USER MOD reduce.3.24.130724 H: found=0, std=0, add=429, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 430 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 Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 16 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0531) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 SER OG : rot -67:sc= 0.14 USER MOD Single : A 44 ASN : amide:sc= -0.137 K(o=-0.14,f=-1.5!) USER MOD Single : A 45 SER OG : rot 180:sc= -0.0536 USER MOD Single : A 48 TYR OH : rot 180:sc= -0.864 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ -162:sc= 1.29 (180deg=0.935) USER MOD Single : A 58 MET CE :methyl -125:sc= -2.02 (180deg=-5.34!) USER MOD Single : A 59 GLN : amide:sc= -0.136 K(o=-0.14,f=-0.75) USER MOD ----------------------------------------------------------------- ATOM 82 N GLY A 9 -11.327 -5.925 8.078 1.00 0.00 N ATOM 83 CA GLY A 9 -10.595 -5.480 9.249 1.00 0.00 C ATOM 84 C GLY A 9 -9.186 -5.033 8.918 1.00 0.00 C ATOM 85 O GLY A 9 -8.645 -4.129 9.556 1.00 0.00 O ATOM 0 HA2 GLY A 9 -11.133 -4.656 9.718 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -10.554 -6.290 9.977 1.00 0.00 H new ATOM 89 N THR A 10 -8.586 -5.666 7.914 1.00 0.00 N ATOM 90 CA THR A 10 -7.230 -5.331 7.500 1.00 0.00 C ATOM 91 C THR A 10 -7.198 -4.008 6.741 1.00 0.00 C ATOM 92 O THR A 10 -6.366 -3.144 7.018 1.00 0.00 O ATOM 93 CB THR A 10 -6.625 -6.434 6.611 1.00 0.00 C ATOM 94 OG1 THR A 10 -6.652 -7.688 7.301 1.00 0.00 O ATOM 95 CG2 THR A 10 -5.193 -6.092 6.223 1.00 0.00 C ATOM 0 H THR A 10 -9.019 -6.414 7.373 1.00 0.00 H new ATOM 0 HA THR A 10 -6.635 -5.240 8.409 1.00 0.00 H new ATOM 0 HB THR A 10 -7.223 -6.507 5.702 1.00 0.00 H new ATOM 0 HG1 THR A 10 -6.267 -8.385 6.729 1.00 0.00 H new ATOM 0 HG21 THR A 10 -4.787 -6.885 5.595 1.00 0.00 H new ATOM 0 HG22 THR A 10 -5.180 -5.151 5.673 1.00 0.00 H new ATOM 0 HG23 THR A 10 -4.586 -5.994 7.123 1.00 0.00 H new ATOM 103 N ILE A 11 -8.108 -3.858 5.785 1.00 0.00 N ATOM 104 CA ILE A 11 -8.185 -2.640 4.989 1.00 0.00 C ATOM 105 C ILE A 11 -8.354 -1.412 5.877 1.00 0.00 C ATOM 106 O ILE A 11 -7.599 -0.445 5.768 1.00 0.00 O ATOM 107 CB ILE A 11 -9.351 -2.696 3.983 1.00 0.00 C ATOM 108 CG1 ILE A 11 -9.149 -3.851 3.000 1.00 0.00 C ATOM 109 CG2 ILE A 11 -9.473 -1.376 3.239 1.00 0.00 C ATOM 110 CD1 ILE A 11 -10.330 -4.792 2.922 1.00 0.00 C ATOM 0 H ILE A 11 -8.802 -4.565 5.543 1.00 0.00 H new ATOM 0 HA ILE A 11 -7.246 -2.563 4.441 1.00 0.00 H new ATOM 0 HB ILE A 11 -10.277 -2.868 4.532 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -8.954 -3.443 2.008 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.264 -4.416 3.292 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -10.301 -1.432 2.532 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -9.658 -0.572 3.952 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -8.548 -1.176 2.699 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -10.116 -5.586 2.206 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -10.513 -5.229 3.904 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -11.214 -4.241 2.600 1.00 0.00 H new ATOM 122 N ASP A 12 -9.348 -1.457 6.757 1.00 0.00 N ATOM 123 CA ASP A 12 -9.615 -0.350 7.667 1.00 0.00 C ATOM 124 C ASP A 12 -8.317 0.191 8.260 1.00 0.00 C ATOM 125 O ASP A 12 -8.214 1.377 8.572 1.00 0.00 O ATOM 126 CB ASP A 12 -10.553 -0.798 8.789 1.00 0.00 C ATOM 127 CG ASP A 12 -10.933 0.340 9.715 1.00 0.00 C ATOM 128 OD1 ASP A 12 -10.117 0.684 10.597 1.00 0.00 O ATOM 129 OD2 ASP A 12 -12.044 0.887 9.559 1.00 0.00 O ATOM 0 H ASP A 12 -9.983 -2.249 6.859 1.00 0.00 H new ATOM 0 HA ASP A 12 -10.095 0.447 7.099 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -11.456 -1.226 8.354 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.073 -1.588 9.367 1.00 0.00 H new ATOM 134 N GLN A 13 -7.330 -0.687 8.411 1.00 0.00 N ATOM 135 CA GLN A 13 -6.041 -0.297 8.968 1.00 0.00 C ATOM 136 C GLN A 13 -5.079 0.136 7.865 1.00 0.00 C ATOM 137 O GLN A 13 -4.352 1.119 8.010 1.00 0.00 O ATOM 138 CB GLN A 13 -5.434 -1.452 9.764 1.00 0.00 C ATOM 139 CG GLN A 13 -6.123 -1.700 11.097 1.00 0.00 C ATOM 140 CD GLN A 13 -5.246 -1.341 12.282 1.00 0.00 C ATOM 141 OE1 GLN A 13 -4.184 -1.930 12.483 1.00 0.00 O ATOM 142 NE2 GLN A 13 -5.689 -0.372 13.074 1.00 0.00 N ATOM 0 H GLN A 13 -7.399 -1.672 8.155 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.204 0.549 9.636 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -5.483 -2.361 9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -4.379 -1.244 9.943 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -7.043 -1.117 11.140 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -6.408 -2.750 11.165 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.575 0.089 12.869 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.143 -0.088 13.887 1.00 0.00 H new ATOM 151 N LEU A 14 -5.082 -0.605 6.762 1.00 0.00 N ATOM 152 CA LEU A 14 -4.210 -0.299 5.633 1.00 0.00 C ATOM 153 C LEU A 14 -4.415 1.137 5.160 1.00 0.00 C ATOM 154 O LEU A 14 -3.482 1.940 5.159 1.00 0.00 O ATOM 155 CB LEU A 14 -4.475 -1.270 4.481 1.00 0.00 C ATOM 156 CG LEU A 14 -3.701 -1.005 3.189 1.00 0.00 C ATOM 157 CD1 LEU A 14 -2.202 -1.069 3.441 1.00 0.00 C ATOM 158 CD2 LEU A 14 -4.106 -2.001 2.112 1.00 0.00 C ATOM 0 H LEU A 14 -5.678 -1.421 6.625 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.177 -0.409 5.963 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.241 -2.279 4.821 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -5.541 -1.250 4.253 1.00 0.00 H new ATOM 0 HG LEU A 14 -3.947 -0.002 2.840 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.668 -0.878 2.510 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -1.925 -0.317 4.179 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.938 -2.058 3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.546 -1.798 1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -3.890 -3.013 2.453 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.173 -1.906 1.911 1.00 0.00 H new ATOM 170 N VAL A 15 -5.643 1.454 4.761 1.00 0.00 N ATOM 171 CA VAL A 15 -5.971 2.794 4.291 1.00 0.00 C ATOM 172 C VAL A 15 -5.367 3.859 5.198 1.00 0.00 C ATOM 173 O VAL A 15 -4.638 4.740 4.740 1.00 0.00 O ATOM 174 CB VAL A 15 -7.495 3.004 4.214 1.00 0.00 C ATOM 175 CG1 VAL A 15 -7.825 4.486 4.111 1.00 0.00 C ATOM 176 CG2 VAL A 15 -8.081 2.236 3.039 1.00 0.00 C ATOM 0 H VAL A 15 -6.426 0.801 4.754 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.547 2.891 3.291 1.00 0.00 H new ATOM 