USER MOD reduce.3.24.130724 H: found=0, std=0, add=623, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 619 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 86 MET CE :methyl -103:sc= 0 (180deg=0) USER MOD Set 1.2: A 90 HIS : no HD1:sc= -2.41 K(o=-2.4,f=-5.2!) USER MOD Set 2.1: A 53 GLN : amide:sc= -0.501 X(o=-0.48,f=-0.69) USER MOD Set 2.2: A 56 LYS NZ :NH3+ -111:sc= 0.0196 (180deg=0) USER MOD Set 3.1: A 32 GLN :FLIP amide:sc= -0.0951 F(o=-1.9,f=-0.24) USER MOD Set 3.2: A 96 LYS NZ :NH3+ -178:sc= -0.143 (180deg=-0.622) USER MOD Set 4.1: A 20 HIS : no HD1:sc= -1.26! C(o=-1.3!,f=-2.3!) USER MOD Set 4.2: A 23 SER OG : rot -43:sc= -0.0189 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0487 (180deg=-0.469) USER MOD Single : A 27 LYS NZ :NH3+ -124:sc= -0.508 (180deg=-2.08!) USER MOD Single : A 37 HIS : no HD1:sc= -1.12 K(o=-1.1,f=-4.9!) USER MOD Single : A 41 ASN : amide:sc= -1.6 K(o=-1.6,f=-3.1!) USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 45 HIS : no HE2:sc= -2.28 K(o=-2.3,f=-4.4!) USER MOD Single : A 57 CYS SG : rot -39:sc= 0.481 USER MOD Single : A 60 HIS : no HD1:sc= -4.94! C(o=-4.9!,f=-10!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 TYR OH : rot 24:sc= -1.02! USER MOD Single : A 85 GLN : amide:sc= -0.615 X(o=-0.61,f=-0.33) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 GLN : amide:sc= -2.21 K(o=-2.2,f=-12!) USER MOD Single : A 97 SER OG : rot -43:sc= 0.748 USER MOD Single : A 100 ASN : amide:sc= -0.213 K(o=-0.21,f=-0.75) USER MOD Single : A 101 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 GLN : amide:sc= -0.0794 X(o=-0.079,f=-0.41) USER MOD ----------------------------------------------------------------- ATOM 108 N HIS A 20 13.525 -0.472 -9.526 1.00 0.00 N ATOM 109 CA HIS A 20 12.798 -0.853 -8.293 1.00 0.00 C ATOM 110 C HIS A 20 11.486 -0.065 -8.238 1.00 0.00 C ATOM 111 O HIS A 20 11.468 1.094 -7.828 1.00 0.00 O ATOM 112 CB HIS A 20 13.687 -0.565 -7.005 1.00 0.00 C ATOM 113 CG HIS A 20 14.983 0.097 -7.403 1.00 0.00 C ATOM 114 ND1 HIS A 20 15.868 -0.504 -8.280 1.00 0.00 N ATOM 115 CD2 HIS A 20 15.537 1.310 -7.081 1.00 0.00 C ATOM 116 CE1 HIS A 20 16.895 0.341 -8.459 1.00 0.00 C ATOM 117 NE2 HIS A 20 16.745 1.460 -7.748 1.00 0.00 N ATOM 0 HA HIS A 20 12.582 -1.921 -8.307 1.00 0.00 H new ATOM 0 HB2 HIS A 20 13.141 0.076 -6.313 1.00 0.00 H new ATOM 0 HB3 HIS A 20 13.893 -1.498 -6.480 1.00 0.00 H new ATOM 0 HD2 HIS A 20 15.100 2.036 -6.412 1.00 0.00 H new ATOM 0 HE1 HIS A 20 17.740 0.140 -9.101 1.00 0.00 H new ATOM 0 HE2 HIS A 20 17.382 2.256 -7.704 1.00 0.00 H new ATOM 125 N MET A 21 10.390 -0.709 -8.640 1.00 0.00 N ATOM 126 CA MET A 21 9.070 -0.087 -8.621 1.00 0.00 C ATOM 127 C MET A 21 8.628 0.163 -7.186 1.00 0.00 C ATOM 128 O MET A 21 7.899 1.111 -6.910 1.00 0.00 O ATOM 129 CB MET A 21 8.056 -1.003 -9.342 1.00 0.00 C ATOM 130 CG MET A 21 8.523 -1.267 -10.788 1.00 0.00 C ATOM 131 SD MET A 21 7.279 -2.265 -11.638 1.00 0.00 S ATOM 132 CE MET A 21 8.073 -2.240 -13.259 1.00 0.00 C ATOM 0 H MET A 21 10.393 -1.669 -8.985 1.00 0.00 H new ATOM 0 HA MET A 21 9.117 0.871 -9.140 1.00 0.00 H new ATOM 0 HB2 MET A 21 7.958 -1.946 -8.804 1.00 0.00 H new ATOM 0 HB3 MET A 21 7.071 -0.536 -9.348 1.00 0.00 H new ATOM 0 HG2 MET A 21 8.671 -0.324 -11.313 1.00 0.00 H new ATOM 0 HG3 MET A 21 9.482 -1.784 -10.785 1.00 0.00 H new ATOM 0 HE1 MET A 21 7.470 -2.808 -13.968 1.00 0.00 H new ATOM 0 HE2 MET A 21 8.165 -1.210 -13.603 1.00 0.00 H new ATOM 0 HE3 MET A 21 9.064 -2.687 -13.186 1.00 0.00 H new ATOM 142 N ALA A 22 9.072 -0.712 -6.272 1.00 0.00 N ATOM 143 CA ALA A 22 8.708 -0.597 -4.854 1.00 0.00 C ATOM 144 C ALA A 22 9.142 0.749 -4.270 1.00 0.00 C ATOM 145 O ALA A 22 8.337 1.469 -3.674 1.00 0.00 O ATOM 146 CB ALA A 22 9.354 -1.748 -4.047 1.00 0.00 C ATOM 0 H ALA A 22 9.680 -1.502 -6.488 1.00 0.00 H new ATOM 0 HA ALA A 22 7.622 -0.663 -4.783 1.00 0.00 H new ATOM 0 HB1 ALA A 22 9.079 -1.655 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 22 9.001 -2.705 -4.431 1.00 0.00 H new ATOM 0 HB3 ALA A 22 10.438 -1.696 -4.144 1.00 0.00 H new ATOM 152 N SER A 23 10.427 1.076 -4.451 1.00 0.00 N ATOM 153 CA SER A 23 10.985 2.332 -3.937 1.00 0.00 C ATOM 154 C SER A 23 10.362 3.537 -4.627 1.00 0.00 C ATOM 155 O SER A 23 10.019 4.518 -3.977 1.00 0.00 O ATOM 156 CB SER A 23 12.505 2.357 -4.158 1.00 0.00 C ATOM 157 OG SER A 23 12.774 2.445 -5.550 1.00 0.00 O ATOM 0 H SER A 23 11.098 0.490 -4.948 1.00 0.00 H new ATOM 0 HA SER A 23 10.760 2.386 -2.872 1.00 0.00 H new ATOM 0 HB2 SER A 23 12.946 3.206 -3.636 1.00 0.00 H new ATOM 0 HB3 SER A 23 12.959 1.457 -3.744 1.00 0.00 H new ATOM 0 HG SER A 23 12.177 1.840 -6.037 1.00 0.00 H new ATOM 163 N LYS A 24 10.223 3.455 -5.957 1.00 0.00 N ATOM 164 CA LYS A 24 9.647 4.562 -6.744 1.00 0.00 C ATOM 165 C LYS A 24 8.216 4.850 -6.313 1.00 0.00 C ATOM 166 O LYS A 24 7.827 6.005 -6.158 1.00 0.00 O ATOM 167 CB LYS A 24 9.688 4.195 -8.245 1.00 0.00 C ATOM 168 CG LYS A 24 11.150 4.196 -8.767 1.00 0.00 C ATOM 169 CD LYS A 24 11.203 3.767 -10.254 1.00 0.00 C ATOM 170 CE LYS A 24 12.644 3.893 -10.788 1.00 0.00 C ATOM 171 NZ LYS A 24 13.530 3.013 -9.976 1.00 0.00 N ATOM 0 H LYS A 24 10.498 2.643 -6.510 1.00 0.00 H new ATOM 0 HA LYS A 24 10.237 5.462 -6.570 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.242 3.212 -8.397 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.092 4.907 -8.816 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.580 5.191 -8.655 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.756 3.518 -8.166 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.857 2.739 -10.357 1.00 0.00 H new ATOM 0 HD3 LYS A 24 10.532 4.390 -10.845 1.00 0.00 H new ATOM 0 HE2 LYS A 24 12.685 3.605 -11.839 1.00 0.00 H new ATOM 0 HE3 LYS A 24 12.981 4.928 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 14.425 2.859 -10.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 13.724 3.466 -9.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 13.060 2.099 -9.817 1.00 0.00 H new ATOM 185 N ARG A 25 7.432 3.794 -6.126 1.00 0.00 N ATOM 186 CA ARG A 25 6.035 3.948 -5.715 1.00 0.00 C ATOM 187 C ARG A 25 5.969 4.443 -4.278 1.00 0.00 C ATOM 188 O ARG A 25 5.210 5.362 -3.951 1.00 0.00 O ATOM 189 CB ARG A 25 5.336 2.575 -5.851 1.00 0.00 C ATOM 190 CG ARG A 25 5.256 2.134 -7.368 1.00 0.00 C ATOM 191 CD ARG A 25 3.959 2.655 -8.023 1.00 0.00 C ATOM 192 NE ARG A 25 2.812 1.958 -7.418 1.00 0.00 N ATOM 193 CZ ARG A 25 1.556 2.222 -7.782 1.00 0.00 C ATOM 194 NH1 ARG A 25 1.324 3.144 -8.680 1.00 0.00 N ATOM 195 NH2 ARG A 25 0.566 1.569 -7.239 1.00 0.00 N ATOM 0 H ARG A 25 7.734 2.828 -6.250 1.00 0.00 H new ATOM 0 HA ARG A 25 5.532 4.680 -6.347 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.882 1.826 -5.278 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.332 2.629 -5.430 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.121 2.517 -7.909 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.293 1.047 -7.438 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.867 3.731 -7.876 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.983 2.481 -9.099 1.00 0.00 H new ATOM 0 HE ARG A 25 2.982 1.253 -6.700 1.00 0.00 H new ATOM 0 HH11 ARG A 25 2.101 3.656 -9.098 1.00 0.00 H new ATOM 0 HH12 ARG A 25 0.366 3.351 -8.963 1.00 0.00 H new ATOM 0 HH21 ARG A 25 0.751 0.855 -6.535 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -0.394 1.772 -7.519 1.00 0.00 H new ATOM 209 N ASP A 26 6.785 3.827 -3.421 1.00 0.00 N ATOM 210 CA ASP A 26 6.826 4.194 -2.006 1.00 0.00 C ATOM 211 C ASP A 26 7.396 5.590 -1.837 1.00 0.00 C ATOM 212 O ASP A 26 7.268 6.191 -0.774 1.00 0.00 O ATOM 213 CB ASP A 26 7.685 3.185 -1.209 1.00 0.00 C ATOM 214 CG ASP A 26 7.601 3.486 0.298 1.00 0.00 C ATOM 215 OD1 ASP A 26 6.504 3.403 0.827 1.00 0.00 O ATOM 216 OD2 ASP A 26 8.616 3.824 0.884 1.00 0.00 O ATOM 0 H ASP A 26 7.423 3.075 -3.681 1.00 0.00 H new ATOM 0 HA ASP A 26 5.806 4.175 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.340 2.170 -1.404 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.722 3.238 -1.540 1.00 0.00 H new ATOM 221 N LYS A 27 8.051 6.086 -2.883 1.00 0.00 N ATOM 222 CA LYS A 27 8.679 7.406 -2.836 1.00 0.00 C ATOM 223 C LYS A 27 7.682 8.479 -2.420 1.00 0.00 C ATOM 224 O LYS A 27 8.053 9.503 -1.847 1.00 0.00 O ATOM 225 CB LYS A 27 9.272 7.759 -4.215 1.00 0.00 C ATOM 226 CG LYS A 27 10.282 8.939 -4.108 1.00 0.00 C ATOM 227 CD LYS A 27 10.973 9.195 -5.481 1.00 0.00 C ATOM 228 CE LYS A 27 9.945 9.631 -6.584 1.00 0.00 C ATOM 229 NZ LYS A 27 9.379 8.410 -7.229 1.00 0.00 N ATOM 0 H LYS A 27 8.161 5.597 -3.771 1.00 0.00 H new ATOM 0 HA LYS A 27 9.475 7.371 -2.093 1.00 0.00 H new ATOM 0 HB2 LYS A 27 9.772 6.885 -4.633 1.00 0.00 H new ATOM 0 HB3 LYS A 27 8.469 8.026 -4.902 1.00 0.00 H new ATOM 0 HG2 LYS A 27 9.763 9.841 -3.782 1.00 0.00 H new ATOM 0 HG3 LYS A 27 11.035 8.713 -3.352 1.00 0.00 H new ATOM 0 HD2 LYS A 27 11.732 9.969 -5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 27 11.487 8.289 -5.802 1.00 0.00 H new ATOM 0 HE2 LYS A 27 9.147 10.227 -6.141 1.00 0.00 H new ATOM 0 HE3 LYS A 27 10.435 10.258 -7.329 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.536 8.455 -8.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.847 7.565 -6.