USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=19 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 162:sc= 0.11 USER MOD Set 1.2: A 28 HIS : no HD1:sc= -0.3 X(o=-0.9,f=-1.1) USER MOD Set 1.3: A 45 CYS SG : rot -37:sc= -3.51! USER MOD Set 1.4: A 48 CYS SG : rot -75:sc= 1.55 USER MOD Set 1.5: A 50 THR OG1 : rot 110:sc= 1.25 USER MOD Set 2.1: A 32 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00584) USER MOD Set 2.2: A 36 ASN : amide:sc= -0.103 X(o=-0.1,f=0) USER MOD Set 3.1: A 11 CYS SG : rot -135:sc= 0.648 USER MOD Set 3.2: A 14 CYS SG : rot 143:sc= 0.213 USER MOD Set 3.3: A 31 CYS SG : rot -40:sc= -0.469 USER MOD Set 3.4: A 34 CYS SG : rot 142:sc= -0.391 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=-0.0062) USER MOD Single : A 20 SER OG : rot -31:sc= 0.0536 USER MOD Single : A 24 GLN : amide:sc= 0.232 X(o=0.23,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 156:sc= 0.946 (180deg=0.61) USER MOD Single : A 30 SER OG : rot 77:sc= 0.194 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 HIS : no HE2:sc= -0.885 K(o=-0.88,f=-4.4!) USER MOD Single : A 40 MET CE :methyl -145:sc= -0.16 (180deg=-1.18) USER MOD Single : A 41 ASN : amide:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ -112:sc= -0.0123 (180deg=-0.506) USER MOD Single : A 49 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.032) USER MOD Single : A 51 THR OG1 : rot -30:sc= 0.0735 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 10 3.232 -8.715 -11.870 1.00 0.00 N ATOM 130 CA LEU A 10 2.992 -9.052 -10.455 1.00 0.00 C ATOM 131 C LEU A 10 1.500 -8.914 -10.126 1.00 0.00 C ATOM 132 O LEU A 10 0.839 -7.985 -10.617 1.00 0.00 O ATOM 133 CB LEU A 10 3.857 -8.149 -9.537 1.00 0.00 C ATOM 134 CG LEU A 10 5.408 -8.253 -9.757 1.00 0.00 C ATOM 135 CD1 LEU A 10 6.169 -7.282 -8.825 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.916 -9.717 -9.573 1.00 0.00 C ATOM 0 HA LEU A 10 3.282 -10.088 -10.278 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.555 -7.112 -9.687 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.637 -8.399 -8.499 1.00 0.00 H new ATOM 0 HG LEU A 10 5.612 -7.961 -10.787 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.241 -7.376 -8.999 1.00 0.00 H new ATOM 0 HD12 LEU A 10 5.856 -6.259 -9.032 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.948 -7.526 -7.786 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.994 -9.751 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.688 -10.057 -8.563 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.422 -10.367 -10.295 1.00 0.00 H new ATOM 148 N CYS A 11 0.979 -9.865 -9.320 1.00 0.00 N ATOM 149 CA CYS A 11 -0.424 -9.873 -8.874 1.00 0.00 C ATOM 150 C CYS A 11 -0.743 -8.557 -8.123 1.00 0.00 C ATOM 151 O CYS A 11 -0.178 -8.338 -7.057 1.00 0.00 O ATOM 152 CB CYS A 11 -0.690 -11.084 -7.945 1.00 0.00 C ATOM 153 SG CYS A 11 -2.424 -11.224 -7.376 1.00 0.00 S ATOM 0 H CYS A 11 1.524 -10.649 -8.962 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.068 -9.956 -9.749 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.417 -11.999 -8.471 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.038 -11.010 -7.074 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.443 -11.473 -6.100 1.00 0.00 H new ATOM 158 N PRO A 12 -1.656 -7.679 -8.652 1.00 0.00 N ATOM 159 CA PRO A 12 -1.917 -6.307 -8.084 1.00 0.00 C ATOM 160 C PRO A 12 -2.354 -6.312 -6.592 1.00 0.00 C ATOM 161 O PRO A 12 -2.255 -5.293 -5.908 1.00 0.00 O ATOM 162 CB PRO A 12 -3.034 -5.742 -9.013 1.00 0.00 C ATOM 163 CG PRO A 12 -3.638 -6.952 -9.671 1.00 0.00 C ATOM 164 CD PRO A 12 -2.503 -7.929 -9.853 1.00 0.00 C ATOM 0 HA PRO A 12 -1.011 -5.702 -8.070 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.780 -5.189 -8.443 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.623 -5.054 -9.752 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.427 -7.380 -9.053 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.088 -6.692 -10.629 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.858 -8.959 -9.890 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -1.957 -7.746 -10.778 1.00 0.00 H new ATOM 172 N ILE A 13 -2.806 -7.483 -6.111 1.00 0.00 N ATOM 173 CA ILE A 13 -3.238 -7.689 -4.715 1.00 0.00 C ATOM 174 C ILE A 13 -2.060 -8.147 -3.813 1.00 0.00 C ATOM 175 O ILE A 13 -1.906 -7.665 -2.694 1.00 0.00 O ATOM 176 CB ILE A 13 -4.403 -8.749 -4.671 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.590 -8.299 -5.599 1.00 0.00 C ATOM 178 CG2 ILE A 13 -4.893 -9.003 -3.217 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.772 -9.259 -5.661 1.00 0.00 C ATOM 0 H ILE A 13 -2.883 -8.322 -6.685 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.597 -6.736 -4.327 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.010 -9.694 -5.047 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -5.949 -7.329 -5.256 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.205 -8.157 -6.609 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.696 -9.739 -3.227 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.065 -9.377 -2.614 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.261 -8.071 -2.789 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.534 -8.855 -6.327 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.436 -10.225 -6.037 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.192 -9.384 -4.663 1.00 0.00 H new ATOM 191 N CYS A 14 -1.225 -9.080 -4.332 1.00 0.00 N ATOM 192 CA CYS A 14 -0.163 -9.752 -3.537 1.00 0.00 C ATOM 193 C CYS A 14 1.185 -9.040 -3.714 1.00 0.00 C ATOM 194 O CYS A 14 1.861 -8.715 -2.731 1.00 0.00 O ATOM 195 CB CYS A 14 -0.045 -11.229 -3.955 1.00 0.00 C ATOM 196 SG CYS A 14 -1.562 -12.199 -3.693 1.00 0.00 S ATOM 0 H CYS A 14 -1.266 -9.387 -5.304 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.438 -9.702 -2.484 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.226 -11.276 -5.010 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.769 -11.690 -3.396 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.701 -13.057 -4.660 1.00 0.00 H new ATOM 201 N TYR A 15 1.570 -8.878 -5.004 1.00 0.00 N ATOM 202 CA TYR A 15 2.772 -8.140 -5.483 1.00 0.00 C ATOM 