USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=18 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 147:sc= 0.175 USER MOD Set 1.2: A 28 HIS : no HE2:sc= -1.39 K(o=-0.88,f=0.097) USER MOD Set 1.3: A 45 CYS SG : rot -46:sc= -2.27! USER MOD Set 1.4: A 48 CYS SG : rot 92:sc= 1.64 USER MOD Set 1.5: A 50 THR OG1 : rot 180:sc= 0.963 USER MOD Set 2.1: A 11 CYS SG : rot -143:sc= 0.206 USER MOD Set 2.2: A 14 CYS SG : rot 140:sc= 0.383 USER MOD Set 2.3: A 31 CYS SG : rot -39:sc= -0.35 USER MOD Set 2.4: A 34 CYS SG : rot 134:sc= -0.251 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc=-0.000202 X(o=-0.0002,f=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.415 USER MOD Single : A 24 GLN : amide:sc= -0.144 X(o=-0.14,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 175:sc= 0.727 (180deg=0.613) USER MOD Single : A 30 SER OG : rot -29:sc= -0.362 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= -0.105 (180deg=-0.372) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 38 HIS : no HE2:sc= -0.0819 K(o=-0.082,f=-2.4!) USER MOD Single : A 40 MET CE :methyl -158:sc= -0.179 (180deg=-0.795) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -115:sc= 0.183 USER MOD ----------------------------------------------------------------- ATOM 129 N LEU A 10 3.253 -8.643 -11.960 1.00 0.00 N ATOM 130 CA LEU A 10 2.946 -9.254 -10.659 1.00 0.00 C ATOM 131 C LEU A 10 1.469 -9.078 -10.298 1.00 0.00 C ATOM 132 O LEU A 10 0.789 -8.198 -10.843 1.00 0.00 O ATOM 133 CB LEU A 10 3.855 -8.635 -9.565 1.00 0.00 C ATOM 134 CG LEU A 10 5.388 -8.870 -9.755 1.00 0.00 C ATOM 135 CD1 LEU A 10 6.226 -8.068 -8.732 1.00 0.00 C ATOM 136 CD2 LEU A 10 5.732 -10.378 -9.692 1.00 0.00 C ATOM 0 HA LEU A 10 3.142 -10.324 -10.723 1.00 0.00 H new ATOM 0 HB2 LEU A 10 3.671 -7.561 -9.529 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.559 -9.042 -8.598 1.00 0.00 H new ATOM 0 HG LEU A 10 5.649 -8.502 -10.747 1.00 0.00 H new ATOM 0 HD11 LEU A 10 7.286 -8.260 -8.899 1.00 0.00 H new ATOM 0 HD12 LEU A 10 6.027 -7.003 -8.853 1.00 0.00 H new ATOM 0 HD13 LEU A 10 5.957 -8.375 -7.721 1.00 0.00 H new ATOM 0 HD21 LEU A 10 6.805 -10.512 -9.827 1.00 0.00 H new ATOM 0 HD22 LEU A 10 5.435 -10.779 -8.723 1.00 0.00 H new ATOM 0 HD23 LEU A 10 5.198 -10.906 -10.482 1.00 0.00 H new ATOM 148 N CYS A 11 0.987 -9.920 -9.361 1.00 0.00 N ATOM 149 CA CYS A 11 -0.401 -9.868 -8.865 1.00 0.00 C ATOM 150 C CYS A 11 -0.680 -8.508 -8.191 1.00 0.00 C ATOM 151 O CYS A 11 -0.027 -8.195 -7.207 1.00 0.00 O ATOM 152 CB CYS A 11 -0.674 -11.005 -7.850 1.00 0.00 C ATOM 153 SG CYS A 11 -2.404 -11.045 -7.281 1.00 0.00 S ATOM 0 H CYS A 11 1.549 -10.653 -8.929 1.00 0.00 H new ATOM 0 HA CYS A 11 -1.063 -9.995 -9.722 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -0.425 -11.962 -8.308 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -0.016 -10.883 -6.989 1.00 0.00 H new ATOM 0 HG CYS A 11 -2.440 -11.383 -6.026 1.00 0.00 H new ATOM 158 N PRO A 12 -1.662 -7.682 -8.689 1.00 0.00 N ATOM 159 CA PRO A 12 -1.951 -6.331 -8.115 1.00 0.00 C ATOM 160 C PRO A 12 -2.534 -6.389 -6.681 1.00 0.00 C ATOM 161 O PRO A 12 -2.629 -5.362 -6.000 1.00 0.00 O ATOM 162 CB PRO A 12 -2.968 -5.729 -9.129 1.00 0.00 C ATOM 163 CG PRO A 12 -3.635 -6.927 -9.741 1.00 0.00 C ATOM 164 CD PRO A 12 -2.554 -7.980 -9.848 1.00 0.00 C ATOM 0 HA PRO A 12 -1.048 -5.733 -7.997 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.691 -5.082 -8.631 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.466 -5.124 -9.884 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.462 -7.275 -9.122 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -4.049 -6.688 -10.721 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -2.967 -8.987 -9.788 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.019 -7.911 -10.795 1.00 0.00 H new ATOM 172 N ILE A 13 -2.921 -7.605 -6.251 1.00 0.00 N ATOM 173 CA ILE A 13 -3.574 -7.864 -4.955 1.00 0.00 C ATOM 174 C ILE A 13 -2.559 -8.348 -3.881 1.00 0.00 C ATOM 175 O ILE A 13 -2.749 -8.101 -2.685 1.00 0.00 O ATOM 176 CB ILE A 13 -4.710 -8.941 -5.162 1.00 0.00 C ATOM 177 CG1 ILE A 13 -5.726 -8.447 -6.257 1.00 0.00 C ATOM 178 CG2 ILE A 13 -5.435 -9.288 -3.831 1.00 0.00 C ATOM 179 CD1 ILE A 13 -6.799 -9.449 -6.641 1.00 0.00 C ATOM 0 H ILE A 13 -2.786 -8.450 -6.806 1.00 0.00 H new ATOM 0 HA ILE A 13 -4.003 -6.931 -4.590 1.00 0.00 H new ATOM 0 HB ILE A 13 -4.242 -9.862 -5.509 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.211 -7.540 -5.897 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.167 -8.176 -7.153 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.208 -10.032 -4.021 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -4.714 -9.687 -3.118 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.892 -8.388 -3.420 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.448 -9.014 -7.401 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -6.330 -10.350 -7.037 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.390 -9.704 -5.762 1.00 0.00 H new ATOM 191 N CYS A 14 -1.470 -9.013 -4.316 1.00 0.00 N ATOM 192 CA CYS A 14 -0.496 -9.659 -3.393 1.00 0.00 C ATOM 193 C CYS A 14 0.881 -8.994 -3.502 1.00 0.00 C ATOM 194 O CYS A 14 1.586 -8.851 -2.501 1.00 0.00 O ATOM 195 CB CYS A 14 -0.382 -11.158 -3.715 1.00 0.00 C ATOM 196 SG CYS A 14 -1.949 -12.069 -3.597 1.00 0.00 S ATOM 0 H CYS A 14 -1.236 -9.121 -5.303 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.857 -9.537 -2.372 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.016 -11.272 -4.723 1.00 0.00 H new ATOM 0 HB3 CYS A 14 0.340 -11.610 -3.035 1.00 0.00 H new ATOM 0 HG CYS A 14 -2.024 -12.931 -4.567 1.00 0.00 H new ATOM 201 N TYR A 15 1.229 -8.651 -4.757 1.00 0.00 N ATOM 202 CA TYR A 15 2.442 -7.909 -5.167 1.00 0.00 C ATOM 203 C TYR A 15 3.682 -8.826 -5.227 1.00 0.00 C ATOM 204 O TYR A 15 4.334 -8.910 -6.261 1.00 0.00 O ATOM 205 CB TYR A 15 2.698 -6.650 -4.285 1.00 0.00 C ATOM 206 CG TYR A 15 3.525 -5.556 -4.976 1.00 0.00 C ATOM 207 CD1 TYR A 15 2.903 -4.641 -5.823 