.852 1.00 0.00 O ATOM 1191 OD2 ASP A 74 16.120 -8.887 1.789 1.00 0.00 O ATOM 0 H ASP A 74 14.111 -7.750 2.177 1.00 0.00 H new ATOM 0 HA ASP A 74 12.854 -9.834 3.239 1.00 0.00 H new ATOM 0 HB2 ASP A 74 15.532 -8.788 4.243 1.00 0.00 H new ATOM 0 HB3 ASP A 74 14.979 -10.448 4.335 1.00 0.00 H new ATOM 1196 N THR A 75 13.388 -7.671 5.678 1.00 0.00 N ATOM 1197 CA THR A 75 12.976 -7.301 7.026 1.00 0.00 C ATOM 1198 C THR A 75 11.464 -7.123 7.110 1.00 0.00 C ATOM 1199 O THR A 75 10.792 -7.806 7.881 1.00 0.00 O ATOM 1200 CB THR A 75 13.661 -6.000 7.486 1.00 0.00 C ATOM 1201 OG1 THR A 75 15.077 -6.196 7.572 1.00 0.00 O ATOM 1202 CG2 THR A 75 13.123 -5.554 8.837 1.00 0.00 C ATOM 0 H THR A 75 14.019 -7.005 5.232 1.00 0.00 H new ATOM 0 HA THR A 75 13.280 -8.115 7.684 1.00 0.00 H new ATOM 0 HB THR A 75 13.446 -5.223 6.752 1.00 0.00 H new ATOM 0 HG1 THR A 75 15.505 -5.364 7.863 1.00 0.00 H new ATOM 0 HG21 THR A 75 13.621 -4.634 9.141 1.00 0.00 H new ATOM 0 HG22 THR A 75 12.050 -5.378 8.761 1.00 0.00 H new ATOM 0 HG23 THR A 75 13.312 -6.331 9.578 1.00 0.00 H new ATOM 1210 N ASN A 76 10.936 -6.201 6.311 1.00 0.00 N ATOM 1211 CA ASN A 76 9.503 -5.934 6.296 1.00 0.00 C ATOM 1212 C ASN A 76 8.724 -7.170 5.856 1.00 0.00 C ATOM 1213 O ASN A 76 7.512 -7.258 6.058 1.00 0.00 O ATOM 1214 CB ASN A 76 9.192 -4.762 5.362 1.00 0.00 C ATOM 1215 CG ASN A 76 9.689 -3.439 5.911 1.00 0.00 C ATOM 1216 OD1 ASN A 76 9.616 -3.185 7.113 1.00 0.00 O ATOM 1217 ND2 ASN A 76 10.198 -2.587 5.028 1.00 0.00 N ATOM 0 H ASN A 76 11.479 -5.627 5.666 1.00 0.00 H new ATOM 0 HA ASN A 76 9.196 -5.675 7.309 1.00 0.00 H new ATOM 0 HB2 ASN A 76 9.650 -4.944 4.390 1.00 0.00 H new ATOM 0 HB3 ASN A 76 8.115 -4.704 5.201 1.00 0.00 H new ATOM 0 HD21 ASN A 76 10.548 -1.680 5.337 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.239 -2.840 4.041 1.00 0.00 H new ATOM 1224 N LEU A 77 9.427 -8.122 5.254 1.00 0.00 N ATOM 1225 CA LEU A 77 8.802 -9.355 4.785 1.00 0.00 C ATOM 1226 C LEU A 77 8.577 -10.324 5.941 1.00 0.00 C ATOM 1227 O LEU A 77 7.604 -11.078 5.949 1.00 0.00 O ATOM 1228 CB LEU A 77 9.671 -10.014 3.713 1.00 0.00 C ATOM 1229 CG LEU A 77 9.813 -9.247 2.398 1.00 0.00 C ATOM 1230 CD1 LEU A 77 11.040 -9.720 1.634 1.00 0.00 C ATOM 1231 CD2 LEU A 77 8.560 -9.408 1.549 1.00 0.00 C ATOM 0 H LEU A 77 10.430 -8.065 5.079 1.00 0.00 H new ATOM 0 HA LEU A 77 7.834 -9.102 4.353 1.00 0.00 H new ATOM 0 HB2 LEU A 77 10.667 -10.172 4.128 1.00 0.00 H new ATOM 0 HB3 LEU A 77 9.258 -10.998 3.493 1.00 0.00 H new ATOM 0 HG LEU A 77 9.939 -8.189 2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 77 11.125 -9.163 0.701 1.00 0.00 H new ATOM 0 HD12 LEU A 77 11.932 -9.553 2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 77 10.944 -10.783 1.414 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.679 -8.856 0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.404 -10.464 1.328 1.00 0.00 H new ATOM 0 HD23 LEU A 77 7.699 -9.020 2.094 1.00 0.00 H new ATOM 