USER MOD reduce.3.24.130724 H: found=0, std=0, add=545, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 545 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 20 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 57 CYS SG : rot 180:sc= -2.28 USER MOD Set 2.2: A 59 GLN : amide:sc= 0 K(o=-2.3,f=-3.3) USER MOD Single : A 8 THR OG1 : rot 103:sc= 1.28 USER MOD Single : A 9 SER OG : rot -150:sc= -0.127 USER MOD Single : A 10 THR OG1 : rot -22:sc= 0.943 USER MOD Single : A 16 MET CE :methyl -168:sc= -0.0235 (180deg=-0.234) USER MOD Single : A 17 THR OG1 : rot 47:sc= 0.483 USER MOD Single : A 18 CYS SG : rot 180:sc= 0.0607 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 21 CYS SG : rot -13:sc= 0.267 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 150:sc= 1.36 USER MOD Single : A 30 SER OG : rot -68:sc= 1.16 USER MOD Single : A 31 ASN :FLIP amide:sc= -0.0528 F(o=-1.3!,f=-0.053) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 144:sc= -1.91! USER MOD Single : A 38 MET CE :methyl -142:sc= 0 (180deg=-0.721) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= -0.0753 X(o=-0.075,f=-0.11) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.233 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -0:sc= 0.249 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.252 K(o=-0.25,f=-0.78) USER MOD Single : A 62 CYS SG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 64 GLN : amide:sc= -1.34 K(o=-1.3,f=-1.9) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 71 N VAL A 6 5.321 -10.181 -1.181 1.00 0.00 N ATOM 72 CA VAL A 6 4.585 -9.206 -0.433 1.00 0.00 C ATOM 73 C VAL A 6 5.466 -7.997 -0.209 1.00 0.00 C ATOM 74 O VAL A 6 6.528 -8.096 0.413 1.00 0.00 O ATOM 75 CB VAL A 6 4.127 -9.784 0.926 1.00 0.00 C ATOM 76 CG1 VAL A 6 3.362 -8.752 1.723 1.00 0.00 C ATOM 77 CG2 VAL A 6 3.284 -11.036 0.721 1.00 0.00 C ATOM 0 HA VAL A 6 3.695 -8.922 -0.995 1.00 0.00 H new ATOM 0 HB VAL A 6 5.017 -10.057 1.493 1.00 0.00 H new ATOM 0 HG11 VAL A 6 3.051 -9.184 2.674 1.00 0.00 H new ATOM 0 HG12 VAL A 6 4.001 -7.888 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 6 2.482 -8.438 1.162 1.00 0.00 H new ATOM 0 HG21 VAL A 6 2.972 -11.427 1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 6 2.403 -10.789 0.129 1.00 0.00 H new ATOM 0 HG23 VAL A 6 3.873 -11.790 0.198 1.00 0.00 H new ATOM 87 N ALA A 7 5.042 -6.865 -0.717 1.00 0.00 N ATOM 88 CA ALA A 7 5.825 -5.662 -0.616 1.00 0.00 C ATOM 89 C ALA A 7 5.013 -4.529 -0.038 1.00 0.00 C ATOM 90 O ALA A 7 3.792 -4.470 -0.209 1.00 0.00 O ATOM 91 CB ALA A 7 6.377 -5.279 -1.981 1.00 0.00 C ATOM 0 H ALA A 7 4.154 -6.754 -1.207 1.00 0.00 H new ATOM 0 HA ALA A 7 6.658 -5.855 0.060 1.00 0.00 H new ATOM 0 HB1 ALA A 7 6.968 -4.367 -1.892 1.00 0.00 H new ATOM 0 HB2 ALA A 7 7.007 -6.084 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 7 5.552 -5.110 -2.673 1.00 0.00 H new ATOM 97 N THR A 8 5.685 -3.645 0.654 1.00 0.00 N ATOM 98 CA THR A 8 5.050 -2.497 1.231 1.00 0.00 C ATOM 99 C THR A 8 5.363 -1.268 0.405 1.00 0.00 C ATOM 100 O THR A 8 6.354 -1.241 -0.335 1.00 0.00 O ATOM 101 CB THR A 8 5.517 -2.266 2.683 1.00 0.00 C ATOM 102 OG1 THR A 8 6.950 -2.145 2.722 1.00 0.00 O ATOM 103 CG2 THR A 8 5.074 -3.408 3.586 1.00 0.00 C ATOM 0 H THR A 8 6.688 -3.704 0.831 1.00 0.00 H new ATOM 0 HA THR A 8 3.975 -2.678 1.239 1.00 0.00 H new ATOM 0 HB THR A 8 5.063 -1.344 3.045 1.00 0.00 H new ATOM 0 HG1 THR A 8 7.196 -1.201 2.817 1.00 0.00 H new ATOM 0 HG21 THR A 8 5.416 -3.221 4.604 1.00 0.00 H new ATOM 0 HG22 THR A 8 3.986 -3.479 3.576 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.502 -4.344 3.226 1.00 0.00 H new ATOM 111 N SER A 9 4.511 -0.285 0.495 1.00 0.00 N ATOM 112 CA SER A 9 4.714 0.955 -0.190 1.00 0.00 C ATOM 113 C SER A 9 3.988 2.056 0.548 1.00 0.00 C ATOM 114 O SER A 9 2.914 1.829 1.117 1.00 0.00 O ATOM 115 CB SER A 9 4.203 0.857 -1.635 1.00 0.00 C ATOM 116 OG SER A 9 4.426 2.065 -2.347 1.00 0.00 O ATOM 0 H SER A 9 3.655 -0.324 1.048 1.00 0.00 H new ATOM 0 HA SER A 9 5.780 1.180 -0.219 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.705 0.035 -2.145 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.138 0.627 -1.631 1.00 0.00 H new ATOM 0 HG SER A 9 3.730 2.177 -3.028 1.00 0.00 H new ATOM 122 N THR A 10 4.571 3.225 0.571 1.00 0.00 N ATOM 123 CA THR A 10 3.934 4.352 1.185 1.00 0.00 C ATOM 124 C THR A 10 3.708 5.425 0.151 1.00 0.00 C ATOM 125 O THR A 10 4.520 5.602 -0.751 1.00 0.00 O ATOM 126 CB THR A 10 4.766 4.917 2.363 1.00 0.00 C ATOM 127 OG1 THR A 10 6.085 5.274 1.923 1.00 0.00 O ATOM 128 CG2 THR A 10 4.865 3.903 3.492 1.00 0.00 C ATOM 0 H THR A 10 5.488 3.419 0.170 1.00 0.00 H new ATOM 0 HA THR A 10 2.979 4.019 1.591 1.00 0.00 H new ATOM 0 HB THR A 10 4.258 5.808 2.732 1.00 0.00 H new ATOM 0 HG1 THR A 10 6.298 4.787 1.100 1.00 0.00 H new ATOM 0 HG21 THR A 10 5.454 4.323 4.308 1.00 0.00 H new ATOM 0 HG22 THR A 10 3.865 3.662 3.853 1.00 0.00 H new ATOM 0 HG23 THR A 10 5.347 2.997 3.126 1.00 0.00 H new ATOM 136 N VAL A 11 2.613 6.121 0.264 1.00 0.00 N ATOM 137 CA VAL A 11 2.298 7.167 -0.673 1.00 0.00 C ATOM 138 C VAL A 11 1.925 8.442 0.060 1.00 0.00 C ATOM 139 O VAL A 11 1.024 8.449 0.897 1.00 0.00 O ATOM 140 CB VAL A 11 1.158 6.733 -1.649 1.00 0.00 C ATOM 141 CG1 VAL A 11 -0.095 6.309 -0.893 1.00 0.00 C ATOM 142 CG2 VAL A 11 0.838 7.840 -2.639 1.00 0.00 C ATOM 0 H VAL A 11 1.919 5.984 0.999 1.00 0.00 H new ATOM 0 HA VAL A 11 3.188 7.360 -1.272 1.00 0.00 H new ATOM 0 HB VAL A 11 1.518 5.868 -2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.867 6.014 -1.604 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.140 5.467 -0.242 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -0.456 7.143 -0.291 1.00 0.00 H new ATOM 0 HG21 VAL A 11 0.041 7.512 -3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 11 0.515 8.730 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.728 8.074 -3.223 1.00 0.00 H new ATOM 152 N ARG A 12 2.639 9.511 -0.232 1.00 0.00 N ATOM 153 CA ARG A 12 2.366 10.783 0.392 1.00 0.00 C ATOM 154 C ARG A 12 1.371 11.555 -0.425 1.00 0.00 C ATOM 155 O ARG A 12 1.305 11.388 -1.639 1.00 0.00 O ATOM 156 CB ARG A 12 3.637 11.599 0.601 1.00 0.00 C ATOM 157 CG ARG A 12 4.319 12.101 -0.662 1.00 0.00 C ATOM 158 CD ARG A 12 5.530 12.934 -0.286 1.00 0.00 C ATOM 159 NE ARG A 12 6.246 13.480 -1.437 1.00 0.00 N ATOM 160 CZ ARG A 12 7.305 14.292 -1.326 1.00 0.00 C ATOM 161 NH1 ARG A 12 7.751 14.636 -0.126 1.00 0.00 N ATOM 162 NH2 ARG A 12 7.909 14.761 -2.412 1.00 0.00 N ATOM 0 H ARG A 12 3.412 9.521 -0.898 1.00 0.00 H new ATOM 0 HA ARG A 12 1.944 10.586 1.377 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.395 12.458 1.226 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.349 10.990 1.158 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.623 11.259 -1.284 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.623 12.698 -1.252 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.210 13.755 0.355 1.00 0.00 H new ATOM 0 HD3 ARG A 12 6.215 12.320 0.299 1.00 0.00 H new ATOM 0 HE ARG A 12 5.923 13.230 -2.372 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.288 14.282 0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.558 15.254 -0.040 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.567 14.503 -3.338 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.715 15.379 -2.320 1.00 0.00 H new ATOM 176 N ILE A 13 0.604 12.392 0.228 1.00 0.00 N ATOM 177 CA ILE A 13 -0.424 13.147 -0.448 1.00 0.00 C ATOM 178 C ILE A 13 -0.297 14.635 -0.181 1.00 0.00 C ATOM 179 O ILE A 13 0.100 15.058 0.911 1.00 0.00 O ATOM 180 CB ILE A 13 -1.831 12.665 -0.028 1.00 0.00 C ATOM 181 CG1 ILE A 13 -2.016 12.804 1.490 1.00 0.00 C ATOM 