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.358 8.358 -7.037 1.00 0.00 H new ATOM 243 N ILE A 28 6.409 8.221 -2.731 1.00 0.00 N ATOM 244 CA ILE A 28 5.333 9.157 -2.409 1.00 0.00 C ATOM 245 C ILE A 28 5.209 9.301 -0.896 1.00 0.00 C ATOM 246 O ILE A 28 4.715 10.313 -0.408 1.00 0.00 O ATOM 247 CB ILE A 28 3.981 8.646 -2.996 1.00 0.00 C ATOM 248 CG1 ILE A 28 4.121 8.415 -4.544 1.00 0.00 C ATOM 249 CG2 ILE A 28 2.836 9.680 -2.706 1.00 0.00 C ATOM 250 CD1 ILE A 28 2.875 7.697 -5.110 1.00 0.00 C ATOM 0 H ILE A 28 6.100 7.372 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 28 5.568 10.126 -2.848 1.00 0.00 H new ATOM 0 HB ILE A 28 3.726 7.700 -2.518 1.00 0.00 H new ATOM 0 HG12 ILE A 28 4.254 9.372 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 28 5.012 7.821 -4.748 1.00 0.00 H new ATOM 0 HG21 ILE A 28 1.898 9.311 -3.121 1.00 0.00 H new ATOM 0 HG22 ILE A 28 2.729 9.812 -1.629 1.00 0.00 H new ATOM 0 HG23 ILE A 28 3.084 10.637 -3.166 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.997 7.549 -6.183 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.759 6.730 -4.621 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.989 8.305 -4.926 1.00 0.00 H new ATOM 262 N ALA A 29 5.657 8.277 -0.166 1.00 0.00 N ATOM 263 CA ALA A 29 5.573 8.282 1.297 1.00 0.00 C ATOM 264 C ALA A 29 6.153 9.570 1.873 1.00 0.00 C ATOM 265 O ALA A 29 5.688 10.065 2.899 1.00 0.00 O ATOM 266 CB ALA A 29 6.323 7.059 1.866 1.00 0.00 C ATOM 0 H ALA A 29 6.080 7.437 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 29 4.523 8.227 1.584 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.258 7.066 2.954 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.872 6.144 1.482 1.00 0.00 H new ATOM 0 HB3 ALA A 29 7.370 7.101 1.565 1.00 0.00 H new ATOM 272 N ASP A 30 7.181 10.107 1.200 1.00 0.00 N ATOM 273 CA ASP A 30 7.839 11.342 1.641 1.00 0.00 C ATOM 274 C ASP A 30 7.105 12.571 1.124 1.00 0.00 C ATOM 275 O ASP A 30 7.086 13.613 1.778 1.00 0.00 O ATOM 276 CB ASP A 30 9.301 11.343 1.118 1.00 0.00 C ATOM 277 CG ASP A 30 10.020 10.071 1.569 1.00 0.00 C ATOM 278 OD1 ASP A 30 9.845 9.698 2.715 1.00 0.00 O ATOM 279 OD2 ASP A 30 10.737 9.491 0.765 1.00 0.00 O ATOM 0 H ASP A 30 7.573 9.704 0.349 1.00 0.00 H new ATOM 0 HA ASP A 30 7.827 11.379 2.730 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.306 11.407 0.030 1.00 0.00 H new ATOM 0 HB3 ASP A 30 9.829 12.221 1.492 1.00 0.00 H new ATOM 284 N ILE A 31 6.529 12.445 -0.074 1.00 0.00 N ATOM 285 CA ILE A 31 5.813 13.552 -0.721 1.00 0.00 C ATOM 286 C ILE A 31 4.496 13.820 -0.024 1.00 0.00 C ATOM 287 O ILE A 31 4.081 14.971 0.123 1.00 0.00 O ATOM 288 CB ILE A 31 5.548 13.245 -2.232 1.00 0.00 C ATOM 289 CG1 ILE A 31 6.884 12.794 -2.903 1.00 0.00 C ATOM 290 CG2 ILE A 31 4.993 14.536 -2.948 1.00 0.00 C ATOM 291 CD1 ILE A 31 6.700 12.463 -4.404 1.00 0.00 C ATOM 0 H ILE A 31 6.544 11.583 -0.620 1.00 0.00 H new ATOM 0 HA ILE A 31 6.445 14.437 -0.647 1.00 0.00 H new ATOM 0 HB ILE A 31 4.810 12.448 -2.322 1.00 0.00 H new ATOM 0 HG12 ILE A 31 7.628 13.583 -2.795 1.00 0.00 H new ATOM 0 HG13 ILE A 31 7.272 11.917 -2.384 1.00 0.00 H new ATOM 0 HG21 ILE A 31 4.810 14.318 -4.000 1.00 0.00 H new ATOM 0 HG22 ILE A 31 4.061 14.843 -2.473 1.00 0.00 H new ATOM 0 HG23 ILE A 31 5.724 15.340 -2.866 1.00 0.00 H new ATOM 0 HD11 ILE A 31 7.655 12.154 -4.828 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.977 11.655 -4.512 1.00 0.00 H new ATOM 0 HD13 ILE A 31 6.338 13.347 -4.930 1.00 0.00 H new ATOM 303 N GLN A 32 3.809 12.736 0.351 1.00 0.00 N ATOM 304 CA GLN A 32 2.493 12.851 0.972 1.00 0.00 C ATOM 305 C GLN A 32 2.559 13.731 2.211 1.00 0.00 C ATOM 306 O GLN A 32 1.872 14.744 2.299 1.00 0.00 O ATOM 307 CB GLN A 32 1.956 11.446 1.356 1.00 0.00 C ATOM 308 CG GLN A 32 0.461 11.525 1.788 1.00 0.00 C ATOM 309 CD GLN A 32 -0.059 10.149 2.185 1.00 0.00 C ATOM 310 OE1 GLN A 32 -1.010 9.596 1.487 1.00 0.00 O flip ATOM 311 NE2 GLN A 32 0.413 9.571 3.161 1.00 0.00 N flip ATOM 0 H GLN A 32 4.142 11.779 0.235 1.00 0.00 H new ATOM 0 HA GLN A 32 1.815 13.310 0.252 1.00 0.00 H new ATOM 0 HB2 GLN A 32 2.059 10.768 0.509 1.00 0.00 H new ATOM 0 HB3 GLN A 32 2.553 11.033 2.169 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.355 12.215 2.626 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.139 11.923 0.970 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.157 10.010 3.703 1.00 0.00 H new ATOM 0 HE22 GLN A 32 0.060 8.652 3.429 1.00 0.00 H new ATOM 320 N GLU A 33 3.404 13.314 3.163 1.00 0.00 N ATOM 321 CA GLU A 33 3.571 14.042 4.425 1.00 0.00 C ATOM 322 C GLU A 33 4.058 15.446 4.177 1.00 0.00 C ATOM 323 O GLU A 33 3.496 16.395 4.719 1.00 0.00 O ATOM 324 CB GLU A 33 4.584 13.315 5.328 1.00 0.00 C ATOM 325 CG GLU A 33 4.052 11.914 5.712 1.00 0.00 C ATOM 326 CD GLU A 33 5.072 11.191 6.591 1.00 0.00 C ATOM 327 OE1 GLU A 33 6.242 11.233 6.251 1.00 0.00 O ATOM 328 OE2 GLU A 33 4.673 10.619 7.593 1.00 0.00 O ATOM 0 H GLU A 33 3.981 12.477 3.082 1.00 0.00 H new ATOM 0 HA GLU A 33 2.599 14.083 4.917 1.00 0.00 H new ATOM 0 HB2 GLU A 33 5.539 13.220 4.811 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.766 13.902 6.228 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.104 12.008 6.242 1.00 0.00 H new ATOM 0 HG3 GLU A 33 3.857 11.331 4.812 1.00 0.00 H new ATOM 335 N ALA A 34 5.179 15.564 3.439 1.00 0.00 N ATOM 336 CA ALA A 34 5.816 16.861 3.229 1.00 0.00 C ATOM 337 C ALA A 34 4.776 17.905 2.936 1.00 0.00 C ATOM 338 O ALA A 34 4.633 18.809 3.716 1.00 0.00 O ATOM 339 CB ALA A 34 6.782 16.779 2.033 1.00 0.00 C ATOM 0 H ALA A 34 5.651 14.781 2.986 1.00 0.00 H new ATOM 0 HA ALA A 34 6.363 17.130 4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.255 17.749 1.880 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.548 16.030 2.234 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.228 16.500 1.137 1.00 0.00 H new ATOM 345 N LEU A 35 4.014 17.724 1.861 1.00 0.00 N ATOM 346 CA LEU A 35 2.951 18.672 1.528 1.00 0.00 C ATOM 347 C LEU A 35 1.812 18.651 2.569 1.00 0.00 C ATOM 348 O LEU A 35 1.429 19.682 3.114 1.00 0.00 O ATOM 349 CB LEU A 35 2.378 18.318 0.142 1.00 0.00 C ATOM 350 CG LEU A 35 1.187 19.281 -0.269 1.00 0.00 C ATOM 351 CD1 LEU A 35 1.701 20.696 -0.605 1.00 0.00 C ATOM 352 CD2 LEU A 35 0.381 18.680 -1.447 1.00 0.00 C ATOM 0 H LEU A 35 4.109 16.942 1.213 1.00 0.00 H new ATOM 0 HA LEU A 35 3.381 19.673 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 35 3.170 18.380 -0.605 1.00 0.00 H new ATOM 0 HB3 LEU A 35 2.026 17.287 0.148 1.00 0.00 H new ATOM 0 HG LEU A 35 0.517 19.374 0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.860 21.332 -0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 35 2.202 21.117 0.266 1.00 0.00 H new ATOM 0 HD13 LEU A 35 2.404 20.640 -1.436 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.432 19.356 -1.714 1.00 0.00 H new ATOM 0 HD22 LEU A 35 1.038 18.545 -2.306 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -0.032 17.715 -1.151 1.00 0.00 H new ATOM 364 N ALA A 36 1.205 17.472 2.759 1.00 0.00 N ATOM 365 CA ALA A 36 0.044 17.336 3.663 1.00 0.00 C ATOM 366 C ALA A 36 0.328 18.039 5.001 1.00 0.00 C ATOM 367 O ALA A 36 -0.371 18.974 5.395 1.00 0.00 O ATOM 368 CB ALA A 36 -0.258 15.849 3.890 1.00 0.00 C ATOM 0 H ALA A 36 1.491 16.604 2.306 1.00 0.00 H new ATOM 0 HA ALA A 36 -0.826 17.808 3.206 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -1.114 15.749 4.557 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -0.484 15.374 2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 36 0.610 15.366 4.339 1.00 0.00 H new ATOM 374 N HIS A 37 1.389 17.578 5.653 1.00 0.00 N ATOM 375 CA HIS A 37 1.840 18.141 6.933 1.00 0.00 C ATOM 376 C HIS A 37 2.638 19.424 6.705 1.00 0.00 C ATOM 377 O HIS A 37 3.431 19.804 7.567 1.00 0.00 O ATOM 378 CB HIS A 37 2.714 17.101 7.680 1.00 0.00 C ATOM 379 CG HIS A 37 1.900 15.865 7.939 1.00 0.00 C ATOM 380 ND1 HIS A 37 1.350 15.117 6.915 1.00 0.00 N ATOM 381 CD2 HIS A 37 1.521 15.254 9.103 1.00 0.00 C ATOM 382 CE1 HIS A 37 0.671 14.103 7.478 1.00 0.00 C ATOM 383 NE2 HIS A 37 0.744 14.140 8.811 1.00 0.00 N ATOM 0 H HIS A 37 1.964 16.806 5.316 1.00 0.00 H new ATOM 0 HA HIS A 37 0.966 18.382 7.538 1.00 0.00 H new ATOM 0 HB2 HIS A 37 3.593 16.854 7.086 1.00 0.00 H new ATOM 0 HB3 HIS A 37 3.072 17.518 8.621 1.00 0.00 H new ATOM 0 HD2 HIS A 37 1.785 15.587 10.096 1.00 0.00 H new ATOM 0 HE1 HIS A 37 0.132 13.351 6.921 1.00 0.00 H new ATOM 0 HE2 HIS A 37 0.320 13.490 9.473 1.00 0.00 H new ATOM 391 N ALA A 38 2.426 20.099 5.549 1.00 0.00 N ATOM 392 CA ALA A 38 3.142 21.371 5.237 1.00 0.00 C ATOM 393 C ALA A 38 2.237 22.569 5.421 1.00 0.00 C ATOM 394 O ALA A 38 2.630 23.508 6.093 1.00 0.00 O ATOM 395 CB ALA A 38 3.657 21.423 3.774 1.00 0.00 C ATOM 0 H ALA A 38 1.776 19.794 4.824 1.00 0.00 H new ATOM 0 HA ALA A 38 3.984 21.401 5.928 1.00 0.00 H new ATOM 0 HB1 ALA A 38 4.170 22.369 3.602 1.00 0.00 H new ATOM 0 HB2 ALA A 38 4.350 20.599 3.603 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.814 21.337 3.088 1.00 0.00 H new ATOM 401 N ASP A 39 1.057 22.532 4.748 1.00 0.00 N ATOM 402 CA ASP A 39 0.070 23.654 4.756 1.00 0.00 C ATOM 403 C ASP A 39 -0.010 24.352 6.125 1.00 0.00 C ATOM 404 O ASP A 39 -1.031 24.304 6.814 1.00 0.00 O ATOM 405 CB ASP A 39 -1.334 23.121 4.355 1.00 0.00 C ATOM 406 CG ASP A 39 -1.788 21.998 5.307 1.00 0.00 C ATOM 407 OD1 ASP A 39 -0.994 21.572 6.140 1.00 0.00 O ATOM 408 OD2 ASP A 39 -2.927 21.579 5.189 1.00 0.00 O ATOM 0 H ASP A 39 0.761 21.733 4.188 1.00 0.00 H new ATOM 0 HA ASP A 39 0.411 24.394 4.032 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.057 23.936 4.377 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.307 22.747 3.332 1.00 0.00 H new ATOM 413 N ALA A 40 1.076 25.040 6.482 1.00 0.00 N ATOM 414 CA ALA A 40 1.165 25.809 7.714 1.00 0.00 C ATOM 415 C ALA A 40 0.536 27.186 7.547 1.00 0.00 C ATOM 416 O