1243 N GLN A 78 9.481 -10.297 6.915 1.00 0.00 N ATOM 1244 CA GLN A 78 9.378 -11.172 8.076 1.00 0.00 C ATOM 1245 C GLN A 78 7.988 -11.091 8.698 1.00 0.00 C ATOM 1246 O GLN A 78 7.548 -12.015 9.383 1.00 0.00 O ATOM 1247 CB GLN A 78 10.438 -10.802 9.115 1.00 0.00 C ATOM 1248 CG GLN A 78 9.990 -9.717 10.081 1.00 0.00 C ATOM 1249 CD GLN A 78 11.136 -9.152 10.897 1.00 0.00 C ATOM 1250 OE1 GLN A 78 11.190 -9.324 12.115 1.00 0.00 O ATOM 1251 NE2 GLN A 78 12.060 -8.472 10.228 1.00 0.00 N ATOM 0 H GLN A 78 10.292 -9.679 6.923 1.00 0.00 H new ATOM 0 HA GLN A 78 9.547 -12.196 7.744 1.00 0.00 H new ATOM 0 HB2 GLN A 78 10.706 -11.694 9.682 1.00 0.00 H new ATOM 0 HB3 GLN A 78 11.339 -10.469 8.600 1.00 0.00 H new ATOM 0 HG2 GLN A 78 9.516 -8.911 9.521 1.00 0.00 H new ATOM 0 HG3 GLN A 78 9.236 -10.124 10.754 1.00 0.00 H new ATOM 0 HE21 GLN A 78 11.975 -8.354 9.218 1.00 0.00 H new ATOM 0 HE22 GLN A 78 12.854 -8.068 10.724 1.00 0.00 H new ATOM 1260 N LYS A 79 7.301 -9.980 8.456 1.00 0.00 N ATOM 1261 CA LYS A 79 5.960 -9.778 8.992 1.00 0.00 C ATOM 1262 C LYS A 79 4.900 -10.131 7.953 1.00 0.00 C ATOM 1263 O LYS A 79 4.081 -11.024 8.168 1.00 0.00 O ATOM 1264 CB LYS A 79 5.783 -8.326 9.444 1.00 0.00 C ATOM 1265 CG LYS A 79 4.405 -8.030 10.010 1.00 0.00 C ATOM 1266 CD LYS A 79 4.283 -6.579 10.447 1.00 0.00 C ATOM 1267 CE LYS A 79 3.292 -6.423 11.590 1.00 0.00 C ATOM 1268 NZ LYS A 79 3.794 -7.042 12.848 1.00 0.00 N ATOM 0 H LYS A 79 7.651 -9.205 7.892 1.00 0.00 H new ATOM 0 HA LYS A 79 5.835 -10.438 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 79 6.534 -8.095 10.199 1.00 0.00 H new ATOM 0 HB3 LYS A 79 5.969 -7.665 8.597 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.647 -8.250 9.258 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.211 -8.685 10.860 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.260 -6.208 10.758 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.964 -5.969 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 79 3.097 -5.364 11.759 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.343 -6.882 11.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.320 -6.604 13.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.593 -8.062 12.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 4.820 -6.892 12.923 1.00 0.00 H new ATOM 1282 N GLN A 80 4.924 -9.425 6.827 1.00 0.00 N ATOM 1283 CA GLN A 80 3.965 -9.665 5.755 1.00 0.00 C ATOM 1284 C GLN A 80 3.596 -11.143 5.676 1.00 0.00 C ATOM 1285 O GLN A 80 2.444 -11.492 5.420 1.00 0.00 O ATOM 1286 CB GLN A 80 4.538 -9.198 4.415 1.00 0.00 C ATOM 1287 CG GLN A 80 4.049 -10.011 3.228 1.00 0.00 C ATOM 1288 CD GLN A 80 4.952 -11.187 2.914 1.00 0.00 C ATOM 1289 OE1 GLN A 80 6.158 -11.141 3.159 1.00 0.00 O ATOM 1290 NE2 GLN A 80 4.372 -12.251 2.371 1.00 0.00 N ATOM 0 H GLN A 80 5.596 -8.683 6.634 1.00 0.00 H new ATOM 0 HA GLN A 80 3.062 -9.095 5.975 1.00 0.00 H new ATOM 0 HB2 GLN A 80 4.274 -8.152 4.261 1.00 0.00 H new ATOM 0 HB3 