USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 528 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 35 CYS SG : rot 142:sc= 0.936 USER MOD Set 1.2: A 37 SER OG : rot 116:sc= 1.24 USER MOD Set 1.3: A 38 CYS SG : rot 57:sc= 0.603 USER MOD Set 1.4: A 58 CYS SG : rot -133:sc= -1.18 USER MOD Set 2.1: A 34 LYS NZ :NH3+ -175:sc= 0.0229 (180deg=0) USER MOD Set 2.2: A 39 GLN : amide:sc= 0.0233 K(o=0.046,f=-4.4!) USER MOD Set 3.1: A 8 CYS SG : rot 169:sc= 1.55 USER MOD Set 3.2: A 11 CYS SG : rot -47:sc= 1.11 USER MOD Set 3.3: A 29 HIS : no HD1:sc= -1.17! K(o=-0.53!,f=-2.5) USER MOD Set 3.4: A 32 CYS SG : rot 138:sc= -2.02! USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -155:sc= -0.748 (180deg=-1.35) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -69:sc= 0.401 USER MOD Single : A 36 SER OG : rot 75:sc= 1.19 USER MOD Single : A 41 GLN : amide:sc=-0.00241 K(o=-0.0024,f=-2.2!) USER MOD Single : A 47 THR OG1 : rot 131:sc= 0.608 USER MOD Single : A 48 SER OG : rot 22:sc= 1.16 USER MOD Single : A 49 SER OG : rot 160:sc= -3.13! USER MOD Single : A 50 TYR OH : rot 30:sc= -0.338 USER MOD Single : A 51 THR OG1 : rot 170:sc= 0.0536 USER MOD Single : A 52 LYS NZ :NH3+ -142:sc= -0.317! (180deg=-3.22!) USER MOD Single : A 53 SER OG : rot 157:sc= 0.237 USER MOD Single : A 55 MET CE :methyl -166:sc= 0 (180deg=-0.28) USER MOD Single : A 60 ASN : amide:sc= 0.637 K(o=0.64,f=-3.6!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.676 -2.019 0.064 1.00 0.00 N ATOM 98 CA ARG A 7 -10.143 -2.974 1.016 1.00 0.00 C ATOM 99 C ARG A 7 -8.670 -2.687 1.278 1.00 0.00 C ATOM 100 O ARG A 7 -7.941 -2.259 0.385 1.00 0.00 O ATOM 101 CB ARG A 7 -10.340 -4.408 0.513 1.00 0.00 C ATOM 102 CG ARG A 7 -9.200 -4.940 -0.339 1.00 0.00 C ATOM 103 CD ARG A 7 -8.855 -6.372 0.025 1.00 0.00 C ATOM 104 NE ARG A 7 -7.910 -6.444 1.137 1.00 0.00 N ATOM 105 CZ ARG A 7 -7.425 -7.583 1.631 1.00 0.00 C ATOM 106 NH1 ARG A 7 -7.897 -8.753 1.214 1.00 0.00 N ATOM 107 NH2 ARG A 7 -6.500 -7.544 2.578 1.00 0.00 N ATOM 0 HA ARG A 7 -10.687 -2.871 1.955 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -10.472 -5.066 1.372 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -11.262 -4.452 -0.067 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -9.476 -4.888 -1.392 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -8.321 -4.308 -0.208 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.767 -6.908 0.289 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.430 -6.874 -0.844 1.00 0.00 H new ATOM 0 HE ARG A 7 -7.603 -5.569 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.636 -8.784 0.511 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -7.521 -9.620 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -6.163 -6.646 2.925 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.125 -8.412 2.960 1.00 0.00 H new ATOM 121 N CYS A 8 -8.264 -2.864 2.519 1.00 0.00 N ATOM 122 CA CYS A 8 -6.911 -2.572 2.939 1.00 0.00 C ATOM 123 C CYS A 8 -6.011 -3.788 2.774 1.00 0.00 C ATOM 124 O CYS A 8 -6.385 -4.906 3.137 1.00 0.00 O ATOM 125 CB CYS A 8 -6.929 -2.131 4.397 1.00 0.00 C ATOM 126 SG CYS A 8 -5.290 -1.858 5.139 1.00 0.00 S ATOM 0 H CYS A 8 -8.865 -3.215 3.265 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.512 -1.774 2.313 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.504 -1.209 4.475 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.455 -2.885 4.982 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.427 -1.266 6.288 1.00 0.00 H new ATOM 131 N ALA A 9 -4.810 -3.551 2.283 1.00 0.00 N ATOM 132 CA ALA A 9 -3.819 -4.603 2.142 1.00 0.00 C ATOM 133 C ALA A 9 -2.788 -4.508 3.261 1.00 0.00 C ATOM 134 O ALA A 9 -1.803 -5.249 3.284 1.00 0.00 O ATOM 135 CB ALA A 9 -3.145 -4.517 0.778 1.00 0.00 C ATOM 0 H ALA A 9 -4.494 -2.632 1.973 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.319 -5.569 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.405 -5.312 0.687 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -3.894 -4.628 -0.006 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -2.653 -3.550 0.676 1.00 0.00 H new ATOM 141 N GLY A 10 -3.011 -3.574 4.177 1.00 0.00 N ATOM 142 CA GLY A 10 -2.088 -3.371 5.274 1.00 0.00 C ATOM 143 C GLY A 10 -2.363 -4.305 6.425 1.00 0.00 C ATOM 144 O GLY A 10 -1.450 -4.949 6.947 1.00 0.00 O ATOM 0 H GLY A 10 -3.819 -2.951 4.178 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.068 -3.521 4.921 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.157 -2.340 5.620 1.00 0.00 H new ATOM 148 N CYS A 11 -3.635 -4.461 6.755 1.00 0.00 N ATOM 149 CA CYS A 11 -4.029 -5.405 7.778 1.00 0.00 C ATOM 150 C CYS A 11 -4.685 -6.620 7.132 1.00 0.00 C ATOM 151 O CYS A 11 -4.073 -7.685 7.023 1.00 0.00 O ATOM 152 CB CYS A 11 -4.967 -4.744 8.795 1.00 0.00 C ATOM 153 SG CYS A 11 -6.374 -3.846 8.066 1.00 0.00 S ATOM 0 H CYS A 11 -4.406 -3.947 6.329 1.00 0.00 H new ATOM 0 HA CYS A 11 -3.141 -5.736 8.317 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.353 -5.512 9.465 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -4.388 -4.050 9.405 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.951 -3.091 7.096 1.00 0.00 H new ATOM 158 N GLY A 12 -5.908 -6.444 6.662 1.00 0.00 N ATOM 159 CA GLY A 12 -6.594 -7.517 5.981 1.00 0.00 C ATOM 160 C GLY A 12 -8.098 -7.434 6.107 1.00 0.00 C ATOM 161 O GLY A 12 -8.752 -8.429 6.417 1.00 0.00 O ATOM 0 H GLY A 12 -6.438 -5.576 6.740 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.322 -7.502 4.925 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -6.254 -8.471 6.384 1.00 0.00 H new ATOM 165 N GLY A 13 -8.662 -6.274 5.798 1.00 0.00 N ATOM 166 CA GLY A 13 -10.090 -6.125 5.812 1.00 0.00 C ATOM 167 C GLY A 13 -10.539 -4.996 4.916 1.00 0.00 C ATOM 168 O GLY A 13 -9.853 -4.637 3.959 1.00 0.00 O ATOM 0 H GLY A 13 -8.146 -5.434 5.537 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.557 -7.055 5.488 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.427 -5.937 6.831 1.00 0.00 H new ATOM 172 N LYS A 14 -11.634 -4.381 5.284 1.00 0.00 N ATOM 173 CA LYS A 14 -12.156 -3.234 4.560 1.00 0.00 C ATOM 174 C LYS A 14 -11.790 -1.946 5.287 1.00 0.00 C ATOM 175 O LYS A 14 -11.653 -1.932 6.512 1.00 0.00 O ATOM 176 CB LYS A 14 -13.678 -3.352 4.409 1.00 0.00 C ATOM 177 CG LYS A 14 -14.305 -2.240 3.588 1.00 0.00 C ATOM 178 CD LYS A 14 -15.767 -2.523 3.294 1.00 0.00 C ATOM 179 CE LYS A 14 -16.110 -2.218 1.847 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.564 -2.354 1.581 1.00 0.00 N ATOM 0 H LYS A 14 -12.193 -4.655 6.092 1.00 0.00 H new ATOM 0 HA LYS A 14 -11.711 -3.210 3.565 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.914 -4.310 3.945 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -14.132 -3.358 5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.217 -1.296 4.125 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -13.760 -2.126 2.651 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.987 -3.569 3.509 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -16.395 -1.923 3.953 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.790 -1.205 1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.557 -2.892 1.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -17.756 -2.137 0.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.865 -3.328 1.