ALA A 40 0.073 27.773 8.520 1.00 0.00 O ATOM 417 CB ALA A 40 2.645 25.956 8.140 1.00 0.00 C ATOM 0 H ALA A 40 1.923 25.076 5.916 1.00 0.00 H new ATOM 0 HA ALA A 40 0.616 25.274 8.489 1.00 0.00 H new ATOM 0 HB1 ALA A 40 2.702 26.533 9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 40 3.077 24.968 8.302 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.200 26.470 7.356 1.00 0.00 H new ATOM 423 N ASN A 41 0.590 27.717 6.298 1.00 0.00 N ATOM 424 CA ASN A 41 0.076 29.076 6.033 1.00 0.00 C ATOM 425 C ASN A 41 -1.362 29.051 5.588 1.00 0.00 C ATOM 426 O ASN A 41 -2.032 30.082 5.632 1.00 0.00 O ATOM 427 CB ASN A 41 0.965 29.744 4.952 1.00 0.00 C ATOM 428 CG ASN A 41 0.587 31.222 4.777 1.00 0.00 C ATOM 429 OD1 ASN A 41 0.383 31.693 3.658 1.00 0.00 O ATOM 430 ND2 ASN A 41 0.466 31.969 5.839 1.00 0.00 N ATOM 0 H ASN A 41 0.973 27.237 5.484 1.00 0.00 H new ATOM 0 HA ASN A 41 0.115 29.652 6.958 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.014 29.663 5.236 1.00 0.00 H new ATOM 0 HB3 ASN A 41 0.850 29.219 4.004 1.00 0.00 H new ATOM 0 HD21 ASN A 41 0.201 32.949 5.745 1.00 0.00 H new ATOM 0 HD22 ASN A 41 0.636 31.573 6.763 1.00 0.00 H new ATOM 437 N ALA A 42 -1.842 27.881 5.159 1.00 0.00 N ATOM 438 CA ALA A 42 -3.230 27.726 4.719 1.00 0.00 C ATOM 439 C ALA A 42 -3.559 28.603 3.495 1.00 0.00 C ATOM 440 O ALA A 42 -4.509 29.388 3.527 1.00 0.00 O ATOM 441 CB ALA A 42 -4.192 28.045 5.899 1.00 0.00 C ATOM 0 H ALA A 42 -1.288 27.026 5.107 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.366 26.690 4.407 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.224 27.929 5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.996 27.360 6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -4.031 29.070 6.233 1.00 0.00 H new ATOM 447 N ASP A 43 -2.785 28.452 2.404 1.00 0.00 N ATOM 448 CA ASP A 43 -3.020 29.225 1.159 1.00 0.00 C ATOM 449 C ASP A 43 -3.950 28.445 0.244 1.00 0.00 C ATOM 450 O ASP A 43 -4.603 29.029 -0.617 1.00 0.00 O ATOM 451 CB ASP A 43 -1.679 29.510 0.460 1.00 0.00 C ATOM 452 CG ASP A 43 -0.812 30.382 1.373 1.00 0.00 C ATOM 453 OD1 ASP A 43 -1.320 31.399 1.819 1.00 0.00 O ATOM 454 OD2 ASP A 43 0.327 30.023 1.619 1.00 0.00 O ATOM 0 H ASP A 43 -1.996 27.808 2.354 1.00 0.00 H new ATOM 0 HA ASP A 43 -3.489 30.178 1.403 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -1.166 28.575 0.236 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -1.851 30.015 -0.490 1.00 0.00 H new ATOM 459 N GLN A 44 -3.973 27.128 0.433 1.00 0.00 N ATOM 460 CA GLN A 44 -4.793 26.195 -0.341 1.00 0.00 C ATOM 461 C GLN A 44 -4.431 26.207 -1.819 1.00 0.00 C ATOM 462 O GLN A 44 -5.058 25.521 -2.620 1.00 0.00 O ATOM 463 CB GLN A 44 -6.292 26.565 -0.163 1.00 0.00 C ATOM 464 CG GLN A 44 -6.659 26.583 1.340 1.00 0.00 C ATOM 465 CD GLN A 44 -8.120 26.967 1.528 1.00 0.00 C ATOM 466 OE1 GLN A 44 -8.620 27.856 0.840 1.00 0.00 O ATOM 467 NE2 GLN A 44 -8.830 26.349 2.421 1.00 0.00 N ATOM 0 H GLN A 44 -3.408 26.667 1.146 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.604 25.189 0.032 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -6.489 27.542 -0.605 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -6.918 25.845 -0.690 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -6.476 25.601 1.777 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.020 27.291 1.868 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.409 25.613 2.988 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -9.810 26.599 2.556 1.00 0.00 H new ATOM 476 N HIS A 45 -3.390 26.970 -2.173 1.00 0.00 N ATOM 477 CA HIS A 45 -2.897 27.074 -3.561 1.00 0.00 C ATOM 478 C HIS A 45 -1.403 26.826 -3.494 1.00 0.00 C ATOM 479 O HIS A 45 -0.728 27.362 -2.613 1.00 0.00 O ATOM 480 CB HIS A 45 -3.167 28.472 -4.164 1.00 0.00 C ATOM 481 CG HIS A 45 -2.394 28.613 -5.456 1.00 0.00 C ATOM 482 ND1 HIS A 45 -1.615 29.721 -5.739 1.00 0.00 N ATOM 483 CD2 HIS A 45 -2.211 27.744 -6.498 1.00 0.00 C ATOM 484 CE1 HIS A 45 -0.997 29.485 -6.911 1.00 0.00 C ATOM 485 NE2 HIS A 45 -1.328 28.299 -7.414 1.00 0.00 N ATOM 0 H HIS A 45 -2.862 27.535 -1.508 1.00 0.00 H new ATOM 0 HA HIS A 45 -3.409 26.354 -4.199 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -4.233 28.602 -4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -2.868 29.249 -3.460 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -1.526 30.560 -5.166 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -2.681 26.776 -6.593 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -0.315 30.175 -7.386 1.00 0.00 H new ATOM 493 N LEU A 46 -0.911 25.994 -4.415 1.00 0.00 N ATOM 494 CA LEU A 46 0.504 25.623 -4.483 1.00 0.00 C ATOM 495 C LEU A 46 1.137 26.158 -5.743 1.00 0.00 C ATOM 496 O LEU A 46 0.985 25.583 -6.823 1.00 0.00 O ATOM 497 CB LEU A 46 0.626 24.061 -4.428 1.00 0.00 C ATOM 498 CG LEU A 46 0.582 23.533 -2.946 1.00 0.00 C ATOM 499 CD1 LEU A 46 1.844 24.030 -2.126 1.00 0.00 C ATOM 500 CD2 LEU A 46 -0.760 23.964 -2.227 1.00 0.00 C ATOM 0 H LEU A 46 -1.485 25.557 -5.137 1.00 0.00 H new ATOM 0 HA LEU A 46 1.031 26.060 -3.635 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.185 23.611 -5.000 1.00 0.00 H new ATOM 0 HB3 LEU A 46 1.559 23.751 -4.899 1.00 0.00 H new ATOM 0 HG LEU A 46 0.610 22.444 -2.982 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.788 23.650 -1.106 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.754 23.662 -2.600 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.860 25.120 -2.107 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.763 23.586 -1.205 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -0.831 25.052 -2.211 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -1.611 23.552 -2.769 1.00 0.00 H new ATOM 512 N ASP A 47 1.924 27.226 -5.578 1.00 0.00 N ATOM 513 CA ASP A 47 2.666 27.805 -6.669 1.00 0.00 C ATOM 514 C ASP A 47 3.900 26.937 -6.860 1.00 0.00 C ATOM 515 O ASP A 47 4.314 26.209 -5.945 1.00 0.00 O ATOM 516 CB ASP A 47 3.053 29.259 -6.315 1.00 0.00 C ATOM 517 CG ASP A 47 3.759 29.333 -4.948 1.00 0.00 C ATOM 518 OD1 ASP A 47 4.705 28.589 -4.746 1.00 0.00 O ATOM 519 OD2 ASP A 47 3.338 30.133 -4.121 1.00 0.00 O ATOM 0 H ASP A 47 2.055 27.701 -4.685 1.00 0.00 H new ATOM 0 HA ASP A 47 2.082 27.839 -7.589 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.708 29.662 -7.087 1.00 0.00 H new ATOM 0 HB3 ASP A 47 2.159 29.882 -6.299 1.00 0.00 H new ATOM 524 N PHE A 48 4.471 27.002 -8.052 1.00 0.00 N ATOM 525 CA PHE A 48 5.648 26.216 -8.400 1.00 0.00 C ATOM 526 C PHE A 48 6.763 26.308 -7.352 1.00 0.00 C ATOM 527 O PHE A 48 7.379 25.298 -7.017 1.00 0.00 O ATOM 528 CB PHE A 48 6.217 26.743 -9.746 1.00 0.00 C ATOM 529 CG PHE A 48 7.538 26.007 -10.070 1.00 0.00 C ATOM 530 CD1 PHE A 48 7.493 24.657 -10.438 1.00 0.00 C ATOM 531 CD2 PHE A 48 8.792 26.659 -9.961 1.00 0.00 C ATOM 532 CE1 PHE A 48 8.675 23.957 -10.710 1.00 0.00 C ATOM 533 CE2 PHE A 48 9.972 25.955 -10.238 1.00 0.00 C ATOM 534 CZ PHE A 48 9.916 24.605 -10.616 1.00 0.00 C ATOM 0 H PHE A 48 4.133 27.600 -8.806 1.00 0.00 H new ATOM 0 HA PHE A 48 5.331 25.175 -8.462 1.00 0.00 H new ATOM 0 HB2 PHE A 48 5.494 26.584 -10.546 1.00 0.00 H new ATOM 0 HB3 PHE A 48 6.392 27.817 -9.684 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.541 24.152 -10.513 1.00 0.00 H new ATOM 0 HD2 PHE A 48 8.838 27.697 -9.665 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.631 22.916 -10.993 1.00 0.00 H new ATOM 0 HE2 PHE A 48 10.927 26.453 -10.160 1.00 0.00 H new ATOM 0 HZ PHE A 48 10.826 24.066 -10.834 1.00 0.00 H new ATOM 544 N ASP A 49 7.039 27.522 -6.865 1.00 0.00 N ATOM 545 CA ASP A 49 8.120 27.733 -5.890 1.00 0.00 C ATOM 546 C ASP A 49 7.978 26.799 -4.702 1.00 0.00 C ATOM 547 O ASP A 49 8.895 26.048 -4.368 1.00 0.00 O ATOM 548 CB ASP A 49 8.083 29.202 -5.405 1.00 0.00 C ATOM 549 CG ASP A 49 8.186 30.149 -6.601 1.00 0.00 C ATOM 550 OD1 ASP A 49 8.986 29.871 -7.481 1.00 0.00 O ATOM 551 OD2 ASP A 49 7.467 31.135 -6.623 1.00 0.00 O ATOM 0 H ASP A 49 6.535 28.369 -7.126 1.00 0.00 H new ATOM 0 HA ASP A 49 9.073 27.520 -6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 49 7.158 29.391 -4.860 1.00 0.00 H new ATOM 0 HB3 ASP A 49 8.905 29.386 -4.713 1.00 0.00 H new ATOM 556 N GLU A 50 6.805 26.863 -4.061 1.00 0.00 N ATOM 557 CA GLU A 50 6.543 26.032 -2.895 1.00 0.00 C ATOM 558 C GLU A 50 6.786 24.564 -3.227 1.00 0.00 C ATOM 559 O GLU A 50 7.382 23.840 -2.445 1.00 0.00 O ATOM 560 CB GLU A 50 5.080 26.222 -2.403 1.00 0.00 C ATOM 561 CG GLU A 50 4.827 25.446 -1.062 1.00 0.00 C ATOM 562 CD GLU A 50 5.686 26.018 0.072 1.00 0.00 C ATOM 563 OE1 GLU A 50 5.887 27.222 0.075 1.00 0.00 O ATOM 564 OE2 GLU A 50 6.114 25.253 0.921 1.00 0.00 O ATOM 0 H GLU A 50 6.035 27.475 -4.331 1.00 0.00 H new ATOM 0 HA GLU A 50 7.223 26.337 -2.100 1.00 0.00 H new ATOM 0 HB2 GLU A 50 4.878 27.283 -2.256 1.00 0.00 H new ATOM 0 HB3 GLU A 50 4.388 25.868 -3.167 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.773 25.511 -0.793 1.00 0.00 H new ATOM 0 HG3 GLU A 50 5.056 24.389 -1.200 1.00 0.00 H new ATOM 571 N TRP A 51 6.312 24.145 -4.408 1.00 0.00 N ATOM 572 CA TRP A 51 6.460 22.750 -4.830 1.00 0.00 C ATOM 573 C TRP A 51 7.920 22.388 -4.987 1.00 0.00 C ATOM 574 O TRP A 51 8.400 21.413 -4.394 1.00 0.00 O ATOM 575 CB TRP A 51 5.705 22.527 -6.160 1.00 0.00 C ATOM 576 CG TRP A 51 5.646 21.053 -6.478 1.00 0.00 C ATOM 577 CD1 TRP A 51 6.232 20.437 -7.538 1.00 0.00 C ATOM 578 CD2 TRP A 51 5.005 20.002 -5.697 1.00 0.00 C ATOM 579 NE1 TRP A 51 5.954 19.089 -7.476 1.00 0.00 N ATOM 580 CE2 TRP A 51 5.206 18.773 -6.354 1.00 0.00 C ATOM 581 CE3 TRP A 51 4.262 19.995 -4.497 1.00 0.00 C ATOM 582 CZ2 TRP A 51 4.701 17.581 -5.845 1.00 0.00 C ATOM 583 CZ3 TRP A 51 3.763 18.792 -3.981 1.00 0.00 C ATOM 584 CH2 TRP A 51 3.982 17.588 -4.651 1.00 0.00 C ATOM 0 H TRP A 51 5.830 24.744 -5.078 1.00 0.00 H new ATOM 0 HA TRP A 51 6.033 22.104 -4.062 1.00 0.00 H new ATOM 0 HB2 TRP A 51 4.696 22.933 -6.087 1.00 0.00 H new ATOM 0 HB3 TRP A 51 6.206 23.062 -6.967 1.00 0.00 H new ATOM 0 HD1 TRP A 51 6.819 20.924 -8.303 1.00 0.00 H new ATOM 0 HE1 TRP A 51 6.261 18.408 -8.171 1.00 0.00 H new ATOM 0 HE3 TRP A 51 4.077 20.922 -3.974 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 4.865 16.653 -6.