USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 366 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 26 CYS SG : rot 154:sc= 0.401 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -0.739 X(o=-1.7,f=-1.2) USER MOD Set 1.3: A 45 CYS SG : rot -172:sc= -4.25! USER MOD Set 1.4: A 48 CYS SG : rot -78:sc= 1.5 USER MOD Set 1.5: A 50 THR OG1 : rot 86:sc= 1.36 USER MOD Set 2.1: A 11 CYS SG : rot -134:sc= 0.373 USER MOD Set 2.2: A 14 CYS SG : rot 145:sc= 0.35 USER MOD Set 2.3: A 31 CYS SG : rot -51:sc= -0.463 USER MOD Set 2.4: A 34 CYS SG : rot 139:sc= 0.222 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0447 X(o=-0.045,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= -1.33 X(o=-1.3,f=-0.9) USER MOD Single : A 29 LYS NZ :NH3+ -123:sc= 0.128 (180deg=0) USER MOD Single : A 30 SER OG : rot 180:sc= -0.219 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= -0.054 K(o=-0.054,f=-1.6!) USER MOD Single : A 37 GLN : amide:sc= -0.276 X(o=-0.28,f=0) USER MOD Single : A 38 HIS : no HE2:sc= -0.734 K(o=-0.73,f=-5.7!) USER MOD Single : A 40 MET CE :methyl 171:sc= 0 (180deg=-0.0881) USER MOD Single : A 41 ASN : amide:sc= -0.173 X(o=-0.17,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 176:sc= 0.329 (180deg=0.327) USER MOD Single : A 51 THR OG1 : rot -41:sc= 0.109 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 10 2.982 -8.757 -11.733 1.00 0.00 N ATOM 130 CA LEU A 10 2.789 -9.125 -10.329 1.00 0.00 C ATOM 131 C LEU A 10 1.356 -8.801 -9.916 1.00 0.00 C ATOM 132 O LEU A 10 0.796 -7.786 -10.346 1.00 0.00 O ATOM 133 CB LEU A 10 3.825 -8.404 -9.421 1.00 0.00 C ATOM 134 CG LEU A 10 5.315 -8.847 -9.630 1.00 0.00 C ATOM 135 CD1 LEU A 10 6.292 -7.990 -8.794 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.507 -10.359 -9.324 1.00 0.00 C ATOM 0 HA LEU A 10 2.952 -10.196 -10.209 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.753 -7.331 -9.596 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.554 -8.576 -8.379 1.00 0.00 H new ATOM 0 HG LEU A 10 5.550 -8.683 -10.682 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.313 -8.329 -8.967 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.202 -6.944 -9.088 1.00 0.00 H new ATOM 0 HD13 LEU A 10 6.051 -8.091 -7.736 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.551 -10.632 -9.479 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.230 -10.559 -8.289 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.875 -10.948 -9.989 1.00 0.00 H new ATOM 148 N CYS A 11 0.778 -9.692 -9.093 1.00 0.00 N ATOM 149 CA CYS A 11 -0.601 -9.575 -8.604 1.00 0.00 C ATOM 150 C CYS A 11 -0.775 -8.243 -7.837 1.00 0.00 C ATOM 151 O CYS A 11 -0.146 -8.077 -6.809 1.00 0.00 O ATOM 152 CB CYS A 11 -0.920 -10.767 -7.675 1.00 0.00 C ATOM 153 SG CYS A 11 -2.620 -10.767 -7.033 1.00 0.00 S ATOM 0 H CYS A 11 1.262 -10.521 -8.747 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.288 -9.586 -9.450 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.748 -11.695 -8.220 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.225 -10.756 -6.835 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.602 -11.021 -5.758 1.00 0.00 H new ATOM 158 N PRO A 12 -1.624 -7.276 -8.325 1.00 0.00 N ATOM 159 CA PRO A 12 -1.756 -5.912 -7.709 1.00 0.00 C ATOM 160 C PRO A 12 -2.195 -5.944 -6.218 1.00 0.00 C ATOM 161 O PRO A 12 -1.958 -4.990 -5.471 1.00 0.00 O ATOM 162 CB PRO A 12 -2.808 -5.204 -8.621 1.00 0.00 C ATOM 163 CG PRO A 12 -3.527 -6.322 -9.325 1.00 0.00 C ATOM 164 CD PRO A 12 -2.502 -7.412 -9.521 1.00 0.00 C ATOM 0 HA PRO A 12 -0.800 -5.389 -7.671 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.498 -4.600 -8.032 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.326 -4.534 -9.333 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.369 -6.679 -8.732 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -3.929 -5.987 -10.281 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.966 -8.397 -9.569 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.944 -7.277 -10.447 1.00 0.00 H new ATOM 172 N ILE A 13 -2.828 -7.055 -5.816 1.00 0.00 N ATOM 173 CA ILE A 13 -3.289 -7.290 -4.437 1.00 0.00 C ATOM 174 C ILE A 13 -2.117 -7.769 -3.526 1.00 0.00 C ATOM 175 O ILE A 13 -1.997 -7.336 -2.371 1.00 0.00 O ATOM 176 CB ILE A 13 -4.443 -8.368 -4.449 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.634 -7.884 -5.351 1.00 0.00 C ATOM 178 CG2 ILE A 13 -4.925 -8.720 -3.013 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.750 -8.900 -5.560 1.00 0.00 C ATOM 0 H ILE A 13 -3.038 -7.828 -6.448 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.666 -6.352 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.038 -9.285 -4.877 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.062 -6.985 -4.907 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.237 -7.600 -6.326 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.719 -9.465 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.091 -9.121 -2.437 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.304 -7.821 -2.526 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.522 -8.467 -6.196 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.345 -9.792 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.183 -9.169 -4.596 1.00 0.00 H new ATOM 191 N CYS A 14 -1.246 -8.644 -4.072 1.00 0.00 N ATOM 192 CA CYS A 14 -0.193 -9.353 -3.294 1.00 0.00 C ATOM 193 C CYS A 14 1.190 -8.717 -3.520 1.00 0.00 C ATOM 194 O CYS A 14 1.891 -8.385 -2.565 1.00 0.00 O ATOM 195 CB CYS A 14 -0.179 -10.844 -3.688 1.00 0.00 C ATOM 196 SG CYS A 14 -1.765 -11.681 -3.399 1.00 0.00 S ATOM 0 H CYS A 14 -1.248 -8.883 -5.064 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.423 -9.264 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.083 -10.931 -4.743 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.601 -11.354 -3.123 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.967 -12.562 -4.333 1.00 0.00 H new ATOM 201 N TYR A 15 1.564 -8.618 -4.809 1.00 0.00 N ATOM 202 CA TYR A 15 2.793 -7.965 -5.327 1.00 0.00 C ATOM 203 C TYR A 15 4.021 -8.898 -5.229 1.00 0.00 C ATOM 204 O TYR A 15 4.877 -8.878 -6.105 1.00 0.00 O ATOM 205 CB TYR A 15 3.071 -6.564 -4.676 1.00 0.00 C ATOM 206 CG TYR A 15 3.668 -5.525 -5.643 1.00 0.00 C ATOM 207 CD1 TYR A 15 5.043 -5.458 -5.902 1.00 0.00 C ATOM 208 CD2 TYR A 15 2.836 -4.620 -6.311 1.00 0.00 C ATOM 209 CE1 TYR A 15 5.557 -4.526 -6.785 1.00 0.00 C ATOM 210 CE2 TYR A 15 3.352 -3.694 -7.195 1.00 0.00 C ATOM 211 CZ TYR A 15 4.710 -3.649 -7.425 1.00 0.00 C ATOM 212 OH TYR A 15 5.219 -2.732 -8.313 1.00 0.00 O ATOM 0 H TYR A 15 0.993 -9.009 -5.559 1.00 0.00 H new ATOM 0 HA TYR A 15 2.609 -7.772 -6.384 1.00 0.00 H new ATOM 0 HB2 TYR A 15 2.138 -6.173 -4.271 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.753 -6.695 -3.836 1.00 0.00 H new ATOM 0 HD1 TYR A 15 5.712 -6.145 -5.405 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.771 -4.646 -6.132 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.620 -4.486 -6.972 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.693 -3.007 -7.705 1.00 0.00 H new ATOM 0 HH TYR A 15 4.489 -2.190 -8.678 1.00 0.00 H new ATOM 222 N ALA A 16 4.095 -9.716 -4.160 1.00 0.00 N ATOM 223 CA ALA A 16 5.200 -10.673 -3.948 1.00 0.00 C ATOM 224 C ALA A 16 5.133 -11.851 -4.943 1.00 0.00 C ATOM 225 O ALA A 16 6.169 -12.370 -5.381 1.00 0.00 O ATOM 226 CB ALA A 16 5.171 -11.172 -2.494 1.00 0.00 C ATOM 0 H ALA A 16 3.392 -9.732 -3.421 1.00 0.00 H new ATOM 0 HA ALA A 16 6.144 -10.160 -4.132 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.986 -11.878 -2.335 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.287 -10.326 -1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.219 -11.666 -2.298 1.00 0.00 H new ATOM 232 N HIS A 17 3.898 -12.250 -5.307 1.00 0.00 N ATOM 233 CA HIS A 17 3.633 -13.350 -6.265 1.00 0.00 C ATOM 234 C HIS A 17 2.971 -12.773 -7.535 1.00 0.00 C ATOM 235 O HIS A 17 2.258 -11.761 -7.452 1.00 0.00 O ATOM 236 CB HIS A 17 2.747 -14.462 -5.618 1.00 0.00 C ATOM 237 CG HIS A 17 3.468 -15.355 -4.630 1.00 0.00 C ATOM 238 ND1 HIS A 17 2.829 -16.014 -3.596 1.00 0.00 N ATOM 239 CD2 HIS A 17 4.768 -15.747 -4.556 1.00 0.00 C ATOM 240 CE1 HIS A 17 3.697 -16.765 -2.945 1.00 0.00 C ATOM 241 NE2 HIS A 17 4.877 -16.623 -3.509 1.00 0.00 N ATOM 0 H HIS A 17 3.049 -11.817 -4.944 1.00 0.00 H new ATOM 0 HA HIS A 17 4.579 -13.817 -6.540 1.00 0.00 H new ATOM 0 HB2 HIS A 17 1.906 -13.988 -5.111 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.332 -15.083 -6.412 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.569 -15.426 -5.205 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.476 -17.391 -2.093 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.735 -17.090 -3.214 1.00 0.00 H new ATOM 250 N PRO A 18 3.194 -13.411 -8.736 1.00 0.00 N ATOM 251 CA PRO A 18 2.715 -12.880 -10.028 1.00 0.00 C ATOM 252 C PRO A 18 1.219 -13.159 -10.281 1.00 0.00 C ATOM 253 O PRO A 18 0.459 -13.446 -9.356 1.00 0.00 O ATOM 254 CB PRO A 18 3.620 -13.615 -11.044 1.00 0.00 C ATOM 255 CG PRO A 18 3.809 -14.960 -10.428 1.00 0.00 C ATOM 256 CD PRO A 18 3.929 -14.705 -8.934 1.00 0.00 C ATOM 0 HA PRO A 18 2.779 -11.793 -10.086 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.149 -13.685 -12.025 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.570 -13.099 -11.182 1.00 0.00 H new ATOM 0 HG2 PRO A 18 2.966 -15.615 -10.649 1.00 0.00 H new ATOM 0 HG3 PRO A 18 4.703 -15.448 -10.817 1.00 0.00 H new ATOM 0 HD2 PRO A 18 3.483 -15.512 -8.353 1.00 0.00 H new ATOM 0 HD3 PRO A 18 4.971 -14.626 -8.623 1.00 0.00 H new ATOM 264 N ILE A 19 0.811 -12.986 -11.541 1.00 0.00 N ATOM 265 CA ILE A 19 -0.513 -13.378 -12.034 1.00 0.00 C ATOM 266 C ILE A 19 -0.475 -14.853 -12.469 1.00 0.00 C ATOM 267 O ILE A 19 0.544 -15.332 -12.985 1.00 0.00 O ATOM 268 CB ILE A 19 -0.937 -12.470 -13.247 1.00 0.00 C ATOM 269 CG1 ILE A 19 -1.083 -10.967 -12.802 1.00 0.00 C ATOM 270 CG2 ILE A 19 -2.234 -12.990 -13.927 1.00 0.00 C ATOM 271 CD1 ILE A 19 -1.286 -9.966 -13.935 1.00 0.00 C ATOM 0 H ILE A 19 1.400 -12.563 -12.259 1.00 0.00 H new ATOM 0 HA ILE A 19 -1.245 -13.251 -11.236 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.142 -12.522 -13.991 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.926 -10.889 -12.116 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.191 -10.683 -12.244 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.495 -12.337 -14.760 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.070 -14.002 -14.297 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -3.048 -12.996 -13.202 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.375 -8.961 -13.521 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.433 -10.005 -14.612 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.195 -10.215 -14.482 1.00 0.00 H new ATOM 283 N SER A 20 -1.591 -15.556 -12.253 1.00 0.00 N ATOM 284 CA SER A 20 -1.729 -16.969 -12.617 1.00 0.00 C ATOM 285 C SER A 20 -3.032 -17.203 -13.412 1.00 0.00 C ATOM 286 O SER A 20 -3.149 -18.205 -14.124 1.00 0.00 O ATOM 287 CB SER A 20 -1.725 -17.815 -11.323 1.00 0.00 C ATOM 288 OG SER A 20 -0.691 -17.407 -10.432 1.00 0.00 O ATOM 0 H SER A 20 -2.425 -15.160 -11.820 1.00 0.00 H new ATOM 0 HA SER A 20 -0.895 -17.265 -13.254 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.691 -17.725 -10.826 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.594 -18.867 -11.576 1.00 0.00 H new ATOM 0 HG SER A 20 -0.718 -17.961 -9.624 1.00 0.00 H new ATOM 294 N ALA A 21 -4.008 -16.266 -13.301 1.00 0.00 N ATOM 295 CA ALA A 21 -5.383 -16.476 -13.806 1.00 0.00 C ATOM 296 C ALA A 21 -5.932 -15.223 -14.519 1.00 0.00 C ATOM 297 O ALA A 21 -5.808 -14.101 -14.002 1.00 0.00 O ATOM 298 CB ALA A 21 -6.313 -16.884 -12.641 1.00 0.00 C ATOM 0 H ALA A 21 -3.864 -15.356 -12.864 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.350 -17.279 -14.542 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.324 -17.037 -13.019 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.950 -17.808 -12.192 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.322 -16.095 -11.889 1.00 0.00 H new ATOM 304 N VAL A 22 -6.539 -15.448 -15.708 1.00 0.00 N ATOM 305 CA VAL A 22 -7.289 -14.433 -16.479 1.00 0.00 C ATOM 306 C VAL A 22 -8.797 -14.722 -16.374 1.00 0.00 C ATOM 307 O VAL A 22 -9.221 -15.885 -16.383 1.00 0.00 O ATOM 