203 C TYR A 15 4.069 -8.974 -5.363 1.00 0.00 C ATOM 204 O TYR A 15 4.899 -8.966 -6.272 1.00 0.00 O ATOM 205 CB TYR A 15 2.923 -6.748 -4.798 1.00 0.00 C ATOM 206 CG TYR A 15 3.814 -5.760 -5.562 1.00 0.00 C ATOM 207 CD1 TYR A 15 3.311 -5.071 -6.667 1.00 0.00 C ATOM 208 CD2 TYR A 15 5.140 -5.509 -5.185 1.00 0.00 C ATOM 209 CE1 TYR A 15 4.085 -4.170 -7.362 1.00 0.00 C ATOM 210 CE2 TYR A 15 5.916 -4.609 -5.884 1.00 0.00 C ATOM 211 CZ TYR A 15 5.382 -3.942 -6.968 1.00 0.00 C ATOM 212 OH TYR A 15 6.151 -3.036 -7.662 1.00 0.00 O ATOM 0 H TYR A 15 1.031 -9.274 -5.774 1.00 0.00 H new ATOM 0 HA TYR A 15 2.609 -7.961 -6.546 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.934 -6.307 -4.676 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.334 -6.891 -3.798 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.294 -5.249 -6.983 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.560 -6.027 -4.336 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.676 -3.645 -8.212 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.938 -4.427 -5.585 1.00 0.00 H new ATOM 0 HH TYR A 15 7.043 -2.987 -7.259 1.00 0.00 H new ATOM 222 N ALA A 16 4.221 -9.695 -4.244 1.00 0.00 N ATOM 223 CA ALA A 16 5.402 -10.545 -3.969 1.00 0.00 C ATOM 224 C ALA A 16 5.446 -11.796 -4.882 1.00 0.00 C ATOM 225 O ALA A 16 6.470 -12.474 -4.962 1.00 0.00 O ATOM 226 CB ALA A 16 5.398 -10.965 -2.492 1.00 0.00 C ATOM 0 H ALA A 16 3.528 -9.709 -3.496 1.00 0.00 H new ATOM 0 HA ALA A 16 6.295 -9.958 -4.185 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.267 -11.591 -2.289 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.435 -10.077 -1.861 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.489 -11.526 -2.276 1.00 0.00 H new ATOM 232 N HIS A 17 4.306 -12.105 -5.538 1.00 0.00 N ATOM 233 CA HIS A 17 4.165 -13.234 -6.480 1.00 0.00 C ATOM 234 C HIS A 17 3.472 -12.719 -7.769 1.00 0.00 C ATOM 235 O HIS A 17 2.706 -11.741 -7.697 1.00 0.00 O ATOM 236 CB HIS A 17 3.336 -14.382 -5.831 1.00 0.00 C ATOM 237 CG HIS A 17 3.932 -14.999 -4.588 1.00 0.00 C ATOM 238 ND1 HIS A 17 3.201 -15.253 -3.452 1.00 0.00 N ATOM 239 CD2 HIS A 17 5.187 -15.416 -4.317 1.00 0.00 C ATOM 240 CE1 HIS A 17 3.978 -15.797 -2.542 1.00 0.00 C ATOM 241 NE2 HIS A 17 5.185 -15.907 -3.040 1.00 0.00 N ATOM 0 H HIS A 17 3.446 -11.568 -5.425 1.00 0.00 H new ATOM 0 HA HIS A 17 5.148 -13.634 -6.729 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.347 -13.996 -5.584 1.00 0.00 H new ATOM 0 HB3 HIS A 17 3.196 -15.168 -6.573 1.00 0.00 H new ATOM 0 HD2 HIS A 17 6.035 -15.370 -4.984 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.673 -16.102 -1.552 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.993 -16.296 -2.554 1.00 0.00 H new ATOM 250 N PRO A 18 3.707 -13.367 -8.963 1.00 0.00 N ATOM 251 CA PRO A 18 3.174 -12.890 -10.263 1.00 0.00 C ATOM 252 C PRO A 18 1.684 -13.243 -10.491 1.00 0.00 C ATOM 253 O PRO A 18 0.940 -13.583 -9.555 1.00 0.00 O ATOM 254 CB PRO A 18 4.096 -13.612 -11.274 1.00 0.00 C ATOM 255 CG PRO A 18 4.379 -14.928 -10.616 1.00 0.00 C ATOM 256 CD PRO A 18 4.519 -14.612 -9.144 1.00 0.00 C ATOM 0 HA PRO A 18 3.182 -11.803 -10.344 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.607 -13.743 -12.239 1.00 0.00 H new ATOM 0 HB3 PRO A 18 5.012 -13.049 -11.454 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.571 -15.638 -10.791 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.290 -15.378 -11.011 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.145 -15.426 -8.523 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.561 -14.453 -8.867 1.00 0.00 H new ATOM 264 N ILE A 19 1.262 -13.087 -11.750 1.00 0.00 N ATOM 265 CA ILE A 19 -0.068 -13.470 -12.240 1.00 0.00 C ATOM 266 C ILE A 19 0.013 -14.862 -12.901 1.00 0.00 C ATOM 267 O ILE A 19 1.023 -15.202 -13.521 1.00 0.00 O ATOM 268 CB ILE A 19 -0.586 -12.403 -13.276 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.887 -11.034 -12.569 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.819 -12.915 -14.065 1.00 0.00 C ATOM 271 CD1 ILE A 19 -1.195 -9.873 -13.509 1.00 0.00 C ATOM 0 H ILE A 19 1.851 -12.680 -12.476 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.767 -13.510 -11.405 1.00 0.00 H new ATOM 0 HB ILE A 19 0.211 -12.239 -14.002 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.733 -11.169 -11.895 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.029 -10.765 -11.953 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.145 -12.149 -14.769 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.551 -13.819 -14.611 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.629 -13.137 -13.370 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.389 -8.973 -12.925 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.343 -9.702 -14.167 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.074 -10.113 -14.108 1.00 0.00 H new ATOM 283 N SER A 20 -1.071 -15.650 -12.767 1.00 0.00 N ATOM 284 CA SER A 20 -1.182 -16.982 -13.392 1.00 0.00 C ATOM 285 C SER A 20 -2.612 -17.256 -13.909 1.00 0.00 C ATOM 286 O SER A 20 -2.810 -18.183 -14.698 1.00 0.00 O ATOM 287 CB SER A 20 -0.758 -18.063 -12.373 1.00 0.00 C ATOM 288 OG SER A 20 -0.725 -19.366 -12.947 1.00 0.00 O ATOM 0 H SER A 20 -1.892 -15.382 -12.224 1.00 0.00 H new ATOM 0 HA SER A 20 -0.518 -17.012 -14.256 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.227 -17.818 -11.977 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.451 -18.057 -11.531 1.00 0.00 H new ATOM 0 HG SER A 20 -1.404 -19.431 -13.650 1.00 0.00 H new ATOM 294 N ALA A 21 -3.601 -16.443 -13.476 1.00 0.00 N ATOM 295 CA ALA A 21 -5.026 -16.660 -13.802 1.00 0.00 C ATOM 296 C ALA A 21 -5.673 -15.363 -14.318 1.00 0.00 C ATOM 297 O ALA A 21 -5.474 -14.294 -13.734 1.00 0.00 O ATOM 298 CB ALA A 21 -5.778 -17.187 -12.559 1.00 0.00 C ATOM 0 H ALA A 21 -3.434 -15.622 -12.894 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.092 -17.406 -14.594 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.827 -17.344 -12.808 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.336 -18.131 -12.239 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.702 -16.459 -11.752 1.00 0.00 H new ATOM 304 N