USER MOD reduce.3.24.130724 H: found=0, std=0, add=655, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 654 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 41 THR OG1 : rot 180:sc= 0.0397 USER MOD Set 1.2: A 43 ASN : amide:sc= -1.35 X(o=-1.3,f=-0.98) USER MOD Set 2.1: A 33 MET CE :methyl 170:sc= -0.598 (180deg=0) USER MOD Set 2.2: A 40 SER OG : rot -171:sc= 0.516 USER MOD Set 2.3: A 44 LYS NZ :NH3+ 175:sc= -0.592 (180deg=-0.0626) USER MOD Single : A 10 TYR OH : rot 30:sc= -1.27 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 180:sc= -0.862 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -102:sc= 0.213! USER MOD Single : A 25 HIS : no HE2:sc= -8.94! C(o=-8.9!,f=-9.9!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -2.47 K(o=-2.5,f=-3.6!) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0.00631 USER MOD Single : A 53 HIS : no HD1:sc= -0.0353 X(o=-0.035,f=-0.016) USER MOD Single : A 55 THR OG1 : rot 49:sc= 1.6 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.11 USER MOD Single : A 70 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 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN :FLIP amide:sc= -7.86! C(o=-12!,f=-7.9!) USER MOD Single : A 92 ASN : amide:sc= -1.93! C(o=-1.9!,f=-4.6!) USER MOD ----------------------------------------------------------------- ATOM 156 N TYR A 10 -5.696 4.887 9.553 1.00 0.00 N ATOM 157 CA TYR A 10 -5.347 5.226 8.184 1.00 0.00 C ATOM 158 C TYR A 10 -6.531 5.875 7.462 1.00 0.00 C ATOM 159 O TYR A 10 -7.653 5.861 7.966 1.00 0.00 O ATOM 160 CB TYR A 10 -5.008 3.904 7.493 1.00 0.00 C ATOM 161 CG TYR A 10 -5.856 2.721 7.966 1.00 0.00 C ATOM 162 CD1 TYR A 10 -7.234 2.806 7.947 1.00 0.00 C ATOM 163 CD2 TYR A 10 -5.243 1.566 8.411 1.00 0.00 C ATOM 164 CE1 TYR A 10 -8.031 1.693 8.391 1.00 0.00 C ATOM 165 CE2 TYR A 10 -6.041 0.453 8.856 1.00 0.00 C ATOM 166 CZ TYR A 10 -7.395 0.572 8.824 1.00 0.00 C ATOM 167 OH TYR A 10 -8.148 -0.480 9.244 1.00 0.00 O ATOM 0 HA TYR A 10 -4.517 5.932 8.164 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.138 4.024 6.417 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -3.956 3.675 7.664 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -7.714 3.709 7.599 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.165 1.498 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.110 1.747 8.380 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -5.575 -0.456 9.207 1.00 0.00 H new ATOM 0 HH TYR A 10 -9.000 -0.486 8.760 1.00 0.00 H new ATOM 177 N LYS A 11 -6.240 6.429 6.294 1.00 0.00 N ATOM 178 CA LYS A 11 -7.265 7.081 5.498 1.00 0.00 C ATOM 179 C LYS A 11 -6.890 6.991 4.017 1.00 0.00 C ATOM 180 O LYS A 11 -5.726 6.776 3.681 1.00 0.00 O ATOM 181 CB LYS A 11 -7.495 8.512 5.989 1.00 0.00 C ATOM 182 CG LYS A 11 -8.819 8.625 6.749 1.00 0.00 C ATOM 183 CD LYS A 11 -9.948 9.073 5.818 1.00 0.00 C ATOM 184 CE LYS A 11 -10.791 7.879 5.364 1.00 0.00 C ATOM 185 NZ LYS A 11 -11.746 8.290 4.312 1.00 0.00 N ATOM 0 H LYS A 11 -5.308 6.439 5.880 1.00 0.00 H new ATOM 0 HA LYS A 11 -8.221 6.571 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -6.673 8.814 6.637 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -7.500 9.195 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -9.070 7.662 7.194 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -8.713 9.337 7.567 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -10.582 9.796 6.331 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -9.528 9.578 4.948 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -10.141 7.090 4.985 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -11.333 7.465 6.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -12.310 7.468 4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -12.378 9.027 4.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -11.223 8.664 3.495 1.00 0.00 H new ATOM 199 N CYS A 12 -7.897 7.161 3.172 1.00 0.00 N ATOM 200 CA CYS A 12 -7.687 7.102 1.736 1.00 0.00 C ATOM 201 C CYS A 12 -6.438 7.919 1.401 1.00 0.00 C ATOM 202 O CYS A 12 -6.318 9.075 1.803 1.00 0.00 O ATOM 203 CB CYS A 12 -8.914 7.594 0.965 1.00 0.00 C ATOM 204 SG CYS A 12 -8.790 7.094 -0.791 1.00 0.00 S ATOM 0 H CYS A 12 -8.861 7.340 3.455 1.00 0.00 H new ATOM 0 HA CYS A 12 -7.537 6.067 1.429 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -9.821 7.181 1.406 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.989 8.679 1.039 1.00 0.00 H new ATOM 0 HG CYS A 12 -9.837 7.514 -1.437 1.00 0.00 H new ATOM 210 N GLY A 13 -5.537 7.285 0.663 1.00 0.00 N ATOM 211 CA GLY A 13 -4.301 7.938 0.268 1.00 0.00 C ATOM 212 C GLY A 13 -3.120 7.423 1.096 1.00 0.00 C ATOM 213 O GLY A 13 -1.967 7.557 0.689 1.00 0.00 O ATOM 0 H GLY A 13 -5.639 6.327 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.113 7.759 -0.791 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -4.398 9.016 0.397 1.00 0.00 H new ATOM 217 N ASP A 14 -3.449 6.847 2.242 1.00 0.00 N ATOM 218 CA ASP A 14 -2.431 6.314 3.131 1.00 0.00 C ATOM 219 C ASP A 14 -1.572 5.303 2.367 1.00 0.00 C ATOM 220 O ASP A 14 -1.916 4.907 1.256 1.00 0.00 O ATOM 221 CB ASP A 14 -3.064 5.592 4.322 1.00 0.00 C ATOM 222 CG ASP A 14 -2.072 4.892 5.255 1.00 0.00 C ATOM 223 OD1 ASP A 14 -0.947 5.420 5.384 1.00 0.00 O ATOM 224 OD2 ASP A 14 -2.462 3.848 5.818 1.00 0.00 O ATOM 0 H ASP A 14 -4.407 6.738 2.576 1.00 0.00 H new ATOM 0 HA ASP A 14 -1.829 7.147 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -3.638 6.314 4.902 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.770 4.852 3.946 1.00 0.00 H new ATOM 229 N LEU A 15 -0.471 4.917 2.995 1.00 0.00 N ATOM 230 CA LEU A 15 0.438 3.960 2.388 1.00 0.00 C ATOM 231 C LEU A 15 0.866 2.933 3.437 1.00 0.00 C ATOM 232 O LEU A 15 1.286 3.299 4.535 1.00 0.00 O ATOM 233 CB LEU A 15 1.611 4.684 1.723 1.00 0.00 C ATOM 234 CG LEU A 15 1.849 4.359 0.246 1.00 0.00 C ATOM 235 CD1 LEU A 15 1.768 2.853 -0.004 1.00 0.00 C ATOM 236 CD2 LEU A 15 0.888 5.141 -0.648 1.00 0.00 C ATOM 0 H LEU A 15 -0.188 5.249 3.917 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.063 3.412 1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.450 5.758 1.817 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.519 4.448 2.278 1.00 0.00 H new ATOM 0 HG LEU A 15 2.859 4.674 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.941 2.650 -1.061 1.00 0.00 H new ATOM 0 HD12 LEU A 15 2.526 2.344 0.592 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.780 2.490 0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.078 4.892 -1.692 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.139 4.880 -0.394 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.039 6.210 -0.497 1.00 0.00 H new ATOM 248 N VAL A 16 0.744 1.667 3.065 1.00 0.00 N ATOM 249 CA VAL A 16 1.113 0.584 3.961 1.00 0.00 C ATOM 250 C VAL A 16 1.555 -0.626 3.136 1.00 0.00 C ATOM 251 O VAL A 16 1.513 -0.592 1.906 1.00 0.00 O ATOM 252 CB VAL A 16 -0.047 0.271 4.909 1.00 0.00 C ATOM 253 CG1 VAL A 16 -0.880 -0.901 4.385 1.00 0.00 C ATOM 254 CG2 VAL A 16 0.461 -0.006 6.324 1.00 0.00 C ATOM 0 H VAL A 16 0.395 1.367 2.155 1.00 0.00 H new ATOM 0 HA VAL A 16 1.956 0.876 4.587 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.692 1.148 4.952 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.698 -1.104 5.076 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -1.287 -0.649 3.406 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.249 -1.786 4.299 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.383 -0.225 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 16 1.138 -0.860 6.307 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.991 0.870 6.698 1.00 0.00 H new ATOM 264 N PHE A 17 1.967 -1.667 3.845 1.00 0.00 N ATOM 265 CA PHE A 17 2.416 -2.886 3.194 1.00 0.00 C ATOM 266 C PHE A 17 1.263 -3.878 3.034 1.00 0.00 C ATOM 267 O PHE A 17 0.733 -4.383 4.021 1.00 0.00 O ATOM 268 CB PHE A 17 3.486 -3.506 4.095 1.00 0.00 C ATOM 269 CG PHE A 17 4.887 -3.522 3.477 1.00 0.00 C ATOM 270 CD1 PHE A 17 5.103 -4.167 2.299 1.00 0.00 C ATOM 271 CD2 PHE A 17 5.915 -2.891 4.104 1.00 0.00 C ATOM 272 CE1 PHE A 17 6.401 -4.182 1.726 1.00 0.00 C ATOM 273 CE2 PHE A 17 7.213 -2.906 3.531 1.00 0.00 C ATOM 274 CZ PHE A 17 7.430 -3.553 2.354 1.00 0.00 C ATOM 0 H PHE A 17 1.999 -1.691 4.864 1.00 0.00 H new ATOM 0 HA PHE A 17 2.803 -2.657 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 17 3.520 -2.954 5.034 1.00 0.00 H new ATOM 0 HB3 PHE A 17 3.195 -4.528 4.337 1.00 0.00 H new ATOM 0 HD1 PHE A 17 4.287 -4.668 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.744 -2.378 5.039 1.00 0.00 H new ATOM 0 HE1 PHE A 17 6.572 -4.693 0.790 1.00 0.00 H new ATOM 0 HE2 PHE A 17 8.029 -2.404 4.029 1.00 0.00 H new ATOM 0 HZ PHE A 17 8.418 -3.567 1.919 1.00 0.00 H new ATOM 284 N ALA A 18 0.911 -4.129 1.782 1.00 0.00 N ATOM 285 CA ALA A 18 -0.170 -5.053 1.480 1.00 0.00 C ATOM 286 C ALA A 18 0.418 -6.420 1.127 1.00 0.00 C ATOM 287 O ALA A 18 1.482 -6.504 0.516 1.00 0.00 O ATOM 288 CB ALA A 18 -1.032 -4.480 0.352 1.00 0.00 C ATOM 0 H ALA A 18 1.355 -3.709 0.965 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.816 -5.186 2.348 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.842 -5.173 0.126 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -1.449 -3.523 0.664 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.419 -4.336 -0.537 1.00 0.00 H new ATOM 294 N LYS A 19 -0.301 -7.459 1.526 1.00 0.00 N ATOM 295 CA LYS A 19 0.135 -8.818 1.260 1.00 0.00 C ATOM 296 C LYS A 19 -0.960 -9.561 0.492 1.00 0.00 C ATOM 297 O LYS A 19 -2.142 -9.424 0.805 1.00 0.00 O ATOM 298 CB LYS A 19 0.554 -9.511 2.559 1.00 0.00 C ATOM 299 CG LYS A 19 1.834 -10.326 2.359 1.00 0.00 C ATOM 300 CD LYS A 19 2.826 -10.077 3.497 1.00 0.00 C ATOM 301 CE LYS A 19 2.981 -11.323 4.371 1.00 0.00 C ATOM 302 NZ LYS A 19 1.943 -11.349 5.426 1.00 0.00 N ATOM 0 H LYS A 19 -1.184 -7.386 2.032 1.00 0.00 H new ATOM 0 HA LYS A 19 1.022 -8.815 0.627 1.00 0.00 H new ATOM 0 HB2 LYS A 19 0.712 -8.765 3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.248 -10.165 2.901 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.590 -11.387 2.310 1.00 0.00 H new ATOM 0 HG3 LYS A 19 2.293 -10.061 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.795 -9.795 3.085 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.483 -9.241 4.107 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.904 -12.219 3.755 1.00 0.00 H new ATOM 0 HE3 LYS A 19 3.971 -11.334 4.