USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 746 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 92 SER OG : rot -61:sc= 0.706 USER MOD Set 1.2: A 97 THR OG1 : rot -58:sc= -2.84! USER MOD Single : A 16 SER OG : rot 51:sc= 1.01 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -154:sc= 0.959 (180deg=0.51) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ -163:sc= 0.161 (180deg=0.0806) USER MOD Single : A 27 GLN : amide:sc= -12! C(o=-12!,f=-20!) USER MOD Single : A 28 GLN : amide:sc= -2.19 K(o=-2.2,f=-1.2) USER MOD Single : A 37 ASN : amide:sc= -2.35! X(o=-2.4!,f=-2.3) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -59:sc= -1.78 USER MOD Single : A 48 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 52 GLN : amide:sc= -0.998 K(o=-1,f=-6.8!) USER MOD Single : A 54 GLN : amide:sc= -0.5 X(o=-0.5,f=-0.49) USER MOD Single : A 56 MET CE :methyl 149:sc= -1.49 (180deg=-3.24!) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= -3.01! K(o=-3!,f=-2.4) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 75 GLN : amide:sc= -0.914 K(o=-0.91,f=-3.4!) USER MOD Single : A 78 ASN : amide:sc= -1.65 K(o=-1.7,f=-3.3!) USER MOD Single : A 82 TYR OH : rot 30:sc= 0 USER MOD Single : A 83 CYS SG : rot -79:sc= -1.68 USER MOD Single : A 86 TYR OH : rot -78:sc= 0.0167 USER MOD Single : A 88 SER OG : rot -170:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ 151:sc=-0.00306 (180deg=-0.537) USER MOD Single : A 95 SER OG : rot -43:sc= 0.236 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 83 N VAL A 9 -7.793 -1.621 -1.107 1.00 0.00 N ATOM 84 CA VAL A 9 -7.124 -0.783 -2.088 1.00 0.00 C ATOM 85 C VAL A 9 -5.830 -0.233 -1.486 1.00 0.00 C ATOM 86 O VAL A 9 -5.859 0.721 -0.709 1.00 0.00 O ATOM 87 CB VAL A 9 -8.073 0.316 -2.572 1.00 0.00 C ATOM 88 CG1 VAL A 9 -7.293 1.508 -3.130 1.00 0.00 C ATOM 89 CG2 VAL A 9 -9.058 -0.228 -3.608 1.00 0.00 C ATOM 0 HA VAL A 9 -6.850 -1.368 -2.966 1.00 0.00 H new ATOM 0 HB VAL A 9 -8.648 0.664 -1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -7.991 2.274 -3.467 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -6.651 1.919 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -6.680 1.181 -3.970 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -9.721 0.573 -3.935 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -8.507 -0.616 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -9.649 -1.029 -3.163 1.00 0.00 H new ATOM 99 N ILE A 10 -4.725 -0.857 -1.867 1.00 0.00 N ATOM 100 CA ILE A 10 -3.423 -0.442 -1.374 1.00 0.00 C ATOM 101 C ILE A 10 -3.107 0.960 -1.899 1.00 0.00 C ATOM 102 O ILE A 10 -2.286 1.118 -2.802 1.00 0.00 O ATOM 103 CB ILE A 10 -2.360 -1.484 -1.725 1.00 0.00 C ATOM 104 CG1 ILE A 10 -2.728 -2.856 -1.156 1.00 0.00 C ATOM 105 CG2 ILE A 10 -0.973 -1.028 -1.269 1.00 0.00 C ATOM 106 CD1 ILE A 10 -3.065 -2.759 0.333 1.00 0.00 C ATOM 0 H ILE A 10 -4.705 -1.647 -2.512 1.00 0.00 H new ATOM 0 HA ILE A 10 -3.429 -0.382 -0.286 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.325 -1.584 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.581 -3.262 -1.700 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -1.898 -3.548 -1.301 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.236 -1.787 -1.531 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.718 -0.090 -1.762 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.975 -0.882 -0.189 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -3.323 -3.748 0.713 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.202 -2.375 0.877 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -3.910 -2.085 0.472 1.00 0.00 H new ATOM 118 N ARG A 11 -3.775 1.942 -1.312 1.00 0.00 N ATOM 119 CA ARG A 11 -3.575 3.325 -1.709 1.00 0.00 C ATOM 120 C ARG A 11 -2.085 3.673 -1.693 1.00 0.00 C ATOM 121 O ARG A 11 -1.504 3.876 -0.628 1.00 0.00 O ATOM 122 CB ARG A 11 -4.325 4.280 -0.778 1.00 0.00 C ATOM 123 CG ARG A 11 -5.830 4.007 -0.809 1.00 0.00 C ATOM 124 CD ARG A 11 -6.588 5.012 0.062 1.00 0.00 C ATOM 125 NE ARG A 11 -8.044 4.881 -0.166 1.00 0.00 N ATOM 126 CZ ARG A 11 -8.980 5.331 0.682 1.00 0.00 C ATOM 127 NH1 ARG A 11 -8.617 5.943 1.817 1.00 0.00 N ATOM 128 NH2 ARG A 11 -10.278 5.169 0.394 1.00 0.00 N ATOM 0 H ARG A 11 -4.455 1.807 -0.564 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.967 3.439 -2.720 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -3.952 4.168 0.240 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -4.133 5.311 -1.077 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -6.192 4.064 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -6.027 2.994 -0.457 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.359 4.840 1.114 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -6.264 6.026 -0.173 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.355 4.420 -1.021 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.629 6.067 2.036 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.329 6.285 2.462 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.554 4.703 -0.470 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -10.990 5.511 1.039 1.00 0.00 H new ATOM 142 N VAL A 12 -1.511 3.730 -2.885 1.00 0.00 N ATOM 143 CA VAL A 12 -0.100 4.050 -3.021 1.00 0.00 C ATOM 144 C VAL A 12 0.052 5.532 -3.369 1.00 0.00 C ATOM 145 O VAL A 12 -0.330 5.960 -4.457 1.00 0.00 O ATOM 146 CB VAL A 12 0.550 3.124 -4.052 1.00 0.00 C ATOM 147 CG1 VAL A 12 1.943 3.625 -4.437 1.00 0.00 C ATOM 148 CG2 VAL A 12 0.607 1.685 -3.537 1.00 0.00 C ATOM 0 H VAL A 12 -1.997 3.560 -3.766 1.00 0.00 H new ATOM 0 HA VAL A 12 0.422 3.882 -2.079 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.069 3.134 -4.949 1.00 0.00 H new ATOM 0 HG11 VAL A 12 2.383 2.949 -5.171 1.00 0.00 H new ATOM 0 HG12 VAL A 12 1.865 4.624 -4.865 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.576 3.659 -3.550 1.00 0.00 H new ATOM 0 HG21 VAL A 12 1.073 1.048 -4.289 1.00 0.00 H new ATOM 0 HG22 VAL A 12 1.192 1.650 -2.618 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -0.404 1.330 -3.337 1.00 0.00 H new ATOM 158 N PHE A 13 0.610 6.275 -2.424 1.00 0.00 N ATOM 159 CA PHE A 13 0.817 7.700 -2.617 1.00 0.00 C ATOM 160 C PHE A 13 2.033 7.962 -3.508 1.00 0.00 C ATOM 161 O PHE A 13 3.096 7.377 -3.302 1.00 0.00 O ATOM 162 CB PHE A 13 1.072 8.306 -1.236 1.00 0.00 C ATOM 163 CG PHE A 13 -0.196 8.530 -0.410 1.00 0.00 C ATOM 164 CD1 PHE A 13 -1.152 7.563 -0.356 1.00 0.00 C ATOM 165 CD2 PHE A 13 -0.369 9.695 0.269 1.00 0.00 C ATOM 166 CE1 PHE A 13 -2.329 7.771 0.410 1.00 0.00 C ATOM 167 CE2 PHE A 13 -1.546 9.903 1.035 1.00 0.00 C ATOM 168 CZ PHE A 13 -2.502 8.936 1.090 1.00 0.00 C ATOM 0 H PHE A 13 0.925 5.917 -1.523 1.00 0.00 H new ATOM 0 HA PHE A 13 -0.055 8.140 -3.100 1.00 0.00 H new ATOM 0 HB2 PHE A 13 1.743 7.650 -0.681 1.00 0.00 H new ATOM 0 HB3 PHE A 13 1.586 9.259 -1.358 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -1.015 6.638 -0.896 1.00 0.00 H new ATOM 0 HD2 PHE A 13 0.389 10.463 0.226 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -3.088 7.003 0.453 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -1.683 10.829 1.574 1.00 0.00 H new ATOM 0 HZ PHE A 13 -3.397 9.094 1.673 1.00 0.00 H new ATOM 178 N ILE A 14 1.836 8.840 -4.480 1.00 0.00 N ATOM 179 CA ILE A 14 2.903 9.187 -5.403 1.00 0.00 C ATOM 180 C ILE A 14 2.942 10.705 -5.585 1.00 0.00 C ATOM 181 O ILE A 14 1.912 11.372 -5.489 1.00 0.00 O ATOM 182 CB ILE A 14 2.748 8.414 -6.715 1.00 0.00 C ATOM 183 CG1 ILE A 14 1.432 8.770 -7.409 1.00 0.00 C ATOM 184 CG2 ILE A 14 2.886 6.908 -6.484 1.00 0.00 C ATOM 185 CD1 ILE A 14 1.687 9.396 -8.781 1.00 0.00 C ATOM 0 H ILE A 14 0.953 9.322 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 14 3.870 8.890 -4.996 1.00 0.00 H new ATOM 0 HB ILE A 14 3.555 8.712 -7.384 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.822 7.873 -7.522 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.866 9.464 -6.788 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.772 6.382 -7.432 1.00 0.00 H new ATOM 0 HG22 ILE A 14 3.869 6.693 -6.066 1.00 0.00 H new ATOM 0 HG23 ILE A 14 2.115 6.574 -5.789 1.00 0.00 H new ATOM 0 HD11 ILE A 14 0.735 9.639 -9.253 1.00 0.00 H new ATOM 0 HD12 ILE A 14 2.276 10.305 -8.662 1.00 0.00 H new ATOM 0 HD13 ILE A 14 2.232 8.690 -9.407 1.00 0.00 H new ATOM 197 N ALA A 15 4.140 11.208 -5.843 1.00 0.00 N ATOM 198 CA ALA A 15 4.326 12.636 -6.039 1.00 0.00 C ATOM 199 C ALA A 15 5.027 12.876 -7.378 1.00 0.00 C ATOM 200 O ALA A 15 6.227 13.142 -7.415 1.00 0.00 O ATOM 201 CB ALA A 15 5.109 13.215 -4.859 1.00 0.00 C ATOM 0 H ALA A 15 4.992 10.652 -5.921 1.00 0.00 H new ATOM 0 HA ALA A 15 3.364 13.147 -6.075 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.249 14.286 -5.006 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.555 13.044 -3.936 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.082 12.728 -4.794 1.00 0.00 H new ATOM 207 N SER A 16 4.247 12.772 -8.444 1.00 0.00 N ATOM 208 CA SER A 16 4.778 12.974 -9.781 1.00 0.00 C ATOM 209 C SER A 16 5.225 14.428 -9.953 1.00 0.00 C ATOM 210 O SER A 16 4.564 15.207 -10.637 1.00 0.00 O ATOM 211 CB SER A 16 3.743 12.609 -10.846 1.00 0.00 C ATOM 212 OG SER A 16 2.622 13.489 -10.826 1.00 0.00 O ATOM 0 H SER A 16 3.252 12.551 -8.409 1.00 0.00 H new ATOM 0 HA SER A 16 5.639 12.318 -9.909 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.210 12.639 -11.830 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.403 11.586 -10.686 1.00 0.00 H new ATOM 0 HG SER A 16 2.935 14.418 -10.846 1.00 0.00 H new ATOM 218 N SER A 17 6.344 14.748 -9.319 1.00 0.00 N ATOM 219 CA SER A 17 6.887 16.094 -9.393 1.00 0.00 C ATOM 220 C SER A 17 8.216 16.164 -8.638 1.00 0.00 C ATOM 221 O SER A 17 9.163 16.799 -9.099 1.00 0.00 O ATOM 222 CB SER A 17 5.900 17.117 -8.828 1.00 0.00 C ATOM 223 OG SER A 17 6.532 18.360 -8.532 1.00 0.00 O ATOM 0 H SER A 17 6.889 14.099 -8.752 1.00 0.00 H new ATOM 0 HA SER A 17 7.059 16.337 -10.442 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.096 17.281 -9.546 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.442 16.718 -7.923 1.00 0.00 H new ATOM 0 HG SER A 17 5.869 18.987 -8.175 1.00 0.00 H new ATOM 229 N SER A 18 8.244 15.502 -7.491 1.00 0.00 N ATOM 230 CA SER A 18 9.441 15.482 -6.668 1.00 0.00 C ATOM 231 C SER A 18 10.683 15.366 -7.554 1.00 0.00 C ATOM 232 O SER A 18 10.650 14.707 -8.592 1.00 0.00 O ATOM 233 CB SER A 18 9.398 14.330 -5.661 1.00 0.00 C ATOM 234 OG SER A 18 10.503 14.365 -4.762 1.00 0.00 O ATOM 0 H SER A 18 7.457 14.975 -7.112 1.00 0.00 H new ATOM 0 HA SER A 18 9.487 16.416 -6.109 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.468 14.378 -5.094 1.00 0.00 H new ATOM 0 HB3 SER A 18 9.396 13.380 -6.196 1.00 0.00 H new ATOM 0 HG SER A 18 10.438 13.615 -4.135 1.00 0.00 H new ATOM 240 N GLY A 19 11.749 16.017 -7.111 1.00 0.00 N ATOM 241 CA GLY A 19 13.000 15.995 -7.851 1.00 0.00 C ATOM 242 C GLY A 19 13.863 14.803 -7.433 1.00 0.00 C ATOM 243 O GLY A 19 15.061 14.952 -7.198 1.00 0.00 O ATOM 0 H GLY A 19 11.772 16.563 -6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 19 12.794 15.942 -8.920 1.00 0.00 H new ATOM 0 HA3 GLY A 19 13.546 16.922 -7.677 1.00 0.00 H new ATOM 247 