0 HB VAL A 15 -7.944 2.619 5.130 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -8.906 4.615 4.058 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -7.440 5.006 4.988 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -7.365 4.900 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.158 2.396 3.001 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -7.628 2.588 2.112 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -7.877 1.172 3.161 1.00 0.00 H new ATOM 186 N LYS A 16 -5.673 3.773 6.487 1.00 0.00 N ATOM 187 CA LYS A 16 -5.159 4.729 7.462 1.00 0.00 C ATOM 188 C LYS A 16 -3.675 4.996 7.231 1.00 0.00 C ATOM 189 O LYS A 16 -3.191 6.106 7.457 1.00 0.00 O ATOM 190 CB LYS A 16 -5.378 4.206 8.884 1.00 0.00 C ATOM 191 CG LYS A 16 -4.125 3.630 9.520 1.00 0.00 C ATOM 192 CD LYS A 16 -4.460 2.759 10.720 1.00 0.00 C ATOM 193 CE LYS A 16 -3.519 3.029 11.884 1.00 0.00 C ATOM 194 NZ LYS A 16 -3.780 4.353 12.512 1.00 0.00 N ATOM 0 H LYS A 16 -6.275 3.051 6.882 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.703 5.665 7.338 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -5.751 5.019 9.507 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -6.151 3.438 8.865 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -3.579 3.041 8.783 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.467 4.442 9.830 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -5.488 2.946 11.031 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.398 1.708 10.437 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.632 2.244 12.632 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.488 2.990 11.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -3.267 4.416 13.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -3.456 5.109 11.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.800 4.460 12.685 1.00 0.00 H new ATOM 208 N ARG A 17 -2.957 3.972 6.779 1.00 0.00 N ATOM 209 CA ARG A 17 -1.528 4.098 6.517 1.00 0.00 C ATOM 210 C ARG A 17 -1.270 5.053 5.354 1.00 0.00 C ATOM 211 O ARG A 17 -0.650 6.103 5.525 1.00 0.00 O ATOM 212 CB ARG A 17 -0.922 2.728 6.210 1.00 0.00 C ATOM 213 CG ARG A 17 -1.232 1.675 7.260 1.00 0.00 C ATOM 214 CD ARG A 17 -0.253 0.514 7.192 1.00 0.00 C ATOM 215 NE ARG A 17 -0.228 -0.255 8.433 1.00 0.00 N ATOM 216 CZ ARG A 17 0.603 -1.268 8.655 1.00 0.00 C ATOM 217 NH1 ARG A 17 1.474 -1.630 7.723 1.00 0.00 N ATOM 218 NH2 ARG A 17 0.565 -1.919 9.810 1.00 0.00 N ATOM 0 H ARG A 17 -3.341 3.047 6.587 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.055 4.505 7.410 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.292 2.385 5.244 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.159 2.831 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -1.194 2.126 8.251 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -2.247 1.305 7.117 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -0.525 -0.142 6.365 1.00 0.00 H new ATOM 0 HD3 ARG A 17 0.746 0.895 6.981 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.885 -0.000 9.171 1.00 0.00 H new ATOM 0 HH11 ARG A 17 1.507 -1.131 6.834 1.00 0.00 H new ATOM 0 HH12 ARG A 17 2.111 -2.408 7.895 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -0.103 -1.642 10.530 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.204 -2.696 9.979 1.00 0.00 H new ATOM 232 N VAL A 18 -1.749 4.681 4.172 1.00 0.00 N ATOM 233 CA VAL A 18 -1.572 5.503 2.982 1.00 0.00 C ATOM 234 C VAL A 18 -2.054 6.929 3.222 1.00 0.00 C ATOM 235 O VAL A 18 -1.649 7.858 2.522 1.00 0.00 O ATOM 236 CB VAL A 18 -2.327 4.915 1.775 1.00 0.00 C ATOM 237 CG1 VAL A 18 -1.937 3.460 1.558 1.00 0.00 C ATOM 238 CG2 VAL A 18 -3.829 5.048 1.970 1.00 0.00 C ATOM 0 H VAL A 18 -2.263 3.815 4.013 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.504 5.515 2.763 1.00 0.00 H new ATOM 0 HB VAL A 18 -2.048 5.478 0.885 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.480 3.062 0.701 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -0.865 3.395 1.370 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.186 2.880 2.447 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.346 4.627 1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -4.128 4.511 2.870 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.091 6.101 2.072 1.00 0.00 H new ATOM 248 N ILE A 19 -2.920 7.096 4.216 1.00 0.00 N ATOM 249 CA ILE A 19 -3.457 8.410 4.549 1.00 0.00 C ATOM 250 C ILE A 19 -2.423 9.253 5.289 1.00 0.00 C ATOM 251 O ILE A 19 -2.074 10.349 4.850 1.00 0.00 O ATOM 252 CB ILE A 19 -4.725 8.297 5.415 1.00 0.00 C ATOM 253 CG1 ILE A 19 -5.854 7.636 4.621 1.00 0.00 C ATOM 254 CG2 ILE A 19 -5.152 9.670 5.911 1.00 0.00 C ATOM 255 CD1 ILE A 19 -6.511 8.562 3.621 1.00 0.00 C ATOM 0 H ILE A 19 -3.265 6.338 4.805 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.713 8.895 3.607 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.502 7.673 6.281 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -5.457 6.768 4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -6.610 7.269 5.316 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -6.050 9.573 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.352 10.106 6.509 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.361 10.316 5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.302 8.027 3.095 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.938 9.418 4.144 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.768 8.909 2.903 1.00 0.00 H new ATOM 267 N GLU A 20 -1.936 8.733 6.410 1.00 0.00 N ATOM 268 CA GLU A 20 -0.942 9.438 7.211 1.00 0.00 C ATOM 269 C GLU A 20 0.456 9.250 6.630 1.00 0.00 C ATOM 270 O GLU A 20 1.406 9.917 7.039 1.00 0.00 O ATOM 271 CB GLU A 20 -0.976 8.945 8.658 1.00 0.00 C ATOM 272 CG GLU A 20 -2.313 8.352 9.068 1.00 0.00 C ATOM 273 CD GLU A 20 -2.747 8.793 10.453 1.00 0.00 C ATOM 274 OE1 GLU A 20 -2.686 10.007 10.736 1.00 0.00 O ATOM 275 OE2 GLU A 20 -3.146 7.921 11.254 1.00 0.00 O ATOM 0 H GLU A 20 -2.213 7.826 6.785 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.185 10.500 7.192 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -0.198 8.194 8.795 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -0.738 9.776 9.322 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -3.073 8.644 8.343 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -2.247 7.264 9.041 1.00 0.00 H new ATOM 282 N GLY A 21 0.575 8.335 5.672 1.00 0.00 N ATOM 283 CA GLY A 21 1.860 8.073 5.050 1.00 0.00 C ATOM 284 C GLY A 21 2.747 7.186 5.903 1.00 0.00 C ATOM 285 O GLY A 21 3.865 6.854 