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.063 -12.201 6.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.035 -10.503 6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 1.001 -11.361 4.986 1.00 0.00 H new ATOM 316 N MET A 20 -0.528 -10.330 -0.497 1.00 0.00 N ATOM 317 CA MET A 20 -1.458 -11.094 -1.312 1.00 0.00 C ATOM 318 C MET A 20 -1.002 -12.548 -1.446 1.00 0.00 C ATOM 319 O MET A 20 0.193 -12.835 -1.384 1.00 0.00 O ATOM 320 CB MET A 20 -1.560 -10.459 -2.699 1.00 0.00 C ATOM 321 CG MET A 20 -2.697 -11.089 -3.508 1.00 0.00 C ATOM 322 SD MET A 20 -3.687 -9.813 -4.266 1.00 0.00 S ATOM 323 CE MET A 20 -4.375 -10.726 -5.637 1.00 0.00 C ATOM 0 H MET A 20 0.453 -10.440 -0.752 1.00 0.00 H new ATOM 0 HA MET A 20 -2.434 -11.083 -0.826 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.730 -9.387 -2.601 1.00 0.00 H new ATOM 0 HB3 MET A 20 -0.617 -10.585 -3.231 1.00 0.00 H new ATOM 0 HG2 MET A 20 -2.288 -11.747 -4.275 1.00 0.00 H new ATOM 0 HG3 MET A 20 -3.319 -11.705 -2.858 1.00 0.00 H new ATOM 0 HE1 MET A 20 -5.024 -10.073 -6.220 1.00 0.00 H new ATOM 0 HE2 MET A 20 -3.568 -11.095 -6.270 1.00 0.00 H new ATOM 0 HE3 MET A 20 -4.954 -11.569 -5.259 1.00 0.00 H new ATOM 333 N LYS A 21 -1.978 -13.426 -1.628 1.00 0.00 N ATOM 334 CA LYS A 21 -1.690 -14.843 -1.772 1.00 0.00 C ATOM 335 C LYS A 21 -0.698 -15.044 -2.920 1.00 0.00 C ATOM 336 O LYS A 21 -0.956 -14.627 -4.048 1.00 0.00 O ATOM 337 CB LYS A 21 -2.988 -15.638 -1.934 1.00 0.00 C ATOM 338 CG LYS A 21 -2.916 -16.965 -1.176 1.00 0.00 C ATOM 339 CD LYS A 21 -2.686 -18.134 -2.135 1.00 0.00 C ATOM 340 CE LYS A 21 -4.014 -18.767 -2.556 1.00 0.00 C ATOM 341 NZ LYS A 21 -3.862 -19.484 -3.841 1.00 0.00 N ATOM 0 H LYS A 21 -2.968 -13.184 -1.679 1.00 0.00 H new ATOM 0 HA LYS A 21 -1.216 -15.230 -0.870 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -3.828 -15.049 -1.565 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -3.173 -15.828 -2.991 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -2.109 -16.926 -0.444 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -3.841 -17.122 -0.622 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -2.149 -17.785 -3.017 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -2.057 -18.884 -1.655 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -4.355 -19.458 -1.785 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -4.777 -17.995 -2.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.772 -19.908 -4.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -3.558 -18.816 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.148 -20.234 -3.738 1.00 0.00 H new ATOM 355 N GLY A 22 0.415 -15.684 -2.593 1.00 0.00 N ATOM 356 CA GLY A 22 1.446 -15.945 -3.582 1.00 0.00 C ATOM 357 C GLY A 22 2.422 -14.772 -3.680 1.00 0.00 C ATOM 358 O GLY A 22 3.544 -14.931 -4.158 1.00 0.00 O ATOM 0 H GLY A 22 0.625 -16.029 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 22 1.988 -16.852 -3.316 1.00 0.00 H new ATOM 0 HA3 GLY A 22 0.986 -16.122 -4.554 1.00 0.00 H new ATOM 362 N TYR A 23 1.960 -13.619 -3.217 1.00 0.00 N ATOM 363 CA TYR A 23 2.779 -12.420 -3.246 1.00 0.00 C ATOM 364 C TYR A 23 3.162 -11.982 -1.831 1.00 0.00 C ATOM 365 O TYR A 23 2.312 -11.929 -0.943 1.00 0.00 O ATOM 366 CB TYR A 23 1.913 -11.333 -3.886 1.00 0.00 C ATOM 367 CG TYR A 23 2.704 -10.301 -4.691 1.00 0.00 C ATOM 368 CD1 TYR A 23 3.576 -10.715 -5.677 1.00 0.00 C ATOM 369 CD2 TYR A 23 2.544 -8.954 -4.431 1.00 0.00 C ATOM 370 CE1 TYR A 23 4.321 -9.742 -6.435 1.00 0.00 C ATOM 371 CE2 TYR A 23 3.290 -7.982 -5.188 1.00 0.00 C ATOM 372 CZ TYR A 23 4.141 -8.423 -6.154 1.00 0.00 C ATOM 373 OH TYR A 23 4.843 -7.505 -6.869 1.00 0.00 O ATOM 0 H TYR A 23 1.029 -13.491 -2.820 1.00 0.00 H new ATOM 0 HA TYR A 23 3.701 -12.599 -3.798 1.00 0.00 H new ATOM 0 HB2 TYR A 23 1.180 -11.805 -4.540 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.356 -10.819 -3.103 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.700 -11.768 -5.881 1.00 0.00 H new ATOM 0 HD2 TYR A 23 1.860 -8.630 -3.661 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.007 -10.053 -7.209 1.00 0.00 H new ATOM 0 HE2 TYR A 23 3.176 -6.926 -4.993 1.00 0.00 H new ATOM 0 HH TYR A 23 5.594 -7.177 -6.332 1.00 0.00 H new ATOM 383 N PRO A 24 4.475 -11.672 -1.661 1.00 0.00 N ATOM 384 CA PRO A 24 4.980 -11.241 -0.367 1.00 0.00 C ATOM 385 C PRO A 24 4.565 -9.799 -0.070 1.00 0.00 C ATOM 386 O PRO A 24 3.954 -9.139 -0.910 1.00 0.00 O ATOM 387 CB PRO A 24 6.486 -11.419 -0.455 1.00 0.00 C ATOM 388 CG PRO A 24 6.812 -11.500 -1.937 1.00 0.00 C ATOM 389 CD PRO A 24 5.510 -11.723 -2.689 1.00 0.00 C ATOM 0 HA PRO A 24 4.571 -11.822 0.460 1.00 0.00 H new ATOM 0 HB2 PRO A 24 7.006 -10.583 0.014 1.00 0.00 H new ATOM 0 HB3 PRO A 24 6.803 -12.323 0.064 1.00 0.00 H new ATOM 0 HG2 PRO A 24 7.294 -10.582 -2.273 1.00 0.00 H new ATOM 0 HG3 PRO A 24 7.509 -12.315 -2.131 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.354 -10.955 -3.447 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.510 -12.684 -3.204 1.00 0.00 H new ATOM 397 N HIS A 25 4.912 -9.352 1.128 1.00 0.00 N ATOM 398 CA HIS A 25 4.583 -8.000 1.546 1.00 0.00 C ATOM 399 C HIS A 25 5.041 -7.005 0.477 1.00 0.00 C ATOM 400 O HIS A 25 6.240 -6.814 0.275 1.00 0.00 O ATOM 401 CB HIS A 25 5.173 -7.699 2.926 1.00 0.00 C ATOM 402 CG HIS A 25 4.136 -7.439 3.993 1.00 0.00 C ATOM 403 ND1 HIS A 25 4.287 -7.858 5.302 1.00 0.00 N ATOM 404 CD2 HIS A 25 2.934 -6.798 3.929 1.00 0.00 C ATOM 405 CE1 HIS A 25 3.218 -7.480 5.988 1.00 0.00 C ATOM 406 NE2 HIS A 25 2.381 -6.824 5.135 1.00 0.00 N ATOM 0 H HIS A 25 5.418 -9.902 1.822 1.00 0.00 H new ATOM 0 HA HIS A 25 3.502 -7.901 1.646 1.00 0.00 H new ATOM 0 HB2 HIS A 25 5.795 -8.539 3.235 1.00 0.00 H new ATOM 0 HB3 HIS A 25 5.826 -6.830 2.849 1.00 0.00 H new ATOM 0 HD1 HIS A 25 5.085 -8.371 5.676 1.00 0.00 H new ATOM 0 HD2 HIS A 25 2.505 -6.346 3.047 1.00 0.00 H new ATOM 0 HE1 HIS A 25 3.041 -7.660 7.038 1.00 0.00 H new ATOM 414 N TRP A 26 4.064 -6.399 -0.179 1.00 0.00 N ATOM 415 CA TRP A 26 4.351 -5.429 -1.221 1.00 0.00 C ATOM 416 C TRP A 26 3.755 -4.086 -0.796 1.00 0.00 C ATOM 417 O TRP A 26 2.677 -4.040 -0.207 1.00 0.00 O ATOM 418 CB TRP A 26 3.830 -5.911 -2.577 1.00 0.00 C ATOM 419 CG TRP A 26 4.863 -5.836 -3.703 1.00 0.00 C ATOM 420 CD1 TRP A 26 5.162 -4.785 -4.480 1.00 0.00 C ATOM 421 CD2 TRP A 26 5.727 -6.901 -4.150 1.00 0.00 C ATOM 422 NE1 TRP A 26 6.151 -5.095 -5.390 1.00 0.00 N ATOM 423 CE2 TRP A 26 6.506 -6.423 -5.184 1.00 0.00 C ATOM 424 CE3 TRP A 26 5.847 -8.227 -3.696 1.00 0.00 C ATOM 425 CZ2 TRP A 26 7.460 -7.202 -5.850 1.00 0.00 C ATOM 426 CZ3 TRP A 26 6.804 -8.993 -4.373 1.00 0.00 C ATOM 427 CH2 TRP A 26 7.596 -8.526 -5.415 1.00 0.00 C ATOM 0 H TRP A 26 3.071 -6.561 -0.009 1.00 0.00 H new ATOM 0 HA TRP A 26 5.427 -5.307 -1.348 1.00 0.00 H new ATOM 0 HB2 TRP A 26 3.490 -6.942 -2.478 1.00 0.00 H new ATOM 0 HB3 TRP A 26 2.961 -5.314 -2.854 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.688 -3.818 -4.403 1.00 0.00 H new ATOM 0 HE1 TRP A 26 6.549 -4.465 -6.087 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.248 -8.623 -2.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 8.059 -6.803 -6.656 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 6.936 -10.019 -4.063 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.313 -9.181 -5.887 1.00 0.00 H new ATOM 438 N PRO A 27 4.503 -2.997 -1.120 1.00 0.00 N ATOM 439 CA PRO A 27 4.060 -1.656 -0.777 1.00 0.00 C ATOM 440 C PRO A 27 2.931 -1.198 -1.703 1.00 0.00 C ATOM 441 O PRO A 27 3.149 -0.981 -2.894 1.00 0.00 O ATOM 442 CB PRO A 27 5.304 -0.790 -0.886 1.00 0.00 C ATOM 443 CG PRO A 27 6.290 -1.581 -1.730 1.00 0.00 C ATOM 444 CD PRO A 27 5.785 -3.012 -1.817 1.00 0.00 C ATOM 0 HA PRO A 27 3.636 -1.597 0.226 1.00 0.00 H new ATOM 0 HB2 PRO A 27 5.073 0.168 -1.351 1.00 0.00 H new ATOM 0 HB3 PRO A 27 5.718 -0.575 0.099 1.00 0.00 H new ATOM 0 HG2 PRO A 27 6.376 -1.145 -2.725 1.00 0.00 H new ATOM 0 HG3 PRO A 27 7.284 -1.553 -1.283 1.00 0.00 H new ATOM 0 HD2 PRO A 27 5.668 -3.328 -2.854 1.00 0.00 H new ATOM 0 HD3 PRO A 27 6.482 -3.707 -1.349 1.00 0.00 H new ATOM 452 N ALA A 28 1.749 -1.065 -1.120 1.00 0.00 N ATOM 453 CA ALA A 28 0.586 -0.636 -1.878 1.00 0.00 C ATOM 454 C ALA A 28 -0.041 0.582 -1.197 1.00 0.00 C ATOM 455 O ALA A 28 0.165 0.807 -0.007 1.00 0.00 O ATOM 456 CB ALA A 28 -0.398 -1.802 -2.007 1.00 0.00 C ATOM 0 H ALA A 28 1.572 -1.247 -0.132 1.00 0.00 H new ATOM 0 HA ALA A 28 0.874 -0.338 -2.886 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -1.271 -1.480 -2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 28 0.086 -2.631 -2.523 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -0.711 -2.126 -1.014 1.00 0.00 H new ATOM 462 N ARG A 29 -0.795 1.337 -1.983 1.00 0.00 N ATOM 463 CA ARG A 29 -1.453 2.526 -1.471 1.00 0.00 C ATOM 464 C ARG A 29 -2.917 2.224 -1.142 1.00 0.00 C ATOM 465 O ARG A 29 -3.587 1.507 -1.884 1.00 0.00 O ATOM 466 CB ARG A 29 -1.392 3.671 -2.487 1.00 0.00 C ATOM 467 CG ARG A 29 -2.094 4.919 -1.949 1.00 0.00 C ATOM 468 CD ARG A 29 -3.157 5.415 -2.930 1.00 0.00 C ATOM 469 NE ARG A 29 -2.701 6.662 -3.583 1.00 0.00 N ATOM 470 CZ ARG A 29 -1.921 6.697 -4.672 1.00 0.00 C ATOM 471 NH1 ARG A 29 -1.505 5.557 -5.237 1.00 0.00 N ATOM 472 NH2 ARG A 29 -1.555 7.876 -5.197 1.00 0.00 N ATOM 0 H ARG A 29 -0.964 1.148 -2.971 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.929 2.830 -0.565 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -0.352 3.904 -2.715 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.861 3.359 -3.420 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.557 