N PHE A 20 13.221 13.647 -7.353 1.00 0.00 N ATOM 248 CA PHE A 20 13.916 12.430 -6.968 1.00 0.00 C ATOM 249 C PHE A 20 13.459 11.245 -7.820 1.00 0.00 C ATOM 250 O PHE A 20 12.582 10.484 -7.413 1.00 0.00 O ATOM 251 CB PHE A 20 13.562 12.158 -5.505 1.00 0.00 C ATOM 252 CG PHE A 20 14.439 12.910 -4.502 1.00 0.00 C ATOM 253 CD1 PHE A 20 14.341 14.262 -4.392 1.00 0.00 C ATOM 254 CD2 PHE A 20 15.317 12.226 -3.720 1.00 0.00 C ATOM 255 CE1 PHE A 20 15.155 14.960 -3.461 1.00 0.00 C ATOM 256 CE2 PHE A 20 16.131 12.924 -2.789 1.00 0.00 C ATOM 257 CZ PHE A 20 16.033 14.276 -2.679 1.00 0.00 C ATOM 0 H PHE A 20 12.227 13.527 -7.548 1.00 0.00 H new ATOM 0 HA PHE A 20 14.990 12.553 -7.111 1.00 0.00 H new ATOM 0 HB2 PHE A 20 12.520 12.431 -5.337 1.00 0.00 H new ATOM 0 HB3 PHE A 20 13.646 11.088 -5.315 1.00 0.00 H new ATOM 0 HD1 PHE A 20 13.644 14.805 -5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 20 15.395 11.152 -3.807 1.00 0.00 H new ATOM 0 HE1 PHE A 20 15.077 16.034 -3.374 1.00 0.00 H new ATOM 0 HE2 PHE A 20 16.828 12.381 -2.168 1.00 0.00 H new ATOM 0 HZ PHE A 20 16.652 14.807 -1.971 1.00 0.00 H new ATOM 267 N VAL A 21 14.073 11.125 -8.988 1.00 0.00 N ATOM 268 CA VAL A 21 13.740 10.045 -9.902 1.00 0.00 C ATOM 269 C VAL A 21 13.802 8.713 -9.153 1.00 0.00 C ATOM 270 O VAL A 21 13.049 7.789 -9.459 1.00 0.00 O ATOM 271 CB VAL A 21 14.662 10.089 -11.122 1.00 0.00 C ATOM 272 CG1 VAL A 21 16.021 9.463 -10.804 1.00 0.00 C ATOM 273 CG2 VAL A 21 14.011 9.405 -12.326 1.00 0.00 C ATOM 0 H VAL A 21 14.799 11.758 -9.323 1.00 0.00 H new ATOM 0 HA VAL A 21 12.723 10.161 -10.276 1.00 0.00 H new ATOM 0 HB VAL A 21 14.827 11.135 -11.380 1.00 0.00 H new ATOM 0 HG11 VAL A 21 16.658 9.507 -11.688 1.00 0.00 H new ATOM 0 HG12 VAL A 21 16.493 10.012 -9.989 1.00 0.00 H new ATOM 0 HG13 VAL A 21 15.882 8.423 -10.508 1.00 0.00 H new ATOM 0 HG21 VAL A 21 14.687 9.450 -13.180 1.00 0.00 H new ATOM 0 HG22 VAL A 21 13.802 8.363 -12.083 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.079 9.914 -12.574 1.00 0.00 H new ATOM 283 N ALA A 22 14.705 8.655 -8.185 1.00 0.00 N ATOM 284 CA ALA A 22 14.875 7.451 -7.390 1.00 0.00 C ATOM 285 C ALA A 22 13.535 7.068 -6.759 1.00 0.00 C ATOM 286 O ALA A 22 13.221 5.886 -6.629 1.00 0.00 O ATOM 287 CB ALA A 22 15.968 7.679 -6.344 1.00 0.00 C ATOM 0 H ALA A 22 15.327 9.423 -7.933 1.00 0.00 H new ATOM 0 HA ALA A 22 15.194 6.619 -8.018 1.00 0.00 H new ATOM 0 HB1 ALA A 22 16.095 6.775 -5.748 1.00 0.00 H new ATOM 0 HB2 ALA A 22 16.906 7.919 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.682 8.506 -5.694 1.00 0.00 H new ATOM 293 N ILE A 23 12.780 8.091 -6.385 1.00 0.00 N ATOM 294 CA ILE A 23 11.481 7.877 -5.771 1.00 0.00 C ATOM 295 C ILE A 23 10.518 7.300 -6.811 1.00 0.00 C ATOM 296 O ILE A 23 9.691 6.447 -6.492 1.00 0.00 O ATOM 297 CB ILE A 23 10.978 9.165 -5.116 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.841 9.539 -3.909 1.00 0.00 C ATOM 299 CG2 ILE A 23 9.497 9.053 -4.750 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.512 10.950 -3.416 1.00 0.00 C ATOM 0 H ILE A 23 13.043 9.070 -6.496 1.00 0.00 H new ATOM 0 HA ILE A 23 11.557 7.146 -4.966 1.00 0.00 H new ATOM 0 HB ILE A 23 11.069 9.975 -5.840 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.678 8.822 -3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 23 12.895 9.481 -4.179 1.00 0.00 H new ATOM 0 HG21 ILE A 23 9.166 9.982 -4.286 1.00 0.00 H new ATOM 0 HG22 ILE A 23 8.912 8.869 -5.651 1.00 0.00 H new ATOM 0 HG23 ILE A 23 9.356 8.228 -4.051 1.00 0.00 H new ATOM 0 HD11 ILE A 23 12.139 11.191 -2.558 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.699 11.667 -4.215 1.00 0.00 H new ATOM 0 HD13 ILE A 23 10.463 10.998 -3.124 1.00 0.00 H new ATOM 312 N LYS A 24 10.658 7.788 -8.035 1.00 0.00 N ATOM 313 CA LYS A 24 9.812 7.332 -9.124 1.00 0.00 C ATOM 314 C LYS A 24 9.945 5.814 -9.266 1.00 0.00 C ATOM 315 O LYS A 24 8.974 5.082 -9.079 1.00 0.00 O ATOM 316 CB LYS A 24 10.131 8.100 -10.408 1.00 0.00 C ATOM 317 CG LYS A 24 9.218 9.319 -10.558 1.00 0.00 C ATOM 318 CD LYS A 24 9.228 10.171 -9.288 1.00 0.00 C ATOM 319 CE LYS A 24 9.258 11.663 -9.628 1.00 0.00 C ATOM 320 NZ LYS A 24 10.537 12.268 -9.195 1.00 0.00 N ATOM 0 H LYS A 24 11.345 8.495 -8.296 1.00 0.00 H new ATOM 0 HA LYS A 24 8.765 7.542 -8.906 1.00 0.00 H new ATOM 0 HB2 LYS A 24 11.173 8.421 -10.395 1.00 0.00 H new ATOM 0 HB3 LYS A 24 10.010 7.442 -11.269 1.00 0.00 H new ATOM 0 HG2 LYS A 24 9.545 9.920 -11.406 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.201 8.992 -10.773 1.00 0.00 H new ATOM 0 HD2 LYS A 24 8.344 9.949 -8.690 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.097 9.915 -8.681 1.00 0.00 H new ATOM 0 HE2 LYS A 24 9.129 11.800 -10.702 1.00 0.00 H new ATOM 0 HE3 LYS A 24 8.426 12.170 -9.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.398 13.283 -9.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.863 11.804 -8.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.250 12.143 -9.941 1.00 0.00 H new ATOM 334 N LYS A 25 11.155 5.387 -9.597 1.00 0.00 N ATOM 335 CA LYS A 25 11.427 3.970 -9.766 1.00 0.00 C ATOM 336 C LYS A 25 10.685 3.179 -8.687 1.00 0.00 C ATOM 337 O LYS A 25 9.933 2.256 -8.995 1.00 0.00 O ATOM 338 CB LYS A 25 12.935 3.713 -9.789 1.00 0.00 C ATOM 339 CG LYS A 25 13.557 4.212 -11.095 1.00 0.00 C ATOM 340 CD LYS A 25 14.476 3.152 -11.705 1.00 0.00 C ATOM 341 CE LYS A 25 15.834 3.751 -12.076 1.00 0.00 C ATOM 342 NZ LYS A 25 16.196 3.394 -13.465 1.00 0.00 N ATOM 0 H LYS A 25 11.957 5.997 -9.753 1.00 0.00 H new ATOM 0 HA LYS A 25 11.053 3.623 -10.729 1.00 0.00 H new ATOM 0 HB2 LYS A 25 13.406 4.214 -8.943 1.00 0.00 H new ATOM 0 HB3 LYS A 25 13.127 2.646 -9.675 1.00 0.00 H new ATOM 0 HG2 LYS A 25 12.769 4.466 -11.804 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.123 5.124 -10.907 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.616 2.336 -10.996 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.007 2.727 -12.593 1.00 0.00 H new ATOM 0 HE2 LYS A 25 15.801 4.835 -11.970 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.598 3.387 -11.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 17.120 3.809 -13.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.248 2.359 -13.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.475 3.763 -14.117 1.00 0.00 H new ATOM 356 N LYS A 26 10.923 3.571 -7.443 1.00 0.00 N ATOM 357 CA LYS A 26 10.286 2.910 -6.316 1.00 0.00 C ATOM 358 C LYS A 26 8.775 2.858 -6.548 1.00 0.00 C ATOM 359 O LYS A 26 8.171 1.788 -6.493 1.00 0.00 O ATOM 360 CB LYS A 26 10.683 3.589 -5.004 1.00 0.00 C ATOM 361 CG LYS A 26 12.191 3.482 -4.765 1.00 0.00 C ATOM 362 CD LYS A 26 12.638 4.424 -3.646 1.00 0.00 C ATOM 363 CE LYS A 26 14.070 4.114 -3.207 1.00 0.00 C ATOM 364 NZ LYS A 26 14.247 4.412 -1.768 1.00 0.00 N ATOM 0 H LYS A 26 11.547 4.337 -7.191 1.00 0.00 H new ATOM 0 HA LYS A 26 10.632 1.880 -6.233 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.389 4.638 -5.030 1.00 0.00 H new ATOM 0 HB3 LYS A 26 10.146 3.128 -4.175 1.00 0.00 H new ATOM 0 HG2 LYS A 26 12.450 2.455 -4.506 1.00 0.00 H new ATOM 0 HG3 LYS A 26 12.726 3.723 -5.683 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.574 5.457 -3.988 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.964 4.328 -2.795 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.296 3.065 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 26 14.773 4.704 -3.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 15.262 4.477 -1.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.786 5.316 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 13.818 3.653 -1.201 1.00 0.00 H new ATOM 378 N GLN A 27 8.206 4.027 -6.803 1.00 0.00 N ATOM 379 CA GLN A 27 6.777 4.128 -7.044 1.00 0.00 C ATOM 380 C GLN A 27 6.332 3.063 -8.048 1.00 0.00 C ATOM 381 O GLN A 27 5.295 2.427 -7.865 1.00 0.00 O ATOM 382 CB GLN A 27 6.400 5.530 -7.528 1.00 0.00 C ATOM 383 CG GLN A 27 6.697 6.579 -6.455 1.00 0.00 C ATOM 384 CD GLN A 27 7.065 7.922 -7.089 1.00 0.00 C ATOM 385 OE1 GLN A 27 8.144 8.456 -6.893 1.00 0.00 O ATOM 386 NE2 GLN A 27 6.110 8.437 -7.858 1.00 0.00 N ATOM 0 H GLN A 27 8.709 4.913 -6.848 1.00 0.00 H new ATOM 0 HA GLN A 27 6.256 3.952 -6.103 1.00 0.00 H new ATOM 0 HB2 GLN A 27 6.955 5.766 -8.436 1.00 0.00 H new ATOM 0 HB3 GLN A 27 5.341 5.557 -7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.826 6.703 -5.811 1.00 0.00 H new ATOM 0 HG3 GLN A 27 7.515 6.235 -5.822 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.229 7.938 -7.980 1.00 0.00 H new ATOM 0 HE22 GLN A 27 6.259 9.331 -8.326 1.00 0.00 H new ATOM 395 N GLN A 28 7.137 2.901 -9.087 1.00 0.00 N ATOM 396 CA GLN A 28 6.839 1.924 -10.121 1.00 0.00 C ATOM 397 C GLN A 28 6.952 0.506 -9.558 1.00 0.00 C ATOM 398 O GLN A 28 5.967 -0.229 -9.515 1.00 0.00 O ATOM 399 CB GLN A 28 7.756 2.108 -11.331 1.00 0.00 C ATOM 400 CG GLN A 28 7.770 3.568 -11.791 1.00 0.00 C ATOM 401 CD GLN A 28 9.123 3.937 -12.403 1.00 0.00 C ATOM 402 OE1 GLN A 28 9.787 3.133 -13.037 1.00 0.00 O ATOM 403 NE2 GLN A 28 9.493 5.194 -12.178 1.00 0.00 N ATOM 0 H GLN A 28 7.996 3.430 -9.236 1.00 0.00 H new ATOM 0 HA GLN A 28 5.814 2.081 -10.457 1.00 0.00 H new ATOM 0 HB2 GLN A 28 8.768 1.793 -11.076 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.420 1.469 -12.147 1.00 0.00 H new ATOM 0 HG2 GLN A 28 6.979 3.730 -12.524 1.00 0.00 H new ATOM 0 HG3 GLN A 28 7.559 4.222 -10.945 1.00 0.00 H new ATOM 0 HE21 GLN A 28 8.889 5.815 -11.639 1.00 0.00 H new ATOM 0 HE22 GLN A 28 10.381 5.538 -12.544 1.00 0.00 H new ATOM 412 N ASP A 29 8.162 0.163 -9.141 1.00 0.00 N ATOM 413 CA ASP A 29 8.417 -1.154 -8.583 1.00 0.00 C ATOM 414 C ASP A 29 7.226 -1.576 -7.720 1.00 0.00 C ATOM 415 O ASP A 29 6.918 -2.763 -7.619 1.00 0.00 O ATOM 416 CB ASP A 29 9.664 -1.145 -7.697 1.00 0.00 C ATOM 417 CG ASP A 29 10.767 -2.115 -8.123 1.00 0.00 C ATOM 418 OD1 ASP A 29 10.607 -2.716 -9.207 1.00 0.00 O ATOM 419 OD2 ASP A 29 11.746 -2.234 -7.355 1.00 0.00 O ATOM 0 H ASP A 29 8.977 0.775 -9.179 1.00 0.00 H new ATOM 0 HA ASP A 29 8.568 -1.848 -9.410 1.00 0.00 H new ATOM 0 HB2 ASP A 29 10.074 -0.135 -7.683 1.00 0.00 H new ATOM 0 HB3 ASP A 29 9.367 -1.382 -6.675 1.00 0.00 H new ATOM 424 N VAL A 30 6.589 -0.582 -7.119 1.00 0.00 N ATOM 425 CA VAL A 30 5.439 -0.835 -6.268 1.00 0.00 C ATOM 426 C VAL A 30 4.238 -1.210 -7.139 1.00 0.00 C ATOM 427 O VAL A 30 4.006 -2.387 -7.409 1.00 0.00 O ATOM 428 CB VAL A 30 5.173 0.377 -5.373 1.00 0.00 C ATOM 429 CG1 VAL A 30 3.812 0.261 -4.684 1.00 0.00 C ATOM 430 CG2 VAL A 30 6.294 0.557 -4.347 1.00 0.00 C ATOM 0 H VAL A 30 6.848 0.401 -7.205 1.00 0.00 H new ATOM 0 HA VAL A 30 5.634 -1.676 -5.603 1.00 0.00 H new ATOM 0 HB VAL A 30 5.153 1.264 -6.006 1.00 0.00 H new ATOM 0 HG11 VAL A 30 3.648 1.135 -4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 30 3.026 0.204 -5.437 1.00 0.00 H new ATOM 0 HG13 VAL A 30 3.791 -0.639 -4.069 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.081 1.425 -3.723 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.360 -0.332 -3.720 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.241 0.707 -4.865 1.00 0.00 H new ATOM 440 N VAL A 31 3.506 -0.187 -7.554 1.00 0.00 