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.091 -1.692 2.186 1.00 0.00 H new ATOM 194 N ILE A 15 -11.631 -0.871 4.537 1.00 0.00 N ATOM 195 CA ILE A 15 -11.300 0.414 5.120 1.00 0.00 C ATOM 196 C ILE A 15 -12.561 1.229 5.375 1.00 0.00 C ATOM 197 O ILE A 15 -13.173 1.759 4.445 1.00 0.00 O ATOM 198 CB ILE A 15 -10.350 1.219 4.211 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.441 0.276 3.417 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.523 2.189 5.038 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.579 0.982 2.395 1.00 0.00 C ATOM 0 H ILE A 15 -11.726 -0.863 3.521 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.795 0.218 6.066 1.00 0.00 H new ATOM 0 HB ILE A 15 -10.949 1.793 3.504 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.797 -0.264 4.111 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.057 -0.466 2.909 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -8.857 2.750 4.382 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.186 2.880 5.559 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.932 1.634 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.962 0.251 1.872 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.216 1.500 1.677 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.937 1.705 2.898 1.00 0.00 H new ATOM 212 N ALA A 16 -12.946 1.330 6.640 1.00 0.00 N ATOM 213 CA ALA A 16 -14.118 2.105 7.024 1.00 0.00 C ATOM 214 C ALA A 16 -13.713 3.535 7.354 1.00 0.00 C ATOM 215 O ALA A 16 -14.557 4.400 7.586 1.00 0.00 O ATOM 216 CB ALA A 16 -14.817 1.460 8.212 1.00 0.00 C ATOM 0 H ALA A 16 -12.462 0.884 7.419 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.816 2.124 6.187 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.690 2.052 8.486 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -15.132 0.451 7.945 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -14.130 1.414 9.057 1.00 0.00 H new ATOM 222 N ASP A 17 -12.408 3.768 7.354 1.00 0.00 N ATOM 223 CA ASP A 17 -11.851 5.086 7.631 1.00 0.00 C ATOM 224 C ASP A 17 -12.002 5.990 6.418 1.00 0.00 C ATOM 225 O ASP A 17 -11.964 5.524 5.279 1.00 0.00 O ATOM 226 CB ASP A 17 -10.373 4.966 8.012 1.00 0.00 C ATOM 227 CG ASP A 17 -10.182 4.629 9.474 1.00 0.00 C ATOM 228 OD1 ASP A 17 -10.401 3.456 9.855 1.00 0.00 O ATOM 229 OD2 ASP A 17 -9.817 5.536 10.253 1.00 0.00 O ATOM 0 H ASP A 17 -11.707 3.052 7.163 1.00 0.00 H new ATOM 0 HA ASP A 17 -12.398 5.524 8.466 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.904 4.196 7.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.865 5.904 7.788 1.00 0.00 H new ATOM 234 N ARG A 18 -12.216 7.273 6.669 1.00 0.00 N ATOM 235 CA ARG A 18 -12.404 8.242 5.599 1.00 0.00 C ATOM 236 C ARG A 18 -11.105 8.448 4.830 1.00 0.00 C ATOM 237 O ARG A 18 -11.102 8.499 3.599 1.00 0.00 O ATOM 238 CB ARG A 18 -12.894 9.577 6.170 1.00 0.00 C ATOM 239 CG ARG A 18 -13.077 10.663 5.121 1.00 0.00 C ATOM 240 CD ARG A 18 -14.183 11.631 5.507 1.00 0.00 C ATOM 241 NE ARG A 18 -15.170 11.782 4.442 1.00 0.00 N ATOM 242 CZ ARG A 18 -16.415 12.217 4.629 1.00 0.00 C ATOM 243 NH1 ARG A 18 -16.831 12.562 5.846 1.00 0.00 N ATOM 244 NH2 ARG A 18 -17.248 12.300 3.597 1.00 0.00 N ATOM 0 H ARG A 18 -12.264 7.669 7.608 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.157 7.854 4.913 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.843 9.416 6.682 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -12.182 9.924 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -12.142 11.209 4.995 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.312 10.206 4.160 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.677 11.276 6.412 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.749 12.603 5.741 1.00 0.00 H new ATOM 0 HE ARG A 18 -14.888 11.538 3.493 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.195 12.494 6.641 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -17.785 12.894 5.984 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.933 12.031 2.665 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -18.202 12.633 3.737 1.00 0.00 H new ATOM 258 N PHE A 19 -10.011 8.596 5.563 1.00 0.00 N ATOM 259 CA PHE A 19 -8.715 8.844 4.953 1.00 0.00 C ATOM 260 C PHE A 19 -7.999 7.533 4.652 1.00 0.00 C ATOM 261 O PHE A 19 -7.341 6.955 5.521 1.00 0.00 O ATOM 262 CB PHE A 19 -7.860 9.716 5.872 1.00 0.00 C ATOM 263 CG PHE A 19 -8.097 11.190 5.689 1.00 0.00 C ATOM 264 CD1 PHE A 19 -9.380 11.685 5.510 1.00 0.00 C ATOM 265 CD2 PHE A 19 -7.037 12.082 5.699 1.00 0.00 C ATOM 266 CE1 PHE A 19 -9.601 13.040 5.346 1.00 0.00 C ATOM 267 CE2 PHE A 19 -7.252 13.437 5.533 1.00 0.00 C ATOM 268 CZ PHE A 19 -8.535 13.917 5.356 1.00 0.00 C ATOM 0 H PHE A 19 -9.996 8.548 6.582 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.873 9.370 4.012 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.066 9.449 6.909 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.807 9.500 5.690 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -10.218 11.003 5.499 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.031 11.714 5.838 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -10.606 13.412 5.210 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -6.416 14.121 5.542 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.704 14.976 5.226 1.00 0.00 H new ATOM 278 N LEU A 20 -8.105 7.090 3.406 1.00 0.00 N ATOM 279 CA LEU A 20 -7.435 5.876 2.968 1.00 0.00 C ATOM 280 C LEU A 20 -6.187 6.227 2.184 1.00 0.00 C ATOM 281 O LEU A 20 -6.043 7.349 1.688 1.00 0.00 O ATOM 282 CB LEU A 20 -8.338 5.012 2.077 1.00 0.00 C ATOM 283 CG LEU A 20 -9.845 5.218 2.223 1.00 0.00 C ATOM 284 CD1 LEU A 20 -10.340 6.287 1.263 1.00 0.00 C ATOM 285 CD2 LEU A 20 -10.564 3.909 1.963 1.00 0.00 C ATOM 0 H LEU A 20 -8.650 7.556 2.681 1.00 0.00 H new ATOM 0 HA LEU A 20 -7.182 5.310 3.864 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -8.068 5.198 1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -8.116 3.965 2.282 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.056 5.551 3.239 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -11.415 6.416 1.385 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.835 7.229 1.476 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -10.125 5.984 0.238 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -11.639 4.057 2.067 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.341 3.566 0.953 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.229 3.161 2.682 1.00 0.00 H new ATOM 297 N LEU A 21 -5.351 5.234 1.968 1.00 0.00 N ATOM 298 CA LEU A 21 -4.191 5.402 1.125 1.00 0.00 C ATOM 299 C LEU A 21 -4.270 4.453 -0.055 1.00 0.00 C ATOM 300 O LEU A 21 -4.741 3.327 0.074 1.00 0.00 O ATOM 301 CB LEU A 21 -2.906 5.163 1.912 1.00 0.00 C ATOM 302 CG LEU A 21 -1.734 6.042 1.490 1.00 0.00 C ATOM 303 CD1 LEU A 21 -0.973 6.532 2.709 1.00 0.00 C ATOM 304 CD2 LEU A 21 -0.816 5.283 0.544 1.00 0.00 C ATOM 0 H LEU A 21 -5.455 4.301 2.366 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.176 6.428 0.758 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.107 5.330 2.970 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.617 4.118 1.803 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.122 6.912 0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.140 7.158 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.641 7.113 3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.592 5.677 3.268 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.016 5.924 0.252 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.431 4.395 1.045 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.374 4.985 -0.344 1.00 0.00 H new ATOM 316 N TYR A 22 -3.867 4.937 -1.211 1.00 0.00 N ATOM 317 CA TYR A 22 -3.908 4.146 -2.426 1.00 0.00 C ATOM 318 C TYR A 22 -2.486 3.872 -2.893 1.00 0.00 C ATOM 319 O TYR A 22 -1.746 4.804 -3.205 1.00 0.00 O ATOM 320 CB TYR A 22 -4.684 4.890 -3.518 1.00 0.00 C ATOM 321 CG TYR A 22 -6.186 4.927 -3.323 1.00 0.00 C ATOM 322 CD1 TYR A 22 -6.749 5.323 -2.115 1.00 0.00 C ATOM 323 CD2 TYR A 22 -7.042 4.584 -4.358 1.00 0.00 C ATOM 324 CE1 TYR A 22 -8.118 5.373 -1.949 1.00 0.00 C ATOM 325 CE2 TYR A 22 -8.413 4.630 -4.197 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.943 5.026 -2.993 1.00 0.00 C ATOM 327 OH TYR A 22 -10.307 5.081 -2.833 1.00 0.00 O ATOM 0 H TYR A 22 -3.504 5.882 -1.336 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.414 3.202 -2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.314 5.914 -3.572 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -4.469 4.422 -4.479 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -6.104 5.596 -1.293 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -6.630 4.275 -5.307 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -8.539 5.683 -1.004 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -9.065 4.356 -5.013 1.00 0.00 H new ATOM 0 HH TYR A 22 -10.745 4.805 -3.665 1.00 0.00 H new ATOM 337 N ALA A 23 -2.073 2.617 -2.857 1.00 0.00 N ATOM 338 CA ALA A 23 -0.714 2.264 -3.237 1.00 0.00 C ATOM 339 C ALA A 23 -0.632 0.837 -3.761 1.00 0.00 C ATOM 340 O ALA A 23 -1.282 -0.063 -3.228 1.00 0.00 O ATOM 341 CB ALA A 23 0.233 2.451 -2.059 1.00 0.00 C ATOM 0 H ALA A 23 -2.654 1.829 -2.571 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.412 2.932 -4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.246 2.183 -2.360 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.214 3.493 -1.739 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.082 1.812 -1.234 1.00 0.00 H new ATOM 347 N MET A 24 0.179 0.644 -4.802 1.00 0.00 N ATOM 348 CA MET A 24 0.384 -0.672 -5.415 1.00 0.00 C ATOM 349 C MET A 24 -0.917 -1.213 -6.004 1.00 0.00 C ATOM 350 O MET A 24 -1.174 -2.417 -5.959 1.00 0.00 O ATOM 351 CB MET A 24 0.956 -1.664 -4.396 1.00 0.00 C ATOM 352 CG MET A 24 2.455 -1.871 -4.522 1.00 0.00 C ATOM 353 SD MET A 24 3.108 -3.014 -3.288 1.00 0.00 S ATOM 354 CE MET A 24 3.948 -1.876 -2.189 1.00 0.00 C ATOM 0 H MET A 24 0.712 1.393 -5.244 1.00 0.00 H new ATOM 0 HA MET A 24 1.103 -0.551 -6.225 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.730 -1.309 -3.390 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.454 -2.624 -4.515 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.683 -2.250 -5.518 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.960 -0.910 -4.424 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.743 -2.401 -1.659 1.00 0.00 H new ATOM 0 HE2 MET A 24 4.377 -1.059 -2.770 1.00 0.00 H new ATOM 0 HE3 MET A 24 3.236 -1.474 -1.468 1.00 0.00 H new ATOM 364 N ASP A 25 -1.758 -0.300 -6.496 1.00 0.00 N ATOM 365 CA ASP A 25 -3.063 -0.644 -7.069 1.00 0.00 C ATOM 366 C ASP A 25 -3.984 -1.240 -6.011 1.00 0.00 C ATOM 367 O ASP A 25 -5.018 -1.828 -6.325 1.00 0.00 O ATOM 368 CB ASP A 25 -2.920 -1.611 -8.252 1.00 0.00 C ATOM 369 CG ASP A 25 -2.742 -0.885 -9.570 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.736 -0.336 -10.099 1.00 0.00 O ATOM 371 OD2 ASP A 25 -1.601 -0.853 -10.086 1.00 0.00 O ATOM 0 H ASP A 25 -1.554 0.699 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.508 0.280 -7.438 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -2.065 -2.266 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -3.803 -2.248 -8.307 1.00 0.00 H new ATOM 376 N SER A 26 -3.623 -1.033 -4.754 1.00 0.00 N ATOM 377 CA SER A 26 -4.424 -1.494 -3.635 1.00 0.00 C ATOM 378 C SER A 26 -4.637 -0.357 -2.645 1.00 0.00 C ATOM 379 O SER A 26 -4.010 0.699 -2.752 1.00 0.00 O ATOM 380 CB SER A 26 -3.742 -2.679 -2.946 1.00 0.00 C ATOM 381 OG SER A 26 -2.866 -3.349 -3.839 1.00 0.00 O ATOM 0 H SER A 26 -2.770 -0.543 -4.484 1.00 0.00 H new ATOM 0 HA SER A 26 -5.394 -1.823 -4.007 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.184 -2.328 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.497 -3.375 -2.580 1.00 0.00 H new ATOM 0 HG SER A 26 -2.440 -4.101 -3.377 1.00 0.00 H new ATOM 387 N TYR A 27 -5.573 -0.548 -1.739 1.00 0.00 N ATOM 388 CA TYR A 27 -5.919 0.472 -0.770 1.00 0.00 C ATOM 389 C TYR A 27 -5.468 0.043 0.615 1.00 0.00 C ATOM 390 O TYR A 27 -5.209 -1.136 0.855 1.00 0.00 O ATOM 391 CB TYR A 27 -7.423 0.753 -0.815 1.00 0.00 C ATOM 392 CG TYR A 27 -7.980 0.739 -2.221 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.320 1.389 -3.260 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.151 0.056 -2.518 1.00 0.00 C ATOM 395 CE1 TYR A 27 -7.811 1.358 -4.546 1.00 0.00 C ATOM 396 CE2 TYR A 27 -9.651 0.026 -3.805 1.00 0.00 C ATOM 397 CZ TYR A 27 -8.975 0.677 -4.814 1.00 0.00 C ATOM 398 OH TYR A 27 -9.453 0.636 -6.103 1.00 0.00 O ATOM 0 H TYR A 27 -6.113 -1.409 -1.653 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.403 1.400 -1.017 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -7.945 0.008 -0.215 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.620 1.724 -0.361 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.407 1.927 -3.054 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -9.680 -0.460 -1.730 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.284 1.866 -5.340 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -10.567 -0.505 -4.019 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.283 0.115 -6.128 1.00 0.00 H new ATOM 408 N TRP A 28 -5.193 1.023 1.454 1.00 0.00 N ATOM 409 CA TRP A 28 -4.589 0.788 2.753 1.00 0.00 C ATOM 410 C TRP A 28 -5.231 1.695 3.790 1.00 0.00 C ATOM 411 O TRP A 28 -5.773 2.752 3.447 1.00 0.00 O ATOM 412 CB TRP A 28 -3.073 1.080 2.717 1.00 0.00 C ATOM 413 CG TRP A 28 -2.324 0.426 1.589 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.334 0.794 0.275 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.425 -0.687 1.684 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.518 -0.037 -0.454 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.947 -0.950 0.387 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.983 -1.487 2.735 1.00 0.00 C ATOM 419 CZ2 TRP A 28 -0.054 -1.982 0.114 1.00 0.00 C ATOM 420 CZ3 TRP A 28 -0.094 -2.510 2.465 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.362 -2.750 1.165 1.00 0.00 C ATOM 0 H TRP A 28 -5.382 2.005 1.255 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.747 -0.259 3.013 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -2.928 2.158 2.652 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.634 0.756 3.660 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -2.901 1.618 -0.132 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.363 0.019 -1.461 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.329 -1.311 3.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.297 -2.169 -0.890 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.255 -3.136 3.273 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.056 -3.558 0.988 1.00 0.00 H new ATOM 432 N HIS A 29 -5.013 1.376 5.055 1.00 0.00 N ATOM 433 CA HIS A 29 -5.402 2.271 6.133 1.00 0.00 C ATOM 434 C HIS A 29 -4.356 3.364 6.267 1.00 0.00 C ATOM 435 O HIS A 29 -3.262 3.250 5.714 1.00 0.00 O ATOM 436 CB HIS A 29 -5.506 1.524 7.461 1.00 0.00 C ATOM 437 CG HIS A 29 -6.844 0.918 7.733 1.00 0.00 C ATOM 438 ND1 HIS A 29 -7.017 -0.436 7.737 1.00 0.00 N ATOM 439 CD2 HIS A 29 -8.026 1.513 8.025 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.286 -0.653 8.028 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.943 0.505 8.212 1.00 0.00 N ATOM 0 H HIS A 29 -4.571 0.509 5.360 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.378 2.694 5.895 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.754 0.735 7.478 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.263 2.213 8.270 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.212 2.574 8.097 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.737 -1.631 8.108 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.930 0.615 8.445 1.00 0.00 H new ATOM 449 N SER A 30 -4.641 4.351 7.092 1.00 0.00 N ATOM 450 CA SER A 30 -3.687 5.405 7.364 1.00 0.00 C ATOM 451 C SER A 30 -2.470 4.850 8.111 1.00 0.00 C ATOM 452 O SER A 30 -1.331 5.134 7.757 1.00 0.00 O ATOM 453 CB SER A 30 -4.371 6.505 8.173 1.00 0.00 C ATOM 454 OG SER A 30 -5.788 6.387 8.082 1.00 0.00 O ATOM 0 H SER A 30 -5.528 4.445 7.587 1.00 0.00 H new ATOM 0 HA SER A 30 -3.332 5.825 6.423 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.062 6.442 9.216 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.058 7.482 7.806 1.00 0.00 H new ATOM 0 HG SER A 30 -6.076 6.601 7.170 1.00 0.00 H new ATOM 460 N ARG A 31 -2.719 4.019 9.116 1.00 0.00 N ATOM 461 CA ARG A 31 -1.641 3.432 9.908 1.00 0.00 C ATOM 462 C ARG A 31 -1.205 2.075 9.357 1.00 0.00 C ATOM 463 O ARG A 31 -0.328 1.421 9.919 1.00 0.00 O ATOM 464 CB ARG A 31 -2.085 3.279 11.362 1.00 0.00 C ATOM 465 CG ARG A 31 -0.941 3.295 12.363 1.00 0.00 C ATOM 466 CD ARG A 31 -1.466 3.366 13.787 1.00 0.00 C ATOM 467 NE ARG A 31 -2.142 4.633 14.063 1.00 0.00 N ATOM 468 CZ ARG A 31 -3.445 4.743 14.335 1.00 0.00 C ATOM 469 NH1 ARG A 31 -4.228 3.673 14.312 1.00 0.00 N ATOM 470 NH2 ARG A 31 -3.969 5.930 14.605 1.00 0.00 N ATOM 0 H ARG A 31 -3.656 3.736 9.403 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.786 4.106 9.852 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -2.779 4.084 