182 CG2 ILE A 13 -2.046 11.228 -0.465 1.00 0.00 C ATOM 183 CD1 ILE A 13 -3.406 12.458 1.973 1.00 0.00 C ATOM 0 H ILE A 13 0.672 12.569 1.230 1.00 0.00 H new ATOM 0 HA ILE A 13 -0.290 12.977 -1.516 1.00 0.00 H new ATOM 0 HB ILE A 13 -2.575 13.291 -0.520 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.296 12.159 1.994 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -1.785 13.829 1.782 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.041 10.901 -0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -1.955 11.160 -1.549 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -1.297 10.589 0.003 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.456 12.581 3.055 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.131 13.119 1.499 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.634 11.424 1.714 1.00 0.00 H new ATOM 195 N LEU A 14 -0.613 15.416 -1.185 1.00 0.00 N ATOM 196 CA LEU A 14 -0.602 16.849 -1.074 1.00 0.00 C ATOM 197 C LEU A 14 -1.904 17.406 -1.624 1.00 0.00 C ATOM 198 O LEU A 14 -2.186 17.291 -2.820 1.00 0.00 O ATOM 199 CB LEU A 14 0.592 17.439 -1.835 1.00 0.00 C ATOM 200 CG LEU A 14 0.715 18.966 -1.807 1.00 0.00 C ATOM 201 CD1 LEU A 14 0.907 19.468 -0.383 1.00 0.00 C ATOM 202 CD2 LEU A 14 1.859 19.422 -2.693 1.00 0.00 C ATOM 0 H LEU A 14 -0.886 15.071 -2.105 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.505 17.125 -0.024 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.507 17.013 -1.424 1.00 0.00 H new ATOM 0 HB3 LEU A 14 0.530 17.118 -2.875 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.212 19.390 -2.193 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.992 20.555 -0.389 1.00 0.00 H new ATOM 0 HD12 LEU A 14 0.051 19.174 0.225 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.816 19.035 0.036 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.932 20.509 -2.662 1.00 0.00 H new ATOM 0 HD22 LEU A 14 2.792 18.985 -2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.676 19.100 -3.718 1.00 0.00 H new ATOM 214 N GLY A 15 -2.698 17.984 -0.753 1.00 0.00 N ATOM 215 CA GLY A 15 -3.953 18.557 -1.162 1.00 0.00 C ATOM 216 C GLY A 15 -4.643 19.239 -0.014 1.00 0.00 C ATOM 217 O GLY A 15 -4.330 18.969 1.145 1.00 0.00 O ATOM 0 H GLY A 15 -2.495 18.068 0.243 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.783 19.275 -1.965 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.598 17.776 -1.564 1.00 0.00 H new ATOM 221 N MET A 16 -5.570 20.125 -0.319 1.00 0.00 N ATOM 222 CA MET A 16 -6.293 20.845 0.717 1.00 0.00 C ATOM 223 C MET A 16 -7.204 19.904 1.497 1.00 0.00 C ATOM 224 O MET A 16 -7.307 19.995 2.720 1.00 0.00 O ATOM 225 CB MET A 16 -7.088 21.997 0.115 1.00 0.00 C ATOM 226 CG MET A 16 -6.211 23.068 -0.520 1.00 0.00 C ATOM 227 SD MET A 16 -4.987 23.751 0.622 1.00 0.00 S ATOM 228 CE MET A 16 -6.046 24.536 1.836 1.00 0.00 C ATOM 0 H MET A 16 -5.842 20.365 -1.272 1.00 0.00 H new ATOM 0 HA MET A 16 -5.566 21.262 1.414 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.771 21.603 -0.638 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.700 22.453 0.893 1.00 0.00 H new ATOM 0 HG2 MET A 16 -5.697 22.644 -1.383 1.00 0.00 H new ATOM 0 HG3 MET A 16 -6.844 23.875 -0.890 1.00 0.00 H new ATOM 0 HE1 MET A 16 -5.446 25.177 2.482 1.00 0.00 H new ATOM 0 HE2 MET A 16 -6.799 25.137 1.327 1.00 0.00 H new ATOM 0 HE3 MET A 16 -6.538 23.772 2.438 1.00 0.00 H new ATOM 238 N THR A 17 -7.847 18.990 0.788 1.00 0.00 N ATOM 239 CA THR A 17 -8.699 18.010 1.422 1.00 0.00 C ATOM 240 C THR A 17 -8.069 16.619 1.338 1.00 0.00 C ATOM 241 O THR A 17 -8.404 15.809 0.461 1.00 0.00 O ATOM 242 CB THR A 17 -10.125 18.004 0.818 1.00 0.00 C ATOM 243 OG1 THR A 17 -10.054 17.981 -0.613 1.00 0.00 O ATOM 244 CG2 THR A 17 -10.907 19.229 1.270 1.00 0.00 C ATOM 0 H THR A 17 -7.792 18.910 -0.227 1.00 0.00 H new ATOM 0 HA THR A 17 -8.795 18.289 2.471 1.00 0.00 H new ATOM 0 HB THR A 17 -10.640 17.110 1.170 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.409 17.300 -0.898 1.00 0.00 H new ATOM 0 HG21 THR A 17 -11.906 19.204 0.834 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.986 19.230 2.357 1.00 0.00 H new ATOM 0 HG23 THR A 17 -10.390 20.131 0.943 1.00 0.00 H new ATOM 252 N CYS A 18 -7.126 16.371 2.238 1.00 0.00 N ATOM 253 CA CYS A 18 -6.389 15.118 2.281 1.00 0.00 C ATOM 254 C CYS A 18 -7.278 13.927 2.666 1.00 0.00 C ATOM 255 O CYS A 18 -7.091 12.816 2.166 1.00 0.00 O ATOM 256 CB CYS A 18 -5.207 15.251 3.244 1.00 0.00 C ATOM 257 SG CYS A 18 -5.667 15.769 4.914 1.00 0.00 S ATOM 0 H CYS A 18 -6.851 17.037 2.960 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.019 14.914 1.276 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -4.690 14.293 3.302 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -4.498 15.971 2.835 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.600 15.850 5.652 1.00 0.00 H new ATOM 263 N GLN A 19 -8.251 14.161 3.532 1.00 0.00 N ATOM 264 CA GLN A 19 -9.146 13.096 3.972 1.00 0.00 C ATOM 265 C GLN A 19 -9.951 12.560 2.792 1.00 0.00 C ATOM 266 O GLN A 19 -10.166 11.351 2.663 1.00 0.00 O ATOM 267 CB GLN A 19 -10.087 13.596 5.072 1.00 0.00 C ATOM 268 CG GLN A 19 -10.958 12.510 5.678 1.00 0.00 C ATOM 269 CD GLN A 19 -11.860 13.030 6.778 1.00 0.00 C ATOM 270 OE1 GLN A 19 -12.307 14.174 6.745 1.00 0.00 O ATOM 271 NE2 GLN A 19 -12.119 12.197 7.766 1.00 0.00 N ATOM 0 H GLN A 19 -8.443 15.074 3.944 1.00 0.00 H new ATOM 0 HA GLN A 19 -8.540 12.288 4.381 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -9.494 14.056 5.863 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -10.729 14.375 4.661 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.569 12.061 4.895 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.322 11.721 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -11.728 11.255 7.755 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.711 12.494 8.542 1.00 0.00 H new ATOM 280 N SER A 20 -10.372 13.471 1.926 1.00 0.00 N ATOM 281 CA SER A 20 -11.172 13.126 0.764 1.00 0.00 C ATOM 282 C SER A 20 -10.426 12.163 -0.169 1.00 0.00 C ATOM 283 O SER A 20 -10.988 11.159 -0.610 1.00 0.00 O ATOM 284 CB SER A 20 -11.569 14.401 0.005 1.00 0.00 C ATOM 285 OG SER A 20 -12.347 14.101 -1.139 1.00 0.00 O ATOM 0 H SER A 20 -10.168 14.467 2.010 1.00 0.00 H new ATOM 0 HA SER A 20 -12.071 12.618 1.113 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.132 15.060 0.667 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.671 14.942 -0.295 1.00 0.00 H new ATOM 0 HG SER A 20 -12.585 14.932 -1.600 1.00 0.00 H new ATOM 291 N CYS A 21 -9.156 12.447 -0.447 1.00 0.00 N ATOM 292 CA CYS A 21 -8.387 11.598 -1.347 1.00 0.00 C ATOM 293 C CYS A 21 -8.087 10.242 -0.712 1.00 0.00 C ATOM 294 O CYS A 21 -8.042 9.221 -1.405 1.00 0.00 O ATOM 295 CB CYS A 21 -7.102 12.291 -1.799 1.00 0.00 C ATOM 296 SG CYS A 21 -5.981 12.723 -0.460 1.00 0.00 S ATOM 0 H CYS A 21 -8.646 13.245 -0.068 1.00 0.00 H new ATOM 0 HA CYS A 21 -8.998 11.420 -2.232 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.579 11.639 -2.499 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -7.365 13.198 -2.344 1.00 0.00 H new ATOM 0 HG CYS A 21 -6.597 12.602 0.678 1.00 0.00 H new ATOM 302 N VAL A 22 -7.902 10.230 0.612 1.00 0.00 N ATOM 303 CA VAL A 22 -7.666 8.984 1.331 1.00 0.00 C ATOM 304 C VAL A 22 -8.884 8.087 1.202 1.00 0.00 C ATOM 305 O VAL A 22 -8.775 6.896 0.926 1.00 0.00 O ATOM 306 CB VAL A 22 -7.358 9.231 2.833 1.00 0.00 C ATOM 307 CG1 VAL A 22 -7.321 7.917 3.605 1.00 0.00 C ATOM 308 CG2 VAL A 22 -6.038 9.969 2.989 1.00 0.00 C ATOM 0 H VAL A 22 -7.912 11.064 1.199 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.794 8.503 0.888 1.00 0.00 H new ATOM 0 HB VAL A 22 -8.157 9.847 