4.694 -0.988 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.361 5.706 -1.773 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.353 4.652 -3.683 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.095 5.592 -2.404 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.999 7.550 -3.179 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.782 4.660 -4.839 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.911 5.586 -6.066 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -1.870 8.746 -4.767 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.961 7.903 -6.026 1.00 0.00 H new ATOM 486 N ILE A 30 -3.367 2.786 -0.032 1.00 0.00 N ATOM 487 CA ILE A 30 -4.740 2.585 0.405 1.00 0.00 C ATOM 488 C ILE A 30 -5.676 3.421 -0.471 1.00 0.00 C ATOM 489 O ILE A 30 -5.296 4.487 -0.951 1.00 0.00 O ATOM 490 CB ILE A 30 -4.874 2.876 1.900 1.00 0.00 C ATOM 491 CG1 ILE A 30 -5.655 1.765 2.607 1.00 0.00 C ATOM 492 CG2 ILE A 30 -5.495 4.253 2.139 1.00 0.00 C ATOM 493 CD1 ILE A 30 -7.076 1.655 2.052 1.00 0.00 C ATOM 0 H ILE A 30 -2.807 3.381 0.579 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.032 1.542 0.280 1.00 0.00 H new ATOM 0 HB ILE A 30 -3.874 2.895 2.334 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -5.137 0.814 2.481 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.694 1.967 3.677 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -5.578 4.433 3.211 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -4.864 5.020 1.690 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.486 4.289 1.687 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -7.609 0.859 2.571 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -7.599 2.599 2.202 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.034 1.429 0.987 1.00 0.00 H new ATOM 505 N ASP A 31 -6.883 2.903 -0.651 1.00 0.00 N ATOM 506 CA ASP A 31 -7.876 3.589 -1.459 1.00 0.00 C ATOM 507 C ASP A 31 -9.269 3.064 -1.104 1.00 0.00 C ATOM 508 O ASP A 31 -9.411 1.925 -0.659 1.00 0.00 O ATOM 509 CB ASP A 31 -7.642 3.335 -2.950 1.00 0.00 C ATOM 510 CG ASP A 31 -6.208 3.565 -3.428 1.00 0.00 C ATOM 511 OD1 ASP A 31 -5.354 2.720 -3.086 1.00 0.00 O ATOM 512 OD2 ASP A 31 -5.998 4.582 -4.124 1.00 0.00 O ATOM 0 H ASP A 31 -7.195 2.018 -0.252 1.00 0.00 H new ATOM 0 HA ASP A 31 -7.796 4.657 -1.257 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -7.924 2.307 -3.176 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -8.308 3.981 -3.522 1.00 0.00 H new ATOM 517 N GLU A 32 -10.260 3.918 -1.310 1.00 0.00 N ATOM 518 CA GLU A 32 -11.636 3.554 -1.017 1.00 0.00 C ATOM 519 C GLU A 32 -12.348 3.100 -2.291 1.00 0.00 C ATOM 520 O GLU A 32 -11.916 3.421 -3.397 1.00 0.00 O ATOM 521 CB GLU A 32 -12.380 4.714 -0.354 1.00 0.00 C ATOM 522 CG GLU A 32 -13.293 4.212 0.766 1.00 0.00 C ATOM 523 CD GLU A 32 -14.676 4.863 0.680 1.00 0.00 C ATOM 524 OE1 GLU A 32 -15.328 4.672 -0.369 1.00 0.00 O ATOM 525 OE2 GLU A 32 -15.049 5.536 1.664 1.00 0.00 O ATOM 0 H GLU A 32 -10.138 4.862 -1.677 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.630 2.721 -0.313 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.662 5.428 0.050 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.972 5.245 -1.100 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.393 3.129 0.701 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -12.843 4.433 1.734 1.00 0.00 H new ATOM 532 N MET A 33 -13.431 2.361 -2.095 1.00 0.00 N ATOM 533 CA MET A 33 -14.209 1.860 -3.215 1.00 0.00 C ATOM 534 C MET A 33 -15.010 2.986 -3.873 1.00 0.00 C ATOM 535 O MET A 33 -15.925 3.540 -3.264 1.00 0.00 O ATOM 536 CB MET A 33 -15.165 0.770 -2.728 1.00 0.00 C ATOM 537 CG MET A 33 -14.809 -0.586 -3.341 1.00 0.00 C ATOM 538 SD MET A 33 -15.043 -0.536 -5.110 1.00 0.00 S ATOM 539 CE MET A 33 -14.100 -1.975 -5.588 1.00 0.00 C ATOM 0 H MET A 33 -13.788 2.097 -1.176 1.00 0.00 H new ATOM 0 HA MET A 33 -13.522 1.448 -3.954 1.00 0.00 H new ATOM 0 HB2 MET A 33 -15.123 0.704 -1.641 1.00 0.00 H new ATOM 0 HB3 MET A 33 -16.189 1.035 -2.992 1.00 0.00 H new ATOM 0 HG2 MET A 33 -13.774 -0.839 -3.110 1.00 0.00 H new ATOM 0 HG3 MET A 33 -15.433 -1.366 -2.905 1.00 0.00 H new ATOM 0 HE1 MET A 33 -14.283 -2.197 -6.639 1.00 0.00 H new ATOM 0 HE2 MET A 33 -13.038 -1.781 -5.437 1.00 0.00 H new ATOM 0 HE3 MET A 33 -14.403 -2.827 -4.979 1.00 0.00 H new ATOM 549 N PRO A 34 -14.630 3.299 -5.139 1.00 0.00 N ATOM 550 CA PRO A 34 -15.303 4.348 -5.887 1.00 0.00 C ATOM 551 C PRO A 34 -16.674 3.878 -6.379 1.00 0.00 C ATOM 552 O PRO A 34 -17.015 2.704 -6.246 1.00 0.00 O ATOM 553 CB PRO A 34 -14.352 4.696 -7.021 1.00 0.00 C ATOM 554 CG PRO A 34 -13.399 3.518 -7.142 1.00 0.00 C ATOM 555 CD PRO A 34 -13.552 2.665 -5.893 1.00 0.00 C ATOM 0 HA PRO A 34 -15.515 5.228 -5.279 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -14.896 4.855 -7.952 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -13.810 5.617 -6.807 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -13.626 2.934 -8.034 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -12.371 3.867 -7.242 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.799 1.634 -6.146 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -12.628 2.639 -5.316 1.00 0.00 H new ATOM 563 N GLU A 35 -17.422 4.820 -6.935 1.00 0.00 N ATOM 564 CA GLU A 35 -18.748 4.517 -7.445 1.00 0.00 C ATOM 565 C GLU A 35 -19.028 5.335 -8.708 1.00 0.00 C ATOM 566 O GLU A 35 -20.158 5.769 -8.933 1.00 0.00 O ATOM 567 CB GLU A 35 -19.816 4.769 -6.380 1.00 0.00 C ATOM 568 CG GLU A 35 -19.695 6.180 -5.804 1.00 0.00 C ATOM 569 CD GLU A 35 -20.849 6.481 -4.844 1.00 0.00 C ATOM 570 OE1 GLU A 35 -21.996 6.533 -5.336 1.00 0.00 O ATOM 571 OE2 GLU A 35 -20.556 6.652 -3.641 1.00 0.00 O ATOM 0 H GLU A 35 -17.135 5.793 -7.043 1.00 0.00 H new ATOM 0 HA GLU A 35 -18.785 3.459 -7.704 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -20.807 4.634 -6.814 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -19.716 4.036 -5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -18.745 6.282 -5.280 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -19.692 6.909 -6.615 1.00 0.00 H new ATOM 578 N ALA A 36 -17.982 5.520 -9.501 1.00 0.00 N ATOM 579 CA ALA A 36 -18.102 6.277 -10.734 1.00 0.00 C ATOM 580 C ALA A 36 -18.044 5.318 -11.924 1.00 0.00 C ATOM 581 O ALA A 36 -19.027 5.156 -12.645 1.00 0.00 O ATOM 582 CB ALA A 36 -17.005 7.342 -10.788 1.00 0.00 C ATOM 0 H ALA A 36 -17.047 5.158 -9.312 1.00 0.00 H new ATOM 0 HA ALA A 36 -19.060 6.795 -10.775 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -17.095 7.910 -11.714 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -17.109 8.015 -9.937 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -16.028 6.860 -10.752 1.00 0.00 H new ATOM 588 N ALA A 37 -16.880 4.708 -12.094 1.00 0.00 N ATOM 589 CA ALA A 37 -16.681 3.767 -13.184 1.00 0.00 C ATOM 590 C ALA A 37 -17.705 2.637 -13.073 1.00 0.00 C ATOM 591 O ALA A 37 -18.314 2.246 -14.067 1.00 0.00 O ATOM 592 CB ALA A 37 -15.239 3.253 -13.157 1.00 0.00 C ATOM 0 H ALA A 37 -16.066 4.847 -11.496 1.00 0.00 H new ATOM 0 HA ALA A 37 -16.836 4.256 -14.146 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.089 2.547 -13.974 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.552 4.091 -13.271 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -15.048 2.754 -12.207 1.00 0.00 H new ATOM 598 N VAL A 38 -17.864 2.143 -11.854 1.00 0.00 N ATOM 599 CA VAL A 38 -18.804 1.065 -11.598 1.00 0.00 C ATOM 600 C VAL A 38 -19.469 1.285 -10.238 1.00 0.00 C ATOM 601 O VAL A 38 -19.136 2.231 -9.525 1.00 0.00 O ATOM 602 CB VAL A 38 -18.095 -0.286 -11.706 1.00 0.00 C ATOM 603 CG1 VAL A 38 -17.524 -0.494 -13.111 1.00 0.00 C ATOM 604 CG2 VAL A 38 -17.001 -0.416 -10.646 1.00 0.00 C ATOM 0 H VAL A 38 -17.357 2.470 -11.032 1.00 0.00 H new ATOM 0 HA VAL A 38 -19.594 1.062 -12.349 1.00 0.00 H new ATOM 0 HB VAL A 38 -18.833 -1.068 -11.524 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -17.025 -1.462 -13.161 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -18.333 -0.465 -13.841 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -16.807 0.296 -13.333 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -16.512 -1.385 -10.744 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -16.266 0.377 -10.783 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -17.444 -0.332 -9.654 1.00 0.00 H new ATOM 614 N LYS A 39 -20.396 0.395 -9.917 1.00 0.00 N ATOM 615 CA LYS A 39 -21.110 0.478 -8.653 1.00 0.00 C ATOM 616 C LYS A 39 -20.604 -0.617 -7.713 1.00 0.00 C ATOM 617 O LYS A 39 -20.538 -1.785 -8.095 1.00 0.00 O ATOM 618 CB LYS A 39 -22.621 0.439 -8.889 1.00 0.00 C ATOM 619 CG LYS A 39 -23.084 1.660 -9.686 1.00 0.00 C ATOM 620 CD LYS A 39 -23.970 1.244 -10.862 1.00 0.00 C ATOM 621 CE LYS A 39 -23.311 1.597 -12.197 1.00 0.00 C ATOM 622 NZ LYS A 39 -23.998 0.909 -13.312 1.00 0.00 N ATOM 0 H LYS A 39 -20.670 -0.388 -10.510 1.00 0.00 H new ATOM 0 HA LYS A 39 -20.912 1.432 -8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -22.885 -0.472 -9.426 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -23.141 0.407 -7.932 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -23.635 2.337 -9.033 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -22.217 2.208 -10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -24.159 0.171 -10.818 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -24.937 1.741 -10.787 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -23.344 2.675 -12.352 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -22.260 1.310 -12.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -23.538 1.160 -14.211 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -23.944 -0.120 -13.