5.509 1.00 0.00 O ATOM 0 H GLY A 21 -0.196 7.770 5.316 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.701 7.599 4.081 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.369 9.018 4.863 1.00 0.00 H new ATOM 289 N SER A 22 2.248 6.805 7.074 1.00 0.00 N ATOM 290 CA SER A 22 3.005 5.956 7.987 1.00 0.00 C ATOM 291 C SER A 22 3.753 4.868 7.223 1.00 0.00 C ATOM 292 O SER A 22 4.770 4.353 7.689 1.00 0.00 O ATOM 293 CB SER A 22 2.071 5.320 9.019 1.00 0.00 C ATOM 294 OG SER A 22 2.732 4.298 9.743 1.00 0.00 O ATOM 0 H SER A 22 1.323 7.070 7.413 1.00 0.00 H new ATOM 0 HA SER A 22 3.734 6.580 8.503 1.00 0.00 H new ATOM 0 HB2 SER A 22 1.711 6.084 9.708 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.196 4.907 8.517 1.00 0.00 H new ATOM 0 HG SER A 22 2.115 3.909 10.397 1.00 0.00 H new ATOM 300 N LEU A 23 3.242 4.522 6.047 1.00 0.00 N ATOM 301 CA LEU A 23 3.860 3.495 5.215 1.00 0.00 C ATOM 302 C LEU A 23 4.626 4.122 4.055 1.00 0.00 C ATOM 303 O LEU A 23 4.147 5.058 3.415 1.00 0.00 O ATOM 304 CB LEU A 23 2.796 2.536 4.679 1.00 0.00 C ATOM 305 CG LEU A 23 2.224 2.870 3.301 1.00 0.00 C ATOM 306 CD1 LEU A 23 1.663 1.621 2.639 1.00 0.00 C ATOM 307 CD2 LEU A 23 1.151 3.943 3.415 1.00 0.00 C ATOM 0 H LEU A 23 2.401 4.938 5.647 1.00 0.00 H new ATOM 0 HA LEU A 23 4.564 2.938 5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 23 3.225 1.535 4.639 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.973 2.502 5.393 1.00 0.00 H new ATOM 0 HG LEU A 23 3.031 3.256 2.678 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.260 1.878 1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.457 0.883 2.523 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.869 1.205 3.260 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.755 4.168 2.425 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.345 3.585 4.055 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.583 4.846 3.847 1.00 0.00 H new ATOM 319 N SER A 24 5.818 3.598 3.787 1.00 0.00 N ATOM 320 CA SER A 24 6.652 4.107 2.706 1.00 0.00 C ATOM 321 C SER A 24 5.875 4.145 1.393 1.00 0.00 C ATOM 322 O SER A 24 4.867 3.461 1.219 1.00 0.00 O ATOM 323 CB SER A 24 7.903 3.240 2.546 1.00 0.00 C ATOM 324 OG SER A 24 9.048 3.899 3.057 1.00 0.00 O ATOM 0 H SER A 24 6.228 2.820 4.305 1.00 0.00 H new ATOM 0 HA SER A 24 6.953 5.123 2.960 1.00 0.00 H new ATOM 0 HB2 SER A 24 7.762 2.293 3.067 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.054 3.005 1.492 1.00 0.00 H new ATOM 0 HG SER A 24 9.834 3.324 2.945 1.00 0.00 H new ATOM 330 N PRO A 25 6.355 4.965 0.446 1.00 0.00 N ATOM 331 CA PRO A 25 5.722 5.112 -0.868 1.00 0.00 C ATOM 332 C PRO A 25 5.878 3.864 -1.731 1.00 0.00 C ATOM 333 O PRO A 25 5.056 3.595 -2.606 1.00 0.00 O ATOM 334 CB PRO A 25 6.472 6.291 -1.492 1.00 0.00 C ATOM 335 CG PRO A 25 7.800 6.296 -0.817 1.00 0.00 C ATOM 336 CD PRO A 25 7.552 5.810 0.585 1.00 0.00 C ATOM 0 HA PRO A 25 4.646 5.268 -0.787 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.576 6.168 -2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.941 7.229 -1.328 1.00 0.00 H new ATOM 0 HG2 PRO A 25 8.505 5.647 -1.337 1.00 0.00 H new ATOM 0 HG3 PRO A 25 8.232 7.297 -0.813 1.00 0.00 H new ATOM 0 HD2 PRO A 25 8.401 5.245 0.970 1.00 0.00 H new ATOM 0 HD3 PRO A 25 7.382 6.638 1.273 1.00 0.00 H new ATOM 344 N LYS A 26 6.938 3.105 -1.477 1.00 0.00 N ATOM 345 CA LYS A 26 7.203 1.884 -2.230 1.00 0.00 C ATOM 346 C LYS A 26 6.356 0.728 -1.706 1.00 0.00 C ATOM 347 O LYS A 26 5.948 -0.148 -2.466 1.00 0.00 O ATOM 348 CB LYS A 26 8.687 1.520 -2.147 1.00 0.00 C ATOM 349 CG LYS A 26 9.097 0.417 -3.107 1.00 0.00 C ATOM 350 CD LYS A 26 9.704 0.983 -4.379 1.00 0.00 C ATOM 351 CE LYS A 26 11.008 0.284 -4.735 1.00 0.00 C ATOM 352 NZ LYS A 26 12.183 0.952 -4.110 1.00 0.00 N ATOM 0 H LYS A 26 7.628 3.313 -0.755 1.00 0.00 H new ATOM 0 HA LYS A 26 6.937 2.065 -3.272 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.283 2.409 -2.353 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.920 1.209 -1.129 1.00 0.00 H new ATOM 0 HG2 LYS A 26 9.817 -0.241 -2.621 1.00 0.00 H new ATOM 0 HG3 LYS A 26 8.228 -0.191 -3.357 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.996 0.874 -5.201 1.00 0.00 H new ATOM 0 HD3 LYS A 26 9.885 2.050 -4.253 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.964 -0.755 -4.408 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.130 0.273 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 13.052 0.446 -4.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 12.240 1.936 -4.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 12.079 0.941 -3.075 1.00 0.00 H new ATOM 366 N GLU A 27 6.094 0.736 -0.402 1.00 0.00 N ATOM 367 CA GLU A 27 5.295 -0.312 0.222 1.00 0.00 C ATOM 368 C GLU A 27 3.928 -0.423 -0.446 1.00 0.00 C ATOM 369 O GLU A 27 3.453 -1.523 -0.733 1.00 0.00 O ATOM 370 CB GLU A 27 5.122 -0.032 1.716 1.00 0.00 C ATOM 371 CG GLU A 27 5.931 -0.960 2.607 1.00 0.00 C ATOM 372 CD GLU A 27 5.159 -2.203 3.006 1.00 0.00 C ATOM 373 OE1 GLU A 27 4.030 -2.059 3.520 1.00 0.00 O ATOM 374 OE2 GLU A 27 5.684 -3.318 2.806 1.00 0.00 O ATOM 0 H GLU A 27 6.423 1.456 0.241 1.00 0.00 H new ATOM 0 HA GLU A 27 5.821 -1.258 0.096 1.00 0.00 H new ATOM 0 HB2 GLU A 27 5.413 0.999 1.920 1.00 0.00 H new ATOM 0 HB3 GLU A 27 4.067 -0.123 1.974 1.00 0.00 H new ATOM 0 HG2 GLU A 27 6.843 -1.254 2.087 1.00 0.00 H new ATOM 0 HG3 GLU A 27 6.236 -0.422 3.505 1.00 0.00 H new ATOM 381 N ARG A 28 3.300 0.722 -0.692 1.00 0.00 N ATOM 382 CA ARG A 28 1.987 0.753 -1.324 1.00 0.00 C ATOM 383 C ARG A 28 1.978 -0.082 -2.601 1.00 0.00 C ATOM 384 O ARG A 28 1.082 -0.900 -2.816 1.00 0.00 O ATOM 385 CB ARG A 28 1.584 2.195 -1.642 1.00 0.00 C ATOM 386 CG ARG A 28 1.237 3.015 -0.411 1.00 0.00 C ATOM 387 CD ARG A 28 0.651 4.367 -0.790 1.00 0.00 C ATOM 388 NE ARG A 28 -0.517 4.233 -1.656 1.00 0.00 N ATOM 389 CZ ARG A 28 -1.163 5.267 -2.184 1.00 0.00 C ATOM 390 NH1 ARG A 28 -0.755 6.504 -1.936 1.00 0.00 N ATOM 391 NH2 ARG A 28 -2.218 5.066 -2.963 1.00 0.00 N ATOM 0 H ARG A 28 3.680 1.641 -0.463 1.00 0.00 H new ATOM 0 HA ARG A 28 1.266 0.327 -0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.400 2.683 -2.175 1.00 0.00 H new ATOM 0 HB3 ARG A 28 0.726 2.184 -2.315 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.523 2.467 0.203 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.132 3.162 0.194 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.372 4.908 0.114 1.00 0.00 H new ATOM 0 HD3 ARG A 28 1.411 4.963 -1.296 1.00 0.00 H new ATOM 0 HE ARG