GLN A 80 5.626 -9.250 4.457 1.00 0.00 H new ATOM 0 HG2 GLN A 80 3.042 -10.375 3.432 1.00 0.00 H new ATOM 0 HG3 GLN A 80 3.983 -9.365 2.353 1.00 0.00 H new ATOM 0 HE21 GLN A 80 3.369 -12.246 2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 80 4.929 -13.073 2.140 1.00 0.00 H new ATOM 1299 N ARG A 81 4.582 -12.006 5.896 1.00 0.00 N ATOM 1300 CA ARG A 81 4.361 -13.447 5.849 1.00 0.00 C ATOM 1301 C ARG A 81 3.762 -13.949 7.159 1.00 0.00 C ATOM 1302 O ARG A 81 2.708 -14.585 7.166 1.00 0.00 O ATOM 1303 CB ARG A 81 5.675 -14.176 5.564 1.00 0.00 C ATOM 1304 CG ARG A 81 6.748 -13.931 6.612 1.00 0.00 C ATOM 1305 CD ARG A 81 8.137 -14.221 6.067 1.00 0.00 C ATOM 1306 NE ARG A 81 9.114 -14.422 7.134 1.00 0.00 N ATOM 1307 CZ ARG A 81 10.427 -14.341 6.953 1.00 0.00 C ATOM 1308 NH1 ARG A 81 10.919 -14.066 5.753 1.00 0.00 N ATOM 1309 NH2 ARG A 81 11.252 -14.536 7.974 1.00 0.00 N ATOM 0 H ARG A 81 5.542 -11.733 6.109 1.00 0.00 H new ATOM 0 HA ARG A 81 3.656 -13.655 5.045 1.00 0.00 H new ATOM 0 HB2 ARG A 81 5.480 -15.246 5.499 1.00 0.00 H new ATOM 0 HB3 ARG A 81 6.051 -13.861 4.591 1.00 0.00 H new ATOM 0 HG2 ARG A 81 6.698 -12.896 6.950 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.559 -14.560 7.482 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.101 -15.110 5.437 1.00 0.00 H new ATOM 0 HD3 ARG A 81 8.458 -13.394 5.433 1.00 0.00 H new ATOM 0 HE ARG A 81 8.769 -14.636 8.070 1.00 0.00 H new ATOM 0 HH11 ARG A 81 10.288 -13.916 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.928 -14.004 5.617 1.00 0.00 H new ATOM 0 HH21 ARG A 81 10.878 -14.748 8.899 1.00 0.00 H new ATOM 0 HH22 ARG A 81 12.260 -14.474 7.834 1.00 0.00 H new ATOM 1323 N GLU A 82 4.441 -13.658 8.264 1.00 0.00 N ATOM 1324 CA GLU A 82 3.975 -14.082 9.579 1.00 0.00 C ATOM 1325 C GLU A 82 2.481 -13.814 9.740 1.00 0.00 C ATOM 1326 O GLU A 82 1.764 -14.592 10.371 1.00 0.00 O ATOM 1327 CB GLU A 82 4.755 -13.357 10.679 1.00 0.00 C ATOM 1328 CG GLU A 82 4.092 -12.073 11.150 1.00 0.00 C ATOM 1329 CD GLU A 82 4.827 -11.429 12.309 1.00 0.00 C ATOM 1330 OE1 GLU A 82 6.074 -11.500 12.335 1.00 0.00 O ATOM 1331 OE2 GLU A 82 4.155 -10.852 13.190 1.00 0.00 O ATOM 0 H GLU A 82 5.314 -13.131 8.275 1.00 0.00 H new ATOM 0 HA GLU A 82 4.146 -15.155 9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 82 4.875 -14.027 11.530 1.00 0.00 H new ATOM 0 HB3 GLU A 82 5.755 -13.126 10.312 1.00 0.00 H new ATOM 0 HG2 GLU A 82 4.042 -11.369 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 82 3.066 -12.287 11.449 1.00 0.00 H new ATOM 1338 N LEU A 83 2.019 -12.710 9.164 1.00 0.00 N ATOM 1339 CA LEU A 83 0.610 -12.338 9.243 1.00 0.00 C ATOM 1340 C LEU A 83 -0.233 -13.199 8.308 1.00 0.00 C ATOM 1341 O LEU A 83 -1.239 -13.777 8.720 1.00 0.00 O ATOM 1342 CB LEU A 83 0.432 -10.860 8.893 1.00 0.00 C ATOM 1343 CG LEU A 83 1.387 -9.887 9.585 1.00 0.00 C ATOM 1344 CD1 LEU A 83 1.289 -8.505 8.956 1.00 0.00 C ATOM 1345 CD2 LEU A 83 1.091 -9.818 11.076 1.00 0.00 