11.606 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.633 2.343 11.467 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -0.333 2.399 12.240 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.293 4.150 12.167 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.158 2.542 13.959 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.638 3.238 14.485 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.583 5.486 14.047 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.836 2.759 14.086 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.222 3.764 14.521 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.377 6.761 14.605 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.964 6.013 14.813 1.00 0.00 H new ATOM 484 N CYS A 32 -1.807 1.646 8.257 1.00 0.00 N ATOM 485 CA CYS A 32 -1.432 0.380 7.649 1.00 0.00 C ATOM 486 C CYS A 32 -0.414 0.600 6.536 1.00 0.00 C ATOM 487 O CYS A 32 0.381 -0.288 6.230 1.00 0.00 O ATOM 488 CB CYS A 32 -2.659 -0.351 7.120 1.00 0.00 C ATOM 489 SG CYS A 32 -3.658 -1.172 8.408 1.00 0.00 S ATOM 0 H CYS A 32 -2.549 2.150 7.772 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.972 -0.243 8.416 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.289 0.360 6.586 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.337 -1.098 6.395 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.921 -0.979 8.167 1.00 0.00 H new ATOM 494 N LEU A 33 -0.355 1.817 6.018 1.00 0.00 N ATOM 495 CA LEU A 33 0.669 2.160 5.048 1.00 0.00 C ATOM 496 C LEU A 33 1.917 2.634 5.774 1.00 0.00 C ATOM 497 O LEU A 33 2.180 3.830 5.911 1.00 0.00 O ATOM 498 CB LEU A 33 0.181 3.218 4.065 1.00 0.00 C ATOM 499 CG LEU A 33 0.739 3.084 2.641 1.00 0.00 C ATOM 500 CD1 LEU A 33 2.005 3.903 2.482 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.013 1.630 2.298 1.00 0.00 C ATOM 0 H LEU A 33 -0.997 2.575 6.251 1.00 0.00 H new ATOM 0 HA LEU A 33 0.906 1.268 4.467 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.907 3.175 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.445 4.202 4.452 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.014 3.465 1.951 1.00 0.00 H new ATOM 0 HD11 LEU A 33 2.384 3.794 1.466 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.786 4.953 2.677 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.757 3.552 3.189 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.407 1.563 1.284 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.742 1.222 2.998 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.087 1.060 2.365 1.00 0.00 H new ATOM 513 N LYS A 34 2.630 1.671 6.311 1.00 0.00 N ATOM 514 CA LYS A 34 3.818 1.934 7.097 1.00 0.00 C ATOM 515 C LYS A 34 4.973 1.095 6.575 1.00 0.00 C ATOM 516 O LYS A 34 4.760 0.161 5.797 1.00 0.00 O ATOM 517 CB LYS A 34 3.539 1.628 8.578 1.00 0.00 C ATOM 518 CG LYS A 34 3.735 0.167 8.962 1.00 0.00 C ATOM 519 CD LYS A 34 2.444 -0.631 8.848 1.00 0.00 C ATOM 520 CE LYS A 34 2.580 -1.759 7.836 1.00 0.00 C ATOM 521 NZ LYS A 34 2.305 -3.092 8.435 1.00 0.00 N ATOM 0 H LYS A 34 2.404 0.681 6.216 1.00 0.00 H new ATOM 0 HA LYS A 34 4.091 2.986 7.010 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.193 2.245 9.194 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.515 1.919 8.811 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.494 -0.278 8.319 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.109 0.108 9.984 1.00 0.00 H new ATOM 0 HD2 LYS A 34 2.181 -1.043 9.822 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.630 0.030 8.552 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.892 -1.586 7.008 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.587 -1.751 7.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.492 -3.834 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.921 -3.235 9.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.310 -3.140 8.733 1.00 0.00 H new ATOM 535 N CYS A 35 6.188 1.454 6.964 1.00 0.00 N ATOM 536 CA CYS A 35 7.365 0.737 6.511 1.00 0.00 C ATOM 537 C CYS A 35 7.309 -0.724 6.944 1.00 0.00 C ATOM 538 O CYS A 35 6.793 -1.049 8.017 1.00 0.00 O ATOM 539 CB CYS A 35 8.633 1.394 7.050 1.00 0.00 C ATOM 540 SG CYS A 35 10.160 0.716 6.325 1.00 0.00 S ATOM 0 H CYS A 35 6.381 2.235 7.590 1.00 0.00 H new ATOM 0 HA CYS A 35 7.385 0.775 5.422 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.590 2.465 6.854 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.666 1.269 8.132 1.00 0.00 H new ATOM 0 HG CYS A 35 11.013 1.678 6.132 1.00 0.00 H new ATOM 545 N SER A 36 7.870 -1.595 6.123 1.00 0.00 N ATOM 546 CA SER A 36 7.896 -3.017 6.425 1.00 0.00 C ATOM 547 C SER A 36 8.977 -3.340 7.453 1.00 0.00 C ATOM 548 O SER A 36 9.014 -4.442 8.004 1.00 0.00 O ATOM 549 CB SER A 36 8.114 -3.823 5.144 1.00 0.00 C ATOM 550 OG SER A 36 7.244 -3.378 4.116 1.00 0.00 O ATOM 0 H SER A 36 8.315 -1.342 5.240 1.00 0.00 H new ATOM 0 HA SER A 36 6.933 -3.294 6.855 1.00 0.00 H new ATOM 0 HB2 SER A 36 9.150 -3.724 4.818 1.00 0.00 H new ATOM 0 HB3 SER A 36 7.941 -4.881 5.341 1.00 0.00 H new ATOM 0 HG SER A 36 7.566 -2.523 3.762 1.00 0.00 H new ATOM 556 N SER A 37 9.855 -2.382 7.712 1.00 0.00 N ATOM 557 CA SER A 37 10.914 -2.583 8.685 1.00 0.00 C ATOM 558 C SER A 37 10.749 -1.639 9.874 1.00 0.00 C ATOM 559 O SER A 37 10.852 -2.058 11.028 1.00 0.00 O ATOM 560 CB SER A 37 12.281 -2.378 8.034 1.00 0.00 C ATOM 561 OG SER A 37 12.146 -2.019 6.668 1.00 0.00 O ATOM 0 H SER A 37 9.854 -1.465 7.265 1.00 0.00 H new ATOM 0 HA SER A 37 10.848 -3.608 9.050 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.828 -1.599 8.566 1.00 0.00 H new ATOM 0 HB3 SER A 37 12.868 -3.293 8.117 1.00 0.00 H new ATOM 0 HG SER A 37 12.503 -1.117 6.530 1.00 0.00 H new ATOM 567 N CYS A 38 10.495 -0.364 9.592 1.00 0.00 N ATOM 568 CA CYS A 38 10.355 0.634 10.644 1.00 0.00 C ATOM 569 C CYS A 38 8.975 0.581 11.293 1.00 0.00 C ATOM 570 O CYS A 38 8.814 0.996 12.442 1.00 0.00 O ATOM 571 CB CYS A 38 10.591 2.030 10.079 1.00 0.00 C ATOM 572 SG CYS A 38 12.223 2.262 9.307 1.00 0.00 S ATOM 0 H CYS A 38 10.382 0.000 8.646 1.00 0.00 H new ATOM 0 HA CYS A 38 11.101 0.410 11.406 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.819 2.245 9.340 1.00 0.00 H new ATOM 0 HB3 CYS A 38 10.475 2.758 10.882 1.00 0.00 H new ATOM 0 HG CYS A 38 12.383 1.387 8.359 1.00 0.00 H new ATOM 577 N GLN A 39 7.973 0.195 10.504 1.00 0.00 N ATOM 578 CA GLN A 39 6.577 0.205 10.943 1.00 0.00 C ATOM 579 C GLN A 39 6.144 1.620 11.306 1.00 0.00 C ATOM 580 O GLN A 39 5.232 1.825 12.110 1.00 0.00 O ATOM 581 CB GLN A 39 6.356 -0.740 12.127 1.00 0.00 C ATOM 582 CG GLN A 39 6.676 -2.192 11.806 1.00 0.00 C ATOM 583 CD GLN A 39 5.477 -2.950 11.268 1.00 0.00 C ATOM 584 OE1 GLN A 39 4.628 -2.387 10.580 1.00 0.00 O ATOM 585 NE2 GLN A 39 5.391 -4.229 11.585 1.00 0.00 N ATOM 0 H GLN A 39 8.104 -0.132 9.547 1.00 0.00 H new ATOM 0 HA GLN A 39 5.965 -0.150 10.114 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.975 -0.415 12.963 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.318 -0.667 12.452 1.00 0.00 H new ATOM 0 HG2 GLN A 39 7.483 -2.229 11.074 1.00 0.00 H new ATOM 0 HG3 GLN A 39 7.040 -2.687 12.706 1.00 0.00 H new ATOM 0 HE21 GLN A 39 6.115 -4.662 12.158 1.00 0.00 H new ATOM 0 HE22 GLN A 39 4.601 -4.784 11.257 1.00 0.00 H new ATOM 594 N ALA A 40 6.759 2.589 10.643 1.00 0.00 N ATOM 595 CA ALA A 40 6.421 3.976 10.813 1.00 0.00 C ATOM 596 C ALA A 40 5.538 4.422 9.668 1.00 0.00 C ATOM 597 O ALA A 40 5.721 3.993 8.526 1.00 0.00 O ATOM 598 CB ALA A 40 7.679 4.826 10.886 1.00 0.00 C ATOM 0 H ALA A 40 7.509 2.424 9.971 1.00 0.00 H new ATOM 0 HA ALA A 40 5.878 4.102 11.750 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.404 5.873 11.015 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.287 4.504 11.731 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.249 4.712 9.964 1.00 0.00 H new ATOM 604 N GLN A 41 4.536 5.196 10.011 1.00 0.00 N ATOM 605 CA GLN A 41 3.546 5.675 9.056 1.00 0.00 C ATOM 606 C GLN A 41 4.230 6.439 7.925 1.00 0.00 C ATOM 607 O GLN A 41 4.916 7.432 8.166 1.00 0.00 O ATOM 608 CB GLN A 41 2.534 6.574 9.770 1.00 0.00 C ATOM 609 CG GLN A 41 1.100 6.340 9.336 1.00 0.00 C ATOM 610 CD GLN A 41 0.542 