USER MOD reduce.3.24.130724 H: found=0, std=0, add=538, rem=0, adj=23 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 132:sc= 1.26 USER MOD Set 1.2: A 38 CYS SG : rot 60:sc= 0.51 USER MOD Set 1.3: A 58 CYS SG : rot -136:sc= -2.26! USER MOD Set 2.1: A 8 CYS SG : rot 164:sc= 2.12 USER MOD Set 2.2: A 11 CYS SG : rot -45:sc= 0.548 USER MOD Set 2.3: A 29 HIS : no HD1:sc= -2.47 K(o=-1.6,f=-2.6!) USER MOD Set 2.4: A 32 CYS SG : rot 142:sc= -1.77! USER MOD Set 3.1: A 24 MET CE :methyl 169:sc= 0 (180deg=-0.0108) USER MOD Set 3.2: A 51 THR OG1 : rot 180:sc= 0 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 26 SER OG : rot 180:sc= 0.00148 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot -54:sc= 0.888 USER MOD Single : A 34 LYS NZ :NH3+ -147:sc= 0.705 (180deg=-0.619!) USER MOD Single : A 36 SER OG : rot 65:sc= 0.991 USER MOD Single : A 37 SER OG : rot 123:sc= 1.23 USER MOD Single : A 39 GLN : amide:sc= 0.0315 X(o=0.031,f=0) USER MOD Single : A 41 GLN : amide:sc= 1.15 K(o=1.1,f=-1.2) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= -0.153 USER MOD Single : A 49 SER OG : rot 180:sc= -1.16 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 129:sc= 1.16 USER MOD Single : A 55 MET CE :methyl -117:sc= -0.571 (180deg=-1.27) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 76:sc= 1.18 USER MOD ----------------------------------------------------------------- ATOM 97 N ARG A 7 -10.872 -1.415 0.060 1.00 0.00 N ATOM 98 CA ARG A 7 -10.312 -2.679 0.519 1.00 0.00 C ATOM 99 C ARG A 7 -8.820 -2.541 0.797 1.00 0.00 C ATOM 100 O ARG A 7 -8.041 -2.246 -0.107 1.00 0.00 O ATOM 101 CB ARG A 7 -10.540 -3.764 -0.535 1.00 0.00 C ATOM 102 CG ARG A 7 -10.808 -5.140 0.052 1.00 0.00 C ATOM 103 CD ARG A 7 -9.537 -5.781 0.573 1.00 0.00 C ATOM 104 NE ARG A 7 -9.779 -6.553 1.787 1.00 0.00 N ATOM 105 CZ ARG A 7 -9.467 -7.840 1.920 1.00 0.00 C ATOM 106 NH1 ARG A 7 -8.833 -8.479 0.946 1.00 0.00 N ATOM 107 NH2 ARG A 7 -9.781 -8.488 3.033 1.00 0.00 N ATOM 0 HA ARG A 7 -10.814 -2.960 1.445 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -11.383 -3.476 -1.163 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -9.665 -3.819 -1.182 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -11.532 -5.056 0.862 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -11.254 -5.780 -0.709 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -9.117 -6.432 -0.194 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -8.796 -5.008 0.776 1.00 0.00 H new ATOM 0 HE ARG A 7 -10.212 -6.079 2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -8.582 -7.984 0.090 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.596 -9.465 1.053 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -10.262 -8.000 3.789 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -9.541 -9.474 3.134 1.00 0.00 H new ATOM 121 N CYS A 8 -8.437 -2.755 2.049 1.00 0.00 N ATOM 122 CA CYS A 8 -7.048 -2.631 2.462 1.00 0.00 C ATOM 123 C CYS A 8 -6.239 -3.869 2.093 1.00 0.00 C ATOM 124 O CYS A 8 -6.598 -4.996 2.446 1.00 0.00 O ATOM 125 CB CYS A 8 -6.969 -2.397 3.972 1.00 0.00 C ATOM 126 SG CYS A 8 -5.274 -2.235 4.625 1.00 0.00 S ATOM 0 H CYS A 8 -9.075 -3.017 2.800 1.00 0.00 H new ATOM 0 HA CYS A 8 -6.621 -1.778 1.934 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -7.527 -1.493 4.216 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -7.463 -3.224 4.481 1.00 0.00 H new ATOM 0 HG CYS A 8 -5.315 -1.704 5.811 1.00 0.00 H new ATOM 131 N ALA A 9 -5.092 -3.633 1.481 1.00 0.00 N ATOM 132 CA ALA A 9 -4.148 -4.689 1.172 1.00 0.00 C ATOM 133 C ALA A 9 -3.003 -4.673 2.174 1.00 0.00 C ATOM 134 O ALA A 9 -2.068 -5.472 2.085 1.00 0.00 O ATOM 135 CB ALA A 9 -3.621 -4.532 -0.246 1.00 0.00 C ATOM 0 H ALA A 9 -4.790 -2.705 1.185 1.00 0.00 H new ATOM 0 HA ALA A 9 -4.659 -5.649 1.241 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -2.914 -5.333 -0.462 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.451 -4.582 -0.950 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -3.120 -3.569 -0.343 1.00 0.00 H new ATOM 141 N GLY A 10 -3.087 -3.759 3.133 1.00 0.00 N ATOM 142 CA GLY A 10 -2.061 -3.647 4.147 1.00 0.00 C ATOM 143 C GLY A 10 -2.240 -4.660 5.248 1.00 0.00 C ATOM 144 O GLY A 10 -1.345 -5.468 5.507 1.00 0.00 O ATOM 0 H GLY A 10 -3.852 -3.091 3.225 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.082 -3.781 3.688 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.080 -2.643 4.572 1.00 0.00 H new ATOM 148 N CYS A 11 -3.423 -4.669 5.847 1.00 0.00 N ATOM 149 CA CYS A 11 -3.733 -5.643 6.878 1.00 0.00 C ATOM 150 C CYS A 11 -4.641 -6.730 6.320 1.00 0.00 C ATOM 151 O CYS A 11 -4.740 -7.828 6.871 1.00 0.00 O ATOM 152 CB CYS A 11 -4.383 -4.967 8.088 1.00 0.00 C ATOM 153 SG CYS A 11 -5.957 -4.112 7.746 1.00 0.00 S ATOM 0 H CYS A 11 -4.178 -4.016 5.637 1.00 0.00 H new ATOM 0 HA CYS A 11 -2.801 -6.103 7.208 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -4.557 -5.721 8.856 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -3.679 -4.246 8.503 1.00 0.00 H new ATOM 0 HG CYS A 11 -5.841 -3.408 6.659 1.00 0.00 H new ATOM 158 N GLY A 12 -5.318 -6.399 5.234 1.00 0.00 N ATOM 159 CA GLY A 12 -6.210 -7.339 4.596 1.00 0.00 C ATOM 160 C GLY A 12 -7.596 -7.312 5.198 1.00 0.00 C ATOM 161 O GLY A 12 -8.106 -8.340 5.640 1.00 0.00 O ATOM 0 H GLY A 12 -5.264 -5.487 4.780 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -6.274 -7.111 3.532 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.798 -8.344 4.683 1.00 0.00 H new ATOM 165 N GLY A 13 -8.218 -6.141 5.207 1.00 0.00 N ATOM 166 CA GLY A 13 -9.546 -6.020 5.735 1.00 0.00 C ATOM 167 C GLY A 13 -10.337 -4.955 5.014 1.00 0.00 C ATOM 168 O GLY A 13 -10.073 -4.646 3.849 1.00 0.00 O ATOM 0 H GLY A 13 -7.817 -5.272 4.854 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -10.061 -6.977 5.649 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.495 -5.780 6.797 1.00 0.00 H new ATOM 172 N LYS A 14 -11.267 -4.370 5.728 1.00 0.00 N ATOM 173 CA LYS A 14 -12.102 -3.305 5.199 1.00 0.00 C ATOM 174 C LYS A 14 -11.618 -1.953 5.704 1.00 0.00 C ATOM 175 O LYS A 14 -11.345 -1.787 6.893 1.00 0.00 O ATOM 176 CB LYS A 14 -13.562 -3.530 5.602 1.00 0.00 C ATOM 177 CG LYS A 14 -14.511 -2.451 5.108 1.00 0.00 C ATOM 178 CD LYS A 14 -15.865 -2.557 5.782 1.00 0.00 C ATOM 179 CE LYS A 14 -16.753 -1.377 5.434 1.00 0.00 C ATOM 180 NZ LYS A 14 -17.984 -1.801 4.720 1.00 0.00 N ATOM 0 H LYS A 14 -11.472 -4.616 6.697 1.00 0.00 H new ATOM 0 HA LYS A 14 -12.033 -3.314 4.111 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -13.891 -4.494 5.215 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.624 -3.585 6.689 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.081 -1.469 5.303 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -14.632 -2.537 4.028 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.353 -3.483 5.478 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.732 -2.607 6.863 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -17.027 -0.847 6.346 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -16.197 -0.675 4.