N ATOM 441 CA VAL A 31 2.335 -0.394 -8.389 1.00 0.00 C ATOM 442 C VAL A 31 2.625 -1.505 -9.400 1.00 0.00 C ATOM 443 O VAL A 31 1.848 -2.449 -9.530 1.00 0.00 O ATOM 444 CB VAL A 31 1.924 0.924 -9.049 1.00 0.00 C ATOM 445 CG1 VAL A 31 3.131 1.846 -9.233 1.00 0.00 C ATOM 446 CG2 VAL A 31 1.219 0.671 -10.384 1.00 0.00 C ATOM 0 H VAL A 31 3.701 0.788 -7.328 1.00 0.00 H new ATOM 0 HA VAL A 31 1.487 -0.718 -7.785 1.00 0.00 H new ATOM 0 HB VAL A 31 1.219 1.425 -8.386 1.00 0.00 H new ATOM 0 HG11 VAL A 31 2.811 2.775 -9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.573 2.065 -8.261 1.00 0.00 H new ATOM 0 HG13 VAL A 31 3.871 1.355 -9.865 1.00 0.00 H new ATOM 0 HG21 VAL A 31 0.937 1.623 -10.833 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.892 0.138 -11.056 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.325 0.071 -10.215 1.00 0.00 H new ATOM 456 N ARG A 32 3.746 -1.354 -10.091 1.00 0.00 N ATOM 457 CA ARG A 32 4.148 -2.333 -11.087 1.00 0.00 C ATOM 458 C ARG A 32 3.813 -3.747 -10.607 1.00 0.00 C ATOM 459 O ARG A 32 3.125 -4.495 -11.301 1.00 0.00 O ATOM 460 CB ARG A 32 5.648 -2.242 -11.375 1.00 0.00 C ATOM 461 CG ARG A 32 5.983 -0.958 -12.136 1.00 0.00 C ATOM 462 CD ARG A 32 6.180 -1.240 -13.627 1.00 0.00 C ATOM 463 NE ARG A 32 6.345 0.032 -14.366 1.00 0.00 N ATOM 464 CZ ARG A 32 6.900 0.128 -15.581 1.00 0.00 C ATOM 465 NH1 ARG A 32 7.348 -0.972 -16.203 1.00 0.00 N ATOM 466 NH2 ARG A 32 7.009 1.324 -16.176 1.00 0.00 N ATOM 0 H ARG A 32 4.388 -0.569 -9.981 1.00 0.00 H new ATOM 0 HA ARG A 32 3.600 -2.117 -12.004 1.00 0.00 H new ATOM 0 HB2 ARG A 32 6.204 -2.269 -10.438 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.963 -3.107 -11.958 1.00 0.00 H new ATOM 0 HG2 ARG A 32 5.181 -0.232 -12.002 1.00 0.00 H new ATOM 0 HG3 ARG A 32 6.888 -0.512 -11.724 1.00 0.00 H new ATOM 0 HD2 ARG A 32 7.056 -1.871 -13.773 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.323 -1.789 -14.018 1.00 0.00 H new ATOM 0 HE ARG A 32 6.015 0.889 -13.922 1.00 0.00 H new ATOM 0 HH11 ARG A 32 7.266 -1.883 -15.751 1.00 0.00 H new ATOM 0 HH12 ARG A 32 7.771 -0.898 -17.128 1.00 0.00 H new ATOM 0 HH21 ARG A 32 6.669 2.162 -15.703 1.00 0.00 H new ATOM 0 HH22 ARG A 32 7.432 1.397 -17.101 1.00 0.00 H new ATOM 480 N PHE A 33 4.314 -4.070 -9.424 1.00 0.00 N ATOM 481 CA PHE A 33 4.076 -5.381 -8.844 1.00 0.00 C ATOM 482 C PHE A 33 2.579 -5.632 -8.651 1.00 0.00 C ATOM 483 O PHE A 33 2.079 -6.707 -8.977 1.00 0.00 O ATOM 484 CB PHE A 33 4.764 -5.396 -7.478 1.00 0.00 C ATOM 485 CG PHE A 33 4.733 -6.758 -6.780 1.00 0.00 C ATOM 486 CD1 PHE A 33 3.562 -7.242 -6.287 1.00 0.00 C ATOM 487 CD2 PHE A 33 5.876 -7.484 -6.654 1.00 0.00 C ATOM 488 CE1 PHE A 33 3.532 -8.506 -5.640 1.00 0.00 C ATOM 489 CE2 PHE A 33 5.847 -8.748 -6.007 1.00 0.00 C ATOM 490 CZ PHE A 33 4.675 -9.232 -5.513 1.00 0.00 C ATOM 0 H PHE A 33 4.884 -3.447 -8.851 1.00 0.00 H new ATOM 0 HA PHE A 33 4.464 -6.156 -9.504 1.00 0.00 H new ATOM 0 HB2 PHE A 33 5.802 -5.086 -7.602 1.00 0.00 H new ATOM 0 HB3 PHE A 33 4.286 -4.658 -6.834 1.00 0.00 H new ATOM 0 HD1 PHE A 33 2.654 -6.665 -6.387 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.806 -7.099 -7.046 1.00 0.00 H new ATOM 0 HE1 PHE A 33 2.602 -8.891 -5.249 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.755 -9.325 -5.907 1.00 0.00 H new ATOM 0 HZ PHE A 33 4.653 -10.193 -5.020 1.00 0.00 H new ATOM 500 N LEU A 34 1.906 -4.621 -8.121 1.00 0.00 N ATOM 501 CA LEU A 34 0.476 -4.718 -7.881 1.00 0.00 C ATOM 502 C LEU A 34 -0.248 -4.925 -9.212 1.00 0.00 C ATOM 503 O LEU A 34 -1.121 -5.785 -9.322 1.00 0.00 O ATOM 504 CB LEU A 34 -0.019 -3.503 -7.094 1.00 0.00 C ATOM 505 CG LEU A 34 0.772 -3.154 -5.831 1.00 0.00 C ATOM 506 CD1 LEU A 34 0.615 -1.674 -5.478 1.00 0.00 C ATOM 507 CD2 LEU A 34 0.377 -4.066 -4.668 1.00 0.00 C ATOM 0 H LEU A 34 2.324 -3.731 -7.851 1.00 0.00 H new ATOM 0 HA LEU A 34 0.253 -5.585 -7.259 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.009 -2.637 -7.756 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.058 -3.676 -6.812 1.00 0.00 H new ATOM 0 HG LEU A 34 1.830 -3.327 -6.031 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.187 -1.452 -4.577 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.984 -1.062 -6.301 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.438 -1.451 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.953 -3.797 -3.783 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.686 -3.948 -4.458 1.00 0.00 H new ATOM 0 HD23 LEU A 34 0.582 -5.103 -4.933 1.00 0.00 H new ATOM 519 N GLU A 35 0.142 -4.122 -10.192 1.00 0.00 N ATOM 520 CA GLU A 35 -0.459 -4.207 -11.512 1.00 0.00 C ATOM 521 C GLU A 35 -0.184 -5.577 -12.134 1.00 0.00 C ATOM 522 O GLU A 35 -1.098 -6.230 -12.635 1.00 0.00 O ATOM 523 CB GLU A 35 0.046 -3.082 -12.418 1.00 0.00 C ATOM 524 CG GLU A 35 -0.620 -1.751 -12.063 1.00 0.00 C ATOM 525 CD GLU A 35 -2.066 -1.712 -12.562 1.00 0.00 C ATOM 526 OE1 GLU A 35 -2.893 -2.433 -11.963 1.00 0.00 O ATOM 527 OE2 GLU A 35 -2.312 -0.962 -13.532 1.00 0.00 O ATOM 0 H GLU A 35 0.866 -3.410 -10.098 1.00 0.00 H new ATOM 0 HA GLU A 35 -1.537 -4.088 -11.407 1.00 0.00 H new ATOM 0 HB2 GLU A 35 1.128 -2.989 -12.320 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.159 -3.329 -13.460 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.600 -1.607 -10.983 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -0.057 -0.929 -12.505 1.00 0.00 H new ATOM 534 N ALA A 36 1.079 -5.972 -12.082 1.00 0.00 N ATOM 535 CA ALA A 36 1.486 -7.253 -12.634 1.00 0.00 C ATOM 536 C ALA A 36 0.802 -8.379 -11.857 1.00 0.00 C ATOM 537 O ALA A 36 0.599 -9.470 -12.387 1.00 0.00 O ATOM 538 CB ALA A 36 3.012 -7.364 -12.597 1.00 0.00 C ATOM 0 H ALA A 36 1.835 -5.427 -11.666 1.00 0.00 H new ATOM 0 HA ALA A 36 1.178 -7.336 -13.676 1.00 0.00 H new ATOM 0 HB1 ALA A 36 3.317 -8.325 -13.011 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.450 -6.559 -13.187 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.358 -7.287 -11.566 1.00 0.00 H new ATOM 544 N ASN A 37 0.465 -8.076 -10.612 1.00 0.00 N ATOM 545 CA ASN A 37 -0.193 -9.049 -9.756 1.00 0.00 C ATOM 546 C ASN A 37 -1.675 -8.692 -9.630 1.00 0.00 C ATOM 547 O ASN A 37 -2.383 -9.251 -8.794 1.00 0.00 O ATOM 548 CB ASN A 37 0.414 -9.048 -8.352 1.00 0.00 C ATOM 549 CG ASN A 37 1.740 -9.811 -8.327 1.00 0.00 C ATOM 550 OD1 ASN A 37 1.784 -11.028 -8.245 1.00 0.00 O ATOM 551 ND2 ASN A 37 2.815 -9.031 -8.403 1.00 0.00 N ATOM 0 H ASN A 37 0.635 -7.170 -10.175 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.063 -10.034 -10.204 1.00 0.00 H new ATOM 0 HB2 ASN A 37 0.575 -8.022 -8.022 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -0.285 -9.503 -7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 37 3.747 -9.445 -8.395 1.00 0.00 H new ATOM 0 HD22 ASN A 37 2.707 -8.019 -8.470 1.00 0.00 H new ATOM 558 N LYS A 38 -2.101 -7.763 -10.474 1.00 0.00 N ATOM 559 CA LYS A 38 -3.486 -7.325 -10.467 1.00 0.00 C ATOM 560 C LYS A 38 -3.983 -7.238 -9.023 1.00 0.00 C ATOM 561 O LYS A 38 -5.011 -7.820 -8.680 1.00 0.00 O ATOM 562 CB LYS A 38 -4.339 -8.231 -11.358 1.00 0.00 C ATOM 563 CG LYS A 38 -3.950 -8.077 -12.829 1.00 0.00 C ATOM 564 CD LYS A 38 -4.672 -6.887 -13.466 1.00 0.00 C ATOM 565 CE LYS A 38 -5.359 -7.296 -14.770 1.00 0.00 C ATOM 566 NZ LYS A 38 -6.629 -6.555 -14.941 1.00 0.00 N ATOM 0 H LYS A 38 -1.511 -7.302 -11.167 1.00 0.00 H new ATOM 0 HA LYS A 38 -3.571 -6.326 -10.894 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -4.214 -9.270 -11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -5.393 -7.985 -11.229 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.872 -7.939 -12.911 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -4.197 -8.990 -13.372 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.411 -6.491 -12.770 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.958 -6.087 -13.662 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.698 -7.097 -15.614 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.555 -8.368 -14.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.083 -6.844 -15.831 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.264 -6.765 -14.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.434 -5.534 -14.968 1.00 0.00 H new ATOM 580 N ILE A 39 -3.229 -6.508 -8.214 1.00 0.00 N ATOM 581 CA ILE A 39 -3.580 -6.338 -6.814 1.00 0.00 C ATOM 582 C ILE A 39 -4.341 -5.022 -6.640 1.00 0.00 C ATOM 583 O ILE A 39 -4.195 -4.105 -7.446 1.00 0.00 O ATOM 584 CB ILE A 39 -2.334 -6.449 -5.933 1.00 0.00 C ATOM 585 CG1 ILE A 39 -1.821 -7.890 -5.889 1.00 0.00 C ATOM 586 CG2 ILE A 39 -2.602 -5.894 -4.533 1.00 0.00 C ATOM 587 CD1 ILE A 39 -0.534 -7.989 -5.067 1.00 0.00 C ATOM 0 H ILE A 39 -2.376 -6.027 -8.501 1.00 0.00 H new ATOM 0 HA ILE A 39 -4.246 -7.137 -6.488 1.00 0.00 H new ATOM 0 HB ILE A 39 -1.546 -5.840 -6.376 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.583 -8.538 -5.457 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.637 -8.246 -6.903 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -1.701 -5.985 -3.927 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.886 -4.844 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -3.411 -6.457 -4.067 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -0.191 -9.023 -5.052 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.234 -7.358 -5.516 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -0.727 -7.656 -4.047 1.00 0.00 H new ATOM 599 N GLU A 40 -5.136 -4.972 -5.581 1.00 0.00 N ATOM 600 CA GLU A 40 -5.921 -3.783 -5.291 1.00 0.00 C ATOM 601 C GLU A 40 -5.014 -2.660 -4.784 1.00 0.00 C ATOM 602 O GLU A 40 -4.244 -2.855 -3.845 1.00 0.00 O ATOM 603 CB GLU A 40 -7.029 -4.091 -4.282 1.00 0.00 C ATOM 604 CG GLU A 40 -8.374 -4.278 -4.985 1.00 0.00 C ATOM 605 CD GLU A 40 -9.423 -4.840 -4.023 1.00 0.00 C ATOM 606 OE1 GLU A 40 -9.065 -5.779 -3.279 1.00 0.00 O ATOM 607 OE2 GLU A 40 -10.558 -4.319 -4.053 1.00 0.00 O ATOM 0 H GLU A 40 -5.254 -5.735 -4.914 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.397 -3.451 -6.213 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -6.778 -4.993 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -7.103 -3.279 -3.558 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.716 -3.323 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.254 -4.953 -5.833 1.00 0.00 H new ATOM 614 N PHE A 41 -5.136 -1.508 -5.428 1.00 0.00 N ATOM 615 CA PHE A 41 -4.337 -0.354 -5.054 1.00 0.00 C ATOM 616 C PHE A 41 -4.680 0.856 -5.926 1.00 0.00 C ATOM 617 O PHE A 41 -5.520 0.763 -6.820 1.00 0.00 O ATOM 618 CB PHE A 41 -2.872 -0.731 -5.280 1.00 0.00 C ATOM 619 CG PHE A 41 -2.377 -0.477 -6.705 1.00 0.00 C ATOM 620 CD1 PHE A 41 -1.898 0.749 -7.050 1.00 0.00 C ATOM 621 CD2 PHE A 41 -2.414 -1.476 -7.627 1.00 0.00 C ATOM 622 CE1 PHE A 41 -1.439 0.985 -8.373 1.00 0.00 C ATOM 623 CE2 PHE A 41 -1.955 -1.240 -8.949 1.00 0.00 C ATOM 624 CZ PHE A 41 -1.476 -0.015 -9.295 1.00 0.00 C ATOM 0 H PHE A 41 -5.776 -1.350 -6.206 1.00 0.00 H new ATOM 0 HA PHE A 41 -4.533 -0.087 -4.015 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.251 -0.167 -4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.738 -1.786 -5.043 