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -24.995 1.203 -13.340 1.00 0.00 H new ATOM 636 N SER A 40 -20.261 -0.203 -6.504 1.00 0.00 N ATOM 637 CA SER A 40 -19.764 -1.134 -5.506 1.00 0.00 C ATOM 638 C SER A 40 -20.406 -0.841 -4.149 1.00 0.00 C ATOM 639 O SER A 40 -21.100 0.163 -3.991 1.00 0.00 O ATOM 640 CB SER A 40 -18.239 -1.064 -5.398 1.00 0.00 C ATOM 641 OG SER A 40 -17.623 -2.312 -5.706 1.00 0.00 O ATOM 0 H SER A 40 -20.317 0.766 -6.192 1.00 0.00 H new ATOM 0 HA SER A 40 -20.034 -2.143 -5.817 1.00 0.00 H new ATOM 0 HB2 SER A 40 -17.863 -0.297 -6.075 1.00 0.00 H new ATOM 0 HB3 SER A 40 -17.961 -0.762 -4.388 1.00 0.00 H new ATOM 0 HG SER A 40 -16.669 -2.269 -5.486 1.00 0.00 H new ATOM 647 N THR A 41 -20.154 -1.735 -3.204 1.00 0.00 N ATOM 648 CA THR A 41 -20.698 -1.583 -1.866 1.00 0.00 C ATOM 649 C THR A 41 -19.572 -1.379 -0.851 1.00 0.00 C ATOM 650 O THR A 41 -18.395 -1.411 -1.210 1.00 0.00 O ATOM 651 CB THR A 41 -21.569 -2.806 -1.569 1.00 0.00 C ATOM 652 OG1 THR A 41 -20.680 -3.909 -1.715 1.00 0.00 O ATOM 653 CG2 THR A 41 -22.633 -3.041 -2.643 1.00 0.00 C ATOM 0 H THR A 41 -19.580 -2.567 -3.339 1.00 0.00 H new ATOM 0 HA THR A 41 -21.323 -0.693 -1.792 1.00 0.00 H new ATOM 0 HB THR A 41 -22.052 -2.681 -0.600 1.00 0.00 H new ATOM 0 HG1 THR A 41 -21.162 -4.744 -1.538 1.00 0.00 H new ATOM 0 HG21 THR A 41 -23.223 -3.920 -2.384 1.00 0.00 H new ATOM 0 HG22 THR A 41 -23.286 -2.171 -2.705 1.00 0.00 H new ATOM 0 HG23 THR A 41 -22.149 -3.200 -3.606 1.00 0.00 H new ATOM 661 N ALA A 42 -19.971 -1.174 0.396 1.00 0.00 N ATOM 662 CA ALA A 42 -19.011 -0.965 1.465 1.00 0.00 C ATOM 663 C ALA A 42 -18.875 -2.252 2.283 1.00 0.00 C ATOM 664 O ALA A 42 -19.874 -2.842 2.687 1.00 0.00 O ATOM 665 CB ALA A 42 -19.449 0.226 2.320 1.00 0.00 C ATOM 0 H ALA A 42 -20.948 -1.148 0.689 1.00 0.00 H new ATOM 0 HA ALA A 42 -18.028 -0.729 1.057 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -18.728 0.383 3.122 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -19.501 1.120 1.699 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -20.431 0.025 2.749 1.00 0.00 H new ATOM 671 N ASN A 43 -17.630 -2.647 2.501 1.00 0.00 N ATOM 672 CA ASN A 43 -17.350 -3.852 3.262 1.00 0.00 C ATOM 673 C ASN A 43 -15.861 -4.189 3.149 1.00 0.00 C ATOM 674 O ASN A 43 -15.266 -4.713 4.089 1.00 0.00 O ATOM 675 CB ASN A 43 -18.146 -5.042 2.723 1.00 0.00 C ATOM 676 CG ASN A 43 -17.978 -5.173 1.208 1.00 0.00 C ATOM 677 OD1 ASN A 43 -17.032 -5.764 0.712 1.00 0.00 O ATOM 678 ND2 ASN A 43 -18.943 -4.590 0.504 1.00 0.00 N ATOM 0 H ASN A 43 -16.803 -2.154 2.164 1.00 0.00 H new ATOM 0 HA ASN A 43 -17.633 -3.668 4.298 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -17.812 -5.958 3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -19.201 -4.918 2.966 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -18.920 -4.621 -0.515 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -19.706 -4.112 0.983 1.00 0.00 H new ATOM 685 N LYS A 44 -15.303 -3.873 1.990 1.00 0.00 N ATOM 686 CA LYS A 44 -13.896 -4.136 1.741 1.00 0.00 C ATOM 687 C LYS A 44 -13.186 -2.821 1.413 1.00 0.00 C ATOM 688 O LYS A 44 -13.832 -1.791 1.231 1.00 0.00 O ATOM 689 CB LYS A 44 -13.734 -5.207 0.660 1.00 0.00 C ATOM 690 CG LYS A 44 -14.420 -4.784 -0.639 1.00 0.00 C ATOM 691 CD LYS A 44 -13.416 -4.710 -1.792 1.00 0.00 C ATOM 692 CE LYS A 44 -13.128 -3.259 -2.178 1.00 0.00 C ATOM 693 NZ LYS A 44 -12.275 -3.202 -3.385 1.00 0.00 N ATOM 0 H LYS A 44 -15.800 -3.437 1.213 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.421 -4.542 2.634 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.675 -5.384 0.475 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -14.158 -6.148 1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -15.210 -5.494 -0.885 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.895 -3.813 -0.503 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -12.488 -5.204 -1.503 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -13.808 -5.248 -2.655 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -14.065 -2.733 -2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.633 -2.748 -1.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.159 -2.212 -3.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.343 -3.610 -3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -12.722 -3.743 -4.152 1.00 0.00 H new ATOM 707 N TYR A 45 -11.865 -2.899 1.351 1.00 0.00 N ATOM 708 CA TYR A 45 -11.060 -1.728 1.049 1.00 0.00 C ATOM 709 C TYR A 45 -10.320 -1.896 -0.280 1.00 0.00 C ATOM 710 O TYR A 45 -9.856 -2.990 -0.600 1.00 0.00 O ATOM 711 CB TYR A 45 -10.035 -1.617 2.179 1.00 0.00 C ATOM 712 CG TYR A 45 -10.087 -0.290 2.940 1.00 0.00 C ATOM 713 CD1 TYR A 45 -10.399 0.877 2.271 1.00 0.00 C ATOM 714 CD2 TYR A 45 -9.822 -0.261 4.294 1.00 0.00 C ATOM 715 CE1 TYR A 45 -10.447 2.125 2.986 1.00 0.00 C ATOM 716 CE2 TYR A 45 -9.871 0.989 5.010 1.00 0.00 C ATOM 717 CZ TYR A 45 -10.182 2.120 4.320 1.00 0.00 C ATOM 718 OH TYR A 45 -10.227 3.300 4.997 1.00 0.00 O ATOM 0 H TYR A 45 -11.332 -3.755 1.505 1.00 0.00 H new ATOM 0 HA TYR A 45 -11.690 -0.842 0.967 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -10.196 -2.434 2.883 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -9.036 -1.746 1.763 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -10.607 0.853 1.211 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -9.578 -1.174 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -10.688 3.045 2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -9.666 1.027 6.070 1.00 0.00 H new ATOM 0 HH TYR A 45 -10.017 3.144 5.941 1.00 0.00 H new ATOM 728 N GLN A 46 -10.234 -0.799 -1.017 1.00 0.00 N ATOM 729 CA GLN A 46 -9.559 -0.813 -2.304 1.00 0.00 C ATOM 730 C GLN A 46 -8.080 -0.464 -2.130 1.00 0.00 C ATOM 731 O GLN A 46 -7.741 0.654 -1.744 1.00 0.00 O ATOM 732 CB GLN A 46 -10.236 0.143 -3.288 1.00 0.00 C ATOM 733 CG GLN A 46 -9.463 0.208 -4.608 1.00 0.00 C ATOM 734 CD GLN A 46 -10.000 1.327 -5.502 1.00 0.00 C ATOM 735 OE1 GLN A 46 -11.071 1.236 -6.080 1.00 0.00 O ATOM 736 NE2 GLN A 46 -9.198 2.386 -5.585 1.00 0.00 N ATOM 0 H GLN A 46 -10.620 0.106 -0.748 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.629 -1.818 -2.719 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -11.258 -0.187 -3.476 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -10.298 1.139 -2.849 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -8.405 0.375 -4.406 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -9.542 -0.747 -5.127 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -8.315 2.398 -5.075 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -9.467 3.186 -6.158 1.00 0.00 H new ATOM 745 N VAL A 47 -7.235 -1.443 -2.423 1.00 0.00 N ATOM 746 CA VAL A 47 -5.800 -1.253 -2.305 1.00 0.00 C ATOM 747 C VAL A 47 -5.185 -1.155 -3.702 1.00 0.00 C ATOM 748 O VAL A 47 -5.689 -1.757 -4.649 1.00 0.00 O ATOM 749 CB VAL A 47 -5.192 -2.378 -1.463 1.00 0.00 C ATOM 750 CG1 VAL A 47 -3.694 -2.522 -1.741 1.00 0.00 C ATOM 751 CG2 VAL A 47 -5.453 -2.149 0.027 1.00 0.00 C ATOM 0 H VAL A 47 -7.518 -2.370 -2.742 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.580 -0.319 -1.787 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.677 -3.311 -1.749 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.286 -3.328 -1.130 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -3.540 -2.752 -2.795 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -3.187 -1.589 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -5.011 -2.962 0.603 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -5.007 -1.203 0.333 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.527 -2.119 0.208 1.00 0.00 H new ATOM 761 N PHE A 48 -4.107 -0.390 -3.787 1.00 0.00 N ATOM 762 CA PHE A 48 -3.418 -0.205 -5.052 1.00 0.00 C ATOM 763 C PHE A 48 -1.945 -0.600 -4.940 1.00 0.00 C ATOM 764 O PHE A 48 -1.134 0.158 -4.410 1.00 0.00 O ATOM 765 CB PHE A 48 -3.510 1.283 -5.397 1.00 0.00 C ATOM 766 CG PHE A 48 -3.674 1.568 -6.891 1.00 0.00 C ATOM 767 CD1 PHE A 48 -3.336 0.619 -7.806 1.00 0.00 C ATOM 768 CD2 PHE A 48 -4.157 2.769 -7.307 1.00 0.00 C ATOM 769 CE1 PHE A 48 -3.488 0.881 -9.192 1.00 0.00 C ATOM 770 CE2 PHE A 48 -4.309 3.032 -8.694 1.00 0.00 C ATOM 771 CZ PHE A 48 -3.971 2.083 -9.607 1.00 0.00 C ATOM 0 H PHE A 48 -3.694 0.109 -2.999 1.00 0.00 H new ATOM 0 HA PHE A 48 -3.875 -0.831 -5.819 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -4.353 1.718 -4.860 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -2.611 1.784 -5.039 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.951 -0.335 -7.477 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -4.425 3.523 -6.582 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.220 0.127 -9.917 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -4.693 3.986 -9.024 1.00 0.00 H new ATOM 0 HZ PHE A 48 -4.086 2.284 -10.662 1.00 0.00 H new ATOM 781 N PHE A 49 -1.644 -1.787 -5.444 1.00 0.00 N ATOM 782 CA PHE A 49 -0.281 -2.292 -5.407 1.00 0.00 C ATOM 783 C PHE A 49 0.617 -1.522 -6.376 1.00 0.00 C ATOM 784 O PHE A 49 0.316 -1.425 -7.565 1.00 0.00 O ATOM 785 CB PHE A 49 -0.337 -3.760 -5.839 1.00 0.00 C ATOM 786 CG PHE A 49 -0.629 -4.734 -4.697 1.00 0.00 C ATOM 787 CD1 PHE A 49 -1.392 -4.338 -3.644 1.00 0.00 C ATOM 788 CD2 PHE A 49 -0.123 -5.997 -4.735 1.00 0.00 C ATOM 789 CE1 PHE A 49 -1.664 -5.243 -2.583 1.00 0.00 C ATOM 790 CE2 PHE A 49 -0.395 -6.901 -3.675 1.00 0.00 C ATOM 791 CZ PHE A 49 -1.159 -6.506 -2.622 1.00 0.00 C ATOM 0 H PHE A 49 -2.320 -2.414 -5.880 1.00 0.00 H new ATOM 0 HA PHE A 49 0.131 -2.177 -4.404 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -1.104 -3.874 -6.605 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.614 -4.029 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -1.792 -3.335 -3.614 1.00 0.00 H new ATOM 0 HD2 PHE A 49 0.485 -6.311 -5.571 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.271 -4.929 -1.747 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.005 -7.904 -3.705 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.365 -7.195 -1.816 1.00 0.00 H new ATOM 801 N PHE A 50 1.703 -0.990 -5.831 1.00 0.00 N ATOM 802 CA PHE A 50 2.647 -0.231 -6.633 1.00 0.00 C ATOM 803 C PHE A 50 3.496 -1.157 -7.505 1.00 0.00 C ATOM 804 O PHE A 50 3.704 -0.887 -8.687 1.00 0.00 O ATOM 805 CB PHE A 50 3.562 