VAL A 22 -6.441 -15.470 -15.419 1.00 0.00 N ATOM 305 CA VAL A 22 -7.201 -14.353 -16.006 1.00 0.00 C ATOM 306 C VAL A 22 -8.711 -14.636 -15.928 1.00 0.00 C ATOM 307 O VAL A 22 -9.162 -15.771 -16.111 1.00 0.00 O ATOM 308 CB VAL A 22 -6.773 -14.065 -17.501 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.949 -15.308 -18.411 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.517 -12.833 -18.080 1.00 0.00 C ATOM 0 H VAL A 22 -6.552 -16.345 -15.931 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.972 -13.461 -15.424 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.709 -13.831 -17.483 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.642 -15.061 -19.427 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -6.333 -16.125 -18.034 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.995 -15.613 -18.412 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.198 -12.665 -19.109 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.592 -13.014 -18.059 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.285 -11.953 -17.480 1.00 0.00 H new ATOM 320 N PHE A 23 -9.466 -13.581 -15.622 1.00 0.00 N ATOM 321 CA PHE A 23 -10.929 -13.591 -15.591 1.00 0.00 C ATOM 322 C PHE A 23 -11.448 -13.341 -17.016 1.00 0.00 C ATOM 323 O PHE A 23 -11.597 -12.187 -17.449 1.00 0.00 O ATOM 324 CB PHE A 23 -11.445 -12.516 -14.584 1.00 0.00 C ATOM 325 CG PHE A 23 -10.689 -12.508 -13.251 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.427 -13.699 -12.570 1.00 0.00 C ATOM 327 CD2 PHE A 23 -10.222 -11.317 -12.691 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.728 -13.696 -11.387 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.527 -11.321 -11.500 1.00 0.00 C ATOM 330 CZ PHE A 23 -9.281 -12.509 -10.852 1.00 0.00 C ATOM 0 H PHE A 23 -9.068 -12.673 -15.383 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.302 -14.557 -15.250 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.363 -11.531 -15.044 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.503 -12.691 -14.390 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.779 -14.635 -12.979 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.407 -10.381 -13.197 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -9.529 -14.626 -10.876 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -9.176 -10.392 -11.076 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.735 -12.511 -9.920 1.00 0.00 H new ATOM 340 N GLN A 24 -11.627 -14.441 -17.753 1.00 0.00 N ATOM 341 CA GLN A 24 -12.055 -14.436 -19.158 1.00 0.00 C ATOM 342 C GLN A 24 -13.598 -14.293 -19.242 1.00 0.00 C ATOM 343 O GLN A 24 -14.305 -14.886 -18.414 1.00 0.00 O ATOM 344 CB GLN A 24 -11.537 -15.749 -19.826 1.00 0.00 C ATOM 345 CG GLN A 24 -11.858 -15.899 -21.323 1.00 0.00 C ATOM 346 CD GLN A 24 -11.179 -17.093 -21.980 1.00 0.00 C ATOM 347 OE1 GLN A 24 -11.712 -18.200 -21.993 1.00 0.00 O ATOM 348 NE2 GLN A 24 -10.002 -16.872 -22.537 1.00 0.00 N ATOM 0 H GLN A 24 -11.476 -15.380 -17.384 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.635 -13.585 -19.695 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.456 -15.800 -19.697 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -11.962 -16.600 -19.294 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -12.937 -15.993 -21.446 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -11.556 -14.990 -21.843 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.590 -15.939 -22.506 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -9.505 -17.634 -22.998 1.00 0.00 H new ATOM 357 N PRO A 25 -14.172 -13.504 -20.223 1.00 0.00 N ATOM 358 CA PRO A 25 -13.444 -12.762 -21.288 1.00 0.00 C ATOM 359 C PRO A 25 -13.209 -11.265 -20.971 1.00 0.00 C ATOM 360 O PRO A 25 -13.144 -10.443 -21.897 1.00 0.00 O ATOM 361 CB PRO A 25 -14.425 -12.950 -22.467 1.00 0.00 C ATOM 362 CG PRO A 25 -15.786 -12.812 -21.831 1.00 0.00 C ATOM 363 CD PRO A 25 -15.637 -13.301 -20.389 1.00 0.00 C ATOM 0 HA PRO A 25 -12.429 -13.124 -21.452 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.268 -12.199 -23.241 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.301 -13.925 -22.938 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.124 -11.776 -21.857 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.528 -13.403 -22.368 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.021 -12.569 -19.678 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.189 -14.226 -20.223 1.00 0.00 H new ATOM 371 N CYS A 26 -13.056 -10.925 -19.678 1.00 0.00 N ATOM 372 CA CYS A 26 -12.877 -9.522 -19.251 1.00 0.00 C ATOM 373 C CYS A 26 -11.464 -8.997 -19.560 1.00 0.00 C ATOM 374 O CYS A 26 -11.307 -7.853 -19.994 1.00 0.00 O ATOM 375 CB CYS A 26 -13.170 -9.335 -17.752 1.00 0.00 C ATOM 376 SG CYS A 26 -13.081 -7.591 -17.258 1.00 0.00 S ATOM 0 H CYS A 26 -13.052 -11.599 -18.912 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.599 -8.943 -19.827 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.161 -9.727 -17.524 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.456 -9.915 -17.167 1.00 0.00 H new ATOM 0 HG CYS A 26 -13.686 -7.431 -16.119 1.00 0.00 H new ATOM 381 N GLY A 27 -10.439 -9.838 -19.335 1.00 0.00 N ATOM 382 CA GLY A 27 -9.044 -9.422 -19.532 1.00 0.00 C ATOM 383 C GLY A 27 -8.435 -8.720 -18.316 1.00 0.00 C ATOM 384 O GLY A 27 -7.493 -7.937 -18.460 1.00 0.00 O ATOM 0 H GLY A 27 -10.551 -10.801 -19.019 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.443 -10.299 -19.773 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -8.991 -8.753 -20.391 1.00 0.00 H new ATOM 388 N HIS A 28 -8.991 -8.985 -17.121 1.00 0.00 N ATOM 389 CA HIS A 28 -8.364 -8.624 -15.827 1.00 0.00 C ATOM 390 C HIS A 28 -7.794 -9.887 -15.205 1.00 0.00 C ATOM 391 O HIS A 28 -8.362 -10.961 -15.385 1.00 0.00 O ATOM 392 CB HIS A 28 -9.371 -7.967 -14.853 1.00 0.00 C ATOM 393 CG HIS A 28 -9.667 -6.525 -15.153 1.00 0.00 C ATOM 394 ND1 HIS A 28 -10.907 -5.994 -14.931 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.830 -5.549 -15.583 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.790 -4.709 -15.223 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.553 -4.397 -15.624 1.00 0.00 N ATOM 0 H HIS A 28 -9.890 -9.456 -17.020 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.578 -7.892 -16.014 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.304 -8.530 -14.878 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -8.980 -8.042 -13.838 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.788 -5.664 -15.843 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.598 -3.996 -15.147 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -9.217 -3.476 -15.905 1.00 0.00 H new ATOM 405 N LYS A 29 -6.688 -9.758 -14.459 1.00 0.00 N ATOM 406 CA LYS A 29 -5.923 -10.911 -13.958 1.00 0.00 C ATOM 407 C LYS A 29 -5.587 -10.778 -12.458 1.00 0.00 C ATOM 408 O LYS A 29 -5.768 -9.718 -11.844 1.00 0.00 O ATOM 409 CB LYS A 29 -4.594 -11.091 -14.750 1.00 0.00 C ATOM 410 CG LYS A 29 -4.699 -11.195 -16.295 1.00 0.00 C ATOM 411 CD LYS A 29 -4.599 -9.831 -17.003 1.00 0.00 C ATOM 412 CE LYS A 29 -4.857 -9.909 -18.515 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.812 -8.573 -19.154 1.00 0.00 N ATOM 0 H LYS A 29 -6.299 -8.856 -14.186 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.561 -11.783 -14.101 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.942 -10.251 -14.511 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -4.101 -11.991 -14.383 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.907 -11.847 -16.663 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.647 -11.665 -16.558 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -5.316 -9.144 -16.554 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -3.607 -9.413 -16.832 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -4.113 -10.557 -18.977 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -5.831 -10.364 -18.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.584 -8.678 -20.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.738 -8.110 -19.055 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.083 -7.992 -18.693 1.00 0.00 H new ATOM 427 N SER A 30 -5.090 -11.898 -11.911 1.00 0.00 N ATOM 428 CA SER A 30 -4.498 -12.007 -10.571 1.00 0.00 C ATOM 429 C SER A 30 -3.819 -13.394 -10.471 1.00 0.00 C ATOM 430 O SER A 30 -3.591 -14.057 -11.491 1.00 0.00 O ATOM 431 CB SER A 30 -5.577 -11.825 -9.459 1.00 0.00 C ATOM 432 OG SER A 30 -6.485 -12.911 -9.432 1.00 0.00 O ATOM 0 H SER A 30 -5.090 -12.787 -12.411 1.00 0.00 H new ATOM 0 HA SER A 30 -3.763 -11.216 -10.420 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.089 -11.734 -8.489 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.123 -10.897 -9.629 1.00 0.00 H new ATOM 0 HG SER A 30 -6.063 -13.679 -8.993 1.00 0.00 H new ATOM 438 N CYS A 31 -3.459 -13.817 -9.255 1.00 0.00 N ATOM 439 CA CYS A 31 -3.043 -15.206 -9.002 1.00 0.00 C ATOM 440 C CYS A 31 -4.286 -16.036 -8.650 1.00 0.00 C ATOM 441 O CYS A 31 -5.277 -15.480 -8.151 1.00 0.00 O ATOM 442 CB CYS A 31 -2.003 -15.272 -7.865 1.00 0.00 C ATOM 443 SG CYS A 31 -2.657 -14.920 -6.205 1.00 0.00 S ATOM 0 H CYS A 31 -3.446 -13.220 -8.428 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.572 -15.612 -9.897 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.555 -16.266 -7.860 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -1.204 -14.563 -8.082 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.504 -13.936 -6.272 1.00 0.00 H new ATOM 448 N LYS A 32 -4.226 -17.358 -8.900 1.00 0.00 N ATOM 449 CA LYS A 32 -5.367 -18.283 -8.686 1.00 0.00 C ATOM 450 C LYS A 32 -5.812 -18.276 -7.202 1.00 0.00 C ATOM 451 O LYS A 32 -6.999 -18.391 -6.913 1.00 0.00 O ATOM 452 CB LYS A 32 -4.975 -19.717 -9.176 1.00 0.00 C ATOM 453 CG LYS A 32 -6.143 -20.709 -9.491 1.00 0.00 C ATOM 454 CD LYS A 32 -6.846 -21.322 -8.244 1.00 0.00 C ATOM 455 CE LYS A 32 -5.883 -22.117 -7.336 1.00 0.00 C ATOM 456 NZ LYS A 32 -6.571 -22.694 -6.161 1.00 0.00 N ATOM 0 H LYS A 32 -3.389 -17.819 -9.256 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.223 -17.946 -9.271 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.369 -19.613 -10.076 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.341 -20.172 -8.415 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.890 -20.188 -10.090 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -5.753 -21.521 -10.104 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -7.306 -20.522 -7.664 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.650 -21.979 -8.574 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.420 -22.918 -7.913 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.080 -21.462 -6.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -5.893 -23.247 -5.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.962 -21.928 -5.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.342 -23.314 -6.480 1.00 0.00 H new ATOM 470 N ALA A 33 -4.838 -18.106 -6.289 1.00 0.00 N ATOM 471 CA ALA A 33 -5.080 -18.019 -4.825 1.00 0.00 C ATOM 472 C ALA A 33 -6.105 -16.915 -4.457 1.00 0.00 C ATOM 473 O ALA A 33 -6.967 -17.124 -3.592 1.00 0.00 O ATOM 474 CB ALA A 33 -3.748 -17.785 -4.091 1.00 0.00 C ATOM 0 H ALA A 33 -3.853 -18.024 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.513 -18.967 -4.506 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.930 -17.722 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -3.069 -18.613 -4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.300 -16.854 -4.438 1.00 0.00 H new ATOM 480 N CYS A 34 -5.997 -15.756 -5.146 1.00 0.00 N ATOM 481 CA CYS A 34 -6.905 -14.602 -4.954 1.00 0.00 C ATOM 482 C CYS A 34 -8.359 -14.972 -5.306 1.00 0.00 C ATOM 483 O CYS A 34 -9.258 -14.803 -4.472 1.00 0.00 O ATOM 484 CB CYS A 34 -6.438 -13.367 -5.779 1.00 0.00 C ATOM 485 SG CYS A 34 -5.163 -12.356 -4.959 1.00 0.00 S ATOM 0 H CYS A 34 -5.278 -15.595 -5.851 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.869 -14.333 -3.898 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -6.051 -13.711 -6.738 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.303 -12.738 -5.991 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.308 -11.935 -5.843 1.00 0.00 H new ATOM 490 N ILE A 35 -8.581 -15.493 -6.536 1.00 0.00 N ATOM 491 CA ILE A 35 -9.942 -15.805 -7.023 1.00 0.00 C ATOM 492 C ILE A 35 -10.535 -17.006 -6.256 1.00 0.00 