A 28 -0.855 3.294 -1.867 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.056 6.663 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -1.253 7.296 -2.342 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -2.535 4.116 -3.158 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.712 5.861 -3.367 1.00 0.00 H new ATOM 405 N THR A 29 2.982 0.129 -3.447 1.00 0.00 N ATOM 406 CA THR A 29 3.090 -0.602 -4.702 1.00 0.00 C ATOM 407 C THR A 29 3.311 -2.090 -4.455 1.00 0.00 C ATOM 408 O THR A 29 2.861 -2.933 -5.232 1.00 0.00 O ATOM 409 CB THR A 29 4.242 -0.062 -5.571 1.00 0.00 C ATOM 410 OG1 THR A 29 3.848 1.165 -6.198 1.00 0.00 O ATOM 411 CG2 THR A 29 4.641 -1.074 -6.633 1.00 0.00 C ATOM 0 H THR A 29 3.732 0.801 -3.285 1.00 0.00 H new ATOM 0 HA THR A 29 2.148 -0.460 -5.231 1.00 0.00 H new ATOM 0 HB THR A 29 5.101 0.119 -4.925 1.00 0.00 H new ATOM 0 HG1 THR A 29 4.586 1.503 -6.747 1.00 0.00 H new ATOM 0 HG21 THR A 29 5.456 -0.669 -7.233 1.00 0.00 H new ATOM 0 HG22 THR A 29 4.968 -1.996 -6.152 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.786 -1.283 -7.276 1.00 0.00 H new ATOM 419 N LEU A 30 4.006 -2.408 -3.369 1.00 0.00 N ATOM 420 CA LEU A 30 4.286 -3.796 -3.018 1.00 0.00 C ATOM 421 C LEU A 30 3.033 -4.488 -2.489 1.00 0.00 C ATOM 422 O LEU A 30 2.876 -5.702 -2.630 1.00 0.00 O ATOM 423 CB LEU A 30 5.400 -3.864 -1.972 1.00 0.00 C ATOM 424 CG LEU A 30 6.741 -3.251 -2.379 1.00 0.00 C ATOM 425 CD1 LEU A 30 7.678 -3.178 -1.183 1.00 0.00 C ATOM 426 CD2 LEU A 30 7.374 -4.054 -3.505 1.00 0.00 C ATOM 0 H LEU A 30 4.386 -1.723 -2.716 1.00 0.00 H new ATOM 0 HA LEU A 30 4.611 -4.314 -3.920 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.054 -3.363 -1.068 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.565 -4.910 -1.713 1.00 0.00 H new ATOM 0 HG LEU A 30 6.562 -2.238 -2.738 1.00 0.00 H new ATOM 0 HD11 LEU A 30 8.627 -2.739 -1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.228 -2.561 -0.405 1.00 0.00 H new ATOM 0 HD13 LEU A 30 7.851 -4.182 -0.795 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.327 -3.604 -3.782 1.00 0.00 H new ATOM 0 HD22 LEU A 30 7.540 -5.079 -3.172 1.00 0.00 H new ATOM 0 HD23 LEU A 30 6.709 -4.056 -4.369 1.00 0.00 H new ATOM 438 N LEU A 31 2.144 -3.708 -1.884 1.00 0.00 N ATOM 439 CA LEU A 31 0.903 -4.245 -1.337 1.00 0.00 C ATOM 440 C LEU A 31 0.236 -5.193 -2.328 1.00 0.00 C ATOM 441 O LEU A 31 -0.263 -6.254 -1.950 1.00 0.00 O ATOM 442 CB LEU A 31 -0.054 -3.106 -0.979 1.00 0.00 C ATOM 443 CG LEU A 31 0.394 -2.185 0.156 1.00 0.00 C ATOM 444 CD1 LEU A 31 -0.604 -1.053 0.349 1.00 0.00 C ATOM 445 CD2 LEU A 31 0.564 -2.973 1.447 1.00 0.00 C ATOM 0 H LEU A 31 2.259 -2.702 -1.760 1.00 0.00 H new ATOM 0 HA LEU A 31 1.145 -4.805 -0.434 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.215 -2.499 -1.870 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.018 -3.539 -0.710 1.00 0.00 H new ATOM 0 HG LEU A 31 1.358 -1.752 -0.112 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.269 -0.407 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.677 -0.472 -0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -1.582 -1.468 0.595 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.883 -2.301 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.385 -3.434 1.720 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.316 -3.749 1.303 1.00 0.00 H new ATOM 457 N LYS A 32 0.233 -4.806 -3.598 1.00 0.00 N ATOM 458 CA LYS A 32 -0.369 -5.622 -4.645 1.00 0.00 C ATOM 459 C LYS A 32 0.328 -6.975 -4.750 1.00 0.00 C ATOM 460 O LYS A 32 -0.315 -7.999 -4.974 1.00 0.00 O ATOM 461 CB LYS A 32 -0.300 -4.896 -5.991 1.00 0.00 C ATOM 462 CG LYS A 32 -0.699 -3.433 -5.913 1.00 0.00 C ATOM 463 CD LYS A 32 -1.695 -3.067 -7.000 1.00 0.00 C ATOM 464 CE LYS A 32 -2.114 -1.608 -6.905 1.00 0.00 C ATOM 465 NZ LYS A 32 -1.620 -0.812 -8.063 1.00 0.00 N ATOM 0 H LYS A 32 0.641 -3.931 -3.928 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.414 -5.790 -4.383 1.00 0.00 H new ATOM 0 HB2 LYS A 32 0.715 -4.967 -6.381 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -0.951 -5.404 -6.702 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.134 -3.225 -4.935 1.00 0.00 H new ATOM 0 HG3 LYS A 32 0.189 -2.808 -6.006 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.253 -3.257 -7.978 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -2.575 -3.705 -6.918 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -3.201 -1.545 -6.858 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -1.730 -1.179 -5.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -1.927 0.177 -7.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -0.581 -0.851 -8.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -2.007 -1.205 -8.945 1.00 0.00 H new ATOM 479 N GLU A 33 1.648 -6.970 -4.586 1.00 0.00 N ATOM 480 CA GLU A 33 2.432 -8.197 -4.661 1.00 0.00 C ATOM 481 C GLU A 33 2.062 -9.149 -3.527 1.00 0.00 C ATOM 482 O GLU A 33 2.372 -10.339 -3.576 1.00 0.00 O ATOM 483 CB GLU A 33 3.927 -7.878 -4.608 1.00 0.00 C ATOM 484 CG GLU A 33 4.378 -6.895 -5.676 1.00 0.00 C ATOM 485 CD GLU A 33 5.858 -7.009 -5.985 1.00 0.00 C ATOM 486 OE1 GLU A 33 6.666 -6.395 -5.256 1.00 0.00 O ATOM 487 OE2 GLU A 33 6.208 -7.712 -6.956 1.00 0.00 O ATOM 0 H GLU A 33 2.196 -6.130 -4.400 1.00 0.00 H new ATOM 0 HA GLU A 33 2.206 -8.685 -5.609 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.168 -7.471 -3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.492 -8.804 -4.717 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.806 -7.067 -6.588 1.00 0.00 H new ATOM 0 HG3 GLU A 33 4.156 -5.880 -5.347 1.00 0.00 H new ATOM 494 N ASP A 34 1.400 -8.614 -2.507 1.00 0.00 N ATOM 495 CA ASP A 34 0.988 -9.415 -1.360 1.00 0.00 C ATOM 496 C ASP A 34 -0.391 -10.026 -1.590 1.00 0.00 C ATOM 497 O ASP A 34 -1.283 -9.404 -2.166 1.00 0.00 O ATOM 498 CB ASP A 34 0.975 -8.560 -0.092 1.00 0.00 C ATOM 499 CG ASP A 34 1.555 -9.289 1.104 1.00 0.00 C ATOM 500 OD1 ASP A 34 2.640 -9.892 0.963 1.00 0.00 O ATOM 501 OD2 ASP A 34 0.924 -9.259 2.182 1.00 0.00 O ATOM 0 H ASP A 34 1.137 -7.630 -2.451 1.00 0.00 H new ATOM 0 HA ASP A 34 1.708 -10.224 -1.236 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.543 -7.646 -0.267 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.049 -8.261 0.130 1.00 0.00 H new ATOM 506 N PRO A 35 -0.570 -11.273 -1.131 1.00 0.00 N ATOM 507 CA PRO A 35 -1.837 -11.995 -1.277 1.00 0.00 C ATOM 508 C PRO A 35 -2.942 -11.410 -0.403 1.00 0.00 C ATOM 509 O PRO A 35 -4.119 -11.457 -0.758 1.00 0.00 O ATOM 