0.514 -5.659 1.00 0.00 C ATOM 806 CG PHE A 50 3.022 1.877 -5.218 1.00 0.00 C ATOM 807 CD1 PHE A 50 3.071 2.935 -6.072 1.00 0.00 C ATOM 808 CD2 PHE A 50 2.496 2.030 -3.975 1.00 0.00 C ATOM 809 CE1 PHE A 50 2.572 4.200 -5.664 1.00 0.00 C ATOM 810 CE2 PHE A 50 1.997 3.295 -3.566 1.00 0.00 C ATOM 811 CZ PHE A 50 2.044 4.354 -4.419 1.00 0.00 C ATOM 0 H PHE A 50 1.949 -1.070 -4.844 1.00 0.00 H new ATOM 0 HA PHE A 50 2.111 0.452 -7.292 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.719 -0.106 -4.777 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.536 0.655 -6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.489 2.813 -7.060 1.00 0.00 H new ATOM 0 HD2 PHE A 50 2.457 1.190 -3.298 1.00 0.00 H new ATOM 0 HE1 PHE A 50 2.611 5.040 -6.342 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.580 3.417 -2.577 1.00 0.00 H new ATOM 0 HZ PHE A 50 1.663 5.316 -4.109 1.00 0.00 H new ATOM 821 N GLY A 51 3.965 -2.232 -6.888 1.00 0.00 N ATOM 822 CA GLY A 51 4.788 -3.200 -7.592 1.00 0.00 C ATOM 823 C GLY A 51 4.166 -3.571 -8.940 1.00 0.00 C ATOM 824 O GLY A 51 4.801 -3.417 -9.983 1.00 0.00 O ATOM 0 H GLY A 51 3.790 -2.454 -5.908 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.785 -2.789 -7.748 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.904 -4.096 -6.982 1.00 0.00 H new ATOM 828 N THR A 52 2.932 -4.049 -8.875 1.00 0.00 N ATOM 829 CA THR A 52 2.218 -4.442 -10.078 1.00 0.00 C ATOM 830 C THR A 52 1.517 -3.234 -10.700 1.00 0.00 C ATOM 831 O THR A 52 1.305 -3.189 -11.911 1.00 0.00 O ATOM 832 CB THR A 52 1.261 -5.578 -9.710 1.00 0.00 C ATOM 833 OG1 THR A 52 0.382 -4.995 -8.751 1.00 0.00 O ATOM 834 CG2 THR A 52 1.957 -6.704 -8.941 1.00 0.00 C ATOM 0 H THR A 52 2.409 -4.173 -8.008 1.00 0.00 H new ATOM 0 HA THR A 52 2.903 -4.810 -10.842 1.00 0.00 H new ATOM 0 HB THR A 52 0.811 -5.982 -10.617 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.273 -5.663 -8.459 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.234 -7.484 -8.704 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.756 -7.123 -9.553 1.00 0.00 H new ATOM 0 HG23 THR A 52 2.378 -6.307 -8.017 1.00 0.00 H new ATOM 842 N HIS A 53 1.175 -2.282 -9.843 1.00 0.00 N ATOM 843 CA HIS A 53 0.501 -1.076 -10.293 1.00 0.00 C ATOM 844 C HIS A 53 -0.959 -1.397 -10.623 1.00 0.00 C ATOM 845 O HIS A 53 -1.507 -0.878 -11.594 1.00 0.00 O ATOM 846 CB HIS A 53 1.248 -0.443 -11.468 1.00 0.00 C ATOM 847 CG HIS A 53 1.002 1.038 -11.627 1.00 0.00 C ATOM 848 ND1 HIS A 53 0.505 1.596 -12.792 1.00 0.00 N ATOM 849 CD2 HIS A 53 1.187 2.071 -10.754 1.00 0.00 C ATOM 850 CE1 HIS A 53 0.401 2.904 -12.619 1.00 0.00 C ATOM 851 NE2 HIS A 53 0.824 3.198 -11.355 1.00 0.00 N ATOM 0 H HIS A 53 1.352 -2.322 -8.839 1.00 0.00 H new ATOM 0 HA HIS A 53 0.503 -0.334 -9.494 1.00 0.00 H new ATOM 0 HB2 HIS A 53 2.317 -0.611 -11.338 1.00 0.00 H new ATOM 0 HB3 HIS A 53 0.955 -0.950 -12.387 1.00 0.00 H new ATOM 0 HD2 HIS A 53 1.565 1.986 -9.746 1.00 0.00 H new ATOM 0 HE1 HIS A 53 0.044 3.614 -13.350 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.856 4.129 -10.941 1.00 0.00 H new ATOM 859 N GLU A 54 -1.544 -2.249 -9.797 1.00 0.00 N ATOM 860 CA GLU A 54 -2.929 -2.645 -9.988 1.00 0.00 C ATOM 861 C GLU A 54 -3.703 -2.525 -8.673 1.00 0.00 C ATOM 862 O GLU A 54 -3.115 -2.592 -7.595 1.00 0.00 O ATOM 863 CB GLU A 54 -3.022 -4.065 -10.550 1.00 0.00 C ATOM 864 CG GLU A 54 -2.600 -4.101 -12.021 1.00 0.00 C ATOM 865 CD GLU A 54 -3.821 -4.155 -12.941 1.00 0.00 C ATOM 866 OE1 GLU A 54 -4.727 -4.960 -12.636 1.00 0.00 O ATOM 867 OE2 GLU A 54 -3.822 -3.388 -13.929 1.00 0.00 O ATOM 0 H GLU A 54 -1.085 -2.677 -8.993 1.00 0.00 H new ATOM 0 HA GLU A 54 -3.381 -1.971 -10.716 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.386 -4.732 -9.969 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -4.043 -4.433 -10.452 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -2.004 -3.219 -12.254 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.967 -4.970 -12.200 1.00 0.00 H new ATOM 874 N THR A 55 -5.009 -2.353 -8.806 1.00 0.00 N ATOM 875 CA THR A 55 -5.869 -2.223 -7.641 1.00 0.00 C ATOM 876 C THR A 55 -6.466 -3.580 -7.266 1.00 0.00 C ATOM 877 O THR A 55 -7.274 -4.135 -8.008 1.00 0.00 O ATOM 878 CB THR A 55 -6.925 -1.160 -7.949 1.00 0.00 C ATOM 879 OG1 THR A 55 -6.274 0.072 -7.653 1.00 0.00 O ATOM 880 CG2 THR A 55 -8.102 -1.203 -6.972 1.00 0.00 C ATOM 0 H THR A 55 -5.493 -2.301 -9.702 1.00 0.00 H new ATOM 0 HA THR A 55 -5.305 -1.898 -6.767 1.00 0.00 H new ATOM 0 HB THR A 55 -7.292 -1.298 -8.966 1.00 0.00 H new ATOM 0 HG1 THR A 55 -5.394 0.089 -8.084 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.822 -0.428 -7.236 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.584 -2.179 -7.025 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.740 -1.032 -5.958 1.00 0.00 H new ATOM 888 N ALA A 56 -6.044 -4.078 -6.112 1.00 0.00 N ATOM 889 CA ALA A 56 -6.526 -5.361 -5.628 1.00 0.00 C ATOM 890 C ALA A 56 -7.359 -5.142 -4.363 1.00 0.00 C ATOM 891 O ALA A 56 -6.983 -4.356 -3.495 1.00 0.00 O ATOM 892 CB ALA A 56 -5.339 -6.297 -5.390 1.00 0.00 C ATOM 0 H ALA A 56 -5.373 -3.616 -5.498 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.169 -5.834 -6.370 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -5.701 -7.259 -5.027 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -4.797 -6.442 -6.325 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.672 -5.857 -4.649 1.00 0.00 H new ATOM 898 N PHE A 57 -8.476 -5.853 -4.299 1.00 0.00 N ATOM 899 CA PHE A 57 -9.365 -5.748 -3.155 1.00 0.00 C ATOM 900 C PHE A 57 -8.730 -6.364 -1.908 1.00 0.00 C ATOM 901 O PHE A 57 -8.596 -7.582 -1.812 1.00 0.00 O ATOM 902 CB PHE A 57 -10.636 -6.526 -3.503 1.00 0.00 C ATOM 903 CG PHE A 57 -10.436 -8.041 -3.581 1.00 0.00 C ATOM 904 CD1 PHE A 57 -10.014 -8.612 -4.741 1.00 0.00 C ATOM 905 CD2 PHE A 57 -10.680 -8.815 -2.491 1.00 0.00 C ATOM 906 CE1 PHE A 57 -9.829 -10.018 -4.813 1.00 0.00 C ATOM 907 CE2 PHE A 57 -10.494 -10.221 -2.563 1.00 0.00 C ATOM 908 CZ PHE A 57 -10.072 -10.794 -3.722 1.00 0.00 C ATOM 0 H PHE A 57 -8.785 -6.504 -5.021 1.00 0.00 H new ATOM 0 HA PHE A 57 -9.575 -4.700 -2.943 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.399 -6.308 -2.756 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -11.017 -6.170 -4.460 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -9.820 -7.996 -5.607 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -11.015 -8.361 -1.570 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -9.495 -10.472 -5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -10.688 -10.836 -1.697 1.00 0.00 H new ATOM 0 HZ PHE A 57 -9.930 -11.863 -3.776 1.00 0.00 H new ATOM 918 N LEU A 58 -8.355 -5.493 -0.982 1.00 0.00 N ATOM 919 CA LEU A 58 -7.736 -5.936 0.256 1.00 0.00 C ATOM 920 C LEU A 58 -8.414 -5.239 1.437 1.00 0.00 C ATOM 921 O LEU A 58 -9.302 -4.410 1.248 1.00 0.00 O ATOM 922 CB LEU A 58 -6.222 -5.726 0.203 1.00 0.00 C ATOM 923 CG LEU A 58 -5.451 -6.632 -0.760 1.00 0.00 C ATOM 924 CD1 LEU A 58 -3.949 -6.351 -0.692 1.00 0.00 C ATOM 925 CD2 LEU A 58 -5.772 -8.105 -0.502 1.00 0.00 C ATOM 0 H LEU A 58 -8.468 -4.483 -1.064 1.00 0.00 H new ATOM 0 HA LEU A 58 -7.880 -7.008 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.029 -4.689 -0.072 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.820 -5.870 1.206 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.775 -6.406 -1.776 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.424 -7.008 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.761 -5.312 -0.963 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -3.590 -6.532 0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -5.211 -8.727 -1.200 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -5.494 -8.364 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -6.840 -8.275 -0.642 1.00 0.00 H new ATOM 937 N GLY A 59 -7.968 -5.602 2.632 1.00 0.00 N ATOM 938 CA GLY A 59 -8.520 -5.021 3.844 1.00 0.00 C ATOM 939 C GLY A 59 -7.407 -4.561 4.788 1.00 0.00 C ATOM 940 O GLY A 59 -6.270 -4.364 4.362 1.00 0.00 O ATOM 0 H GLY A 59 -7.231 -6.291 2.786 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -9.158 -4.175 3.588 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -9.150 -5.754 4.349 1.00 0.00 H new ATOM 944 N PRO A 60 -7.783 -4.400 6.085 1.00 0.00 N ATOM 945 CA PRO A 60 -6.830 -3.966 7.092 1.00 0.00 C ATOM 946 C PRO A 60 -5.880 -5.104 7.474 1.00 0.00 C ATOM 947 O PRO A 60 -4.672 -4.900 7.579 1.00 0.00 O ATOM 948 CB PRO A 60 -7.680 -3.488 8.257 1.00 0.00 C ATOM 949 CG PRO A 60 -9.057 -4.096 8.049 1.00 0.00 C ATOM 950 CD PRO A 60 -9.122 -4.624 6.625 1.00 0.00 C ATOM 0 HA PRO A 60 -6.178 -3.168 6.738 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -7.253 -3.806 9.208 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -7.734 -2.400 8.280 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -9.231 -4.901 8.763 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -9.833 -3.349 8.215 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -9.385 -5.682 6.606 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -9.877 -4.098 6.042 1.00 0.00 H new ATOM 958 N LYS A 61 -6.463 -6.278 7.669 1.00 0.00 N ATOM 959 CA LYS A 61 -5.684 -7.448 8.036 1.00 0.00 C ATOM 960 C LYS A 61 -4.605 -7.691 6.978 1.00 0.00 C ATOM 961 O LYS A 61 -3.443 -7.912 7.312 1.00 0.00 O ATOM 962 CB LYS A 61 -6.601 -8.652 8.267 1.00 0.00 C ATOM 963 CG LYS A 61 -7.714 -8.701 7.219 1.00 0.00 C ATOM 964 CD LYS A 61 -7.824 -10.096 6.600 1.00 0.00 C ATOM 965 CE LYS A 61 -8.822 -10.961 7.372 1.00 0.00 C ATOM 966 NZ LYS A 61 -10.158 -10.902 6.739 1.00 0.00 N ATOM 0 H LYS A 61 -7.465 -6.444 7.580 1.00 0.00 H new ATOM 0 HA LYS A 61 -5.170 -7.281 8.983 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -6.017 -9.572 8.226 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -7.037 -8.595 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -8.664 -8.428 7.679 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.515 -7.967 6.438 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.138 -10.012 5.560 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -6.845 -10.576 6.600 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -8.472 -11.993 7.400 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.887 -10.618 8.