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.867 1.542 -6.318 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -2.793 -2.450 -7.353 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.060 1.959 -8.647 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.986 -2.034 -9.681 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.125 0.164 -10.301 1.00 0.00 H new ATOM 634 N GLU A 42 -4.014 1.963 -5.635 1.00 0.00 N ATOM 635 CA GLU A 42 -4.237 3.189 -6.381 1.00 0.00 C ATOM 636 C GLU A 42 -3.045 4.134 -6.220 1.00 0.00 C ATOM 637 O GLU A 42 -2.328 4.070 -5.222 1.00 0.00 O ATOM 638 CB GLU A 42 -5.537 3.868 -5.945 1.00 0.00 C ATOM 639 CG GLU A 42 -5.428 4.391 -4.511 1.00 0.00 C ATOM 640 CD GLU A 42 -6.358 5.586 -4.291 1.00 0.00 C ATOM 641 OE1 GLU A 42 -6.179 6.586 -5.019 1.00 0.00 O ATOM 642 OE2 GLU A 42 -7.226 5.472 -3.399 1.00 0.00 O ATOM 0 H GLU A 42 -3.319 2.037 -4.892 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.334 2.935 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.765 4.693 -6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.363 3.160 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.680 3.595 -3.810 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -4.399 4.684 -4.304 1.00 0.00 H new ATOM 649 N GLU A 43 -2.869 4.990 -7.216 1.00 0.00 N ATOM 650 CA GLU A 43 -1.776 5.947 -7.197 1.00 0.00 C ATOM 651 C GLU A 43 -2.262 7.298 -6.670 1.00 0.00 C ATOM 652 O GLU A 43 -2.516 8.217 -7.447 1.00 0.00 O ATOM 653 CB GLU A 43 -1.151 6.093 -8.586 1.00 0.00 C ATOM 654 CG GLU A 43 0.003 5.106 -8.775 1.00 0.00 C ATOM 655 CD GLU A 43 0.585 5.206 -10.186 1.00 0.00 C ATOM 656 OE1 GLU A 43 1.259 6.225 -10.451 1.00 0.00 O ATOM 657 OE2 GLU A 43 0.343 4.262 -10.968 1.00 0.00 O ATOM 0 H GLU A 43 -3.466 5.041 -8.042 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.004 5.573 -6.524 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -1.910 5.922 -9.350 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -0.788 7.112 -8.720 1.00 0.00 H new ATOM 0 HG2 GLU A 43 0.783 5.308 -8.041 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -0.349 4.090 -8.594 1.00 0.00 H new ATOM 664 N VAL A 44 -2.377 7.376 -5.352 1.00 0.00 N ATOM 665 CA VAL A 44 -2.828 8.600 -4.712 1.00 0.00 C ATOM 666 C VAL A 44 -1.816 9.715 -4.982 1.00 0.00 C ATOM 667 O VAL A 44 -0.836 9.859 -4.252 1.00 0.00 O ATOM 668 CB VAL A 44 -3.063 8.354 -3.220 1.00 0.00 C ATOM 669 CG1 VAL A 44 -3.239 9.675 -2.468 1.00 0.00 C ATOM 670 CG2 VAL A 44 -4.265 7.433 -2.999 1.00 0.00 C ATOM 0 H VAL A 44 -2.166 6.612 -4.710 1.00 0.00 H new ATOM 0 HA VAL A 44 -3.783 8.920 -5.130 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.181 7.855 -2.819 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.405 9.472 -1.410 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -2.342 10.283 -2.585 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.096 10.213 -2.873 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.410 7.274 -1.930 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -5.158 7.893 -3.422 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -4.084 6.475 -3.487 1.00 0.00 H new ATOM 680 N ASP A 45 -2.088 10.476 -6.032 1.00 0.00 N ATOM 681 CA ASP A 45 -1.213 11.574 -6.407 1.00 0.00 C ATOM 682 C ASP A 45 -1.178 12.602 -5.275 1.00 0.00 C ATOM 683 O ASP A 45 -2.170 13.285 -5.021 1.00 0.00 O ATOM 684 CB ASP A 45 -1.720 12.276 -7.668 1.00 0.00 C ATOM 685 CG ASP A 45 -0.748 13.286 -8.282 1.00 0.00 C ATOM 686 OD1 ASP A 45 0.139 13.747 -7.531 1.00 0.00 O ATOM 687 OD2 ASP A 45 -0.913 13.573 -9.487 1.00 0.00 O ATOM 0 H ASP A 45 -2.902 10.354 -6.635 1.00 0.00 H new ATOM 0 HA ASP A 45 -0.221 11.165 -6.596 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -1.955 11.520 -8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -2.652 12.790 -7.430 1.00 0.00 H new ATOM 692 N ILE A 46 -0.026 12.682 -4.625 1.00 0.00 N ATOM 693 CA ILE A 46 0.150 13.615 -3.526 1.00 0.00 C ATOM 694 C ILE A 46 0.717 14.930 -4.066 1.00 0.00 C ATOM 695 O ILE A 46 0.588 15.974 -3.428 1.00 0.00 O ATOM 696 CB ILE A 46 1.001 12.987 -2.421 1.00 0.00 C ATOM 697 CG1 ILE A 46 2.273 12.360 -2.997 1.00 0.00 C ATOM 698 CG2 ILE A 46 0.186 11.982 -1.605 1.00 0.00 C ATOM 699 CD1 ILE A 46 3.404 12.370 -1.967 1.00 0.00 C ATOM 0 H ILE A 46 0.795 12.115 -4.839 1.00 0.00 H new ATOM 0 HA ILE A 46 -0.810 13.846 -3.065 1.00 0.00 H new ATOM 0 HB ILE A 46 1.312 13.778 -1.739 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.069 11.336 -3.308 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.582 12.908 -3.887 1.00 0.00 H new ATOM 0 HG21 ILE A 46 0.815 11.550 -0.826 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.663 12.489 -1.146 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -0.176 11.189 -2.260 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.296 11.919 -2.402 1.00 0.00 H new ATOM 0 HD12 ILE A 46 3.622 13.398 -1.676 1.00 0.00 H new ATOM 0 HD13 ILE A 46 3.101 11.801 -1.088 1.00 0.00 H new ATOM 711 N THR A 47 1.331 14.837 -5.236 1.00 0.00 N ATOM 712 CA THR A 47 1.918 16.006 -5.869 1.00 0.00 C ATOM 713 C THR A 47 0.823 16.982 -6.305 1.00 0.00 C ATOM 714 O THR A 47 1.001 18.196 -6.224 1.00 0.00 O ATOM 715 CB THR A 47 2.799 15.526 -7.024 1.00 0.00 C ATOM 716 OG1 THR A 47 4.127 15.647 -6.521 1.00 0.00 O ATOM 717 CG2 THR A 47 2.766 16.479 -8.221 1.00 0.00 C ATOM 0 H THR A 47 1.435 13.970 -5.763 1.00 0.00 H new ATOM 0 HA THR A 47 2.546 16.561 -5.171 1.00 0.00 H new ATOM 0 HB THR A 47 2.474 14.535 -7.340 1.00 0.00 H new ATOM 0 HG1 THR A 47 4.299 16.579 -6.273 1.00 0.00 H new ATOM 0 HG21 THR A 47 3.408 16.092 -9.012 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.744 16.563 -8.591 1.00 0.00 H new ATOM 0 HG23 THR A 47 3.123 17.462 -7.913 1.00 0.00 H new ATOM 725 N MET A 48 -0.285 16.414 -6.758 1.00 0.00 N ATOM 726 CA MET A 48 -1.408 17.219 -7.207 1.00 0.00 C ATOM 727 C MET A 48 -2.366 17.516 -6.052 1.00 0.00 C ATOM 728 O MET A 48 -2.771 18.661 -5.856 1.00 0.00 O ATOM 729 CB MET A 48 -2.159 16.476 -8.314 1.00 0.00 C ATOM 730 CG MET A 48 -1.432 16.609 -9.654 1.00 0.00 C ATOM 731 SD MET A 48 -1.574 18.282 -10.262 1.00 0.00 S ATOM 732 CE MET A 48 0.042 18.483 -10.993 1.00 0.00 C ATOM 0 H MET A 48 -0.429 15.406 -6.824 1.00 0.00 H new ATOM 0 HA MET A 48 -1.023 18.165 -7.588 1.00 0.00 H new ATOM 0 HB2 MET A 48 -2.254 15.423 -8.050 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.170 16.874 -8.403 1.00 0.00 H new ATOM 0 HG2 MET A 48 -0.381 16.344 -9.535 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.856 15.913 -10.378 1.00 0.00 H new ATOM 0 HE1 MET A 48 0.125 19.481 -11.423 1.00 0.00 H new ATOM 0 HE2 MET A 48 0.807 18.353 -10.227 1.00 0.00 H new ATOM 0 HE3 MET A 48 0.183 17.738 -11.776 1.00 0.00 H new ATOM 742 N SER A 49 -2.700 16.466 -5.317 1.00 0.00 N ATOM 743 CA SER A 49 -3.602 16.600 -4.186 1.00 0.00 C ATOM 744 C SER A 49 -2.803 16.840 -2.904 1.00 0.00 C ATOM 745 O SER A 49 -2.414 15.892 -2.224 1.00 0.00 O ATOM 746 CB SER A 49 -4.486 15.360 -4.036 1.00 0.00 C ATOM 747 OG SER A 49 -5.196 15.063 -5.235 1.00 0.00 O ATOM 0 H SER A 49 -2.362 15.518 -5.483 1.00 0.00 H new ATOM 0 HA SER A 49 -4.252 17.456 -4.367 1.00 0.00 H new ATOM 0 HB2 SER A 49 -3.868 14.506 -3.759 1.00 0.00 H new ATOM 0 HB3 SER A 49 -5.196 15.517 -3.224 1.00 0.00 H new ATOM 0 HG SER A 49 -5.747 14.264 -5.099 1.00 0.00 H new ATOM 753 N GLU A 50 -2.580 18.114 -2.612 1.00 0.00 N ATOM 754 CA GLU A 50 -1.834 18.490 -1.424 1.00 0.00 C ATOM 755 C GLU A 50 -2.420 17.802 -0.189 1.00 0.00 C ATOM 756 O GLU A 50 -1.685 17.227 0.612 1.00 0.00 O ATOM 757 CB GLU A 50 -1.814 20.010 -1.248 1.00 0.00 C ATOM 758 CG GLU A 50 -0.868 20.418 -0.116 1.00 0.00 C ATOM 759 CD GLU A 50 0.155 21.447 -0.601 1.00 0.00 C ATOM 760 OE1 GLU A 50 -0.185 22.649 -0.558 1.00 0.00 O ATOM 761 OE2 GLU A 50 1.254 21.008 -1.005 1.00 0.00 O ATOM 0 H GLU A 50 -2.903 18.898 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.803 18.158 -1.545 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -1.500 20.483 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -2.821 20.368 -1.033 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.443 20.834 0.711 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.351 19.538 0.266 1.00 0.00 H new ATOM 768 N GLU A 51 -3.737 17.885 -0.074 1.00 0.00 N ATOM 769 CA GLU A 51 -4.430 17.278 1.049 1.00 0.00 C ATOM 770 C GLU A 51 -3.856 15.890 1.339 1.00 0.00 C ATOM 771 O GLU A 51 -3.418 15.616 2.456 1.00 0.00 O ATOM 772 CB GLU A 51 -5.936 17.205 0.790 1.00 0.00 C ATOM 773 CG GLU A 51 -6.712 17.075 2.102 1.00 0.00 C ATOM 774 CD GLU A 51 -7.951 16.194 1.922 1.00 0.00 C ATOM 775 OE1 GLU A 51 -8.897 16.675 1.262 1.00 0.00 O ATOM 776 OE2 GLU A 51 -7.922 15.060 2.447 1.00 0.00 O ATOM 0 H GLU A 51 -4.343 18.364 -0.741 1.00 0.00 H new ATOM 0 HA GLU A 51 -4.276 17.905 1.927 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -6.261 18.099 0.258 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -6.157 16.353 0.147 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -6.066 16.648 2.870 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.012 18.063 2.451 1.00 0.00 H new ATOM 783 N GLN A 52 -3.877 15.050 0.315 1.00 0.00 N ATOM 784 CA GLN A 52 -3.364 13.697 0.446 1.00 0.00 C ATOM 785 C GLN A 52 -1.983 13.714 1.106 1.00 0.00 C ATOM 786 O GLN A 52 -1.739 12.980 2.062 1.00 0.00 O ATOM 787 CB GLN A 52 -3.313 12.995 -0.913 1.00 0.00 C ATOM 788 CG GLN A 52 -4.721 12.677 -1.419 1.00 0.00 C ATOM 789 CD GLN A 52 -5.456 11.751 -0.447 1.00 0.00 C ATOM 790 OE1 GLN A 52 -5.233 10.552 -0.403 1.00 0.00 O ATOM 791 NE2 GLN A 52 -6.342 12.372 0.327 1.00 0.00 N ATOM 0 H GLN A 52 -4.241 15.280 -0.609 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.044 13.133 1.084 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.798 13.629 -1.635 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -2.736 12.074 -0.829 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.285 13.602 -1.543 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -4.661 12.207 -2.400 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.479 13.379 0.238 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.884 11.841 1.009 1.00 0.00 H new ATOM 800 N ARG A 53 -1.116 14.560 0.569 1.00 0.00 N ATOM 801 CA ARG A 53 0.233 14.682 1.093 1.00 0.00 C ATOM 802 C ARG A 53 0.197 14.871 2.611 1.00 0.00 C ATOM 803 O ARG A 53 0.719 14.043 3.356 1.00 0.00 O ATOM 804 CB ARG A 53 0.967 15.864 0.456 1.00 0.00 C ATOM 805 CG ARG A 53 2.483 15.699 0.578 1.00 0.00 C ATOM 806 CD ARG A 53 3.208 16.446 -0.543 1.00 0.00 C ATOM 807 NE ARG A 53 4.129 17.452 0.032 1.00 0.00 N ATOM 808 CZ ARG A 53 4.851 18.312 -0.697 1.00 0.00 C ATOM 809 NH1 ARG A 53 4.765 18.295 -2.034 1.00 0.00 N ATOM 810 NH2 ARG A 53 5.661 19.190 -0.090 1.00 0.00 N ATOM 0 H ARG A 53 -1.322 15.168 -0.224 1.00 0.00 H new ATOM 0 HA ARG A 53 0.768 13.764 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 53 0.690 15.945 -0.595 1.00 0.00 H new ATOM 0 HB3 ARG A 53 0.659 16.791 0.939 1.00 0.00 H new ATOM 0 HG2 ARG A 53 2.817 16.075 1.545 1.00 0.00 H new ATOM 0 HG3 ARG A 53 2.741 14.641 0.541 1.00 0.00 H new ATOM 0 HD2 ARG A 53 3.765 15.741 -1.160 1.00 0.00 H new ATOM 0 HD3 ARG A 53 2.483 