510 CB PRO A 35 -1.491 -13.415 -0.820 1.00 0.00 C ATOM 511 CG PRO A 35 -0.330 -13.245 0.097 1.00 0.00 C ATOM 512 CD PRO A 35 0.450 -12.074 -0.434 1.00 0.00 C ATOM 0 HA PRO A 35 -2.221 -11.941 -2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.333 -13.883 -0.310 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -1.237 -14.053 -1.667 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.663 -13.061 1.118 1.00 0.00 H new ATOM 0 HG3 PRO A 35 0.284 -14.145 0.120 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.924 -11.510 0.369 1.00 0.00 H new ATOM 0 HD3 PRO A 35 1.243 -12.393 -1.111 1.00 0.00 H new ATOM 520 N ALA A 36 -2.554 -10.858 0.742 1.00 0.00 N ATOM 521 CA ALA A 36 -3.511 -10.261 1.666 1.00 0.00 C ATOM 522 C ALA A 36 -4.268 -9.114 1.006 1.00 0.00 C ATOM 523 O ALA A 36 -5.383 -8.779 1.409 1.00 0.00 O ATOM 524 CB ALA A 36 -2.801 -9.774 2.920 1.00 0.00 C ATOM 0 H ALA A 36 -1.583 -10.812 1.052 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.235 -11.027 1.946 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -3.528 -9.331 3.601 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -2.311 -10.615 3.410 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -2.055 -9.027 2.649 1.00 0.00 H new ATOM 530 N TYR A 37 -3.657 -8.514 -0.009 1.00 0.00 N ATOM 531 CA TYR A 37 -4.273 -7.403 -0.724 1.00 0.00 C ATOM 532 C TYR A 37 -4.544 -7.773 -2.178 1.00 0.00 C ATOM 533 O TYR A 37 -4.139 -7.060 -3.098 1.00 0.00 O ATOM 534 CB TYR A 37 -3.373 -6.167 -0.660 1.00 0.00 C ATOM 535 CG TYR A 37 -2.901 -5.833 0.737 1.00 0.00 C ATOM 536 CD1 TYR A 37 -3.790 -5.375 1.702 1.00 0.00 C ATOM 537 CD2 TYR A 37 -1.566 -5.977 1.094 1.00 0.00 C ATOM 538 CE1 TYR A 37 -3.364 -5.069 2.980 1.00 0.00 C ATOM 539 CE2 TYR A 37 -1.131 -5.674 2.370 1.00 0.00 C ATOM 540 CZ TYR A 37 -2.033 -5.220 3.309 1.00 0.00 C ATOM 541 OH TYR A 37 -1.604 -4.916 4.581 1.00 0.00 O ATOM 0 H TYR A 37 -2.735 -8.779 -0.355 1.00 0.00 H new ATOM 0 HA TYR A 37 -5.225 -7.178 -0.243 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -2.505 -6.327 -1.299 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -3.914 -5.312 -1.066 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -4.833 -5.256 1.448 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.856 -6.332 0.362 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.069 -4.714 3.717 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.090 -5.792 2.631 1.00 0.00 H new ATOM 0 HH TYR A 37 -0.640 -5.078 4.649 1.00 0.00 H new ATOM 551 N TRP A 38 -5.232 -8.890 -2.379 1.00 0.00 N ATOM 552 CA TRP A 38 -5.559 -9.356 -3.722 1.00 0.00 C ATOM 553 C TRP A 38 -6.730 -8.569 -4.301 1.00 0.00 C ATOM 554 O TRP A 38 -6.786 -8.318 -5.505 1.00 0.00 O ATOM 555 CB TRP A 38 -5.894 -10.849 -3.699 1.00 0.00 C ATOM 556 CG TRP A 38 -7.097 -11.175 -2.866 1.00 0.00 C ATOM 557 CD1 TRP A 38 -7.103 -11.743 -1.624 1.00 0.00 C ATOM 558 CD2 TRP A 38 -8.467 -10.953 -3.217 1.00 0.00 C ATOM 559 NE1 TRP A 38 -8.396 -11.888 -1.181 1.00 0.00 N ATOM 560 CE2 TRP A 38 -9.252 -11.411 -2.139 1.00 0.00 C ATOM 561 CE3 TRP A 38 -9.108 -10.412 -4.334 1.00 0.00 C ATOM 562 CZ2 TRP A 38 -10.642 -11.344 -2.150 1.00 0.00 C ATOM 563 CZ3 TRP A 38 -10.488 -10.347 -4.344 1.00 0.00 C ATOM 564 CH2 TRP A 38 -11.243 -10.809 -3.257 1.00 0.00 C ATOM 0 H TRP A 38 -5.575 -9.491 -1.629 1.00 0.00 H new ATOM 0 HA TRP A 38 -4.688 -9.196 -4.357 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.064 -11.192 -4.720 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -5.035 -11.401 -3.316 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -6.222 -12.035 -1.072 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -8.674 -12.286 -0.284 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -8.535 -10.051 -5.175 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -11.226 -11.702 -1.315 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -10.994 -9.933 -5.204 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -12.320 -10.741 -3.294 1.00 0.00 H new ATOM 575 N PHE A 39 -7.662 -8.182 -3.437 1.00 0.00 N ATOM 576 CA PHE A 39 -8.832 -7.423 -3.864 1.00 0.00 C ATOM 577 C PHE A 39 -8.419 -6.183 -4.651 1.00 0.00 C ATOM 578 O PHE A 39 -9.131 -5.740 -5.554 1.00 0.00 O ATOM 579 CB PHE A 39 -9.670 -7.013 -2.651 1.00 0.00 C ATOM 580 CG PHE A 39 -8.916 -6.186 -1.651 1.00 0.00 C ATOM 581 CD1 PHE A 39 -8.653 -4.847 -1.896 1.00 0.00 C ATOM 582 CD2 PHE A 39 -8.466 -6.745 -0.466 1.00 0.00 C ATOM 583 CE1 PHE A 39 -7.959 -4.083 -0.979 1.00 0.00 C ATOM 584 CE2 PHE A 39 -7.772 -5.986 0.456 1.00 0.00 C ATOM 585 CZ PHE A 39 -7.516 -4.653 0.199 1.00 0.00 C ATOM 0 H PHE A 39 -7.630 -8.381 -2.437 1.00 0.00 H new ATOM 0 HA PHE A 39 -9.431 -8.062 -4.513 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -10.539 -6.451 -2.993 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -10.045 -7.910 -2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.995 -4.396 -2.816 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -8.660 -7.787 -0.261 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.763 -3.041 -1.182 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.430 -6.434 1.377 1.00 0.00 H new ATOM 0 HZ PHE A 39 -6.971 -4.058 0.917 1.00 0.00 H new ATOM 595 N LEU A 40 -7.263 -5.627 -4.305 1.00 0.00 N ATOM 596 CA LEU A 40 -6.753 -4.438 -4.979 1.00 0.00 C ATOM 597 C LEU A 40 -7.060 -4.484 -6.472 1.00 0.00 C ATOM 598 O LEU A 40 -7.574 -3.521 -7.041 1.00 0.00 O ATOM 599 CB LEU A 40 -5.245 -4.311 -4.760 1.00 0.00 C ATOM 600 CG LEU A 40 -4.796 -4.017 -3.328 1.00 0.00 C ATOM 601 CD1 LEU A 40 -3.281 -4.097 -3.216 1.00 0.00 C ATOM 602 CD2 LEU A 40 -5.293 -2.648 -2.884 1.00 0.00 C ATOM 0 H LEU A 40 -6.661 -5.981 -3.561 1.00 0.00 H new ATOM 0 HA LEU A 40 -7.250 -3.567 -4.552 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -4.772 -5.238 -5.085 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.870 -3.518 -5.407 1.00 0.00 H new ATOM 0 HG LEU A 40 -5.229 -4.771 -2.670 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.980 -3.885 -2.190 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.948 -5.097 -3.492 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -2.828 -3.366 -3.885 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.964 -2.455 -1.863 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.889 -1.882 -3.546 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -6.382 -2.625 -2.925 1.00 0.00 H new ATOM 614 N SER A 41 -6.743 -5.612 -7.101 1.00 0.00 N ATOM 615 CA SER A 41 -6.983 -5.784 -8.529 1.00 0.00 C ATOM 616 C SER A 