308 CB VAL A 22 -6.829 -14.375 -17.992 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.952 -15.744 -18.703 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.568 -13.261 -18.782 1.00 0.00 C ATOM 0 H VAL A 22 -6.520 -16.359 -16.166 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.076 -13.454 -16.050 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.769 -14.120 -17.977 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.624 -15.647 -19.738 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.328 -16.477 -18.191 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.991 -16.073 -18.681 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.222 -13.257 -19.815 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.641 -13.450 -18.760 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.361 -12.293 -18.326 1.00 0.00 H new ATOM 320 N PHE A 23 -9.600 -13.656 -16.252 1.00 0.00 N ATOM 321 CA PHE A 23 -11.037 -13.763 -15.949 1.00 0.00 C ATOM 322 C PHE A 23 -11.862 -13.475 -17.210 1.00 0.00 C ATOM 323 O PHE A 23 -12.121 -12.313 -17.535 1.00 0.00 O ATOM 324 CB PHE A 23 -11.415 -12.785 -14.796 1.00 0.00 C ATOM 325 CG PHE A 23 -10.476 -12.832 -13.587 1.00 0.00 C ATOM 326 CD1 PHE A 23 -9.960 -14.042 -13.115 1.00 0.00 C ATOM 327 CD2 PHE A 23 -10.100 -11.657 -12.930 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.101 -14.073 -12.038 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.244 -11.696 -11.853 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.743 -12.904 -11.411 1.00 0.00 C ATOM 0 H PHE A 23 -9.274 -12.696 -16.360 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.261 -14.778 -15.620 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.429 -11.769 -15.189 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.428 -13.012 -14.462 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.238 -14.965 -13.601 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.486 -10.708 -13.271 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.709 -15.016 -11.687 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.964 -10.781 -11.353 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.067 -12.930 -10.569 1.00 0.00 H new ATOM 340 N GLN A 24 -12.218 -14.549 -17.934 1.00 0.00 N ATOM 341 CA GLN A 24 -13.086 -14.474 -19.121 1.00 0.00 C ATOM 342 C GLN A 24 -14.522 -14.048 -18.736 1.00 0.00 C ATOM 343 O GLN A 24 -15.013 -14.433 -17.661 1.00 0.00 O ATOM 344 CB GLN A 24 -13.089 -15.840 -19.883 1.00 0.00 C ATOM 345 CG GLN A 24 -11.939 -15.981 -20.895 1.00 0.00 C ATOM 346 CD GLN A 24 -11.909 -17.321 -21.635 1.00 0.00 C ATOM 347 OE1 GLN A 24 -12.933 -17.976 -21.821 1.00 0.00 O ATOM 348 NE2 GLN A 24 -10.739 -17.714 -22.106 1.00 0.00 N ATOM 0 H GLN A 24 -11.911 -15.496 -17.712 1.00 0.00 H new ATOM 0 HA GLN A 24 -12.685 -13.711 -19.789 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -13.026 -16.651 -19.158 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -14.039 -15.953 -20.406 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.015 -15.177 -21.627 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.992 -15.847 -20.372 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.906 -17.151 -21.937 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -10.669 -18.581 -22.639 1.00 0.00 H new ATOM 357 N PRO A 25 -15.224 -13.236 -19.598 1.00 0.00 N ATOM 358 CA PRO A 25 -14.709 -12.690 -20.892 1.00 0.00 C ATOM 359 C PRO A 25 -13.905 -11.371 -20.751 1.00 0.00 C ATOM 360 O PRO A 25 -13.418 -10.850 -21.762 1.00 0.00 O ATOM 361 CB PRO A 25 -16.024 -12.451 -21.719 1.00 0.00 C ATOM 362 CG PRO A 25 -17.156 -12.882 -20.814 1.00 0.00 C ATOM 363 CD PRO A 25 -16.616 -12.817 -19.406 1.00 0.00 C ATOM 0 HA PRO A 25 -13.997 -13.375 -21.354 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -16.125 -11.403 -22.001 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.018 -13.031 -22.642 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -18.019 -12.227 -20.931 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -17.487 -13.891 -21.058 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.687 -11.813 -18.987 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -17.154 -13.483 -18.731 1.00 0.00 H new ATOM 371 N CYS A 26 -13.749 -10.862 -19.506 1.00 0.00 N ATOM 372 CA CYS A 26 -13.234 -9.499 -19.241 1.00 0.00 C ATOM 373 C CYS A 26 -11.771 -9.292 -19.683 1.00 0.00 C ATOM 374 O CYS A 26 -11.493 -8.428 -20.522 1.00 0.00 O ATOM 375 CB CYS A 26 -13.384 -9.129 -17.756 1.00 0.00 C ATOM 376 SG CYS A 26 -12.813 -7.442 -17.393 1.00 0.00 S ATOM 0 H CYS A 26 -13.976 -11.384 -18.660 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.847 -8.835 -19.850 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.430 -9.224 -17.466 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.819 -9.838 -17.150 1.00 0.00 H new ATOM 0 HG CYS A 26 -13.426 -6.994 -16.338 1.00 0.00 H new ATOM 381 N GLY A 27 -10.845 -10.088 -19.116 1.00 0.00 N ATOM 382 CA GLY A 27 -9.410 -9.955 -19.406 1.00 0.00 C ATOM 383 C GLY A 27 -8.564 -9.568 -18.197 1.00 0.00 C ATOM 384 O GLY A 27 -7.336 -9.691 -18.259 1.00 0.00 O ATOM 0 H GLY A 27 -11.069 -10.831 -18.453 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -9.042 -10.900 -19.806 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.276 -9.205 -20.185 1.00 0.00 H new ATOM 388 N HIS A 28 -9.205 -9.065 -17.101 1.00 0.00 N ATOM 389 CA HIS A 28 -8.493 -8.732 -15.835 1.00 0.00 C ATOM 390 C HIS A 28 -7.890 -9.993 -15.211 1.00 0.00 C ATOM 391 O HIS A 28 -8.315 -11.118 -15.505 1.00 0.00 O ATOM 392 CB HIS A 28 -9.406 -8.000 -14.805 1.00 0.00 C ATOM 393 CG HIS A 28 -9.531 -6.506 -15.005 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.749 -5.889 -14.944 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.570 -5.571 -15.221 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.504 -4.592 -15.121 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.200 -4.361 -15.293 1.00 0.00 N ATOM 0 H HIS A 28 -10.208 -8.883 -17.071 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.692 -8.041 -16.097 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.402 -8.441 -14.848 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.018 -8.185 -13.803 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.509 -5.750 -15.318 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.264 -3.824 -15.125 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.759 -3.455 -15.448 1.00 0.00 H new ATOM 405 N LYS A 29 -6.922 -9.782 -14.313 1.00 0.00 N ATOM 406 CA LYS A 29 -5.968 -10.817 -13.908 1.00 0.00 C ATOM 407 C LYS A 29 -5.454 -10.619 -12.466 1.00 0.00 C ATOM 408 O LYS A 29 -5.260 -9.487 -12.002 1.00 0.00 O ATOM 409 CB LYS A 29 -4.783 -10.806 -14.923 1.00 0.00 C ATOM 410 CG LYS A 29 -5.040 -11.618 -16.212 1.00 0.00 C ATOM 411 CD LYS A 29 -3.995 -11.384 -17.313 1.00 0.00 C ATOM 412 CE LYS A 29 -4.131 -10.015 -17.972 1.00 0.00 C ATOM 413 NZ LYS A 29 -3.152 -9.834 -19.073 1.00 0.00 N ATOM 0 H LYS A 29 -6.779 -8.886 -13.846 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.474 -11.782 -13.916 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -4.564 -9.774 -15.196 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.895 -11.201 -14.430 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.060 -12.679 -15.963 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -6.026 -11.363 -16.600 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.996 -11.480 -16.887 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -4.093 -12.160 -18.072 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.142 -9.898 -18.362 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.985 -9.235 -17.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.572 -8.991 -18.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -2.537 -10.671 -19.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.660 -9.713 -19.973 1.00 0.00 H new ATOM 427 N SER A 30 -5.229 -11.752 -11.780 1.00 0.00 N ATOM 428 CA SER A 30 -4.553 -11.811 -10.469 1.00 0.00 C ATOM 429 C SER A 30 -3.958 -13.216 -10.275 1.00 0.00 C ATOM 430 O SER A 30 -4.064 -14.072 -11.168 1.00 0.00 O ATOM 431 CB SER A 30 -5.526 -11.449 -9.305 1.00 0.00 C ATOM 432 OG SER A 30 -6.484 -12.467 -9.062 1.00 0.00 O ATOM 0 H SER A 30 -5.515 -12.668 -12.125 1.00 0.00 H new ATOM 0 HA SER A 30 -3.752 -11.072 -10.451 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.951 -11.272 -8.396 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.042 -10.518 -9.543 1.00 0.00 H new ATOM 0 HG SER A 30 -7.069 -12.196 -8.324 1.00 0.00 H new ATOM 438 N CYS A 31 -3.327 -13.454 -9.112 1.00 0.00 N ATOM 439 CA CYS A 31 -2.732 -14.767 -8.785 1.00 0.00 C ATOM 440 C CYS A 31 -3.839 -15.804 -8.496 1.00 0.00 C ATOM 441 O CYS A 31 -4.991 -15.424 -8.206 1.00 0.00 O ATOM 442 CB CYS A 31 -1.793 -14.655 -7.561 1.00 0.00 C ATOM 443 SG CYS A 31 -2.653 -14.426 -5.970 1.00 0.00 S ATOM 0 H CYS A 31 -3.214 -12.754 -8.379 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.150 -15.096 -9.646 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.182 -15.556 -7.503 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.112 -13.818 -7.716 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.501 -13.446 -6.072 1.00 0.00 H new ATOM 448 N LYS A 32 -3.462 -17.100 -8.556 1.00 0.00 N ATOM 449 CA LYS A 32 -4.357 -18.243 -8.271 1.00 0.00 C ATOM 450 C LYS A 32 -4.978 -18.118 -6.868 1.00 0.00 C ATOM 451 O LYS A 32 -6.167 -18.358 -6.693 1.00 0.00 O ATOM 452 CB LYS A 32 -3.547 -19.563 -8.352 1.00 0.00 C ATOM 453 CG LYS A 32 -4.347 -20.858 -8.024 1.00 0.00 C ATOM 454 CD LYS A 32 -3.438 -22.064 -7.689 1.00 0.00 C ATOM 455 CE LYS A 32 -2.467 -22.422 -8.821 1.00 0.00 C ATOM 456 NZ LYS A 32 -1.511 -23.469 -8.402 1.00 0.00 N ATOM 0 H LYS A 32 -2.515 -17.385 -8.807 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.159 -18.246 -9.009 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -3.135 -19.655 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -2.703 -19.494 -7.666 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -5.010 -20.665 -7.180 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -4.979 -21.112 -8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -2.868 -21.841 -6.787 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.062 -22.930 -7.467 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.029 -22.767 -9.689 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.921 -21.531 -9.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -0.869 -23.688 -9.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.958 -23.129 -7.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.033 -24.327 -8.132 1.00 0.00 H new ATOM 470 N ALA A 33 -4.137 -17.719 -5.893 1.00 0.00 N ATOM 471 CA ALA A 33 -4.508 -17.612 -4.469 1.00 0.00 C ATOM 472 C ALA A 33 -5.718 -16.680 -4.243 1.00 0.00 C ATOM 473 O ALA A 33 -6.636 -17.027 -3.496 1.00 0.00 O ATOM 474 CB ALA A 33 -3.297 -17.133 -3.654 1.00 0.00 C ATOM 0 H ALA A 33 -3.168 -17.459 -6.076 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.809 -18.603 -4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.574 -17.055 -2.603 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.480 -17.847 -3.762 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -2.976 -16.157 -4.018 1.00 0.00 H new ATOM 480 N CYS A 34 -5.698 -15.504 -4.916 1.00 0.00 N ATOM 481 CA CYS A 34 -6.786 -14.503 -4.827 1.00 0.00 C ATOM 482 C CYS A 34 -8.110 -15.087 -5.341 1.00 0.00 C ATOM 483 O CYS A 34 -9.099 -15.111 -4.612 1.00 0.00 O ATOM 484 CB CYS A 34 -6.445 -13.193 -5.601 1.00 0.00 C ATOM 485 SG CYS A 34 -5.312 -12.065 -4.726 1.00 0.00 S ATOM 0 H CYS A 34 -4.933 -15.225 -5.531 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.894 -14.247 -3.773 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.002 -13.459 -6.561 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.372 -12.661 -5.814 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.451 -11.576 -5.568 1.00 0.00 H new ATOM 490 N ILE A 35 -8.096 -15.603 -6.587 1.00 0.00 N ATOM 491 CA ILE A 35 -9.321 -16.053 -7.281 1.00 0.00 C ATOM 492 C ILE A 35 -9.866 -17.372 -6.685 1.00 0.00 C ATOM 493 O ILE A 35 -11.073 -17.610 -6.703 1.00 0.00 O ATOM 494 CB ILE A 35 -9.090 -16.176 -8.839 1.00 0.00 C ATOM 495 CG1 ILE A 35 -10.425 -16.503 -9.599 1.00 0.00 C ATOM 496 CG2 ILE A 35 -7.985 -17.209 -9.177 