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -18.563 -0.966 4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.724 -2.284 3.836 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -18.528 -2.451 5.322 1.00 0.00 H new ATOM 194 N ILE A 15 -11.552 -0.976 4.814 1.00 0.00 N ATOM 195 CA ILE A 15 -11.151 0.364 5.205 1.00 0.00 C ATOM 196 C ILE A 15 -12.355 1.175 5.664 1.00 0.00 C ATOM 197 O ILE A 15 -12.988 1.878 4.877 1.00 0.00 O ATOM 198 CB ILE A 15 -10.441 1.112 4.064 1.00 0.00 C ATOM 199 CG1 ILE A 15 -9.564 0.151 3.257 1.00 0.00 C ATOM 200 CG2 ILE A 15 -9.611 2.254 4.630 1.00 0.00 C ATOM 201 CD1 ILE A 15 -8.773 0.826 2.159 1.00 0.00 C ATOM 0 H ILE A 15 -11.769 -1.085 3.823 1.00 0.00 H new ATOM 0 HA ILE A 15 -10.447 0.252 6.030 1.00 0.00 H new ATOM 0 HB ILE A 15 -11.192 1.528 3.393 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.873 -0.352 3.934 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -10.196 -0.620 2.816 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -9.111 2.779 3.816 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -10.262 2.947 5.163 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.864 1.856 5.317 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.176 0.083 1.631 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -9.458 1.305 1.459 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -8.114 1.578 2.594 1.00 0.00 H new ATOM 212 N ALA A 16 -12.651 1.088 6.951 1.00 0.00 N ATOM 213 CA ALA A 16 -13.747 1.842 7.536 1.00 0.00 C ATOM 214 C ALA A 16 -13.204 3.064 8.261 1.00 0.00 C ATOM 215 O ALA A 16 -13.858 3.632 9.133 1.00 0.00 O ATOM 216 CB ALA A 16 -14.552 0.968 8.484 1.00 0.00 C ATOM 0 H ALA A 16 -12.145 0.500 7.613 1.00 0.00 H new ATOM 0 HA ALA A 16 -14.412 2.174 6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -15.368 1.551 8.912 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.961 0.118 7.937 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -13.905 0.607 9.284 1.00 0.00 H new ATOM 222 N ASP A 17 -11.993 3.452 7.898 1.00 0.00 N ATOM 223 CA ASP A 17 -11.338 4.601 8.497 1.00 0.00 C ATOM 224 C ASP A 17 -11.546 5.826 7.624 1.00 0.00 C ATOM 225 O ASP A 17 -11.702 5.705 6.412 1.00 0.00 O ATOM 226 CB ASP A 17 -9.841 4.331 8.665 1.00 0.00 C ATOM 227 CG ASP A 17 -9.478 3.908 10.073 1.00 0.00 C ATOM 228 OD1 ASP A 17 -9.315 4.792 10.943 1.00 0.00 O ATOM 229 OD2 ASP A 17 -9.343 2.690 10.315 1.00 0.00 O ATOM 0 H ASP A 17 -11.439 2.981 7.183 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.775 4.781 9.479 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.536 3.552 7.966 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.282 5.230 8.405 1.00 0.00 H new ATOM 234 N ARG A 18 -11.502 7.002 8.230 1.00 0.00 N ATOM 235 CA ARG A 18 -11.673 8.252 7.495 1.00 0.00 C ATOM 236 C ARG A 18 -10.349 8.711 6.890 1.00 0.00 C ATOM 237 O ARG A 18 -10.251 9.805 6.353 1.00 0.00 O ATOM 238 CB ARG A 18 -12.235 9.332 8.427 1.00 0.00 C ATOM 239 CG ARG A 18 -12.616 10.622 7.717 1.00 0.00 C ATOM 240 CD ARG A 18 -13.306 11.595 8.657 1.00 0.00 C ATOM 241 NE ARG A 18 -12.358 12.216 9.581 1.00 0.00 N ATOM 242 CZ ARG A 18 -12.164 13.529 9.689 1.00 0.00 C ATOM 243 NH1 ARG A 18 -12.914 14.379 8.995 1.00 0.00 N ATOM 244 NH2 ARG A 18 -11.230 13.989 10.512 1.00 0.00 N ATOM 0 H ARG A 18 -11.349 7.120 9.231 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.377 8.082 6.680 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -13.113 8.937 8.937 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.495 9.556 9.195 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -11.722 11.088 7.303 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.275 10.396 6.879 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.808 12.369 8.076 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.076 11.071 9.223 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.809 11.603 10.183 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.643 14.027 8.375 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -12.760 15.384 9.082 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.665 13.338 11.058 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.077 14.994 10.599 1.00 0.00 H new ATOM 258 N PHE A 19 -9.359 7.827 6.915 1.00 0.00 N ATOM 259 CA PHE A 19 -8.040 8.092 6.347 1.00 0.00 C ATOM 260 C PHE A 19 -7.514 6.837 5.650 1.00 0.00 C ATOM 261 O PHE A 19 -7.234 5.832 6.306 1.00 0.00 O ATOM 262 CB PHE A 19 -7.057 8.521 7.445 1.00 0.00 C ATOM 263 CG PHE A 19 -7.358 9.866 8.053 1.00 0.00 C ATOM 264 CD1 PHE A 19 -7.905 10.881 7.290 1.00 0.00 C ATOM 265 CD2 PHE A 19 -7.100 10.110 9.392 1.00 0.00 C ATOM 266 CE1 PHE A 19 -8.194 12.109 7.841 1.00 0.00 C ATOM 267 CE2 PHE A 19 -7.385 11.341 9.952 1.00 0.00 C ATOM 268 CZ PHE A 19 -7.936 12.340 9.173 1.00 0.00 C ATOM 0 H PHE A 19 -9.448 6.900 7.332 1.00 0.00 H new ATOM 0 HA PHE A 19 -8.131 8.901 5.622 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -7.061 7.769 8.234 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -6.050 8.541 7.028 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -8.109 10.707 6.244 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -6.672 9.330 10.005 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -8.622 12.889 7.229 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.177 11.522 10.996 1.00 0.00 H new ATOM 0 HZ PHE A 19 -8.164 13.301 9.609 1.00 0.00 H new ATOM 278 N LEU A 20 -7.426 6.876 4.323 1.00 0.00 N ATOM 279 CA LEU A 20 -6.986 5.717 3.558 1.00 0.00 C ATOM 280 C LEU A 20 -5.974 6.111 2.480 1.00 0.00 C ATOM 281 O LEU A 20 -5.622 7.285 2.347 1.00 0.00 O ATOM 282 CB LEU A 20 -8.215 4.951 2.992 1.00 0.00 C ATOM 283 CG LEU A 20 -8.797 5.323 1.599 1.00 0.00 C ATOM 284 CD1 LEU A 20 -8.587 6.781 1.208 1.00 0.00 C ATOM 285 CD2 LEU A 20 -8.244 4.396 0.529 1.00 0.00 C ATOM 0 H LEU A 20 -7.653 7.695 3.759 1.00 0.00 H new ATOM 0 HA LEU A 20 -6.459 5.032 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -7.950 3.894 2.959 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -9.022 5.055 3.717 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.876 5.191 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -9.021 6.960 0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -9.070 7.427 1.941 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -7.520 7.000 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -8.661 4.669 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -7.158 4.486 0.495 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -8.516 3.367 0.763 1.00 0.00 H new ATOM 297 N LEU A 21 -5.491 5.126 1.741 1.00 0.00 N ATOM 298 CA LEU A 21 -4.512 5.355 0.690 1.00 0.00 C ATOM 299 C LEU A 21 -4.738 4.388 -0.471 1.00 0.00 C ATOM 300 O LEU A 21 -5.195 3.273 -0.265 1.00 0.00 O ATOM 301 CB LEU A 21 -3.100 5.161 1.251 1.00 0.00 C ATOM 302 CG LEU A 21 -2.049 6.143 0.739 1.00 0.00 C ATOM 303 CD1 LEU A 21 -1.184 6.635 1.887 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.192 5.489 -0.332 1.00 0.00 C ATOM 0 H LEU A 21 -5.764 4.150 1.851 1.00 0.00 H new ATOM 0 HA LEU A 21 -4.624 6.376 0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.146 5.238 2.337 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.771 4.149 1.017 1.00 0.00 H new ATOM 0 HG LEU A 21 -2.558 7.000 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.439 7.334 1.507 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.810 7.137 2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.682 5.787 2.353 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.447 6.201 -0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.689 4.617 0.086 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.824 5.179 -1.164 1.00 0.00 H new ATOM 316 N TYR A 22 -4.326 4.778 -1.666 1.00 0.00 N ATOM 317 CA TYR A 22 -4.337 3.871 -2.809 1.00 0.00 C ATOM 318 C TYR A 22 -2.925 3.761 -3.367 1.00 0.00 C ATOM 319 O TYR A 22 -2.276 4.780 -3.616 1.00 0.00 O ATOM 320 CB TYR A 22 -5.284 4.341 -3.924 1.00 0.00 C ATOM 321 CG TYR A 22 -6.561 5.019 -3.462 1.00 0.00 C ATOM 322 CD1 TYR A 22 -7.701 4.277 -3.201 1.00 0.00 C ATOM 323 CD2 TYR A 22 -6.638 6.401 -3.331 1.00 0.00 C ATOM 324 CE1 TYR A 22 -8.881 4.883 -2.824 1.00 0.00 C ATOM 325 CE2 TYR A 22 -7.814 7.017 -2.944 1.00 0.00 C ATOM 326 CZ TYR A 22 -8.933 6.253 -2.696 1.00 0.00 C ATOM 327 OH TYR A 22 -10.112 6.858 -2.327 1.00 0.00 O ATOM 0 H TYR A 22 -3.980 5.715 -1.873 1.00 0.00 H new ATOM 0 HA TYR A 22 -4.698 2.904 -2.460 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -4.741 5.032 -4.569 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -5.553 3.479 -4.534 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.665 3.202 -3.295 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.765 7.003 -3.535 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -9.760 4.286 -2.630 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -7.855 