41 -8.479 -5.830 -8.827 1.00 0.00 C ATOM 617 O SER A 41 -8.936 -5.315 -9.846 1.00 0.00 O ATOM 618 CB SER A 41 -6.313 -7.065 -9.030 1.00 0.00 C ATOM 619 OG SER A 41 -7.057 -8.211 -8.653 1.00 0.00 O ATOM 0 H SER A 41 -6.320 -6.420 -6.644 1.00 0.00 H new ATOM 0 HA SER A 41 -6.552 -4.929 -9.050 1.00 0.00 H new ATOM 0 HB2 SER A 41 -6.219 -7.029 -10.115 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.303 -7.134 -8.625 1.00 0.00 H new ATOM 0 HG SER A 41 -7.022 -8.318 -7.679 1.00 0.00 H new ATOM 625 N ASP A 42 -9.235 -6.451 -7.927 1.00 0.00 N ATOM 626 CA ASP A 42 -10.680 -6.564 -8.091 1.00 0.00 C ATOM 627 C ASP A 42 -11.371 -5.247 -7.753 1.00 0.00 C ATOM 628 O ASP A 42 -10.869 -4.463 -6.948 1.00 0.00 O ATOM 629 CB ASP A 42 -11.229 -7.684 -7.207 1.00 0.00 C ATOM 630 CG ASP A 42 -12.426 -8.377 -7.827 1.00 0.00 C ATOM 631 OD1 ASP A 42 -13.350 -7.671 -8.284 1.00 0.00 O ATOM 632 OD2 ASP A 42 -12.440 -9.626 -7.855 1.00 0.00 O ATOM 0 H ASP A 42 -8.871 -6.883 -7.078 1.00 0.00 H new ATOM 0 HA ASP A 42 -10.884 -6.802 -9.135 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -10.443 -8.417 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -11.513 -7.272 -6.238 1.00 0.00 H new ATOM 637 N GLU A 43 -12.522 -5.011 -8.373 1.00 0.00 N ATOM 638 CA GLU A 43 -13.280 -3.788 -8.137 1.00 0.00 C ATOM 639 C GLU A 43 -14.698 -4.106 -7.670 1.00 0.00 C ATOM 640 O GLU A 43 -15.269 -3.388 -6.851 1.00 0.00 O ATOM 641 CB GLU A 43 -13.329 -2.939 -9.409 1.00 0.00 C ATOM 642 CG GLU A 43 -12.070 -2.121 -9.644 1.00 0.00 C ATOM 643 CD GLU A 43 -12.346 -0.823 -10.379 1.00 0.00 C ATOM 644 OE1 GLU A 43 -13.015 0.057 -9.799 1.00 0.00 O ATOM 645 OE2 GLU A 43 -11.892 -0.688 -11.534 1.00 0.00 O ATOM 0 H GLU A 43 -12.950 -5.650 -9.043 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.776 -3.225 -7.351 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -13.493 -3.593 -10.266 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.184 -2.266 -9.354 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -11.601 -1.899 -8.685 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -11.357 -2.714 -10.217 1.00 0.00 H new ATOM 652 N ASN A 44 -15.259 -5.189 -8.200 1.00 0.00 N ATOM 653 CA ASN A 44 -16.610 -5.603 -7.839 1.00 0.00 C ATOM 654 C ASN A 44 -16.591 -6.513 -6.614 1.00 0.00 C ATOM 655 O ASN A 44 -17.202 -7.581 -6.612 1.00 0.00 O ATOM 656 CB ASN A 44 -17.275 -6.324 -9.013 1.00 0.00 C ATOM 657 CG ASN A 44 -18.081 -5.383 -9.887 1.00 0.00 C ATOM 658 OD1 ASN A 44 -18.651 -4.406 -9.404 1.00 0.00 O ATOM 659 ND2 ASN A 44 -18.131 -5.676 -11.182 1.00 0.00 N ATOM 0 H ASN A 44 -14.799 -5.795 -8.880 1.00 0.00 H new ATOM 0 HA ASN A 44 -17.185 -4.709 -7.597 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -16.510 -6.811 -9.617 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -17.927 -7.109 -8.631 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -18.658 -5.080 -11.820 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -17.642 -6.497 -11.538 1.00 0.00 H new ATOM 666 N SER A 45 -15.887 -6.080 -5.573 1.00 0.00 N ATOM 667 CA SER A 45 -15.785 -6.856 -4.342 1.00 0.00 C ATOM 668 C SER A 45 -16.023 -5.972 -3.123 1.00 0.00 C ATOM 669 O SER A 45 -16.248 -4.767 -3.247 1.00 0.00 O ATOM 670 CB SER A 45 -14.410 -7.520 -4.245 1.00 0.00 C ATOM 671 OG SER A 45 -13.374 -6.555 -4.291 1.00 0.00 O ATOM 0 H SER A 45 -15.379 -5.196 -5.557 1.00 0.00 H new ATOM 0 HA SER A 45 -16.553 -7.630 -4.364 1.00 0.00 H new ATOM 0 HB2 SER A 45 -14.341 -8.088 -3.317 1.00 0.00 H new ATOM 0 HB3 SER A 45 -14.287 -8.230 -5.063 1.00 0.00 H new ATOM 0 HG SER A 45 -12.505 -7.004 -4.226 1.00 0.00 H new ATOM 677 N LEU A 46 -15.973 -6.579 -1.941 1.00 0.00 N ATOM 678 CA LEU A 46 -16.183 -5.849 -0.697 1.00 0.00 C ATOM 679 C LEU A 46 -14.863 -5.313 -0.151 1.00 0.00 C ATOM 680 O LEU A 46 -14.765 -4.144 0.222 1.00 0.00 O ATOM 681 CB LEU A 46 -16.848 -6.754 0.343 1.00 0.00 C ATOM 682 CG LEU A 46 -16.514 -6.455 1.805 1.00 0.00 C ATOM 683 CD1 LEU A 46 -15.176 -7.072 2.184 1.00 0.00 C ATOM 684 CD2 LEU A 46 -16.500 -4.953 2.053 1.00 0.00 C ATOM 0 H LEU A 46 -15.789 -7.575 -1.819 1.00 0.00 H new ATOM 0 HA LEU A 46 -16.839 -5.004 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -17.929 -6.686 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -16.567 -7.785 0.131 1.00 0.00 H new ATOM 0 HG LEU A 46 -17.287 -6.899 2.432 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -14.955 -6.849 3.228 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -15.221 -8.152 2.046 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -14.392 -6.658 1.550 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -16.261 -4.759 3.099 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -15.749 -4.486 1.416 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -17.481 -4.537 1.822 1.00 0.00 H new ATOM 696 N GLU A 47 -13.852 -6.174 -0.110 1.00 0.00 N ATOM 697 CA GLU A 47 -12.538 -5.785 0.390 1.00 0.00 C ATOM 698 C GLU A 47 -12.006 -4.570 -0.367 1.00 0.00 C ATOM 699 O GLU A 47 -11.262 -3.759 0.184 1.00 0.00 O ATOM 700 CB GLU A 47 -11.554 -6.950 0.262 1.00 0.00 C ATOM 701 CG GLU A 47 -11.928 -8.158 1.104 1.00 0.00 C ATOM 702 CD GLU A 47 -10.731 -9.021 1.451 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.062 -8.728 2.464 1.00 0.00 O ATOM 704 OE2 GLU A 47 -10.461 -9.988 0.709 1.00 0.00 O ATOM 0 H GLU A 47 -13.917 -7.145 -0.417 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.641 -5.520 1.442 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -11.495 -7.251 -0.784 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.560 -6.609 0.552 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.407 -7.821 2.023 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -12.660 -8.759 0.565 1.00 0.00 H new ATOM 711 N TYR A 48 -12.392 -4.453 -1.632 1.00 0.00 N ATOM 712 CA TYR A 48 -11.953 -3.340 -2.466 1.00 0.00 C ATOM 713 C TYR A 48 -12.845 -2.120 -2.259 1.00 0.00 C ATOM 714 O TYR A 48 -12.414 -0.981 -2.446 1.00 0.00 O ATOM 715 CB TYR A 48 -11.961 -3.746 -3.941 1.00 0.00 C ATOM 716 CG TYR A 48 -11.558 -2.630 -4.877 1.00 0.00 C ATOM 717 CD1 TYR A 48 -12.494 -1.720 -5.349 1.00 0.00 C ATOM 718 CD2 TYR A 48 -10.239 -2.488 -5.293 1.00 0.00 C ATOM 719 CE1 TYR A 48 -12.132 -0.699 -6.205 1.00 0.00 C ATOM 720 CE2 TYR A 48 -9.867 -1.470 -6.150 1.00 0.00 C ATOM 721 CZ TYR A 48 -10.816 -0.578 -6.602 1.00 0.00 C ATOM 722 OH TYR A 48 -10.448 0.437 -7.455 1.00 0.00 O ATOM 0 H TYR A 48 -13.008 -5.115 -2.103 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.936 -3.079 -2.173 