1.00 0.00 C ATOM 208 CD2 TYR A 15 4.907 -5.444 -4.797 1.00 0.00 C ATOM 209 CE1 TYR A 15 3.616 -3.649 -6.448 1.00 0.00 C ATOM 210 CE2 TYR A 15 5.624 -4.450 -5.425 1.00 0.00 C ATOM 211 CZ TYR A 15 4.976 -3.560 -6.249 1.00 0.00 C ATOM 212 OH TYR A 15 5.686 -2.567 -6.871 1.00 0.00 O ATOM 0 H TYR A 15 0.643 -8.895 -5.555 1.00 0.00 H new ATOM 0 HA TYR A 15 2.256 -7.547 -6.178 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.738 -6.229 -3.984 1.00 0.00 H new ATOM 0 HB3 TYR A 15 3.211 -6.957 -3.374 1.00 0.00 H new ATOM 0 HD1 TYR A 15 1.839 -4.714 -5.991 1.00 0.00 H new ATOM 0 HD2 TYR A 15 5.420 -6.147 -4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 15 3.114 -2.942 -7.092 1.00 0.00 H new ATOM 0 HE2 TYR A 15 6.690 -4.370 -5.271 1.00 0.00 H new ATOM 0 HH TYR A 15 6.632 -2.640 -6.628 1.00 0.00 H new ATOM 222 N ALA A 16 3.974 -9.524 -4.112 1.00 0.00 N ATOM 223 CA ALA A 16 5.173 -10.377 -3.958 1.00 0.00 C ATOM 224 C ALA A 16 5.226 -11.530 -4.991 1.00 0.00 C ATOM 225 O ALA A 16 6.302 -11.859 -5.511 1.00 0.00 O ATOM 226 CB ALA A 16 5.221 -10.925 -2.517 1.00 0.00 C ATOM 0 H ALA A 16 3.379 -9.513 -3.283 1.00 0.00 H new ATOM 0 HA ALA A 16 6.051 -9.761 -4.150 1.00 0.00 H new ATOM 0 HB1 ALA A 16 6.102 -11.555 -2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 16 5.270 -10.094 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 16 4.325 -11.514 -2.322 1.00 0.00 H new ATOM 232 N HIS A 17 4.056 -12.133 -5.282 1.00 0.00 N ATOM 233 CA HIS A 17 3.924 -13.255 -6.248 1.00 0.00 C ATOM 234 C HIS A 17 3.319 -12.754 -7.577 1.00 0.00 C ATOM 235 O HIS A 17 2.588 -11.748 -7.575 1.00 0.00 O ATOM 236 CB HIS A 17 3.058 -14.400 -5.638 1.00 0.00 C ATOM 237 CG HIS A 17 3.721 -15.144 -4.498 1.00 0.00 C ATOM 238 ND1 HIS A 17 3.023 -15.937 -3.614 1.00 0.00 N ATOM 239 CD2 HIS A 17 5.022 -15.217 -4.106 1.00 0.00 C ATOM 240 CE1 HIS A 17 3.860 -16.459 -2.739 1.00 0.00 C ATOM 241 NE2 HIS A 17 5.074 -16.040 -3.013 1.00 0.00 N ATOM 0 H HIS A 17 3.171 -11.859 -4.856 1.00 0.00 H new ATOM 0 HA HIS A 17 4.917 -13.654 -6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.118 -13.978 -5.283 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.811 -15.112 -6.426 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.859 -14.718 -4.571 1.00 0.00 H new ATOM 0 HE1 HIS A 17 3.591 -17.122 -1.930 1.00 0.00 H new ATOM 0 HE2 HIS A 17 5.918 -16.287 -2.496 1.00 0.00 H new ATOM 250 N PRO A 18 3.606 -13.448 -8.735 1.00 0.00 N ATOM 251 CA PRO A 18 3.125 -13.023 -10.076 1.00 0.00 C ATOM 252 C PRO A 18 1.628 -13.313 -10.316 1.00 0.00 C ATOM 253 O PRO A 18 0.864 -13.581 -9.379 1.00 0.00 O ATOM 254 CB PRO A 18 4.033 -13.834 -11.036 1.00 0.00 C ATOM 255 CG PRO A 18 4.291 -15.104 -10.294 1.00 0.00 C ATOM 256 CD PRO A 18 4.432 -14.698 -8.840 1.00 0.00 C ATOM 0 HA PRO A 18 3.191 -11.944 -10.214 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.540 -14.021 -11.990 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.959 -13.303 -11.254 1.00 0.00 H new ATOM 0 HG2 PRO A 18 3.472 -15.810 -10.427 1.00 0.00 H new ATOM 0 HG3 PRO A 18 5.196 -15.593 -10.655 1.00 0.00 H new ATOM 0 HD2 PRO A 18 4.067 -15.476 -8.170 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.473 -14.513 -8.576 1.00 0.00 H new ATOM 264 N ILE A 19 1.217 -13.184 -11.581 1.00 0.00 N ATOM 265 CA ILE A 19 -0.137 -13.521 -12.044 1.00 0.00 C ATOM 266 C ILE A 19 -0.148 -14.939 -12.649 1.00 0.00 C ATOM 267 O ILE A 19 0.854 -15.375 -13.222 1.00 0.00 O ATOM 268 CB ILE A 19 -0.623 -12.433 -13.089 1.00 0.00 C ATOM 269 CG1 ILE A 19 -0.820 -11.059 -12.359 1.00 0.00 C ATOM 270 CG2 ILE A 19 -1.898 -12.856 -13.860 1.00 0.00 C ATOM 271 CD1 ILE A 19 -1.387 -9.927 -13.196 1.00 0.00 C ATOM 0 H ILE A 19 1.823 -12.838 -12.325 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.830 -13.516 -11.203 1.00 0.00 H new ATOM 0 HB ILE A 19 0.154 -12.332 -13.847 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -1.479 -11.217 -11.506 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.144 -10.741 -11.962 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.179 -12.068 -14.559 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.702 -13.776 -14.410 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.712 -13.021 -13.154 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.477 -9.031 -12.582 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.722 -9.727 -14.036 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.370 -10.210 -13.572 1.00 0.00 H new ATOM 283 N SER A 20 -1.287 -15.644 -12.490 1.00 0.00 N ATOM 284 CA SER A 20 -1.493 -17.008 -13.014 1.00 0.00 C ATOM 285 C SER A 20 -2.998 -17.284 -13.231 1.00 0.00 C ATOM 286 O SER A 20 -3.432 -18.439 -13.268 1.00 0.00 O ATOM 287 CB SER A 20 -0.851 -18.042 -12.055 1.00 0.00 C ATOM 288 OG SER A 20 -1.301 -17.868 -10.722 1.00 0.00 O ATOM 0 H SER A 20 -2.097 -15.278 -11.989 1.00 0.00 H new ATOM 0 HA SER A 20 -1.004 -17.099 -13.984 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.092 -19.050 -12.392 1.00 0.00 H new ATOM 0 HB3 SER A 20 0.234 -17.945 -12.089 1.00 0.00 H new ATOM 0 HG SER A 20 -0.878 -18.537 -10.144 1.00 0.00 H new ATOM 294 N ALA A 21 -3.775 -16.196 -13.437 1.00 0.00 N ATOM 295 CA ALA A 21 -5.229 -16.252 -13.705 1.00 0.00 C ATOM 296 C ALA A 21 -5.659 -15.031 -14.531 1.00 0.00 C ATOM 297 O ALA A 21 -5.158 -13.926 -14.315 1.00 0.00 O ATOM 298 CB ALA A 21 -6.033 -16.323 -12.394 1.00 0.00 C ATOM 0 H ALA A 21 -3.406 -15.245 -13.422 1.00 0.00 H new ATOM 0 HA ALA A 21 -5.437 -17.158 -14.275 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.098 -16.363 -12.622 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.747 -17.217 -11.840 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -5.824 -15.439 -11.791 1.00 0.00 H new ATOM 304 N VAL A 22 -6.586 -15.248 -15.473 1.00 0.00 N ATOM 305 CA VAL A 22 -7.175 -14.195 -16.311 1.00 0.00 C ATOM 306 C VAL A 22 -8.698 -14.444 -16.411 1.00 0.00 C ATOM 307 O VAL A 22 -9.153 -15.509 -16.857 1.00 0.00 O ATOM 308 CB VAL A 22 -6.482 -14.115 -17.737 1.00 0.00 C ATOM 309 