3.245 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.103 8.117 4.654 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -8.287 7.420 3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.545 7.273 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -5.837 10.134 4.047 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -5.235 9.373 2.555 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -6.095 10.929 2.476 1.00 0.00 H new ATOM 318 N LYS A 23 -10.046 8.675 1.387 1.00 0.00 N ATOM 319 CA LYS A 23 -11.289 7.937 1.248 1.00 0.00 C ATOM 320 C LYS A 23 -11.522 7.513 -0.193 1.00 0.00 C ATOM 321 O LYS A 23 -12.072 6.440 -0.455 1.00 0.00 O ATOM 322 CB LYS A 23 -12.484 8.707 1.802 1.00 0.00 C ATOM 323 CG LYS A 23 -12.471 8.818 3.315 1.00 0.00 C ATOM 324 CD LYS A 23 -13.714 9.509 3.835 1.00 0.00 C ATOM 325 CE LYS A 23 -13.712 9.571 5.352 1.00 0.00 C ATOM 326 NZ LYS A 23 -14.939 10.211 5.879 1.00 0.00 N ATOM 0 H LYS A 23 -10.159 9.658 1.633 1.00 0.00 H new ATOM 0 HA LYS A 23 -11.190 7.034 1.850 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -12.495 9.708 1.370 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -13.404 8.214 1.488 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -12.398 7.822 3.753 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -11.587 9.371 3.632 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -13.770 10.518 3.427 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -14.601 8.976 3.491 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -13.626 8.563 5.757 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -12.838 10.127 5.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -14.900 10.234 6.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -15.009 11.182 5.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -15.772 9.667 5.576 1.00 0.00 H new ATOM 340 N SER A 24 -11.110 8.363 -1.121 1.00 0.00 N ATOM 341 CA SER A 24 -11.258 8.090 -2.538 1.00 0.00 C ATOM 342 C SER A 24 -10.503 6.808 -2.924 1.00 0.00 C ATOM 343 O SER A 24 -11.047 5.941 -3.620 1.00 0.00 O ATOM 344 CB SER A 24 -10.735 9.281 -3.349 1.00 0.00 C ATOM 345 OG SER A 24 -10.905 9.078 -4.737 1.00 0.00 O ATOM 0 H SER A 24 -10.666 9.257 -0.912 1.00 0.00 H new ATOM 0 HA SER A 24 -12.315 7.942 -2.760 1.00 0.00 H new ATOM 0 HB2 SER A 24 -11.260 10.187 -3.046 1.00 0.00 H new ATOM 0 HB3 SER A 24 -9.679 9.436 -3.130 1.00 0.00 H new ATOM 0 HG SER A 24 -11.028 9.943 -5.181 1.00 0.00 H new ATOM 351 N ILE A 25 -9.255 6.678 -2.463 1.00 0.00 N ATOM 352 CA ILE A 25 -8.485 5.472 -2.736 1.00 0.00 C ATOM 353 C ILE A 25 -9.032 4.286 -1.945 1.00 0.00 C ATOM 354 O ILE A 25 -8.957 3.155 -2.397 1.00 0.00 O ATOM 355 CB ILE A 25 -6.955 5.644 -2.475 1.00 0.00 C ATOM 356 CG1 ILE A 25 -6.191 4.385 -2.926 1.00 0.00 C ATOM 357 CG2 ILE A 25 -6.673 5.949 -1.013 1.00 0.00 C ATOM 358 CD1 ILE A 25 -4.682 4.516 -2.870 1.00 0.00 C ATOM 0 H ILE A 25 -8.768 7.382 -1.909 1.00 0.00 H new ATOM 0 HA ILE A 25 -8.599 5.275 -3.802 1.00 0.00 H new ATOM 0 HB ILE A 25 -6.606 6.494 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -6.494 3.546 -2.299 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -6.485 4.142 -3.947 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -5.599 6.063 -0.866 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.178 6.873 -0.730 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -7.040 5.131 -0.393 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.223 3.585 -3.204 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.363 5.331 -3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -4.373 4.726 -1.846 1.00 0.00 H new ATOM 370 N GLU A 26 -9.619 4.567 -0.779 1.00 0.00 N ATOM 371 CA GLU A 26 -10.186 3.523 0.077 1.00 0.00 C ATOM 372 C GLU A 26 -11.250 2.719 -0.664 1.00 0.00 C ATOM 373 O GLU A 26 -11.208 1.491 -0.681 1.00 0.00 O ATOM 374 CB GLU A 26 -10.782 4.156 1.346 1.00 0.00 C ATOM 375 CG GLU A 26 -11.614 3.210 2.208 1.00 0.00 C ATOM 376 CD GLU A 26 -10.858 1.984 2.663 1.00 0.00 C ATOM 377 OE1 GLU A 26 -9.879 2.129 3.424 1.00 0.00 O ATOM 378 OE2 GLU A 26 -11.254 0.868 2.279 1.00 0.00 O ATOM 0 H GLU A 26 -9.714 5.511 -0.406 1.00 0.00 H new ATOM 0 HA GLU A 26 -9.386 2.838 0.358 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -9.968 4.555 1.952 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.406 5.001 1.054 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -11.973 3.751 3.084 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -12.493 2.896 1.644 1.00 0.00 H new ATOM 385 N ASP A 27 -12.183 3.403 -1.299 1.00 0.00 N ATOM 386 CA ASP A 27 -13.220 2.712 -2.055 1.00 0.00 C ATOM 387 C ASP A 27 -12.623 1.914 -3.198 1.00 0.00 C ATOM 388 O ASP A 27 -13.000 0.769 -3.433 1.00 0.00 O ATOM 389 CB ASP A 27 -14.264 3.695 -2.590 1.00 0.00 C ATOM 390 CG ASP A 27 -15.162 4.239 -1.507 1.00 0.00 C ATOM 391 OD1 ASP A 27 -16.069 3.506 -1.062 1.00 0.00 O ATOM 392 OD2 ASP A 27 -14.975 5.396 -1.090 1.00 0.00 O ATOM 0 H ASP A 27 -12.248 4.421 -1.310 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.715 2.022 -1.371 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -13.757 4.523 -3.085 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -14.873 3.197 -3.345 1.00 0.00 H new ATOM 397 N ARG A 28 -11.675 2.516 -3.885 1.00 0.00 N ATOM 398 CA ARG A 28 -11.038 1.886 -5.028 1.00 0.00 C ATOM 399 C ARG A 28 -10.254 0.620 -4.613 1.00 0.00 C ATOM 400 O ARG A 28 -10.400 -0.452 -5.223 1.00 0.00 O ATOM 401 CB ARG A 28 -10.107 2.895 -5.706 1.00 0.00 C ATOM 402 CG ARG A 28 -9.470 2.403 -6.990 1.00 0.00 C ATOM 403 CD ARG A 28 -10.510 2.188 -8.080 1.00 0.00 C ATOM 404 NE ARG A 28 -9.891 1.819 -9.349 1.00 0.00 N ATOM 405 CZ ARG A 28 -10.560 1.544 -10.471 1.00 0.00 C ATOM 406 NH1 ARG A 28 -11.885 1.613 -10.500 1.00 0.00 N ATOM 407 NH2 ARG A 28 -9.895 1.204 -11.566 1.00 0.00 N ATOM 0 H ARG A 28 -11.324 3.450 -3.671 1.00 0.00 H new ATOM 0 HA ARG A 28 -11.812 1.573 -5.729 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -10.671 3.803 -5.920 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.318 3.168 -5.006 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.729 3.126 -7.330 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -8.941 1.469 -6.801 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -11.204 1.406 -7.772 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -11.094 3.099 -8.211 1.00 0.00 H new ATOM 0 HE ARG A 28 -8.873 1.767 -9.381 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.400 1.878 -9.661 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.388 1.401 -11.362 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -8.876 1.153 -11.549 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -10.402 0.993 -12.426 1.00 0.00 H new ATOM 421 N ILE A 29 -9.453 0.744 -3.557 1.00 0.00 N ATOM 422 CA ILE A 29 -8.622 -0.360 -3.096 1.00 0.00 C ATOM 423 C ILE A 29 -9.458 -1.467 -2.455 1.00 0.00 C ATOM 424 O ILE A 29 -9.160 -2.639 -2.620 1.00 0.00 O ATOM 425 CB ILE A 29 -7.496 0.113 -2.125 1.00 0.00 C ATOM 426 CG1 ILE A 29 -6.492 -1.018 -1.879 1.00 0.00 C ATOM 427 CG2 ILE A 29 -8.077 0.606 -0.806 1.00 0.00 C ATOM 428 CD1 ILE A 29 -5.253 -0.584 -1.126 1.00 0.00 C ATOM 0 H ILE A 29 -9.364 1.598 -3.007 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.138 -0.771 -3.982 1.00 0.00 H new ATOM 0 HB ILE A 29 -6.975 0.947 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -6.985 -1.813 -1.320 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.193 -1.441 -2.838 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -7.268 0.929 -0.150 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.748 1.444 -0.995 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -8.631 -0.202 -0.328 