C ATOM 0 H LEU A 83 2.599 -12.057 8.637 1.00 0.00 H new ATOM 0 HA LEU A 83 0.272 -12.506 10.266 1.00 0.00 H new ATOM 0 HB2 LEU A 83 0.547 -10.746 7.815 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.590 -10.570 9.137 1.00 0.00 H new ATOM 0 HG LEU A 83 2.405 -10.253 9.454 1.00 0.00 H new ATOM 0 HD11 LEU A 83 1.976 -7.826 9.461 1.00 0.00 H new ATOM 0 HD12 LEU A 83 1.551 -8.567 7.900 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.270 -8.131 9.056 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.780 -9.121 11.552 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.067 -9.477 11.228 1.00 0.00 H new ATOM 0 HD23 LEU A 83 1.213 -10.807 11.517 1.00 0.00 H new ATOM 1357 N GLN A 84 0.185 -13.281 7.049 1.00 0.00 N ATOM 1358 CA GLN A 84 -0.531 -14.073 6.057 1.00 0.00 C ATOM 1359 C GLN A 84 -0.662 -15.524 6.509 1.00 0.00 C ATOM 1360 O GLN A 84 -1.620 -16.212 6.156 1.00 0.00 O ATOM 1361 CB GLN A 84 0.187 -14.010 4.707 1.00 0.00 C ATOM 1362 CG GLN A 84 0.081 -12.655 4.025 1.00 0.00 C ATOM 1363 CD GLN A 84 0.985 -12.540 2.814 1.00 0.00 C ATOM 1364 OE1 GLN A 84 1.639 -13.506 2.418 1.00 0.00 O ATOM 1365 NE2 GLN A 84 1.027 -11.354 2.217 1.00 0.00 N ATOM 0 H GLN A 84 1.016 -12.809 6.692 1.00 0.00 H new ATOM 0 HA GLN A 84 -1.531 -13.654 5.949 1.00 0.00 H new ATOM 0 HB2 GLN A 84 1.240 -14.253 4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -0.228 -14.773 4.048 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -0.952 -12.485 3.720 1.00 0.00 H new ATOM 0 HG3 GLN A 84 0.335 -11.872 4.739 1.00 0.00 H new ATOM 0 HE21 GLN A 84 0.469 -10.581 2.579 1.00 0.00 H new ATOM 0 HE22 GLN A 84 1.618 -11.217 1.397 1.00 0.00 H new ATOM 1374 N LYS A 85 0.309 -15.984 7.291 1.00 0.00 N ATOM 1375 CA LYS A 85 0.303 -17.353 7.793 1.00 0.00 C ATOM 1376 C LYS A 85 -0.317 -17.420 9.185 1.00 0.00 C ATOM 1377 O LYS A 85 -0.750 -18.482 9.632 1.00 0.00 O ATOM 1378 CB LYS A 85 1.728 -17.910 7.831 1.00 0.00 C ATOM 1379 CG LYS A 85 2.579 -17.329 8.947 1.00 0.00 C ATOM 1380 CD LYS A 85 3.628 -18.320 9.423 1.00 0.00 C ATOM 1381 CE LYS A 85 4.555 -18.736 8.291 1.00 0.00 C ATOM 1382 NZ LYS A 85 5.659 -17.758 8.091 1.00 0.00 N ATOM 0 H LYS A 85 1.110 -15.429 7.591 1.00 0.00 H new ATOM 0 HA LYS A 85 -0.300 -17.959 7.116 1.00 0.00 H new ATOM 0 HB2 LYS A 85 1.683 -18.993 7.946 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.212 -17.711 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 85 3.068 -16.420 8.597 1.00 0.00 H new ATOM 0 HG3 LYS A 85 1.940 -17.045 9.783 1.00 0.00 H new ATOM 0 HD2 LYS A 85 4.212 -17.875 10.228 1.00 0.00 H new ATOM 0 HD3 LYS A 85 3.137 -19.201 9.835 1.00 0.00 H new ATOM 0 HE2 LYS A 85 4.975 -19.718 8.508 1.00 0.00 H new ATOM 0 HE3 LYS A 85 3.982 -18.831 7.369 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 6.269 -18.077 7.311 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 5.260 -16.826 7.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 6.221 -17.686 8.963 1.00 0.00 H new