8.091 -2.837 1.00 0.00 H new ATOM 0 HH TYR A 22 -9.981 7.828 -2.281 1.00 0.00 H new ATOM 337 N ALA A 23 -2.432 2.541 -3.515 1.00 0.00 N ATOM 338 CA ALA A 23 -1.082 2.323 -4.017 1.00 0.00 C ATOM 339 C ALA A 23 -0.969 0.977 -4.721 1.00 0.00 C ATOM 340 O ALA A 23 -1.299 -0.059 -4.141 1.00 0.00 O ATOM 341 CB ALA A 23 -0.072 2.414 -2.881 1.00 0.00 C ATOM 0 H ALA A 23 -2.945 1.687 -3.295 1.00 0.00 H new ATOM 0 HA ALA A 23 -0.863 3.104 -4.745 1.00 0.00 H new ATOM 0 HB1 ALA A 23 0.932 2.249 -3.272 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -0.125 3.403 -2.425 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -0.298 1.656 -2.131 1.00 0.00 H new ATOM 347 N MET A 24 -0.529 1.014 -5.979 1.00 0.00 N ATOM 348 CA MET A 24 -0.374 -0.185 -6.805 1.00 0.00 C ATOM 349 C MET A 24 -1.729 -0.825 -7.089 1.00 0.00 C ATOM 350 O MET A 24 -1.852 -2.050 -7.137 1.00 0.00 O ATOM 351 CB MET A 24 0.563 -1.198 -6.135 1.00 0.00 C ATOM 352 CG MET A 24 1.999 -1.111 -6.625 1.00 0.00 C ATOM 353 SD MET A 24 3.201 -1.347 -5.300 1.00 0.00 S ATOM 354 CE MET A 24 3.206 0.283 -4.553 1.00 0.00 C ATOM 0 H MET A 24 -0.269 1.878 -6.455 1.00 0.00 H new ATOM 0 HA MET A 24 0.072 0.119 -7.752 1.00 0.00 H new ATOM 0 HB2 MET A 24 0.545 -1.040 -5.057 1.00 0.00 H new ATOM 0 HB3 MET A 24 0.186 -2.205 -6.316 1.00 0.00 H new ATOM 0 HG2 MET A 24 2.162 -1.864 -7.396 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.162 -0.138 -7.089 1.00 0.00 H new ATOM 0 HE1 MET A 24 3.746 0.248 -3.607 1.00 0.00 H new ATOM 0 HE2 MET A 24 3.695 0.989 -5.224 1.00 0.00 H new ATOM 0 HE3 MET A 24 2.180 0.604 -4.373 1.00 0.00 H new ATOM 364 N ASP A 25 -2.747 0.031 -7.217 1.00 0.00 N ATOM 365 CA ASP A 25 -4.137 -0.387 -7.467 1.00 0.00 C ATOM 366 C ASP A 25 -4.777 -1.007 -6.227 1.00 0.00 C ATOM 367 O ASP A 25 -6.001 -1.078 -6.122 1.00 0.00 O ATOM 368 CB ASP A 25 -4.242 -1.351 -8.657 1.00 0.00 C ATOM 369 CG ASP A 25 -4.712 -0.660 -9.921 1.00 0.00 C ATOM 370 OD1 ASP A 25 -3.886 -0.002 -10.588 1.00 0.00 O ATOM 371 OD2 ASP A 25 -5.911 -0.767 -10.259 1.00 0.00 O ATOM 0 H ASP A 25 -2.633 1.042 -7.150 1.00 0.00 H new ATOM 0 HA ASP A 25 -4.688 0.520 -7.717 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -3.269 -1.809 -8.837 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -4.933 -2.157 -8.408 1.00 0.00 H new ATOM 376 N SER A 26 -3.959 -1.364 -5.250 1.00 0.00 N ATOM 377 CA SER A 26 -4.465 -1.858 -3.986 1.00 0.00 C ATOM 378 C SER A 26 -4.724 -0.686 -3.052 1.00 0.00 C ATOM 379 O SER A 26 -4.014 0.321 -3.101 1.00 0.00 O ATOM 380 CB SER A 26 -3.467 -2.823 -3.350 1.00 0.00 C ATOM 381 OG SER A 26 -2.616 -3.406 -4.324 1.00 0.00 O ATOM 0 H SER A 26 -2.942 -1.320 -5.311 1.00 0.00 H new ATOM 0 HA SER A 26 -5.397 -2.395 -4.163 1.00 0.00 H new ATOM 0 HB2 SER A 26 -2.866 -2.293 -2.611 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.006 -3.608 -2.819 1.00 0.00 H new ATOM 0 HG SER A 26 -1.988 -4.017 -3.886 1.00 0.00 H new ATOM 387 N TYR A 27 -5.747 -0.797 -2.227 1.00 0.00 N ATOM 388 CA TYR A 27 -6.069 0.269 -1.297 1.00 0.00 C ATOM 389 C TYR A 27 -5.522 -0.071 0.084 1.00 0.00 C ATOM 390 O TYR A 27 -5.123 -1.206 0.336 1.00 0.00 O ATOM 391 CB TYR A 27 -7.583 0.521 -1.251 1.00 0.00 C ATOM 392 CG TYR A 27 -8.246 0.574 -2.615 1.00 0.00 C ATOM 393 CD1 TYR A 27 -7.614 1.167 -3.706 1.00 0.00 C ATOM 394 CD2 TYR A 27 -9.505 0.023 -2.810 1.00 0.00 C ATOM 395 CE1 TYR A 27 -8.222 1.206 -4.947 1.00 0.00 C ATOM 396 CE2 TYR A 27 -10.119 0.060 -4.048 1.00 0.00 C ATOM 397 CZ TYR A 27 -9.473 0.652 -5.112 1.00 0.00 C ATOM 398 OH TYR A 27 -10.082 0.686 -6.348 1.00 0.00 O ATOM 0 H TYR A 27 -6.365 -1.607 -2.181 1.00 0.00 H new ATOM 0 HA TYR A 27 -5.599 1.191 -1.640 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -8.053 -0.266 -0.661 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -7.768 1.462 -0.733 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -6.634 1.603 -3.580 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -10.014 -0.443 -1.979 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.719 1.668 -5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.100 -0.373 -4.181 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.959 0.252 -6.293 1.00 0.00 H new ATOM 408 N TRP A 28 -5.329 0.951 0.893 1.00 0.00 N ATOM 409 CA TRP A 28 -4.666 0.810 2.177 1.00 0.00 C ATOM 410 C TRP A 28 -5.400 1.627 3.230 1.00 0.00 C ATOM 411 O TRP A 28 -6.185 2.515 2.898 1.00 0.00 O ATOM 412 CB TRP A 28 -3.211 1.299 2.088 1.00 0.00 C ATOM 413 CG TRP A 28 -2.378 0.599 1.050 1.00 0.00 C ATOM 414 CD1 TRP A 28 -2.422 0.781 -0.303 1.00 0.00 C ATOM 415 CD2 TRP A 28 -1.359 -0.380 1.286 1.00 0.00 C ATOM 416 NE1 TRP A 28 -1.508 -0.037 -0.923 1.00 0.00 N ATOM 417 CE2 TRP A 28 -0.839 -0.755 0.032 1.00 0.00 C ATOM 418 CE3 TRP A 28 -0.841 -0.978 2.434 1.00 0.00 C ATOM 419 CZ2 TRP A 28 0.178 -1.698 -0.098 1.00 0.00 C ATOM 420 CZ3 TRP A 28 0.167 -1.913 2.303 1.00 0.00 C ATOM 421 CH2 TRP A 28 0.667 -2.265 1.047 1.00 0.00 C ATOM 0 H TRP A 28 -5.627 1.903 0.680 1.00 0.00 H new ATOM 0 HA TRP A 28 -4.674 -0.244 2.454 1.00 0.00 H new ATOM 0 HB2 TRP A 28 -3.213 2.368 1.873 1.00 0.00 H new ATOM 0 HB3 TRP A 28 -2.738 1.171 3.062 1.00 0.00 H new ATOM 0 HD1 TRP A 28 -3.080 1.469 -0.812 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -1.353 -0.099 -1.929 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -1.222 -0.714 3.410 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 0.566 -1.972 -1.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.576 -2.380 3.187 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.456 -3.000 0.978 1.00 0.00 H new ATOM 432 N HIS A 29 -5.101 1.362 4.491 1.00 0.00 N ATOM 433 CA HIS A 29 -5.705 2.095 5.594 1.00 0.00 C ATOM 434 C HIS A 29 -5.001 3.426 5.822 1.00 0.00 C ATOM 435 O HIS A 29 -4.522 4.070 4.886 1.00 0.00 O ATOM 436 CB HIS A 29 -5.628 1.266 6.874 1.00 0.00 C ATOM 437 CG HIS A 29 -6.891 0.558 7.228 1.00 0.00 C ATOM 438 ND1 HIS A 29 -6.945 -0.804 7.275 1.00 0.00 N ATOM 439 CD2 HIS A 29 -8.104 1.057 7.567 1.00 0.00 C ATOM 440 CE1 HIS A 29 -8.172 -1.122 7.636 1.00 0.00 C ATOM 441 NE2 HIS A 29 -8.920 -0.018 7.829 1.00 0.00 N ATOM 0 H HIS A 29 -4.440 0.641 4.778 1.00 0.00 H new ATOM 0 HA HIS A 29 -6.746 2.289 5.336 1.00 0.00 H new ATOM 0 HB2 HIS A 29 -4.831 0.530 6.768 1.00 0.00 H new ATOM 0 HB3 HIS A 29 -5.349 1.921 7.700 1.00 0.00 H new ATOM 0 HD2 HIS A 29 -8.378 2.100 7.621 1.00 0.00 H new ATOM 0 HE1 HIS A 29 -8.530 -2.133 7.761 1.00 0.00 H new ATOM 0 HE2 HIS A 29 -9.899 0.014 8.114 1.00 0.00 H new ATOM 449 N SER A 30 -4.886 3.802 7.083 1.00 0.00 N ATOM 450 CA SER A 30 -4.194 5.015 7.454 1.00 0.00 C ATOM 451 C SER A 30 -2.718 4.727 7.697 1.00 0.00 C ATOM 452 O SER A 30 -1.852 5.272 7.016 1.00 0.00 O ATOM 453 CB SER A 30 -4.845 5.618 8.698 1.00 0.00 C ATOM 454 OG SER A 30 -6.173 5.138 8.847 1.00 0.00 O ATOM 0 H SER A 30 -5.268 3.277 7.870 1.00 0.00 H new ATOM 0 HA SER A 30 -4.267 5.735 6.639 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.259 5.364 9.581 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.852 6.705 8.621 1.00 0.00 H new ATOM 0 HG SER A 30 -6.674 5.298 8.020 1.00 0.00 H new ATOM 460 N ARG A 31 -2.438 3.842 8.642 1.00 0.00 N ATOM 461 CA ARG A 31 -1.066 3.474 8.962 1.00 0.00 C ATOM 462 C ARG A 31 -0.692 2.126 8.350 1.00 0.00 C ATOM 463 O ARG A 31 0.335 1.545 8.699 1.00 0.00 O ATOM 464 CB ARG A 31 -0.868 3.439 10.478 1.00 0.00 C ATOM 465 CG ARG A 31 -0.203 4.690 11.034 1.00 0.00 C ATOM 466 CD ARG A 31 -0.887 5.165 12.308 1.00 0.00 C ATOM 467 NE ARG A 31 -0.414 6.484 12.735 1.00 0.00 N ATOM 468 CZ ARG A 31 0.245 6.707 13.874 1.00 0.00 C ATOM 469 NH1 ARG A 31 0.559 5.695 14.674 1.00 0.00 N ATOM 470 NH2 ARG A 31 0.598 7.942 14.208 1.00 0.00 N ATOM 0 H ARG A 31 -3.144 3.364 9.202 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.409 4.230 8.533 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.837 3.308 10.960 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.263 2.570 