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -4.591 -1.439 -0.991 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -4.735 0.190 -1.693 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -5.539 -0.189 -0.151 1.00 0.00 H new ATOM 440 N SER A 30 -10.510 -1.090 -1.736 1.00 0.00 N ATOM 441 CA SER A 30 -11.389 -2.073 -1.126 1.00 0.00 C ATOM 442 C SER A 30 -12.168 -2.854 -2.186 1.00 0.00 C ATOM 443 O SER A 30 -12.599 -3.983 -1.949 1.00 0.00 O ATOM 444 CB SER A 30 -12.320 -1.418 -0.100 1.00 0.00 C ATOM 445 OG SER A 30 -13.117 -0.404 -0.692 1.00 0.00 O ATOM 0 H SER A 30 -10.771 -0.119 -1.564 1.00 0.00 H new ATOM 0 HA SER A 30 -10.769 -2.792 -0.589 1.00 0.00 H new ATOM 0 HB2 SER A 30 -12.965 -2.176 0.343 1.00 0.00 H new ATOM 0 HB3 SER A 30 -11.728 -0.991 0.709 1.00 0.00 H new ATOM 0 HG SER A 30 -12.546 0.347 -0.959 1.00 0.00 H new ATOM 451 N ASN A 31 -12.359 -2.239 -3.355 1.00 0.00 N ATOM 452 CA ASN A 31 -13.004 -2.925 -4.470 1.00 0.00 C ATOM 453 C ASN A 31 -11.977 -3.730 -5.259 1.00 0.00 C ATOM 454 O ASN A 31 -12.329 -4.552 -6.115 1.00 0.00 O ATOM 455 CB ASN A 31 -13.744 -1.941 -5.387 1.00 0.00 C ATOM 456 CG ASN A 31 -14.954 -1.296 -4.718 1.00 0.00 C ATOM 457 OD1 ASN A 31 -15.628 -2.038 -3.856 1.00 0.00 O flip ATOM 458 ND2 ASN A 31 -15.282 -0.138 -4.982 1.00 0.00 N flip ATOM 0 H ASN A 31 -12.079 -1.278 -3.551 1.00 0.00 H new ATOM 0 HA ASN A 31 -13.747 -3.609 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -13.053 -1.160 -5.706 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -14.069 -2.465 -6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -14.739 0.406 -5.652 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -16.097 0.277 -4.530 1.00 0.00 H new ATOM 465 N LEU A 32 -10.706 -3.480 -4.976 1.00 0.00 N ATOM 466 CA LEU A 32 -9.622 -4.242 -5.571 1.00 0.00 C ATOM 467 C LEU A 32 -9.397 -5.521 -4.768 1.00 0.00 C ATOM 468 O LEU A 32 -9.163 -5.475 -3.565 1.00 0.00 O ATOM 469 CB LEU A 32 -8.332 -3.410 -5.608 1.00 0.00 C ATOM 470 CG LEU A 32 -7.099 -4.110 -6.195 1.00 0.00 C ATOM 471 CD1 LEU A 32 -7.332 -4.495 -7.649 1.00 0.00 C ATOM 472 CD2 LEU A 32 -5.870 -3.224 -6.065 1.00 0.00 C ATOM 0 H LEU A 32 -10.401 -2.749 -4.333 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.893 -4.499 -6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.522 -2.506 -6.187 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.097 -3.094 -4.592 1.00 0.00 H new ATOM 0 HG LEU A 32 -6.926 -5.025 -5.628 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.443 -4.989 -8.041 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.183 -5.173 -7.714 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -7.537 -3.599 -8.234 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.005 -3.737 -6.487 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -6.036 -2.291 -6.603 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.686 -3.009 -5.012 1.00 0.00 H new ATOM 484 N LYS A 33 -9.486 -6.653 -5.430 1.00 0.00 N ATOM 485 CA LYS A 33 -9.313 -7.932 -4.763 1.00 0.00 C ATOM 486 C LYS A 33 -7.843 -8.300 -4.631 1.00 0.00 C ATOM 487 O LYS A 33 -7.003 -7.864 -5.428 1.00 0.00 O ATOM 488 CB LYS A 33 -10.071 -9.034 -5.494 1.00 0.00 C ATOM 489 CG LYS A 33 -11.575 -8.839 -5.491 1.00 0.00 C ATOM 490 CD LYS A 33 -12.275 -9.970 -6.211 1.00 0.00 C ATOM 491 CE LYS A 33 -13.780 -9.777 -6.214 1.00 0.00 C ATOM 492 NZ LYS A 33 -14.474 -10.880 -6.918 1.00 0.00 N ATOM 0 H LYS A 33 -9.677 -6.718 -6.430 1.00 0.00 H new ATOM 0 HA LYS A 33 -9.726 -7.832 -3.759 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -9.721 -9.082 -6.525 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -9.836 -9.993 -5.033 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -11.935 -8.781 -4.464 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.822 -7.891 -5.970 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -11.912 -10.030 -7.237 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -12.029 -10.917 -5.730 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -14.141 -9.717 -5.187 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -14.024 -8.829 -6.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.500 -10.713 -6.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -14.148 -10.921 -7.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.262 -11.782 -6.445 1.00 0.00 H new ATOM 506 N GLY A 34 -7.537 -9.091 -3.614 1.00 0.00 N ATOM 507 CA GLY A 34 -6.178 -9.530 -3.391 1.00 0.00 C ATOM 508 C GLY A 34 -5.425 -8.619 -2.453 1.00 0.00 C ATOM 509 O GLY A 34 -4.224 -8.792 -2.239 1.00 0.00 O ATOM 0 H GLY A 34 -8.213 -9.439 -2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -6.188 -10.540 -2.982 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -5.654 -9.578 -4.345 1.00 0.00 H new ATOM 513 N ILE A 35 -6.127 -7.649 -1.884 1.00 0.00 N ATOM 514 CA ILE A 35 -5.507 -6.704 -0.976 1.00 0.00 C ATOM 515 C ILE A 35 -5.101 -7.368 0.331 1.00 0.00 C ATOM 516 O ILE A 35 -5.909 -8.033 0.994 1.00 0.00 O ATOM 517 CB ILE A 35 -6.410 -5.479 -0.698 1.00 0.00 C ATOM 518 CG1 ILE A 35 -7.783 -5.915 -0.160 1.00 0.00 C ATOM 519 CG2 ILE A 35 -6.561 -4.644 -1.960 1.00 0.00 C ATOM 520 CD1 ILE A 35 -8.655 -4.764 0.297 1.00 0.00 C ATOM 0 H ILE A 35 -7.124 -7.499 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.607 -6.345 -1.475 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.935 -4.867 0.069 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.308 -6.470 -0.938 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -7.635 -6.600 0.675 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.198 -3.784 -1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.580 -4.298 -2.287 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.013 -5.250 -2.745 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -9.606 -5.151 0.663 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.152 -4.222 1.098 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -8.836 -4.090 -0.540 1.00 0.00 H new ATOM 532 N ILE A 36 -3.842 -7.200 0.690 1.00 0.00 N ATOM 533 CA ILE A 36 -3.318 -7.790 1.897 1.00 0.00 C ATOM 534 C ILE A 36 -3.661 -6.928 3.104 1.00 0.00 C ATOM 535 O ILE A 36 -4.375 -7.366 4.001 1.00 0.00 O ATOM 536 CB ILE A 36 -1.789 -7.986 1.801 1.00 0.00 C ATOM 537 CG1 ILE A 36 -1.452 -8.901 0.620 1.00 0.00 C ATOM 538 CG2 ILE A 36 -1.243 -8.567 3.096 1.00 0.00 C ATOM 539 CD1 ILE A 36 0.027 -9.002 0.326 1.00 0.00 C ATOM 0 H ILE A 36 -3.164 -6.656 0.156 1.00 0.00 H new ATOM 0 HA ILE A 36 -3.781 -8.769 2.020 1.00 0.00 H new ATOM 0 HB ILE A 36 -1.321 -7.015 1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -1.841 -9.899 0.824 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -1.965 -8.534 -0.269 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -0.164 -8.698 3.010 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -1.461 -7.888 3.920 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -1.712 -9.532 3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.185 -9.667 -0.523 1.00 0.00 H new ATOM 0 HD12 ILE A 36 0.419 -8.013 0.090 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.545 -9.399 1.199 1.00 0.00 H new ATOM 551 N SER A 37 -3.170 -5.697 3.116 1.00 0.00 N ATOM 552 CA SER A 37 -3.472 -4.784 4.205 1.00 0.00 C ATOM 553 C SER A 37 -3.247 -3.338 3.783 1.00 0.00 C ATOM 554 O SER A 37 -2.435 -3.062 2.890 1.00 0.00 O ATOM 555 CB SER A 37 -2.604 -5.121 5.426 1.00 0.00 C ATOM 556 OG SER A 37 -1.224 -4.977 5.122 1.00 0.00 O ATOM 0 H SER A 37 -2.566 -5.311 2.390 1.00 0.00 H new ATOM 0 HA SER A 37 -4.523 -4.900 4.469 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.868 -4.466 6.257 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.805 -6.142 5.749 1.00 0.00 H new ATOM 0 HG SER A 37 -0.751 -4.627 