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 3.204 18.797 -3.057 1.00 0.00 H new ATOM 0 HH2 TRP A 51 3.596 16.664 -4.246 1.00 0.00 H new ATOM 595 N ARG A 52 8.612 23.171 -5.812 1.00 0.00 N ATOM 596 CA ARG A 52 10.011 22.929 -6.080 1.00 0.00 C ATOM 597 C ARG A 52 10.790 22.766 -4.790 1.00 0.00 C ATOM 598 O ARG A 52 11.473 21.792 -4.614 1.00 0.00 O ATOM 599 CB ARG A 52 10.626 24.122 -6.878 1.00 0.00 C ATOM 600 CG ARG A 52 12.167 23.907 -7.112 1.00 0.00 C ATOM 601 CD ARG A 52 12.727 24.983 -8.040 1.00 0.00 C ATOM 602 NE ARG A 52 12.424 26.315 -7.494 1.00 0.00 N ATOM 603 CZ ARG A 52 12.749 27.436 -8.148 1.00 0.00 C ATOM 604 NH1 ARG A 52 13.352 27.360 -9.306 1.00 0.00 N ATOM 605 NH2 ARG A 52 12.461 28.601 -7.637 1.00 0.00 N ATOM 0 H ARG A 52 8.219 23.975 -6.301 1.00 0.00 H new ATOM 0 HA ARG A 52 10.078 22.012 -6.665 1.00 0.00 H new ATOM 0 HB2 ARG A 52 10.119 24.222 -7.838 1.00 0.00 H new ATOM 0 HB3 ARG A 52 10.463 25.052 -6.333 1.00 0.00 H new ATOM 0 HG2 ARG A 52 12.692 23.934 -6.157 1.00 0.00 H new ATOM 0 HG3 ARG A 52 12.340 22.921 -7.544 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.805 24.860 -8.147 1.00 0.00 H new ATOM 0 HD3 ARG A 52 12.294 24.880 -9.035 1.00 0.00 H new ATOM 0 HE ARG A 52 11.953 26.386 -6.592 1.00 0.00 H new ATOM 0 HH11 ARG A 52 13.573 26.449 -9.707 1.00 0.00 H new ATOM 0 HH12 ARG A 52 13.602 28.212 -9.808 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.987 28.659 -6.736 1.00 0.00 H new ATOM 0 HH22 ARG A 52 12.710 29.454 -8.138 1.00 0.00 H new ATOM 619 N GLN A 53 10.651 23.738 -3.898 1.00 0.00 N ATOM 620 CA GLN A 53 11.386 23.712 -2.632 1.00 0.00 C ATOM 621 C GLN A 53 10.971 22.559 -1.739 1.00 0.00 C ATOM 622 O GLN A 53 11.810 21.897 -1.116 1.00 0.00 O ATOM 623 CB GLN A 53 11.184 25.057 -1.874 1.00 0.00 C ATOM 624 CG GLN A 53 12.204 25.204 -0.692 1.00 0.00 C ATOM 625 CD GLN A 53 13.627 25.374 -1.240 1.00 0.00 C ATOM 626 OE1 GLN A 53 13.825 26.111 -2.207 1.00 0.00 O ATOM 627 NE2 GLN A 53 14.618 24.716 -0.707 1.00 0.00 N ATOM 0 H GLN A 53 10.044 24.548 -4.022 1.00 0.00 H new ATOM 0 HA GLN A 53 12.439 23.571 -2.877 1.00 0.00 H new ATOM 0 HB2 GLN A 53 11.305 25.889 -2.567 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.166 25.110 -1.487 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.938 26.064 -0.077 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.156 24.325 -0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 53 14.453 24.106 0.094 1.00 0.00 H new ATOM 0 HE22 GLN A 53 15.558 24.811 -1.091 1.00 0.00 H new ATOM 636 N GLU A 54 9.658 22.337 -1.673 1.00 0.00 N ATOM 637 CA GLU A 54 9.117 21.286 -0.821 1.00 0.00 C ATOM 638 C GLU A 54 9.661 19.932 -1.222 1.00 0.00 C ATOM 639 O GLU A 54 10.182 19.182 -0.392 1.00 0.00 O ATOM 640 CB GLU A 54 7.560 21.262 -0.907 1.00 0.00 C ATOM 641 CG GLU A 54 6.938 20.220 0.072 1.00 0.00 C ATOM 642 CD GLU A 54 7.230 20.625 1.523 1.00 0.00 C ATOM 643 OE1 GLU A 54 6.540 21.505 2.011 1.00 0.00 O ATOM 644 OE2 GLU A 54 8.161 20.088 2.100 1.00 0.00 O ATOM 0 H GLU A 54 8.959 22.866 -2.194 1.00 0.00 H new ATOM 0 HA GLU A 54 9.420 21.500 0.204 1.00 0.00 H new ATOM 0 HB2 GLU A 54 7.169 22.253 -0.678 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.257 21.027 -1.927 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.862 20.156 -0.087 1.00 0.00 H new ATOM 0 HG3 GLU A 54 7.349 19.230 -0.128 1.00 0.00 H new ATOM 651 N LEU A 55 9.481 19.618 -2.498 1.00 0.00 N ATOM 652 CA LEU A 55 9.891 18.327 -3.025 1.00 0.00 C ATOM 653 C LEU A 55 11.382 18.233 -3.159 1.00 0.00 C ATOM 654 O LEU A 55 11.957 17.169 -3.061 1.00 0.00 O ATOM 655 CB LEU A 55 9.216 18.056 -4.420 1.00 0.00 C ATOM 656 CG LEU A 55 8.422 16.696 -4.419 1.00 0.00 C ATOM 657 CD1 LEU A 55 7.830 16.417 -5.834 1.00 0.00 C ATOM 658 CD2 LEU A 55 9.341 15.483 -3.964 1.00 0.00 C ATOM 0 H LEU A 55 9.054 20.240 -3.185 1.00 0.00 H new ATOM 0 HA LEU A 55 9.563 17.569 -2.313 1.00 0.00 H new ATOM 0 HB2 LEU A 55 8.539 18.874 -4.663 1.00 0.00 H new ATOM 0 HB3 LEU A 55 9.980 18.033 -5.197 1.00 0.00 H new ATOM 0 HG LEU A 55 7.608 16.787 -3.699 1.00 0.00 H new ATOM 0 HD11 LEU A 55 7.283 15.474 -5.820 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.153 17.225 -6.111 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.639 16.357 -6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.759 14.561 -3.976 1.00 0.00 H new ATOM 0 HD22 LEU A 55 10.184 15.388 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.711 15.666 -2.955 1.00 0.00 H new ATOM 670 N LYS A 56 12.017 19.352 -3.437 1.00 0.00 N ATOM 671 CA LYS A 56 13.458 19.344 -3.645 1.00 0.00 C ATOM 672 C LYS A 56 14.216 18.698 -2.498 1.00 0.00 C ATOM 673 O LYS A 56 15.130 17.903 -2.724 1.00 0.00 O ATOM 674 CB LYS A 56 13.956 20.778 -3.811 1.00 0.00 C ATOM 675 CG LYS A 56 15.488 20.840 -4.094 1.00 0.00 C ATOM 676 CD LYS A 56 15.946 22.291 -4.392 1.00 0.00 C ATOM 677 CE LYS A 56 15.881 23.177 -3.128 1.00 0.00 C ATOM 678 NZ LYS A 56 16.428 24.503 -3.449 1.00 0.00 N ATOM 0 H LYS A 56 11.572 20.266 -3.524 1.00 0.00 H new ATOM 0 HA LYS A 56 13.645 18.754 -4.542 1.00 0.00 H new ATOM 0 HB2 LYS A 56 13.417 21.255 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 56 13.732 21.346 -2.908 1.00 0.00 H new ATOM 0 HG2 LYS A 56 16.035 20.453 -3.234 1.00 0.00 H new ATOM 0 HG3 LYS A 56 15.730 20.198 -4.941 1.00 0.00 H new ATOM 0 HD2 LYS A 56 16.965 22.280 -4.777 1.00 0.00 H new ATOM 0 HD3 LYS A 56 15.315 22.720 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 56 14.851 23.267 -2.783 1.00 0.00 H new ATOM 0 HE3 LYS A 56 16.449 22.721 -2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 17.332 24.635 -2.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 16.583 24.575 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 15.756 25.238 -3.148 1.00 0.00 H new ATOM 692 N CYS A 57 13.859 19.065 -1.264 1.00 0.00 N ATOM 693 CA CYS A 57 14.549 18.539 -0.086 1.00 0.00 C ATOM 694 C CYS A 57 14.463 17.019 -0.010 1.00 0.00 C ATOM 695 O CYS A 57 15.093 16.405 0.844 1.00 0.00 O ATOM 696 CB CYS A 57 13.938 19.175 1.180 1.00 0.00 C ATOM 697 SG CYS A 57 14.913 18.698 2.633 1.00 0.00 S ATOM 0 H CYS A 57 13.103 19.718 -1.057 1.00 0.00 H new ATOM 0 HA CYS A 57 15.605 18.797 -0.161 1.00 0.00 H new ATOM 0 HB2 CYS A 57 13.921 20.260 1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 57 12.905 18.849 1.300 1.00 0.00 H new ATOM 0 HG CYS A 57 15.288 17.459 2.516 1.00 0.00 H new ATOM 703 N ARG A 58 13.674 16.414 -0.923 1.00 0.00 N ATOM 704 CA ARG A 58 13.490 14.946 -0.979 1.00 0.00 C ATOM 705 C ARG A 58 14.442 14.317 -1.974 1.00 0.00 C ATOM 706 O ARG A 58 14.324 13.128 -2.265 1.00 0.00 O ATOM 707 CB ARG A 58 11.978 14.588 -1.311 1.00 0.00 C ATOM 708 CG ARG A 58 11.186 14.205 -0.032 1.00 0.00 C ATOM 709 CD ARG A 58 11.029 15.430 0.886 1.00 0.00 C ATOM 710 NE ARG A 58 10.393 15.026 2.132 1.00 0.00 N ATOM 711 CZ ARG A 58 10.150 15.899 3.113 1.00 0.00 C ATOM 712 NH1 ARG A 58 10.483 17.159 2.966 1.00 0.00 N ATOM 713 NH2 ARG A 58 9.584 15.493 4.206 1.00 0.00 N ATOM 0 H ARG A 58 13.151 16.922 -1.636 1.00 0.00 H new ATOM 0 HA ARG A 58 13.725 14.531 0.001 1.00 0.00 H new ATOM 0 HB2 ARG A 58 11.500 15.440 -1.794 1.00 0.00 H new ATOM 0 HB3 ARG A 58 11.947 13.761 -2.020 1.00 0.00 H new ATOM 0 HG2 ARG A 58 10.204 13.819 -0.306 1.00 0.00 H new ATOM 0 HG3 ARG A 58 11.705 13.407 0.500 1.00 0.00 H new ATOM 0 HD2 ARG A 58 12.004 15.872 1.090 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.430 16.194 0.391 1.00 0.00 H new ATOM 0 HE ARG A 58 10.126 14.050 2.259 1.00 0.00 H new ATOM 0 HH11 ARG A 58 10.927 17.472 2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 58 10.298 17.826 3.715 1.00 0.00 H new ATOM 0 HH21 ARG A 58 9.327 14.512 4.313 1.00 0.00 H new ATOM 0 HH22 ARG A 58 9.396 16.155 4.959 1.00 0.00 H new ATOM 727 N GLY A 59 15.394 15.097 -2.479 1.00 0.00 N ATOM 728 CA GLY A 59 16.391 14.593 -3.432 1.00 0.00 C ATOM 729 C GLY A 59 15.954 14.848 -4.853 1.00 0.00 C ATOM 730 O GLY A 59 16.773 14.830 -5.770 1.00 0.00 O ATOM 0 H GLY A 59 15.500 16.084 -2.246 1.00 0.00 H new ATOM 0 HA2 GLY A 59 17.351 15.076 -3.250 1.00 0.00 H new ATOM 0 HA3 GLY A 59 16.539 13.524 -3.279 1.00 0.00 H new ATOM 734 N HIS A 60 14.647 15.101 -5.049 1.00 0.00 N ATOM 735 CA HIS A 60 14.110 15.368 -6.393 1.00 0.00 C ATOM 736 C HIS A 60 14.716 16.663 -6.933 1.00 0.00 C ATOM 737 O HIS A 60 14.818 17.640 -6.210 1.00 0.00 O ATOM 738 CB HIS A 60 12.570 15.506 -6.331 1.00 0.00 C ATOM 739 CG HIS A 60 11.982 14.237 -5.793 1.00 0.00 C ATOM 740 ND1 HIS A 60 12.516 13.585 -4.698 1.00 0.00 N ATOM 741 CD2 HIS A 60 10.891 13.506 -6.171 1.00 0.00 C ATOM 742 CE1 HIS A 60 11.755 12.510 -4.458 1.00 0.00 C ATOM 743 NE2 HIS A 60 10.748 12.412 -5.327 1.00 0.00 N ATOM 0 H HIS A 60 13.952 15.126 -4.303 1.00 0.00 H new ATOM 0 HA HIS A 60 14.367 14.539 -7.052 1.00 0.00 H new ATOM 0 HB2 HIS A 60 12.294 16.347 -5.695 1.00 0.00 H new ATOM 0 HB3 HIS A 60 12.171 15.713 -7.324 1.00 0.00 H new ATOM 0 HD2 HIS A 