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -11.284 -4.589 -4.081 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -12.960 -4.091 -4.209 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -13.525 -1.812 -5.041 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -9.493 -3.185 -4.941 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -12.874 0.000 -6.561 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -8.838 -1.374 -6.464 1.00 0.00 H new ATOM 0 HH TYR A 48 -9.486 0.381 -7.634 1.00 0.00 H new ATOM 732 N LYS A 49 -14.092 -2.365 -1.870 1.00 0.00 N ATOM 733 CA LYS A 49 -15.046 -1.288 -1.635 1.00 0.00 C ATOM 734 C LYS A 49 -14.591 -0.401 -0.481 1.00 0.00 C ATOM 735 O LYS A 49 -15.023 0.746 -0.359 1.00 0.00 O ATOM 736 CB LYS A 49 -16.431 -1.864 -1.333 1.00 0.00 C ATOM 737 CG LYS A 49 -17.427 -1.677 -2.465 1.00 0.00 C ATOM 738 CD LYS A 49 -18.383 -2.854 -2.567 1.00 0.00 C ATOM 739 CE LYS A 49 -18.724 -3.172 -4.015 1.00 0.00 C ATOM 740 NZ LYS A 49 -20.123 -3.660 -4.161 1.00 0.00 N ATOM 0 H LYS A 49 -14.465 -3.301 -1.711 1.00 0.00 H new ATOM 0 HA LYS A 49 -15.100 -0.680 -2.538 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -16.334 -2.928 -1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -16.824 -1.391 -0.433 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -17.994 -0.760 -2.304 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -16.891 -1.560 -3.407 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -17.935 -3.730 -2.097 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -19.297 -2.630 -2.018 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -18.585 -2.280 -4.625 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -18.035 -3.927 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -20.316 -3.866 -5.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -20.249 -4.526 -3.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -20.782 -2.930 -3.824 1.00 0.00 H new ATOM 754 N TYR A 50 -13.716 -0.936 0.362 1.00 0.00 N ATOM 755 CA TYR A 50 -13.203 -0.192 1.507 1.00 0.00 C ATOM 756 C TYR A 50 -11.995 0.650 1.112 1.00 0.00 C ATOM 757 O TYR A 50 -12.006 1.874 1.251 1.00 0.00 O ATOM 758 CB TYR A 50 -12.822 -1.152 2.636 1.00 0.00 C ATOM 759 CG TYR A 50 -14.005 -1.641 3.440 1.00 0.00 C ATOM 760 CD1 TYR A 50 -15.192 -2.007 2.816 1.00 0.00 C ATOM 761 CD2 TYR A 50 -13.936 -1.740 4.825 1.00 0.00 C ATOM 762 CE1 TYR A 50 -16.275 -2.454 3.547 1.00 0.00 C ATOM 763 CE2 TYR A 50 -15.015 -2.187 5.563 1.00 0.00 C ATOM 764 CZ TYR A 50 -16.181 -2.542 4.919 1.00 0.00 C ATOM 765 OH TYR A 50 -17.258 -2.989 5.652 1.00 0.00 O ATOM 0 H TYR A 50 -13.346 -1.883 0.275 1.00 0.00 H new ATOM 0 HA TYR A 50 -13.990 0.476 1.857 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -12.302 -2.011 2.211 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -12.120 -0.653 3.304 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -15.269 -1.941 1.741 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -13.024 -1.463 5.332 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -17.190 -2.733 3.046 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -14.945 -2.258 6.638 1.00 0.00 H new ATOM 0 HH TYR A 50 -17.027 -2.992 6.604 1.00 0.00 H new ATOM 775 N TYR A 51 -10.956 -0.012 0.617 1.00 0.00 N ATOM 776 CA TYR A 51 -9.739 0.675 0.202 1.00 0.00 C ATOM 777 C TYR A 51 -10.067 1.929 -0.602 1.00 0.00 C ATOM 778 O TYR A 51 -9.342 2.922 -0.550 1.00 0.00 O ATOM 779 CB TYR A 51 -8.858 -0.261 -0.629 1.00 0.00 C ATOM 780 CG TYR A 51 -7.622 0.408 -1.186 1.00 0.00 C ATOM 781 CD1 TYR A 51 -6.535 0.696 -0.369 1.00 0.00 C ATOM 782 CD2 TYR A 51 -7.541 0.754 -2.529 1.00 0.00 C ATOM 783 CE1 TYR A 51 -5.403 1.307 -0.874 1.00 0.00 C ATOM 784 CE2 TYR A 51 -6.413 1.365 -3.043 1.00 0.00 C ATOM 785 CZ TYR A 51 -5.348 1.639 -2.212 1.00 0.00 C ATOM 786 OH TYR A 51 -4.224 2.248 -2.719 1.00 0.00 O ATOM 0 H TYR A 51 -10.932 -1.024 0.493 1.00 0.00 H new ATOM 0 HA TYR A 51 -9.197 0.973 1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -8.556 -1.106 -0.011 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -9.446 -0.663 -1.454 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -6.576 0.438 0.679 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.374 0.542 -3.183 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.567 1.523 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -6.366 1.626 -4.090 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.346 2.414 -3.677 1.00 0.00 H new ATOM 796 N LYS A 52 -11.167 1.876 -1.345 1.00 0.00 N ATOM 797 CA LYS A 52 -11.597 3.006 -2.159 1.00 0.00 C ATOM 798 C LYS A 52 -12.513 3.932 -1.365 1.00 0.00 C ATOM 799 O LYS A 52 -12.489 5.151 -1.546 1.00 0.00 O ATOM 800 CB LYS A 52 -12.319 2.511 -3.415 1.00 0.00 C ATOM 801 CG LYS A 52 -11.385 1.937 -4.467 1.00 0.00 C ATOM 802 CD LYS A 52 -10.438 2.994 -5.008 1.00 0.00 C ATOM 803 CE LYS A 52 -10.729 3.308 -6.468 1.00 0.00 C ATOM 804 NZ LYS A 52 -11.535 4.551 -6.618 1.00 0.00 N ATOM 0 H LYS A 52 -11.778 1.061 -1.400 1.00 0.00 H new ATOM 0 HA LYS A 52 -10.710 3.567 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -13.044 1.749 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.880 3.338 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.809 1.118 -4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.971 1.519 -5.286 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -10.528 3.903 -4.414 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.409 2.648 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -9.790 3.417 -7.010 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -11.263 2.472 -6.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.712 4.730 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -12.442 4.438 -6.