5.906 1.00 0.00 H new ATOM 562 N MET A 38 -3.947 -2.424 4.434 1.00 0.00 N ATOM 563 CA MET A 38 -3.785 -1.004 4.176 1.00 0.00 C ATOM 564 C MET A 38 -3.852 -0.233 5.480 1.00 0.00 C ATOM 565 O MET A 38 -4.710 -0.492 6.318 1.00 0.00 O ATOM 566 CB MET A 38 -4.856 -0.483 3.213 1.00 0.00 C ATOM 567 CG MET A 38 -4.683 0.992 2.865 1.00 0.00 C ATOM 568 SD MET A 38 -5.949 1.607 1.744 1.00 0.00 S ATOM 569 CE MET A 38 -5.413 3.303 1.526 1.00 0.00 C ATOM 0 H MET A 38 -4.639 -2.643 5.151 1.00 0.00 H new ATOM 0 HA MET A 38 -2.811 -0.857 3.710 1.00 0.00 H new ATOM 0 HB2 MET A 38 -4.829 -1.072 2.296 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.840 -0.632 3.658 1.00 0.00 H new ATOM 0 HG2 MET A 38 -4.702 1.580 3.783 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.703 1.140 2.412 1.00 0.00 H new ATOM 0 HE1 MET A 38 -6.284 3.957 1.482 1.00 0.00 H new ATOM 0 HE2 MET A 38 -4.781 3.596 2.365 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.847 3.389 0.598 1.00 0.00 H new ATOM 579 N LYS A 39 -2.938 0.685 5.655 1.00 0.00 N ATOM 580 CA LYS A 39 -2.885 1.510 6.843 1.00 0.00 C ATOM 581 C LYS A 39 -2.686 2.954 6.419 1.00 0.00 C ATOM 582 O LYS A 39 -2.066 3.214 5.393 1.00 0.00 O ATOM 583 CB LYS A 39 -1.735 1.037 7.740 1.00 0.00 C ATOM 584 CG LYS A 39 -1.889 -0.415 8.183 1.00 0.00 C ATOM 585 CD LYS A 39 -0.662 -0.939 8.905 1.00 0.00 C ATOM 586 CE LYS A 39 -0.459 -0.274 10.251 1.00 0.00 C ATOM 587 NZ LYS A 39 0.702 -0.850 10.967 1.00 0.00 N ATOM 0 H LYS A 39 -2.204 0.886 4.976 1.00 0.00 H new ATOM 0 HA LYS A 39 -3.813 1.430 7.409 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -0.792 1.151 7.205 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.680 1.677 8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -2.756 -0.501 8.838 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -2.086 -1.038 7.311 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -0.758 -2.016 9.045 1.00 0.00 H new ATOM 0 HD3 LYS A 39 0.219 -0.775 8.285 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -0.308 0.796 10.111 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.358 -0.392 10.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 0.815 -0.374 11.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 0.545 -1.867 11.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 1.562 -0.715 10.399 1.00 0.00 H new ATOM 601 N VAL A 40 -3.203 3.890 7.174 1.00 0.00 N ATOM 602 CA VAL A 40 -3.072 5.278 6.789 1.00 0.00 C ATOM 603 C VAL A 40 -2.470 6.118 7.903 1.00 0.00 C ATOM 604 O VAL A 40 -2.850 6.005 9.070 1.00 0.00 O ATOM 605 CB VAL A 40 -4.430 5.887 6.329 1.00 0.00 C ATOM 606 CG1 VAL A 40 -5.465 5.846 7.444 1.00 0.00 C ATOM 607 CG2 VAL A 40 -4.243 7.311 5.815 1.00 0.00 C ATOM 0 H VAL A 40 -3.710 3.725 8.044 1.00 0.00 H new ATOM 0 HA VAL A 40 -2.389 5.297 5.940 1.00 0.00 H new ATOM 0 HB VAL A 40 -4.803 5.275 5.508 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.400 6.279 7.089 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -5.635 4.812 7.745 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.102 6.418 8.298 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.206 7.714 5.500 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -3.832 7.934 6.610 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -3.558 7.305 4.967 1.00 0.00 H new ATOM 617 N SER A 41 -1.515 6.941 7.533 1.00 0.00 N ATOM 618 CA SER A 41 -0.879 7.834 8.452 1.00 0.00 C ATOM 619 C SER A 41 -1.328 9.261 8.144 1.00 0.00 C ATOM 620 O SER A 41 -0.670 9.992 7.395 1.00 0.00 O ATOM 621 CB SER A 41 0.636 7.703 8.333 1.00 0.00 C ATOM 622 OG SER A 41 1.036 6.348 8.473 1.00 0.00 O ATOM 0 H SER A 41 -1.161 7.004 6.578 1.00 0.00 H new ATOM 0 HA SER A 41 -1.162 7.585 9.475 1.00 0.00 H new ATOM 0 HB2 SER A 41 0.964 8.086 7.367 1.00 0.00 H new ATOM 0 HB3 SER A 41 1.120 8.311 9.098 1.00 0.00 H new ATOM 0 HG SER A 41 2.011 6.285 8.392 1.00 0.00 H new ATOM 628 N LEU A 42 -2.459 9.641 8.715 1.00 0.00 N ATOM 629 CA LEU A 42 -3.063 10.940 8.460 1.00 0.00 C ATOM 630 C LEU A 42 -2.143 12.074 8.896 1.00 0.00 C ATOM 631 O LEU A 42 -1.974 13.063 8.179 1.00 0.00 O ATOM 632 CB LEU A 42 -4.412 11.040 9.181 1.00 0.00 C ATOM 633 CG LEU A 42 -5.176 12.352 8.996 1.00 0.00 C ATOM 634 CD1 LEU A 42 -5.523 12.575 7.529 1.00 0.00 C ATOM 635 CD2 LEU A 42 -6.432 12.360 9.850 1.00 0.00 C ATOM 0 H LEU A 42 -2.984 9.059 9.368 1.00 0.00 H new ATOM 0 HA LEU A 42 -3.223 11.036 7.386 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.046 10.222 8.838 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -4.244 10.888 10.247 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.533 13.170 9.320 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.066 13.514 7.422 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.606 12.617 6.941 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.145 11.754 7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -6.964 13.301 9.706 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.076 11.531 9.557 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -6.159 12.254 10.900 1.00 0.00 H new ATOM 647 N GLU A 43 -1.539 11.917 10.057 1.00 0.00 N ATOM 648 CA GLU A 43 -0.655 12.930 10.600 1.00 0.00 C ATOM 649 C GLU A 43 0.641 13.015 9.797 1.00 0.00 C ATOM 650 O GLU A 43 1.274 14.072 9.723 1.00 0.00 O ATOM 651 CB GLU A 43 -0.376 12.658 12.073 1.00 0.00 C ATOM 652 CG GLU A 43 -1.630 12.732 12.926 1.00 0.00 C ATOM 653 CD GLU A 43 -1.364 12.550 14.395 1.00 0.00 C ATOM 654 OE1 GLU A 43 -1.158 11.404 14.831 1.00 0.00 O ATOM 655 OE2 GLU A 43 -1.388 13.558 15.132 1.00 0.00 O ATOM 0 H GLU A 43 -1.645 11.091 10.647 1.00 0.00 H new ATOM 0 HA GLU A 43 -1.152 13.897 10.522 1.00 0.00 H new ATOM 0 HB2 GLU A 43 0.073 11.670 12.178 1.00 0.00 H new ATOM 0 HB3 GLU A 43 0.353 13.380 12.441 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.111 13.697 12.768 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -2.332 11.967 12.594 1.00 0.00 H new ATOM 662 N GLN A 44 1.027 11.901 9.194 1.00 0.00 N ATOM 663 CA GLN A 44 2.232 11.855 8.375 1.00 0.00 C ATOM 664 C GLN A 44 1.933 12.315 6.952 1.00 0.00 C ATOM 665 O GLN A 44 2.847 12.553 6.159 1.00 0.00 O ATOM 666 CB GLN A 44 2.806 10.441 8.347 1.00 0.00 C ATOM 667 CG GLN A 44 3.182 9.905 9.715 1.00 0.00 C ATOM 668 CD GLN A 44 4.221 10.758 10.405 1.00 0.00 C ATOM 669 OE1 GLN A 44 3.889 11.674 11.150 1.00 0.00 O ATOM 670 NE2 GLN A 44 5.484 10.463 10.163 1.00 0.00 N ATOM 0 H GLN A 44 0.524 11.016 9.255 1.00 0.00 H new ATOM 0 HA GLN A 44 2.966 12.528 8.817 1.00 0.00 H new ATOM 0 HB2 GLN A 44 2.075 9.771 7.893 1.00 0.00 H new ATOM 0 HB3 GLN A 44 3.689 10.430 7.708 1.00 0.00 H new ATOM 0 HG2 GLN A 44 2.289 9.850 10.338 1.00 0.00 H new ATOM 0 HG3 GLN A 44 3.561 8.888 9.612 1.00 0.00 H new ATOM 0 HE21 GLN A 44 5.717 9.693 9.536 1.00 0.00 H new ATOM 0 HE22 GLN A 44 6.228 11.005 10.602 1.00 0.00 H new ATOM 679 N GLY A 45 0.648 12.421 6.631 1.00 0.00 N ATOM 680 CA GLY A 45 0.247 12.857 5.309 1.00 0.00 C ATOM 681 C GLY A 45 0.543 11.813 4.258 1.00 0.00 C ATOM 682 O GLY A 45 0.767 12.137 3.093 1.00 0.00 O ATOM 0 H GLY A 45 -0.123 12.212 7.265 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.820 13.080 5.308 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.767 13.782 5.059 1.00 0.00 H new ATOM 686 N SER A 46 0.548 10.557 4.666 1.00 0.00 N ATOM 687 CA SER A 46 0.855 9.475 3.760 1.00 0.00 C ATOM 688 C SER A 46 0.098 8.204 4.132 1.00 0.00 C ATOM 689 O SER A 46 -0.390 8.061 5.250 1.00 0.00 O ATOM 690 CB SER A 46 2.370 9.224 3.744 1.00 0.00 C ATOM 691 OG SER A 46 2.847 8.882 5.038 1.00 0.00 O ATOM 0 H SER A 46 0.342 10.265 5.621 1.00 0.00 H new ATOM 0 HA SER A 46 0.532 9.763 2.759 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.601 