7.488 8.522 1.00 0.00 C ATOM 611 OE1 GLN A 41 0.837 7.621 7.339 1.00 0.00 O ATOM 612 NE2 GLN A 41 -0.263 8.327 9.155 1.00 0.00 N ATOM 0 H GLN A 41 4.377 5.517 10.966 1.00 0.00 H new ATOM 0 HA GLN A 41 3.021 4.821 8.627 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.611 6.410 10.845 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.794 7.616 9.587 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.047 5.424 8.748 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.478 6.189 10.218 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -0.482 8.179 10.140 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -0.664 9.122 8.658 1.00 0.00 H new ATOM 621 N LEU A 42 4.143 5.900 6.716 1.00 0.00 N ATOM 622 CA LEU A 42 4.852 6.470 5.579 1.00 0.00 C ATOM 623 C LEU A 42 4.123 7.687 5.023 1.00 0.00 C ATOM 624 O LEU A 42 4.751 8.640 4.568 1.00 0.00 O ATOM 625 CB LEU A 42 5.039 5.416 4.487 1.00 0.00 C ATOM 626 CG LEU A 42 6.245 4.492 4.683 1.00 0.00 C ATOM 627 CD1 LEU A 42 6.256 3.397 3.631 1.00 0.00 C ATOM 628 CD2 LEU A 42 7.544 5.285 4.639 1.00 0.00 C ATOM 0 H LEU A 42 3.590 5.071 6.498 1.00 0.00 H new ATOM 0 HA LEU A 42 5.832 6.798 5.926 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.137 4.806 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.140 5.922 3.527 1.00 0.00 H new ATOM 0 HG LEU A 42 6.160 4.026 5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 42 7.120 2.751 3.787 1.00 0.00 H new ATOM 0 HD12 LEU A 42 5.343 2.807 3.710 1.00 0.00 H new ATOM 0 HD13 LEU A 42 6.313 3.846 2.639 1.00 0.00 H new ATOM 0 HD21 LEU A 42 8.388 4.609 4.780 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.635 5.782 3.673 1.00 0.00 H new ATOM 0 HD23 LEU A 42 7.541 6.033 5.432 1.00 0.00 H new ATOM 640 N GLY A 43 2.801 7.698 5.158 1.00 0.00 N ATOM 641 CA GLY A 43 2.023 8.851 4.734 1.00 0.00 C ATOM 642 C GLY A 43 2.171 10.014 5.696 1.00 0.00 C ATOM 643 O GLY A 43 1.731 11.131 5.420 1.00 0.00 O ATOM 0 H GLY A 43 2.254 6.932 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.343 9.159 3.739 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.972 8.573 4.659 1.00 0.00 H new ATOM 647 N ASP A 44 2.828 9.744 6.815 1.00 0.00 N ATOM 648 CA ASP A 44 3.084 10.744 7.843 1.00 0.00 C ATOM 649 C ASP A 44 4.096 11.772 7.353 1.00 0.00 C ATOM 650 O ASP A 44 4.120 12.910 7.818 1.00 0.00 O ATOM 651 CB ASP A 44 3.618 10.054 9.096 1.00 0.00 C ATOM 652 CG ASP A 44 3.266 10.778 10.376 1.00 0.00 C ATOM 653 OD1 ASP A 44 2.166 11.358 10.461 1.00 0.00 O ATOM 654 OD2 ASP A 44 4.081 10.743 11.323 1.00 0.00 O ATOM 0 H ASP A 44 3.200 8.821 7.037 1.00 0.00 H new ATOM 0 HA ASP A 44 2.152 11.260 8.073 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.222 9.040 9.140 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.702 9.970 9.021 1.00 0.00 H new ATOM 659 N ILE A 45 4.939 11.354 6.417 1.00 0.00 N ATOM 660 CA ILE A 45 5.970 12.227 5.870 1.00 0.00 C ATOM 661 C ILE A 45 5.536 12.793 4.519 1.00 0.00 C ATOM 662 O ILE A 45 6.239 13.600 3.905 1.00 0.00 O ATOM 663 CB ILE A 45 7.317 11.482 5.714 1.00 0.00 C ATOM 664 CG1 ILE A 45 7.263 10.506 4.533 1.00 0.00 C ATOM 665 CG2 ILE A 45 7.665 10.744 7.002 1.00 0.00 C ATOM 666 CD1 ILE A 45 8.608 9.928 4.156 1.00 0.00 C ATOM 0 H ILE A 45 4.929 10.414 6.020 1.00 0.00 H new ATOM 0 HA ILE A 45 6.110 13.047 6.574 1.00 0.00 H new ATOM 0 HB ILE A 45 8.096 12.217 5.512 1.00 0.00 H new ATOM 0 HG12 ILE A 45 6.584 9.690 4.779 1.00 0.00 H new ATOM 0 HG13 ILE A 45 6.844 11.020 3.668 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.615 10.224 6.878 1.00 0.00 H new ATOM 0 HG22 ILE A 45 7.747 11.459 7.820 1.00 0.00 H new ATOM 0 HG23 ILE A 45 6.882 10.020 7.229 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.488 9.247 3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.286 10.735 3.877 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.021 9.384 5.005 1.00 0.00 H new ATOM 677 N GLY A 46 4.359 12.381 4.073 1.00 0.00 N ATOM 678 CA GLY A 46 3.842 12.840 2.804 1.00 0.00 C ATOM 679 C GLY A 46 3.521 11.685 1.886 1.00 0.00 C ATOM 680 O GLY A 46 2.824 10.753 2.280 1.00 0.00 O ATOM 0 H GLY A 46 3.750 11.733 4.572 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.944 13.435 2.970 1.00 0.00 H new ATOM 0 HA3 GLY A 46 4.573 13.493 2.327 1.00 0.00 H new ATOM 684 N THR A 47 4.126 11.678 0.712 1.00 0.00 N ATOM 685 CA THR A 47 3.988 10.552 -0.183 1.00 0.00 C ATOM 686 C THR A 47 5.363 10.070 -0.627 1.00 0.00 C ATOM 687 O THR A 47 6.026 10.688 -1.461 1.00 0.00 O ATOM 688 CB THR A 47 3.112 10.905 -1.412 1.00 0.00 C ATOM 689 OG1 THR A 47 3.355 9.991 -2.488 1.00 0.00 O ATOM 690 CG2 THR A 47 3.363 12.331 -1.885 1.00 0.00 C ATOM 0 H THR A 47 4.713 12.435 0.361 1.00 0.00 H new ATOM 0 HA THR A 47 3.485 9.750 0.357 1.00 0.00 H new ATOM 0 HB THR A 47 2.071 10.823 -1.101 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.501 9.659 -2.834 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.732 12.544 -2.748 1.00 0.00 H new ATOM 0 HG22 THR A 47 3.126 13.028 -1.081 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.411 12.442 -2.165 1.00 0.00 H new ATOM 698 N SER A 48 5.799 8.969 -0.038 1.00 0.00 N ATOM 699 CA SER A 48 7.082 8.386 -0.364 1.00 0.00 C ATOM 700 C SER A 48 7.136 6.934 0.080 1.00 0.00 C ATOM 701 O SER A 48 7.163 6.633 1.271 1.00 0.00 O ATOM 702 CB SER A 48 8.221 9.183 0.277 1.00 0.00 C ATOM 703 OG SER A 48 8.541 10.324 -0.502 1.00 0.00 O ATOM 0 H SER A 48 5.275 8.460 0.674 1.00 0.00 H new ATOM 0 HA SER A 48 7.206 8.423 -1.446 1.00 0.00 H new ATOM 0 HB2 SER A 48 7.933 9.493 1.282 1.00 0.00 H new ATOM 0 HB3 SER A 48 9.102 8.549 0.379 1.00 0.00 H new ATOM 0 HG SER A 48 7.778 10.555 -1.072 1.00 0.00 H new ATOM 709 N SER A 49 7.164 6.046 -0.892 1.00 0.00 N ATOM 710 CA SER A 49 7.273 4.621 -0.648 1.00 0.00 C ATOM 711 C SER A 49 7.920 3.970 -1.848 1.00 0.00 C ATOM 712 O SER A 49 7.514 4.222 -2.982 1.00 0.00 O ATOM 713 CB SER A 49 5.898 4.014 -0.394 1.00 0.00 C ATOM 714 OG SER A 49 4.878 4.859 -0.891 1.00 0.00 O ATOM 0 H SER A 49 7.111 6.293 -1.880 1.00 0.00 H new ATOM 0 HA SER A 49 7.884 4.450 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.833 3.037 -0.872 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.757 3.856 0.675 1.00 0.00 H new ATOM 0 HG SER A 49 4.056 4.341 -1.016 1.00 0.00 H new ATOM 720 N TYR A 50 9.005 3.261 -1.617 1.00 0.00 N ATOM 721 CA TYR A 50 9.774 2.706 -2.716 1.00 0.00 C ATOM 722 C TYR A 50 9.193 1.384 -3.174 1.00 0.00 C ATOM 723 O TYR A 50 9.183 0.401 -2.427 1.00 0.00 O ATOM 724 CB TYR A 50 11.241 2.553 -2.323 1.00 0.00 C ATOM 725 CG TYR A 50 12.037 3.803 -2.607 1.00 0.00 C ATOM 726 CD1 TYR A 50 12.097 4.324 -3.891 1.00 0.00 C ATOM 727 CD2 TYR A 50 12.704 4.476 -1.595 1.00 0.00 C ATOM 728 CE1 TYR A 50 12.803 5.476 -4.159 1.00 0.00 C ATOM 729 CE2 TYR A 50 13.408 5.633 -1.856 1.00 0.00 C ATOM 730 CZ TYR A 50 13.457 6.128 -3.138 1.00 0.00 C ATOM 731 OH TYR A 50 14.153 7.282 -3.399 1.00 0.00 O ATOM 0 H TYR A 50 9.373 3.056 -0.688 1.00 0.00 H new ATOM 0 HA TYR A 50 9.718 3.401 -3.554 1.00 0.00 H new ATOM 0 HB2 TYR A 50 11.309 2.314 -1.262 1.00 0.00 H new ATOM 0 HB3 TYR A 50 11.676 1.715 -2.867 1.00 0.00 H new ATOM 0 HD1 TYR A 50 11.582 3.818 -4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 50 12.672 4.089 -0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 50 12.843 5.866 -5.165 1.00 0.00 H new ATOM 0 HE2 TYR A 50 13.919 6.148 -1.056 1.00 0.00 H new ATOM 0 HH TYR A 50 13.734 7.754 -4.149 1.00 0.00 H new ATOM 741 N THR A 51 8.649 1.387 -4.381 1.00 0.00 N ATOM 742 CA THR A 51 7.983 0.218 -4.911 1.00 0.00 C ATOM 743 C THR A 51 8.973 -0.722 -5.581 1.00 0.00 C ATOM 744 O THR A 51 9.349 -0.542 -6.742 1.00 0.00 O ATOM 745 CB THR A 51 6.909 0.614 -5.936 1.00 0.00 C ATOM 746 OG1 THR A 51 6.700 2.035 -5.906 1.00 0.00 O ATOM 747 CG2 THR A 51 5.607 -0.115 -5.654 1.00 0.00 C ATOM 0 H THR A 51 8.658 2.190 -5.010 1.00 0.00 H new ATOM 0 HA THR A 51 7.514 -0.291 -4.069 1.00 0.00 H new ATOM 0 HB THR A 51 7.255 0.328 -6.929 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.139 2.299 -6.665 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.859 0.179 -6.390 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.772 -1.191 -5.713 1.00 0.00 H new ATOM 0 HG23 THR A 51 5.254 0.143 -4.656 1.00 0.00 H new ATOM 755 N LYS A 52 9.339 -1.755 -4.850 1.00 0.00 N ATOM 756 CA LYS A 52 10.212 -2.797 -5.353 1.00 0.00 C ATOM 757 C LYS A 52 9.985 -4.049 -4.527 1.00 0.00 C ATOM 758 O LYS A 52 9.788 -3.953 -3.309 1.00 0.00 O ATOM 759 CB LYS A 52 11.682 -2.362 -5.285 1.00 0.00 C ATOM 760 CG LYS A 52 11.985 -1.432 -4.130 1.00 0.00 C ATOM 761 CD LYS A 52 12.694 -2.164 -3.013 1.00 0.00 C ATOM 762 CE LYS A 52 12.064 -1.862 -1.673 1.00 0.00 C ATOM 763 NZ LYS A 52 11.230 -2.991 -1.193 1.00 0.00 N ATOM 0 H LYS A 52 9.038 -1.896 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 52 9.982 -2.995 -6.400 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.311 -3.248 -5.202 1.00 0.00 H new ATOM 0 HB3 LYS A 52 11.950 -1.868 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.604 -0.605 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 52 11.058 -1.000 -3.754 1.00 0.00 H new ATOM 0 HD2 LYS A 52 12.660 -3.237 -3.200 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.745 -1.876 -2.996 1.00 0.00 H new ATOM 0 HE2 LYS A 52 12.845 -1.650 -0.943 1.00 0.00 H new ATOM 0 HE3 LYS A 52 11.451 -0.965 -1.753 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.381 -2.619 -0.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 10.947 -3.582 -2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 11.777 -3.564 -0.519 1.00 0.00 H new ATOM 777 N SER A 53 9.918 -5.198 -5.190 1.00 0.00 N ATOM 778 CA SER A 53 9.658 -6.478 -4.523 1.00 0.00 C ATOM 779 C SER A 53 8.258 -6.508 -3.907 1.00 0.00 C ATOM 780 O SER A 53 7.988 -7.314 -3.017 1.00 0.00 O ATOM 781 CB SER A 53 10.703 -6.737 -3.431 1.00 0.00 C ATOM 782 OG SER A 53 11.944 -6.124 -3.747 1.00 0.00 O ATOM 0 H SER A 53 10.041 -5.274 -6.200 1.00 0.00 H new ATOM 0 HA SER A 53 9.723 -7.261 -5.278 1.00 0.00 H new ATOM 0 HB2 SER A 53 10.338 -6.354 -2.478 1.00 0.00 H new ATOM 0 HB3 SER A 53 10.846 -7.811 -3.309 1.00 0.00 H new ATOM 0 HG SER A 53 12.458 -5.982 -2.925 1.00 0.00 H new ATOM 788 N GLY A 54 7.415 -5.553 -4.301 1.00 0.00 N ATOM 789 CA GLY A 54 6.112 -5.407 -3.678 1.00 0.00 C ATOM 790 C GLY A 54 6.240 -5.091 -2.200 1.00 0.00 C ATOM 791 O GLY A 54 5.351 -5.394 -1.406 1.00 0.00 O ATOM 0 H GLY A 54 7.613 -4.879 -5.041 1.00 0.00 H new ATOM 0 HA2 GLY A 54 5.556 -4.612 -4.175 1.00 0.00 H new ATOM 0 HA3 GLY A 54 5.540 -6.326 -3.807 1.00 0.00 H new ATOM 795 N MET A 55 7.403 -4.579 -1.824 1.00 0.00 N ATOM 796 CA MET A 55 7.729 -4.348 -0.435 1.00 0.00 C ATOM 797 C MET A 55 7.845 -2.857 -0.159 1.00 0.00 C ATOM 798 O MET A 55 8.703 -2.178 -0.723 1.00 0.00 O ATOM 799 CB MET A 55 9.041 -5.058 -0.105 1.00 0.00 C ATOM 800 CG MET A 55 9.335 -5.169 1.379 1.00 0.00 C ATOM 801 SD MET A 55 11.105 -5.119 1.723 1.00 0.00 S ATOM 802 CE MET A 55 11.715 -6.373 0.595 1.00 0.00 C ATOM 0 H MET A 55 8.142 -4.314 -2.476 1.00 0.00 H new ATOM 0 HA MET A 55 6.935 -4.747 0.196 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.016 -6.060 -0.534 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.860 -4.525 -0.587 1.00 0.00 H new ATOM 0 HG2 MET A 55 8.840 -4.355 1.909 1.00 0.00 H new ATOM 0 HG3 MET A 55 8.917 -6.100 1.763 1.00 0.00 H new ATOM 0 HE1 MET A 55 12.739 -6.634 0.861 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.085 -7.260 0.662 1.00 0.00 H new ATOM 0 HE3 MET A 55 11.691 -5.988 -0.424 1.00 0.00 H new ATOM 812 N ILE A 56 6.977 -2.360 0.703 1.00 0.00 N ATOM 813 CA ILE A 56 6.957 -0.942 1.053 1.00 0.00 C ATOM 814 C ILE A 56 8.081 -0.604 2.025 1.00 0.00 C ATOM 815 O ILE A 56 8.076 -1.050 3.173 1.00 0.00 O ATOM 816 CB ILE A 56 5.611 -0.515 1.685 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.537 -1.584 1.467 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.160 0.818 1.106 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.271 -1.332 2.252 1.00 0.00 C ATOM 0 H ILE A 56 6.269 -2.919 1.180 1.00 0.00 H new ATOM 0 HA ILE A 56 7.094 -0.395 0.120 1.00 0.00 H new ATOM 0 HB ILE A 56 5.758 -0.402 2.759 1.00 0.00 H new ATOM 0 HG12 ILE A 56 4.294 -1.633 0.406 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.941 -2.557 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.212 1.109 1.558 1.00 0.00 H new ATOM 0 HG22 ILE A 56 5.911 1.579 1.317 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.034 0.722 0.028 1.00 0.00 H new ATOM 0 HD11 ILE A 56 2.553 -2.127 2.050 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.501 -1.312 3.317 1.00 0.00 H new ATOM 0 HD13 ILE A 56 2.844 -0.374 1.956 1.00 0.00 H new ATOM 830 N LEU A 57 9.022 0.207 1.569 1.00 0.00 N ATOM 831 CA LEU A 57 10.119 0.654 2.419 1.00 0.00 C ATOM 832 C LEU A 57 10.200 2.169 2.421 1.00 0.00 C ATOM 833 O LEU A 57 9.656 2.827 1.529 1.00 0.00 O ATOM 834 CB LEU A 57 11.458 0.084 1.943 1.00 0.00 C ATOM 835 CG LEU A 57 11.569 -1.438 1.944 1.00 0.00 C ATOM 836 CD1 LEU A 57 12.942 -1.864 1.454 1.00 0.00 C ATOM 837 CD2 LEU A 57 11.298 -1.995 3.333 1.00 0.00 C ATOM 0 H LEU A 57 9.050 0.570 0.616 1.00 0.00 H new ATOM 0 HA LEU A 57 9.921 0.293 3.428 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.645 0.443 0.931 1.00 0.00 H new ATOM 0 HB3 LEU A 57 12.249 0.488 2.575 1.00 0.00 H new ATOM 0 HG LEU A 57 10.818 -1.841 1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 57 13.009 -2.952 1.459 1.00 0.00 H new ATOM 0 HD12 LEU A 57 13.097 -1.496 0.440 1.00 0.00 H new ATOM 0 HD13 LEU A 57 13.707 -1.450 2.111 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.382 -3.082 3.312 1.00 0.00 H new ATOM 0 HD22 LEU A 57 12.025 -1.588 4.036 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.293 -1.715 3.648 1.00 0.00 H new ATOM 849 N CYS A 58 10.959 2.703 3.366 1.00 0.00 N ATOM 850 CA CYS A 58 11.202 4.127 3.437 1.00 0.00 C ATOM 851 C CYS A 58 12.305 4.525 2.464 1.00 0.00 C ATOM 852 O CYS A 58 12.882 3.675 1.779 1.00 0.00 O ATOM 853 CB CYS A 58 11.597 4.514 4.862 1.00 0.00 C ATOM 854 SG CYS A 58 12.920 3.483 5.582 1.00 0.00 S ATOM 0 H CYS A 58 11.419 2.162 4.098 1.00 0.00 H new ATOM 0 HA CYS A 58 10.288 4.654 3.163 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.921 5.555 4.867 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.716 4.451 5.500 1.00 0.00 H new ATOM 0 HG CYS A 58 12.584 3.125 6.786 1.00 0.00 H new ATOM 859 N ARG A 59 12.659 5.798 2.478 1.00 0.00 N ATOM 860 CA ARG A 59 13.750 6.289 1.651 1.00 0.00 C ATOM 861 C ARG A 59 15.091 5.994 2.308 1.00 0.00 C ATOM 862 O ARG A 59 16.140 6.143 1.691 1.00 0.00 O ATOM 863 CB ARG A 59 13.602 7.792 1.409 1.00 0.00 C ATOM 864 CG ARG A 59 12.531 8.140 0.391 1.00 0.00 C ATOM 865 CD ARG A 59 13.050 9.105 -0.660 1.00 0.00 C ATOM 866 NE ARG A 59 12.021 10.052 -1.079 1.00 0.00 N ATOM 867 CZ ARG A 59 11.932 11.301 -0.635 1.00 0.00 C ATOM 868 NH1 ARG A 59 12.861 11.804 0.166 1.00 0.00 N ATOM 869 NH2 ARG A 59 10.935 12.066 -1.034 1.00 0.00 N ATOM 0 H ARG A 59 12.208 6.511 3.052 1.00 0.00 H new ATOM 0 HA ARG A 59 13.711 5.774 0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.367 8.282 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 59 14.557 8.193 1.071 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.179 7.229 -0.093 1.00 0.00 H new ATOM 0 HG3 ARG A 59 11.674 8.582 0.900 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.906 9.650 -0.262 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.403 8.545 -1.526 1.00 0.00 H new ATOM 0 HE ARG A 59 11.327 9.735 -1.755 1.00 0.00 H new ATOM 0 HH11 ARG A 59 13.656 11.231 0.448 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.781 12.764 0.500 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.237 11.698 -1.680 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.862 13.026 -0.696 1.00 0.00 H new ATOM 883 N ASN A 60 15.050 5.566 3.564 1.00 0.00 N ATOM 884 CA ASN A 60 16.270 5.260 4.302 1.00 0.00 C ATOM 885 C ASN A 60 16.613 3.780 4.191 1.00 0.00 C ATOM 886 O ASN A 60 17.753 3.417 3.907 1.00 0.00 O ATOM 887 CB ASN A 60 16.120 5.644 5.777 1.00 0.00 C ATOM 888 CG ASN A 60 17.316 5.211 6.605 1.00 0.00 C ATOM 889 OD1 ASN A 60 18.429 5.698 6.412 1.00 0.00 O ATOM 890 ND2 ASN A 60 17.100 4.289 7.527 1.00 0.00 N ATOM 0 H ASN A 60 14.189 5.423 4.091 1.00 0.00 H new