CG1 VAL A 22 -6.511 -15.471 -18.487 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.096 -12.973 -18.596 1.00 0.00 C ATOM 0 H VAL A 22 -6.954 -16.177 -15.678 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.002 -13.223 -15.850 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.432 -13.879 -17.567 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -6.024 -15.361 -19.456 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -5.984 -16.223 -17.900 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -7.545 -15.784 -18.633 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.602 -12.942 -19.567 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.161 -13.156 -18.737 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.956 -12.019 -18.087 1.00 0.00 H new ATOM 320 N PHE A 23 -9.472 -13.465 -15.929 1.00 0.00 N ATOM 321 CA PHE A 23 -10.939 -13.547 -15.829 1.00 0.00 C ATOM 322 C PHE A 23 -11.538 -13.133 -17.171 1.00 0.00 C ATOM 323 O PHE A 23 -11.715 -11.933 -17.449 1.00 0.00 O ATOM 324 CB PHE A 23 -11.470 -12.644 -14.659 1.00 0.00 C ATOM 325 CG PHE A 23 -10.577 -12.653 -13.419 1.00 0.00 C ATOM 326 CD1 PHE A 23 -10.144 -13.855 -12.862 1.00 0.00 C ATOM 327 CD2 PHE A 23 -10.148 -11.462 -12.832 1.00 0.00 C ATOM 328 CE1 PHE A 23 -9.309 -13.864 -11.774 1.00 0.00 C ATOM 329 CE2 PHE A 23 -9.318 -11.476 -11.737 1.00 0.00 C ATOM 330 CZ PHE A 23 -8.897 -12.677 -11.209 1.00 0.00 C ATOM 0 H PHE A 23 -9.094 -12.580 -15.592 1.00 0.00 H new ATOM 0 HA PHE A 23 -11.240 -14.569 -15.600 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -11.567 -11.619 -15.018 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -12.469 -12.979 -14.379 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -10.470 -14.790 -13.292 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.472 -10.518 -13.243 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -8.974 -14.803 -11.359 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -8.996 -10.547 -11.291 1.00 0.00 H new ATOM 0 HZ PHE A 23 -8.242 -12.688 -10.350 1.00 0.00 H new ATOM 340 N GLN A 24 -11.782 -14.132 -18.025 1.00 0.00 N ATOM 341 CA GLN A 24 -12.318 -13.925 -19.372 1.00 0.00 C ATOM 342 C GLN A 24 -13.857 -13.795 -19.355 1.00 0.00 C ATOM 343 O GLN A 24 -14.523 -14.332 -18.453 1.00 0.00 O ATOM 344 CB GLN A 24 -11.831 -15.065 -20.325 1.00 0.00 C ATOM 345 CG GLN A 24 -10.481 -14.740 -20.983 1.00 0.00 C ATOM 346 CD GLN A 24 -9.994 -15.793 -21.979 1.00 0.00 C ATOM 347 OE1 GLN A 24 -10.258 -15.694 -23.181 1.00 0.00 O ATOM 348 NE2 GLN A 24 -9.292 -16.795 -21.500 1.00 0.00 N ATOM 0 H GLN A 24 -11.612 -15.112 -17.799 1.00 0.00 H new ATOM 0 HA GLN A 24 -11.935 -12.980 -19.758 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -11.743 -15.994 -19.761 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -12.579 -15.232 -21.100 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -10.562 -13.782 -21.496 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -9.730 -14.621 -20.203 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -9.092 -16.846 -20.501 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -8.947 -17.522 -22.127 1.00 0.00 H new ATOM 357 N PRO A 25 -14.454 -13.057 -20.357 1.00 0.00 N ATOM 358 CA PRO A 25 -13.728 -12.371 -21.477 1.00 0.00 C ATOM 359 C PRO A 25 -13.299 -10.917 -21.162 1.00 0.00 C ATOM 360 O PRO A 25 -12.992 -10.153 -22.085 1.00 0.00 O ATOM 361 CB PRO A 25 -14.798 -12.411 -22.582 1.00 0.00 C ATOM 362 CG PRO A 25 -16.068 -12.155 -21.838 1.00 0.00 C ATOM 363 CD PRO A 25 -15.922 -12.868 -20.498 1.00 0.00 C ATOM 0 HA PRO A 25 -12.780 -12.850 -21.720 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.618 -11.653 -23.344 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -14.816 -13.375 -23.090 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -16.228 -11.086 -21.696 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -16.927 -12.535 -22.391 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -16.329 -12.272 -19.681 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -16.451 -13.821 -20.492 1.00 0.00 H new ATOM 371 N CYS A 26 -13.268 -10.557 -19.855 1.00 0.00 N ATOM 372 CA CYS A 26 -12.952 -9.190 -19.405 1.00 0.00 C ATOM 373 C CYS A 26 -11.500 -8.797 -19.741 1.00 0.00 C ATOM 374 O CYS A 26 -11.270 -7.889 -20.552 1.00 0.00 O ATOM 375 CB CYS A 26 -13.205 -9.034 -17.889 1.00 0.00 C ATOM 376 SG CYS A 26 -12.676 -7.413 -17.243 1.00 0.00 S ATOM 0 H CYS A 26 -13.461 -11.206 -19.092 1.00 0.00 H new ATOM 0 HA CYS A 26 -13.617 -8.516 -19.945 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -14.267 -9.170 -17.687 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -12.675 -9.823 -17.355 1.00 0.00 H new ATOM 0 HG CYS A 26 -13.463 -7.055 -16.272 1.00 0.00 H new ATOM 381 N GLY A 27 -10.528 -9.497 -19.129 1.00 0.00 N ATOM 382 CA GLY A 27 -9.109 -9.177 -19.308 1.00 0.00 C ATOM 383 C GLY A 27 -8.369 -8.948 -17.997 1.00 0.00 C ATOM 384 O GLY A 27 -7.139 -9.005 -17.989 1.00 0.00 O ATOM 0 H GLY A 27 -10.704 -10.286 -18.508 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -8.627 -9.990 -19.851 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -9.021 -8.284 -19.927 1.00 0.00 H new ATOM 388 N HIS A 28 -9.110 -8.653 -16.895 1.00 0.00 N ATOM 389 CA HIS A 28 -8.497 -8.481 -15.551 1.00 0.00 C ATOM 390 C HIS A 28 -7.799 -9.773 -15.110 1.00 0.00 C ATOM 391 O HIS A 28 -8.270 -10.873 -15.402 1.00 0.00 O ATOM 392 CB HIS A 28 -9.527 -8.032 -14.472 1.00 0.00 C ATOM 393 CG HIS A 28 -9.779 -6.545 -14.432 1.00 0.00 C ATOM 394 ND1 HIS A 28 -11.049 -6.039 -14.360 1.00 0.00 N ATOM 395 CD2 HIS A 28 -8.889 -5.521 -14.409 1.00 0.00 C ATOM 396 CE1 HIS A 28 -10.900 -4.727 -14.290 1.00 0.00 C ATOM 397 NE2 HIS A 28 -9.614 -4.369 -14.313 1.00 0.00 N ATOM 0 H HIS A 28 -10.122 -8.531 -16.911 1.00 0.00 H new ATOM 0 HA HIS A 28 -7.761 -7.683 -15.642 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -10.472 -8.544 -14.654 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -9.173 -8.355 -13.493 1.00 0.00 H new ATOM 0 HD1 HIS A 28 -11.924 -6.563 -14.360 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -7.813 -5.602 -14.457 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -11.721 -4.028 -14.222 1.00 0.00 H new ATOM 405 N LYS A 29 -6.676 -9.614 -14.403 1.00 0.00 N ATOM 406 CA LYS A 29 -5.765 -10.706 -14.064 1.00 0.00 C ATOM 407 C LYS A 29 -5.308 -10.602 -12.593 1.00 0.00 C ATOM 408 O LYS A 29 -5.335 -9.516 -11.995 1.00 0.00 O ATOM 409 CB LYS A 29 -4.517 -10.663 -14.991 1.00 0.00 C ATOM 410 CG LYS A 29 -4.801 -10.743 -16.502 1.00 0.00 C ATOM 411 CD LYS A 29 -3.513 -10.734 -17.360 1.00 0.00 C ATOM 412 CE LYS A 29 -3.806 -10.654 -18.867 1.00 0.00 C ATOM 413 NZ LYS A 29 -4.520 -9.405 -19.235 1.00 0.00 N ATOM 0 H LYS A 29 -6.372 -8.708 -14.046 1.00 0.00 H new ATOM 0 HA LYS A 29 -6.296 -11.647 -14.204 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -3.971 -9.741 -14.791 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -3.858 -11.488 -14.720 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.365 -11.652 -16.713 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -5.431 -9.902 -16.793 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -2.893 -9.886 -17.069 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.937 -11.636 -17.153 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.869 -10.711 -19.421 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -4.405 -11.514 -19.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -4.621 -9.355 -20.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -5.462 -9.401 -18.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -3.978 -8.583 -18.900 1.00 0.00 H new ATOM 427 N SER A 30 -4.879 -11.751 -12.044 1.00 0.00 N ATOM 428 CA SER A 30 -4.236 -11.865 -10.721 1.00 0.00 C ATOM 429 C SER A 30 -3.652 -13.281 -10.581 1.00 0.00 C ATOM 430 O SER A 30 -3.760 -14.088 -11.507 1.00 0.00 O ATOM 431 CB SER A 30 -5.234 -11.573 -9.569 1.00 0.00 C ATOM 432 OG SER A 30 -6.238 -12.567 -9.490 1.00 0.00 O ATOM 0 H SER A 30 -4.971 -12.649 -12.518 1.00 0.00 H new ATOM 0 HA SER A 30 -3.442 -11.121 -10.649 1.00 0.00 H new ATOM 0 HB2 SER A 30 -4.695 -11.522 -8.623 1.00 0.00 H new ATOM 0 HB3 SER A 30 -5.697 -10.598 -9.725 1.00 0.00 H new ATOM 0 HG SER A 30 -6.394 -12.946 -10.380 1.00 0.00 H new ATOM 438 N CYS A 31 -3.011 -13.584 -9.439 1.00 0.00 N ATOM 439 CA CYS A 31 -2.583 -14.964 -9.133 1.00 0.00 C ATOM 440 C CYS A 31 -3.844 -15.820 -8.901 1.00 0.00 C ATOM 441 O CYS A 31 -4.826 -15.314 -8.346 1.00 0.00 O ATOM 442 CB CYS A 31 -1.652 -14.992 -7.897 1.00 0.00 C ATOM 443 SG CYS A 31 -2.483 -14.772 -6.293 1.00 0.00 S ATOM 0 H CYS A 31 -2.779 -12.901 -8.718 1.00 0.00 H new ATOM 0 HA CYS A 31 -2.013 -15.371 -9.968 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -1.120 -15.943 -7.885 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -0.902 -14.209 -8.010 1.00 0.00 H new ATOM 0 HG CYS A 31 -3.422 -13.880 -6.409 1.00 0.00 H new ATOM 448 N LYS A 32 -3.842 -17.088 -9.358 1.00 0.00 N ATOM 449 CA LYS A 32 -5.036 -17.972 -9.287 1.00 0.00 C ATOM 450 C LYS A 32 -5.482 -18.264 -7.844 1.00 0.00 C ATOM 451 O LYS A 32 -6.635 -18.628 -7.613 1.00 0.00 O ATOM 452 CB LYS A 32 -4.805 -19.274 -10.109 1.00 0.00 C ATOM 453 CG LYS A 32 -3.578 -20.149 -9.729 1.00 0.00 C ATOM 454 CD LYS A 32 -3.797 -21.070 -8.502 1.00 0.00 C ATOM 455 CE LYS A 32 -2.617 -22.021 -8.257 1.00 0.00 C ATOM 456 NZ LYS A 32 -2.317 -22.848 -9.451 1.00 0.00 N ATOM 0 H LYS A 32 -3.027 -17.530 -9.783 1.00 0.00 H new ATOM 0 HA LYS A 32 -5.866 -17.430 -9.742 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -5.699 -19.891 -10.022 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.710 -18.997 -11.159 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -3.309 -20.766 -10.586 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -2.730 -19.494 -9.529 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.954 -20.456 -7.615 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.705 -21.655 -8.649 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -1.734 -21.442 -7.985 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.844 -22.672 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.728 -23.659 -9.173 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.206 -23.192 -9.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.807 -22.274 -10.152 1.00 0.00 H new ATOM 470 N ALA A 33 -4.543 -18.098 -6.896 1.00 0.00 N ATOM 471 CA ALA A 33 -4.811 -18.188 -5.449 1.00 0.00 C ATOM 472 C ALA A 33 -5.878 -17.160 -5.010 1.00 0.00 C ATOM 473 O ALA A 33 -6.728 -17.469 -4.179 1.00 0.00 O ATOM 474 CB ALA A 33 -3.503 -17.995 -4.657 1.00 0.00 C ATOM 0 H ALA A 33 -3.567 -17.896 -7.114 1.00 0.00 H new ATOM 0 HA ALA A 33 -5.207 -19.181 -5.235 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -3.711 -18.063 -3.589 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.790 -18.770 -4.938 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -3.082 -17.015 -4.883 1.00 0.00 H new ATOM 480 N CYS A 34 -5.809 -15.945 -5.612 1.00 0.00 N ATOM 481 CA CYS A 34 -6.772 -14.843 -5.372 1.00 0.00 C ATOM 482 C CYS A 34 -8.204 -15.263 -5.710 1.00 0.00 C ATOM 483 O CYS A 34 -9.082 -15.169 -4.861 1.00 0.00 O ATOM 484 CB CYS A 34 -6.400 -13.549 -6.172 1.00 0.00 C ATOM 485 SG CYS A 34 -5.307 -12.407 -5.280 1.00 0.00 S ATOM 0 H CYS A 34 -5.079 -15.703 -6.281 1.00 0.00 H new ATOM 0 HA CYS A 34 -6.714 -14.615 -4.308 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -5.918 -13.839 -7.106 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -7.317 -13.023 -6.436 1.00 0.00 H new ATOM 0 HG CYS A 34 -4.353 -12.013 -6.070 1.00 0.00 H new ATOM 490 N ILE A 35 -8.422 -15.731 -6.954 1.00 0.00 N ATOM 491 CA ILE A 35 -9.775 -16.032 -7.455 1.00 0.00 C ATOM 492 C ILE A 35 -10.329 -17.324 -6.822 1.00 0.00 C ATOM 493 O ILE A 35 -11.518 -17.408 -6.551 1.00 0.00 O ATOM 494 CB ILE A 35 -9.836 -16.087 -9.030 1.00 0.00 C ATOM 495 CG1 ILE A 35 -11.311 -16.250 -9.546 1.00 0.00 C ATOM 496 CG2 ILE A 35 -8.912 -17.182 -9.612 1.00 0.00 C ATOM 497 CD1 ILE A 35 -12.261 -15.129 -9.132 1.00 0.00 C ATOM 0 H ILE A 35 -7.678 -15.908 -7.629 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.417 -15.206 -7.149 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.463 -15.129 -9.392 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -11.296 -16.311 -10.634 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.707 -17.197 -9.179 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.988 -17.182 -10.699 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.881 -16.981 -9.320 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -9.215 -18.156 -9.227 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -13.255 -15.327 -9.534 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -12.312 -15.079 -8.044 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -11.895 -14.179 -9.522 1.00 0.00 H new ATOM 509 N ASN A 36 -9.450 -18.302 -6.546 1.00 0.00 N ATOM 510 CA ASN A 36 -9.842 -19.551 -5.856 1.00 0.00 C ATOM 511 C ASN A 36 -10.353 -19.242 -4.429 1.00 0.00 C ATOM 512 O ASN A 36 -11.352 -19.810 -3.975 1.00 0.00 O ATOM 513 CB ASN A 36 -8.645 -20.536 -5.820 1.00 0.00 C ATOM 514 CG ASN A 36 -8.978 -21.888 -5.168 1.00 0.00 C ATOM 515 OD1 ASN A 36 -9.431 -22.824 -5.831 1.00 0.00 O ATOM 516 ND2 ASN A 36 -8.747 -22.007 -3.870 1.00 0.00 N ATOM 0 H ASN A 36 -8.461 -18.255 -6.789 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.656 -20.021 -6.408 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -8.298 -20.709 -6.838 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -7.821 -20.073 -5.277 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -8.944 -22.888 -3.396 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -8.372 -21.218 -3.344 1.00 0.00 H new ATOM 523 N GLN A 37 -9.661 -18.313 -3.752 1.00 0.00 N ATOM 524 CA GLN A 37 -10.034 -17.833 -2.409 1.00 0.00 C ATOM 525 C GLN A 37 -11.256 -16.881 -2.481 1.00 0.00 C ATOM 526 O GLN A 37 -12.044 -16.793 -1.536 1.00 0.00 O ATOM 527 CB GLN A 37 -8.817 -17.108 -1.777 1.00 0.00 C ATOM 528 CG GLN A 37 -8.997 -16.666 -0.313 1.00 0.00 C ATOM 529 CD GLN A 37 -7.786 -15.912 0.249 1.00 0.00 C ATOM 530 OE1 GLN A 37 -7.069 -15.224 -0.477 1.00 0.00 O ATOM 531 NE2 GLN A 37 -7.552 -16.027 1.545 1.00 0.00 N ATOM 0 H GLN A 37 -8.820 -17.869 -4.122 1.00 0.00 H new ATOM 0 HA GLN A 37 -10.315 -18.684 -1.789 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -7.952 -17.769 -1.835 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -8.587 -16.228 -2.378 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -9.878 -16.029 -0.239 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -9.186 -17.545 0.303 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -8.162 -16.604 2.124 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -6.761 -15.539 1.966 1.00 0.00 H new ATOM 540 N HIS A 38 -11.399 -16.186 -3.622 1.00 0.00 N ATOM 541 CA HIS A 38 -12.477 -15.207 -3.858 1.00 0.00 C ATOM 542 C HIS A 38 -13.826 -15.919 -3.988 1.00 0.00 C ATOM 543 O HIS A 38 -14.796 -15.504 -3.365 1.00 0.00 O ATOM 544 CB HIS A 38 -12.194 -14.375 -5.130 1.00 0.00 C ATOM 545 CG HIS A 38 -13.186 -13.268 -5.410 1.00 0.00 C ATOM 546 ND1 HIS A 38 -13.202 -12.123 -4.651 1.00 0.00 N ATOM 547 CD2 HIS A 38 -14.123 -13.159 -6.387 1.00 0.00 C ATOM 548 CE1 HIS A 38 -14.138 -11.356 -5.173 1.00 0.00 C ATOM 549 NE2 HIS A 38 -14.723 -11.936 -6.224 1.00 0.00 N ATOM 0 H HIS A 38 -10.765 -16.288 -4.414 1.00 0.00 H new ATOM 0 HA HIS A 38 -12.514 -14.532 -3.003 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -11.200 -13.937 -5.044 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -12.173 -15.048 -5.987 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -12.610 -11.910 -3.848 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -14.352 -13.893 -7.146 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -14.400 -10.378 -4.797 1.00 0.00 H new ATOM 557 N LEU A 39 -13.850 -17.018 -4.781 1.00 0.00 N ATOM 558 CA LEU A 39 -15.080 -17.795 -5.092 1.00 0.00 C ATOM 559 C LEU A 39 -15.741 -18.392 -3.831 1.00 0.00 C ATOM 560 O LEU A 39 -16.923 -18.749 -3.858 1.00 0.00 O ATOM 561 CB LEU A 39 -14.770 -18.904 -6.141 1.00 0.00 C ATOM 562 CG LEU A 39 -14.304 -18.400 -7.555 1.00 0.00 C ATOM 563 CD1 LEU A 39 -13.942 -19.578 -8.492 1.00 0.00 C ATOM 564 CD2 LEU A 39 -15.354 -17.469 -8.209 1.00 0.00 C ATOM 0 H LEU A 39 -13.013 -17.394 -5.226 1.00 0.00 H new ATOM 0 HA LEU A 39 -15.802 -17.098 -5.518 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -13.995 -19.555 -5.735 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -15.664 -19.515 -6.271 1.00 0.00 H new ATOM 0 HG LEU A 39 -13.399 -17.813 -7.399 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -13.625 -19.189 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -13.132 -20.158 -8.051 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -14.814 -20.217 -8.626 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -14.994 -17.143 -9.185 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -16.293 -18.009 -8.331 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -15.516 -16.599 -7.572 1.00 0.00 H new ATOM 576 N MET A 40 -14.960 -18.487 -2.740 1.00 0.00 N ATOM 577 CA MET A 40 -15.440 -18.904 -1.401 1.00 0.00 C ATOM 578 C MET A 40 -16.511 -17.937 -0.842 1.00 0.00 C ATOM 579 O MET A 40 -17.402 -18.354 -0.103 1.00 0.00 O ATOM 580 CB MET A 40 -14.242 -18.976 -0.417 1.00 0.00 C ATOM 581 CG MET A 40 -13.206 -20.060 -0.740 1.00 0.00 C ATOM 582 SD MET A 40 -13.813 -21.731 -0.413 1.00 0.00 S ATOM 583 CE MET A 40 -14.123 -21.671 1.356 1.00 0.00 C ATOM 0 H MET A 40 -13.963 -18.274 -2.759 1.00 0.00 H new ATOM 0 HA MET A 40 -15.901 -19.886 -1.506 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.742 -18.008 -0.405 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.626 -19.149 0.588 1.00 0.00 H new ATOM 0 HG2 MET A 40 -12.920 -19.981 -1.789 1.00 0.00 H new ATOM 0 HG3 MET A 40 -12.307 -19.883 -0.150 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.118 -22.683 1.761 1.00 0.00 H new ATOM 0 HE2 MET A 40 -13.345 -21.082 1.842 1.00 0.00 H new ATOM 0 HE3 MET A 40 -15.094 -21.212 1.540 1.00 0.00 H new ATOM 593 N ASN A 41 -16.394 -16.642 -1.185 1.00 0.00 N ATOM 594 CA ASN A 41 -17.296 -15.580 -0.678 1.00 0.00 C ATOM 595 C ASN A 41 -18.103 -14.938 -1.829 1.00 0.00 C ATOM 596 O ASN A 41 -19.339 -14.938 -1.804 1.00 0.00 O ATOM 597 CB ASN A 41 -16.483 -14.492 0.086 1.00 0.00 C ATOM 598 CG ASN A 41 -15.719 -15.016 1.313 1.00 0.00 C ATOM 599 OD1 ASN A 41 -16.081 -16.021 1.915 1.00 0.00 O ATOM 600 ND2 ASN A 41 -14.666 -14.323 1.707 1.00 0.00 N ATOM 0 H ASN A 41 -15.674 -16.297 -1.820 1.00 0.00 H new ATOM 0 HA ASN A 41 -18.001 -16.041 0.014 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -15.771 -14.037 -0.603 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -17.165 -13.704 0.407 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -14.137 -14.621 2.527 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -14.382 -13.490 1.192 1.00 0.00 H new ATOM 607 N ASN A 42 -17.392 -14.377 -2.830 1.00 0.00 N ATOM 608 CA ASN A 42 -18.000 -13.655 -3.988 1.00 0.00 C ATOM 609 C ASN A 42 -17.567 -14.293 -5.325 1.00 0.00 C ATOM 610 O ASN A 42 -16.566 -15.000 -5.382 1.00 0.00 O ATOM 611 CB ASN A 42 -17.563 -12.168 -3.961 1.00 0.00 C ATOM 612 CG ASN A 42 -17.923 -11.458 -2.657 1.00 0.00 C ATOM 613 OD1 ASN A 42 -17.127 -11.417 -1.718 1.00 0.00 O ATOM 614 ND2 ASN A 42 -19.131 -10.924 -2.572 1.00 0.00 N ATOM 0 H ASN A 42 -16.373 -14.408 -2.866 1.00 0.00 H new ATOM 0 HA ASN A 42 -19.085 -13.725 -3.906 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -16.485 -12.110 -4.113 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -18.031 -11.643 -4.794 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -19.425 -10.462 -1.711 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -19.768 -10.974 -3.367 1.00 0.00 H new ATOM 621 N LYS A 43 -18.323 -14.026 -6.411 1.00 0.00 N ATOM 622 CA LYS A 43 -17.962 -14.480 -7.776 1.00 0.00 C ATOM 623 C LYS A 43 -17.956 -13.271 -8.720 1.00 0.00 C ATOM 624 O LYS A 43 -18.756 -13.178 -9.658 1.00 0.00 O ATOM 625 CB LYS A 43 -18.925 -15.599 -8.283 1.00 0.00 C ATOM 626 CG LYS A 43 -18.947 -16.882 -7.415 1.00 0.00 C ATOM 627 CD LYS A 43 -19.727 -18.034 -8.088 1.00 0.00 C ATOM 628 CE LYS A 43 -19.111 -18.458 -9.438 1.00 0.00 C ATOM 629 NZ LYS A 43 -19.811 -19.617 -10.040 1.00 0.00 N ATOM 0 H LYS A 43 -19.193 -13.495 -6.371 1.00 0.00 H new ATOM 0 HA LYS A 43 -16.965 -14.919 -7.753 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -19.936 -15.194 -8.332 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -18.640 -15.870 -9.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -17.924 -17.204 -7.221 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -19.399 -16.656 -6.449 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -19.750 -18.893 -7.417 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -20.760 -17.725 -8.245 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -19.146 -17.617 -10.130 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -18.060 -18.708 -9.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -19.360 -19.863 -10.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -19.756 -20.430 -9.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -20.808 -19.373 -10.205 1.00 0.00 H new ATOM 643 N ASP A 44 -17.042 -12.335 -8.439 1.00 0.00 N ATOM 644 CA ASP A 44 -16.944 -11.047 -9.160 1.00 0.00 C ATOM 645 C ASP A 44 -15.497 -10.823 -9.642 1.00 0.00 C ATOM 646 O ASP A 44 -14.557 -11.393 -9.086 1.00 0.00 O ATOM 647 CB ASP A 44 -17.381 -9.892 -8.221 1.00 0.00 C ATOM 648 CG ASP A 44 -18.822 -10.039 -7.691 1.00 0.00 C ATOM 649 OD1 ASP A 44 -19.040 -10.773 -6.698 1.00 0.00 O ATOM 650 OD2 ASP A 44 -19.747 -9.435 -8.266 1.00 0.00 O ATOM 0 H ASP A 44 -16.344 -12.444 -7.703 1.00 0.00 H new ATOM 0 HA ASP A 44 -17.602 -11.068 -10.029 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -16.695 -9.843 -7.375 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -17.294 -8.947 -8.757 1.00 0.00 H new ATOM 655 N CYS A 45 -15.322 -9.972 -10.665 1.00 0.00 N ATOM 656 CA CYS A 45 -14.001 -9.704 -11.300 1.00 0.00 C ATOM 657 C CYS A 45 -13.238 -8.572 -10.583 1.00 0.00 C ATOM 658 O CYS A 45 -12.533 -7.778 -11.231 1.00 0.00 O ATOM 659 CB CYS A 45 -14.242 -9.368 -12.784 1.00 0.00 C ATOM 660 SG CYS A 45 -12.757 -9.112 -13.794 1.00 0.00 S ATOM 0 H CYS A 45 -16.088 -9.444 -11.084 1.00 0.00 H new ATOM 0 HA CYS A 45 -13.372 -10.590 -11.217 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -14.825 -10.175 -13.228 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -14.853 -8.467 -12.837 1.00 0.00 H new ATOM 0 HG CYS A 45 -11.926 -8.342 -13.156 1.00 0.00 H new ATOM 665 N PHE A 46 -13.369 -8.546 -9.235 1.00 0.00 N ATOM 666 CA PHE A 46 -12.646 -7.649 -8.319 1.00 0.00 C ATOM 667 C PHE A 46 -12.873 -6.151 -8.643 1.00 0.00 C ATOM 668 O PHE A 46 -13.795 -5.519 -8.109 1.00 0.00 O ATOM 669 CB PHE A 46 -11.121 -7.995 -8.267 1.00 0.00 C ATOM 670 CG PHE A 46 -10.792 -9.393 -7.740 1.00 0.00 C ATOM 671 CD1 PHE A 46 -10.709 -10.486 -8.603 1.00 0.00 C ATOM 672 CD2 PHE A 46 -10.557 -9.613 -6.385 1.00 0.00 C ATOM 673 CE1 PHE A 46 -10.397 -11.746 -8.127 1.00 0.00 C ATOM 674 CE2 PHE A 46 -10.243 -10.872 -5.914 1.00 0.00 C ATOM 675 CZ PHE A 46 -10.163 -11.936 -6.785 1.00 0.00 C ATOM 0 H PHE A 46 -14.005 -9.174 -8.744 1.00 0.00 H new ATOM 0 HA PHE A 46 -13.065 -7.818 -7.327 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -10.707 -7.895 -9.270 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.618 -7.259 -7.640 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -10.891 -10.346 -9.658 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -10.621 -8.787 -5.693 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -10.337 -12.581 -8.809 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -10.060 -11.023 -4.860 1.00 0.00 H new ATOM 0 HZ PHE A 46 -9.916 -12.920 -6.414 1.00 0.00 H new ATOM 685 N PHE A 47 -12.058 -5.635 -9.581 1.00 0.00 N ATOM 686 CA PHE A 47 -11.874 -4.198 -9.829 1.00 0.00 C