8.421 3.044 1.00 0.00 H new ATOM 0 HB3 SER A 46 2.885 10.116 3.387 1.00 0.00 H new ATOM 0 HG SER A 46 3.814 8.726 5.000 1.00 0.00 H new ATOM 697 N ALA A 47 -0.007 7.298 3.189 1.00 0.00 N ATOM 698 CA ALA A 47 -0.679 6.041 3.411 1.00 0.00 C ATOM 699 C ALA A 47 0.287 4.896 3.191 1.00 0.00 C ATOM 700 O ALA A 47 1.216 5.007 2.397 1.00 0.00 O ATOM 701 CB ALA A 47 -1.885 5.909 2.492 1.00 0.00 C ATOM 0 H ALA A 47 0.370 7.412 2.248 1.00 0.00 H new ATOM 0 HA ALA A 47 -1.034 6.009 4.441 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -2.379 4.954 2.674 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -2.583 6.722 2.689 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -1.558 5.956 1.453 1.00 0.00 H new ATOM 707 N THR A 48 0.083 3.818 3.903 1.00 0.00 N ATOM 708 CA THR A 48 0.930 2.657 3.791 1.00 0.00 C ATOM 709 C THR A 48 0.111 1.479 3.285 1.00 0.00 C ATOM 710 O THR A 48 -0.927 1.147 3.849 1.00 0.00 O ATOM 711 CB THR A 48 1.543 2.308 5.163 1.00 0.00 C ATOM 712 OG1 THR A 48 2.275 3.440 5.652 1.00 0.00 O ATOM 713 CG2 THR A 48 2.480 1.109 5.056 1.00 0.00 C ATOM 0 H THR A 48 -0.676 3.719 4.578 1.00 0.00 H new ATOM 0 HA THR A 48 1.736 2.873 3.089 1.00 0.00 H new ATOM 0 HB THR A 48 0.736 2.053 5.850 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.666 3.225 6.525 1.00 0.00 H new ATOM 0 HG21 THR A 48 2.898 0.885 6.037 1.00 0.00 H new ATOM 0 HG22 THR A 48 1.925 0.245 4.692 1.00 0.00 H new ATOM 0 HG23 THR A 48 3.288 1.339 4.362 1.00 0.00 H new ATOM 721 N VAL A 49 0.564 0.860 2.231 1.00 0.00 N ATOM 722 CA VAL A 49 -0.149 -0.253 1.665 1.00 0.00 C ATOM 723 C VAL A 49 0.778 -1.440 1.463 1.00 0.00 C ATOM 724 O VAL A 49 1.939 -1.278 1.084 1.00 0.00 O ATOM 725 CB VAL A 49 -0.832 0.133 0.319 1.00 0.00 C ATOM 726 CG1 VAL A 49 0.193 0.597 -0.709 1.00 0.00 C ATOM 727 CG2 VAL A 49 -1.660 -1.025 -0.228 1.00 0.00 C ATOM 0 H VAL A 49 1.426 1.107 1.745 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.930 -0.535 2.371 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.506 0.966 0.520 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.315 0.859 -1.637 1.00 0.00 H new ATOM 0 HG12 VAL A 49 0.723 1.470 -0.327 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.906 -0.205 -0.900 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -2.125 -0.728 -1.168 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -1.013 -1.886 -0.400 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.434 -1.291 0.492 1.00 0.00 H new ATOM 737 N LYS A 50 0.280 -2.619 1.762 1.00 0.00 N ATOM 738 CA LYS A 50 1.035 -3.826 1.562 1.00 0.00 C ATOM 739 C LYS A 50 0.286 -4.704 0.577 1.00 0.00 C ATOM 740 O LYS A 50 -0.861 -5.105 0.832 1.00 0.00 O ATOM 741 CB LYS A 50 1.265 -4.540 2.899 1.00 0.00 C ATOM 742 CG LYS A 50 2.143 -5.772 2.797 1.00 0.00 C ATOM 743 CD LYS A 50 2.565 -6.283 4.171 1.00 0.00 C ATOM 744 CE LYS A 50 1.387 -6.789 4.986 1.00 0.00 C ATOM 745 NZ LYS A 50 1.817 -7.312 6.305 1.00 0.00 N ATOM 0 H LYS A 50 -0.653 -2.763 2.148 1.00 0.00 H new ATOM 0 HA LYS A 50 2.018 -3.594 1.152 1.00 0.00 H new ATOM 0 HB2 LYS A 50 1.719 -3.840 3.600 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.300 -4.828 3.316 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.606 -6.558 2.266 1.00 0.00 H new ATOM 0 HG3 LYS A 50 3.030 -5.538 2.208 1.00 0.00 H new ATOM 0 HD2 LYS A 50 3.292 -7.086 4.050 1.00 0.00 H new ATOM 0 HD3 LYS A 50 3.064 -5.482 4.716 1.00 0.00 H new ATOM 0 HE2 LYS A 50 0.671 -5.980 5.131 1.00 0.00 H new ATOM 0 HE3 LYS A 50 0.873 -7.575 4.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 0.986 -7.648 6.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 2.481 -8.100 6.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.286 -6.555 6.843 1.00 0.00 H new ATOM 759 N TYR A 51 0.922 -4.992 -0.544 1.00 0.00 N ATOM 760 CA TYR A 51 0.273 -5.709 -1.625 1.00 0.00 C ATOM 761 C TYR A 51 1.316 -6.453 -2.459 1.00 0.00 C ATOM 762 O TYR A 51 2.515 -6.188 -2.339 1.00 0.00 O ATOM 763 CB TYR A 51 -0.498 -4.697 -2.502 1.00 0.00 C ATOM 764 CG TYR A 51 -1.467 -5.315 -3.487 1.00 0.00 C ATOM 765 CD1 TYR A 51 -2.734 -5.686 -3.084 1.00 0.00 C ATOM 766 CD2 TYR A 51 -1.117 -5.519 -4.813 1.00 0.00 C ATOM 767 CE1 TYR A 51 -3.631 -6.248 -3.970 1.00 0.00 C ATOM 768 CE2 TYR A 51 -2.008 -6.082 -5.706 1.00 0.00 C ATOM 769 CZ TYR A 51 -3.264 -6.445 -5.277 1.00 0.00 C ATOM 770 OH TYR A 51 -4.157 -7.007 -6.161 1.00 0.00 O ATOM 0 H TYR A 51 1.892 -4.739 -0.729 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.424 -6.441 -1.218 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.049 -4.019 -1.850 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.223 -4.094 -3.054 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -3.029 -5.534 -2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.133 -5.233 -5.153 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -4.618 -6.532 -3.635 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.720 -6.236 -6.735 1.00 0.00 H new ATOM 0 HH TYR A 51 -4.994 -7.212 -5.694 1.00 0.00 H new ATOM 780 N VAL A 52 0.865 -7.401 -3.268 1.00 0.00 N ATOM 781 CA VAL A 52 1.757 -8.136 -4.151 1.00 0.00 C ATOM 782 C VAL A 52 1.956 -7.342 -5.447 1.00 0.00 C ATOM 783 O VAL A 52 1.027 -7.211 -6.248 1.00 0.00 O ATOM 784 CB VAL A 52 1.179 -9.534 -4.497 1.00 0.00 C ATOM 785 CG1 VAL A 52 2.128 -10.310 -5.402 1.00 0.00 C ATOM 786 CG2 VAL A 52 0.880 -10.322 -3.230 1.00 0.00 C ATOM 0 H VAL A 52 -0.114 -7.679 -3.331 1.00 0.00 H new ATOM 0 HA VAL A 52 2.709 -8.272 -3.638 1.00 0.00 H new ATOM 0 HB VAL A 52 0.244 -9.386 -5.037 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.698 -11.286 -5.629 1.00 0.00 H new ATOM 0 HG12 VAL A 52 2.281 -9.757 -6.329 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.085 -10.443 -4.897 1.00 0.00 H new ATOM 0 HG21 VAL A 52 0.476 -11.299 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 52 1.798 -10.453 -2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 52 0.151 -9.780 -2.628 1.00 0.00 H new ATOM 796 N PRO A 53 3.179 -6.828 -5.684 1.00 0.00 N ATOM 797 CA PRO A 53 3.479 -5.991 -6.859 1.00 0.00 C ATOM 798 C PRO A 53 3.331 -6.749 -8.173 1.00 0.00 C ATOM 799 O PRO A 53 3.168 -6.145 -9.237 1.00 0.00 O ATOM 800 CB PRO A 53 4.940 -5.572 -6.640 1.00 0.00 C ATOM 801 CG PRO A 53 5.498 -6.606 -5.726 1.00 0.00 C ATOM 802 CD PRO A 53 4.367 -7.013 -4.829 1.00 0.00 C ATOM 0 HA PRO A 53 2.789 -5.151 -6.942 1.00 0.00 H new ATOM 0 HB2 PRO A 53 5.488 -5.539 -7.582 1.00 0.00 H new ATOM 0 HB3 PRO A 53 5.005 -4.577 -6.199 1.00 0.00 H new ATOM 0 HG2 PRO A 53 5.878 -7.460 -6.287 1.00 0.00 H new ATOM 0 HG3 PRO A 53 6.332 -6.208 -5.148 1.00 0.00 H new ATOM 0 HD2 PRO A 53 4.468 -8.046 -4.497 1.00 0.00 H new ATOM 0 HD3 PRO A 53 4.320 -6.393 -3.933 1.00 0.00 H new ATOM 810 N SER A 54 3.418 -8.068 -8.101 1.00 0.00 N ATOM 811 CA SER A 54 3.266 -8.901 -9.275 1.00 0.00 C ATOM 812 C SER A 54 1.853 -8.769 -9.852 1.00 0.00 C ATOM 813 O SER A 54 1.678 -8.661 -11.066 1.00 0.00 O ATOM 814 CB SER A 54 3.571 -10.367 -8.932 1.00 0.00 C ATOM 815 OG SER A 54 3.457 -11.201 -10.072 1.00 0.00 O ATOM 0 H SER A 54 3.594 -8.582 -7.238 1.00 0.00 H new ATOM 0 HA SER A 54 3.977 -8.565 -10.030 1.00 0.00 H new ATOM 0 HB2 SER A 54 4.578 -10.444 -8.523 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.885 -10.711 -8.158 1.00 0.00 H new ATOM 0 HG SER A 54 3.659 -12.127 -9.822 1.00 0.00 H new ATOM 821 N VAL A 55 0.851 -8.769 -8.972 1.00 0.00 N ATOM 822 CA VAL A 55 -0.537 -8.681 -9.403 1.00 0.00 C ATOM 823 C VAL A 55 -0.872 -7.265 -9.882 1.00 0.00 C ATOM 824 O VAL A 55 -1.376 -7.075 -10.991 1.00 0.00 O ATOM 825 CB VAL A 55 -1.501 -9.085 -8.258 1.00 0.00 C ATOM 826 CG1 VAL A 55 -2.954 -8.957 -8.694 1.00 0.00 C ATOM 827 CG2 VAL A 