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -10.823 -11.495 7.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -10.497 -9.919 6.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -10.095 -11.251 5.761 1.00 0.00 H new ATOM 980 N ASP A 62 -5.030 -7.639 5.725 1.00 0.00 N ATOM 981 CA ASP A 62 -4.115 -7.850 4.615 1.00 0.00 C ATOM 982 C ASP A 62 -3.062 -6.740 4.610 1.00 0.00 C ATOM 983 O ASP A 62 -1.996 -6.892 4.016 1.00 0.00 O ATOM 984 CB ASP A 62 -4.853 -7.808 3.277 1.00 0.00 C ATOM 985 CG ASP A 62 -5.346 -9.163 2.767 1.00 0.00 C ATOM 986 OD1 ASP A 62 -4.476 -10.018 2.494 1.00 0.00 O ATOM 987 OD2 ASP A 62 -6.582 -9.314 2.661 1.00 0.00 O ATOM 0 H ASP A 62 -5.995 -7.454 5.453 1.00 0.00 H new ATOM 0 HA ASP A 62 -3.653 -8.829 4.741 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.709 -7.140 3.372 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.191 -7.374 2.528 1.00 0.00 H new ATOM 992 N LEU A 63 -3.398 -5.646 5.278 1.00 0.00 N ATOM 993 CA LEU A 63 -2.496 -4.510 5.359 1.00 0.00 C ATOM 994 C LEU A 63 -1.760 -4.543 6.699 1.00 0.00 C ATOM 995 O LEU A 63 -2.328 -4.943 7.714 1.00 0.00 O ATOM 996 CB LEU A 63 -3.252 -3.205 5.104 1.00 0.00 C ATOM 997 CG LEU A 63 -3.543 -2.873 3.638 1.00 0.00 C ATOM 998 CD1 LEU A 63 -4.135 -1.470 3.500 1.00 0.00 C ATOM 999 CD2 LEU A 63 -2.291 -3.054 2.777 1.00 0.00 C ATOM 0 H LEU A 63 -4.284 -5.522 5.769 1.00 0.00 H new ATOM 0 HA LEU A 63 -1.738 -4.569 4.578 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.199 -3.246 5.641 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.677 -2.385 5.534 1.00 0.00 H new ATOM 0 HG LEU A 63 -4.292 -3.575 3.271 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.332 -1.260 2.449 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -5.067 -1.411 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.429 -0.737 3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.524 -2.812 1.740 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.504 -2.391 3.136 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.952 -4.088 2.841 1.00 0.00 H new ATOM 1011 N PHE A 64 -0.506 -4.116 6.661 1.00 0.00 N ATOM 1012 CA PHE A 64 0.314 -4.091 7.860 1.00 0.00 C ATOM 1013 C PHE A 64 1.139 -2.804 7.935 1.00 0.00 C ATOM 1014 O PHE A 64 1.608 -2.304 6.912 1.00 0.00 O ATOM 1015 CB PHE A 64 1.263 -5.288 7.779 1.00 0.00 C ATOM 1016 CG PHE A 64 0.932 -6.412 8.762 1.00 0.00 C ATOM 1017 CD1 PHE A 64 -0.134 -7.224 8.532 1.00 0.00 C ATOM 1018 CD2 PHE A 64 1.707 -6.600 9.863 1.00 0.00 C ATOM 1019 CE1 PHE A 64 -0.441 -8.267 9.445 1.00 0.00 C ATOM 1020 CE2 PHE A 64 1.400 -7.645 10.777 1.00 0.00 C ATOM 1021 CZ PHE A 64 0.333 -8.456 10.548 1.00 0.00 C ATOM 0 H PHE A 64 -0.038 -3.784 5.818 1.00 0.00 H new ATOM 0 HA PHE A 64 -0.321 -4.135 8.745 1.00 0.00 H new ATOM 0 HB2 PHE A 64 1.241 -5.688 6.765 1.00 0.00 H new ATOM 0 HB3 PHE A 64 2.281 -4.945 7.965 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -0.747 -7.076 7.655 1.00 0.00 H new ATOM 0 HD2 PHE A 64 2.555 -5.956 10.043 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.289 -8.911 9.264 1.00 0.00 H new ATOM 0 HE2 PHE A 64 2.014 -7.794 11.653 1.00 0.00 H new ATOM 0 HZ PHE A 64 0.100 -9.250 11.242 1.00 0.00 H new ATOM 1031 N PRO A 65 1.296 -2.292 9.184 1.00 0.00 N ATOM 1032 CA PRO A 65 2.056 -1.074 9.405 1.00 0.00 C ATOM 1033 C PRO A 65 3.559 -1.336 9.286 1.00 0.00 C ATOM 1034 O PRO A 65 3.992 -2.488 9.270 1.00 0.00 O ATOM 1035 CB PRO A 65 1.643 -0.598 10.787 1.00 0.00 C ATOM 1036 CG PRO A 65 1.026 -1.804 11.477 1.00 0.00 C ATOM 1037 CD PRO A 65 0.755 -2.858 10.416 1.00 0.00 C ATOM 0 HA PRO A 65 1.850 -0.308 8.657 1.00 0.00 H new ATOM 0 HB2 PRO A 65 2.502 -0.226 11.345 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.928 0.222 10.720 1.00 0.00 H new ATOM 0 HG2 PRO A 65 1.700 -2.194 12.240 1.00 0.00 H new ATOM 0 HG3 PRO A 65 0.102 -1.524 11.982 1.00 0.00 H new ATOM 0 HD2 PRO A 65 1.239 -3.803 10.664 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -0.312 -3.061 10.323 1.00 0.00 H new ATOM 1045 N TYR A 66 4.311 -0.250 9.206 1.00 0.00 N ATOM 1046 CA TYR A 66 5.758 -0.348 9.089 1.00 0.00 C ATOM 1047 C TYR A 66 6.406 -0.534 10.463 1.00 0.00 C ATOM 1048 O TYR A 66 7.396 -1.254 10.594 1.00 0.00 O ATOM 1049 CB TYR A 66 6.223 0.981 8.494 1.00 0.00 C ATOM 1050 CG TYR A 66 7.708 1.276 8.715 1.00 0.00 C ATOM 1051 CD1 TYR A 66 8.146 1.734 9.941 1.00 0.00 C ATOM 1052 CD2 TYR A 66 8.611 1.083 7.690 1.00 0.00 C ATOM 1053 CE1 TYR A 66 9.544 2.011 10.149 1.00 0.00 C ATOM 1054 CE2 TYR A 66 10.008 1.360 7.897 1.00 0.00 C ATOM 1055 CZ TYR A 66 10.406 1.809 9.117 1.00 0.00 C ATOM 1056 OH TYR A 66 11.726 2.072 9.314 1.00 0.00 O ATOM 0 H TYR A 66 3.948 0.703 9.220 1.00 0.00 H new ATOM 0 HA TYR A 66 6.038 -1.202 8.472 1.00 0.00 H new ATOM 0 HB2 TYR A 66 6.019 0.979 7.423 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.634 1.788 8.929 1.00 0.00 H new ATOM 0 HD1 TYR A 66 7.440 1.885 10.745 1.00 0.00 H new ATOM 0 HD2 TYR A 66 8.269 0.723 6.731 1.00 0.00 H new ATOM 0 HE1 TYR A 66 9.900 2.371 11.103 1.00 0.00 H new ATOM 0 HE2 TYR A 66 10.724 1.215 7.101 1.00 0.00 H new ATOM 0 HH TYR A 66 12.224 1.881 8.492 1.00 0.00 H new ATOM 1066 N GLU A 67 5.824 0.128 11.451 1.00 0.00 N ATOM 1067 CA GLU A 67 6.334 0.045 12.809 1.00 0.00 C ATOM 1068 C GLU A 67 6.468 -1.418 13.238 1.00 0.00 C ATOM 1069 O GLU A 67 7.520 -1.832 13.724 1.00 0.00 O ATOM 1070 CB GLU A 67 5.440 0.821 13.779 1.00 0.00 C ATOM 1071 CG GLU A 67 6.207 1.971 14.432 1.00 0.00 C ATOM 1072 CD GLU A 67 6.685 1.587 15.833 1.00 0.00 C ATOM 1073 OE1 GLU A 67 5.831 1.116 16.615 1.00 0.00 O ATOM 1074 OE2 GLU A 67 7.894 1.774 16.092 1.00 0.00 O ATOM 0 H GLU A 67 5.004 0.724 11.339 1.00 0.00 H new ATOM 0 HA GLU A 67 7.323 0.502 12.833 1.00 0.00 H new ATOM 0 HB2 GLU A 67 4.574 1.213 13.246 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.062 0.148 14.549 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.063 2.239 13.813 1.00 0.00 H new ATOM 0 HG3 GLU A 67 5.568 2.852 14.491 1.00 0.00 H new ATOM 1081 N GLU A 68 5.388 -2.160 13.042 1.00 0.00 N ATOM 1082 CA GLU A 68 5.372 -3.568 13.400 1.00 0.00 C ATOM 1083 C GLU A 68 6.386 -4.342 12.558 1.00 0.00 C ATOM 1084 O GLU A 68 7.169 -5.128 13.089 1.00 0.00 O ATOM 1085 CB GLU A 68 3.968 -4.156 13.247 1.00 0.00 C ATOM 1086 CG GLU A 68 3.086 -3.791 14.443 1.00 0.00 C ATOM 1087 CD GLU A 68 2.986 -4.959 15.427 1.00 0.00 C ATOM 1088 OE1 GLU A 68 4.054 -5.515 15.757 1.00 0.00 O ATOM 1089 OE2 GLU A 68 1.842 -5.268 15.826 1.00 0.00 O ATOM 0 H GLU A 68 4.518 -1.812 12.640 1.00 0.00 H new ATOM 0 HA GLU A 68 5.656 -3.660 14.448 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.513 -3.785 12.329 1.00 0.00 H new ATOM 0 HB3 GLU A 68 4.032 -5.240 13.156 1.00 0.00 H new ATOM 0 HG2 GLU A 68 3.497 -2.918 14.950 1.00 0.00 H new ATOM 0 HG3 GLU A 68 2.090 -3.518 14.095 1.00 0.00 H new ATOM 1096 N SER A 69 6.341 -4.094 11.257 1.00 0.00 N ATOM 1097 CA SER A 69 7.246 -4.759 10.336 1.00 0.00 C ATOM 1098 C SER A 69 8.695 -4.427 10.696 1.00 0.00 C ATOM 1099 O SER A 69 9.532 -5.322 10.804 1.00 0.00 O ATOM 1100 CB SER A 69 6.954 -4.357 8.889 1.00 0.00 C ATOM 1101 OG SER A 69 7.877 -3.384 8.408 1.00 0.00 O ATOM 0 H SER A 69 5.691 -3.441 10.819 1.00 0.00 H new ATOM 0 HA SER A 69 7.093 -5.835 10.424 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.994 -5.241 8.252 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.941 -3.961 8.820 1.00 0.00 H new ATOM 0 HG SER A 69 7.657 -3.155 7.481 1.00 0.00 H new ATOM 1107 N LYS A 70 8.948 -3.139 10.873 1.00 0.00 N ATOM 1108 CA LYS A 70 10.282 -2.678 11.219 1.00 0.00 C ATOM 1109 C LYS A 70 10.606 -3.097 12.655 1.00 0.00 C ATOM 1110 O LYS A 70 11.741 -2.956 13.105 1.00 0.00 O ATOM 1111 CB LYS A 70 10.409 -1.172 10.975 1.00 0.00 C ATOM 1112 CG LYS A 70 10.021 -0.380 12.225 1.00 0.00 C ATOM 1113 CD LYS A 70 11.266 0.101 12.975 1.00 0.00 C ATOM 1114 CE LYS A 70 10.961 1.362 13.788 1.00 0.00 C ATOM 1115 NZ LYS A 70 12.115 2.289 13.757 1.00 0.00 N ATOM 0 H LYS A 70 8.251 -2.399 10.783 1.00 0.00 H new ATOM 0 HA LYS A 70 11.025 -3.146 10.574 1.00 0.00 H new ATOM 0 HB2 LYS A 70 11.433 -0.931 10.691 1.00 0.00 H new ATOM 0 HB3 LYS A 70 9.770 -0.880 10.142 1.00 0.00 H new ATOM 0 HG2 LYS A 70 9.408 0.476 11.942 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.414 -1.003 12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 70 11.623 -0.687 13.638 1.00 0.00 H new ATOM 0 HD3 LYS A 70 12.067 0.306 12.265 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.078 1.857 13.385 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.732 1.091 14.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 11.892 3.139 14.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 12.949 1.819 14.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.315 2.561 12.773 1.00 0.00 H new ATOM 1129 N GLU A 71 9.587 -3.605 13.333 1.00 0.00 N ATOM 1130 CA GLU A 71 9.748 -4.045 14.708 1.00 0.00 C ATOM 1131 C GLU A 71 10.470 -5.395 14.751 1.00 0.00 C ATOM 1132 O GLU A 71 11.401 -5.580 15.533 1.00 0.00 O ATOM 1133 CB GLU A 71 8.397 -4.123 15.422 1.00 0.00 C ATOM 1134 CG GLU A 71 8.407 -3.288 16.704 1.00 0.00 C ATOM 1135 CD GLU A 71 7.730 -4.041 17.852 1.00 0.00 C ATOM 1136 OE1 GLU A 71 6.482 -4.010 17.894 1.00 0.00 O ATOM 1137 OE2 GLU A 71 8.478 -4.632 18.662 1.00 0.00 O ATOM 0 H GLU A 71 8.647 -3.722 12.955 1.00 0.00 H new ATOM 0 HA GLU A 71 10.357 -3.311 15.235 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.609 -3.767 14.758 1.00 0.00 H new ATOM 0 HB3 GLU A 71 8.167 -5.161 15.661 1.00 0.00 H new ATOM 0 HG2 GLU A 71 9.434 -3.047 16.978 1.00 0.00 H new ATOM 0 HG3 GLU A 71 7.893 -2.343 16.531 1.00 0.00 H new ATOM 1144 N LYS A 72 10.011 -6.302 13.901 1.00 0.00 N ATOM 1145 CA LYS A 72 10.601 -7.628 13.834 1.00 0.00 C ATOM 1146 C LYS A 72 11.444 -7.742 12.563 1.00 0.00 C ATOM 1147 O LYS A 72 12.668 -7.829 12.632 1.00 0.00 O ATOM 1148 CB LYS A 72 9.517 -8.702 13.950 1.00 0.00 C ATOM 1149 CG LYS A 72 8.190 -8.207 13.371 1.00 0.00 C ATOM 1150 CD LYS A 72 7.330 -9.379 12.891 1.00 0.00 C ATOM 1151 CE LYS A 72 7.876 -9.959 11.585 1.00 0.00 C ATOM 1152 NZ LYS A 72 6.904 -10.904 10.991 1.00 0.00 N ATOM 0 H LYS A 72 9.238 -6.145 13.254 1.00 0.00 H new ATOM 0 HA LYS A 72 11.271 -7.790 14.678 1.00 0.00 H new ATOM 0 HB2 LYS A 72 9.834 -9.602 13.424 1.00 0.00 H new ATOM 0 HB3 LYS A 72 9.382 -8.976 14.996 1.00 0.00 H new ATOM 0 HG2 LYS A 72 7.648 -7.640 14.128 1.00 0.00 H new ATOM 0 HG3 LYS A 72 8.382 -7.528 12.540 1.00 0.00 H new ATOM 0 HD2 LYS A 72 7.306 -10.155 13.656 1.00 0.00 H new ATOM 0 HD3 LYS A 72 6.303 -9.045 12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 72 8.085 -9.153 10.882 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.820 -10.470 11.