60 10.240 13.743 -6.999 1.00 0.00 H new ATOM 0 HE1 HIS A 60 11.935 11.807 -3.658 1.00 0.00 H new ATOM 0 HE2 HIS A 60 10.029 11.690 -5.364 1.00 0.00 H new ATOM 751 N ALA A 61 15.127 16.658 -8.200 1.00 0.00 N ATOM 752 CA ALA A 61 15.725 17.838 -8.838 1.00 0.00 C ATOM 753 C ALA A 61 14.631 18.621 -9.550 1.00 0.00 C ATOM 754 O ALA A 61 13.570 18.078 -9.856 1.00 0.00 O ATOM 755 CB ALA A 61 16.800 17.382 -9.845 1.00 0.00 C ATOM 0 H ALA A 61 15.057 15.845 -8.812 1.00 0.00 H new ATOM 0 HA ALA A 61 16.193 18.476 -8.089 1.00 0.00 H new ATOM 0 HB1 ALA A 61 17.246 18.255 -10.321 1.00 0.00 H new ATOM 0 HB2 ALA A 61 17.573 16.819 -9.322 1.00 0.00 H new ATOM 0 HB3 ALA A 61 16.342 16.749 -10.605 1.00 0.00 H new ATOM 761 N ASP A 62 14.907 19.899 -9.812 1.00 0.00 N ATOM 762 CA ASP A 62 13.957 20.786 -10.493 1.00 0.00 C ATOM 763 C ASP A 62 13.551 20.209 -11.855 1.00 0.00 C ATOM 764 O ASP A 62 12.500 20.541 -12.399 1.00 0.00 O ATOM 765 CB ASP A 62 14.604 22.175 -10.698 1.00 0.00 C ATOM 766 CG ASP A 62 15.124 22.732 -9.370 1.00 0.00 C ATOM 767 OD1 ASP A 62 14.587 22.373 -8.335 1.00 0.00 O ATOM 768 OD2 ASP A 62 16.058 23.512 -9.409 1.00 0.00 O ATOM 0 H ASP A 62 15.788 20.348 -9.561 1.00 0.00 H new ATOM 0 HA ASP A 62 13.065 20.878 -9.873 1.00 0.00 H new ATOM 0 HB2 ASP A 62 15.424 22.098 -11.412 1.00 0.00 H new ATOM 0 HB3 ASP A 62 13.874 22.862 -11.125 1.00 0.00 H new ATOM 773 N ALA A 63 14.401 19.327 -12.380 1.00 0.00 N ATOM 774 CA ALA A 63 14.143 18.655 -13.659 1.00 0.00 C ATOM 775 C ALA A 63 13.166 17.475 -13.533 1.00 0.00 C ATOM 776 O ALA A 63 12.277 17.293 -14.360 1.00 0.00 O ATOM 777 CB ALA A 63 15.475 18.131 -14.249 1.00 0.00 C ATOM 0 H ALA A 63 15.280 19.058 -11.938 1.00 0.00 H new ATOM 0 HA ALA A 63 13.685 19.396 -14.314 1.00 0.00 H new ATOM 0 HB1 ALA A 63 15.281 17.632 -15.199 1.00 0.00 H new ATOM 0 HB2 ALA A 63 16.155 18.967 -14.410 1.00 0.00 H new ATOM 0 HB3 ALA A 63 15.928 17.424 -13.554 1.00 0.00 H new ATOM 783 N ASP A 64 13.379 16.646 -12.499 1.00 0.00 N ATOM 784 CA ASP A 64 12.571 15.438 -12.284 1.00 0.00 C ATOM 785 C ASP A 64 11.124 15.737 -11.948 1.00 0.00 C ATOM 786 O ASP A 64 10.223 15.015 -12.373 1.00 0.00 O ATOM 787 CB ASP A 64 13.192 14.599 -11.133 1.00 0.00 C ATOM 788 CG ASP A 64 14.628 14.193 -11.470 1.00 0.00 C ATOM 789 OD1 ASP A 64 14.885 13.902 -12.628 1.00 0.00 O ATOM 790 OD2 ASP A 64 15.444 14.173 -10.565 1.00 0.00 O ATOM 0 H ASP A 64 14.106 16.792 -11.798 1.00 0.00 H new ATOM 0 HA ASP A 64 12.577 14.886 -13.224 1.00 0.00 H new ATOM 0 HB2 ASP A 64 13.180 15.177 -10.209 1.00 0.00 H new ATOM 0 HB3 ASP A 64 12.589 13.708 -10.960 1.00 0.00 H new ATOM 795 N ILE A 65 10.894 16.796 -11.161 1.00 0.00 N ATOM 796 CA ILE A 65 9.535 17.159 -10.743 1.00 0.00 C ATOM 797 C ILE A 65 8.641 17.436 -11.942 1.00 0.00 C ATOM 798 O ILE A 65 7.412 17.360 -11.840 1.00 0.00 O ATOM 799 CB ILE A 65 9.609 18.392 -9.793 1.00 0.00 C ATOM 800 CG1 ILE A 65 10.345 19.568 -10.514 1.00 0.00 C ATOM 801 CG2 ILE A 65 10.385 18.008 -8.489 1.00 0.00 C ATOM 802 CD1 ILE A 65 10.290 20.868 -9.686 1.00 0.00 C ATOM 0 H ILE A 65 11.625 17.411 -10.804 1.00 0.00 H new ATOM 0 HA ILE A 65 9.089 16.321 -10.208 1.00 0.00 H new ATOM 0 HB ILE A 65 8.598 18.705 -9.532 1.00 0.00 H new ATOM 0 HG12 ILE A 65 11.385 19.293 -10.691 1.00 0.00 H new ATOM 0 HG13 ILE A 65 9.890 19.738 -11.490 1.00 0.00 H new ATOM 0 HG21 ILE A 65 10.435 18.873 -7.827 1.00 0.00 H new ATOM 0 HG22 ILE A 65 9.866 17.193 -7.983 1.00 0.00 H new ATOM 0 HG23 ILE A 65 11.395 17.690 -8.747 1.00 0.00 H new ATOM 0 HD11 ILE A 65 10.812 21.662 -10.220 1.00 0.00 H new ATOM 0 HD12 ILE A 65 9.251 21.157 -9.532 1.00 0.00 H new ATOM 0 HD13 ILE A 65 10.768 20.705 -8.720 1.00 0.00 H new ATOM 814 N GLU A 66 9.259 17.799 -13.079 1.00 0.00 N ATOM 815 CA GLU A 66 8.498 18.119 -14.286 1.00 0.00 C ATOM 816 C GLU A 66 7.644 16.930 -14.723 1.00 0.00 C ATOM 817 O GLU A 66 6.659 17.095 -15.440 1.00 0.00 O ATOM 818 CB GLU A 66 9.482 18.492 -15.423 1.00 0.00 C ATOM 819 CG GLU A 66 10.326 19.732 -15.026 1.00 0.00 C ATOM 820 CD GLU A 66 11.302 20.097 -16.151 1.00 0.00 C ATOM 821 OE1 GLU A 66 11.896 19.186 -16.705 1.00 0.00 O ATOM 822 OE2 GLU A 66 11.436 21.275 -16.446 1.00 0.00 O ATOM 0 H GLU A 66 10.271 17.876 -13.182 1.00 0.00 H new ATOM 0 HA GLU A 66 7.836 18.958 -14.070 1.00 0.00 H new ATOM 0 HB2 GLU A 66 10.140 17.649 -15.634 1.00 0.00 H new ATOM 0 HB3 GLU A 66 8.928 18.700 -16.338 1.00 0.00 H new ATOM 0 HG2 GLU A 66 9.668 20.576 -14.818 1.00 0.00 H new ATOM 0 HG3 GLU A 66 10.879 19.525 -14.109 1.00 0.00 H new ATOM 829 N ALA A 67 8.029 15.735 -14.262 1.00 0.00 N ATOM 830 CA ALA A 67 7.302 14.507 -14.593 1.00 0.00 C ATOM 831 C ALA A 67 6.091 14.357 -13.683 1.00 0.00 C ATOM 832 O ALA A 67 5.021 13.939 -14.128 1.00 0.00 O ATOM 833 CB ALA A 67 8.233 13.285 -14.421 1.00 0.00 C ATOM 0 H ALA A 67 8.839 15.593 -13.659 1.00 0.00 H new ATOM 0 HA ALA A 67 6.966 14.563 -15.629 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.688 12.374 -14.668 1.00 0.00 H new ATOM 0 HB2 ALA A 67 9.092 13.385 -15.085 1.00 0.00 H new ATOM 0 HB3 ALA A 67 8.577 13.232 -13.388 1.00 0.00 H new ATOM 839 N VAL A 68 6.271 14.698 -12.396 1.00 0.00 N ATOM 840 CA VAL A 68 5.190 14.585 -11.412 1.00 0.00 C ATOM 841 C VAL A 68 4.066 15.542 -11.763 1.00 0.00 C ATOM 842 O VAL A 68 2.925 15.321 -11.394 1.00 0.00 O ATOM 843 CB VAL A 68 5.713 14.879 -9.973 1.00 0.00 C ATOM 844 CG1 VAL A 68 4.580 14.640 -8.909 1.00 0.00 C ATOM 845 CG2 VAL A 68 6.933 13.961 -9.672 1.00 0.00 C ATOM 0 H VAL A 68 7.150 15.051 -12.018 1.00 0.00 H new ATOM 0 HA VAL A 68 4.811 13.563 -11.435 1.00 0.00 H new ATOM 0 HB VAL A 68 6.018 15.924 -9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.967 14.851 -7.912 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.739 15.300 -9.119 1.00 0.00 H new ATOM 0 HG13 VAL A 68 4.248 13.603 -8.957 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.302 14.164 -8.666 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.629 12.917 -9.743 1.00 0.00 H new ATOM 0 HG23 VAL A 68 7.724 14.159 -10.395 1.00 0.00 H new ATOM 855 N PHE A 69 4.401 16.628 -12.453 1.00 0.00 N ATOM 856 CA PHE A 69 3.397 17.635 -12.827 1.00 0.00 C ATOM 857 C PHE A 69 2.326 17.020 -13.721 1.00 0.00 C ATOM 858 O PHE A 69 1.164 16.897 -13.337 1.00 0.00 O ATOM 859 CB PHE A 69 4.105 18.822 -13.574 1.00 0.00 C ATOM 860 CG PHE A 69 4.215 20.023 -12.624 1.00 0.00 C ATOM 861 CD1 PHE A 69 3.055 20.767 -12.333 1.00 0.00 C ATOM 862 CD2 PHE A 69 5.434 20.369 -12.014 1.00 0.00 C ATOM 863 CE1 PHE A 69 3.113 21.842 -11.457 1.00 0.00 C ATOM 864 CE2 PHE A 69 5.487 21.453 -11.135 1.00 0.00 C ATOM 865 CZ PHE A 69 4.323 22.190 -10.856 1.00 0.00 C ATOM 0 H PHE A 69 5.349 16.838 -12.765 1.00 0.00 H new ATOM 0 HA PHE A 69 2.915 18.007 -11.923 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.096 18.517 -13.910 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.538 19.097 -14.463 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.116 20.500 -12.794 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.326 19.798 -12.225 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.220 22.410 -11.240 1.00 0.00 H new ATOM 0 HE2 PHE A 69 6.423 21.725 -10.669 1.00 0.00 H new ATOM 0 HZ PHE A 69 4.365 23.027 -10.175 1.00 0.00 H new ATOM 875 N ALA A 70 2.756 16.610 -14.909 1.00 0.00 N ATOM 876 CA ALA A 70 1.850 16.002 -15.897 1.00 0.00 C ATOM 877 C ALA A 70 1.045 14.867 -15.288 1.00 0.00 C ATOM 878 O ALA A 70 0.043 14.435 -15.858 1.00 0.00 O ATOM 879 CB ALA A 70 2.658 15.473 -17.112 1.00 0.00 C ATOM 0 H ALA A 70 3.725 16.684 -15.218 1.00 0.00 H new ATOM 0 HA ALA A 70 1.156 16.775 -16.228 1.00 0.00 H new ATOM 0 HB1 ALA A 70 1.976 15.026 -17.835 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.193 16.299 -17.580 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.373 14.722 -16.775 1.00 0.00 H new ATOM 885 N LYS A 71 1.527 14.364 -14.140 1.00 0.00 N ATOM 886 CA LYS A 71 0.852 13.229 -13.496 1.00 0.00 C ATOM 887 C LYS A 71 -0.632 13.553 -13.270 1.00 0.00 C ATOM 888 O LYS A 71 -1.496 12.843 -13.774 1.00 0.00 O ATOM 889 CB LYS A 71 1.530 12.947 -12.142 1.00 0.00 C ATOM 890 CG LYS A 71 1.081 11.579 -11.578 1.00 0.00 C ATOM 891 CD LYS A 71 1.815 11.268 -10.248 1.00 0.00 C ATOM 892 CE LYS A 71 1.366 9.899 -9.713 1.00 0.00 C ATOM 893 NZ LYS A 71 2.082 9.622 -8.456 1.00 0.00 N ATOM 0 H LYS A 71 2.353 14.712 -13.653 1.00 0.00 H new ATOM 0 HA LYS A 71 0.925 12.352 -14.140 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.613 12.958 -12.263 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.281 13.737 -11.434 1.00 0.00 H new ATOM 0 HG2 LYS A 71 0.004 11.584 -11.412 1.00 0.00 H new ATOM 0 HG3 LYS A 71 1.288 10.794 -12.306 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.893 11.270 -10.408 1.00 0.00 H new ATOM 0 HD3 LYS A 71 1.600 12.044 -9.513 1.00 0.00 H new ATOM 0 HE2 LYS A 71 0.289 9.895 -9.543 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.576 9.120 -10.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.786 8.697 -8.084 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.106 9.611 -8.