C ATOM 493 O ILE A 35 -11.730 -17.030 -5.998 1.00 0.00 O ATOM 494 CB ILE A 35 -10.000 -16.034 -8.591 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.483 -16.169 -9.103 1.00 0.00 C ATOM 496 CG2 ILE A 35 -9.147 -17.246 -9.040 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.375 -14.965 -8.818 1.00 0.00 C ATOM 0 H ILE A 35 -7.839 -15.704 -7.204 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.558 -14.928 -6.823 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.565 -15.146 -9.050 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.466 -16.343 -10.179 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.931 -17.051 -8.645 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -9.219 -17.361 -10.121 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.106 -17.081 -8.762 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.514 -18.150 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.375 -15.153 -9.208 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.430 -14.800 -7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.958 -14.081 -9.300 1.00 0.00 H new ATOM 509 N ASN A 36 -9.673 -17.953 -5.845 1.00 0.00 N ATOM 510 CA ASN A 36 -10.071 -19.132 -5.043 1.00 0.00 C ATOM 511 C ASN A 36 -10.722 -18.692 -3.717 1.00 0.00 C ATOM 512 O ASN A 36 -11.792 -19.182 -3.333 1.00 0.00 O ATOM 513 CB ASN A 36 -8.822 -20.008 -4.760 1.00 0.00 C ATOM 514 CG ASN A 36 -9.114 -21.282 -3.955 1.00 0.00 C ATOM 515 OD1 ASN A 36 -9.329 -22.353 -4.520 1.00 0.00 O ATOM 516 ND2 ASN A 36 -9.130 -21.176 -2.634 1.00 0.00 N ATOM 0 H ASN A 36 -8.676 -17.925 -6.059 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.802 -19.713 -5.605 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.367 -20.289 -5.710 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -8.088 -19.410 -4.219 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -9.324 -21.996 -2.059 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.948 -20.275 -2.192 1.00 0.00 H new ATOM 523 N GLN A 37 -10.043 -17.752 -3.039 1.00 0.00 N ATOM 524 CA GLN A 37 -10.519 -17.127 -1.793 1.00 0.00 C ATOM 525 C GLN A 37 -11.832 -16.353 -2.029 1.00 0.00 C ATOM 526 O GLN A 37 -12.761 -16.415 -1.216 1.00 0.00 O ATOM 527 CB GLN A 37 -9.439 -16.158 -1.252 1.00 0.00 C ATOM 528 CG GLN A 37 -9.850 -15.375 0.016 1.00 0.00 C ATOM 529 CD GLN A 37 -8.874 -14.261 0.360 1.00 0.00 C ATOM 530 OE1 GLN A 37 -7.930 -14.451 1.130 1.00 0.00 O ATOM 531 NE2 GLN A 37 -9.082 -13.094 -0.228 1.00 0.00 N ATOM 0 H GLN A 37 -9.136 -17.400 -3.345 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.709 -17.915 -1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -8.536 -16.728 -1.034 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.184 -15.445 -2.036 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -10.843 -14.950 -0.130 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.919 -16.065 0.857 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -9.874 -12.975 -0.859 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -8.450 -12.313 -0.050 1.00 0.00 H new ATOM 540 N HIS A 38 -11.881 -15.627 -3.157 1.00 0.00 N ATOM 541 CA HIS A 38 -13.037 -14.798 -3.547 1.00 0.00 C ATOM 542 C HIS A 38 -14.281 -15.663 -3.781 1.00 0.00 C ATOM 543 O HIS A 38 -15.373 -15.273 -3.401 1.00 0.00 O ATOM 544 CB HIS A 38 -12.707 -13.974 -4.815 1.00 0.00 C ATOM 545 CG HIS A 38 -13.791 -13.007 -5.249 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.829 -11.710 -4.790 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.842 -13.201 -6.082 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.889 -11.158 -5.356 1.00 0.00 C ATOM 549 NE2 HIS A 38 -15.535 -12.021 -6.142 1.00 0.00 N ATOM 0 H HIS A 38 -11.115 -15.597 -3.830 1.00 0.00 H new ATOM 0 HA HIS A 38 -13.252 -14.111 -2.728 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.790 -13.413 -4.637 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.505 -14.663 -5.636 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -13.174 -11.266 -4.146 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -15.087 -14.115 -6.602 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -15.194 -10.134 -5.201 1.00 0.00 H new ATOM 557 N LEU A 39 -14.085 -16.849 -4.382 1.00 0.00 N ATOM 558 CA LEU A 39 -15.177 -17.781 -4.740 1.00 0.00 C ATOM 559 C LEU A 39 -15.825 -18.420 -3.494 1.00 0.00 C ATOM 560 O LEU A 39 -16.882 -19.048 -3.600 1.00 0.00 O ATOM 561 CB LEU A 39 -14.659 -18.856 -5.734 1.00 0.00 C ATOM 562 CG LEU A 39 -14.284 -18.318 -7.159 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.594 -19.401 -8.011 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.521 -17.731 -7.888 1.00 0.00 C ATOM 0 H LEU A 39 -13.159 -17.194 -4.636 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.962 -17.207 -5.233 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.781 -19.336 -5.301 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.423 -19.626 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.569 -17.507 -7.020 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.349 -18.992 -8.991 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -12.680 -19.726 -7.515 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.265 -20.252 -8.130 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -15.225 -17.368 -8.872 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.279 -18.506 -8.000 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.930 -16.906 -7.304 1.00 0.00 H new ATOM 576 N MET A 40 -15.193 -18.249 -2.319 1.00 0.00 N ATOM 577 CA MET A 40 -15.779 -18.666 -1.024 1.00 0.00 C ATOM 578 C MET A 40 -16.874 -17.668 -0.560 1.00 0.00 C ATOM 579 O MET A 40 -17.662 -17.975 0.340 1.00 0.00 O ATOM 580 CB MET A 40 -14.677 -18.781 0.064 1.00 0.00 C ATOM 581 CG MET A 40 -13.504 -19.709 -0.294 1.00 0.00 C ATOM 582 SD MET A 40 -12.403 -20.029 1.107 1.00 0.00 S ATOM 583 CE MET A 40 -11.941 -18.372 1.620 1.00 0.00 C ATOM 0 H MET A 40 -14.270 -17.822 -2.236 1.00 0.00 H new ATOM 0 HA MET A 40 -16.239 -19.644 -1.168 1.00 0.00 H new ATOM 0 HB2 MET A 40 -14.284 -17.785 0.268 1.00 0.00 H new ATOM 0 HB3 MET A 40 -15.134 -19.138 0.987 1.00 0.00 H new ATOM 0 HG2 MET A 40 -13.897 -20.656 -0.664 