1.00 0.00 C ATOM 497 CD1 ILE A 35 -11.531 -15.469 -9.416 1.00 0.00 C ATOM 0 H ILE A 35 -7.244 -15.719 -7.136 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.081 -15.288 -7.121 1.00 0.00 H new ATOM 0 HB ILE A 35 -8.744 -15.202 -9.186 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -10.208 -16.598 -10.663 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.792 -17.472 -9.260 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.857 -17.264 -10.258 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.047 -16.902 -8.715 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.274 -18.188 -8.796 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -12.414 -15.777 -9.976 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -11.782 -15.388 -8.358 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.189 -14.501 -9.783 1.00 0.00 H new ATOM 509 N ASN A 36 -8.965 -18.197 -6.116 1.00 0.00 N ATOM 510 CA ASN A 36 -9.335 -19.484 -5.473 1.00 0.00 C ATOM 511 C ASN A 36 -10.179 -19.199 -4.215 1.00 0.00 C ATOM 512 O ASN A 36 -11.284 -19.731 -4.055 1.00 0.00 O ATOM 513 CB ASN A 36 -8.043 -20.281 -5.108 1.00 0.00 C ATOM 514 CG ASN A 36 -8.266 -21.735 -4.638 1.00 0.00 C ATOM 515 OD1 ASN A 36 -9.294 -22.088 -4.058 1.00 0.00 O ATOM 516 ND2 ASN A 36 -7.283 -22.595 -4.877 1.00 0.00 N ATOM 0 H ASN A 36 -7.965 -17.996 -6.086 1.00 0.00 H new ATOM 0 HA ASN A 36 -9.926 -20.088 -6.162 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -7.389 -20.296 -5.980 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.515 -19.741 -4.322 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.372 -23.566 -4.579 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -6.439 -22.284 -5.359 1.00 0.00 H new ATOM 523 N GLN A 37 -9.636 -18.319 -3.355 1.00 0.00 N ATOM 524 CA GLN A 37 -10.290 -17.866 -2.118 1.00 0.00 C ATOM 525 C GLN A 37 -11.513 -16.973 -2.419 1.00 0.00 C ATOM 526 O GLN A 37 -12.453 -16.905 -1.618 1.00 0.00 O ATOM 527 CB GLN A 37 -9.251 -17.122 -1.240 1.00 0.00 C ATOM 528 CG GLN A 37 -8.110 -18.035 -0.719 1.00 0.00 C ATOM 529 CD GLN A 37 -7.031 -17.308 0.097 1.00 0.00 C ATOM 530 OE1 GLN A 37 -5.857 -17.691 0.071 1.00 0.00 O ATOM 531 NE2 GLN A 37 -7.407 -16.288 0.867 1.00 0.00 N ATOM 0 H GLN A 37 -8.719 -17.898 -3.503 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.663 -18.734 -1.575 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.817 -16.306 -1.818 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.762 -16.672 -0.389 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.545 -18.822 -0.102 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -7.636 -18.523 -1.570 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.381 -15.987 0.874 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.720 -15.808 1.449 1.00 0.00 H new ATOM 540 N HIS A 38 -11.490 -16.307 -3.587 1.00 0.00 N ATOM 541 CA HIS A 38 -12.588 -15.437 -4.044 1.00 0.00 C ATOM 542 C HIS A 38 -13.804 -16.283 -4.442 1.00 0.00 C ATOM 543 O HIS A 38 -14.926 -15.940 -4.094 1.00 0.00 O ATOM 544 CB HIS A 38 -12.115 -14.557 -5.228 1.00 0.00 C ATOM 545 CG HIS A 38 -13.110 -13.526 -5.710 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.134 -12.252 -5.187 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.048 -13.614 -6.685 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.069 -11.605 -5.850 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.649 -12.387 -6.765 1.00 0.00 N ATOM 0 H HIS A 38 -10.709 -16.357 -4.241 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.883 -14.779 -3.226 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.200 -14.043 -4.933 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -11.860 -15.209 -6.063 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.547 -11.885 -4.438 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.277 -14.484 -7.283 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.334 -10.572 -5.676 1.00 0.00 H new ATOM 557 N LEU A 39 -13.556 -17.418 -5.134 1.00 0.00 N ATOM 558 CA LEU A 39 -14.629 -18.333 -5.610 1.00 0.00 C ATOM 559 C LEU A 39 -15.233 -19.181 -4.466 1.00 0.00 C ATOM 560 O LEU A 39 -16.132 -19.996 -4.703 1.00 0.00 O ATOM 561 CB LEU A 39 -14.097 -19.230 -6.765 1.00 0.00 C ATOM 562 CG LEU A 39 -13.797 -18.476 -8.109 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.115 -19.399 -9.145 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.081 -17.822 -8.691 1.00 0.00 C ATOM 0 H LEU A 39 -12.615 -17.728 -5.379 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.442 -17.716 -5.994 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.184 -19.722 -6.431 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -14.828 -20.014 -6.962 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.094 -17.675 -7.879 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -12.924 -18.840 -10.061 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.172 -19.765 -8.740 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -13.768 -20.244 -9.365 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.838 -17.308 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -15.826 -18.594 -8.886 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.481 -17.105 -7.974 1.00 0.00 H new ATOM 576 N MET A 40 -14.730 -18.983 -3.238 1.00 0.00 N ATOM 577 CA MET A 40 -15.366 -19.490 -2.006 1.00 0.00 C ATOM 578 C MET A 40 -16.524 -18.549 -1.604 1.00 0.00 C ATOM 579 O MET A 40 -17.566 -18.994 -1.109 1.00 0.00 O ATOM 580 CB MET A 40 -14.322 -19.570 -0.854 1.00 0.00 C ATOM 581 CG MET A 40 -13.098 -20.449 -1.161 1.00 0.00 C ATOM 582 SD MET A 40 -11.825 -20.383 0.126 1.00 0.00 S ATOM 583 CE MET A 40 -12.650 -21.156 1.515 1.00 0.00 C ATOM 0 H MET A 40 -13.868 -18.465 -3.068 1.00 0.00 H new ATOM 0 HA MET A 40 -15.757 -20.491 -2.190 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.980 -18.562 -0.620 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.814 -19.954 0.039 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.424 -21.482 -1.287 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.662 -20.134 -2.109 1.00 0.00 H new ATOM 0 HE1 MET A 40 -11.932 -21.324 2.317 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.448 -20.505 1.873 1.00 0.00 H new ATOM 0 HE3 MET A 40 -13.073 -22.110 1.202 1.00 0.00 H new ATOM 593 N ASN A 41 -16.316 -17.238 -1.844 1.00 0.00 N ATOM 594 CA ASN A 41 -17.237 -16.159 -1.419 1.00 0.00 C ATOM 595 C ASN A 41 -18.020 -15.591 -2.627 1.00 0.00 C ATOM 596 O ASN A 41 -19.219 -15.868 -2.788 1.00 0.00 O ATOM 597 CB ASN A 41 -16.420 -15.038 -0.704 1.00 0.00 C ATOM 598 CG ASN A 41 -17.245 -13.833 -0.225 1.00 0.00 C ATOM 599 OD1 ASN A 41 -16.770 -12.696 -0.256 1.00 0.00 O ATOM 600 ND2 ASN A 41 -18.459 -14.064 0.257 1.00 0.00 N ATOM 0 H ASN A 41 -15.496 -16.893 -2.343 1.00 0.00 H new ATOM 0 HA ASN A 41 -17.969 -16.567 -0.722 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.910 -15.474 0.155 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -15.648 -14.682 -1.386 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -19.022 -13.291 0.613 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -18.830 -15.014 0.272 1.00 0.00 H new ATOM 607 N ASN A 42 -17.321 -14.809 -3.474 1.00 0.00 N ATOM 608 CA ASN A 42 -17.908 -14.102 -4.636 1.00 0.00 C ATOM 609 C ASN A 42 -17.566 -14.837 -5.953 1.00 0.00 C ATOM 610 O ASN A 42 -17.087 -15.975 -5.933 1.00 0.00 O ATOM 611 CB ASN A 42 -17.362 -12.643 -4.678 1.00 0.00 C ATOM 612 CG ASN A 42 -17.675 -11.824 -3.425 1.00 0.00 C ATOM 613 OD1 ASN A 42 -18.719 -11.995 -2.791 1.00 0.00 O ATOM 614 ND2 ASN A 42 -16.763 -10.942 -3.040 1.00 0.00 N ATOM 0 H ASN A 42 -16.319 -14.647 -3.371 1.00 0.00 H new ATOM 0 HA ASN A 42 -18.993 -14.084 -4.530 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -16.282 -12.675 -4.818 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -17.781 -12.134 -5.546 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -16.916 -10.384 -2.200 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -15.909 -10.822 -3.584 1.00 0.00 H new ATOM 621 N LYS A 43 -17.835 -14.175 -7.094 1.00 0.00 N ATOM 622 CA LYS A 43 -17.500 -14.694 -8.439 1.00 0.00 C ATOM 623 C LYS A 43 -17.237 -13.518 -9.404 1.00 0.00 C ATOM 624 O LYS A 43 -17.327 -13.667 -10.624 1.00 0.00 O ATOM 625 CB LYS A 43 -18.661 -15.602 -8.955 1.00 0.00 C ATOM 626 CG LYS A 43 -20.046 -14.912 -8.978 1.00 0.00 C ATOM 627 CD LYS A 43 -21.159 -15.830 -9.535 1.00 0.00 C ATOM 628 CE LYS A 43 -22.539 -15.149 -9.558 1.00 0.00 C ATOM 629 NZ LYS A 43 -23.592 -16.050 -10.089 1.00 0.00 N ATOM 0 H LYS A 43 -18.292 -13.263 -7.112 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.593 -15.296 -8.386 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -18.421 -15.942 -9.962 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.720 -16.489 -8.325 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -20.309 -14.600 -7.967 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.988 -14.009 -9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.895 -16.140 -10.546 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.215 -16.734 -8.929 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -22.805 -14.834 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -22.489 -14.248 -10.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -24.506 -15.554 -10.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -23.351 -16.330 -11.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -23.658 -16.898 -9.490 1.00 0.00 H new ATOM 643 N ASP A 44 -16.891 -12.348 -8.832 1.00 0.00 N ATOM 644 CA ASP A 44 -16.724 -11.082 -9.582 1.00 0.00 C ATOM 645 C ASP A 44 -15.251 -10.798 -9.916 1.00 0.00 C ATOM 646 O ASP A 44 -14.333 -11.385 -9.344 1.00 0.00 O ATOM 647 CB ASP A 44 -17.338 -9.920 -8.768 1.00 0.00 C ATOM 648 CG ASP A 44 -18.826 -10.162 -8.478 1.00 0.00 C ATOM 649 OD1 ASP A 44 -19.137 -10.848 -7.477 1.00 0.00 O ATOM 650 OD2 ASP A 44 -19.683 -9.701 -9.266 1.00 0.00 O ATOM 0 H ASP A 44 -16.718 -12.251 -7.831 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.247 -11.177 -10.533 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.797 -9.806 -7.829 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.220 -8.987 -9.318 1.00 0.00 H new ATOM 655 N CYS A 45 -15.039 -9.854 -10.838 1.00 0.00 N ATOM 656 CA CYS A 45 -13.715 -9.556 -11.428 1.00 0.00 C ATOM 657 C CYS A 45 -12.970 -8.450 -10.644 1.00 0.00 C ATOM 658 O CYS A 45 -12.284 -7.601 -11.242 1.00 0.00 O ATOM 659 CB CYS A 45 -13.932 -9.182 -12.910 1.00 0.00 C ATOM 660 SG CYS A 45 -12.437 -8.841 -13.861 1.00 0.00 S ATOM 0 H CYS A 45 -15.786 -9.264 -11.205 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.072 -10.434 -11.365 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.471 -9.996 -13.395 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.576 -8.303 -12.953 1.00 0.00 H new ATOM 0 HG CYS A 45 -12.763 -8.375 -15.030 1.00 0.00 H new ATOM 665 N PHE A 46 -13.099 -8.508 -9.295 1.00 0.00 N ATOM 666 CA PHE A 46 -12.359 -7.668 -8.329 1.00 0.00 C ATOM 667 C PHE A 46 -12.559 -6.140 -8.566 1.00 0.00 C ATOM 668 O PHE A 46 -13.464 -5.532 -7.981 1.00 0.00 O ATOM 669 CB PHE A 46 -10.845 -8.053 -8.301 1.00 0.00 C ATOM 670 CG PHE A 46 -10.552 -9.484 -7.832 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.560 -10.554 -8.729 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.251 -9.756 -6.495 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.286 -11.842 -8.306 1.00 0.00 C ATOM 674 CE2 PHE A 46 -9.975 -11.046 -6.077 1.00 0.00 C ATOM 675 CZ PHE A 46 -9.986 -12.084 -6.982 1.00 0.00 C ATOM 0 H PHE A 46 -13.739 -9.159 -8.840 1.00 0.00 H new ATOM 0 HA PHE A 46 -12.784 -7.875 -7.347 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.433 -7.922 -9.302 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.320 -7.357 -7.647 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.784 -10.373 -9.770 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.233 -8.949 -5.778 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.307 -12.658 -9.013 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -9.750 -11.239 -5.038 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.760 -13.088 -6.655 1.00 0.00 H new ATOM 685 N PHE A 47 -11.747 -5.562 -9.478 1.00 0.00 N ATOM 686 CA PHE A 47 -11.594 -4.103 -9.649 1.00 0.00 C ATOM 687 C PHE A 47 -12.778 -3.499 -10.431 1.00 0.00 C ATOM 688 O PHE A 47 -13.507 -2.659 -9.893 1.00 0.00 O ATOM 689 CB PHE A 47 -10.236 -3.810 -10.347 1.00 0.00 C ATOM 690 CG PHE A 47 -9.045 -4.383 -9.566 1.00 0.00 C ATOM 691 CD1 PHE A 47 -8.566 -3.741 -8.419 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.428 -5.577 -9.950 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.515 -4.273 -7.690 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.372 -6.104 -9.220 1.00 0.00 C ATOM 695 CZ PHE A 47 -6.919 -5.450 -8.093 1.00 0.00 C ATOM 0 H PHE A 47 -11.173 -6.104 -10.124 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.596 -3.627 -8.668 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.247 -4.234 -11.351 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.111 -2.733 -10.457 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.022 -2.817 -8.097 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -8.779 -6.098 -10.829 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.162 -3.765 -6.805 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -6.905 -7.026 -9.534 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.097 -5.860 -7.525 1.00 0.00 H new ATOM 705 N CYS A 48 -12.996 -3.949 -11.692 1.00 0.00 N ATOM 706 CA CYS A 48 -14.130 -3.447 -12.520 1.00 0.00 C ATOM 707 C CYS A 48 -15.473 -3.993 -12.000 1.00 0.00 C ATOM 708 O CYS A 48 -16.527 -3.428 -12.292 1.00 0.00 O ATOM 709 CB CYS A 48 -13.965 -3.819 -14.011 1.00 0.00 C ATOM 710 SG CYS A 48 -14.323 -5.558 -14.386 1.00 0.00 S ATOM 0 H CYS A 48 -12.414 -4.647 -12.155 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.124 -2.360 -12.436 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.624 -3.187 -14.607 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -12.944 -3.595 -14.319 1.00 0.00 H new ATOM 0 HG CYS A 48 -13.311 -6.295 -14.034 1.00 0.00 H new ATOM 715 N LYS A 49 -15.398 -5.116 -11.243 1.00 0.00 N ATOM 716 CA LYS A 49 -16.548 -5.754 -10.560 1.00 0.00 C ATOM 717 C LYS A 49 -17.615 -6.227 -11.588 1.00 0.00 C ATOM 718 O LYS A 49 -18.821 -6.110 -11.371 1.00 0.00 O ATOM 719 CB LYS A 49 -17.123 -4.784 -9.452 1.00 0.00 C ATOM 720 CG LYS A 49 -17.699 -5.450 -8.164 1.00 0.00 C ATOM 721 CD LYS A 49 -19.034 -6.194 -8.381 1.00 0.00 C ATOM 722 CE LYS A 49 -19.614 -6.809 -7.096 1.00 0.00 C ATOM 723 NZ LYS A 49 -20.867 -7.560 -7.384 1.00 0.00 N ATOM 0 H LYS A 49 -14.520 -5.611 -11.088 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.214 -6.656 -10.047 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.329 -4.100 -9.154 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -17.911 -4.181 -9.904 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -16.964 -6.153 -7.772 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -17.843 -4.682 -7.404 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.762 -5.501 -8.802 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -18.884 -6.985 -9.116 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.880 -7.477 -6.645 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -19.816 -6.021 -6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.203 -8.022 -6.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.595 -6.902 -7.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.680 -8.282 -8.109 1.00 0.00 H new ATOM 737 N THR A 50 -17.137 -6.759 -12.723 1.00 0.00 N ATOM 738 CA THR A 50 -17.986 -7.504 -13.666 1.00 0.00 C ATOM 739 C THR A 50 -17.985 -8.982 -13.239 1.00 0.00 C ATOM 740 O THR A 50 -16.934 -9.503 -12.884 1.00 0.00 O ATOM 741 CB THR A 50 -17.462 -7.365 -15.134 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.268 -5.974 -15.445 1.00 0.00 O ATOM 743 CG2 THR A 50 -18.434 -7.990 -16.157 1.00 0.00 C ATOM 0 H THR A 50 -16.161 -6.687 -13.011 1.00 0.00 H new ATOM 0 HA THR A 50 -18.998 -7.099 -13.644 1.00 0.00 H new ATOM 0 HB THR A 50 -16.517 -7.904 -15.201 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.377 -5.694 -15.148 1.00 0.00 H new ATOM 0 HG21 THR A 50 -18.030 -7.871 -17.162 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.558 -9.051 -15.940 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.401 -7.491 -16.093 1.00 0.00 H new ATOM 751 N THR A 51 -19.143 -9.646 -13.254 1.00 0.00 N ATOM 752 CA THR A 51 -19.244 -11.053 -12.836 1.00 0.00 C ATOM 753 C THR A 51 -18.507 -11.973 -13.848 1.00 0.00 C ATOM 754 O THR A 51 -18.811 -11.955 -15.047 1.00 0.00 O ATOM 755 CB THR A 51 -20.736 -11.477 -12.681 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.412 -10.541 -11.819 1.00 0.00 O ATOM 757 CG2 THR A 51 -20.875 -12.892 -12.093 1.00 0.00 C ATOM 0 H THR A 51 -20.028 -9.234 -13.551 1.00 0.00 H new ATOM 0 HA THR A 51 -18.763 -11.160 -11.864 1.00 0.00 H new ATOM 0 HB THR A 51 -21.184 -11.479 -13.674 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.830 -10.311 -11.065 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.931 -13.146 -12.002 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.384 -13.609 -12.751 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.408 -12.924 -11.109 1.00 0.00 H new ATOM 765 N ILE A 52 -17.500 -12.719 -13.349 1.00 0.00 N ATOM 766 CA ILE A 52 -16.679 -13.647 -14.162 1.00 0.00 C ATOM 767 C ILE A 52 -17.539 -14.831 -14.645 1.00 0.00 C ATOM 768 O ILE A 52 -18.254 -15.451 -13.846 1.00 0.00 O ATOM 769 CB ILE A 52 -15.458 -14.213 -13.331 1.00 0.00 C ATOM 770 CG1 ILE A 52 -14.623 -13.056 -12.692 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.551 -15.134 -14.193 1.00 0.00 C ATOM 772 CD1 ILE A 52 -13.552 -13.520 -11.718 1.00 0.00 C ATOM 0 H ILE A 52 -17.230 -12.696 -12.366 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.297 -13.086 -15.015 1.00 0.00 H new ATOM 0 HB ILE A 52 -15.873 -14.819 -12.526 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -14.149 -12.483 -13.489 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -15.301 -12.379 -12.173 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -13.724 -15.502 -13.586 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -15.135 -15.978 -14.561 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.157 -14.569 -15.038 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.021 -12.655 -11.322 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -14.018 -14.066 -10.898 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -12.848 -14.172 -12.235 1.00 0.00 H new ATOM 784 N VAL A 53 -17.464 -15.139 -15.950 1.00 0.00 N ATOM 785 CA VAL A 53 -18.147 -16.307 -16.537 1.00 0.00 C ATOM 786 C VAL A 53 -17.247 -17.550 -16.433 1.00 0.00 C ATOM 787 O VAL A 53 -17.728 -18.642 -16.120 1.00 0.00 O ATOM 788 CB VAL A 53 -18.549 -16.039 -18.031 1.00 0.00 C ATOM 789 CG1 VAL A 53 -19.201 -17.281 -18.695 1.00 0.00 C ATOM 790 CG2 VAL A 53 -19.482 -14.808 -18.114 1.00 0.00 C ATOM 0 H VAL A 53 -16.932 -14.590 -16.626 1.00 0.00 H new ATOM 0 HA VAL A 53 -19.064 -16.486 -15.975 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.637 -15.831 -18.590 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -19.462 -17.047 -19.727 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -18.498 -18.114 -18.678 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -20.102 -17.556 -18.147 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -19.756 -14.629 -19.154 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -20.382 -14.994 -17.528 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.966 -13.933 -17.719 1.00 0.00 H new ATOM 800 N SER A 54 -15.932 -17.369 -16.681 1.00 0.00 N ATOM 801 CA SER A 54 -14.954 -18.476 -16.654 1.00 0.00 C ATOM 802 C SER A 54 -13.560 -17.960 -16.282 1.00 0.00 C ATOM 803 O SER A 54 -13.151 -16.880 -16.709 1.00 0.00 O ATOM 804 CB SER A 54 -14.911 -19.183 -18.030 1.00 0.00 C ATOM 805 OG SER A 54 -14.079 -20.339 -18.016 1.00 0.00 O ATOM 0 H SER A 54 -15.523 -16.462 -16.903 1.00 0.00 H new ATOM 0 HA SER A 54 -15.268 -19.194 -15.896 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.922 -19.469 -18.321 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.547 -18.485 -18.784 1.00 0.00 H new ATOM 0 HG SER A 54 -14.082 -20.755 -18.903 1.00 0.00 H new ATOM 811 N VAL A 55 -12.840 -18.746 -15.465 1.00 0.00 N ATOM 812 CA VAL A 55 -11.450 -18.460 -15.071 1.00 0.00 C ATOM 813 C VAL A 55 -10.515 -19.423 -15.823 1.00 0.00 C ATOM 814 O VAL A 55 -10.741 -20.640 -15.825 1.00 0.00 O ATOM 815 CB VAL A 55 -11.246 -18.609 -13.515 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.816 -18.200 -13.088 1.00 0.00 C ATOM 817 CG2 VAL A 55 -12.310 -17.802 -12.731 1.00 0.00 C ATOM 0 H VAL A 55 -13.209 -19.605 -15.056 1.00 0.00 H new ATOM 0 HA VAL A 55 -11.217 -17.428 -15.331 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.375 -19.663 -13.270 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.711 -18.315 -12.009 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.089 -18.836 -13.593 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.638 -17.160 -13.361 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -12.144 -17.924 -11.661 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -12.232 -16.747 -12.992 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -13.305 -18.166 -12.987 1.00 0.00 H new ATOM 827 N GLU A 56 -9.488 -18.863 -16.472 1.00 0.00 N ATOM 828 CA GLU A 56 -8.456 -19.613 -17.217 1.00 0.00 C ATOM 829 C GLU A 56 -7.082 -19.359 -16.587 1.00 0.00 C ATOM 830 O GLU A 56 -6.890 -18.348 -15.909 1.00 0.00 O ATOM 831 CB GLU A 56 -8.453 -19.175 -18.713 1.00 0.00 C ATOM 832 CG GLU A 56 -9.736 -19.514 -19.497 1.00 0.00 C ATOM 833 CD GLU A 56 -9.931 -21.022 -19.724 1.00 0.00 C ATOM 834 OE1 GLU A 56 -9.225 -21.593 -20.590 1.00 0.00 O ATOM 835 OE2 GLU A 56 -10.779 -21.644 -19.048 1.00 0.00 O ATOM 0 H GLU A 56 -9.343 -17.854 -16.498 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.679 -20.679 -17.167 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.291 -18.098 -18.760 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.606 -19.646 -19.212 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -10.598 -19.121 -18.957 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -9.707 -19.009 -20.463 1.00 0.00 H new ATOM 842 N ASP A 57 -6.131 -20.281 -16.810 1.00 0.00 N ATOM 843 CA ASP A 57 -4.731 -20.120 -16.361 1.00 0.00 C ATOM 844 C ASP A 57 -3.986 -19.244 -17.380 1.00 0.00 C ATOM 845 O ASP A 57 -3.751 -19.673 -18.516 1.00 0.00 O ATOM 846 CB ASP A 57 -4.022 -21.497 -16.209 1.00 0.00 C ATOM 847 CG ASP A 57 -4.651 -22.394 -15.127 1.00 0.00 C ATOM 848 OD1 ASP A 57 -5.615 -23.127 -15.438 1.00 0.00 O ATOM 849 OD2 ASP A 57 -4.188 -22.374 -13.967 1.00 0.00 O ATOM 0 H ASP A 57 -6.306 -21.156 -17.304 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.724 -19.643 -15.381 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.051 -22.019 -17.165 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.972 -21.332 -15.968 1.00 0.00 H new ATOM 854 N TRP A 58 -3.664 -18.000 -16.992 1.00 0.00 N ATOM 855 CA TRP A 58 -2.920 -17.065 -17.847 1.00 0.00 C ATOM 856 C TRP A 58 -1.414 -17.321 -17.707 1.00 0.00 C ATOM 857 O TRP A 58 -0.815 -17.016 -16.667 1.00 0.00 O ATOM 858 CB TRP A 58 -3.256 -15.605 -17.474 1.00 0.00 C ATOM 859 CG TRP A 58 -2.636 -14.577 -18.404 1.00 0.00 C ATOM 860 CD1 TRP A 58 -3.055 -14.258 -19.668 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.495 -13.736 -18.143 1.00 0.00 C ATOM 862 NE1 TRP A 58 -2.249 -13.283 -20.200 1.00 0.00 N ATOM 863 CE2 TRP A 58 -1.294 -12.940 -19.282 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.638 -13.574 -17.050 1.00 0.00 C ATOM 865 CZ2 TRP A 58 -0.266 -12.011 -19.368 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.382 -12.649 -17.133 1.00 0.00 C ATOM 867 CH2 TRP A 58 0.556 -11.869 -18.283 1.00 0.00 C ATOM 0 H TRP A 58 -3.912 -17.616 -16.080 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.212 -17.227 -18.885 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.339 -15.479 -17.478 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.916 -15.412 -16.456 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.897 -14.708 -20.173 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -2.346 -12.878 -21.131 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.773 -14.164 -16.155 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.120 -11.421 -20.260 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.056 -12.524 -16.299 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.354 -11.142 -18.314 1.00 0.00 H new