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.860 10.362 -7.760 1.00 0.00 H new ATOM 907 N TYR A 72 -0.913 14.649 -12.532 1.00 0.00 N ATOM 908 CA TYR A 72 -2.303 15.085 -12.263 1.00 0.00 C ATOM 909 C TYR A 72 -2.551 16.382 -13.001 1.00 0.00 C ATOM 910 O TYR A 72 -3.647 16.600 -13.497 1.00 0.00 O ATOM 911 CB TYR A 72 -2.523 15.303 -10.751 1.00 0.00 C ATOM 912 CG TYR A 72 -2.373 13.956 -10.031 1.00 0.00 C ATOM 913 CD1 TYR A 72 -3.380 12.979 -10.182 1.00 0.00 C ATOM 914 CD2 TYR A 72 -1.252 13.675 -9.217 1.00 0.00 C ATOM 915 CE1 TYR A 72 -3.268 11.751 -9.532 1.00 0.00 C ATOM 916 CE2 TYR A 72 -1.154 12.439 -8.568 1.00 0.00 C ATOM 917 CZ TYR A 72 -2.157 11.484 -8.725 1.00 0.00 C ATOM 918 OH TYR A 72 -2.044 10.274 -8.083 1.00 0.00 O ATOM 0 H TYR A 72 -0.200 15.246 -12.113 1.00 0.00 H new ATOM 0 HA TYR A 72 -2.995 14.314 -12.603 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -1.800 16.021 -10.364 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.514 15.720 -10.570 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.240 13.183 -10.803 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.473 14.413 -9.096 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.040 11.005 -9.652 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -0.299 12.225 -7.944 1.00 0.00 H new ATOM 0 HH TYR A 72 -2.571 9.600 -8.561 1.00 0.00 H new ATOM 928 N ASP A 73 -1.543 17.270 -12.968 1.00 0.00 N ATOM 929 CA ASP A 73 -1.664 18.601 -13.594 1.00 0.00 C ATOM 930 C ASP A 73 -1.892 18.459 -15.110 1.00 0.00 C ATOM 931 O ASP A 73 -1.071 18.893 -15.926 1.00 0.00 O ATOM 932 CB ASP A 73 -0.402 19.463 -13.335 1.00 0.00 C ATOM 933 CG ASP A 73 -0.644 20.917 -13.773 1.00 0.00 C ATOM 934 OD1 ASP A 73 -1.327 21.620 -13.050 1.00 0.00 O ATOM 935 OD2 ASP A 73 -0.156 21.292 -14.830 1.00 0.00 O ATOM 0 H ASP A 73 -0.644 17.095 -12.520 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.521 19.103 -13.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -0.146 19.434 -12.276 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.446 19.049 -13.880 1.00 0.00 H new ATOM 940 N VAL A 74 -3.003 17.835 -15.478 1.00 0.00 N ATOM 941 CA VAL A 74 -3.351 17.619 -16.877 1.00 0.00 C ATOM 942 C VAL A 74 -3.813 18.938 -17.481 1.00 0.00 C ATOM 943 O VAL A 74 -3.901 19.060 -18.703 1.00 0.00 O ATOM 944 CB VAL A 74 -4.490 16.553 -16.994 1.00 0.00 C ATOM 945 CG1 VAL A 74 -5.029 16.467 -18.477 1.00 0.00 C ATOM 946 CG2 VAL A 74 -3.962 15.155 -16.534 1.00 0.00 C ATOM 0 H VAL A 74 -3.687 17.465 -14.818 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.477 17.252 -17.415 1.00 0.00 H new ATOM 0 HB VAL A 74 -5.313 16.856 -16.347 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -5.820 15.719 -18.534 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -5.424 17.437 -18.777 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -4.215 16.185 -19.144 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -4.761 14.418 -16.618 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.125 14.856 -17.165 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.631 15.214 -15.497 1.00 0.00 H new ATOM 956 N ASP A 75 -4.073 19.931 -16.624 1.00 0.00 N ATOM 957 CA ASP A 75 -4.514 21.243 -17.092 1.00 0.00 C ATOM 958 C ASP A 75 -3.361 21.949 -17.795 1.00 0.00 C ATOM 959 O ASP A 75 -3.569 22.956 -18.471 1.00 0.00 O ATOM 960 CB ASP A 75 -5.001 22.081 -15.886 1.00 0.00 C ATOM 961 CG ASP A 75 -6.141 21.352 -15.168 1.00 0.00 C ATOM 962 OD1 ASP A 75 -7.002 20.825 -15.854 1.00 0.00 O ATOM 963 OD2 ASP A 75 -6.139 21.334 -13.946 1.00 0.00 O ATOM 0 H ASP A 75 -3.986 19.850 -15.611 1.00 0.00 H new ATOM 0 HA ASP A 75 -5.336 21.125 -17.798 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -4.176 22.253 -15.195 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -5.341 23.059 -16.226 1.00 0.00 H new ATOM 968 N GLY A 76 -2.136 21.421 -17.622 1.00 0.00 N ATOM 969 CA GLY A 76 -0.943 22.011 -18.237 1.00 0.00 C ATOM 970 C GLY A 76 -0.707 23.428 -17.716 1.00 0.00 C ATOM 971 O GLY A 76 0.215 24.115 -18.156 1.00 0.00 O ATOM 0 H GLY A 76 -1.951 20.589 -17.062 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.073 21.390 -18.022 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.060 22.032 -19.321 1.00 0.00 H new ATOM 975 N ASP A 77 -1.563 23.865 -16.775 1.00 0.00 N ATOM 976 CA ASP A 77 -1.471 25.211 -16.188 1.00 0.00 C ATOM 977 C ASP A 77 -0.392 25.246 -15.116 1.00 0.00 C ATOM 978 O ASP A 77 -0.114 26.292 -14.533 1.00 0.00 O ATOM 979 CB ASP A 77 -2.836 25.623 -15.583 1.00 0.00 C ATOM 980 CG ASP A 77 -2.807 27.099 -15.142 1.00 0.00 C ATOM 981 OD1 ASP A 77 -2.294 27.907 -15.902 1.00 0.00 O ATOM 982 OD2 ASP A 77 -3.284 27.393 -14.059 1.00 0.00 O ATOM 0 H ASP A 77 -2.329 23.302 -16.405 1.00 0.00 H new ATOM 0 HA ASP A 77 -1.206 25.918 -16.974 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -3.627 25.472 -16.318 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -3.069 24.987 -14.729 1.00 0.00 H new ATOM 987 N ARG A 78 0.205 24.082 -14.863 1.00 0.00 N ATOM 988 CA ARG A 78 1.264 23.942 -13.862 1.00 0.00 C ATOM 989 C ARG A 78 0.752 24.377 -12.488 1.00 0.00 C ATOM 990 O ARG A 78 1.523 24.723 -11.596 1.00 0.00 O ATOM 991 CB ARG A 78 2.493 24.810 -14.279 1.00 0.00 C ATOM 992 CG ARG A 78 3.797 24.309 -13.595 1.00 0.00 C ATOM 993 CD ARG A 78 4.986 25.178 -14.009 1.00 0.00 C ATOM 994 NE ARG A 78 4.768 26.555 -13.544 1.00 0.00 N ATOM 995 CZ ARG A 78 5.624 27.537 -13.839 1.00 0.00 C ATOM 996 NH1 ARG A 78 6.677 27.274 -14.565 1.00 0.00 N ATOM 997 NH2 ARG A 78 5.408 28.748 -13.412 1.00 0.00 N ATOM 0 H ARG A 78 -0.030 23.213 -15.343 1.00 0.00 H new ATOM 0 HA ARG A 78 1.567 22.897 -13.803 1.00 0.00 H new ATOM 0 HB2 ARG A 78 2.613 24.778 -15.362 1.00 0.00 H new ATOM 0 HB3 ARG A 78 2.315 25.851 -14.008 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.680 24.335 -12.512 1.00 0.00 H new ATOM 0 HG3 ARG A 78 3.984 23.271 -13.871 1.00 0.00 H new ATOM 0 HD2 ARG A 78 5.907 24.780 -13.584 1.00 0.00 H new ATOM 0 HD3 ARG A 78 5.103 25.162 -15.093 1.00 0.00 H new ATOM 0 HE ARG A 78 3.943 26.766 -12.982 1.00 0.00 H new ATOM 0 HH11 ARG A 78 6.840 26.325 -14.902 1.00 0.00 H new ATOM 0 HH12 ARG A 78 7.336 28.017 -14.795 1.00 0.00 H new ATOM 0 HH21 ARG A 78 4.582 28.951 -12.849 1.00 0.00 H new ATOM 0 HH22 ARG A 78 6.065 29.494 -13.640 1.00 0.00 H new ATOM 1011 N VAL A 79 -0.569 24.406 -12.339 1.00 0.00 N ATOM 1012 CA VAL A 79 -1.202 24.831 -11.083 1.00 0.00 C ATOM 1013 C VAL A 79 -2.496 24.052 -10.886 1.00 0.00 C ATOM 1014 O VAL A 79 -3.120 23.592 -11.840 1.00 0.00 O ATOM 1015 CB VAL A 79 -1.504 26.363 -11.112 1.00 0.00 C ATOM 1016 CG1 VAL A 79 -2.316 26.794 -9.830 1.00 0.00 C ATOM 1017 CG2 VAL A 79 -0.174 27.188 -11.209 1.00 0.00 C ATOM 0 H VAL A 79 -1.228 24.141 -13.071 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.521 24.631 -10.256 1.00 0.00 H new ATOM 0 HB VAL A 79 -2.108 26.571 -11.995 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.516 27.865 -9.869 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -3.260 26.249 -9.797 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -1.734 26.566 -8.937 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -0.407 28.253 -11.228 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.454 26.969 -10.345 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.357 26.916 -12.121 1.00 0.00 H new ATOM 1027 N LEU A 80 -2.872 23.911 -9.616 1.00 0.00 N ATOM 1028 CA LEU A 80 -4.081 23.195 -9.201 1.00 0.00 C ATOM 1029 C LEU A 80 -4.699 23.956 -8.019 1.00 0.00 C ATOM 1030 O LEU A 80 -3.986 24.463 -7.153 1.00 0.00 O ATOM 1031 CB LEU A 80 -3.738 21.707 -8.873 1.00 0.00 C ATOM 1032 CG LEU A 80 -2.251 21.536 -8.409 1.00 0.00 C ATOM 1033 CD1 LEU A 80 -1.974 22.325 -7.079 1.00 0.00 C ATOM 1034 CD2 LEU A 80 -1.932 20.025 -8.239 1.00 0.00 C ATOM 0 H LEU A 80 -2.340 24.295 -8.835 1.00 0.00 H new ATOM 0 HA LEU A 80 -4.820 23.159 -10.002 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -4.406 21.345 -8.091 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.916 21.091 -9.755 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.595 21.954 -9.172 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.934 22.186 -6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.168 23.386 -7.238 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -2.628 21.951 -6.291 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.898 19.906 -7.916 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -2.598 19.595 -7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -2.077 19.513 -9.191 1.00 0.00 H new ATOM 1046 N ASP A 81 -6.031 24.042 -7.982 1.00 0.00 N ATOM 1047 CA ASP A 81 -6.742 24.734 -6.907 1.00 0.00 C ATOM 1048 C ASP A 81 -6.952 23.800 -5.721 1.00 0.00 C ATOM 1049 O ASP A 81 -6.431 22.676 -5.682 1.00 0.00 O ATOM 1050 CB ASP A 81 -8.088 25.234 -7.470 1.00 0.00 C ATOM 1051 CG ASP A 81 -7.829 26.161 -8.669 1.00 0.00 C ATOM 1052 OD1 ASP A 81 -6.905 26.956 -8.587 1.00 0.00 O ATOM 1053 OD2 ASP A 81 -8.545 26.051 -9.650 1.00 0.00 O ATOM 0 H ASP A 81 -6.642 23.637 -8.691 1.00 0.00 H new ATOM 0 HA ASP A 81 -6.158 25.582 -6.549 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -8.703 24.388 -7.777 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -8.642 25.767 -6.697 1.00 0.00 H new ATOM 1058 N ALA A 82 -7.724 24.288 -4.755 1.00 0.00 N ATOM 1059 CA ALA A 82 -8.026 23.536 -3.532 1.00 0.00 C ATOM 1060 C ALA A 82 -8.741 22.221 -3.838 1.00 0.00 C ATOM 1061 O ALA A 82 -8.519 21.211 -3.169 1.00 0.00 O ATOM 1062 CB ALA A 82 -8.928 24.400 -2.613 1.00 0.00 C ATOM 0 H ALA A 82 -8.158 25.210 -4.793 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.083 23.302 -3.039 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -9.156 23.846 -1.702 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -8.408 25.323 -2.356 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -9.855 24.639 -3.134 1.00 0.00 H new ATOM 1068 N GLU A 83 -9.614 22.247 -4.850 1.00 0.00 N ATOM 1069 CA GLU A 83 -10.386 21.058 -5.232 1.00 0.00 C ATOM 1070 C GLU A 83 -9.489 19.984 -5.829 1.00 0.00 C ATOM 1071 O GLU