16.935 -1.194 1.00 0.00 H new ATOM 0 HE ARG A 53 4.219 17.493 1.047 1.00 0.00 H new ATOM 0 HH11 ARG A 53 4.149 17.627 -2.497 1.00 0.00 H new ATOM 0 HH12 ARG A 53 5.315 18.951 -2.589 1.00 0.00 H new ATOM 0 HH21 ARG A 53 5.728 19.203 0.928 1.00 0.00 H new ATOM 0 HH22 ARG A 53 6.211 19.845 -0.646 1.00 0.00 H new ATOM 824 N GLN A 54 -0.424 15.966 3.025 1.00 0.00 N ATOM 825 CA GLN A 54 -0.535 16.275 4.440 1.00 0.00 C ATOM 826 C GLN A 54 -0.976 15.035 5.220 1.00 0.00 C ATOM 827 O GLN A 54 -0.272 14.580 6.120 1.00 0.00 O ATOM 828 CB GLN A 54 -1.497 17.441 4.674 1.00 0.00 C ATOM 829 CG GLN A 54 -0.967 18.725 4.033 1.00 0.00 C ATOM 830 CD GLN A 54 0.442 19.047 4.534 1.00 0.00 C ATOM 831 OE1 GLN A 54 0.713 19.086 5.723 1.00 0.00 O ATOM 832 NE2 GLN A 54 1.322 19.276 3.563 1.00 0.00 N ATOM 0 H GLN A 54 -0.856 16.651 2.404 1.00 0.00 H new ATOM 0 HA GLN A 54 0.446 16.580 4.803 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.475 17.199 4.258 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -1.635 17.594 5.744 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.955 18.616 2.949 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.637 19.554 4.263 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.029 19.227 2.587 1.00 0.00 H new ATOM 0 HE22 GLN A 54 2.290 19.500 3.794 1.00 0.00 H new ATOM 841 N TRP A 55 -2.141 14.524 4.847 1.00 0.00 N ATOM 842 CA TRP A 55 -2.685 13.346 5.501 1.00 0.00 C ATOM 843 C TRP A 55 -1.555 12.324 5.651 1.00 0.00 C ATOM 844 O TRP A 55 -1.339 11.787 6.736 1.00 0.00 O ATOM 845 CB TRP A 55 -3.888 12.798 4.731 1.00 0.00 C ATOM 846 CG TRP A 55 -4.587 11.625 5.421 1.00 0.00 C ATOM 847 CD1 TRP A 55 -5.674 11.658 6.204 1.00 0.00 C ATOM 848 CD2 TRP A 55 -4.201 10.236 5.358 1.00 0.00 C ATOM 849 NE1 TRP A 55 -6.015 10.396 6.649 1.00 0.00 N ATOM 850 CE2 TRP A 55 -5.091 9.504 6.118 1.00 0.00 C ATOM 851 CE3 TRP A 55 -3.134 9.618 4.681 1.00 0.00 C ATOM 852 CZ2 TRP A 55 -5.005 8.116 6.273 1.00 0.00 C ATOM 853 CZ3 TRP A 55 -3.063 8.230 4.846 1.00 0.00 C ATOM 854 CH2 TRP A 55 -3.951 7.479 5.608 1.00 0.00 C ATOM 0 H TRP A 55 -2.723 14.904 4.100 1.00 0.00 H new ATOM 0 HA TRP A 55 -3.063 13.595 6.493 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -4.609 13.602 4.584 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -3.559 12.480 3.742 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -6.215 12.558 6.455 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -6.801 10.162 7.256 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -2.426 10.171 4.082 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -5.714 7.566 6.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -2.262 7.705 4.346 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -3.828 6.409 5.686 1.00 0.00 H new ATOM 865 N MET A 56 -0.865 12.087 4.545 1.00 0.00 N ATOM 866 CA MET A 56 0.237 11.140 4.540 1.00 0.00 C ATOM 867 C MET A 56 1.294 11.522 5.578 1.00 0.00 C ATOM 868 O MET A 56 1.822 10.659 6.278 1.00 0.00 O ATOM 869 CB MET A 56 0.875 11.106 3.150 1.00 0.00 C ATOM 870 CG MET A 56 1.645 9.802 2.931 1.00 0.00 C ATOM 871 SD MET A 56 2.617 9.910 1.438 1.00 0.00 S ATOM 872 CE MET A 56 3.700 11.261 1.871 1.00 0.00 C ATOM 0 H MET A 56 -1.048 12.534 3.647 1.00 0.00 H new ATOM 0 HA MET A 56 -0.155 10.155 4.794 1.00 0.00 H new ATOM 0 HB2 MET A 56 0.102 11.208 2.389 1.00 0.00 H new ATOM 0 HB3 MET A 56 1.550 11.954 3.035 1.00 0.00 H new ATOM 0 HG2 MET A 56 2.294 9.606 3.784 1.00 0.00 H new ATOM 0 HG3 MET A 56 0.949 8.966 2.862 1.00 0.00 H new ATOM 0 HE1 MET A 56 4.662 11.129 1.375 1.00 0.00 H new ATOM 0 HE2 MET A 56 3.253 12.202 1.552 1.00 0.00 H new ATOM 0 HE3 MET A 56 3.848 11.277 2.951 1.00 0.00 H new ATOM 882 N TYR A 57 1.571 12.816 5.645 1.00 0.00 N ATOM 883 CA TYR A 57 2.555 13.323 6.586 1.00 0.00 C ATOM 884 C TYR A 57 2.031 13.247 8.022 1.00 0.00 C ATOM 885 O TYR A 57 2.752 13.563 8.967 1.00 0.00 O ATOM 886 CB TYR A 57 2.777 14.790 6.214 1.00 0.00 C ATOM 887 CG TYR A 57 3.669 14.993 4.988 1.00 0.00 C ATOM 888 CD1 TYR A 57 3.840 13.966 4.081 1.00 0.00 C ATOM 889 CD2 TYR A 57 4.303 16.202 4.788 1.00 0.00 C ATOM 890 CE1 TYR A 57 4.680 14.157 2.927 1.00 0.00 C ATOM 891 CE2 TYR A 57 5.142 16.393 3.633 1.00 0.00 C ATOM 892 CZ TYR A 57 5.289 15.361 2.760 1.00 0.00 C ATOM 893 OH TYR A 57 6.082 15.541 1.670 1.00 0.00 O ATOM 0 H TYR A 57 1.131 13.529 5.063 1.00 0.00 H new ATOM 0 HA TYR A 57 3.472 12.735 6.536 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.810 15.257 6.028 1.00 0.00 H new ATOM 0 HB3 TYR A 57 3.223 15.306 7.064 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.344 13.020 4.237 1.00 0.00 H new ATOM 0 HD2 TYR A 57 4.170 17.005 5.498 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.823 13.362 2.210 1.00 0.00 H new ATOM 0 HE2 TYR A 57 5.643 17.335 3.464 1.00 0.00 H new ATOM 0 HH TYR A 57 6.450 16.449 1.680 1.00 0.00 H new ATOM 903 N LYS A 58 0.781 12.825 8.140 1.00 0.00 N ATOM 904 CA LYS A 58 0.152 12.704 9.444 1.00 0.00 C ATOM 905 C LYS A 58 0.044 11.224 9.818 1.00 0.00 C ATOM 906 O LYS A 58 -0.272 10.890 10.958 1.00 0.00 O ATOM 907 CB LYS A 58 -1.188 13.442 9.464 1.00 0.00 C ATOM 908 CG LYS A 58 -1.002 14.925 9.136 1.00 0.00 C ATOM 909 CD LYS A 58 -1.892 15.799 10.022 1.00 0.00 C ATOM 910 CE LYS A 58 -2.144 17.161 9.372 1.00 0.00 C ATOM 911 NZ LYS A 58 -2.813 18.074 10.326 1.00 0.00 N ATOM 0 H LYS A 58 0.187 12.563 7.354 1.00 0.00 H new ATOM 0 HA LYS A 58 0.765 13.183 10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.868 12.989 8.742 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -1.650 13.338 10.446 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.042 15.204 9.276 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -1.241 15.102 8.087 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -2.842 15.295 10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -1.419 15.938 10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.199 17.595 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -2.762 17.038 8.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -2.977 18.994 9.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.724 17.665 10.617 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -2.209 18.205 11.162 1.00 0.00 H new ATOM 925 N ASN A 59 0.313 10.377 8.835 1.00 0.00 N ATOM 926 CA ASN A 59 0.250 8.941 9.046 1.00 0.00 C ATOM 927 C ASN A 59 1.633 8.333 8.802 1.00 0.00 C ATOM 928 O ASN A 59 1.744 7.217 8.298 1.00 0.00 O ATOM 929 CB ASN A 59 -0.733 8.284 8.075 1.00 0.00 C ATOM 930 CG ASN A 59 -2.166 8.740 8.353 1.00 0.00 C ATOM 931 OD1 ASN A 59 -3.067 7.946 8.569 1.00 0.00 O ATOM 932 ND2 ASN A 59 -2.327 10.061 8.337 1.00 0.00 N ATOM 0 H ASN A 59 0.575 10.658 7.890 1.00 0.00 H new ATOM 0 HA ASN A 59 -0.082 8.765 10.069 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -0.460 8.535 7.050 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -0.669 7.200 8.165 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -3.247 10.465 8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -1.530 10.670 8.150 1.00 0.00 H new ATOM 939 N VAL A 60 2.652 9.095 9.171 1.00 0.00 N ATOM 940 CA VAL A 60 4.023 8.645 8.999 1.00 0.00 C ATOM 941 C VAL A 60 4.913 9.325 10.042 1.00 0.00 C ATOM 942 O VAL A 60 5.072 10.544 10.028 1.00 0.00 O ATOM 943 CB VAL A 60 4.482 8.903 7.562 1.00 0.00 C ATOM 944 CG1 VAL A 60 5.939 8.480 7.368 1.00 0.00 C ATOM 945 CG2 VAL A 60 3.567 8.198 6.559 1.00 0.00 C ATOM 0 H VAL A 60 2.556 10.021 9.588 1.00 0.00 H new ATOM 0 HA VAL A 60 4.095 7.570 9.161 1.00 0.00 H new ATOM 0 HB VAL A 60 4.417 9.975 7.377 1.00 0.00 H new ATOM 0 HG11 VAL A 60 6.240 8.674 6.339 1.00 0.00 H new ATOM 0 HG12 VAL A 60 6.576 9.048 8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 60 6.040 7.416 7.581 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.916 8.398 5.546 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.584 7.124 6.743 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.548 8.569 6.672 1.00 0.00 H new ATOM 955 N PRO A 61 5.485 8.484 10.945 1.00 0.00 N ATOM 956 CA PRO A 61 6.355 8.990 11.993 1.00 0.00 C ATOM 957 C PRO A 61 7.725 9.375 11.430 1.00 0.00 C ATOM 958 O PRO A 61 8.017 9.113 10.264 1.00 0.00 O ATOM 959 CB PRO A 61 6.427 7.872 13.019 1.00 0.00 C ATOM 960 CG PRO A 61 5.977 6.613 12.296 1.00 0.00 C ATOM 961 CD PRO A 61 5.320 7.034 10.991 1.00 0.00 C ATOM 0 HA PRO A 61 5.977 9.906 12.448 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.441 7.760 13.404 1.00 0.00 H new ATOM 0 HB3 PRO A 61 5.783 8.083 13.873 1.00 0.00 H new ATOM 0 HG2 PRO A 61 6.828 5.960 12.102 1.00 0.00 H new ATOM 0 HG3 PRO A 61 5.276 6.049 12.912 1.00 0.00 H new ATOM 0 HD2 PRO A 61 5.795 6.554 10.135 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.267 6.754 10.969 1.00 0.00 H new ATOM 969 N PRO A 62 8.551 10.005 12.308 1.00 0.00 N ATOM 970 CA PRO A 62 9.883 10.428 11.911 1.00 0.00 C ATOM 971 C PRO A 62 10.834 9.233 11.822 1.00 0.00 C ATOM 972 O PRO A 62 11.770 9.238 11.025 1.00 0.00 O ATOM 973 CB PRO A 62 10.302 11.444 12.960 1.00 0.00 C ATOM 974 CG PRO A 62 9.391 11.211 14.154 1.00 0.00 C ATOM 975 CD PRO A 62 8.238 10.332 13.696 1.00 0.00 C ATOM 0 HA PRO A 62 9.904 10.872 10.916 1.00 0.00 H new ATOM 0 HB2 PRO A 62 11.348 11.312 13.236 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.198 12.461 12.582 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.939 10.730 14.964 1.00 0.00 H new ATOM 0 HG3 PRO A 62 9.018 12.159 14.540 1.00 0.00 H new ATOM 0 HD2 PRO A 62 8.159 9.433 14.307 1.00 0.00 H new ATOM 0 HD3 PRO A 62 7.285 10.856 13.774 1.00 0.00 H new ATOM 983 N GLU A 63 10.561 8.237 12.653 1.00 0.00 N ATOM 984 CA GLU A 63 11.380 7.038 12.678 1.00 0.00 C ATOM 985 C GLU A 63 11.200 6.245 11.382 1.00 0.00 C ATOM 986 O GLU A 63 12.003 5.365 11.072 1.00 0.00 O ATOM 987 CB GLU A 63 11.052 6.176 13.899 1.00 0.00 C ATOM 988 CG GLU A 63 9.915 5.199 13.591 1.00 0.00 C ATOM 989 CD GLU A 63 9.358 4.583 14.876 1.00 0.00 C ATOM 990 OE1 GLU A 63 8.803 5.360 15.683 1.00 0.00 O ATOM 991 OE2 GLU A 63 9.500 3.350 15.022 1.00 0.00 O ATOM 0 H GLU A 63 9.784 8.237 13.314 1.00 0.00 H new ATOM 0 HA GLU A 63 12.425 7.337 12.755 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.939 5.622 14.206 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.770 6.816 14.735 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.119 5.718 13.058 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.277 4.410 12.932 1.00 0.00 H new ATOM 998 N LYS A 64 10.143 6.584 10.660 1.00 0.00 N ATOM 999 CA LYS A 64 9.847 5.914 9.405 1.00 0.00 C ATOM 1000 C LYS A 64 10.279 6.808 8.241 1.00 0.00 C ATOM 1001 O LYS A 64 10.685 6.313 7.191 1.00 0.00 O ATOM 1002 CB LYS A 64 8.375 5.502 9.351 1.00 0.00 C ATOM 1003 CG LYS A 64 8.051 4.480 10.442 1.00 0.00 C ATOM 1004 CD LYS A 64 8.674 3.120 10.121 1.00 0.00 C ATOM 1005 CE LYS A 64 7.880 1.986 10.772 1.00 0.00 C ATOM 1006 NZ LYS A 64 8.794 1.028 11.435 1.00 0.00 N ATOM 0 H LYS A 64 9.480 7.314 10.920 1.00 0.00 H new ATOM 0 HA LYS A 64 10.416 4.988 9.324 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.743 6.382 9.473 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.148 5.079 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 64 8.423 4.837 11.402 1.00 0.00 H new ATOM 0 HG3 LYS A 64 6.970 4.375 10.538 1.00 0.00 H new ATOM 0 HD2 LYS A 64 8.703 2.975 9.041 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.705 3.096 10.474 1.00 0.00 H new ATOM 0 HE2 LYS A 64 7.181 2.395 11.501 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.287 1.469 10.