10.737 1.00 0.00 H new ATOM 0 HG2 ARG A 31 0.848 4.485 11.239 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -0.233 5.482 10.286 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.964 5.203 12.147 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -0.709 4.442 13.104 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.599 7.280 12.125 1.00 0.00 H new ATOM 0 HH11 ARG A 31 0.297 4.743 14.419 1.00 0.00 H new ATOM 0 HH12 ARG A 31 1.063 5.870 15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 31 0.366 8.723 13.594 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.102 8.111 15.079 1.00 0.00 H new ATOM 484 N CYS A 32 -1.548 1.596 7.480 1.00 0.00 N ATOM 485 CA CYS A 32 -1.298 0.291 6.881 1.00 0.00 C ATOM 486 C CYS A 32 -0.297 0.395 5.731 1.00 0.00 C ATOM 487 O CYS A 32 0.452 -0.548 5.465 1.00 0.00 O ATOM 488 CB CYS A 32 -2.607 -0.355 6.419 1.00 0.00 C ATOM 489 SG CYS A 32 -3.487 -1.248 7.747 1.00 0.00 S ATOM 0 H CYS A 32 -2.412 2.046 7.177 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.858 -0.351 7.644 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -3.262 0.418 6.016 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -2.393 -1.048 5.605 1.00 0.00 H new ATOM 0 HG CYS A 32 -4.767 -1.062 7.620 1.00 0.00 H new ATOM 494 N LEU A 33 -0.158 1.593 5.177 1.00 0.00 N ATOM 495 CA LEU A 33 0.907 1.850 4.220 1.00 0.00 C ATOM 496 C LEU A 33 2.114 2.410 4.959 1.00 0.00 C ATOM 497 O LEU A 33 2.286 3.627 5.085 1.00 0.00 O ATOM 498 CB LEU A 33 0.462 2.811 3.115 1.00 0.00 C ATOM 499 CG LEU A 33 1.447 2.933 1.949 1.00 0.00 C ATOM 500 CD1 LEU A 33 0.900 2.255 0.707 1.00 0.00 C ATOM 501 CD2 LEU A 33 1.755 4.389 1.662 1.00 0.00 C ATOM 0 H LEU A 33 -0.762 2.392 5.371 1.00 0.00 H new ATOM 0 HA LEU A 33 1.171 0.910 3.736 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.501 2.479 2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.308 3.799 3.549 1.00 0.00 H new ATOM 0 HG LEU A 33 2.372 2.432 2.234 1.00 0.00 H new ATOM 0 HD11 LEU A 33 1.617 2.355 -0.108 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.731 1.198 0.914 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.041 2.724 0.421 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.457 4.455 0.830 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.834 4.911 1.403 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.196 4.849 2.546 1.00 0.00 H new ATOM 513 N LYS A 34 2.856 1.510 5.573 1.00 0.00 N ATOM 514 CA LYS A 34 3.962 1.882 6.432 1.00 0.00 C ATOM 515 C LYS A 34 5.199 1.079 6.080 1.00 0.00 C ATOM 516 O LYS A 34 5.117 0.094 5.344 1.00 0.00 O ATOM 517 CB LYS A 34 3.576 1.657 7.900 1.00 0.00 C ATOM 518 CG LYS A 34 3.714 0.213 8.373 1.00 0.00 C ATOM 519 CD LYS A 34 2.544 -0.646 7.921 1.00 0.00 C ATOM 520 CE LYS A 34 2.961 -2.089 7.681 1.00 0.00 C ATOM 521 NZ LYS A 34 4.143 -2.194 6.783 1.00 0.00 N ATOM 0 H LYS A 34 2.710 0.504 5.491 1.00 0.00 H new ATOM 0 HA LYS A 34 4.187 2.938 6.283 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.199 2.294 8.529 1.00 0.00 H new ATOM 0 HB3 LYS A 34 2.544 1.977 8.045 1.00 0.00 H new ATOM 0 HG2 LYS A 34 4.643 -0.208 7.988 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.781 0.192 9.461 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.758 -0.616 8.676 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.122 -0.233 7.005 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.190 -2.562 8.636 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.126 -2.638 7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 4.070 -3.061 6.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 4.175 -1.367 6.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 5.011 -2.227 7.354 1.00 0.00 H new ATOM 535 N CYS A 35 6.335 1.495 6.621 1.00 0.00 N ATOM 536 CA CYS A 35 7.592 0.812 6.386 1.00 0.00 C ATOM 537 C CYS A 35 7.518 -0.638 6.862 1.00 0.00 C ATOM 538 O CYS A 35 6.693 -0.990 7.712 1.00 0.00 O ATOM 539 CB CYS A 35 8.726 1.544 7.106 1.00 0.00 C ATOM 540 SG CYS A 35 10.384 0.862 6.775 1.00 0.00 S ATOM 0 H CYS A 35 6.408 2.310 7.230 1.00 0.00 H new ATOM 0 HA CYS A 35 7.790 0.811 5.314 1.00 0.00 H new ATOM 0 HB2 CYS A 35 8.711 2.593 6.811 1.00 0.00 H new ATOM 0 HB3 CYS A 35 8.540 1.512 8.180 1.00 0.00 H new ATOM 0 HG CYS A 35 11.200 1.829 6.477 1.00 0.00 H new ATOM 545 N SER A 36 8.422 -1.455 6.363 1.00 0.00 N ATOM 546 CA SER A 36 8.502 -2.840 6.777 1.00 0.00 C ATOM 547 C SER A 36 9.326 -2.970 8.053 1.00 0.00 C ATOM 548 O SER A 36 9.200 -3.950 8.785 1.00 0.00 O ATOM 549 CB SER A 36 9.105 -3.687 5.657 1.00 0.00 C ATOM 550 OG SER A 36 8.307 -3.615 4.488 1.00 0.00 O ATOM 0 H SER A 36 9.115 -1.182 5.666 1.00 0.00 H new ATOM 0 HA SER A 36 7.495 -3.203 6.985 1.00 0.00 H new ATOM 0 HB2 SER A 36 10.115 -3.341 5.436 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.188 -4.724 5.983 1.00 0.00 H new ATOM 0 HG SER A 36 8.312 -2.697 4.144 1.00 0.00 H new ATOM 556 N SER A 37 10.153 -1.972 8.329 1.00 0.00 N ATOM 557 CA SER A 37 11.005 -2.006 9.510 1.00 0.00 C ATOM 558 C SER A 37 10.611 -0.929 10.520 1.00 0.00 C ATOM 559 O SER A 37 10.447 -1.217 11.707 1.00 0.00 O ATOM 560 CB SER A 37 12.466 -1.847 9.098 1.00 0.00 C ATOM 561 OG SER A 37 12.671 -2.350 7.786 1.00 0.00 O ATOM 0 H SER A 37 10.252 -1.134 7.756 1.00 0.00 H new ATOM 0 HA SER A 37 10.872 -2.972 9.997 1.00 0.00 H new ATOM 0 HB2 SER A 37 12.749 -0.795 9.139 1.00 0.00 H new ATOM 0 HB3 SER A 37 13.108 -2.377 9.801 1.00 0.00 H new ATOM 0 HG SER A 37 13.038 -1.641 7.218 1.00 0.00 H new ATOM 567 N CYS A 38 10.414 0.296 10.044 1.00 0.00 N ATOM 568 CA CYS A 38 10.007 1.388 10.922 1.00 0.00 C ATOM 569 C CYS A 38 8.548 1.239 11.318 1.00 0.00 C ATOM 570 O CYS A 38 8.155 1.595 12.431 1.00 0.00 O ATOM 571 CB CYS A 38 10.212 2.735 10.233 1.00 0.00 C ATOM 572 SG CYS A 38 11.903 3.014 9.630 1.00 0.00 S ATOM 0 H CYS A 38 10.528 0.557 9.064 1.00 0.00 H new ATOM 0 HA CYS A 38 10.626 1.348 11.818 1.00 0.00 H new ATOM 0 HB2 CYS A 38 9.522 2.809 9.393 1.00 0.00 H new ATOM 0 HB3 CYS A 38 9.951 3.531 10.931 1.00 0.00 H new ATOM 0 HG CYS A 38 12.214 2.092 8.767 1.00 0.00 H new ATOM 577 N GLN A 39 7.746 0.785 10.361 1.00 0.00 N ATOM 578 CA GLN A 39 6.308 0.646 10.545 1.00 0.00 C ATOM 579 C GLN A 39 5.666 2.004 10.809 1.00 0.00 C ATOM 580 O GLN A 39 4.570 2.092 11.359 1.00 0.00 O ATOM 581 CB GLN A 39 5.990 -0.341 11.672 1.00 0.00 C ATOM 582 CG GLN A 39 5.900 -1.784 11.199 1.00 0.00 C ATOM 583 CD GLN A 39 6.832 -2.710 11.957 1.00 0.00 C ATOM 584 OE1 GLN A 39 6.577 -3.062 13.109 1.00 0.00 O ATOM 585 NE2 GLN A 39 7.916 -3.115 11.317 1.00 0.00 N ATOM 0 H GLN A 39 8.075 0.504 9.437 1.00 0.00 H new ATOM 0 HA GLN A 39 5.886 0.244 9.624 1.00 0.00 H new ATOM 0 HB2 GLN A 39 6.759 -0.265 12.440 1.00 0.00 H new ATOM 0 HB3 GLN A 39 5.046 -0.059 12.137 1.00 0.00 H new ATOM 0 HG2 GLN A 39 4.874 -2.136 11.313 1.00 0.00 H new ATOM 0 HG3 GLN A 39 6.136 -1.829 10.136 1.00 0.00 H new ATOM 0 HE21 GLN A 39 8.092 -2.801 10.363 1.00 0.00 H new ATOM 0 HE22 GLN A 39 8.576 -3.741 11.778 1.00 0.00 H new ATOM 594 N ALA A 40 6.292 3.040 10.267 1.00 0.00 N ATOM 595 CA ALA A 40 5.743 4.370 10.289 1.00 0.00 C ATOM 596 C ALA A 40 5.118 4.660 8.940 1.00 0.00 C ATOM 597 O ALA A 40 5.549 4.115 7.918 1.00 0.00 O ATOM 598 CB ALA A 40 6.823 5.388 10.616 1.00 0.00 C ATOM 0 H ALA A 40 7.197 2.971 9.801 1.00 0.00 H new ATOM 0 HA ALA A 40 4.980 4.441 11.064 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.389 6.388 10.628 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.249 5.165 11.594 1.00 0.00 H new ATOM 0 HB3 ALA A 40 7.607 5.342 9.860 1.00 0.00 H new ATOM 604 N GLN A 41 4.059 5.437 8.963 1.00 0.00 N ATOM 605 CA GLN A 41 3.289 5.747 7.766 1.00 0.00 C ATOM 606 C GLN A 41 4.154 6.441 6.718 1.00 0.00 C ATOM 607 O GLN A 41 4.815 7.442 6.999 1.00 0.00 O ATOM 608 CB GLN A 41 2.087 6.624 8.122 1.00 0.00 C ATOM 609 CG GLN A 41 1.036 6.689 7.028 1.00 0.00 C ATOM 610 CD GLN A 41 0.285 8.005 7.027 1.00 0.00 C ATOM 611 OE1 GLN A 41 0.888 9.075 7.066 1.00 