ATOM 687 C PHE A 47 -13.078 -3.588 -10.563 1.00 0.00 C ATOM 688 O PHE A 47 -13.483 -2.457 -10.274 1.00 0.00 O ATOM 689 CB PHE A 47 -10.564 -3.992 -10.645 1.00 0.00 C ATOM 690 CG PHE A 47 -9.367 -4.787 -10.091 1.00 0.00 C ATOM 691 CD1 PHE A 47 -8.741 -4.411 -8.899 1.00 0.00 C ATOM 692 CD2 PHE A 47 -8.887 -5.926 -10.753 1.00 0.00 C ATOM 693 CE1 PHE A 47 -7.684 -5.146 -8.388 1.00 0.00 C ATOM 694 CE2 PHE A 47 -7.826 -6.653 -10.242 1.00 0.00 C ATOM 695 CZ PHE A 47 -7.224 -6.263 -9.061 1.00 0.00 C ATOM 0 H PHE A 47 -11.498 -6.221 -10.200 1.00 0.00 H new ATOM 0 HA PHE A 47 -11.796 -3.683 -8.872 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -10.739 -4.287 -11.680 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -10.313 -2.931 -10.654 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -9.086 -3.535 -8.369 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -9.352 -6.241 -11.675 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -7.218 -4.846 -7.461 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -7.468 -7.526 -10.767 1.00 0.00 H new ATOM 0 HZ PHE A 47 -6.395 -6.830 -8.664 1.00 0.00 H new ATOM 705 N CYS A 48 -13.637 -4.344 -11.523 1.00 0.00 N ATOM 706 CA CYS A 48 -14.804 -3.898 -12.325 1.00 0.00 C ATOM 707 C CYS A 48 -16.085 -4.651 -11.904 1.00 0.00 C ATOM 708 O CYS A 48 -17.154 -4.398 -12.463 1.00 0.00 O ATOM 709 CB CYS A 48 -14.539 -4.136 -13.828 1.00 0.00 C ATOM 710 SG CYS A 48 -14.685 -5.878 -14.327 1.00 0.00 S ATOM 0 H CYS A 48 -13.301 -5.275 -11.769 1.00 0.00 H new ATOM 0 HA CYS A 48 -14.949 -2.833 -12.144 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -15.241 -3.540 -14.411 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -13.538 -3.779 -14.073 1.00 0.00 H new ATOM 0 HG CYS A 48 -15.903 -6.118 -14.713 1.00 0.00 H new ATOM 715 N LYS A 49 -15.938 -5.602 -10.945 1.00 0.00 N ATOM 716 CA LYS A 49 -17.037 -6.397 -10.345 1.00 0.00 C ATOM 717 C LYS A 49 -17.750 -7.385 -11.329 1.00 0.00 C ATOM 718 O LYS A 49 -18.580 -8.176 -10.879 1.00 0.00 O ATOM 719 CB LYS A 49 -18.064 -5.446 -9.635 1.00 0.00 C ATOM 720 CG LYS A 49 -19.158 -6.157 -8.800 1.00 0.00 C ATOM 721 CD LYS A 49 -20.244 -5.208 -8.263 1.00 0.00 C ATOM 722 CE LYS A 49 -21.388 -5.975 -7.568 1.00 0.00 C ATOM 723 NZ LYS A 49 -22.404 -5.066 -6.987 1.00 0.00 N ATOM 0 H LYS A 49 -15.025 -5.842 -10.558 1.00 0.00 H new ATOM 0 HA LYS A 49 -16.568 -7.047 -9.607 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -17.515 -4.768 -8.981 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -18.550 -4.833 -10.394 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -19.630 -6.924 -9.414 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -18.687 -6.667 -7.960 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -19.797 -4.507 -7.558 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -20.650 -4.619 -9.085 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -21.867 -6.639 -8.288 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -20.974 -6.604 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -23.152 -5.627 -6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -21.955 -4.449 -6.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -22.820 -4.483 -7.741 1.00 0.00 H new ATOM 737 N THR A 50 -17.393 -7.390 -12.640 1.00 0.00 N ATOM 738 CA THR A 50 -18.059 -8.255 -13.658 1.00 0.00 C ATOM 739 C THR A 50 -18.108 -9.726 -13.192 1.00 0.00 C ATOM 740 O THR A 50 -17.066 -10.302 -12.896 1.00 0.00 O ATOM 741 CB THR A 50 -17.325 -8.181 -15.039 1.00 0.00 C ATOM 742 OG1 THR A 50 -17.136 -6.810 -15.410 1.00 0.00 O ATOM 743 CG2 THR A 50 -18.099 -8.917 -16.158 1.00 0.00 C ATOM 0 H THR A 50 -16.648 -6.806 -13.020 1.00 0.00 H new ATOM 0 HA THR A 50 -19.076 -7.880 -13.775 1.00 0.00 H new ATOM 0 HB THR A 50 -16.363 -8.680 -14.924 1.00 0.00 H new ATOM 0 HG1 THR A 50 -16.675 -6.765 -16.274 1.00 0.00 H new ATOM 0 HG21 THR A 50 -17.548 -8.836 -17.095 1.00 0.00 H new ATOM 0 HG22 THR A 50 -18.211 -9.968 -15.892 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.084 -8.466 -16.276 1.00 0.00 H new ATOM 751 N THR A 51 -19.321 -10.293 -13.086 1.00 0.00 N ATOM 752 CA THR A 51 -19.535 -11.670 -12.594 1.00 0.00 C ATOM 753 C THR A 51 -18.637 -12.672 -13.359 1.00 0.00 C ATOM 754 O THR A 51 -18.614 -12.654 -14.599 1.00 0.00 O ATOM 755 CB THR A 51 -21.033 -12.087 -12.754 1.00 0.00 C ATOM 756 OG1 THR A 51 -21.868 -11.065 -12.206 1.00 0.00 O ATOM 757 CG2 THR A 51 -21.351 -13.439 -12.066 1.00 0.00 C ATOM 0 H THR A 51 -20.184 -9.811 -13.339 1.00 0.00 H new ATOM 0 HA THR A 51 -19.270 -11.690 -11.537 1.00 0.00 H new ATOM 0 HB THR A 51 -21.226 -12.213 -13.819 1.00 0.00 H new ATOM 0 HG1 THR A 51 -22.808 -11.322 -12.306 1.00 0.00 H new ATOM 0 HG21 THR A 51 -22.404 -13.681 -12.208 1.00 0.00 H new ATOM 0 HG22 THR A 51 -20.736 -14.224 -12.506 1.00 0.00 H new ATOM 0 HG23 THR A 51 -21.136 -13.364 -11.000 1.00 0.00 H new ATOM 765 N ILE A 52 -17.874 -13.496 -12.605 1.00 0.00 N ATOM 766 CA ILE A 52 -16.900 -14.436 -13.172 1.00 0.00 C ATOM 767 C ILE A 52 -17.600 -15.452 -14.097 1.00 0.00 C ATOM 768 O ILE A 52 -18.304 -16.360 -13.631 1.00 0.00 O ATOM 769 CB ILE A 52 -16.087 -15.180 -12.042 1.00 0.00 C ATOM 770 CG1 ILE A 52 -15.272 -14.159 -11.177 1.00 0.00 C ATOM 771 CG2 ILE A 52 -15.149 -16.263 -12.637 1.00 0.00 C ATOM 772 CD1 ILE A 52 -14.178 -13.404 -11.934 1.00 0.00 C ATOM 0 H ILE A 52 -17.922 -13.522 -11.586 1.00 0.00 H new ATOM 0 HA ILE A 52 -16.190 -13.859 -13.764 1.00 0.00 H new ATOM 0 HB ILE A 52 -16.807 -15.682 -11.396 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -15.964 -13.434 -10.749 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -14.815 -14.694 -10.344 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -14.605 -16.755 -11.831 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -15.742 -17.001 -13.178 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -14.441 -15.795 -13.321 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -13.669 -12.721 -11.253 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -13.459 -14.116 -12.339 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -14.626 -12.836 -12.750 1.00 0.00 H new ATOM 784 N VAL A 53 -17.448 -15.223 -15.411 1.00 0.00 N ATOM 785 CA VAL A 53 -17.930 -16.139 -16.448 1.00 0.00 C ATOM 786 C VAL A 53 -16.976 -17.345 -16.514 1.00 0.00 C ATOM 787 O VAL A 53 -17.400 -18.490 -16.336 1.00 0.00 O ATOM 788 CB VAL A 53 -18.029 -15.419 -17.853 1.00 0.00 C ATOM 789 CG1 VAL A 53 -18.612 -16.356 -18.949 1.00 0.00 C ATOM 790 CG2 VAL A 53 -18.853 -14.105 -17.739 1.00 0.00 C ATOM 0 H VAL A 53 -16.985 -14.393 -15.782 1.00 0.00 H new ATOM 0 HA VAL A 53 -18.935 -16.476 -16.195 1.00 0.00 H new ATOM 0 HB VAL A 53 -17.016 -15.163 -18.162 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -18.662 -15.820 -19.897 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -17.970 -17.230 -19.060 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -19.613 -16.675 -18.660 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -18.909 -13.625 -18.716 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -19.859 -14.336 -17.390 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -18.369 -13.432 -17.031 1.00 0.00 H new ATOM 800 N SER A 54 -15.675 -17.059 -16.714 1.00 0.00 N ATOM 801 CA SER A 54 -14.629 -18.089 -16.794 1.00 0.00 C ATOM 802 C SER A 54 -13.268 -17.511 -16.373 1.00 0.00 C ATOM 803 O SER A 54 -13.022 -16.302 -16.484 1.00 0.00 O ATOM 804 CB SER A 54 -14.552 -18.667 -18.228 1.00 0.00 C ATOM 805 OG SER A 54 -13.639 -19.740 -18.314 1.00 0.00 O ATOM 0 H SER A 54 -15.323 -16.108 -16.824 1.00 0.00 H new ATOM 0 HA SER A 54 -14.886 -18.896 -16.108 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.541 -19.006 -18.536 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.254 -17.880 -18.921 1.00 0.00 H new ATOM 0 HG SER A 54 -12.892 -19.488 -18.896 1.00 0.00 H new ATOM 811 N VAL A 55 -12.394 -18.401 -15.867 1.00 0.00 N ATOM 812 CA VAL A 55 -11.004 -18.086 -15.491 1.00 0.00 C ATOM 813 C VAL A 55 -10.075 -19.087 -16.185 1.00 0.00 C ATOM 814 O VAL A 55 -10.282 -20.300 -16.094 1.00 0.00 O ATOM 815 CB VAL A 55 -10.759 -18.166 -13.932 1.00 0.00 C ATOM 816 CG1 VAL A 55 -9.292 -17.821 -13.554 1.00 0.00 C ATOM 817 CG2 VAL A 55 -11.748 -17.266 -13.166 1.00 0.00 C ATOM 0 H VAL A 55 -12.639 -19.378 -15.705 1.00 0.00 H new ATOM 0 HA VAL A 55 -10.801 -17.061 -15.802 1.00 0.00 H new ATOM 0 HB VAL A 55 -10.937 -19.200 -13.635 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.169 -17.889 -12.473 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.616 -18.524 -14.041 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -9.060 -16.808 -13.883 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -11.555 -17.342 -12.096 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -11.621 -16.232 -13.485 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -12.769 -17.587 -13.374 1.00 0.00 H new ATOM 827 N GLU A 56 -9.075 -18.563 -16.899 1.00 0.00 N ATOM 828 CA GLU A 56 -8.000 -19.368 -17.513 1.00 0.00 C ATOM 829 C GLU A 56 -6.696 -19.127 -16.748 1.00 0.00 C ATOM 830 O GLU A 56 -6.451 -18.012 -16.290 1.00 0.00 O ATOM 831 CB GLU A 56 -7.834 -19.010 -19.026 1.00 0.00 C ATOM 832 CG GLU A 56 -8.842 -19.689 -19.988 1.00 0.00 C ATOM 833 CD GLU A 56 -10.323 -19.483 -19.606 1.00 0.00 C ATOM 834 OE1 GLU A 56 -10.776 -18.321 -19.527 1.00 0.00 O ATOM 835 OE2 GLU A 56 -11.030 -20.480 -19.375 1.00 0.00 O ATOM 0 H GLU A 56 -8.982 -17.562 -17.072 1.00 0.00 H new ATOM 0 HA GLU A 56 -8.261 -20.425 -17.454 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -7.924 -17.929 -19.137 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -6.825 -19.280 -19.336 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -8.682 -19.303 -20.995 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -8.632 -20.758 -20.019 1.00 0.00 H new ATOM 842 N ASP A 57 -5.877 -20.182 -16.604 1.00 0.00 N ATOM 843 CA ASP A 57 -4.534 -20.074 -15.999 1.00 0.00 C ATOM 844 C ASP A 57 -3.653 -19.219 -16.922 1.00 0.00 C ATOM 845 O ASP A 57 -3.309 -19.656 -18.029 1.00 0.00 O ATOM 846 CB ASP A 57 -3.898 -21.483 -15.793 1.00 0.00 C ATOM 847 CG ASP A 57 -4.700 -22.370 -14.824 1.00 0.00 C ATOM 848 OD1 ASP A 57 -4.468 -22.292 -13.599 1.00 0.00 O ATOM 849 OD2 ASP A 57 -5.578 -23.140 -15.281 1.00 0.00 O ATOM 0 H ASP A 57 -6.122 -21.127 -16.900 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.614 -19.605 -15.018 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.821 -21.985 -16.757 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.883 -21.365 -15.413 1.00 0.00 H new ATOM 854 N TRP A 58 -3.378 -17.965 -16.509 1.00 0.00 N ATOM 855 CA TRP A 58 -2.500 -17.060 -17.263 1.00 0.00 C ATOM 856 C TRP A 58 -1.052 -17.580 -17.177 1.00 0.00 C ATOM 857 O TRP A 58 -0.348 -17.367 -16.183 1.00 0.00 O ATOM 858 CB TRP A 58 -2.619 -15.602 -16.747 1.00 0.00 C ATOM 859 CG TRP A 58 -1.836 -14.604 -17.580 1.00 0.00 C ATOM 860 CD1 TRP A 58 -2.211 -14.068 -18.787 1.00 0.00 C ATOM 861 CD2 TRP A 58 -0.541 -14.049 -17.287 1.00 0.00 C ATOM 862 NE1 TRP A 58 -1.240 -13.216 -19.243 1.00 0.00 N ATOM 863 CE2 TRP A 58 -0.206 -13.187 -18.342 1.00 0.00 C ATOM 864 CE3 TRP A 58 0.364 -14.198 -16.236 1.00 0.00 C ATOM 865 CZ2 TRP A 58 0.990 -12.472 -18.366 1.00 0.00 C ATOM 866 CZ3 TRP A 58 1.554 -13.494 -16.258 1.00 0.00 C ATOM 867 CH2 TRP A 58 1.862 -12.640 -17.321 1.00 0.00 C ATOM 0 H TRP A 58 -3.755 -17.559 -15.653 1.00 0.00 H new ATOM 0 HA TRP A 58 -2.808 -17.044 -18.309 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -3.670 -15.312 -16.738 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -2.268 -15.559 -15.716 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -3.135 -14.286 -19.301 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -1.280 -12.687 -20.114 1.00 0.00 H new ATOM 0 HE3 TRP A 58 0.137 -14.858 -15.412 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 1.223 -11.805 -19.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 2.254 -13.605 -15.443 1.00 0.00 H new ATOM 0 HH2 TRP A 58 2.800 -12.105 -17.319 1.00 0.00 H new