ATOM 0 HA ASN A 60 17.080 5.843 3.864 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.995 6.724 5.859 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.216 5.187 6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.871 3.958 8.108 1.00 0.00 H new ATOM 0 HD22 ASN A 60 16.163 3.908 7.658 1.00 0.00 H new ATOM 897 N ASP A 61 15.624 2.932 4.444 1.00 0.00 N ATOM 898 CA ASP A 61 15.827 1.487 4.426 1.00 0.00 C ATOM 899 C ASP A 61 16.214 1.017 3.035 1.00 0.00 C ATOM 900 O ASP A 61 17.035 0.113 2.876 1.00 0.00 O ATOM 901 CB ASP A 61 14.557 0.762 4.875 1.00 0.00 C ATOM 902 CG ASP A 61 14.422 0.688 6.384 1.00 0.00 C ATOM 903 OD1 ASP A 61 15.452 0.820 7.091 1.00 0.00 O ATOM 904 OD2 ASP A 61 13.302 0.442 6.872 1.00 0.00 O ATOM 0 H ASP A 61 14.671 3.220 4.665 1.00 0.00 H new ATOM 0 HA ASP A 61 16.636 1.253 5.117 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.687 1.273 4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 61 14.557 -0.248 4.465 1.00 0.00 H new ATOM 909 N TYR A 62 15.635 1.662 2.031 1.00 0.00 N ATOM 910 CA TYR A 62 15.908 1.338 0.638 1.00 0.00 C ATOM 911 C TYR A 62 17.400 1.406 0.334 1.00 0.00 C ATOM 912 O TYR A 62 17.928 0.570 -0.395 1.00 0.00 O ATOM 913 CB TYR A 62 15.158 2.303 -0.275 1.00 0.00 C ATOM 914 CG TYR A 62 15.282 1.969 -1.741 1.00 0.00 C ATOM 915 CD1 TYR A 62 14.758 0.789 -2.244 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.919 2.834 -2.622 1.00 0.00 C ATOM 917 CE1 TYR A 62 14.862 0.477 -3.584 1.00 0.00 C ATOM 918 CE2 TYR A 62 16.029 2.528 -3.965 1.00 0.00 C ATOM 919 CZ TYR A 62 15.497 1.349 -4.441 1.00 0.00 C ATOM 920 OH TYR A 62 15.590 1.040 -5.779 1.00 0.00 O ATOM 0 H TYR A 62 14.966 2.421 2.159 1.00 0.00 H new ATOM 0 HA TYR A 62 15.568 0.318 0.458 1.00 0.00 H new ATOM 0 HB2 TYR A 62 14.103 2.305 0.000 1.00 0.00 H new ATOM 0 HB3 TYR A 62 15.533 3.313 -0.108 1.00 0.00 H new ATOM 0 HD1 TYR A 62 14.260 0.102 -1.576 1.00 0.00 H new ATOM 0 HD2 TYR A 62 16.334 3.760 -2.252 1.00 0.00 H new ATOM 0 HE1 TYR A 62 14.447 -0.447 -3.959 1.00 0.00 H new ATOM 0 HE2 TYR A 62 16.529 3.209 -4.638 1.00 0.00 H new ATOM 0 HH TYR A 62 16.065 1.757 -6.248 1.00 0.00 H new ATOM 930 N ILE A 63 18.056 2.424 0.865 1.00 0.00 N ATOM 931 CA ILE A 63 19.469 2.661 0.594 1.00 0.00 C ATOM 932 C ILE A 63 20.346 1.531 1.131 1.00 0.00 C ATOM 933 O ILE A 63 21.381 1.207 0.553 1.00 0.00 O ATOM 934 CB ILE A 63 19.932 3.995 1.218 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.975 5.132 0.845 1.00 0.00 C ATOM 936 CG2 ILE A 63 21.352 4.329 0.789 1.00 0.00 C ATOM 937 CD1 ILE A 63 18.690 5.237 -0.638 1.00 0.00 C ATOM 0 H ILE A 63 17.630 3.107 1.492 1.00 0.00 H new ATOM 0 HA ILE A 63 19.578 2.705 -0.490 1.00 0.00 H new ATOM 0 HB ILE A 63 19.921 3.881 2.302 1.00 0.00 H new ATOM 0 HG12 ILE A 63 18.034 4.989 1.376 1.00 0.00 H new ATOM 0 HG13 ILE A 63 19.396 6.076 1.191 1.00 0.00 H new ATOM 0 HG21 ILE A 63 21.656 5.273 1.241 1.00 0.00 H new ATOM 0 HG22 ILE A 63 22.026 3.537 1.115 1.00 0.00 H new ATOM 0 HG23 ILE A 63 21.393 4.417 -0.297 1.00 0.00 H new ATOM 0 HD11 ILE A 63 18.005 6.065 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 63 19.622 5.412 -1.176 1.00 0.00 H new ATOM 0 HD13 ILE A 63 18.238 4.309 -0.988 1.00 0.00 H new ATOM 948 N ARG A 64 19.951 0.960 2.259 1.00 0.00 N ATOM 949 CA ARG A 64 20.741 -0.089 2.887 1.00 0.00 C ATOM 950 C ARG A 64 20.409 -1.461 2.307 1.00 0.00 C ATOM 951 O ARG A 64 21.242 -2.369 2.324 1.00 0.00 O ATOM 952 CB ARG A 64 20.517 -0.092 4.400 1.00 0.00 C ATOM 953 CG ARG A 64 21.805 0.028 5.199 1.00 0.00 C ATOM 954 CD ARG A 64 21.793 1.251 6.100 1.00 0.00 C ATOM 955 NE ARG A 64 22.032 2.488 5.353 1.00 0.00 N ATOM 956 CZ ARG A 64 21.163 3.493 5.281 1.00 0.00 C ATOM 957 NH1 ARG A 64 20.020 3.441 5.952 1.00 0.00 N ATOM 958 NH2 ARG A 64 21.450 4.567 4.559 1.00 0.00 N ATOM 0 H ARG A 64 19.094 1.203 2.756 1.00 0.00 H new ATOM 0 HA ARG A 64 21.791 0.120 2.681 1.00 0.00 H new ATOM 0 HB2 ARG A 64 19.856 0.733 4.664 1.00 0.00 H new ATOM 0 HB3 ARG A 64 20.007 -1.013 4.683 1.00 0.00 H new ATOM 0 HG2 ARG A 64 21.944 -0.868 5.803 1.00 0.00 H new ATOM 0 HG3 ARG A 64 22.653 0.087 4.517 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.832 1.316 6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 64 22.556 1.140 6.871 1.00 0.00 H new ATOM 0 HE ARG A 64 22.918 2.585 4.858 1.00 0.00 H new ATOM 0 HH11 ARG A 64 19.803 2.627 6.527 1.00 0.00 H new ATOM 0 HH12 ARG A 64 19.358 4.215 5.893 1.00 0.00 H new ATOM 0 HH21 ARG A 64 22.337 4.623 4.059 1.00 0.00 H new ATOM 0 HH22 ARG A 64 20.784 5.337 4.504 1.00 0.00 H new ATOM 972 N LEU A 65 19.163 -1.640 1.892 1.00 0.00 N ATOM 973 CA LEU A 65 18.704 -2.946 1.435 1.00 0.00 C ATOM 974 C LEU A 65 18.873 -3.132 -0.072 1.00 0.00 C ATOM 975 O LEU A 65 19.116 -4.248 -0.536 1.00 0.00 O ATOM 976 CB LEU A 65 17.234 -3.156 1.815 1.00 0.00 C ATOM 977 CG LEU A 65 16.921 -3.043 3.309 1.00 0.00 C ATOM 978 CD1 LEU A 65 15.420 -3.066 3.546 1.00 0.00 C ATOM 979 CD2 LEU A 65 17.599 -4.162 4.086 1.00 0.00 C ATOM 0 H LEU A 65 18.456 -0.905 1.862 1.00 0.00 H new ATOM 0 HA LEU A 65 19.327 -3.690 1.931 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.629 -2.425 1.278 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.924 -4.142 1.469 1.00 0.00 H new ATOM 0 HG LEU A 65 17.311 -2.090 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 65 15.219 -2.985 4.614 1.00 0.00 H new ATOM 0 HD12 LEU A 65 14.956 -2.228 3.025 1.00 0.00 H new ATOM 0 HD13 LEU A 65 15.006 -4.002 3.169 1.00 0.00 H new ATOM 0 HD21 LEU A 65 17.364 -4.063 5.146 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.241 -5.126 3.723 1.00 0.00 H new ATOM 0 HD23 LEU A 65 18.678 -4.100 3.947 1.00 0.00 H new ATOM 991 N PHE A 66 18.613 -2.081 -0.843 1.00 0.00 N ATOM 992 CA PHE A 66 18.594 -2.204 -2.299 1.00 0.00 C ATOM 993 C PHE A 66 19.531 -1.210 -2.976 1.00 0.00 C ATOM 994 O PHE A 66 20.171 -1.535 -3.978 1.00 0.00 O ATOM 995 CB PHE A 66 17.176 -1.980 -2.822 1.00 0.00 C ATOM 996 CG PHE A 66 16.226 -3.106 -2.531 1.00 0.00 C ATOM 997 CD1 PHE A 66 15.661 -3.255 -1.274 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.884 -4.007 -3.523 1.00 0.00 C ATOM 999 CE1 PHE A 66 14.775 -4.282 -1.014 1.00 0.00 C ATOM 1000 CE2 PHE A 66 15.001 -5.036 -3.269 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.444 -5.173 -2.013 1.00 0.00 C ATOM 0 H PHE A 66 18.415 -1.145 -0.491 1.00 0.00 H new ATOM 0 HA PHE A 66 18.937 -3.211 -2.538 1.00 0.00 H new ATOM 0 HB2 PHE A 66 16.780 -1.064 -2.384 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.219 -1.826 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 66 15.917 -2.559 -0.488 1.00 0.00 H new ATOM 0 HD2 PHE A 66 16.313 -3.904 -4.509 1.00 0.00 H new ATOM 0 HE1 PHE A 66 14.342 -4.387 -0.030 1.00 0.00 H new ATOM 0 HE2 PHE A 66 14.745 -5.734 -4.052 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.750 -5.976 -1.813 1.00 0.00 H new ATOM 1011 N GLY A 67 19.540 0.018 -2.483 1.00 0.00 N ATOM 1012 CA GLY A 67 20.321 1.063 -3.111 1.00 0.00 C ATOM 1013 C GLY A 67 21.791 0.988 -2.763 1.00 0.00 C ATOM 1014 O GLY A 67 22.223 0.085 -2.044 1.00 0.00 O ATOM 0 H GLY A 67 19.019 0.311 -1.657 1.00 0.00 H new ATOM 0 HA2 GLY A 67 20.205 0.996 -4.193 1.00 0.00 H new ATOM 0 HA3 GLY A 67 19.930 2.034 -2.808 1.00 0.00 H new ATOM 1424 N GLU A 102 9.383 6.782 -5.497 1.00 0.00 N ATOM 1425 CA GLU A 102 8.899 7.011 -4.143 1.00 0.00 C ATOM 1426 C GLU A 102 7.468 7.542 -4.148 1.00 0.00 C ATOM 1427 O GLU A 102 6.767 7.455 -3.143 1.00 0.00 O ATOM 1428 CB GLU A 102 9.818 7.974 -3.386 1.00 0.00 C ATOM 1429 CG GLU A 102 10.467 9.024 -4.269 1.00 0.00 C ATOM 1430 CD GLU A 102 9.704 10.333 -4.279 1.00 0.00 C ATOM 1431 OE1 GLU A 102 9.836 11.114 -3.313 1.00 0.00 O ATOM 1432 OE2 GLU A 102 8.990 10.593 -5.264 1.00 0.00 O ATOM 0 HA GLU A 102 8.905 6.050 -3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.242 8.474 -2.607 1.00 0.00 H new ATOM 0 HB3 GLU A 102 10.599 7.400 -2.887 1.00 0.00 H new ATOM 0 HG2 GLU A 102 11.485 9.204 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 102 10.539 8.642 -5.287 1.00 0.00 H new ATOM 1439 N ARG A 103 7.032 8.081 -5.278 1.00 0.00 N ATOM 1440 CA ARG A 103 5.687 8.641 -5.394 1.00 0.00 