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.930 -19.263 -1.106 1.00 0.00 H new ATOM 0 HE1 MET A 40 -10.909 -18.374 1.972 1.00 0.00 H new ATOM 0 HE2 MET A 40 -12.035 -17.690 0.775 1.00 0.00 H new ATOM 0 HE3 MET A 40 -12.598 -18.044 2.425 1.00 0.00 H new ATOM 593 N ASN A 41 -16.901 -16.467 -1.187 1.00 0.00 N ATOM 594 CA ASN A 41 -17.780 -15.336 -0.798 1.00 0.00 C ATOM 595 C ASN A 41 -18.698 -14.931 -1.985 1.00 0.00 C ATOM 596 O ASN A 41 -19.923 -15.066 -1.918 1.00 0.00 O ATOM 597 CB ASN A 41 -16.914 -14.114 -0.356 1.00 0.00 C ATOM 598 CG ASN A 41 -15.883 -14.466 0.719 1.00 0.00 C ATOM 599 OD1 ASN A 41 -16.162 -14.386 1.911 1.00 0.00 O ATOM 600 ND2 ASN A 41 -14.689 -14.874 0.305 1.00 0.00 N ATOM 0 H ASN A 41 -16.306 -16.253 -1.987 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.405 -15.652 0.037 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -16.398 -13.708 -1.226 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -17.570 -13.329 0.021 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.974 -15.131 0.985 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.487 -14.930 -0.693 1.00 0.00 H new ATOM 607 N ASN A 42 -18.072 -14.435 -3.070 1.00 0.00 N ATOM 608 CA ASN A 42 -18.756 -13.936 -4.290 1.00 0.00 C ATOM 609 C ASN A 42 -18.174 -14.645 -5.533 1.00 0.00 C ATOM 610 O ASN A 42 -17.353 -15.550 -5.400 1.00 0.00 O ATOM 611 CB ASN A 42 -18.567 -12.396 -4.416 1.00 0.00 C ATOM 612 CG ASN A 42 -19.054 -11.614 -3.198 1.00 0.00 C ATOM 613 OD1 ASN A 42 -20.220 -11.230 -3.117 1.00 0.00 O ATOM 614 ND2 ASN A 42 -18.167 -11.371 -2.240 1.00 0.00 N ATOM 0 H ASN A 42 -17.056 -14.366 -3.129 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.822 -14.152 -4.219 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -17.510 -12.181 -4.576 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -19.101 -12.045 -5.299 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -18.445 -10.852 -1.407 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -17.207 -11.703 -2.337 1.00 0.00 H new ATOM 621 N LYS A 43 -18.602 -14.227 -6.746 1.00 0.00 N ATOM 622 CA LYS A 43 -18.101 -14.785 -8.032 1.00 0.00 C ATOM 623 C LYS A 43 -17.860 -13.626 -9.020 1.00 0.00 C ATOM 624 O LYS A 43 -18.590 -13.474 -9.999 1.00 0.00 O ATOM 625 CB LYS A 43 -19.121 -15.811 -8.629 1.00 0.00 C ATOM 626 CG LYS A 43 -19.553 -16.933 -7.667 1.00 0.00 C ATOM 627 CD LYS A 43 -20.558 -17.920 -8.302 1.00 0.00 C ATOM 628 CE LYS A 43 -19.941 -18.791 -9.410 1.00 0.00 C ATOM 629 NZ LYS A 43 -18.837 -19.646 -8.902 1.00 0.00 N ATOM 0 H LYS A 43 -19.303 -13.495 -6.866 1.00 0.00 H new ATOM 0 HA LYS A 43 -17.165 -15.315 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -20.009 -15.270 -8.955 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.680 -16.264 -9.517 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -18.671 -17.482 -7.339 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -20.001 -16.489 -6.778 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -20.962 -18.567 -7.523 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -21.396 -17.358 -8.716 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -20.715 -19.422 -9.847 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -19.564 -18.150 -10.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -17.934 -19.324 -9.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -18.795 -19.579 -7.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -19.008 -20.634 -9.179 1.00 0.00 H new ATOM 643 N ASP A 44 -16.840 -12.789 -8.740 1.00 0.00 N ATOM 644 CA ASP A 44 -16.637 -11.493 -9.454 1.00 0.00 C ATOM 645 C ASP A 44 -15.152 -11.230 -9.765 1.00 0.00 C ATOM 646 O ASP A 44 -14.248 -11.857 -9.207 1.00 0.00 O ATOM 647 CB ASP A 44 -17.231 -10.313 -8.633 1.00 0.00 C ATOM 648 CG ASP A 44 -18.742 -10.462 -8.395 1.00 0.00 C ATOM 649 OD1 ASP A 44 -19.527 -10.268 -9.352 1.00 0.00 O ATOM 650 OD2 ASP A 44 -19.147 -10.850 -7.282 1.00 0.00 O ATOM 0 H ASP A 44 -16.138 -12.980 -8.025 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.165 -11.566 -10.405 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.720 -10.250 -7.672 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.040 -9.377 -9.158 1.00 0.00 H new ATOM 655 N CYS A 45 -14.933 -10.247 -10.656 1.00 0.00 N ATOM 656 CA CYS A 45 -13.614 -9.910 -11.251 1.00 0.00 C ATOM 657 C CYS A 45 -12.841 -8.867 -10.409 1.00 0.00 C ATOM 658 O CYS A 45 -11.959 -8.170 -10.938 1.00 0.00 O ATOM 659 CB CYS A 45 -13.874 -9.384 -12.681 1.00 0.00 C ATOM 660 SG CYS A 45 -12.418 -9.011 -13.709 1.00 0.00 S ATOM 0 H CYS A 45 -15.684 -9.645 -10.995 1.00 0.00 H new ATOM 0 HA CYS A 45 -12.985 -10.800 -11.273 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.479 -10.122 -13.208 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.474 -8.477 -12.603 1.00 0.00 H new ATOM 0 HG CYS A 45 -11.485 -8.491 -12.968 1.00 0.00 H new ATOM 665 N PHE A 46 -13.167 -8.801 -9.096 1.00 0.00 N ATOM 666 CA PHE A 46 -12.559 -7.873 -8.110 1.00 0.00 C ATOM 667 C PHE A 46 -12.746 -6.386 -8.502 1.00 0.00 C ATOM 668 O PHE A 46 -13.738 -5.755 -8.135 1.00 0.00 O ATOM 669 CB PHE A 46 -11.043 -8.181 -7.871 1.00 0.00 C ATOM 670 CG PHE A 46 -10.739 -9.513 -7.198 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.586 -10.680 -7.948 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.581 -9.588 -5.816 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.290 -11.876 -7.333 1.00 0.00 C ATOM 674 CE2 PHE A 46 -10.279 -10.785 -5.205 1.00 0.00 C ATOM 675 CZ PHE A 46 -10.132 -11.925 -5.963 1.00 0.00 C ATOM 0 H PHE A 46 -13.877 -9.406 -8.682 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.094 -8.042 -7.176 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.530 -8.155 -8.832 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.620 -7.382 -7.262 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.701 -10.645 -9.021 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.697 -8.697 -5.217 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.182 -12.775 -7.922 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -10.158 -10.829 -4.133 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.892 -12.862 -5.483 1.00 0.00 H new