A 83 -9.488 18.833 -5.382 1.00 0.00 O ATOM 1072 CB GLU A 83 -11.465 21.469 -6.260 1.00 0.00 C ATOM 1073 CG GLU A 83 -12.450 22.495 -5.636 1.00 0.00 C ATOM 1074 CD GLU A 83 -13.522 22.930 -6.646 1.00 0.00 C ATOM 1075 OE1 GLU A 83 -13.456 22.511 -7.795 1.00 0.00 O ATOM 1076 OE2 GLU A 83 -14.401 23.676 -6.250 1.00 0.00 O ATOM 0 H GLU A 83 -9.804 23.073 -5.417 1.00 0.00 H new ATOM 0 HA GLU A 83 -10.854 20.644 -4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -10.990 21.901 -7.141 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -12.012 20.587 -6.593 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -12.929 22.056 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -11.897 23.369 -5.291 1.00 0.00 H new ATOM 1083 N GLU A 84 -8.724 20.365 -6.857 1.00 0.00 N ATOM 1084 CA GLU A 84 -7.817 19.428 -7.537 1.00 0.00 C ATOM 1085 C GLU A 84 -6.869 18.813 -6.536 1.00 0.00 C ATOM 1086 O GLU A 84 -6.406 17.685 -6.717 1.00 0.00 O ATOM 1087 CB GLU A 84 -7.035 20.180 -8.662 1.00 0.00 C ATOM 1088 CG GLU A 84 -7.905 20.377 -9.935 1.00 0.00 C ATOM 1089 CD GLU A 84 -8.182 19.019 -10.598 1.00 0.00 C ATOM 1090 OE1 GLU A 84 -7.216 18.333 -10.891 1.00 0.00 O ATOM 1091 OE2 GLU A 84 -9.340 18.684 -10.780 1.00 0.00 O ATOM 0 H GLU A 84 -8.713 21.311 -7.237 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.395 18.625 -7.995 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.708 21.151 -8.291 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.137 19.618 -8.919 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.846 20.861 -9.671 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.393 21.036 -10.637 1.00 0.00 H new ATOM 1098 N GLN A 85 -6.588 19.554 -5.460 1.00 0.00 N ATOM 1099 CA GLN A 85 -5.692 19.054 -4.425 1.00 0.00 C ATOM 1100 C GLN A 85 -6.354 17.903 -3.684 1.00 0.00 C ATOM 1101 O GLN A 85 -5.735 16.872 -3.430 1.00 0.00 O ATOM 1102 CB GLN A 85 -5.331 20.186 -3.426 1.00 0.00 C ATOM 1103 CG GLN A 85 -4.078 19.795 -2.572 1.00 0.00 C ATOM 1104 CD GLN A 85 -2.827 19.797 -3.457 1.00 0.00 C ATOM 1105 OE1 GLN A 85 -2.204 18.757 -3.672 1.00 0.00 O ATOM 1106 NE2 GLN A 85 -2.456 20.915 -4.012 1.00 0.00 N ATOM 0 H GLN A 85 -6.963 20.487 -5.288 1.00 0.00 H new ATOM 0 HA GLN A 85 -4.775 18.700 -4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -5.132 21.109 -3.971 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -6.178 20.381 -2.769 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -3.954 20.498 -1.749 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -4.221 18.809 -2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -2.977 21.773 -3.829 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -1.644 20.933 -4.630 1.00 0.00 H new ATOM 1115 N MET A 86 -7.619 18.109 -3.298 1.00 0.00 N ATOM 1116 CA MET A 86 -8.357 17.095 -2.540 1.00 0.00 C ATOM 1117 C MET A 86 -8.311 15.764 -3.268 1.00 0.00 C ATOM 1118 O MET A 86 -8.082 14.713 -2.669 1.00 0.00 O ATOM 1119 CB MET A 86 -9.834 17.536 -2.357 1.00 0.00 C ATOM 1120 CG MET A 86 -10.567 16.650 -1.305 1.00 0.00 C ATOM 1121 SD MET A 86 -9.926 17.052 0.354 1.00 0.00 S ATOM 1122 CE MET A 86 -11.306 16.417 1.320 1.00 0.00 C ATOM 0 H MET A 86 -8.147 18.959 -3.496 1.00 0.00 H new ATOM 0 HA MET A 86 -7.892 16.985 -1.561 1.00 0.00 H new ATOM 0 HB2 MET A 86 -9.867 18.579 -2.043 1.00 0.00 H new ATOM 0 HB3 MET A 86 -10.355 17.474 -3.313 1.00 0.00 H new ATOM 0 HG2 MET A 86 -11.642 16.826 -1.347 1.00 0.00 H new ATOM 0 HG3 MET A 86 -10.408 15.594 -1.525 1.00 0.00 H new ATOM 0 HE1 MET A 86 -11.922 17.248 1.664 1.00 0.00 H new ATOM 0 HE2 MET A 86 -11.908 15.751 0.701 1.00 0.00 H new ATOM 0 HE3 MET A 86 -10.925 15.867 2.180 1.00 0.00 H new ATOM 1132 N LYS A 87 -8.522 15.834 -4.574 1.00 0.00 N ATOM 1133 CA LYS A 87 -8.498 14.645 -5.405 1.00 0.00 C ATOM 1134 C LYS A 87 -7.080 14.091 -5.507 1.00 0.00 C ATOM 1135 O LYS A 87 -6.879 12.880 -5.561 1.00 0.00 O ATOM 1136 CB LYS A 87 -9.028 14.971 -6.809 1.00 0.00 C ATOM 1137 CG LYS A 87 -9.090 13.653 -7.721 1.00 0.00 C ATOM 1138 CD LYS A 87 -7.982 13.668 -8.833 1.00 0.00 C ATOM 1139 CE LYS A 87 -8.399 14.597 -9.993 1.00 0.00 C ATOM 1140 NZ LYS A 87 -7.304 14.655 -10.973 1.00 0.00 N ATOM 0 H LYS A 87 -8.711 16.700 -5.078 1.00 0.00 H new ATOM 0 HA LYS A 87 -9.138 13.892 -4.945 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -10.022 15.412 -6.733 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -8.385 15.714 -7.281 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -8.966 12.770 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -10.073 13.578 -8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -7.037 14.006 -8.409 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -7.820 12.657 -9.208 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -9.308 14.226 -10.465 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -8.621 15.595 -9.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -7.575 15.279 -11.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -6.448 15.027 -10.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -7.114 13.700 -11.338 1.00 0.00 H new ATOM 1154 N MET A 88 -6.100 15.008 -5.551 1.00 0.00 N ATOM 1155 CA MET A 88 -4.694 14.615 -5.667 1.00 0.00 C ATOM 1156 C MET A 88 -4.290 13.765 -4.463 1.00 0.00 C ATOM 1157 O MET A 88 -3.943 12.605 -4.617 1.00 0.00 O ATOM 1158 CB MET A 88 -3.772 15.866 -5.751 1.00 0.00 C ATOM 1159 CG MET A 88 -2.306 15.456 -6.040 1.00 0.00 C ATOM 1160 SD MET A 88 -1.259 16.925 -6.124 1.00 0.00 S ATOM 1161 CE MET A 88 0.330 16.054 -6.120 1.00 0.00 C ATOM 0 H MET A 88 -6.257 16.015 -5.508 1.00 0.00 H new ATOM 0 HA MET A 88 -4.578 14.034 -6.582 1.00 0.00 H new ATOM 0 HB2 MET A 88 -4.128 16.533 -6.536 1.00 0.00 H new ATOM 0 HB3 MET A 88 -3.820 16.422 -4.814 1.00 0.00 H new ATOM 0 HG2 MET A 88 -1.946 14.787 -5.258 1.00 0.00 H new ATOM 0 HG3 MET A 88 -2.252 14.907 -6.980 1.00 0.00 H new ATOM 0 HE1 MET A 88 1.142 16.779 -6.168 1.00 0.00 H new ATOM 0 HE2 MET A 88 0.421 15.467 -5.206 1.00 0.00 H new ATOM 0 HE3 MET A 88 0.384 15.391 -6.984 1.00 0.00 H new ATOM 1171 N ALA A 89 -4.364 14.369 -3.265 1.00 0.00 N ATOM 1172 CA ALA A 89 -3.994 13.682 -2.018 1.00 0.00 C ATOM 1173 C ALA A 89 -4.693 12.326 -1.895 1.00 0.00 C ATOM 1174 O ALA A 89 -4.067 11.325 -1.569 1.00 0.00 O ATOM 1175 CB ALA A 89 -4.352 14.566 -0.801 1.00 0.00 C ATOM 0 H ALA A 89 -4.677 15.331 -3.135 1.00 0.00 H new ATOM 0 HA ALA A 89 -2.918 13.507 -2.041 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -4.075 14.050 0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -3.810 15.510 -0.865 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.424 14.763 -0.797 1.00 0.00 H new ATOM 1181 N HIS A 90 -5.995 12.315 -2.175 1.00 0.00 N ATOM 1182 CA HIS A 90 -6.794 11.082 -2.103 1.00 0.00 C ATOM 1183 C HIS A 90 -6.215 10.009 -3.024 1.00 0.00 C ATOM 1184 O HIS A 90 -6.158 8.830 -2.664 1.00 0.00 O ATOM 1185 CB HIS A 90 -8.253 11.395 -2.505 1.00 0.00 C ATOM 1186 CG HIS A 90 -8.899 12.280 -1.473 1.00 0.00 C ATOM 1187 ND1 HIS A 90 -8.163 13.109 -0.642 1.00 0.00 N ATOM 1188 CD2 HIS A 90 -10.206 12.444 -1.109 1.00 0.00 C ATOM 1189 CE1 HIS A 90 -9.027 13.729 0.177 1.00 0.00 C ATOM 1190 NE2 HIS A 90 -10.288 13.359 -0.066 1.00 0.00 N ATOM 0 H HIS A 90 -6.523 13.142 -2.454 1.00 0.00 H new ATOM 0 HA HIS A 90 -6.769 10.703 -1.081 1.00 0.00 H new ATOM 0 HB2 HIS A 90 -8.272 11.885 -3.478 1.00 0.00 H new ATOM 0 HB3 HIS A 90 -8.817 10.468 -2.604 1.00 0.00 H new ATOM 0 HD2 HIS A 90 -11.047 11.940 -1.562 1.00 0.00 H new ATOM 0 HE1 HIS A 90 -8.739 14.439 0.938 1.00 0.00 H new ATOM 0 HE2 HIS A 90 -11.130 13.679 0.412 1.00 0.00 H new ATOM 1198 N ASP A 91 -5.801 10.422 -4.224 1.00 0.00 N ATOM 1199 CA ASP A 91 -5.254 9.476 -5.202 1.00 0.00 C ATOM 1200 C ASP A 91 -4.037 8.740 -4.631 1.00 0.00 C ATOM 1201 O ASP A 91 -3.774 7.581 -4.959 1.00 0.00 O ATOM 1202 CB ASP A 91 -4.872 10.223 -6.505 1.00 0.00 C ATOM 1203 CG ASP A 91 -4.614 9.212 -7.631 1.00 0.00 C ATOM 1204 OD1 ASP A 91 -3.665 8.459 -7.510 1.00 0.00 O ATOM 1205 OD2 ASP A 91 -5.385 9.192 -8.577 1.00 0.00 O ATOM 0 H ASP A 91 -5.833 11.391 -4.540 1.00 0.00 H new ATOM 0 HA ASP A 91 -6.020 8.734 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -5.673 10.904 -6.792 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -3.982 10.830 -6.339 1.00 0.00 H new ATOM 1210 N LEU A 92 -3.300 9.440 -3.764 1.00 0.00 N ATOM 1211 CA LEU A 92 -2.101 8.887 -3.125 1.00 0.00 C ATOM 1212 C LEU A 92 -2.475 7.809 -2.127 1.00 0.00 C ATOM 1213 O LEU A 92 -1.770 6.814 -1.980 1.00 0.00 O ATOM 1214 CB LEU A 92 -1.295 10.014 -2.417 1.00 0.00 C ATOM 1215 CG LEU A 92 -1.142 11.257 -3.360 1.00 0.00 C ATOM 1216 CD1 LEU A 92 -0.265 12.342 -2.688 1.00 0.00 C ATOM 1217 CD2 LEU A 92 -0.579 10.872 -4.779 1.00 0.00 C ATOM 0 H LEU A 92 -3.514 10.398 -3.487 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.477 8.441 -3.900 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.801 10.308 -1.498 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -0.310 9.642 -2.134 1.00 0.00 H new ATOM 0 HG LEU A 92 -2.140 11.664 -3.522 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -0.169 13.198 -3.356 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -0.731 12.660 -1.755 1.00 0.00 H new ATOM 0 HD13 LEU A 92 0.723 11.933 -2.479 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -0.493 11.769 -5.392 1.00 0.00 H new ATOM 0 HD22 LEU A 92 0.403 10.412 -4.668 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -1.257 10.167 -5.261 1.00 0.00 H new ATOM 1229 N GLU A 93 -3.590 8.023 -1.424 1.00 0.00 N ATOM 1230 CA GLU A 93 -4.050 7.073 -0.412 1.00 0.00 C