C ATOM 1441 C ARG A 103 4.639 7.533 -5.555 1.00 0.00 C ATOM 1442 O ARG A 103 3.817 7.553 -6.476 1.00 0.00 O ATOM 1443 CB ARG A 103 5.622 9.622 -6.572 1.00 0.00 C ATOM 1444 CG ARG A 103 4.435 10.576 -6.520 1.00 0.00 C ATOM 1445 CD ARG A 103 4.469 11.457 -5.281 1.00 0.00 C ATOM 1446 NE ARG A 103 5.113 12.744 -5.536 1.00 0.00 N ATOM 1447 CZ ARG A 103 4.537 13.925 -5.327 1.00 0.00 C ATOM 1448 NH1 ARG A 103 3.293 13.992 -4.870 1.00 0.00 N ATOM 1449 NH2 ARG A 103 5.210 15.045 -5.573 1.00 0.00 N ATOM 0 H ARG A 103 7.589 8.144 -6.130 1.00 0.00 H new ATOM 0 HA ARG A 103 5.462 9.181 -4.475 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.543 10.205 -6.597 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.579 9.055 -7.502 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.434 11.203 -7.411 1.00 0.00 H new ATOM 0 HG3 ARG A 103 3.508 10.003 -6.533 1.00 0.00 H new ATOM 0 HD2 ARG A 103 3.451 11.625 -4.929 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.001 10.938 -4.483 1.00 0.00 H new ATOM 0 HE ARG A 103 6.067 12.736 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 103 2.774 13.136 -4.677 1.00 0.00 H new ATOM 0 HH12 ARG A 103 2.856 14.900 -4.711 1.00 0.00 H new ATOM 0 HH21 ARG A 103 6.167 14.999 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG A 103 4.769 15.951 -5.413 1.00 0.00 H new ATOM 1463 N LEU A 104 4.668 6.570 -4.647 1.00 0.00 N ATOM 1464 CA LEU A 104 3.727 5.462 -4.673 1.00 0.00 C ATOM 1465 C LEU A 104 2.518 5.763 -3.797 1.00 0.00 C ATOM 1466 O LEU A 104 1.447 5.184 -3.982 1.00 0.00 O ATOM 1467 CB LEU A 104 4.409 4.173 -4.205 1.00 0.00 C ATOM 1468 CG LEU A 104 3.473 2.978 -4.005 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.099 2.363 -5.344 1.00 0.00 C ATOM 1470 CD2 LEU A 104 4.115 1.941 -3.097 1.00 0.00 C ATOM 0 H LEU A 104 5.338 6.534 -3.878 1.00 0.00 H new ATOM 0 HA LEU A 104 3.386 5.327 -5.699 1.00 0.00 H new ATOM 0 HB2 LEU A 104 5.172 3.899 -4.934 1.00 0.00 H new ATOM 0 HB3 LEU A 104 4.923 4.373 -3.265 1.00 0.00 H new ATOM 0 HG LEU A 104 2.561 3.332 -3.525 1.00 0.00 H new ATOM 0 HD11 LEU A 104 2.433 1.515 -5.182 1.00 0.00 H new ATOM 0 HD12 LEU A 104 2.594 3.108 -5.958 1.00 0.00 H new ATOM 0 HD13 LEU A 104 4.001 2.024 -5.853 1.00 0.00 H new ATOM 0 HD21 LEU A 104 3.434 1.100 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 104 5.044 1.590 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 104 4.327 2.389 -2.126 1.00 0.00 H new ATOM 1482 N ILE A 105 2.682 6.672 -2.845 1.00 0.00 N ATOM 1483 CA ILE A 105 1.585 7.028 -1.958 1.00 0.00 C ATOM 1484 C ILE A 105 0.591 7.942 -2.672 1.00 0.00 C ATOM 1485 O ILE A 105 0.854 9.127 -2.888 1.00 0.00 O ATOM 1486 CB ILE A 105 2.081 7.701 -0.655 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.733 6.660 0.259 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.935 8.397 0.075 1.00 0.00 C ATOM 1489 CD1 ILE A 105 3.340 7.244 1.516 1.00 0.00 C ATOM 0 H ILE A 105 3.554 7.171 -2.669 1.00 0.00 H new ATOM 0 HA ILE A 105 1.086 6.099 -1.681 1.00 0.00 H new ATOM 0 HB ILE A 105 2.820 8.456 -0.923 1.00 0.00 H new ATOM 0 HG12 ILE A 105 1.986 5.917 0.539 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.510 6.136 -0.299 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.312 8.861 0.986 1.00 0.00 H new ATOM 0 HG22 ILE A 105 0.504 9.163 -0.570 1.00 0.00 H new ATOM 0 HG23 ILE A 105 0.169 7.665 0.331 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.782 6.445 2.112 1.00 0.00 H new ATOM 0 HD12 ILE A 105 4.112 7.965 1.246 1.00 0.00 H new ATOM 0 HD13 ILE A 105 2.564 7.743 2.097 1.00 0.00 H new ATOM 1500 N THR A 106 -0.547 7.381 -3.030 1.00 0.00 N ATOM 1501 CA THR A 106 -1.612 8.141 -3.648 1.00 0.00 C ATOM 1502 C THR A 106 -2.675 8.461 -2.600 1.00 0.00 C ATOM 1503 O THR A 106 -3.373 7.565 -2.116 1.00 0.00 O ATOM 1504 CB THR A 106 -2.241 7.360 -4.821 1.00 0.00 C ATOM 1505 OG1 THR A 106 -1.223 6.955 -5.751 1.00 0.00 O ATOM 1506 CG2 THR A 106 -3.291 8.196 -5.539 1.00 0.00 C ATOM 0 H THR A 106 -0.758 6.391 -2.901 1.00 0.00 H new ATOM 0 HA THR A 106 -1.197 9.067 -4.046 1.00 0.00 H new ATOM 0 HB THR A 106 -2.728 6.475 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 106 -1.633 6.459 -6.490 1.00 0.00 H new ATOM 0 HG21 THR A 106 -3.716 7.619 -6.360 1.00 0.00 H new ATOM 0 HG22 THR A 106 -4.081 8.467 -4.839 1.00 0.00 H new ATOM 0 HG23 THR A 106 -2.829 9.101 -5.933 1.00 0.00 H new ATOM 1514 N ARG A 107 -2.718 9.712 -2.166 1.00 0.00 N ATOM 1515 CA ARG A 107 -3.646 10.121 -1.126 1.00 0.00 C ATOM 1516 C ARG A 107 -5.008 10.421 -1.733 1.00 0.00 C ATOM 1517 O ARG A 107 -5.174 11.392 -2.474 1.00 0.00 O ATOM 1518 CB ARG A 107 -3.097 11.341 -0.363 1.00 0.00 C ATOM 1519 CG ARG A 107 -4.165 12.305 0.146 1.00 0.00 C ATOM 1520 CD ARG A 107 -4.515 12.044 1.603 1.00 0.00 C ATOM 1521 NE ARG A 107 -4.066 13.132 2.471 1.00 0.00 N ATOM 1522 CZ ARG A 107 -4.775 14.235 2.709 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -6.011 14.354 2.242 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -4.254 15.211 3.442 1.00 0.00 N ATOM 0 H ARG A 107 -2.121 10.460 -2.519 1.00 0.00 H new ATOM 0 HA ARG A 107 -3.761 9.305 -0.412 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -2.510 10.989 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.416 11.886 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.811 13.330 0.035 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -5.062 12.209 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -5.594 11.921 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -4.057 11.109 1.925 1.00 0.00 H new ATOM 0 HE ARG A 107 -3.155 13.041 2.921 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -6.425 13.598 1.697 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -6.547 15.201 2.428 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -3.312 15.116 3.822 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.795 16.056 3.625 1.00 0.00 H new ATOM 1538 N LEU A 108 -5.978 9.582 -1.414 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.337 9.784 -1.876 1.00 0.00 C ATOM 1540 C LEU A 108 -8.318 9.313 -0.817 1.00 0.00 C ATOM 1541 O LEU A 108 -8.594 8.122 -0.695 1.00 0.00 O ATOM 1542 CB LEU A 108 -7.581 9.024 -3.185 1.00 0.00 C ATOM 1543 CG LEU A 108 -7.239 9.794 -4.460 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -7.139 8.845 -5.643 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -8.278 10.872 -4.723 1.00 0.00 C ATOM 0 H LEU A 108 -5.847 8.752 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.486 10.848 -2.059 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -6.995 8.105 -3.167 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -8.630 8.732 -3.227 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.271 10.276 -4.325 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.895 9.410 -6.543 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.358 8.109 -5.454 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -8.092 8.335 -5.782 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.020 11.411 -5.634 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.259 10.411 -4.839 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -8.301 11.568 -3.884 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.860 10.254 -0.074 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.824 9.941 0.963 1.00 0.00 C ATOM 1559 C GLU A 109 -11.226 9.904 0.375 1.00 0.00 C ATOM 1560 O GLU A 109 -11.471 10.468 -0.695 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.746 10.975 2.089 1.00 0.00 C ATOM 1562 CG GLU A 109 -10.027 12.397 1.639 1.00 0.00 C ATOM 1563 CD GLU A 109 -8.767 13.169 1.299 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -7.704 12.541 1.110 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -8.838 14.408 1.212 1.00 0.00 O ATOM 0 H GLU A 109 -8.649 11.247 -0.168 1.00 0.00 H new ATOM 0 HA GLU A 109 -9.591 8.960 1.377 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -10.458 10.704 2.868 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.753 10.936 2.537 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -10.679 12.374 0.766 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.567 12.922 2.427 1.00 0.00 H new