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -11.015 5.354 -6.210 1.00 0.00 H new ATOM 818 N LEU A 53 -13.317 3.347 -0.485 1.00 0.00 N ATOM 819 CA LEU A 53 -14.241 4.121 0.339 1.00 0.00 C ATOM 820 C LEU A 53 -13.512 4.768 1.513 1.00 0.00 C ATOM 821 O LEU A 53 -13.329 5.985 1.549 1.00 0.00 O ATOM 822 CB LEU A 53 -15.368 3.225 0.855 1.00 0.00 C ATOM 823 CG LEU A 53 -16.205 3.793 2.002 1.00 0.00 C ATOM 824 CD1 LEU A 53 -15.687 3.287 3.341 1.00 0.00 C ATOM 825 CD2 LEU A 53 -16.198 5.313 1.965 1.00 0.00 C ATOM 0 H LEU A 53 -13.349 2.340 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 53 -14.667 4.910 -0.280 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -16.035 2.998 0.023 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -14.933 2.280 1.182 1.00 0.00 H new ATOM 0 HG LEU A 53 -17.233 3.452 1.881 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -16.294 3.701 4.146 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -15.745 2.199 3.366 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -14.651 3.598 3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -16.799 5.700 2.788 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -15.174 5.675 2.061 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -16.616 5.656 1.019 1.00 0.00 H new ATOM 837 N LYS A 54 -13.097 3.946 2.470 1.00 0.00 N ATOM 838 CA LYS A 54 -12.384 4.436 3.644 1.00 0.00 C ATOM 839 C LYS A 54 -11.343 5.480 3.252 1.00 0.00 C ATOM 840 O LYS A 54 -11.205 6.511 3.913 1.00 0.00 O ATOM 841 CB LYS A 54 -11.707 3.275 4.377 1.00 0.00 C ATOM 842 CG LYS A 54 -11.523 3.520 5.865 1.00 0.00 C ATOM 843 CD LYS A 54 -12.782 3.180 6.645 1.00 0.00 C ATOM 844 CE LYS A 54 -12.722 3.726 8.063 1.00 0.00 C ATOM 845 NZ LYS A 54 -13.668 3.018 8.970 1.00 0.00 N ATOM 0 H LYS A 54 -13.242 2.936 2.456 1.00 0.00 H new ATOM 0 HA LYS A 54 -13.109 4.904 4.309 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -12.301 2.372 4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -10.733 3.089 3.925 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.692 2.919 6.234 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -11.260 4.564 6.033 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -13.651 3.591 6.132 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -12.912 2.098 6.675 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -11.707 3.627 8.448 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -12.957 4.790 8.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -13.828 3.592 9.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -14.573 2.868 8.479 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -13.265 2.099 9.243 1.00 0.00 H new ATOM 859 N LEU A 55 -10.616 5.208 2.175 1.00 0.00 N ATOM 860 CA LEU A 55 -9.588 6.125 1.694 1.00 0.00 C ATOM 861 C LEU A 55 -10.188 7.485 1.352 1.00 0.00 C ATOM 862 O LEU A 55 -9.619 8.526 1.679 1.00 0.00 O ATOM 863 CB LEU A 55 -8.888 5.540 0.467 1.00 0.00 C ATOM 864 CG LEU A 55 -7.677 6.318 -0.050 1.00 0.00 C ATOM 865 CD1 LEU A 55 -6.569 6.335 0.992 1.00 0.00 C ATOM 866 CD2 LEU A 55 -7.176 5.717 -1.356 1.00 0.00 C ATOM 0 H LEU A 55 -10.719 4.360 1.618 1.00 0.00 H new ATOM 0 HA LEU A 55 -8.857 6.261 2.491 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -8.568 4.526 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.617 5.463 -0.340 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.983 7.347 -0.240 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.716 6.893 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.933 6.812 1.902 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -6.263 5.313 1.215 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.314 6.283 -1.710 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.886 4.679 -1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -7.969 5.758 -2.103 1.00 0.00 H new ATOM 878 N ALA A 56 -11.342 7.467 0.693 1.00 0.00 N ATOM 879 CA ALA A 56 -12.023 8.698 0.311 1.00 0.00 C ATOM 880 C ALA A 56 -12.384 9.530 1.536 1.00 0.00 C ATOM 881 O ALA A 56 -11.969 10.683 1.658 1.00 0.00 O ATOM 882 CB ALA A 56 -13.271 8.382 -0.500 1.00 0.00 C ATOM 0 H ALA A 56 -11.825 6.613 0.413 1.00 0.00 H new ATOM 0 HA ALA A 56 -11.341 9.284 -0.305 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -13.769 9.311 -0.778 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -12.991 7.837 -1.401 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -13.948 7.772 0.098 1.00 0.00 H new ATOM 888 N GLU A 57 -13.157 8.938 2.441 1.00 0.00 N ATOM 889 CA GLU A 57 -13.573 9.627 3.657 1.00 0.00 C ATOM 890 C GLU A 57 -12.365 10.018 4.502 1.00 0.00 C ATOM 891 O GLU A 57 -12.416 10.978 5.271 1.00 0.00 O ATOM 892 CB GLU A 57 -14.517 8.740 4.474 1.00 0.00 C ATOM 893 CG GLU A 57 -13.854 7.486 5.017 1.00 0.00 C ATOM 894 CD GLU A 57 -14.424 7.058 6.355 1.00 0.00 C ATOM 895 OE1 GLU A 57 -13.950 7.566 7.392 1.00 0.00 O ATOM 896 OE2 GLU A 57 -15.346 6.214 6.365 1.00 0.00 O ATOM 0 H GLU A 57 -13.507 7.984 2.355 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.100 10.536 3.367 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.917 9.319 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -15.363 8.453 3.850 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -13.975 6.675 4.299 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -12.783 7.662 5.122 1.00 0.00 H new ATOM 903 N MET A 58 -11.279 9.265 4.355 1.00 0.00 N ATOM 904 CA MET A 58 -10.057 9.532 5.105 1.00 0.00 C ATOM 905 C MET A 58 -9.235 10.628 4.432 1.00 0.00 C ATOM 906 O MET A 58 -8.542 11.394 5.099 1.00 0.00 O ATOM 907 CB MET A 58 -9.222 8.257 5.232 1.00 0.00 C ATOM 908 CG MET A 58 -9.681 7.340 6.355 1.00 0.00 C ATOM 909 SD MET A 58 -8.345 6.321 7.010 1.00 0.00 S ATOM 910 CE MET A 58 -7.370 7.554 7.870 1.00 0.00 C ATOM 0 H MET A 58 -11.221 8.466 3.724 1.00 0.00 H new ATOM 0 HA MET A 58 -10.339 9.873 6.101 1.00 0.00 H new ATOM 0 HB2 MET A 58 -9.261 7.711 4.289 1.00 0.00 H new ATOM 0 HB3 MET A 58 -8.180 8.530 5.399 1.00 0.00 H new ATOM 0 HG2 MET A 58 -10.102 7.941 7.161 1.00 0.00 H new ATOM 0 HG3 MET A 58 -10.479 6.694 5.988 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.342 7.523 7.508 1.00 0.00 H new ATOM 0 HE2 MET A 58 -7.790 8.543 7.686 1.00 0.00 H new ATOM 0 HE3 MET A 58 -7.384 7.347 8.940 1.00 0.00 H new ATOM 920 N GLN A 59 -9.317 10.693 3.107 1.00 0.00 N ATOM 921 CA GLN A 59 -8.579 11.693 2.345 1.00 0.00 C ATOM 922 C GLN A 59 -9.283 13.045 2.398 1.00 0.00 C ATOM 923 O GLN A 59 -8.642 14.083 2.566 1.00 0.00 O ATOM 924 CB GLN A 59 -8.422 11.244 0.891 1.00 0.00 C ATOM 925 CG GLN A 59 -7.185 10.394 0.647 1.00 0.00 C ATOM 926 CD GLN A 59 -6.443 10.793 -0.612 1.00 0.00 C ATOM 927 OE1 GLN A 59 -6.343 11.976 -0.941 1.00 0.00 O ATOM 928 NE2 GLN A 59 -5.914 9.806 -1.327 1.00 0.00 N ATOM 0 H GLN A 59 -9.887 10.065 2.539 1.00 0.00 H new ATOM 0 HA GLN A 59 -7.591 11.799 2.794 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -9.306 10.678 0.597 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -8.380 12.125 0.250 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -6.515 10.481 1.502 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -7.477 9.346 0.576 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -6.020 8.839 -1.019 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -5.402 10.015 -2.184 1.00 0.00 H new