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 8.239 0.264 11.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.444 0.624 10.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 9.341 1.522 12.169 1.00 0.00 H new ATOM 1020 N LYS A 65 10.178 8.110 8.467 1.00 0.00 N ATOM 1021 CA LYS A 65 10.553 9.077 7.451 1.00 0.00 C ATOM 1022 C LYS A 65 11.814 8.593 6.732 1.00 0.00 C ATOM 1023 O LYS A 65 12.833 8.328 7.369 1.00 0.00 O ATOM 1024 CB LYS A 65 10.693 10.472 8.064 1.00 0.00 C ATOM 1025 CG LYS A 65 9.335 11.172 8.149 1.00 0.00 C ATOM 1026 CD LYS A 65 9.469 12.552 8.796 1.00 0.00 C ATOM 1027 CE LYS A 65 8.241 12.880 9.647 1.00 0.00 C ATOM 1028 NZ LYS A 65 8.097 14.344 9.807 1.00 0.00 N ATOM 0 H LYS A 65 9.842 8.517 9.340 1.00 0.00 H new ATOM 0 HA LYS A 65 9.769 9.161 6.699 1.00 0.00 H new ATOM 0 HB2 LYS A 65 11.129 10.393 9.060 1.00 0.00 H new ATOM 0 HB3 LYS A 65 11.378 11.070 7.463 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.912 11.274 7.150 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.642 10.561 8.728 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.364 12.581 9.417 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.593 13.310 8.022 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.346 12.470 9.178 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.333 12.409 10.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.259 14.549 10.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.943 14.727 10.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.988 14.786 8.872 1.00 0.00 H new ATOM 1042 N PRO A 66 11.702 8.489 5.381 1.00 0.00 N ATOM 1043 CA PRO A 66 12.820 8.041 4.569 1.00 0.00 C ATOM 1044 C PRO A 66 13.873 9.142 4.431 1.00 0.00 C ATOM 1045 O PRO A 66 13.671 10.262 4.897 1.00 0.00 O ATOM 1046 CB PRO A 66 12.204 7.638 3.239 1.00 0.00 C ATOM 1047 CG PRO A 66 10.840 8.307 3.191 1.00 0.00 C ATOM 1048 CD PRO A 66 10.511 8.794 4.593 1.00 0.00 C ATOM 0 HA PRO A 66 13.355 7.203 5.015 1.00 0.00 H new ATOM 0 HB2 PRO A 66 12.827 7.962 2.406 1.00 0.00 H new ATOM 0 HB3 PRO A 66 12.110 6.555 3.164 1.00 0.00 H new ATOM 0 HG2 PRO A 66 10.848 9.141 2.489 1.00 0.00 H new ATOM 0 HG3 PRO A 66 10.082 7.605 2.843 1.00 0.00 H new ATOM 0 HD2 PRO A 66 10.294 9.862 4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 66 9.632 8.288 4.992 1.00 0.00 H new ATOM 1094 N ASN A 70 10.479 15.377 5.811 1.00 0.00 N ATOM 1095 CA ASN A 70 9.111 14.939 5.592 1.00 0.00 C ATOM 1096 C ASN A 70 9.122 13.566 4.918 1.00 0.00 C ATOM 1097 O ASN A 70 10.113 13.182 4.297 1.00 0.00 O ATOM 1098 CB ASN A 70 8.362 15.909 4.676 1.00 0.00 C ATOM 1099 CG ASN A 70 9.239 16.339 3.498 1.00 0.00 C ATOM 1100 OD1 ASN A 70 9.379 15.639 2.508 1.00 0.00 O ATOM 1101 ND2 ASN A 70 9.818 17.525 3.659 1.00 0.00 N ATOM 0 HA ASN A 70 8.611 14.898 6.560 1.00 0.00 H new ATOM 0 HB2 ASN A 70 7.454 15.435 4.304 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.054 16.787 5.244 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.422 17.901 2.928 1.00 0.00 H new ATOM 0 HD22 ASN A 70 9.658 18.059 4.513 1.00 0.00 H new ATOM 1108 N PRO A 71 7.979 12.844 5.066 1.00 0.00 N ATOM 1109 CA PRO A 71 7.848 11.521 4.479 1.00 0.00 C ATOM 1110 C PRO A 71 7.635 11.611 2.967 1.00 0.00 C ATOM 1111 O PRO A 71 6.703 12.267 2.505 1.00 0.00 O ATOM 1112 CB PRO A 71 6.676 10.882 5.207 1.00 0.00 C ATOM 1113 CG PRO A 71 5.905 12.028 5.842 1.00 0.00 C ATOM 1114 CD PRO A 71 6.786 13.265 5.795 1.00 0.00 C ATOM 0 HA PRO A 71 8.749 10.918 4.595 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.045 10.322 4.516 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.023 10.178 5.963 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.972 12.203 5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 71 5.641 11.786 6.872 1.00 0.00 H new ATOM 0 HD2 PRO A 71 6.284 14.090 5.289 1.00 0.00 H new ATOM 0 HD3 PRO A 71 7.036 13.611 6.798 1.00 0.00 H new ATOM 1122 N LEU A 72 8.516 10.942 2.237 1.00 0.00 N ATOM 1123 CA LEU A 72 8.436 10.938 0.786 1.00 0.00 C ATOM 1124 C LEU A 72 7.912 9.581 0.312 1.00 0.00 C ATOM 1125 O LEU A 72 8.007 8.589 1.033 1.00 0.00 O ATOM 1126 CB LEU A 72 9.784 11.325 0.174 1.00 0.00 C ATOM 1127 CG LEU A 72 10.297 12.726 0.514 1.00 0.00 C ATOM 1128 CD1 LEU A 72 11.809 12.822 0.302 1.00 0.00 C ATOM 1129 CD2 LEU A 72 9.538 13.795 -0.275 1.00 0.00 C ATOM 0 H LEU A 72 9.288 10.399 2.623 1.00 0.00 H new ATOM 0 HA LEU A 72 7.728 11.691 0.441 1.00 0.00 H new ATOM 0 HB2 LEU A 72 10.529 10.598 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 72 9.706 11.241 -0.910 1.00 0.00 H new ATOM 0 HG LEU A 72 10.108 12.912 1.571 1.00 0.00 H new ATOM 0 HD11 LEU A 72 12.148 13.828 0.551 1.00 0.00 H new ATOM 0 HD12 LEU A 72 12.313 12.100 0.944 1.00 0.00 H new ATOM 0 HD13 LEU A 72 12.045 12.607 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 72 9.922 14.781 -0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 72 9.673 13.623 -1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 72 8.477 13.743 -0.031 1.00 0.00 H new ATOM 1141 N PRO A 73 7.357 9.581 -0.930 1.00 0.00 N ATOM 1142 CA PRO A 73 6.819 8.362 -1.509 1.00 0.00 C ATOM 1143 C PRO A 73 7.942 7.433 -1.973 1.00 0.00 C ATOM 1144 O PRO A 73 9.103 7.836 -2.031 1.00 0.00 O ATOM 1145 CB PRO A 73 5.925 8.828 -2.646 1.00 0.00 C ATOM 1146 CG PRO A 73 6.357 10.252 -2.959 1.00 0.00 C ATOM 1147 CD PRO A 73 7.228 10.737 -1.812 1.00 0.00 C ATOM 0 HA PRO A 73 6.251 7.770 -0.791 1.00 0.00 H new ATOM 0 HB2 PRO A 73 6.037 8.185 -3.519 1.00 0.00 H new ATOM 0 HB3 PRO A 73 4.875 8.793 -2.357 1.00 0.00 H new ATOM 0 HG2 PRO A 73 6.909 10.286 -3.898 1.00 0.00 H new ATOM 0 HG3 PRO A 73 5.487 10.898 -3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 73 8.201 11.073 -2.169 1.00 0.00 H new ATOM 0 HD3 PRO A 73 6.769 11.580 -1.295 1.00 0.00 H new ATOM 1155 N PRO A 74 7.548 6.173 -2.301 1.00 0.00 N ATOM 1156 CA PRO A 74 6.153 5.777 -2.204 1.00 0.00 C ATOM 1157 C PRO A 74 5.744 5.562 -0.745 1.00 0.00 C ATOM 1158 O PRO A 74 6.594 5.344 0.116 1.00 0.00 O ATOM 1159 CB PRO A 74 6.044 4.514 -3.043 1.00 0.00 C ATOM 1160 CG PRO A 74 7.463 3.991 -3.197 1.00 0.00 C ATOM 1161 CD PRO A 74 8.415 5.097 -2.770 1.00 0.00 C ATOM 0 HA PRO A 74 5.471 6.544 -2.571 1.00 0.00 H new ATOM 0 HB2 PRO A 74 5.407 3.776 -2.556 1.00 0.00 H new ATOM 0 HB3 PRO A 74 5.599 4.728 -4.015 1.00 0.00 H new ATOM 0 HG2 PRO A 74 7.611 3.102 -2.584 1.00 0.00 H new ATOM 0 HG3 PRO A 74 7.653 3.701 -4.230 1.00 0.00 H new ATOM 0 HD2 PRO A 74 9.087 4.758 -1.982 1.00 0.00 H new ATOM 0 HD3 PRO A 74 9.039 5.425 -3.601 1.00 0.00 H new ATOM 1169 N GLN A 75 4.441 5.633 -0.513 1.00 0.00 N ATOM 1170 CA GLN A 75 3.909 5.449 0.826 1.00 0.00 C ATOM 1171 C GLN A 75 2.657 4.571 0.784 1.00 0.00 C ATOM 1172 O GLN A 75 1.537 5.080 0.785 1.00 0.00 O ATOM 1173 CB GLN A 75 3.612 6.797 1.488 1.00 0.00 C ATOM 1174 CG GLN A 75 4.897 7.454 1.995 1.00 0.00 C ATOM 1175 CD GLN A 75 5.233 6.980 3.410 1.00 0.00 C ATOM 1176 OE1 GLN A 75 4.371 6.608 4.190 1.00 0.00 O ATOM 1177 NE2 GLN A 75 6.531 7.014 3.698 1.00 0.00 N ATOM 0 H GLN A 75 3.739 5.815 -1.230 1.00 0.00 H new ATOM 0 HA GLN A 75 4.663 4.943 1.429 1.00 0.00 H new ATOM 0 HB2 GLN A 75 3.120 7.457 0.773 1.00 0.00 H new ATOM 0 HB3 GLN A 75 2.920 6.654 2.318 1.00 0.00 H new ATOM 0 HG2 GLN A 75 5.721 7.216 1.323 1.00 0.00 H new ATOM 0 HG3 GLN A 75 4.783 8.538 1.988 1.00 0.00 H new ATOM 0 HE21 GLN A 75 7.200 7.336 2.999 1.00 0.00 H new ATOM 0 HE22 GLN A 75 6.857 6.718 4.618 1.00 0.00 H new ATOM 1186 N ILE A 76 2.889 3.267 0.748 1.00 0.00 N ATOM 1187 CA ILE A 76 1.794 2.313 0.706 1.00 0.00 C ATOM 1188 C ILE A 76 0.909 2.504 1.940 1.00 0.00 C ATOM 1189 O ILE A 76 1.413 2.655 3.052 1.00 0.00 O ATOM 1190 CB ILE A 76 2.329 0.889 0.548 1.00 0.00 C ATOM 1191 CG1 ILE A 76 2.999 0.703 -0.816 1.00 0.00 C ATOM 1192 CG2 ILE A 76 1.225 -0.142 0.789 1.00 0.00 C ATOM 1193 CD1 ILE A 76 4.508 0.503 -0.663 1.00 0.00 C ATOM 0 H ILE A 76 3.819 2.849 0.747 1.00 0.00 H new ATOM 0 HA ILE A 76 1.167 2.492 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 76 3.093 0.725 1.308 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.564 -0.158 -1.324 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.806 1.574 -1.442 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.633 -1.146 0.670 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.834 -0.026 1.800 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.421 0.011 0.069 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.959 0.373 -1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.943 1.376 -0.176 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.698 -0.383 -0.057 1.00 0.00 H new ATOM 1205 N PHE A 77 -0.394 2.490 1.702 1.00 0.00 N ATOM 1206 CA PHE A 77 -1.354 2.659 2.780 1.00 0.00 C ATOM 1207 C PHE A 77 -2.639 1.880 2.497 1.00 0.00 C ATOM 1208 O PHE A 77 -3.400 2.235 1.598 1.00 0.00 O ATOM 1209 CB PHE A 77 -1.682 4.151 2.856 1.00 0.00 C ATOM 1210 CG PHE A 77 -0.760 4.945 3.784 1.00 0.00 C ATOM 1211 CD1 PHE A 77 -0.810 4.743 5.128 1.00 0.00 C ATOM 1212 CD2 PHE A 77 0.109 5.853 3.265 1.00 0.00 C ATOM 1213 CE1 PHE A 77 0.046 5.479 5.989 1.00 0.00 C ATOM 1214 CE2 PHE A 77 0.965 6.590 4.126 1.00 0.00 C ATOM 1215 CZ PHE A 77 0.915 6.387 5.470 1.00 0.00 C ATOM 0 H PHE A 77 -0.808 2.364 0.778 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.934 2.286 3.714 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.626 4.576 1.854 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.711 4.269 3.195 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.501 4.023 5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.148 6.014 2.198 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.007 5.318 7.056 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.655 7.311 3.714 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.566 6.947 6.125 1.00 0.00 H new ATOM 1225 N ASN A 78 -2.843 0.832 3.282 1.00 0.00 N ATOM 1226 CA ASN A 78 -4.024 -0.001 3.128 1.00 0.00 C ATOM 1227 C ASN A 78 -5.209 0.668 3.827 1.00 0.00 C ATOM 1228 O ASN A 78 -5.514 0.354 4.977 1.00 0.00 O ATOM 1229 CB ASN A 78 -3.815 -1.377 3.763 1.00 0.00 C ATOM 1230 CG ASN A 78 -4.911 -2.353 3.331 1.00 0.00 C ATOM 1231 OD1 ASN A 78 -6.095 -2.101 3.478 1.00 0.00 O ATOM 1232 ND2 ASN A 78 -4.451 -3.478 2.790 1.00 0.00 N ATOM 0 H ASN A 78 -2.210 0.541 4.027 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.214 -0.122 2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -2.840 -1.770 3.476 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -3.814 -1.284 4.849 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.103 -4.193 2.469 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -3.446 -3.625 2.697 1.00 0.00 H new ATOM 1239 N GLY A 79 -5.846 1.577 3.104 1.00 0.00 N ATOM 1240 CA GLY A 79 -6.991 2.293 3.640 1.00 0.00 C ATOM 1241 C GLY A 79 -6.544 3.481 4.495 1.00 0.00 C ATOM 1242 O GLY A 