0.00 O ATOM 612 NE2 GLN A 41 -1.034 7.939 6.980 1.00 0.00 N ATOM 0 H GLN A 41 3.701 5.876 9.811 1.00 0.00 H new ATOM 0 HA GLN A 41 2.932 4.808 7.343 1.00 0.00 H new ATOM 0 HB2 GLN A 41 1.627 6.243 9.034 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.436 7.633 8.339 1.00 0.00 H new ATOM 0 HG2 GLN A 41 1.514 6.546 6.059 1.00 0.00 H new ATOM 0 HG3 GLN A 41 0.329 5.870 7.158 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -1.498 7.031 6.949 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -1.588 8.796 6.975 1.00 0.00 H new ATOM 621 N LEU A 42 4.139 5.898 5.507 1.00 0.00 N ATOM 622 CA LEU A 42 4.943 6.433 4.415 1.00 0.00 C ATOM 623 C LEU A 42 4.353 7.733 3.876 1.00 0.00 C ATOM 624 O LEU A 42 4.908 8.338 2.954 1.00 0.00 O ATOM 625 CB LEU A 42 5.053 5.402 3.285 1.00 0.00 C ATOM 626 CG LEU A 42 6.442 4.783 3.075 1.00 0.00 C ATOM 627 CD1 LEU A 42 7.501 5.512 3.888 1.00 0.00 C ATOM 628 CD2 LEU A 42 6.421 3.308 3.439 1.00 0.00 C ATOM 0 H LEU A 42 3.577 5.085 5.256 1.00 0.00 H new ATOM 0 HA LEU A 42 5.937 6.648 4.806 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.344 4.598 3.483 1.00 0.00 H new ATOM 0 HB3 LEU A 42 4.744 5.877 2.354 1.00 0.00 H new ATOM 0 HG LEU A 42 6.699 4.885 2.021 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.473 5.049 3.717 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.538 6.558 3.583 1.00 0.00 H new ATOM 0 HD13 LEU A 42 7.252 5.452 4.947 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.412 2.881 3.285 1.00 0.00 H new ATOM 0 HD22 LEU A 42 6.135 3.195 4.485 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.700 2.788 2.808 1.00 0.00 H new ATOM 640 N GLY A 43 3.239 8.162 4.458 1.00 0.00 N ATOM 641 CA GLY A 43 2.599 9.393 4.039 1.00 0.00 C ATOM 642 C GLY A 43 2.799 10.517 5.039 1.00 0.00 C ATOM 643 O GLY A 43 2.269 11.616 4.860 1.00 0.00 O ATOM 0 H GLY A 43 2.765 7.674 5.218 1.00 0.00 H new ATOM 0 HA2 GLY A 43 2.998 9.696 3.071 1.00 0.00 H new ATOM 0 HA3 GLY A 43 1.532 9.217 3.903 1.00 0.00 H new ATOM 647 N ASP A 44 3.571 10.249 6.085 1.00 0.00 N ATOM 648 CA ASP A 44 3.859 11.256 7.102 1.00 0.00 C ATOM 649 C ASP A 44 5.212 11.905 6.842 1.00 0.00 C ATOM 650 O ASP A 44 5.328 13.128 6.785 1.00 0.00 O ATOM 651 CB ASP A 44 3.837 10.633 8.499 1.00 0.00 C ATOM 652 CG ASP A 44 4.259 11.612 9.581 1.00 0.00 C ATOM 653 OD1 ASP A 44 3.746 12.752 9.598 1.00 0.00 O ATOM 654 OD2 ASP A 44 5.102 11.245 10.426 1.00 0.00 O ATOM 0 H ASP A 44 4.009 9.343 6.252 1.00 0.00 H new ATOM 0 HA ASP A 44 3.086 12.022 7.050 1.00 0.00 H new ATOM 0 HB2 ASP A 44 2.832 10.269 8.715 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.500 9.768 8.518 1.00 0.00 H new ATOM 659 N ILE A 45 6.211 11.074 6.579 1.00 0.00 N ATOM 660 CA ILE A 45 7.546 11.554 6.236 1.00 0.00 C ATOM 661 C ILE A 45 7.630 11.843 4.740 1.00 0.00 C ATOM 662 O ILE A 45 8.334 11.160 3.991 1.00 0.00 O ATOM 663 CB ILE A 45 8.636 10.534 6.636 1.00 0.00 C ATOM 664 CG1 ILE A 45 8.228 9.112 6.236 1.00 0.00 C ATOM 665 CG2 ILE A 45 8.896 10.605 8.134 1.00 0.00 C ATOM 666 CD1 ILE A 45 9.396 8.241 5.830 1.00 0.00 C ATOM 0 H ILE A 45 6.123 10.058 6.596 1.00 0.00 H new ATOM 0 HA ILE A 45 7.723 12.473 6.795 1.00 0.00 H new ATOM 0 HB ILE A 45 9.553 10.787 6.104 1.00 0.00 H new ATOM 0 HG12 ILE A 45 7.708 8.643 7.072 1.00 0.00 H new ATOM 0 HG13 ILE A 45 7.520 9.165 5.409 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.666 9.882 8.404 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.231 11.608 8.398 1.00 0.00 H new ATOM 0 HG23 ILE A 45 7.977 10.376 8.674 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.034 7.249 5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.903 8.688 4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.094 8.158 6.663 1.00 0.00 H new ATOM 677 N GLY A 46 6.749 12.720 4.295 1.00 0.00 N ATOM 678 CA GLY A 46 6.584 12.950 2.876 1.00 0.00 C ATOM 679 C GLY A 46 5.554 12.004 2.313 1.00 0.00 C ATOM 680 O GLY A 46 4.805 11.400 3.076 1.00 0.00 O ATOM 0 H GLY A 46 6.141 13.280 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 46 6.276 13.981 2.700 1.00 0.00 H new ATOM 0 HA3 GLY A 46 7.536 12.810 2.364 1.00 0.00 H new ATOM 684 N THR A 47 5.563 11.785 1.011 1.00 0.00 N ATOM 685 CA THR A 47 4.653 10.813 0.429 1.00 0.00 C ATOM 686 C THR A 47 5.314 10.042 -0.708 1.00 0.00 C ATOM 687 O THR A 47 5.375 10.517 -1.842 1.00 0.00 O ATOM 688 CB THR A 47 3.383 11.512 -0.101 1.00 0.00 C ATOM 689 OG1 THR A 47 3.633 12.915 -0.276 1.00 0.00 O ATOM 690 CG2 THR A 47 2.217 11.322 0.858 1.00 0.00 C ATOM 0 H THR A 47 6.177 12.256 0.347 1.00 0.00 H new ATOM 0 HA THR A 47 4.382 10.109 1.216 1.00 0.00 H new ATOM 0 HB THR A 47 3.123 11.063 -1.059 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.824 13.352 -0.614 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.334 11.824 0.462 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.009 10.258 0.972 1.00 0.00 H new ATOM 0 HG23 THR A 47 2.471 11.748 1.829 1.00 0.00 H new ATOM 698 N SER A 48 5.721 8.813 -0.418 1.00 0.00 N ATOM 699 CA SER A 48 6.294 7.933 -1.428 1.00 0.00 C ATOM 700 C SER A 48 6.281 6.484 -0.955 1.00 0.00 C ATOM 701 O SER A 48 6.956 6.133 0.014 1.00 0.00 O ATOM 702 CB SER A 48 7.730 8.355 -1.766 1.00 0.00 C ATOM 703 OG SER A 48 8.173 9.410 -0.931 1.00 0.00 O ATOM 0 H SER A 48 5.664 8.401 0.514 1.00 0.00 H new ATOM 0 HA SER A 48 5.682 8.015 -2.326 1.00 0.00 H new ATOM 0 HB2 SER A 48 8.397 7.499 -1.657 1.00 0.00 H new ATOM 0 HB3 SER A 48 7.782 8.669 -2.809 1.00 0.00 H new ATOM 0 HG SER A 48 9.091 9.654 -1.171 1.00 0.00 H new ATOM 709 N SER A 49 5.556 5.633 -1.661 1.00 0.00 N ATOM 710 CA SER A 49 5.557 4.217 -1.353 1.00 0.00 C ATOM 711 C SER A 49 6.459 3.482 -2.324 1.00 0.00 C ATOM 712 O SER A 49 6.202 3.453 -3.523 1.00 0.00 O ATOM 713 CB SER A 49 4.143 3.659 -1.411 1.00 0.00 C ATOM 714 OG SER A 49 3.291 4.516 -2.152 1.00 0.00 O ATOM 0 H SER A 49 4.963 5.898 -2.447 1.00 0.00 H new ATOM 0 HA SER A 49 5.937 4.075 -0.341 1.00 0.00 H new ATOM 0 HB2 SER A 49 4.157 2.669 -1.868 1.00 0.00 H new ATOM 0 HB3 SER A 49 3.754 3.538 -0.400 1.00 0.00 H new ATOM 0 HG SER A 49 2.388 4.137 -2.178 1.00 0.00 H new ATOM 720 N TYR A 50 7.552 2.964 -1.802 1.00 0.00 N ATOM 721 CA TYR A 50 8.553 2.302 -2.626 1.00 0.00 C ATOM 722 C TYR A 50 8.139 0.876 -2.945 1.00 0.00 C ATOM 723 O TYR A 50 7.293 0.297 -2.264 1.00 0.00 O ATOM 724 CB TYR A 50 9.903 2.291 -1.916 1.00 0.00 C ATOM 725 CG TYR A 50 10.631 3.616 -1.941 1.00 0.00 C ATOM 726 CD1 TYR A 50 10.783 4.347 -3.120 1.00 0.00 C ATOM 727 CD2 TYR A 50 11.185 4.130 -0.779 1.00 0.00 C ATOM 728 CE1 TYR A 50 11.467 5.546 -3.125 1.00 0.00 C ATOM 729 CE2 TYR A 50 11.872 5.323 -0.785 1.00 0.00 C ATOM 730 CZ TYR A 50 12.012 6.025 -1.957 1.00 0.00 C ATOM 731 OH TYR A 50 12.705 7.210 -1.962 1.00 0.00 O ATOM 0 H TYR A 50 7.774 2.987 -0.807 1.00 0.00 H new ATOM 0 HA TYR A 50 8.638 2.860 -3.559 1.00 0.00 H new ATOM 0 HB2 TYR A 50 9.752 1.992 -0.879 1.00 0.00 H new ATOM 0 HB3 TYR A 50 10.536 1.533 -2.377 1.00 0.00 H new ATOM 0 HD1 TYR A 50 10.360 3.970 -4.040 1.00 0.00 H new ATOM 0 HD2 TYR A 50 11.076 3.585 0.147 1.00 0.00 H new ATOM 0 HE1 TYR A 50 11.574 6.106 -4.043 1.00 0.00 H new ATOM 0 HE2 TYR A 50 12.300 5.706 0.130 1.00 0.00 H new ATOM 0 HH TYR A 50 13.024 7.406 -1.056 1.00 0.00 H new ATOM 741 N THR A 51 8.756 0.311 -3.969 1.00 0.00 N ATOM 742 CA THR A 51 8.488 -1.061 -4.360 1.00 0.00 C ATOM 743 C THR A 51 9.792 -1.832 -4.548 1.00 0.00 C ATOM 744 O THR A 51 10.548 -1.573 -5.488 1.00 0.00 O ATOM 745 CB THR A 51 7.671 -1.116 -5.664 1.00 0.00 C ATOM 746 OG1 THR A 51 6.960 0.118 -5.847 1.00 0.00 O ATOM 747 CG2 THR A 51 6.688 -2.276 -5.640 1.00 0.00 C ATOM 0 H THR A 51 9.450 0.785 -4.547 1.00 0.00 H new ATOM 0 HA THR A 51 7.908 -1.522 -3.561 1.00 0.00 H new ATOM 0 HB THR A 51 8.361 -1.265 -6.494 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.444 0.078 -6.679 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.123 -2.293 -6.572 1.00 0.00 H new ATOM 0 HG22 THR A 51 7.234 -3.213 -5.529 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.002 -2.154 -4.802 1.00 0.00 H new ATOM 755 N LYS A 52 10.070 -2.747 -3.629 1.00 0.00 N ATOM 756 CA LYS A 52 11.281 -3.557 -3.685 1.00 0.00 C ATOM 757 C LYS A 52 11.044 -4.887 -2.989 1.00 0.00 C ATOM 758 O LYS A 52 10.598 -4.905 -1.846 1.00 0.00 O ATOM 759 CB LYS A 52 12.447 -2.829 -3.011 1.00 0.00 C ATOM 760 CG LYS A 52 13.407 -2.167 -3.983 1.00 0.00 C ATOM 761 CD LYS A 52 13.919 -3.140 -5.024 1.00 0.00 C ATOM 762 CE LYS A 52 14.883 -2.468 -5.985 1.00 0.00 C ATOM 763 NZ LYS A 52 14.487 -2.676 -7.402 1.00 0.00 N ATOM 0 H LYS A 52 9.469 -2.948 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 52 11.532 -3.731 -4.731 1.00 0.00 H new ATOM 0 HB2 LYS A 52 12.048 -2.071 -2.338 1.00 0.00 H new ATOM 0 HB3 LYS A 52 13.000 -3.540 -2.398 1.00 0.00 H new ATOM 0 HG2 LYS A 52 12.905 -1.336 -4.479 1.00 0.00 H new ATOM 0 HG3 LYS A 52 14.249 -1.748 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 52 14.418 -3.974 -4.530 1.00 0.00 H new ATOM 0 HD3 LYS A 52 13.079 -3.555 -5.580 1.00 0.00 H new ATOM 0 HE2 LYS A 52 14.922 -1.400 -5.772 1.00 0.00 H new ATOM 0 HE3 LYS A 52 15.887 -2.862 -5.