ATOM 685 N PHE A 47 -11.803 -5.901 -9.335 1.00 0.00 N ATOM 686 CA PHE A 47 -11.522 -4.470 -9.569 1.00 0.00 C ATOM 687 C PHE A 47 -12.689 -3.781 -10.296 1.00 0.00 C ATOM 688 O PHE A 47 -13.044 -2.645 -9.983 1.00 0.00 O ATOM 689 CB PHE A 47 -10.200 -4.338 -10.392 1.00 0.00 C ATOM 690 CG PHE A 47 -9.082 -5.244 -9.878 1.00 0.00 C ATOM 691 CD1 PHE A 47 -8.394 -4.931 -8.708 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.754 -6.434 -10.539 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.416 -5.773 -8.216 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.772 -7.269 -10.049 1.00 0.00 C ATOM 695 CZ PHE A 47 -7.105 -6.940 -8.887 1.00 0.00 C ATOM 0 H PHE A 47 -11.197 -6.514 -9.881 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.404 -3.971 -8.607 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.403 -4.578 -11.436 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -9.863 -3.302 -10.363 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -8.628 -4.019 -8.179 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.277 -6.702 -11.445 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -6.894 -5.519 -7.306 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.525 -8.180 -10.574 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.338 -7.596 -8.501 1.00 0.00 H new ATOM 705 N CYS A 48 -13.272 -4.490 -11.278 1.00 0.00 N ATOM 706 CA CYS A 48 -14.404 -3.978 -12.078 1.00 0.00 C ATOM 707 C CYS A 48 -15.716 -4.708 -11.719 1.00 0.00 C ATOM 708 O CYS A 48 -16.764 -4.409 -12.301 1.00 0.00 O ATOM 709 CB CYS A 48 -14.114 -4.154 -13.577 1.00 0.00 C ATOM 710 SG CYS A 48 -14.441 -5.839 -14.168 1.00 0.00 S ATOM 0 H CYS A 48 -12.975 -5.430 -11.541 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.523 -2.919 -11.850 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -14.724 -3.451 -14.145 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.072 -3.902 -13.772 1.00 0.00 H new ATOM 0 HG CYS A 48 -13.492 -6.632 -13.766 1.00 0.00 H new ATOM 715 N LYS A 49 -15.622 -5.708 -10.797 1.00 0.00 N ATOM 716 CA LYS A 49 -16.778 -6.448 -10.221 1.00 0.00 C ATOM 717 C LYS A 49 -17.550 -7.349 -11.241 1.00 0.00 C ATOM 718 O LYS A 49 -18.458 -8.069 -10.840 1.00 0.00 O ATOM 719 CB LYS A 49 -17.717 -5.434 -9.478 1.00 0.00 C ATOM 720 CG LYS A 49 -18.985 -6.019 -8.814 1.00 0.00 C ATOM 721 CD LYS A 49 -19.824 -4.953 -8.078 1.00 0.00 C ATOM 722 CE LYS A 49 -21.189 -5.490 -7.603 1.00 0.00 C ATOM 723 NZ LYS A 49 -21.051 -6.696 -6.745 1.00 0.00 N ATOM 0 H LYS A 49 -14.725 -6.026 -10.429 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.379 -7.167 -9.505 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.132 -4.930 -8.709 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.028 -4.672 -10.193 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.601 -6.496 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.693 -6.796 -8.107 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.264 -4.586 -7.218 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.984 -4.102 -8.740 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.711 -4.710 -7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -21.804 -5.732 -8.470 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -21.985 -6.972 -6.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.654 -7.477 -7.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.417 -6.484 -5.948 1.00 0.00 H new ATOM 737 N THR A 50 -17.162 -7.359 -12.537 1.00 0.00 N ATOM 738 CA THR A 50 -17.825 -8.210 -13.564 1.00 0.00 C ATOM 739 C THR A 50 -17.812 -9.704 -13.145 1.00 0.00 C ATOM 740 O THR A 50 -16.747 -10.242 -12.843 1.00 0.00 O ATOM 741 CB THR A 50 -17.118 -8.055 -14.950 1.00 0.00 C ATOM 742 OG1 THR A 50 -16.997 -6.662 -15.264 1.00 0.00 O ATOM 743 CG2 THR A 50 -17.875 -8.782 -16.087 1.00 0.00 C ATOM 0 H THR A 50 -16.396 -6.791 -12.900 1.00 0.00 H new ATOM 0 HA THR A 50 -18.859 -7.876 -13.648 1.00 0.00 H new ATOM 0 HB THR A 50 -16.134 -8.518 -14.873 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.055 -6.396 -15.214 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.341 -8.642 -17.027 1.00 0.00 H new ATOM 0 HG22 THR A 50 -17.937 -9.846 -15.860 1.00 0.00 H new ATOM 0 HG23 THR A 50 -18.880 -8.370 -16.176 1.00 0.00 H new ATOM 751 N THR A 51 -18.998 -10.338 -13.088 1.00 0.00 N ATOM 752 CA THR A 51 -19.144 -11.748 -12.676 1.00 0.00 C ATOM 753 C THR A 51 -18.302 -12.691 -13.562 1.00 0.00 C ATOM 754 O THR A 51 -18.276 -12.542 -14.792 1.00 0.00 O ATOM 755 CB THR A 51 -20.648 -12.168 -12.691 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.370 -11.311 -11.791 1.00 0.00 O ATOM 757 CG2 THR A 51 -20.874 -13.644 -12.281 1.00 0.00 C ATOM 0 H THR A 51 -19.882 -9.888 -13.326 1.00 0.00 H new ATOM 0 HA THR A 51 -18.767 -11.837 -11.657 1.00 0.00 H new ATOM 0 HB THR A 51 -21.006 -12.068 -13.716 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.775 -11.020 -11.068 1.00 0.00 H new ATOM 0 HG21 THR A 51 -21.940 -13.871 -12.312 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.343 -14.299 -12.972 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.499 -13.802 -11.270 1.00 0.00 H new ATOM 765 N ILE A 52 -17.586 -13.632 -12.903 1.00 0.00 N ATOM 766 CA ILE A 52 -16.665 -14.566 -13.569 1.00 0.00 C ATOM 767 C ILE A 52 -17.426 -15.470 -14.559 1.00 0.00 C ATOM 768 O ILE A 52 -18.347 -16.193 -14.167 1.00 0.00 O ATOM 769 CB ILE A 52 -15.886 -15.465 -12.533 1.00 0.00 C ATOM 770 CG1 ILE A 52 -15.105 -14.589 -11.506 1.00 0.00 C ATOM 771 CG2 ILE A 52 -14.923 -16.455 -13.250 1.00 0.00 C ATOM 772 CD1 ILE A 52 -14.037 -13.693 -12.117 1.00 0.00 C ATOM 0 H ILE A 52 -17.635 -13.760 -11.892 1.00 0.00 H new ATOM 0 HA ILE A 52 -15.939 -13.961 -14.111 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.627 -16.052 -11.990 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.817 -13.966 -10.965 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.634 -15.245 -10.773 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.402 -17.059 -12.507 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -15.496 -17.106 -13.910 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.195 -15.894 -13.836 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.547 -13.122 -11.329 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.299 -14.307 -12.633 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.500 -13.008 -12.827 1.00 0.00 H new ATOM 784 N VAL A 53 -17.061 -15.372 -15.844 1.00 0.00 N ATOM 785 CA VAL A 53 -17.572 -16.263 -16.893 1.00 0.00 C ATOM 786 C VAL A 53 -16.630 -17.477 -17.025 1.00 0.00 C ATOM 787 O VAL A 53 -17.083 -18.621 -17.150 1.00 0.00 O ATOM 788 CB VAL A 53 -17.706 -15.498 -18.254 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.283 -16.402 -19.373 1.00 0.00 C ATOM 790 CG2 VAL A 53 -18.556 -14.208 -18.081 1.00 0.00 C ATOM 0 H VAL A 53 -16.402 -14.672 -16.185 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.567 -16.614 -16.620 1.00 0.00 H new ATOM 0 HB VAL A 53 -16.702 -15.207 -18.564 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.359 -15.832 -20.299 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.624 -17.257 -19.526 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.272 -16.755 -19.082 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.635 -13.693 -19.039 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.552 -14.473 -17.728 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.077 -13.551 -17.355 1.00 0.00 H new ATOM 800 N SER A 54 -15.311 -17.217 -16.940 1.00 0.00 N ATOM 801 CA SER A 54 -14.270 -18.257 -17.024 1.00 0.00 C ATOM 802 C SER A 54 -12.998 -17.796 -16.285 1.00 0.00 C ATOM 803 O SER A 54 -12.708 -16.594 -16.231 1.00 0.00 O ATOM 804 CB SER A 54 -13.957 -18.565 -18.514 1.00 0.00 C ATOM 805 OG SER A 54 -13.060 -19.655 -18.660 1.00 0.00 O ATOM 0 H SER A 54 -14.938 -16.277 -16.811 1.00 0.00 H new ATOM 0 HA SER A 54 -14.632 -19.168 -16.546 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.885 -18.788 -19.040 1.00 0.00 H new ATOM 0 HB3 SER A 54 -13.529 -17.679 -18.984 1.00 0.00 H new ATOM 0 HG SER A 54 -12.892 -19.815 -19.612 1.00 0.00 H new ATOM 811 N VAL A 55 -12.272 -18.755 -15.676 1.00 0.00 N ATOM 812 CA VAL A 55 -10.917 -18.537 -15.137 1.00 0.00 C ATOM 813 C VAL A 55 -9.941 -19.362 -15.991 1.00 0.00 C ATOM 814 O VAL A 55 -9.875 -20.592 -15.859 1.00 0.00 O ATOM 815 CB VAL A 55 -10.783 -18.957 -13.615 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.339 -18.722 -13.078 1.00 0.00 C ATOM 817 CG2 VAL A 55 -11.826 -18.227 -12.728 1.00 0.00 C ATOM 0 H VAL A 55 -12.612 -19.707 -15.544 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.693 -17.471 -15.181 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.988 -20.026 -13.562 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.287 -19.022 -12.031 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.633 -19.314 -13.661 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.086 -17.666 -13.166 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.704 -18.540 -11.691 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.676 -17.150 -12.802 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.831 -18.478 -13.067 1.00 0.00 H new ATOM 827 N GLU A 56 -9.218 -18.683 -16.884 1.00 0.00 N ATOM 828 CA GLU A 56 -8.205 -19.307 -17.756 1.00 0.00 C ATOM 829 C GLU A 56 -6.808 -19.115 -17.126 1.00 0.00 C ATOM 830 O GLU A 56 -6.617 -18.213 -16.310 1.00 0.00 O ATOM 831 CB GLU A 56 -8.271 -18.662 -19.172 1.00 0.00 C ATOM 832 CG GLU A 56 -7.235 -19.200 -20.181 1.00 0.00 C ATOM 833 CD GLU A 56 -7.202 -18.431 -21.509 1.00 0.00 C ATOM 834 OE1 GLU A 56 -6.532 -17.380 -21.583 1.00 0.00 O ATOM 835 OE2 GLU A 56 -7.840 -18.876 -22.495 1.00 0.00 O ATOM 0 H GLU A 56 -9.315 -17.678 -17.028 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.400 -20.375 -17.856 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -9.269 -18.819 -19.580 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -8.133 -17.585 -19.071 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -6.245 -19.162 -19.726 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -7.452 -20.249 -20.385 1.00 0.00 H new ATOM 842 N ASP A 57 -5.851 -19.984 -17.474 1.00 0.00 N ATOM 843 CA ASP A 57 -4.434 -19.796 -17.122 1.00 0.00 C ATOM 844 C ASP A 57 -3.834 -18.717 -18.038 1.00 0.00 C ATOM 845 O ASP A 57 -3.663 -18.952 -19.244 1.00 0.00 O ATOM 846 CB ASP A 57 -3.654 -21.130 -17.262 1.00 0.00 C ATOM 847 CG ASP A 57 -4.073 -22.176 -16.217 1.00 0.00 C ATOM 848 OD1 ASP A 57 -5.099 -22.867 -16.424 1.00 0.00 O ATOM 849 OD2 ASP A 57 -3.388 -22.305 -15.174 1.00 0.00 O ATOM 0 H ASP A 57 -6.034 -20.835 -18.006 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.356 -19.475 -16.083 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.814 -21.536 -18.261 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.586 -20.933 -17.165 1.00 0.00 H new ATOM 854 N TRP A 58 -3.570 -17.523 -17.474 1.00 0.00 N ATOM 855 CA TRP A 58 -2.997 -16.403 -18.231 1.00 0.00 C ATOM 856 C TRP A 58 -1.499 -16.637 -18.472 1.00 0.00 C ATOM 857 O TRP A 58 -0.684 -16.505 -17.545 1.00 0.00 O ATOM 858 CB TRP A 58 -3.210 -15.049 -17.505 1.00 0.00 C ATOM 859 CG TRP A 58 -2.800 -13.849 -18.350 1.00 0.00 C ATOM 860 CD1 TRP A 58 -3.464 -13.349 -19.441 1.00 0.00 C ATOM 861 CD2 TRP A 58 -1.629 -13.024 -18.193 1.00 0.00 C ATOM 862 NE1 TRP A 58 -2.795 -12.262 -19.946 1.00 0.00 N ATOM 863 CE2 TRP A 58 -1.670 -12.040 -19.196 1.00 0.00 C ATOM 864 CE3 TRP A 58 -0.560 -13.010 -17.293 1.00 0.00 C ATOM 865 CZ2 TRP A 58 -0.680 -11.075 -19.329 1.00 0.00 C ATOM 866 CZ3 TRP A 58 0.418 -12.043 -17.420 1.00 0.00 C ATOM 867 CH2 TRP A 58 0.349 -11.082 -18.431 1.00 0.00 C ATOM 0 H TRP A 58 -3.747 -17.313 -16.492 1.00 0.00 H new ATOM 0 HA TRP A 58 -3.516 -16.354 -19.188 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -4.260 -14.951 -17.231 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.637 -15.046 -16.578 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -4.381 -13.752 -19.845 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -3.088 -11.708 -20.751 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -0.499 -13.748 -16.506 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -0.723 -10.340 -20.120 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 1.247 -12.030 -16.728 1.00 0.00 H new ATOM 0 HH2 TRP A 58 1.122 -10.332 -18.504 1.00 0.00 H new