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 7.290 -11.288 10.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 6.725 -11.682 11.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 6.013 -10.406 10.793 1.00 0.00 H new ATOM 1166 N PHE A 73 10.756 -7.736 11.431 1.00 0.00 N ATOM 1167 CA PHE A 73 11.426 -7.837 10.145 1.00 0.00 C ATOM 1168 C PHE A 73 10.899 -6.786 9.167 1.00 0.00 C ATOM 1169 O PHE A 73 11.511 -5.735 8.988 1.00 0.00 O ATOM 1170 CB PHE A 73 11.125 -9.230 9.592 1.00 0.00 C ATOM 1171 CG PHE A 73 12.116 -10.307 10.041 1.00 0.00 C ATOM 1172 CD1 PHE A 73 12.187 -10.661 11.351 1.00 0.00 C ATOM 1173 CD2 PHE A 73 12.926 -10.907 9.129 1.00 0.00 C ATOM 1174 CE1 PHE A 73 13.106 -11.660 11.768 1.00 0.00 C ATOM 1175 CE2 PHE A 73 13.845 -11.907 9.545 1.00 0.00 C ATOM 1176 CZ PHE A 73 13.917 -12.262 10.857 1.00 0.00 C ATOM 0 H PHE A 73 9.740 -7.663 11.377 1.00 0.00 H new ATOM 0 HA PHE A 73 12.496 -7.672 10.269 1.00 0.00 H new ATOM 0 HB2 PHE A 73 10.122 -9.523 9.901 1.00 0.00 H new ATOM 0 HB3 PHE A 73 11.123 -9.184 8.503 1.00 0.00 H new ATOM 0 HD1 PHE A 73 11.544 -10.182 12.075 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.871 -10.623 8.088 1.00 0.00 H new ATOM 0 HE1 PHE A 73 13.161 -11.942 12.809 1.00 0.00 H new ATOM 0 HE2 PHE A 73 14.487 -12.386 8.820 1.00 0.00 H new ATOM 0 HZ PHE A 73 14.617 -13.021 11.174 1.00 0.00 H new ATOM 1186 N GLY A 74 9.766 -7.108 8.559 1.00 0.00 N ATOM 1187 CA GLY A 74 9.148 -6.205 7.603 1.00 0.00 C ATOM 1188 C GLY A 74 10.006 -6.069 6.343 1.00 0.00 C ATOM 1189 O GLY A 74 9.957 -5.046 5.661 1.00 0.00 O ATOM 0 H GLY A 74 9.261 -7.981 8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 74 8.158 -6.575 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.009 -5.225 8.060 1.00 0.00 H new ATOM 1193 N LYS A 75 10.774 -7.115 6.073 1.00 0.00 N ATOM 1194 CA LYS A 75 11.641 -7.124 4.907 1.00 0.00 C ATOM 1195 C LYS A 75 11.232 -8.272 3.981 1.00 0.00 C ATOM 1196 O LYS A 75 11.726 -9.390 4.120 1.00 0.00 O ATOM 1197 CB LYS A 75 13.110 -7.170 5.334 1.00 0.00 C ATOM 1198 CG LYS A 75 13.436 -8.492 6.034 1.00 0.00 C ATOM 1199 CD LYS A 75 14.229 -8.249 7.320 1.00 0.00 C ATOM 1200 CE LYS A 75 15.338 -9.290 7.485 1.00 0.00 C ATOM 1201 NZ LYS A 75 16.668 -8.646 7.410 1.00 0.00 N ATOM 0 H LYS A 75 10.814 -7.961 6.641 1.00 0.00 H new ATOM 0 HA LYS A 75 11.527 -6.201 4.339 1.00 0.00 H new ATOM 0 HB2 LYS A 75 13.750 -7.049 4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 75 13.324 -6.337 6.004 1.00 0.00 H new ATOM 0 HG2 LYS A 75 12.512 -9.022 6.266 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.010 -9.131 5.363 1.00 0.00 H new ATOM 0 HD2 LYS A 75 14.663 -7.250 7.300 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.558 -8.288 8.178 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.227 -9.799 8.442 1.00 0.00 H new ATOM 0 HE3 LYS A 75 15.251 -10.049 6.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 17.409 -9.366 7.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 16.777 -8.180 6.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 16.754 -7.938 8.167 1.00 0.00 H new ATOM 1215 N PRO A 76 10.311 -7.948 3.036 1.00 0.00 N ATOM 1216 CA PRO A 76 9.831 -8.939 2.088 1.00 0.00 C ATOM 1217 C PRO A 76 10.884 -9.228 1.016 1.00 0.00 C ATOM 1218 O PRO A 76 11.932 -8.584 0.980 1.00 0.00 O ATOM 1219 CB PRO A 76 8.550 -8.351 1.520 1.00 0.00 C ATOM 1220 CG PRO A 76 8.605 -6.863 1.820 1.00 0.00 C ATOM 1221 CD PRO A 76 9.706 -6.634 2.842 1.00 0.00 C ATOM 0 HA PRO A 76 9.638 -9.906 2.552 1.00 0.00 H new ATOM 0 HB2 PRO A 76 8.480 -8.531 0.447 1.00 0.00 H new ATOM 0 HB3 PRO A 76 7.673 -8.809 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 76 8.805 -6.297 0.910 1.00 0.00 H new ATOM 0 HG3 PRO A 76 7.647 -6.516 2.207 1.00 0.00 H new ATOM 0 HD2 PRO A 76 10.437 -5.911 2.481 1.00 0.00 H new ATOM 0 HD3 PRO A 76 9.304 -6.241 3.776 1.00 0.00 H new ATOM 1229 N ASN A 77 10.566 -10.195 0.166 1.00 0.00 N ATOM 1230 CA ASN A 77 11.472 -10.576 -0.905 1.00 0.00 C ATOM 1231 C ASN A 77 11.921 -9.321 -1.658 1.00 0.00 C ATOM 1232 O ASN A 77 11.411 -8.229 -1.412 1.00 0.00 O ATOM 1233 CB ASN A 77 10.782 -11.507 -1.904 1.00 0.00 C ATOM 1234 CG ASN A 77 10.745 -12.943 -1.380 1.00 0.00 C ATOM 1235 OD1 ASN A 77 11.640 -13.740 -1.613 1.00 0.00 O ATOM 1236 ND2 ASN A 77 9.665 -13.229 -0.661 1.00 0.00 N ATOM 0 H ASN A 77 9.695 -10.725 0.197 1.00 0.00 H new ATOM 0 HA ASN A 77 12.323 -11.092 -0.460 1.00 0.00 H new ATOM 0 HB2 ASN A 77 9.766 -11.158 -2.090 1.00 0.00 H new ATOM 0 HB3 ASN A 77 11.309 -11.478 -2.858 1.00 0.00 H new ATOM 0 HD21 ASN A 77 9.548 -14.162 -0.266 1.00 0.00 H new ATOM 0 HD22 ASN A 77 8.953 -12.515 -0.504 1.00 0.00 H new ATOM 1243 N LYS A 78 12.869 -9.521 -2.562 1.00 0.00 N ATOM 1244 CA LYS A 78 13.393 -8.420 -3.352 1.00 0.00 C ATOM 1245 C LYS A 78 13.366 -8.803 -4.833 1.00 0.00 C ATOM 1246 O LYS A 78 14.328 -9.371 -5.349 1.00 0.00 O ATOM 1247 CB LYS A 78 14.776 -8.008 -2.848 1.00 0.00 C ATOM 1248 CG LYS A 78 15.817 -9.085 -3.161 1.00 0.00 C ATOM 1249 CD LYS A 78 16.811 -8.597 -4.217 1.00 0.00 C ATOM 1250 CE LYS A 78 18.124 -9.378 -4.134 1.00 0.00 C ATOM 1251 NZ LYS A 78 18.266 -10.278 -5.300 1.00 0.00 N ATOM 0 H LYS A 78 13.288 -10.429 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 78 12.764 -7.537 -3.239 1.00 0.00 H new ATOM 0 HB2 LYS A 78 15.071 -7.067 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.738 -7.835 -1.772 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.352 -9.354 -2.250 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.317 -9.986 -3.516 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.377 -8.711 -5.211 1.00 0.00 H new ATOM 0 HD3 LYS A 78 17.006 -7.534 -4.075 1.00 0.00 H new ATOM 0 HE2 LYS A 78 18.965 -8.685 -4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 78 18.150 -9.960 -3.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 19.162 -10.801 -5.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 17.473 -10.951 -5.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.262 -9.716 -6.175 1.00 0.00 H new ATOM 1265 N ARG A 79 12.253 -8.480 -5.476 1.00 0.00 N ATOM 1266 CA ARG A 79 12.090 -8.784 -6.887 1.00 0.00 C ATOM 1267 C ARG A 79 12.312 -7.526 -7.730 1.00 0.00 C ATOM 1268 O ARG A 79 12.656 -6.472 -7.201 1.00 0.00 O ATOM 1269 CB ARG A 79 10.694 -9.342 -7.172 1.00 0.00 C ATOM 1270 CG ARG A 79 10.482 -10.680 -6.462 1.00 0.00 C ATOM 1271 CD ARG A 79 11.170 -11.817 -7.220 1.00 0.00 C ATOM 1272 NE ARG A 79 12.098 -12.537 -6.318 1.00 0.00 N ATOM 1273 CZ ARG A 79 12.652 -13.724 -6.602 1.00 0.00 C ATOM 1274 NH1 ARG A 79 12.376 -14.331 -7.764 1.00 0.00 N ATOM 1275 NH2 ARG A 79 13.482 -14.302 -5.724 1.00 0.00 N ATOM 0 H ARG A 79 11.456 -8.011 -5.046 1.00 0.00 H new ATOM 0 HA ARG A 79 12.831 -9.538 -7.152 1.00 0.00 H new ATOM 0 HB2 ARG A 79 9.939 -8.628 -6.843 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.563 -9.472 -8.246 1.00 0.00 H new ATOM 0 HG2 ARG A 79 10.876 -10.624 -5.447 1.00 0.00 H new ATOM 0 HG3 ARG A 79 9.415 -10.887 -6.379 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.424 -12.507 -7.614 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.717 -11.417 -8.074 1.00 0.00 H new ATOM 0 HE ARG A 79 12.330 -12.102 -5.425 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.744 -13.890 -8.432 1.00 0.00 H new ATOM 0 HH12 ARG A 79 12.798 -15.234 -7.980 1.00 0.00 H new ATOM 0 HH21 ARG A 79 13.692 -13.839 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 79 13.904 -15.205 -5.940 1.00 0.00 H new ATOM 1289 N LYS A 80 12.106 -7.681 -9.031 1.00 0.00 N ATOM 1290 CA LYS A 80 12.279 -6.571 -9.953 1.00 0.00 C ATOM 1291 C LYS A 80 11.166 -5.546 -9.725 1.00 0.00 C ATOM 1292 O LYS A 80 11.438 -4.372 -9.482 1.00 0.00 O ATOM 1293 CB LYS A 80 12.362 -7.079 -11.394 1.00 0.00 C ATOM 1294 CG LYS A 80 12.656 -5.933 -12.363 1.00 0.00 C ATOM 1295 CD LYS A 80 12.173 -6.271 -13.775 1.00 0.00 C ATOM 1296 CE LYS A 80 13.329 -6.771 -14.643 1.00 0.00 C ATOM 1297 NZ LYS A 80 13.984 -5.639 -15.335 1.00 0.00 N ATOM 0 H LYS A 80 11.821 -8.558 -9.467 1.00 0.00 H new ATOM 0 HA LYS A 80 13.225 -6.063 -9.764 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.143 -7.836 -11.472 1.00 0.00 H new ATOM 0 HB3 LYS A 80 11.423 -7.560 -11.668 1.00 0.00 H new ATOM 0 HG2 LYS A 80 12.166 -5.023 -12.015 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.727 -5.732 -12.380 1.00 0.00 H new ATOM 0 HD2 LYS A 80 11.395 -7.033 -13.725 1.00 0.00 H new ATOM 0 HD3 LYS A 80 11.726 -5.388 -14.232 1.00 0.00 H new ATOM 0 HE2 LYS A 80 14.056 -7.296 -14.024 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.958 -7.487 -15.