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 15.170 -2.202 -8.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 14.474 -3.694 -7.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 13.539 -2.278 -7.560 1.00 0.00 H new ATOM 777 N SER A 53 11.260 -5.990 -3.706 1.00 0.00 N ATOM 778 CA SER A 53 11.013 -7.336 -3.173 1.00 0.00 C ATOM 779 C SER A 53 9.522 -7.559 -2.921 1.00 0.00 C ATOM 780 O SER A 53 9.139 -8.424 -2.127 1.00 0.00 O ATOM 781 CB SER A 53 11.789 -7.552 -1.868 1.00 0.00 C ATOM 782 OG SER A 53 13.155 -7.196 -2.011 1.00 0.00 O ATOM 0 H SER A 53 11.608 -5.980 -4.665 1.00 0.00 H new ATOM 0 HA SER A 53 11.357 -8.054 -3.918 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.338 -6.958 -1.073 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.714 -8.597 -1.567 1.00 0.00 H new ATOM 0 HG SER A 53 13.410 -6.582 -1.291 1.00 0.00 H new ATOM 788 N GLY A 54 8.691 -6.714 -3.519 1.00 0.00 N ATOM 789 CA GLY A 54 7.270 -6.750 -3.235 1.00 0.00 C ATOM 790 C GLY A 54 6.971 -6.147 -1.877 1.00 0.00 C ATOM 791 O GLY A 54 5.894 -6.345 -1.316 1.00 0.00 O ATOM 0 H GLY A 54 8.976 -6.005 -4.195 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.728 -6.204 -4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.916 -7.780 -3.265 1.00 0.00 H new ATOM 795 N MET A 55 7.965 -5.461 -1.334 1.00 0.00 N ATOM 796 CA MET A 55 7.872 -4.858 -0.016 1.00 0.00 C ATOM 797 C MET A 55 7.770 -3.346 -0.132 1.00 0.00 C ATOM 798 O MET A 55 8.228 -2.756 -1.114 1.00 0.00 O ATOM 799 CB MET A 55 9.106 -5.221 0.813 1.00 0.00 C ATOM 800 CG MET A 55 8.800 -5.977 2.092 1.00 0.00 C ATOM 801 SD MET A 55 9.758 -7.500 2.243 1.00 0.00 S ATOM 802 CE MET A 55 11.422 -6.880 1.996 1.00 0.00 C ATOM 0 H MET A 55 8.861 -5.307 -1.797 1.00 0.00 H new ATOM 0 HA MET A 55 6.977 -5.239 0.476 1.00 0.00 H new ATOM 0 HB2 MET A 55 9.776 -5.824 0.200 1.00 0.00 H new ATOM 0 HB3 MET A 55 9.642 -4.306 1.065 1.00 0.00 H new ATOM 0 HG2 MET A 55 9.008 -5.335 2.948 1.00 0.00 H new ATOM 0 HG3 MET A 55 7.737 -6.216 2.123 1.00 0.00 H new ATOM 0 HE1 MET A 55 11.847 -7.326 1.097 1.00 0.00 H new ATOM 0 HE2 MET A 55 11.394 -5.796 1.884 1.00 0.00 H new ATOM 0 HE3 MET A 55 12.039 -7.140 2.856 1.00 0.00 H new ATOM 812 N ILE A 56 7.240 -2.722 0.906 1.00 0.00 N ATOM 813 CA ILE A 56 7.149 -1.270 0.968 1.00 0.00 C ATOM 814 C ILE A 56 8.006 -0.741 2.114 1.00 0.00 C ATOM 815 O ILE A 56 7.924 -1.235 3.241 1.00 0.00 O ATOM 816 CB ILE A 56 5.689 -0.793 1.145 1.00 0.00 C ATOM 817 CG1 ILE A 56 4.767 -1.542 0.163 1.00 0.00 C ATOM 818 CG2 ILE A 56 5.596 0.718 0.956 1.00 0.00 C ATOM 819 CD1 ILE A 56 3.649 -0.703 -0.428 1.00 0.00 C ATOM 0 H ILE A 56 6.863 -3.201 1.724 1.00 0.00 H new ATOM 0 HA ILE A 56 7.517 -0.876 0.021 1.00 0.00 H new ATOM 0 HB ILE A 56 5.359 -1.020 2.159 1.00 0.00 H new ATOM 0 HG12 ILE A 56 5.373 -1.939 -0.651 1.00 0.00 H new ATOM 0 HG13 ILE A 56 4.328 -2.396 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.562 1.038 1.084 1.00 0.00 H new ATOM 0 HG22 ILE A 56 6.224 1.216 1.695 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.936 0.981 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 56 3.054 -1.315 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 56 3.013 -0.327 0.374 1.00 0.00 H new ATOM 0 HD13 ILE A 56 4.075 0.137 -0.977 1.00 0.00 H new ATOM 830 N LEU A 57 8.906 0.176 1.793 1.00 0.00 N ATOM 831 CA LEU A 57 9.855 0.695 2.770 1.00 0.00 C ATOM 832 C LEU A 57 9.899 2.215 2.726 1.00 0.00 C ATOM 833 O LEU A 57 9.443 2.830 1.756 1.00 0.00 O ATOM 834 CB LEU A 57 11.255 0.136 2.491 1.00 0.00 C ATOM 835 CG LEU A 57 11.321 -1.371 2.239 1.00 0.00 C ATOM 836 CD1 LEU A 57 11.743 -1.650 0.805 1.00 0.00 C ATOM 837 CD2 LEU A 57 12.278 -2.037 3.218 1.00 0.00 C ATOM 0 H LEU A 57 9.000 0.578 0.860 1.00 0.00 H new ATOM 0 HA LEU A 57 9.528 0.382 3.761 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.667 0.651 1.623 1.00 0.00 H new ATOM 0 HB3 LEU A 57 11.898 0.374 3.338 1.00 0.00 H new ATOM 0 HG LEU A 57 10.327 -1.791 2.395 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.785 -2.727 0.641 1.00 0.00 H new ATOM 0 HD12 LEU A 57 11.020 -1.207 0.120 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.727 -1.217 0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.311 -3.109 3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.276 -1.615 3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.934 -1.865 4.238 1.00 0.00 H new ATOM 849 N CYS A 58 10.545 2.806 3.725 1.00 0.00 N ATOM 850 CA CYS A 58 10.761 4.241 3.750 1.00 0.00 C ATOM 851 C CYS A 58 11.941 4.592 2.848 1.00 0.00 C ATOM 852 O CYS A 58 12.525 3.709 2.220 1.00 0.00 O ATOM 853 CB CYS A 58 11.023 4.714 5.183 1.00 0.00 C ATOM 854 SG CYS A 58 12.539 4.035 5.929 1.00 0.00 S ATOM 0 H CYS A 58 10.928 2.308 4.529 1.00 0.00 H new ATOM 0 HA CYS A 58 9.868 4.746 3.382 1.00 0.00 H new ATOM 0 HB2 CYS A 58 11.085 5.802 5.189 1.00 0.00 H new ATOM 0 HB3 CYS A 58 10.171 4.440 5.805 1.00 0.00 H new ATOM 0 HG CYS A 58 12.293 3.664 7.150 1.00 0.00 H new ATOM 859 N ARG A 59 12.341 5.855 2.843 1.00 0.00 N ATOM 860 CA ARG A 59 13.506 6.262 2.066 1.00 0.00 C ATOM 861 C ARG A 59 14.768 5.694 2.689 1.00 0.00 C ATOM 862 O ARG A 59 15.549 5.028 2.017 1.00 0.00 O ATOM 863 CB ARG A 59 13.629 7.786 1.961 1.00 0.00 C ATOM 864 CG ARG A 59 12.393 8.546 2.399 1.00 0.00 C ATOM 865 CD ARG A 59 11.476 8.844 1.228 1.00 0.00 C ATOM 866 NE ARG A 59 10.159 9.280 1.683 1.00 0.00 N ATOM 867 CZ ARG A 59 9.102 8.480 1.797 1.00 0.00 C ATOM 868 NH1 ARG A 59 9.178 7.214 1.399 1.00 0.00 N ATOM 869 NH2 ARG A 59 7.965 8.952 2.301 1.00 0.00 N ATOM 0 H ARG A 59 11.885 6.607 3.359 1.00 0.00 H new ATOM 0 HA ARG A 59 13.376 5.869 1.058 1.00 0.00 H new ATOM 0 HB2 ARG A 59 14.475 8.113 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 59 13.856 8.050 0.928 1.00 0.00 H new ATOM 0 HG2 ARG A 59 11.853 7.964 3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.690 9.480 2.876 1.00 0.00 H new ATOM 0 HD2 ARG A 59 11.921 9.617 0.602 1.00 0.00 H new ATOM 0 HD3 ARG A 59 11.373 7.953 0.608 1.00 0.00 H new ATOM 0 HE ARG A 59 10.041 10.263 1.930 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.048 6.854 1.005 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.367 6.602 1.487 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.905 9.926 2.599 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.154 8.340 2.389 1.00 0.00 H new ATOM 883 N ASN A 60 14.927 5.914 3.989 1.00 0.00 N ATOM 884 CA ASN A 60 16.082 5.406 4.721 1.00 0.00 C ATOM 885 C ASN A 60 16.215 3.896 4.554 1.00 0.00 C ATOM 886 O ASN A 60 17.278 3.397 4.190 1.00 0.00 O ATOM 887 CB ASN A 60 15.969 5.760 6.207 1.00 0.00 C ATOM 888 CG ASN A 60 17.088 5.155 7.036 1.00 0.00 C ATOM 889 OD1 ASN A 60 18.266 5.273 6.696 1.00 0.00 O ATOM 890 ND2 ASN A 60 16.726 4.511 8.134 1.00 0.00 N ATOM 0 