79 -6.319 4.573 3.976 1.00 0.00 O ATOM 0 H GLY A 79 -5.591 1.834 2.151 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -7.620 2.645 2.822 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -7.599 1.616 4.241 1.00 0.00 H new ATOM 1246 N ASP A 80 -6.429 3.227 5.790 1.00 0.00 N ATOM 1247 CA ASP A 80 -6.013 4.262 6.721 1.00 0.00 C ATOM 1248 C ASP A 80 -4.931 3.704 7.647 1.00 0.00 C ATOM 1249 O ASP A 80 -4.575 4.333 8.643 1.00 0.00 O ATOM 1250 CB ASP A 80 -7.185 4.726 7.589 1.00 0.00 C ATOM 1251 CG ASP A 80 -6.999 6.093 8.250 1.00 0.00 C ATOM 1252 OD1 ASP A 80 -5.964 6.257 8.932 1.00 0.00 O ATOM 1253 OD2 ASP A 80 -7.896 6.942 8.058 1.00 0.00 O ATOM 0 H ASP A 80 -6.617 2.320 6.217 1.00 0.00 H new ATOM 0 HA ASP A 80 -5.637 5.105 6.142 1.00 0.00 H new ATOM 0 HB2 ASP A 80 -8.084 4.756 6.973 1.00 0.00 H new ATOM 0 HB3 ASP A 80 -7.357 3.983 8.368 1.00 0.00 H new ATOM 1258 N ARG A 81 -4.437 2.529 7.287 1.00 0.00 N ATOM 1259 CA ARG A 81 -3.402 1.879 8.073 1.00 0.00 C ATOM 1260 C ARG A 81 -2.074 1.887 7.313 1.00 0.00 C ATOM 1261 O ARG A 81 -2.010 1.454 6.163 1.00 0.00 O ATOM 1262 CB ARG A 81 -3.785 0.434 8.401 1.00 0.00 C ATOM 1263 CG ARG A 81 -3.935 0.236 9.910 1.00 0.00 C ATOM 1264 CD ARG A 81 -4.559 -1.126 10.225 1.00 0.00 C ATOM 1265 NE ARG A 81 -5.460 -1.011 11.394 1.00 0.00 N ATOM 1266 CZ ARG A 81 -6.066 -2.053 11.979 1.00 0.00 C ATOM 1267 NH1 ARG A 81 -5.872 -3.292 11.509 1.00 0.00 N ATOM 1268 NH2 ARG A 81 -6.868 -1.855 13.035 1.00 0.00 N ATOM 0 H ARG A 81 -4.734 2.010 6.461 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.295 2.435 9.004 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.720 0.180 7.902 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -3.024 -0.244 8.015 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -2.959 0.312 10.389 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.557 1.030 10.325 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.115 -1.489 9.361 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -3.776 -1.856 10.429 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.630 -0.081 11.778 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -5.263 -3.443 10.705 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -6.334 -4.085 11.955 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -7.017 -0.911 13.393 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -7.330 -2.648 13.481 1.00 0.00 H new ATOM 1282 N TYR A 82 -1.047 2.383 7.986 1.00 0.00 N ATOM 1283 CA TYR A 82 0.276 2.453 7.389 1.00 0.00 C ATOM 1284 C TYR A 82 0.851 1.054 7.164 1.00 0.00 C ATOM 1285 O TYR A 82 0.907 0.245 8.089 1.00 0.00 O ATOM 1286 CB TYR A 82 1.155 3.197 8.397 1.00 0.00 C ATOM 1287 CG TYR A 82 2.554 3.530 7.875 1.00 0.00 C ATOM 1288 CD1 TYR A 82 2.741 3.821 6.539 1.00 0.00 C ATOM 1289 CD2 TYR A 82 3.629 3.541 8.740 1.00 0.00 C ATOM 1290 CE1 TYR A 82 4.058 4.135 6.048 1.00 0.00 C ATOM 1291 CE2 TYR A 82 4.946 3.854 8.249 1.00 0.00 C ATOM 1292 CZ TYR A 82 5.095 4.136 6.927 1.00 0.00 C ATOM 1293 OH TYR A 82 6.339 4.433 6.464 1.00 0.00 O ATOM 0 H TYR A 82 -1.104 2.741 8.940 1.00 0.00 H new ATOM 0 HA TYR A 82 0.234 2.953 6.421 1.00 0.00 H new ATOM 0 HB2 TYR A 82 0.656 4.122 8.685 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.249 2.591 9.298 1.00 0.00 H new ATOM 0 HD1 TYR A 82 1.900 3.813 5.862 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.483 3.315 9.786 1.00 0.00 H new ATOM 0 HE1 TYR A 82 4.218 4.365 5.005 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.796 3.865 8.915 1.00 0.00 H new ATOM 0 HH TYR A 82 6.267 5.045 5.702 1.00 0.00 H new ATOM 1303 N CYS A 83 1.263 0.810 5.928 1.00 0.00 N ATOM 1304 CA CYS A 83 1.832 -0.479 5.570 1.00 0.00 C ATOM 1305 C CYS A 83 3.354 -0.383 5.692 1.00 0.00 C ATOM 1306 O CYS A 83 3.955 -1.043 6.538 1.00 0.00 O ATOM 1307 CB CYS A 83 1.398 -0.918 4.170 1.00 0.00 C ATOM 1308 SG CYS A 83 -0.161 -1.872 4.268 1.00 0.00 S ATOM 0 H CYS A 83 1.214 1.482 5.163 1.00 0.00 H new ATOM 0 HA CYS A 83 1.462 -1.245 6.251 1.00 0.00 H new ATOM 0 HB2 CYS A 83 1.260 -0.045 3.533 1.00 0.00 H new ATOM 0 HB3 CYS A 83 2.178 -1.526 3.713 1.00 0.00 H new ATOM 0 HG CYS A 83 0.098 -3.089 4.645 1.00 0.00 H new ATOM 1314 N GLY A 84 3.933 0.445 4.835 1.00 0.00 N ATOM 1315 CA GLY A 84 5.374 0.635 4.836 1.00 0.00 C ATOM 1316 C GLY A 84 5.841 1.292 3.536 1.00 0.00 C ATOM 1317 O GLY A 84 5.172 1.190 2.509 1.00 0.00 O ATOM 0 H GLY A 84 3.431 0.992 4.135 1.00 0.00 H new ATOM 0 HA2 GLY A 84 5.662 1.255 5.685 1.00 0.00 H new ATOM 0 HA3 GLY A 84 5.871 -0.327 4.961 1.00 0.00 H new ATOM 1321 N ASP A 85 6.987 1.952 3.622 1.00 0.00 N ATOM 1322 CA ASP A 85 7.551 2.626 2.465 1.00 0.00 C ATOM 1323 C ASP A 85 8.228 1.595 1.560 1.00 0.00 C ATOM 1324 O ASP A 85 8.283 0.412 1.893 1.00 0.00 O ATOM 1325 CB ASP A 85 8.607 3.651 2.886 1.00 0.00 C ATOM 1326 CG ASP A 85 9.842 3.063 3.572 1.00 0.00 C ATOM 1327 OD1 ASP A 85 9.922 1.817 3.626 1.00 0.00 O ATOM 1328 OD2 ASP A 85 10.677 3.873 4.028 1.00 0.00 O ATOM 0 H ASP A 85 7.540 2.034 4.475 1.00 0.00 H new ATOM 0 HA ASP A 85 6.741 3.135 1.943 1.00 0.00 H new ATOM 0 HB2 ASP A 85 8.929 4.202 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 85 8.144 4.371 3.560 1.00 0.00 H new ATOM 1333 N TYR A 86 8.725 2.081 0.432 1.00 0.00 N ATOM 1334 CA TYR A 86 9.395 1.216 -0.524 1.00 0.00 C ATOM 1335 C TYR A 86 10.365 0.265 0.182 1.00 0.00 C ATOM 1336 O TYR A 86 10.597 -0.849 -0.284 1.00 0.00 O ATOM 1337 CB TYR A 86 10.190 2.143 -1.446 1.00 0.00 C ATOM 1338 CG TYR A 86 11.323 1.446 -2.202 1.00 0.00 C ATOM 1339 CD1 TYR A 86 11.062 0.794 -3.390 1.00 0.00 C ATOM 1340 CD2 TYR A 86 12.607 1.471 -1.696 1.00 0.00 C ATOM 1341 CE1 TYR A 86 12.129 0.138 -4.101 1.00 0.00 C ATOM 1342 CE2 TYR A 86 13.674 0.815 -2.408 1.00 0.00 C ATOM 1343 CZ TYR A 86 13.382 0.181 -3.575 1.00 0.00 C ATOM 1344 OH TYR A 86 14.390 -0.438 -4.247 1.00 0.00 O ATOM 0 H TYR A 86 8.677 3.063 0.159 1.00 0.00 H new ATOM 0 HA TYR A 86 8.670 0.608 -1.065 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.508 2.593 -2.168 1.00 0.00 H new ATOM 0 HB3 TYR A 86 10.609 2.956 -0.853 1.00 0.00 H new ATOM 0 HD1 TYR A 86 10.058 0.776 -3.787 1.00 0.00 H new ATOM 0 HD2 TYR A 86 12.812 1.982 -0.767 1.00 0.00 H new ATOM 0 HE1 TYR A 86 11.938 -0.377 -5.031 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.683 0.827 -2.023 1.00 0.00 H new ATOM 0 HH TYR A 86 14.343 -1.404 -4.090 1.00 0.00 H new ATOM 1354 N ASP A 87 10.904 0.741 1.295 1.00 0.00 N ATOM 1355 CA ASP A 87 11.843 -0.052 2.070 1.00 0.00 C ATOM 1356 C ASP A 87 11.149 -1.327 2.554 1.00 0.00 C ATOM 1357 O ASP A 87 11.709 -2.418 2.459 1.00 0.00 O ATOM 1358 CB ASP A 87 12.331 0.717 3.299 1.00 0.00 C ATOM 1359 CG ASP A 87 13.830 0.599 3.583 1.00 0.00 C ATOM 1360 OD1 ASP A 87 14.387 -0.471 3.255 1.00 0.00 O ATOM 1361 OD2 ASP A 87 14.384 1.581 4.122 1.00 0.00 O ATOM 0 H ASP A 87 10.708 1.666 1.678 1.00 0.00 H new ATOM 0 HA ASP A 87 12.694 -0.287 1.431 1.00 0.00 H new ATOM 0 HB2 ASP A 87 12.083 1.771 3.172 1.00 0.00 H new ATOM 0 HB3 ASP A 87 11.782 0.363 4.172 1.00 0.00 H new ATOM 1366 N SER A 88 9.939 -1.146 3.064 1.00 0.00 N ATOM 1367 CA SER A 88 9.163 -2.268 3.564 1.00 0.00 C ATOM 1368 C SER A 88 8.785 -3.199 2.410 1.00 0.00 C ATOM 1369 O SER A 88 9.022 -4.404 2.476 1.00 0.00 O ATOM 1370 CB SER A 88 7.905 -1.787 4.291 1.00 0.00 C ATOM 1371 OG SER A 88 8.063 -1.816 5.707 1.00 0.00 O ATOM 0 H SER A 88 9.478 -0.240 3.142 1.00 0.00 H new ATOM 0 HA SER A 88 9.777 -2.816 4.279 1.00 0.00 H new ATOM 0 HB2 SER A 88 7.669 -0.771 3.973 1.00 0.00 H new ATOM 0 HB3 SER A 88 7.060 -2.415 4.008 1.00 0.00 H new ATOM 0 HG SER A 88 7.197 -1.656 6.136 1.00 0.00 H new ATOM 1377 N PHE A 89 8.203 -2.604 1.379 1.00 0.00 N ATOM 1378 CA PHE A 89 7.790 -3.365 0.211 1.00 0.00 C ATOM 1379 C PHE A 89 8.904 -4.307 -0.251 1.00 0.00 C ATOM 1380 O PHE A 89 8.711 -5.521 -0.308 1.00 0.00 O ATOM 1381 CB PHE A 89 7.499 -2.355 -0.900 1.00 0.00 C ATOM 1382 CG PHE A 89 7.067 -2.993 -2.223 1.00 0.00 C ATOM 1383 CD1 PHE A 89 5.850 -3.590 -2.324 1.00 0.00 C ATOM 1384 CD2 PHE A 89 7.901 -2.962 -3.297 1.00 0.00 C ATOM 1385 CE1 PHE A 89 5.449 -4.182 -3.551 1.00 0.00 C ATOM 1386 CE2 PHE A 89 7.500 -3.554 -4.524 1.00 0.00 C ATOM 1387 CZ PHE A 89 6.283 -4.151 -4.625 1.00 0.00 C ATOM 0 H PHE A 89 8.008 -1.604 1.328 1.00 0.00 H new ATOM 0 HA PHE A 89 6.915 -3.970 0.450 1.00 0.00 H new ATOM 0 HB2 PHE A 89 6.716 -1.675 -0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 89 8.391 -1.753 -1.073 1.00 0.00 H new ATOM 0 HD1 PHE A 89 5.188 -3.614 -1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 89 8.868 -2.487 -3.217 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.482 -4.657 -3.631 1.00 0.00 H new ATOM 0 HE2 PHE A 89 8.162 -3.530 -5.377 1.00 0.00 H new ATOM 0 HZ PHE A 89 5.978 -4.601 -5.558 1.00 0.00 H new ATOM 1397 N PHE A 90 10.045 -3.713 -0.568 1.00 0.00 N ATOM 1398 CA PHE A 90 11.189 -4.484 -1.023 1.00 0.00 C ATOM 1399 C PHE A 90 11.551 -5.576 -0.014 1.00 0.00 C ATOM 1400 O PHE A 90 11.672 -6.745 -0.376 1.00 0.00 O ATOM 1401 CB PHE A 90 12.363 -3.511 -1.147 1.00 0.00 C ATOM 1402 CG PHE A 90 13.555 -4.070 -1.927 1.00 0.00 C ATOM 1403 CD1 PHE A 90 14.520 -4.776 -1.280 1.00 0.00 C ATOM 1404 CD2 PHE A 90 13.648 -3.862 -3.268 1.00 0.00 C ATOM 1405 CE1 PHE A 90 15.626 -5.295 -2.004 1.00 0.00 C ATOM 1406 CE2 PHE A 90 14.754 -4.381 -3.992 1.00 0.00 C ATOM 1407 CZ PHE A 90 15.720 -5.086 -3.345 1.00 0.00 C ATOM 0 H PHE A 90 10.202 -2.706 -0.519 1.00 0.00 H new ATOM 0 HA PHE A 90 10.958 -4.967 -1.973 1.00 0.00 H new ATOM 0 HB2 PHE A 90 12.017 -2.600 -1.636 1.00 0.00 H new ATOM 0 HB3 PHE A 90 12.695 -3.230 -0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 90 14.445 -4.942 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 90 12.881 -3.302 -3.782 1.00 0.00 H new ATOM 0 HE1 PHE A 90 16.393 -5.856 -1.490 1.00 0.00 H new ATOM 0 HE2 PHE A 90 14.828 -4.216 -5.057 1.00 0.00 H new ATOM 0 HZ PHE A 90 16.562 -5.480 -3.895 1.00 0.00 H new ATOM 1417 N GLU A 91 11.713 -5.155 1.232 1.00 0.00 N ATOM 1418 CA GLU A 91 12.059 -6.082 2.296 1.00 0.00 C ATOM 1419 C GLU A 91 11.168 -7.325 2.227 1.00 0.00 C ATOM 1420 O GLU A 91 11.666 -8.450 2.223 1.00 0.00 O ATOM 1421 CB GLU A 91 11.955 -5.409 3.665 1.00 0.00 C ATOM 1422 CG GLU A 91 13.265 -5.545 4.444 1.00 0.00 C ATOM 1423 CD GLU A 91 13.013 -5.496 5.953 1.00 0.00 C ATOM 1424 OE1 GLU A 91 12.410 -4.494 6.395 1.00 0.00 O ATOM 1425 OE2 GLU A 91 13.430 -6.460 6.629 1.00 0.00 O ATOM 0 H GLU A 91 11.611 -4.184 1.528 1.00 0.00 H new ATOM 0 HA GLU A 91 13.095 -6.392 2.158 1.00 0.00 H new ATOM 0 HB2 GLU A 91 11.711 -4.354 3.538 1.00 0.00 H new ATOM 0 HB3 GLU A 91 11.141 -5.858 4.234 1.00 0.00 H new ATOM 0 HG2 GLU A 91 13.752 -6.485 4.183 1.00 0.00 H new ATOM 0 HG3 GLU A 91 13.947 -4.743 4.159 1.00 0.00 H new ATOM 1432 N SER A 92 9.867 -7.079 2.174 1.00 0.00 N ATOM 1433 CA SER A 92 8.903 -8.164 2.106 1.00 0.00 C ATOM 1434 C SER A 92 8.972 -8.840 0.735 1.00 0.00 C ATOM 1435 O SER A 92 8.621 -10.011 0.597 1.00 0.00 O ATOM 1436 CB SER A 92 7.485 -7.659 2.378 1.00 0.00 C ATOM 1437 OG SER A 92 7.062 -7.945 3.708 1.00 0.00 O ATOM 0 H SER A 92 9.458 -6.145 2.177 1.00 0.00 H new ATOM 0 HA SER A 92 9.154 -8.893 2.877 1.00 0.00 H new ATOM 0 HB2 SER A 92 7.445 -6.583 2.208 1.00 0.00 H new ATOM 0 HB3 SER A 92 6.795 -8.119 1.671 1.00 0.00 H new ATOM 0 HG SER A 92 7.053 -8.915 3.847 1.00 0.00 H new ATOM 1443 N LYS A 93 9.427 -8.073 -0.245 1.00 0.00 N ATOM 1444 CA LYS A 93 9.547 -8.583 -1.601 1.00 0.00 C ATOM 1445 C LYS A 93 10.574 -9.716 -1.626 1.00 0.00 C ATOM 1446 O LYS A 93 10.333 -10.764 -2.224 1.00 0.00 O ATOM 1447 CB LYS A 93 9.862 -7.446 -2.575 1.00 0.00 C ATOM 1448 CG LYS A 93 9.119 -7.636 -3.899 1.00 0.00 C ATOM 1449 CD LYS A 93 8.807 -6.288 -4.551 1.00 0.00 C ATOM 1450 CE LYS A 93 10.063 -5.421 -4.646 1.00 0.00 C ATOM 1451 NZ LYS A 93 10.229 -4.896 -6.019 1.00 0.00 N ATOM 0 H LYS A 93 9.717 -7.102 -0.127 1.00 0.00 H new ATOM 0 HA LYS A 93 8.599 -9.004 -1.935 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.580 -6.492 -2.129 1.00 0.00 H new ATOM 0 HB3 LYS A 93 10.936 -7.407 -2.759 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.723 -8.240 -4.576 1.00 0.00 H new ATOM 0 HG3 LYS A 93 8.192 -8.183 -3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 93 8.396 -6.449 -5.547 1.00 0.00 H new ATOM 0 HD3 LYS A 93 8.045 -5.768 -3.971 1.00 0.00 H new ATOM 0 HE2 LYS A 93 9.995 -4.593 -3.940 1.00 0.00 H new ATOM 0 HE3 LYS A 93 10.938 -6.007 -4.