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.766 -5.996 -15.920 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.291 -5.155 -15.941 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 14.355 -4.970 -14.631 1.00 0.00 H new ATOM 1311 N GLY A 81 9.935 -6.029 -9.812 1.00 0.00 N ATOM 1312 CA GLY A 81 8.779 -5.168 -9.618 1.00 0.00 C ATOM 1313 C GLY A 81 8.693 -4.682 -8.171 1.00 0.00 C ATOM 1314 O GLY A 81 7.860 -3.840 -7.843 1.00 0.00 O ATOM 0 H GLY A 81 9.713 -7.004 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 81 8.842 -4.312 -10.290 1.00 0.00 H new ATOM 0 HA3 GLY A 81 7.870 -5.710 -9.878 1.00 0.00 H new ATOM 1318 N PHE A 82 9.568 -5.234 -7.342 1.00 0.00 N ATOM 1319 CA PHE A 82 9.603 -4.866 -5.937 1.00 0.00 C ATOM 1320 C PHE A 82 10.426 -3.594 -5.722 1.00 0.00 C ATOM 1321 O PHE A 82 9.985 -2.673 -5.036 1.00 0.00 O ATOM 1322 CB PHE A 82 10.268 -6.022 -5.188 1.00 0.00 C ATOM 1323 CG PHE A 82 10.303 -5.842 -3.669 1.00 0.00 C ATOM 1324 CD1 PHE A 82 11.082 -4.874 -3.117 1.00 0.00 C ATOM 1325 CD2 PHE A 82 9.555 -6.651 -2.871 1.00 0.00 C ATOM 1326 CE1 PHE A 82 11.115 -4.707 -1.707 1.00 0.00 C ATOM 1327 CE2 PHE A 82 9.588 -6.484 -1.461 1.00 0.00 C ATOM 1328 CZ PHE A 82 10.366 -5.514 -0.910 1.00 0.00 C ATOM 0 H PHE A 82 10.258 -5.933 -7.617 1.00 0.00 H new ATOM 0 HA PHE A 82 8.592 -4.676 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 82 9.738 -6.945 -5.422 1.00 0.00 H new ATOM 0 HB3 PHE A 82 11.288 -6.139 -5.553 1.00 0.00 H new ATOM 0 HD1 PHE A 82 11.676 -4.232 -3.751 1.00 0.00 H new ATOM 0 HD2 PHE A 82 8.936 -7.420 -3.310 1.00 0.00 H new ATOM 0 HE1 PHE A 82 11.735 -3.939 -1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.996 -7.127 -0.827 1.00 0.00 H new ATOM 0 HZ PHE A 82 10.389 -5.385 0.162 1.00 0.00 H new ATOM 1338 N SER A 83 11.607 -3.584 -6.323 1.00 0.00 N ATOM 1339 CA SER A 83 12.495 -2.441 -6.206 1.00 0.00 C ATOM 1340 C SER A 83 11.855 -1.212 -6.854 1.00 0.00 C ATOM 1341 O SER A 83 11.732 -0.164 -6.221 1.00 0.00 O ATOM 1342 CB SER A 83 13.854 -2.731 -6.848 1.00 0.00 C ATOM 1343 OG SER A 83 14.927 -2.557 -5.927 1.00 0.00 O ATOM 0 H SER A 83 11.969 -4.349 -6.892 1.00 0.00 H new ATOM 0 HA SER A 83 12.658 -2.242 -5.147 1.00 0.00 H new ATOM 0 HB2 SER A 83 13.865 -3.752 -7.228 1.00 0.00 H new ATOM 0 HB3 SER A 83 13.999 -2.071 -7.703 1.00 0.00 H new ATOM 0 HG SER A 83 15.777 -2.753 -6.374 1.00 0.00 H new ATOM 1349 N GLU A 84 11.462 -1.380 -8.108 1.00 0.00 N ATOM 1350 CA GLU A 84 10.837 -0.297 -8.849 1.00 0.00 C ATOM 1351 C GLU A 84 9.517 0.104 -8.188 1.00 0.00 C ATOM 1352 O GLU A 84 9.114 1.265 -8.253 1.00 0.00 O ATOM 1353 CB GLU A 84 10.622 -0.687 -10.312 1.00 0.00 C ATOM 1354 CG GLU A 84 9.261 -1.361 -10.506 1.00 0.00 C ATOM 1355 CD GLU A 84 9.057 -1.776 -11.965 1.00 0.00 C ATOM 1356 OE1 GLU A 84 9.477 -2.905 -12.297 1.00 0.00 O ATOM 1357 OE2 GLU A 84 8.486 -0.954 -12.713 1.00 0.00 O ATOM 0 H GLU A 84 11.564 -2.250 -8.630 1.00 0.00 H new ATOM 0 HA GLU A 84 11.506 0.564 -8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.685 0.200 -10.942 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.415 -1.362 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.190 -2.237 -9.862 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.467 -0.678 -10.204 1.00 0.00 H new ATOM 1364 N GLY A 85 8.880 -0.878 -7.568 1.00 0.00 N ATOM 1365 CA GLY A 85 7.613 -0.641 -6.896 1.00 0.00 C ATOM 1366 C GLY A 85 7.793 0.299 -5.702 1.00 0.00 C ATOM 1367 O GLY A 85 7.206 1.378 -5.664 1.00 0.00 O ATOM 0 H GLY A 85 9.217 -1.839 -7.517 1.00 0.00 H new ATOM 0 HA2 GLY A 85 6.900 -0.210 -7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 85 7.194 -1.589 -6.557 1.00 0.00 H new ATOM 1371 N LEU A 86 8.608 -0.146 -4.756 1.00 0.00 N ATOM 1372 CA LEU A 86 8.872 0.641 -3.564 1.00 0.00 C ATOM 1373 C LEU A 86 9.394 2.019 -3.974 1.00 0.00 C ATOM 1374 O LEU A 86 9.206 2.998 -3.254 1.00 0.00 O ATOM 1375 CB LEU A 86 9.808 -0.114 -2.619 1.00 0.00 C ATOM 1376 CG LEU A 86 10.742 0.749 -1.769 1.00 0.00 C ATOM 1377 CD1 LEU A 86 11.784 1.451 -2.640 1.00 0.00 C ATOM 1378 CD2 LEU A 86 9.948 1.738 -0.915 1.00 0.00 C ATOM 0 H LEU A 86 9.094 -1.042 -4.792 1.00 0.00 H new ATOM 0 HA LEU A 86 7.952 0.801 -3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 86 9.201 -0.725 -1.950 1.00 0.00 H new ATOM 0 HB3 LEU A 86 10.416 -0.798 -3.211 1.00 0.00 H new ATOM 0 HG LEU A 86 11.283 0.095 -1.085 1.00 0.00 H new ATOM 0 HD11 LEU A 86 12.435 2.058 -2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.380 0.706 -3.166 1.00 0.00 H new ATOM 0 HD13 LEU A 86 11.281 2.091 -3.365 1.00 0.00 H new ATOM 0 HD21 LEU A 86 10.636 2.339 -0.320 1.00 0.00 H new ATOM 0 HD22 LEU A 86 9.363 2.390 -1.563 1.00 0.00 H new ATOM 0 HD23 LEU A 86 9.278 1.190 -0.252 1.00 0.00 H new ATOM 1390 N TRP A 87 10.038 2.051 -5.132 1.00 0.00 N ATOM 1391 CA TRP A 87 10.588 3.295 -5.648 1.00 0.00 C ATOM 1392 C TRP A 87 9.472 4.035 -6.386 1.00 0.00 C ATOM 1393 O TRP A 87 9.523 5.256 -6.533 1.00 0.00 O ATOM 1394 CB TRP A 87 11.814 3.029 -6.524 1.00 0.00 C ATOM 1395 CG TRP A 87 13.092 3.707 -6.028 1.00 0.00 C ATOM 1396 CD1 TRP A 87 13.525 4.948 -6.291 1.00 0.00 C ATOM 1397 CD2 TRP A 87 14.093 3.126 -5.166 1.00 0.00 C ATOM 1398 NE1 TRP A 87 14.727 5.207 -5.664 1.00 0.00 N ATOM 1399 CE2 TRP A 87 15.084 4.064 -4.959 1.00 0.00 C ATOM 1400 CE3 TRP A 87 14.162 1.848 -4.582 1.00 0.00 C ATOM 1401 CZ2 TRP A 87 16.212 3.826 -4.165 1.00 0.00 C ATOM 1402 CZ3 TRP A 87 15.295 1.626 -3.792 1.00 0.00 C ATOM 1403 CH2 TRP A 87 16.300 2.560 -3.573 1.00 0.00 C ATOM 0 H TRP A 87 10.191 1.237 -5.727 1.00 0.00 H new ATOM 0 HA TRP A 87 10.944 3.928 -4.835 1.00 0.00 H new ATOM 0 HB2 TRP A 87 11.983 1.954 -6.578 1.00 0.00 H new ATOM 0 HB3 TRP A 87 11.604 3.370 -7.538 1.00 0.00 H new ATOM 0 HD1 TRP A 87 13.000 5.656 -6.915 1.00 0.00 H new ATOM 0 HE1 TRP A 87 15.256 6.078 -5.710 1.00 0.00 H new ATOM 0 HE3 TRP A 87 13.400 1.097 -4.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 16.973 4.578 -4.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 15.396 0.660 -3.319 1.00 0.00 H new ATOM 0 HH2 TRP A 87 17.145 2.311 -2.949 1.00 0.00 H new ATOM 1414 N GLU A 88 8.490 3.266 -6.833 1.00 0.00 N ATOM 1415 CA GLU A 88 7.364 3.833 -7.555 1.00 0.00 C ATOM 1416 C GLU A 88 6.478 4.642 -6.604 1.00 0.00 C ATOM 1417 O GLU A 88 5.741 5.526 -7.037 1.00 0.00 O ATOM 1418 CB GLU A 88 6.559 2.742 -8.260 1.00 0.00 C ATOM 1419 CG GLU A 88 6.932 2.654 -9.741 1.00 0.00 C ATOM 1420 CD GLU A 88 6.172 3.700 -10.561 1.00 0.00 C ATOM 1421 OE1 GLU A 88 4.975 3.895 -10.259 1.00 0.00 O ATOM 1422 OE2 GLU A 88 6.805 4.278 -11.470 1.00 0.00 O ATOM 0 H GLU A 88 8.451 2.254 -6.709 1.00 0.00 H new ATOM 0 HA GLU A 88 7.750 4.505 -8.322 1.00 0.00 H new ATOM 0 HB2 GLU A 88 6.742 1.782 -7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.494 2.950 -8.162 1.00 0.00 H new ATOM 0 HG2 GLU A 88 8.005 2.804 -9.859 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.706 1.657 -10.118 1.00 0.00 H new ATOM 1429 N ILE A 89 6.578 4.308 -5.325 1.00 0.00 N ATOM 1430 CA ILE A 89 5.795 4.991 -4.310 1.00 0.00 C ATOM 1431 C ILE A 89 6.671 6.034 -3.614 1.00 0.00 C ATOM 1432 O ILE A 89 6.243 7.169 -3.402 1.00 0.00 O ATOM 1433 CB ILE A 89 5.163 3.980 -3.350 1.00 0.00 C ATOM 1434 CG1 ILE A 89 4.653 4.671 -2.084 1.00 0.00 C ATOM 1435 CG2 ILE A 89 6.137 2.845 -3.031 1.00 0.00 C ATOM 1436 CD1 ILE A 89 5.752 4.753 -1.024 1.00 0.00 C ATOM 0 H ILE A 89 7.190 3.573 -4.969 1.00 0.00 H new ATOM 0 HA ILE A 89 4.962 5.526 -4.767 1.00 0.00 H new ATOM 0 HB ILE A 89 4.299 3.534 -3.843 1.00 0.00 H new ATOM 0 HG12 ILE A 89 4.303 5.674 -2.329 1.00 0.00 H new ATOM 0 HG13 ILE A 89 3.799 4.124 -1.686 1.00 0.00 H new ATOM 0 HG21 ILE A 89 5.663 2.141 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 89 6.409 2.329 -3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 89 7.034 3.255 -2.566 1.00 0.00 H new ATOM 0 HD11 ILE A 89 5.363 5.248 -0.134 1.00 0.00 H new ATOM 0 HD12 ILE A 89 6.083 3.747 -0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 89 6.595 5.322 -1.417 1.00 0.00 H new ATOM 1448 N GLU A 90 7.881 5.615 -3.275 1.00 0.00 N ATOM 1449 CA GLU A 90 8.822 6.499 -2.607 1.00 0.00 C ATOM 1450 C GLU A 90 9.394 7.512 -3.599 1.00 0.00 C ATOM 1451 O GLU A 90 9.783 8.613 -3.214 1.00 0.00 O ATOM 1452 CB GLU A 90 9.939 5.702 -1.930 1.00 0.00 C ATOM 1453 CG GLU A 90 9.523 5.260 -0.526 1.00 0.00 C ATOM 1454 CD GLU A 90 10.748 5.012 0.356 1.00 0.00 C ATOM 1455 OE1 GLU A 90 11.780 5.665 0.090 1.00 0.00 O ATOM 1456 OE2 GLU A 90 10.626 4.175 1.277 1.00 0.00 O ATOM 0 H GLU A 90 8.232 4.674 -3.451 1.00 0.00 H new ATOM 0 HA GLU A 90 8.288 7.044 -1.829 1.00 0.00 H new ATOM 0 HB2 GLU A 90 10.184 4.828 -2.533 1.00 0.00 H new ATOM 0 HB3 GLU A 90 10.841 6.311 -1.871 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.892 6.024 -0.072 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.926 4.350 -0.589 1.00 0.00 H new ATOM 1463 N ASN A 91 9.429 7.104 -4.860 1.00 0.00 N ATOM 1464 CA ASN A 91 9.948 7.962 -5.911 1.00 0.00 C ATOM 1465 C ASN A 91 8.992 7.932 -7.106 1.00 0.00 C ATOM 1466 O ASN A 91 9.387 7.562 -8.211 1.00 0.00 O ATOM 1467 CB ASN A 91 11.319 7.481 -6.388 1.00 0.00 C ATOM 1468 CG ASN A 91 12.234 7.163 -5.203 1.00 0.00 C ATOM 1469 OD1 ASN A 91 11.752 6.236 -4.381 1.00 0.00 O flip ATOM 1470 ND2 ASN A 91 13.304 7.726 -5.045 1.00 0.00 N flip ATOM 0 H ASN A 91 9.106 6.190 -5.177 1.00 0.00 H new ATOM 0 HA ASN A 91 10.041 8.971 -5.508 1.00 0.00 H new ATOM 0 HB2 ASN A 91 11.201 6.593 -7.009 1.00 0.00 H new ATOM 0 HB3 ASN A 91 11.780 8.247 -7.012 1.00 0.00 H new ATOM 0 HD21 ASN A 91 13.614 8.429 -5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 91 13.889 7.494 -4.242 1.00 0.00 H new ATOM 1477 N ASN A 92 7.755 8.326 -6.844 1.00 0.00 N ATOM 1478 CA ASN A 92 6.741 8.348 -7.885 1.00 0.00 C ATOM 1479 C ASN A 92 7.179 9.306 -8.995 1.00 0.00 C ATOM 1480 O ASN A 92 8.018 10.177 -8.774 1.00 0.00 O ATOM 1481 CB ASN A 92 5.401 8.841 -7.336 1.00 0.00 C ATOM 1482 CG ASN A 92 5.409 10.359 -7.151 1.00 0.00 C ATOM 1483 OD1 ASN A 92 5.590 11.124 -8.085 1.00 0.00 O ATOM 1484 ND2 ASN A 92 5.205 10.752 -5.897 1.00 0.00 N ATOM 0 H ASN A 92 7.432 8.633 -5.927 1.00 0.00 H new ATOM 0 HA ASN A 92 6.624 7.333 -8.265 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.599 8.558 -8.018 1.00 0.00 H new ATOM 0 HB3 ASN A 92 5.194 8.356 -6.382 1.00 0.00 H new ATOM 0 HD21 ASN A 92 5.193 11.746 -5.670 1.00 0.00 H new ATOM 0 HD22 ASN A 92 5.060 10.059 -5.163 1.00 0.00 H new