55 -1.207 -10.503 -7.786 1.00 0.00 C ATOM 0 H VAL A 55 0.978 -8.829 -7.962 1.00 0.00 H new ATOM 0 HA VAL A 55 -0.667 -9.375 -10.233 1.00 0.00 H new ATOM 0 HB VAL A 55 -1.338 -8.402 -7.425 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -3.608 -9.247 -7.871 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.160 -7.924 -8.975 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.136 -9.608 -9.549 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -1.894 -10.769 -6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -1.335 -11.197 -8.617 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.182 -10.560 -7.421 1.00 0.00 H new ATOM 837 N VAL A 56 -0.563 -6.274 -9.055 1.00 0.00 N ATOM 838 CA VAL A 56 -0.813 -4.876 -9.397 1.00 0.00 C ATOM 839 C VAL A 56 0.426 -4.037 -9.129 1.00 0.00 C ATOM 840 O VAL A 56 1.027 -4.130 -8.059 1.00 0.00 O ATOM 841 CB VAL A 56 -2.025 -4.280 -8.615 1.00 0.00 C ATOM 842 CG1 VAL A 56 -2.234 -2.814 -8.969 1.00 0.00 C ATOM 843 CG2 VAL A 56 -3.294 -5.070 -8.897 1.00 0.00 C ATOM 0 H VAL A 56 -0.137 -6.412 -8.139 1.00 0.00 H new ATOM 0 HA VAL A 56 -1.057 -4.849 -10.459 1.00 0.00 H new ATOM 0 HB VAL A 56 -1.799 -4.351 -7.551 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -3.084 -2.423 -8.411 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.339 -2.247 -8.712 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -2.428 -2.722 -10.038 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -4.124 -4.635 -8.341 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -3.514 -5.036 -9.964 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -3.154 -6.106 -8.589 1.00 0.00 H new ATOM 853 N CYS A 57 0.815 -3.239 -10.105 1.00 0.00 N ATOM 854 CA CYS A 57 1.971 -2.379 -9.968 1.00 0.00 C ATOM 855 C CYS A 57 1.658 -1.198 -9.049 1.00 0.00 C ATOM 856 O CYS A 57 0.491 -0.833 -8.858 1.00 0.00 O ATOM 857 CB CYS A 57 2.416 -1.875 -11.342 1.00 0.00 C ATOM 858 SG CYS A 57 1.211 -0.802 -12.159 1.00 0.00 S ATOM 0 H CYS A 57 0.343 -3.170 -11.006 1.00 0.00 H new ATOM 0 HA CYS A 57 2.781 -2.956 -9.523 1.00 0.00 H new ATOM 0 HB2 CYS A 57 3.355 -1.332 -11.232 1.00 0.00 H new ATOM 0 HB3 CYS A 57 2.618 -2.732 -11.984 1.00 0.00 H new ATOM 0 HG CYS A 57 1.677 -0.425 -13.312 1.00 0.00 H new ATOM 864 N LEU A 58 2.699 -0.591 -8.512 1.00 0.00 N ATOM 865 CA LEU A 58 2.559 0.537 -7.605 1.00 0.00 C ATOM 866 C LEU A 58 2.035 1.765 -8.343 1.00 0.00 C ATOM 867 O LEU A 58 1.429 2.656 -7.739 1.00 0.00 O ATOM 868 CB LEU A 58 3.894 0.860 -6.907 1.00 0.00 C ATOM 869 CG LEU A 58 4.382 -0.148 -5.846 1.00 0.00 C ATOM 870 CD1 LEU A 58 4.786 -1.474 -6.478 1.00 0.00 C ATOM 871 CD2 LEU A 58 5.539 0.437 -5.054 1.00 0.00 C ATOM 0 H LEU A 58 3.665 -0.864 -8.691 1.00 0.00 H new ATOM 0 HA LEU A 58 1.835 0.258 -6.840 1.00 0.00 H new ATOM 0 HB2 LEU A 58 4.665 0.949 -7.672 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.802 1.837 -6.432 1.00 0.00 H new ATOM 0 HG LEU A 58 3.552 -0.344 -5.167 1.00 0.00 H new ATOM 0 HD11 LEU A 58 5.124 -2.159 -5.701 1.00 0.00 H new ATOM 0 HD12 LEU A 58 3.930 -1.906 -6.995 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.594 -1.306 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 58 5.872 -0.286 -4.309 1.00 0.00 H new ATOM 0 HD22 LEU A 58 6.363 0.668 -5.730 1.00 0.00 H new ATOM 0 HD23 LEU A 58 5.213 1.349 -4.554 1.00 0.00 H new ATOM 883 N GLN A 59 2.267 1.802 -9.656 1.00 0.00 N ATOM 884 CA GLN A 59 1.831 2.924 -10.483 1.00 0.00 C ATOM 885 C GLN A 59 0.313 3.056 -10.429 1.00 0.00 C ATOM 886 O GLN A 59 -0.220 4.156 -10.310 1.00 0.00 O ATOM 887 CB GLN A 59 2.260 2.708 -11.933 1.00 0.00 C ATOM 888 CG GLN A 59 3.758 2.769 -12.153 1.00 0.00 C ATOM 889 CD GLN A 59 4.149 2.412 -13.573 1.00 0.00 C ATOM 890 OE1 GLN A 59 3.446 1.667 -14.260 1.00 0.00 O ATOM 891 NE2 GLN A 59 5.275 2.923 -14.017 1.00 0.00 N ATOM 0 H GLN A 59 2.755 1.067 -10.168 1.00 0.00 H new ATOM 0 HA GLN A 59 2.291 3.834 -10.099 1.00 0.00 H new ATOM 0 HB2 GLN A 59 1.894 1.737 -12.268 1.00 0.00 H new ATOM 0 HB3 GLN A 59 1.781 3.462 -12.558 1.00 0.00 H new ATOM 0 HG2 GLN A 59 4.116 3.772 -11.922 1.00 0.00 H new ATOM 0 HG3 GLN A 59 4.252 2.087 -11.461 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.828 3.535 -13.418 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.596 2.707 -14.961 1.00 0.00 H new ATOM 900 N GLN A 60 -0.375 1.921 -10.499 1.00 0.00 N ATOM 901 CA GLN A 60 -1.828 1.905 -10.426 1.00 0.00 C ATOM 902 C GLN A 60 -2.317 2.359 -9.065 1.00 0.00 C ATOM 903 O GLN A 60 -3.300 3.078 -8.969 1.00 0.00 O ATOM 904 CB GLN A 60 -2.389 0.527 -10.781 1.00 0.00 C ATOM 905 CG GLN A 60 -2.228 0.174 -12.250 1.00 0.00 C ATOM 906 CD GLN A 60 -3.001 1.120 -13.156 1.00 0.00 C ATOM 907 OE1 GLN A 60 -4.079 1.605 -12.796 1.00 0.00 O ATOM 908 NE2 GLN A 60 -2.458 1.398 -14.322 1.00 0.00 N ATOM 0 H GLN A 60 0.052 1.001 -10.606 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.200 2.614 -11.166 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -1.888 -0.229 -10.176 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.447 0.495 -10.520 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -1.171 0.202 -12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -2.571 -0.847 -12.416 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.566 0.977 -14.583 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -2.929 2.034 -14.965 1.00 0.00 H new ATOM 917 N VAL A 61 -1.617 1.944 -8.015 1.00 0.00 N ATOM 918 CA VAL A 61 -1.975 2.339 -6.650 1.00 0.00 C ATOM 919 C VAL A 61 -1.875 3.859 -6.500 1.00 0.00 C ATOM 920 O VAL A 61 -2.783 4.515 -5.960 1.00 0.00 O ATOM 921 CB VAL A 61 -1.062 1.649 -5.605 1.00 0.00 C ATOM 922 CG1 VAL A 61 -1.315 2.197 -4.206 1.00 0.00 C ATOM 923 CG2 VAL A 61 -1.261 0.140 -5.637 1.00 0.00 C ATOM 0 H VAL A 61 -0.800 1.336 -8.078 1.00 0.00 H new ATOM 0 HA VAL A 61 -3.002 2.021 -6.468 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.026 1.867 -5.866 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -0.660 1.694 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.112 3.268 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -2.355 2.022 -3.929 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -0.612 -0.328 -4.897 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.301 -0.095 -5.409 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.013 -0.239 -6.629 1.00 0.00 H new ATOM 933 N CYS A 62 -0.783 4.412 -7.007 1.00 0.00 N ATOM 934 CA CYS A 62 -0.573 5.843 -7.000 1.00 0.00 C ATOM 935 C CYS A 62 -1.684 6.516 -7.796 1.00 0.00 C ATOM 936 O CYS A 62 -2.221 7.552 -7.395 1.00 0.00 O ATOM 937 CB CYS A 62 0.798 6.183 -7.596 1.00 0.00 C ATOM 938 SG CYS A 62 1.204 7.942 -7.570 1.00 0.00 S ATOM 0 H CYS A 62 -0.024 3.880 -7.432 1.00 0.00 H new ATOM 0 HA CYS A 62 -0.595 6.208 -5.973 1.00 0.00 H new ATOM 0 HB2 CYS A 62 1.565 5.637 -7.047 1.00 0.00 H new ATOM 0 HB3 CYS A 62 0.831 5.830 -8.627 1.00 0.00 H new ATOM 0 HG CYS A 62 2.380 8.124 -8.093 1.00 0.00 H new ATOM 944 N HIS A 63 -2.021 5.909 -8.926 1.00 0.00 N ATOM 945 CA HIS A 63 -3.076 6.401 -9.794 1.00 0.00 C ATOM 946 C HIS A 63 -4.419 6.405 -9.074 1.00 0.00 C ATOM 947 O HIS A 63 -5.202 7.312 -9.247 1.00 0.00 O ATOM 948 CB HIS A 63 -3.172 5.570 -11.085 1.00 0.00 C ATOM 949 CG HIS A 63 -4.238 6.051 -12.034 1.00 0.00 C ATOM 950 ND1 HIS A 63 -4.096 7.181 -12.811 1.00 0.00 N ATOM 951 CD2 HIS A 63 -5.475 5.564 -12.309 1.00 0.00 C ATOM 952 CE1 HIS A 63 -5.197 7.368 -13.520 1.00 0.00 C ATOM 953 NE2 HIS A 63 -6.048 6.403 -13.235 1.00 0.00 N ATOM 0 H HIS A 63 -1.568 5.060 -9.265 1.00 0.00 H new ATOM 0 HA HIS A 63 -2.822 7.426 -10.064 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -2.208 5.592 -11.593 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -3.372 