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 10.728 -3.984 -5.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 10.781 -5.572 -6.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 9.294 -4.762 -6.455 1.00 0.00 H new ATOM 1465 N GLU A 94 11.697 -9.469 -0.969 1.00 0.00 N ATOM 1466 CA GLU A 94 12.762 -10.456 -0.908 1.00 0.00 C ATOM 1467 C GLU A 94 12.253 -11.747 -0.263 1.00 0.00 C ATOM 1468 O GLU A 94 12.734 -12.834 -0.579 1.00 0.00 O ATOM 1469 CB GLU A 94 13.975 -9.908 -0.155 1.00 0.00 C ATOM 1470 CG GLU A 94 14.636 -8.769 -0.933 1.00 0.00 C ATOM 1471 CD GLU A 94 16.109 -8.622 -0.547 1.00 0.00 C ATOM 1472 OE1 GLU A 94 16.380 -8.642 0.673 1.00 0.00 O ATOM 1473 OE2 GLU A 94 16.930 -8.494 -1.480 1.00 0.00 O ATOM 0 H GLU A 94 11.893 -8.599 -0.474 1.00 0.00 H new ATOM 0 HA GLU A 94 13.080 -10.682 -1.926 1.00 0.00 H new ATOM 0 HB2 GLU A 94 13.666 -9.551 0.827 1.00 0.00 H new ATOM 0 HB3 GLU A 94 14.697 -10.708 0.009 1.00 0.00 H new ATOM 0 HG2 GLU A 94 14.554 -8.960 -2.003 1.00 0.00 H new ATOM 0 HG3 GLU A 94 14.110 -7.835 -0.735 1.00 0.00 H new ATOM 1480 N SER A 95 11.286 -11.584 0.628 1.00 0.00 N ATOM 1481 CA SER A 95 10.707 -12.723 1.320 1.00 0.00 C ATOM 1482 C SER A 95 9.359 -13.085 0.694 1.00 0.00 C ATOM 1483 O SER A 95 8.645 -13.947 1.205 1.00 0.00 O ATOM 1484 CB SER A 95 10.538 -12.432 2.813 1.00 0.00 C ATOM 1485 OG SER A 95 10.281 -13.618 3.562 1.00 0.00 O ATOM 0 H SER A 95 10.889 -10.681 0.887 1.00 0.00 H new ATOM 0 HA SER A 95 11.387 -13.568 1.217 1.00 0.00 H new ATOM 0 HB2 SER A 95 11.439 -11.951 3.193 1.00 0.00 H new ATOM 0 HB3 SER A 95 9.718 -11.729 2.955 1.00 0.00 H new ATOM 0 HG SER A 95 9.631 -14.173 3.083 1.00 0.00 H new ATOM 1491 N ASN A 96 9.052 -12.409 -0.403 1.00 0.00 N ATOM 1492 CA ASN A 96 7.802 -12.649 -1.104 1.00 0.00 C ATOM 1493 C ASN A 96 6.639 -12.545 -0.116 1.00 0.00 C ATOM 1494 O ASN A 96 5.888 -13.502 0.069 1.00 0.00 O ATOM 1495 CB ASN A 96 7.775 -14.050 -1.719 1.00 0.00 C ATOM 1496 CG ASN A 96 8.730 -14.144 -2.912 1.00 0.00 C ATOM 1497 OD1 ASN A 96 8.358 -13.935 -4.055 1.00 0.00 O ATOM 1498 ND2 ASN A 96 9.976 -14.469 -2.583 1.00 0.00 N ATOM 0 H ASN A 96 9.647 -11.695 -0.824 1.00 0.00 H new ATOM 0 HA ASN A 96 7.712 -11.905 -1.896 1.00 0.00 H new ATOM 0 HB2 ASN A 96 8.054 -14.787 -0.966 1.00 0.00 H new ATOM 0 HB3 ASN A 96 6.762 -14.291 -2.040 1.00 0.00 H new ATOM 0 HD21 ASN A 96 10.688 -14.557 -3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 96 10.220 -14.630 -1.606 1.00 0.00 H new ATOM 1505 N THR A 97 6.526 -11.375 0.495 1.00 0.00 N ATOM 1506 CA THR A 97 5.467 -11.133 1.460 1.00 0.00 C ATOM 1507 C THR A 97 4.705 -9.854 1.106 1.00 0.00 C ATOM 1508 O THR A 97 3.820 -9.430 1.848 1.00 0.00 O ATOM 1509 CB THR A 97 6.097 -11.099 2.854 1.00 0.00 C ATOM 1510 OG1 THR A 97 7.208 -10.218 2.712 1.00 0.00 O ATOM 1511 CG2 THR A 97 6.730 -12.437 3.243 1.00 0.00 C ATOM 0 H THR A 97 7.151 -10.584 0.340 1.00 0.00 H new ATOM 0 HA THR A 97 4.725 -11.931 1.442 1.00 0.00 H new ATOM 0 HB THR A 97 5.338 -10.829 3.588 1.00 0.00 H new ATOM 0 HG1 THR A 97 7.809 -10.559 2.018 1.00 0.00 H new ATOM 0 HG21 THR A 97 7.162 -12.359 4.240 1.00 0.00 H new ATOM 0 HG22 THR A 97 5.967 -13.215 3.238 1.00 0.00 H new ATOM 0 HG23 THR A 97 7.512 -12.691 2.527 1.00 0.00 H new ATOM 1519 N VAL A 98 5.077 -9.275 -0.026 1.00 0.00 N ATOM 1520 CA VAL A 98 4.440 -8.053 -0.486 1.00 0.00 C ATOM 1521 C VAL A 98 2.943 -8.116 -0.176 1.00 0.00 C ATOM 1522 O VAL A 98 2.387 -7.187 0.407 1.00 0.00 O ATOM 1523 CB VAL A 98 4.734 -7.838 -1.972 1.00 0.00 C ATOM 1524 CG1 VAL A 98 3.631 -7.012 -2.636 1.00 0.00 C ATOM 1525 CG2 VAL A 98 6.103 -7.184 -2.171 1.00 0.00 C ATOM 0 H VAL A 98 5.812 -9.630 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 98 4.845 -7.189 0.041 1.00 0.00 H new ATOM 0 HB VAL A 98 4.756 -8.816 -2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 98 3.865 -6.874 -3.692 1.00 0.00 H new ATOM 0 HG12 VAL A 98 2.679 -7.533 -2.541 1.00 0.00 H new ATOM 0 HG13 VAL A 98 3.562 -6.039 -2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.287 -7.042 -3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.121 -6.217 -1.668 1.00 0.00 H new ATOM 0 HG23 VAL A 98 6.877 -7.826 -1.751 1.00 0.00 H new ATOM 1535 N PHE A 99 2.333 -9.221 -0.581 1.00 0.00 N ATOM 1536 CA PHE A 99 0.912 -9.417 -0.354 1.00 0.00 C ATOM 1537 C PHE A 99 0.557 -9.199 1.119 1.00 0.00 C ATOM 1538 O PHE A 99 -0.328 -8.406 1.437 1.00 0.00 O ATOM 1539 CB PHE A 99 0.593 -10.864 -0.735 1.00 0.00 C ATOM 1540 CG PHE A 99 0.471 -11.098 -2.242 1.00 0.00 C ATOM 1541 CD1 PHE A 99 1.589 -11.272 -2.996 1.00 0.00 C ATOM 1542 CD2 PHE A 99 -0.756 -11.132 -2.827 1.00 0.00 C ATOM 1543 CE1 PHE A 99 1.476 -11.489 -4.394 1.00 0.00 C ATOM 1544 CE2 PHE A 99 -0.869 -11.350 -4.226 1.00 0.00 C ATOM 1545 CZ PHE A 99 0.249 -11.524 -4.980 1.00 0.00 C ATOM 0 H PHE A 99 2.798 -9.989 -1.065 1.00 0.00 H new ATOM 0 HA PHE A 99 0.339 -8.705 -0.947 1.00 0.00 H new ATOM 0 HB2 PHE A 99 1.373 -11.514 -0.339 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -0.341 -11.158 -0.255 1.00 0.00 H new ATOM 0 HD1 PHE A 99 2.563 -11.245 -2.531 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -1.644 -10.993 -2.228 1.00 0.00 H new ATOM 0 HE1 PHE A 99 2.364 -11.626 -4.993 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -1.843 -11.378 -4.691 1.00 0.00 H new ATOM 0 HZ PHE A 99 0.163 -11.690 -6.044 1.00 0.00 H new ATOM 1555 N SER A 100 1.265 -9.918 1.977 1.00 0.00 N ATOM 1556 CA SER A 100 1.035 -9.814 3.408 1.00 0.00 C ATOM 1557 C SER A 100 1.440 -8.424 3.903 1.00 0.00 C ATOM 1558 O SER A 100 0.780 -7.855 4.771 1.00 0.00 O ATOM 1559 CB SER A 100 1.807 -10.894 4.170 1.00 0.00 C ATOM 1560 OG SER A 100 0.936 -11.833 4.794 1.00 0.00 O ATOM 0 H SER A 100 1.998 -10.575 1.709 1.00 0.00 H new ATOM 0 HA SER A 100 -0.028 -9.965 3.595 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.472 -11.417 3.483 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.436 -10.425 4.926 1.00 0.00 H new ATOM 0 HG SER A 100 1.467 -12.507 5.268 1.00 0.00 H new ATOM 1566 N PHE A 101 2.522 -7.918 3.330 1.00 0.00 N ATOM 1567 CA PHE A 101 3.021 -6.606 3.702 1.00 0.00 C ATOM 1568 C PHE A 101 1.944 -5.535 3.514 1.00 0.00 C ATOM 1569 O PHE A 101 1.887 -4.568 4.271 1.00 0.00 O ATOM 1570 CB PHE A 101 4.199 -6.296 2.775 1.00 0.00 C ATOM 1571 CG PHE A 101 4.473 -4.802 2.596 1.00 0.00 C ATOM 1572 CD1 PHE A 101 4.521 -3.984 3.681 1.00 0.00 C ATOM 1573 CD2 PHE A 101 4.670 -4.291 1.351 1.00 0.00 C ATOM 1574 CE1 PHE A 101 4.776 -2.597 3.515 1.00 0.00 C ATOM 1575 CE2 PHE A 101 4.925 -2.904 1.184 1.00 0.00 C ATOM 1576 CZ PHE A 101 4.972 -2.086 2.270 1.00 0.00 C ATOM 0 H PHE A 101 3.067 -8.393 2.611 1.00 0.00 H new ATOM 0 HA PHE A 101 3.317 -6.605 4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 101 5.095 -6.774 3.170 1.00 0.00 H new ATOM 0 HB3 PHE A 101 4.006 -6.739 1.798 1.00 0.00 H new ATOM 0 HD1 PHE A 101 4.365 -4.389 4.670 1.00 0.00 H new ATOM 0 HD2 PHE A 101 4.632 -4.940 0.489 1.00 0.00 H new ATOM 0 HE1 PHE A 101 4.814 -1.948 4.377 1.00 0.00 H new ATOM 0 HE2 PHE A 101 5.082 -2.499 0.195 1.00 0.00 H new ATOM 0 HZ PHE A 101 5.165 -1.031 2.143 1.00 0.00 H new ATOM 1586 N LEU A 102 1.118 -5.745 2.500 1.00 0.00 N ATOM 1587 CA LEU A 102 0.046 -4.810 2.203 1.00 0.00 C ATOM 1588 C LEU A 102 -1.249 -5.302 2.853 1.00 0.00 C ATOM 1589 O LEU A 102 -2.322 -4.757 2.598 1.00 0.00 O ATOM 1590 CB LEU A 102 -0.069 -4.589 0.693 1.00 0.00 C ATOM 1591 CG LEU A 102 1.251 -4.518 -0.077 1.00 0.00 C ATOM 1592 CD1 LEU A 102 1.138 -5.232 -1.425 1.00 0.00 C ATOM 1593 CD2 LEU A 102 1.718 -3.070 -0.232 1.00 0.00 C ATOM 0 H LEU A 102 1.169 -6.549 1.874 1.00 0.00 H new ATOM 0 HA LEU A 102 0.265 -3.831 2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -0.669 -5.396 0.272 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -0.617 -3.662 0.522 1.00 0.00 H new ATOM 0 HG LEU A 102 2.013 -5.041 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 102 2.090 -5.167 -1.952 1.00 0.00 H new ATOM 0 HD12 LEU A 102 0.885 -6.280 -1.262 1.00 0.00 H new ATOM 0 HD13 LEU A 102 0.359 -4.759 -2.023 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.658 -3.048 -0.783 1.00 0.00 H new ATOM 0 HD22 LEU A 102 0.965 -2.501 -0.777 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.864 -2.627 0.753 1.00 0.00 H new ATOM 1605 N GLY A 103 -1.106 -6.328 3.679 1.00 0.00 N ATOM 1606 CA GLY A 103 -2.251 -6.899 4.368 1.00 0.00 C ATOM 1607 C GLY A 103 -3.183 -7.611 3.385 1.00 0.00 C ATOM 1608 O GLY A 103 -4.403 -7.489 3.482 1.00 0.00 O ATOM 0 H GLY A 103 -0.215 -6.779 3.887 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -1.909 -7.604 5.126 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -2.797 -6.112 4.887 1.00 0.00 H new ATOM 1612 N LEU A 104 -2.572 -8.337 2.460 1.00 0.00 N ATOM 1613 CA LEU A 104 -3.332 -9.068 1.460 1.00 0.00 C ATOM 1614 C LEU A 104 -3.238 -10.567 1.750 1.00 0.00 C ATOM 1615 O LEU A 104 -2.729 -11.331 0.930 1.00 0.00 O ATOM 1616 CB LEU A 104 -2.873 -8.684 0.052 1.00 0.00 C ATOM 1617 CG LEU A 104 -2.729 -7.185 -0.221 1.00 0.00 C ATOM 1618 CD1 LEU A 104 -1.931 -6.935 -1.502 1.00 0.00 C ATOM 1619 CD2 LEU A 104 -4.097 -6.501 -0.256 1.00 0.00 C ATOM 0 H LEU A 104 -1.560 -8.435 2.382 1.00 0.00 H new ATOM 0 HA LEU A 104 -4.387 -8.799 1.511 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.912 -9.162 -0.138 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -3.582 -9.097 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.167 -6.741 0.600 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.844 -5.862 -1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.936 -7.369 -1.401 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -2.444 -7.396 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -3.967 -5.437 -0.452 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -4.705 -6.943 -1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -4.596 -6.635 0.704 1.00 0.00 H new