H ASN A 60 14.268 6.443 4.560 1.00 0.00 H new ATOM 0 HA ASN A 60 16.975 5.877 4.309 1.00 0.00 H new ATOM 0 HB2 ASN A 60 15.982 6.844 6.321 1.00 0.00 H new ATOM 0 HB3 ASN A 60 15.009 5.411 6.588 1.00 0.00 H new ATOM 0 HD21 ASN A 60 17.434 4.089 8.735 1.00 0.00 H new ATOM 0 HD22 ASN A 60 15.739 4.436 8.379 1.00 0.00 H new ATOM 897 N ASP A 61 15.121 3.179 4.781 1.00 0.00 N ATOM 898 CA ASP A 61 15.120 1.725 4.648 1.00 0.00 C ATOM 899 C ASP A 61 15.426 1.294 3.223 1.00 0.00 C ATOM 900 O ASP A 61 16.165 0.341 3.009 1.00 0.00 O ATOM 901 CB ASP A 61 13.778 1.139 5.087 1.00 0.00 C ATOM 902 CG ASP A 61 13.848 0.548 6.477 1.00 0.00 C ATOM 903 OD1 ASP A 61 13.602 1.280 7.461 1.00 0.00 O ATOM 904 OD2 ASP A 61 14.202 -0.650 6.594 1.00 0.00 O ATOM 0 H ASP A 61 14.224 3.579 5.058 1.00 0.00 H new ATOM 0 HA ASP A 61 15.906 1.342 5.299 1.00 0.00 H new ATOM 0 HB2 ASP A 61 13.016 1.918 5.062 1.00 0.00 H new ATOM 0 HB3 ASP A 61 13.470 0.369 4.380 1.00 0.00 H new ATOM 909 N TYR A 62 14.864 2.004 2.255 1.00 0.00 N ATOM 910 CA TYR A 62 15.077 1.685 0.850 1.00 0.00 C ATOM 911 C TYR A 62 16.563 1.685 0.501 1.00 0.00 C ATOM 912 O TYR A 62 17.064 0.748 -0.127 1.00 0.00 O ATOM 913 CB TYR A 62 14.338 2.684 -0.041 1.00 0.00 C ATOM 914 CG TYR A 62 14.370 2.325 -1.505 1.00 0.00 C ATOM 915 CD1 TYR A 62 13.710 1.200 -1.977 1.00 0.00 C ATOM 916 CD2 TYR A 62 15.074 3.103 -2.413 1.00 0.00 C ATOM 917 CE1 TYR A 62 13.748 0.863 -3.315 1.00 0.00 C ATOM 918 CE2 TYR A 62 15.116 2.774 -3.753 1.00 0.00 C ATOM 919 CZ TYR A 62 14.453 1.650 -4.198 1.00 0.00 C ATOM 920 OH TYR A 62 14.495 1.309 -5.531 1.00 0.00 O ATOM 0 H TYR A 62 14.256 2.807 2.417 1.00 0.00 H new ATOM 0 HA TYR A 62 14.682 0.684 0.674 1.00 0.00 H new ATOM 0 HB2 TYR A 62 13.300 2.751 0.286 1.00 0.00 H new ATOM 0 HB3 TYR A 62 14.779 3.672 0.092 1.00 0.00 H new ATOM 0 HD1 TYR A 62 13.158 0.578 -1.287 1.00 0.00 H new ATOM 0 HD2 TYR A 62 15.598 3.981 -2.065 1.00 0.00 H new ATOM 0 HE1 TYR A 62 13.227 -0.015 -3.668 1.00 0.00 H new ATOM 0 HE2 TYR A 62 15.664 3.393 -4.448 1.00 0.00 H new ATOM 0 HH TYR A 62 15.032 1.967 -6.020 1.00 0.00 H new ATOM 930 N ILE A 63 17.257 2.749 0.892 1.00 0.00 N ATOM 931 CA ILE A 63 18.677 2.882 0.583 1.00 0.00 C ATOM 932 C ILE A 63 19.511 1.905 1.409 1.00 0.00 C ATOM 933 O ILE A 63 20.512 1.374 0.932 1.00 0.00 O ATOM 934 CB ILE A 63 19.207 4.318 0.820 1.00 0.00 C ATOM 935 CG1 ILE A 63 18.108 5.371 0.612 1.00 0.00 C ATOM 936 CG2 ILE A 63 20.391 4.602 -0.096 1.00 0.00 C ATOM 937 CD1 ILE A 63 17.615 5.499 -0.818 1.00 0.00 C ATOM 0 H ILE A 63 16.863 3.527 1.420 1.00 0.00 H new ATOM 0 HA ILE A 63 18.776 2.652 -0.478 1.00 0.00 H new ATOM 0 HB ILE A 63 19.534 4.382 1.858 1.00 0.00 H new ATOM 0 HG12 ILE A 63 17.262 5.125 1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 63 18.485 6.340 0.940 1.00 0.00 H new ATOM 0 HG21 ILE A 63 20.753 5.615 0.081 1.00 0.00 H new ATOM 0 HG22 ILE A 63 21.190 3.889 0.110 1.00 0.00 H new ATOM 0 HG23 ILE A 63 20.078 4.505 -1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 63 16.841 6.265 -0.869 1.00 0.00 H new ATOM 0 HD12 ILE A 63 18.446 5.779 -1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 63 17.203 4.545 -1.148 1.00 0.00 H new ATOM 948 N ARG A 64 19.111 1.690 2.657 1.00 0.00 N ATOM 949 CA ARG A 64 19.850 0.809 3.557 1.00 0.00 C ATOM 950 C ARG A 64 19.681 -0.658 3.164 1.00 0.00 C ATOM 951 O ARG A 64 20.642 -1.427 3.179 1.00 0.00 O ATOM 952 CB ARG A 64 19.389 1.012 5.001 1.00 0.00 C ATOM 953 CG ARG A 64 19.743 2.378 5.570 1.00 0.00 C ATOM 954 CD ARG A 64 20.600 2.264 6.819 1.00 0.00 C ATOM 955 NE ARG A 64 21.857 1.569 6.554 1.00 0.00 N ATOM 956 CZ ARG A 64 22.956 2.162 6.085 1.00 0.00 C ATOM 957 NH1 ARG A 64 22.981 3.478 5.902 1.00 0.00 N ATOM 958 NH2 ARG A 64 24.036 1.444 5.811 1.00 0.00 N ATOM 0 H ARG A 64 18.280 2.113 3.070 1.00 0.00 H new ATOM 0 HA ARG A 64 20.906 1.067 3.476 1.00 0.00 H new ATOM 0 HB2 ARG A 64 18.309 0.877 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 64 19.836 0.240 5.628 1.00 0.00 H new ATOM 0 HG2 ARG A 64 20.274 2.959 4.816 1.00 0.00 H new ATOM 0 HG3 ARG A 64 18.828 2.922 5.805 1.00 0.00 H new ATOM 0 HD2 ARG A 64 20.811 3.261 7.207 1.00 0.00 H new ATOM 0 HD3 ARG A 64 20.046 1.731 7.592 1.00 0.00 H new ATOM 0 HE ARG A 64 21.897 0.567 6.739 1.00 0.00 H new ATOM 0 HH11 ARG A 64 22.158 4.039 6.120 1.00 0.00 H new ATOM 0 HH12 ARG A 64 23.824 3.927 5.543 1.00 0.00 H new ATOM 0 HH21 ARG A 64 24.028 0.435 5.959 1.00 0.00 H new ATOM 0 HH22 ARG A 64 24.875 1.901 5.452 1.00 0.00 H new ATOM 972 N LEU A 65 18.450 -1.053 2.878 1.00 0.00 N ATOM 973 CA LEU A 65 18.139 -2.444 2.574 1.00 0.00 C ATOM 974 C LEU A 65 18.726 -2.872 1.232 1.00 0.00 C ATOM 975 O LEU A 65 19.416 -3.887 1.146 1.00 0.00 O ATOM 976 CB LEU A 65 16.621 -2.662 2.564 1.00 0.00 C ATOM 977 CG LEU A 65 16.102 -3.771 3.487 1.00 0.00 C ATOM 978 CD1 LEU A 65 16.733 -5.108 3.136 1.00 0.00 C ATOM 979 CD2 LEU A 65 16.369 -3.424 4.941 1.00 0.00 C ATOM 0 H LEU A 65 17.645 -0.427 2.850 1.00 0.00 H new ATOM 0 HA LEU A 65 18.590 -3.057 3.354 1.00 0.00 H new ATOM 0 HB2 LEU A 65 16.136 -1.726 2.843 1.00 0.00 H new ATOM 0 HB3 LEU A 65 16.312 -2.890 1.544 1.00 0.00 H new ATOM 0 HG LEU A 65 15.025 -3.854 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 65 16.349 -5.878 3.805 1.00 0.00 H new ATOM 0 HD12 LEU A 65 16.488 -5.367 2.106 1.00 0.00 H new ATOM 0 HD13 LEU A 65 17.815 -5.039 3.245 1.00 0.00 H new ATOM 0 HD21 LEU A 65 15.994 -4.223 5.581 1.00 0.00 H new ATOM 0 HD22 LEU A 65 17.442 -3.308 5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 65 15.864 -2.491 5.191 1.00 0.00 H new ATOM 991 N PHE A 66 18.360 -2.167 0.171 1.00 0.00 N ATOM 992 CA PHE A 66 18.756 -2.583 -1.168 1.00 0.00 C ATOM 993 C PHE A 66 19.641 -1.546 -1.839 1.00 0.00 C ATOM 994 O PHE A 66 20.585 -1.895 -2.548 1.00 0.00 O ATOM 995 CB PHE A 66 17.514 -2.842 -2.026 1.00 0.00 C ATOM 996 CG PHE A 66 16.475 -3.674 -1.332 1.00 0.00 C ATOM 997 CD1 PHE A 66 16.660 -5.036 -1.170 1.00 0.00 C ATOM 998 CD2 PHE A 66 15.322 -3.092 -0.833 1.00 0.00 C ATOM 999 CE1 PHE A 66 15.712 -5.803 -0.525 1.00 0.00 C ATOM 1000 CE2 PHE A 66 14.370 -3.855 -0.184 1.00 0.00 C ATOM 1001 CZ PHE A 66 14.566 -5.212 -0.029 1.00 0.00 C ATOM 0 H PHE A 66 17.798 -1.317 0.208 1.00 0.00 H new ATOM 0 HA PHE A 66 19.332 -3.503 -1.073 1.00 0.00 H new ATOM 0 HB2 PHE A 66 17.073 -1.887 -2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 66 17.815 -3.343 -2.946 1.00 0.00 H new ATOM 0 HD1 PHE A 66 17.556 -5.503 -1.552 1.00 0.00 H new ATOM 0 HD2 PHE A 66 15.165 -2.030 -0.952 1.00 0.00 H new ATOM 0 HE1 PHE A 66 15.866 -6.866 -0.408 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.474 -3.390 0.201 1.00 0.00 H new ATOM 0 HZ PHE A 66 13.825 -5.811 0.479 1.00 0.00 H new ATOM 1011 N GLY A 67 19.294 -0.276 -1.674 1.00 0.00 N ATOM 1012 CA GLY A 67 20.046 0.787 -2.317 1.00 0.00 C ATOM 1013 C GLY A 67 19.651 0.980 -3.765 1.00 0.00 C ATOM 1014 O GLY A 67 19.409 2.106 -4.197 1.00 0.00 O ATOM 0 H GLY A 67 18.506 0.038 -1.107 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.890 1.719 -1.773 1.00 0.00 H new ATOM 0 HA3 GLY A 67 21.111 0.560 -2.261 1.00 0.00 H new ATOM 1424 N GLU A 102 10.079 7.222 -5.602 1.00 0.00 N ATOM 1425 CA GLU A 102 8.698 6.807 -5.761 1.00 0.00 C ATOM 1426 C GLU A 102 7.728 7.943 -5.459 1.00 0.00 C ATOM 1427 O GLU A 102 8.100 8.955 -4.857 1.00 0.00 O ATOM 1428 CB GLU A 102 8.383 5.611 -4.873 1.00 0.00 C ATOM 1429 CG GLU A 102 8.163 4.330 -5.657 1.00 0.00 C ATOM 1430 CD GLU A 102 7.407 4.559 -6.951 1.00 0.00 C ATOM 1431 OE1 GLU A 102 6.382 5.274 -6.929 1.00 0.00 O ATOM 1432 OE2 GLU A 102 7.848 4.041 -7.998 1.00 0.00 O ATOM 0 HA GLU A 102 8.571 6.519 -6.805 1.00 0.00 H new ATOM 0 HB2 GLU A 102 9.202 5.463 -4.169 1.00 0.00 H new ATOM 0 HB3 GLU A 102 7.491 5.828 -4.284 1.00 0.00 H new ATOM 0 HG2 GLU A 102 9.128 3.875 -5.880 1.00 0.00 H new ATOM 0 HG3 GLU A 102 7.612 3.621 -5.039 1.00 0.00 H new ATOM 1439 N ARG A 103 6.479 7.746 -5.854 1.00 0.00 