ATOM 1231 C GLU A 93 -4.390 5.734 -1.068 1.00 0.00 C ATOM 1232 O GLU A 93 -4.048 4.664 -0.546 1.00 0.00 O ATOM 1233 CB GLU A 93 -5.290 7.650 0.313 1.00 0.00 C ATOM 1234 CG GLU A 93 -4.930 8.987 1.017 1.00 0.00 C ATOM 1235 CD GLU A 93 -6.158 9.558 1.738 1.00 0.00 C ATOM 1236 OE1 GLU A 93 -7.211 9.592 1.124 1.00 0.00 O ATOM 1237 OE2 GLU A 93 -6.031 9.939 2.891 1.00 0.00 O ATOM 0 H GLU A 93 -4.187 8.842 -1.537 1.00 0.00 H new ATOM 0 HA GLU A 93 -3.257 6.909 0.318 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -6.095 7.814 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -5.657 6.932 1.047 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.124 8.824 1.732 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -4.564 9.705 0.283 1.00 0.00 H new ATOM 1244 N GLY A 94 -5.044 5.803 -2.233 1.00 0.00 N ATOM 1245 CA GLY A 94 -5.415 4.597 -2.975 1.00 0.00 C ATOM 1246 C GLY A 94 -4.190 3.965 -3.604 1.00 0.00 C ATOM 1247 O GLY A 94 -4.160 2.762 -3.861 1.00 0.00 O ATOM 0 H GLY A 94 -5.325 6.676 -2.679 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.896 3.884 -2.305 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -6.141 4.847 -3.749 1.00 0.00 H new ATOM 1251 N GLN A 95 -3.175 4.797 -3.879 1.00 0.00 N ATOM 1252 CA GLN A 95 -1.940 4.308 -4.507 1.00 0.00 C ATOM 1253 C GLN A 95 -1.169 3.398 -3.552 1.00 0.00 C ATOM 1254 O GLN A 95 -0.646 2.357 -3.950 1.00 0.00 O ATOM 1255 CB GLN A 95 -1.033 5.501 -4.947 1.00 0.00 C ATOM 1256 CG GLN A 95 0.024 5.036 -6.009 1.00 0.00 C ATOM 1257 CD GLN A 95 -0.678 4.753 -7.343 1.00 0.00 C ATOM 1258 OE1 GLN A 95 -0.972 3.603 -7.666 1.00 0.00 O ATOM 1259 NE2 GLN A 95 -1.007 5.753 -8.104 1.00 0.00 N ATOM 0 H GLN A 95 -3.184 5.797 -3.680 1.00 0.00 H new ATOM 0 HA GLN A 95 -2.220 3.734 -5.390 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -1.649 6.297 -5.365 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -0.523 5.916 -4.078 1.00 0.00 H new ATOM 0 HG2 GLN A 95 0.784 5.806 -6.142 1.00 0.00 H new ATOM 0 HG3 GLN A 95 0.537 4.140 -5.659 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -0.761 6.704 -7.831 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -1.512 5.587 -8.975 1.00 0.00 H new ATOM 1268 N LYS A 96 -1.100 3.811 -2.282 1.00 0.00 N ATOM 1269 CA LYS A 96 -0.388 3.041 -1.253 1.00 0.00 C ATOM 1270 C LYS A 96 -1.064 1.700 -1.035 1.00 0.00 C ATOM 1271 O LYS A 96 -0.398 0.679 -0.865 1.00 0.00 O ATOM 1272 CB LYS A 96 -0.366 3.837 0.069 1.00 0.00 C ATOM 1273 CG LYS A 96 0.530 5.098 -0.070 1.00 0.00 C ATOM 1274 CD LYS A 96 0.556 5.896 1.258 1.00 0.00 C ATOM 1275 CE LYS A 96 1.482 7.121 1.120 1.00 0.00 C ATOM 1276 NZ LYS A 96 0.938 8.008 0.055 1.00 0.00 N ATOM 0 H LYS A 96 -1.527 4.672 -1.941 1.00 0.00 H new ATOM 0 HA LYS A 96 0.635 2.867 -1.588 1.00 0.00 H new ATOM 0 HB2 LYS A 96 -1.380 4.132 0.340 1.00 0.00 H new ATOM 0 HB3 LYS A 96 0.008 3.205 0.875 1.00 0.00 H new ATOM 0 HG2 LYS A 96 1.543 4.803 -0.343 1.00 0.00 H new ATOM 0 HG3 LYS A 96 0.155 5.731 -0.874 1.00 0.00 H new ATOM 0 HD2 LYS A 96 -0.452 6.219 1.517 1.00 0.00 H new ATOM 0 HD3 LYS A 96 0.904 5.256 2.069 1.00 0.00 H new ATOM 0 HE2 LYS A 96 1.542 7.659 2.066 1.00 0.00 H new ATOM 0 HE3 LYS A 96 2.494 6.804 0.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 96 1.570 8.823 -0.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 96 0.870 7.478 -0.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 96 -0.007 8.343 0.331 1.00 0.00 H new ATOM 1290 N SER A 97 -2.399 1.708 -1.029 1.00 0.00 N ATOM 1291 CA SER A 97 -3.159 0.471 -0.819 1.00 0.00 C ATOM 1292 C SER A 97 -2.823 -0.550 -1.909 1.00 0.00 C ATOM 1293 O SER A 97 -2.581 -1.727 -1.621 1.00 0.00 O ATOM 1294 CB SER A 97 -4.662 0.770 -0.850 1.00 0.00 C ATOM 1295 OG SER A 97 -5.023 1.187 -2.157 1.00 0.00 O ATOM 0 H SER A 97 -2.970 2.542 -1.165 1.00 0.00 H new ATOM 0 HA SER A 97 -2.889 0.059 0.153 1.00 0.00 H new ATOM 0 HB2 SER A 97 -5.228 -0.118 -0.568 1.00 0.00 H new ATOM 0 HB3 SER A 97 -4.906 1.547 -0.126 1.00 0.00 H new ATOM 0 HG SER A 97 -4.346 1.807 -2.501 1.00 0.00 H new ATOM 1301 N ASP A 98 -2.783 -0.081 -3.168 1.00 0.00 N ATOM 1302 CA ASP A 98 -2.458 -0.944 -4.309 1.00 0.00 C ATOM 1303 C ASP A 98 -1.032 -1.443 -4.194 1.00 0.00 C ATOM 1304 O ASP A 98 -0.732 -2.586 -4.536 1.00 0.00 O ATOM 1305 CB ASP A 98 -2.637 -0.161 -5.633 1.00 0.00 C ATOM 1306 CG ASP A 98 -4.079 0.339 -5.751 1.00 0.00 C ATOM 1307 OD1 ASP A 98 -4.973 -0.398 -5.362 1.00 0.00 O ATOM 1308 OD2 ASP A 98 -4.270 1.448 -6.224 1.00 0.00 O ATOM 0 H ASP A 98 -2.972 0.890 -3.418 1.00 0.00 H new ATOM 0 HA ASP A 98 -3.134 -1.799 -4.308 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -1.947 0.682 -5.663 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -2.395 -0.802 -6.481 1.00 0.00 H new ATOM 1313 N LEU A 99 -0.147 -0.561 -3.719 1.00 0.00 N ATOM 1314 CA LEU A 99 1.264 -0.919 -3.577 1.00 0.00 C ATOM 1315 C LEU A 99 1.428 -2.046 -2.561 1.00 0.00 C ATOM 1316 O LEU A 99 2.138 -3.013 -2.819 1.00 0.00 O ATOM 1317 CB LEU A 99 2.098 0.310 -3.128 1.00 0.00 C ATOM 1318 CG LEU A 99 3.616 -0.056 -2.918 1.00 0.00 C ATOM 1319 CD1 LEU A 99 4.259 -0.609 -4.232 1.00 0.00 C ATOM 1320 CD2 LEU A 99 4.389 1.176 -2.385 1.00 0.00 C ATOM 0 H LEU A 99 -0.379 0.390 -3.431 1.00 0.00 H new ATOM 0 HA LEU A 99 1.626 -1.257 -4.548 1.00 0.00 H new ATOM 0 HB2 LEU A 99 2.015 1.098 -3.876 1.00 0.00 H new ATOM 0 HB3 LEU A 99 1.688 0.707 -2.199 1.00 0.00 H new ATOM 0 HG LEU A 99 3.679 -0.851 -2.175 1.00 0.00 H new ATOM 0 HD11 LEU A 99 5.306 -0.851 -4.051 1.00 0.00 H new ATOM 0 HD12 LEU A 99 3.728 -1.507 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.192 0.146 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 99 5.437 0.914 -2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 99 4.313 1.992 -3.104 1.00 0.00 H new ATOM 0 HD23 LEU A 99 3.961 1.490 -1.433 1.00 0.00 H new ATOM 1332 N ASN A 100 0.790 -1.884 -1.394 1.00 0.00 N ATOM 1333 CA ASN A 100 0.897 -2.866 -0.313 1.00 0.00 C ATOM 1334 C ASN A 100 0.463 -4.243 -0.804 1.00 0.00 C ATOM 1335 O ASN A 100 1.070 -5.259 -0.460 1.00 0.00 O ATOM 1336 CB ASN A 100 0.010 -2.428 0.876 1.00 0.00 C ATOM 1337 CG ASN A 100 0.460 -1.067 1.407 1.00 0.00 C ATOM 1338 OD1 ASN A 100 1.655 -0.766 1.415 1.00 0.00 O ATOM 1339 ND2 ASN A 100 -0.428 -0.226 1.854 1.00 0.00 N ATOM 0 H ASN A 100 0.196 -1.083 -1.177 1.00 0.00 H new ATOM 0 HA ASN A 100 1.936 -2.923 0.012 1.00 0.00 H new ATOM 0 HB2 ASN A 100 -1.032 -2.375 0.560 1.00 0.00 H new ATOM 0 HB3 ASN A 100 0.065 -3.171 1.671 1.00 0.00 H new ATOM 0 HD21 ASN A 100 -0.135 0.683 2.211 1.00 0.00 H new ATOM 0 HD22 ASN A 100 -1.417 -0.476 1.847 1.00 0.00 H new ATOM 1346 N ASN A 101 -0.594 -4.250 -1.619 1.00 0.00 N ATOM 1347 CA ASN A 101 -1.128 -5.494 -2.173 1.00 0.00 C ATOM 1348 C ASN A 101 -0.142 -6.112 -3.164 1.00 0.00 C ATOM 1349 O ASN A 101 0.304 -7.249 -2.988 1.00 0.00 O ATOM 1350 CB ASN A 101 -2.474 -5.221 -2.884 1.00 0.00 C ATOM 1351 CG ASN A 101 -3.057 -6.533 -3.437 1.00 0.00 C ATOM 1352 OD1 ASN A 101 -3.453 -7.404 -2.663 1.00 0.00 O ATOM 1353 ND2 ASN A 101 -3.089 -6.739 -4.725 1.00 0.00 N ATOM 0 H ASN A 101 -1.095 -3.410 -1.909 1.00 0.00 H new ATOM 0 HA ASN A 101 -1.285 -6.194 -1.353 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -3.177 -4.768 -2.186 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -2.327 -4.509 -3.696 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.443 -7.623 -5.091 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.760 -6.016 -5.365 1.00 0.00 H new ATOM 1360 N GLN A 102 0.188 -5.353 -4.217 1.00 0.00 N ATOM 1361 CA GLN A 102 1.105 -5.834 -5.251 1.00 0.00 C ATOM 1362 C GLN A 102 2.406 -6.290 -4.626 1.00 0.00 C ATOM 1363 O GLN A 102 2.959 -7.325 -5.012 1.00 0.00 O ATOM 1364 CB GLN A 102 1.378 -4.689 -6.280 1.00 0.00 C ATOM 1365 CG GLN A 102 0.093 -4.355 -7.095 1.00 0.00 C ATOM 1366 CD GLN A 102 -0.249 -5.513 -8.043 1.00 0.00 C ATOM 1367 OE1 GLN A 102 0.631 -6.008 -8.747 1.00 0.00 O ATOM 1368 NE2 GLN A 102 -1.462 -5.984 -8.088 1.00 0.00 N ATOM 0 H GLN A 102 -0.166 -4.409 -4.372 1.00 0.00 H new ATOM 0 HA GLN A 102 0.651 -6.681 -5.765 1.00 0.00 H new ATOM 0 HB2 GLN A 102 1.722 -3.798 -5.755 1.00 0.00 H new ATOM 0 HB3 GLN A 102 2.177 -4.988 -6.959 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -0.740 -4.173 -6.416 1.00 0.00 H new ATOM 0 HG3 GLN A 102 0.244 -3.439 -7.667 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.191 -5.573 -7.504 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.684 -6.764 -8.707 1.00 0.00 H new ATOM 1377 N LEU A 103 2.897 -5.521 -3.649 1.00 0.00 N ATOM 1378 CA LEU A 103 4.160 -5.835 -2.968 1.00 0.00 C ATOM 1379 C LEU A 103 4.115 -5.338 -1.534 1.00 0.00 C ATOM 1380 O LEU A 103 3.392 -4.410 -1.214 1.00 0.00 O ATOM 1381 CB LEU A 103 5.329 -5.139 -3.727 1.00 0.00 C ATOM 1382 CG LEU A 103 5.619 -5.812 -5.121 1.00 0.00 C ATOM 1383 CD1 LEU A 103 6.610 -4.956 -5.940 1.00 0.00 C ATOM 1384 CD2 LEU A 103 6.164 -7.278 -4.939 1.00 0.00 C ATOM 0 H LEU A 103 2.439 -4.675 -3.311 1.00 0.00 H new ATOM 0 HA LEU A 103 4.312 -6.914 -2.961 1.00 0.00 H new ATOM 0 HB2 LEU A 103 5.087 -4.087 -3.877 1.00 0.00 H new ATOM 0 HB3 LEU A 103 6.230 -5.175 -3.114 1.00 0.00 H new ATOM 0 HG LEU A 103 4.680 -5.871 -5.671 1.00 0.00 H new ATOM 0 HD11 LEU A 103 6.799 -5.436 -6.900 1.00 0.00 H new ATOM 0 HD12 LEU A 103 6.184 -3.966 -6.107 1.00 0.00 H new ATOM 0 HD13 LEU A 103 7.547 -4.860 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 103 6.356 -7.719 -5.917 1.00 0.00 H new ATOM 0 HD22 LEU A 103 7.090 -7.253 -4.364 1.00 0.00 H new ATOM 0 HD23 LEU A 103 5.424 -7.878 -4.409 1.00 0.00 H new