N ATOM 1440 CA ARG A 103 5.418 8.715 -5.611 1.00 0.00 C ATOM 1441 C ARG A 103 4.052 8.061 -5.788 1.00 0.00 C ATOM 1442 O ARG A 103 3.067 8.726 -6.107 1.00 0.00 O ATOM 1443 CB ARG A 103 5.546 9.908 -6.564 1.00 0.00 C ATOM 1444 CG ARG A 103 4.920 11.186 -6.027 1.00 0.00 C ATOM 1445 CD ARG A 103 5.958 12.277 -5.829 1.00 0.00 C ATOM 1446 NE ARG A 103 7.236 11.740 -5.373 1.00 0.00 N ATOM 1447 CZ ARG A 103 8.401 12.364 -5.506 1.00 0.00 C ATOM 1448 NH1 ARG A 103 8.464 13.564 -6.075 1.00 0.00 N ATOM 1449 NH2 ARG A 103 9.504 11.792 -5.054 1.00 0.00 N ATOM 0 H ARG A 103 6.171 6.911 -6.352 1.00 0.00 H new ATOM 0 HA ARG A 103 5.513 9.072 -4.586 1.00 0.00 H new ATOM 0 HB2 ARG A 103 6.602 10.088 -6.768 1.00 0.00 H new ATOM 0 HB3 ARG A 103 5.077 9.655 -7.515 1.00 0.00 H new ATOM 0 HG2 ARG A 103 4.153 11.534 -6.718 1.00 0.00 H new ATOM 0 HG3 ARG A 103 4.424 10.978 -5.079 1.00 0.00 H new ATOM 0 HD2 ARG A 103 6.104 12.813 -6.767 1.00 0.00 H new ATOM 0 HD3 ARG A 103 5.589 13.001 -5.102 1.00 0.00 H new ATOM 0 HE ARG A 103 7.235 10.825 -4.922 1.00 0.00 H new ATOM 0 HH11 ARG A 103 7.613 14.013 -6.414 1.00 0.00 H new ATOM 0 HH12 ARG A 103 9.363 14.035 -6.173 1.00 0.00 H new ATOM 0 HH21 ARG A 103 9.457 10.877 -4.606 1.00 0.00 H new ATOM 0 HH22 ARG A 103 10.402 12.266 -5.153 1.00 0.00 H new ATOM 1463 N LEU A 104 4.005 6.743 -5.640 1.00 0.00 N ATOM 1464 CA LEU A 104 2.768 5.994 -5.851 1.00 0.00 C ATOM 1465 C LEU A 104 1.840 6.083 -4.641 1.00 0.00 C ATOM 1466 O LEU A 104 1.195 5.104 -4.268 1.00 0.00 O ATOM 1467 CB LEU A 104 3.084 4.530 -6.159 1.00 0.00 C ATOM 1468 CG LEU A 104 3.194 4.185 -7.645 1.00 0.00 C ATOM 1469 CD1 LEU A 104 3.823 2.812 -7.824 1.00 0.00 C ATOM 1470 CD2 LEU A 104 1.827 4.237 -8.309 1.00 0.00 C ATOM 0 H LEU A 104 4.806 6.170 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 104 2.253 6.441 -6.701 1.00 0.00 H new ATOM 0 HB2 LEU A 104 4.023 4.267 -5.671 1.00 0.00 H new ATOM 0 HB3 LEU A 104 2.308 3.906 -5.714 1.00 0.00 H new ATOM 0 HG LEU A 104 3.835 4.925 -8.125 1.00 0.00 H new ATOM 0 HD11 LEU A 104 3.895 2.580 -8.887 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.820 2.808 -7.384 1.00 0.00 H new ATOM 0 HD13 LEU A 104 3.206 2.062 -7.330 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.926 3.989 -9.366 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.162 3.520 -7.829 1.00 0.00 H new ATOM 0 HD23 LEU A 104 1.412 5.240 -8.209 1.00 0.00 H new ATOM 1482 N ILE A 105 1.735 7.270 -4.061 1.00 0.00 N ATOM 1483 CA ILE A 105 0.840 7.490 -2.940 1.00 0.00 C ATOM 1484 C ILE A 105 -0.375 8.299 -3.372 1.00 0.00 C ATOM 1485 O ILE A 105 -0.294 9.511 -3.582 1.00 0.00 O ATOM 1486 CB ILE A 105 1.547 8.207 -1.763 1.00 0.00 C ATOM 1487 CG1 ILE A 105 2.575 7.269 -1.118 1.00 0.00 C ATOM 1488 CG2 ILE A 105 0.523 8.689 -0.738 1.00 0.00 C ATOM 1489 CD1 ILE A 105 2.804 7.497 0.361 1.00 0.00 C ATOM 0 H ILE A 105 2.260 8.095 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 105 0.519 6.507 -2.594 1.00 0.00 H new ATOM 0 HB ILE A 105 2.073 9.081 -2.146 1.00 0.00 H new ATOM 0 HG12 ILE A 105 2.249 6.239 -1.266 1.00 0.00 H new ATOM 0 HG13 ILE A 105 3.525 7.381 -1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 105 1.037 9.190 0.082 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -0.167 9.386 -1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -0.033 7.835 -0.350 1.00 0.00 H new ATOM 0 HD11 ILE A 105 3.546 6.788 0.728 1.00 0.00 H new ATOM 0 HD12 ILE A 105 3.163 8.513 0.521 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.868 7.354 0.900 1.00 0.00 H new ATOM 1500 N THR A 106 -1.506 7.626 -3.451 1.00 0.00 N ATOM 1501 CA THR A 106 -2.766 8.280 -3.744 1.00 0.00 C ATOM 1502 C THR A 106 -3.538 8.471 -2.446 1.00 0.00 C ATOM 1503 O THR A 106 -4.020 7.501 -1.859 1.00 0.00 O ATOM 1504 CB THR A 106 -3.608 7.442 -4.719 1.00 0.00 C ATOM 1505 OG1 THR A 106 -2.755 6.581 -5.489 1.00 0.00 O ATOM 1506 CG2 THR A 106 -4.420 8.324 -5.650 1.00 0.00 C ATOM 0 H THR A 106 -1.578 6.618 -3.315 1.00 0.00 H new ATOM 0 HA THR A 106 -2.560 9.244 -4.209 1.00 0.00 H new ATOM 0 HB THR A 106 -4.301 6.841 -4.131 1.00 0.00 H new ATOM 0 HG1 THR A 106 -2.466 5.826 -4.935 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.004 7.699 -6.326 1.00 0.00 H new ATOM 0 HG22 THR A 106 -5.092 8.950 -5.064 1.00 0.00 H new ATOM 0 HG23 THR A 106 -3.748 8.957 -6.230 1.00 0.00 H new ATOM 1514 N ARG A 107 -3.492 9.675 -1.903 1.00 0.00 N ATOM 1515 CA ARG A 107 -4.056 9.921 -0.589 1.00 0.00 C ATOM 1516 C ARG A 107 -5.068 11.055 -0.603 1.00 0.00 C ATOM 1517 O ARG A 107 -4.702 12.227 -0.524 1.00 0.00 O ATOM 1518 CB ARG A 107 -2.951 10.248 0.416 1.00 0.00 C ATOM 1519 CG ARG A 107 -3.170 9.627 1.786 1.00 0.00 C ATOM 1520 CD ARG A 107 -4.353 10.248 2.519 1.00 0.00 C ATOM 1521 NE ARG A 107 -4.516 9.657 3.842 1.00 0.00 N ATOM 1522 CZ ARG A 107 -4.252 10.292 4.983 1.00 0.00 C ATOM 1523 NH1 ARG A 107 -3.923 11.577 4.980 1.00 0.00 N ATOM 1524 NH2 ARG A 107 -4.328 9.633 6.128 1.00 0.00 N ATOM 0 H ARG A 107 -3.073 10.492 -2.348 1.00 0.00 H new ATOM 0 HA ARG A 107 -4.571 9.008 -0.291 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -1.996 9.903 0.019 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -2.879 11.330 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.336 8.556 1.675 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.268 9.749 2.386 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -4.203 11.324 2.613 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -5.263 10.103 1.937 1.00 0.00 H new ATOM 0 HE ARG A 107 -4.854 8.696 3.897 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -3.870 12.088 4.099 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -3.723 12.054 5.859 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -4.587 8.646 6.132 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -4.127 10.112 7.006 1.00 0.00 H new ATOM 1538 N LEU A 108 -6.330 10.689 -0.481 1.00 0.00 N ATOM 1539 CA LEU A 108 -7.369 11.667 -0.226 1.00 0.00 C ATOM 1540 C LEU A 108 -8.438 11.043 0.658 1.00 0.00 C ATOM 1541 O LEU A 108 -9.333 10.369 0.166 1.00 0.00 O ATOM 1542 CB LEU A 108 -7.996 12.143 -1.542 1.00 0.00 C ATOM 1543 CG LEU A 108 -7.458 13.470 -2.079 1.00 0.00 C ATOM 1544 CD1 LEU A 108 -6.641 13.241 -3.339 1.00 0.00 C ATOM 1545 CD2 LEU A 108 -8.602 14.433 -2.350 1.00 0.00 C ATOM 0 H LEU A 108 -6.659 9.726 -0.554 1.00 0.00 H new ATOM 0 HA LEU A 108 -6.930 12.528 0.278 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -7.841 11.374 -2.299 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -9.073 12.237 -1.399 1.00 0.00 H new ATOM 0 HG LEU A 108 -6.807 13.912 -1.325 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -6.266 14.196 -3.708 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.801 12.584 -3.114 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -7.269 12.779 -4.101 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -8.204 15.373 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -9.276 13.998 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -9.148 14.619 -1.425 1.00 0.00 H new ATOM 1557 N GLU A 109 -8.365 11.309 1.950 1.00 0.00 N ATOM 1558 CA GLU A 109 -9.379 10.838 2.882 1.00 0.00 C ATOM 1559 C GLU A 109 -9.615 11.863 3.972 1.00 0.00 C ATOM 1560 O GLU A 109 -8.701 12.212 4.722 1.00 0.00 O ATOM 1561 CB GLU A 109 -9.007 9.496 3.487 1.00 0.00 C ATOM 1562 CG GLU A 109 -10.180 8.513 3.638 1.00 0.00 C ATOM 1563 CD GLU A 109 -11.473 8.911 2.929 1.00 0.00 C ATOM 1564 OE1 GLU A 109 -11.996 10.021 3.169 1.00 0.00 O ATOM 1565 OE2 GLU A 109 -12.003 8.078 2.161 1.00 0.00 O ATOM 0 H GLU A 109 -7.614 11.849 2.380 1.00 0.00 H new ATOM 0 HA GLU A 109 -10.303 10.701 2.320 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -8.240 9.033 2.866 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -8.564 9.665 4.468 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -9.865 7.540 3.261 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -10.393 8.390 4.700 1.00 0.00 H new