4.531 -10.824 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -5.925 4.681 -11.880 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.370 8.176 -14.216 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -6.980 6.296 -13.636 1.00 0.00 H new ATOM 961 N GLN A 64 -4.667 5.387 -8.260 1.00 0.00 N ATOM 962 CA GLN A 64 -5.954 5.244 -7.582 1.00 0.00 C ATOM 963 C GLN A 64 -6.250 6.450 -6.697 1.00 0.00 C ATOM 964 O GLN A 64 -7.377 6.947 -6.675 1.00 0.00 O ATOM 965 CB GLN A 64 -5.966 3.978 -6.721 1.00 0.00 C ATOM 966 CG GLN A 64 -5.959 2.680 -7.512 1.00 0.00 C ATOM 967 CD GLN A 64 -5.791 1.460 -6.623 1.00 0.00 C ATOM 968 OE1 GLN A 64 -5.167 1.526 -5.570 1.00 0.00 O ATOM 969 NE2 GLN A 64 -6.344 0.341 -7.045 1.00 0.00 N ATOM 0 H GLN A 64 -3.996 4.647 -8.052 1.00 0.00 H new ATOM 0 HA GLN A 64 -6.723 5.174 -8.351 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -5.097 3.993 -6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -6.850 3.996 -6.083 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -6.891 2.593 -8.071 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -5.151 2.708 -8.243 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.856 0.326 -7.927 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.260 -0.510 -6.489 1.00 0.00 H new ATOM 978 N ILE A 65 -5.253 6.922 -5.970 1.00 0.00 N ATOM 979 CA ILE A 65 -5.450 8.088 -5.120 1.00 0.00 C ATOM 980 C ILE A 65 -5.240 9.407 -5.895 1.00 0.00 C ATOM 981 O ILE A 65 -5.976 10.379 -5.701 1.00 0.00 O ATOM 982 CB ILE A 65 -4.567 8.035 -3.844 1.00 0.00 C ATOM 983 CG1 ILE A 65 -4.939 9.166 -2.885 1.00 0.00 C ATOM 984 CG2 ILE A 65 -3.083 8.075 -4.190 1.00 0.00 C ATOM 985 CD1 ILE A 65 -4.357 9.002 -1.501 1.00 0.00 C ATOM 0 H ILE A 65 -4.313 6.526 -5.948 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.490 8.064 -4.794 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.759 7.086 -3.344 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -4.598 10.113 -3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.025 9.224 -2.809 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.495 8.036 -3.273 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.833 7.220 -4.818 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -2.859 8.997 -4.726 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -4.663 9.841 -0.876 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.718 8.072 -1.062 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.269 8.975 -1.565 1.00 0.00 H new ATOM 997 N GLY A 66 -4.247 9.414 -6.785 1.00 0.00 N ATOM 998 CA GLY A 66 -3.941 10.595 -7.590 1.00 0.00 C ATOM 999 C GLY A 66 -5.080 10.992 -8.515 1.00 0.00 C ATOM 1000 O GLY A 66 -5.315 12.180 -8.748 1.00 0.00 O ATOM 0 H GLY A 66 -3.641 8.614 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -3.710 11.430 -6.928 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.048 10.402 -8.184 1.00 0.00 H new ATOM 1004 N ASP A 67 -5.782 9.988 -9.035 1.00 0.00 N ATOM 1005 CA ASP A 67 -6.897 10.169 -9.985 1.00 0.00 C ATOM 1006 C ASP A 67 -7.958 11.117 -9.434 1.00 0.00 C ATOM 1007 O ASP A 67 -8.653 11.797 -10.194 1.00 0.00 O ATOM 1008 CB ASP A 67 -7.526 8.807 -10.310 1.00 0.00 C ATOM 1009 CG ASP A 67 -8.584 8.871 -11.387 1.00 0.00 C ATOM 1010 OD1 ASP A 67 -8.245 9.212 -12.538 1.00 0.00 O ATOM 1011 OD2 ASP A 67 -9.751 8.544 -11.098 1.00 0.00 O ATOM 0 H ASP A 67 -5.597 9.010 -8.811 1.00 0.00 H new ATOM 0 HA ASP A 67 -6.496 10.615 -10.895 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -6.741 8.119 -10.624 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -7.967 8.394 -9.403 1.00 0.00 H new ATOM 1016 N MET A 68 -8.069 11.165 -8.112 1.00 0.00 N ATOM 1017 CA MET A 68 -9.027 12.038 -7.440 1.00 0.00 C ATOM 1018 C MET A 68 -8.772 13.510 -7.790 1.00 0.00 C ATOM 1019 O MET A 68 -9.698 14.323 -7.808 1.00 0.00 O ATOM 1020 CB MET A 68 -8.967 11.836 -5.923 1.00 0.00 C ATOM 1021 CG MET A 68 -10.067 12.561 -5.160 1.00 0.00 C ATOM 1022 SD MET A 68 -11.720 11.985 -5.604 1.00 0.00 S ATOM 1023 CE MET A 68 -12.732 13.052 -4.576 1.00 0.00 C ATOM 0 H MET A 68 -7.501 10.604 -7.477 1.00 0.00 H new ATOM 0 HA MET A 68 -10.025 11.772 -7.790 1.00 0.00 H new ATOM 0 HB2 MET A 68 -9.030 10.770 -5.706 1.00 0.00 H new ATOM 0 HB3 MET A 68 -7.999 12.179 -5.559 1.00 0.00 H new ATOM 0 HG2 MET A 68 -9.914 12.422 -4.090 1.00 0.00 H new ATOM 0 HG3 MET A 68 -9.995 13.631 -5.356 1.00 0.00 H new ATOM 0 HE1 MET A 68 -13.785 12.819 -4.736 1.00 0.00 H new ATOM 0 HE2 MET A 68 -12.480 12.892 -3.528 1.00 0.00 H new ATOM 0 HE3 MET A 68 -12.547 14.093 -4.839 1.00 0.00 H new ATOM 1033 N GLY A 69 -7.521 13.842 -8.074 1.00 0.00 N ATOM 1034 CA GLY A 69 -7.182 15.209 -8.413 1.00 0.00 C ATOM 1035 C GLY A 69 -6.196 15.814 -7.449 1.00 0.00 C ATOM 1036 O GLY A 69 -5.915 17.009 -7.504 1.00 0.00 O ATOM 0 H GLY A 69 -6.736 13.191 -8.076 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.765 15.238 -9.420 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -8.090 15.813 -8.426 1.00 0.00 H new ATOM 1040 N PHE A 70 -5.670 14.992 -6.567 1.00 0.00 N ATOM 1041 CA PHE A 70 -4.707 15.442 -5.584 1.00 0.00 C ATOM 1042 C PHE A 70 -3.373 14.778 -5.842 1.00 0.00 C ATOM 1043 O PHE A 70 -3.325 13.627 -6.287 1.00 0.00 O ATOM 1044 CB PHE A 70 -5.196 15.119 -4.171 1.00 0.00 C ATOM 1045 CG PHE A 70 -6.492 15.792 -3.825 1.00 0.00 C ATOM 1046 CD1 PHE A 70 -6.509 17.095 -3.366 1.00 0.00 C ATOM 1047 CD2 PHE A 70 -7.695 15.121 -3.970 1.00 0.00 C ATOM 1048 CE1 PHE A 70 -7.700 17.718 -3.055 1.00 0.00 C ATOM 1049 CE2 PHE A 70 -8.889 15.739 -3.662 1.00 0.00 C ATOM 1050 CZ PHE A 70 -8.891 17.037 -3.204 1.00 0.00 C ATOM 0 H PHE A 70 -5.896 13.999 -6.510 1.00 0.00 H new ATOM 0 HA PHE A 70 -4.592 16.523 -5.667 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -5.317 14.040 -4.073 1.00 0.00 H new ATOM 0 HB3 PHE A 70 -4.434 15.421 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 70 -5.579 17.632 -3.249 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -7.698 14.102 -4.328 1.00 0.00 H new ATOM 0 HE1 PHE A 70 -7.700 18.736 -2.696 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -9.821 15.205 -3.780 1.00 0.00 H new ATOM 0 HZ PHE A 70 -9.825 17.523 -2.961 1.00 0.00 H new ATOM 1060 N GLU A 71 -2.296 15.497 -5.593 1.00 0.00 N ATOM 1061 CA GLU A 71 -0.971 14.963 -5.827 1.00 0.00 C ATOM 1062 C GLU A 71 -0.608 13.922 -4.782 1.00 0.00 C ATOM 1063 O GLU A 71 -0.851 14.107 -3.589 1.00 0.00 O ATOM 1064 CB GLU A 71 0.084 16.071 -5.848 1.00 0.00 C ATOM 1065 CG GLU A 71 1.486 15.555 -6.151 1.00 0.00 C ATOM 1066 CD GLU A 71 2.528 16.643 -6.180 1.00 0.00 C ATOM 1067 OE1 GLU A 71 2.521 17.450 -7.129 1.00 0.00 O ATOM 1068 OE2 GLU A 71 3.380 16.679 -5.268 1.00 0.00 O ATOM 0 H GLU A 71 -2.313 16.450 -5.230 1.00 0.00 H new ATOM 0 HA GLU A 71 -0.986 14.485 -6.807 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -0.193 16.814 -6.596 1.00 0.00 H new ATOM 0 HB3 GLU A 71 0.090 16.577 -4.883 1.00 0.00 H new ATOM 0 HG2 GLU A 71 1.764 14.815 -5.400 1.00 0.00 H new ATOM 0 HG3 GLU A 71 1.477 15.044 -7.114 1.00 0.00 H new ATOM 1075 N ALA A 72 -0.039 12.835 -5.244 1.00 0.00 N ATOM 1076 CA ALA A 72 0.402 11.769 -4.385 1.00 0.00 C ATOM 1077 C ALA A 72 1.637 11.128 -4.983 1.00 0.00 C ATOM 1078 O ALA A 72 1.770 11.069 -6.207 1.00 0.00 O ATOM 1079 CB ALA A 72 -0.706 10.742 -4.218 1.00 0.00 C ATOM 0 H ALA A 72 0.131 12.666 -6.235 1.00 0.00 H new ATOM 0 HA ALA A 72 0.648 12.168 -3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -0.362 9.939 -3.566 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -1.581 11.219 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -0.970 10.330 -5.192 1.00 0.00 H new ATOM 1085 N SER A 73 2.547 10.663 -4.144 1.00 0.00 N ATOM 1086 CA SER A 73 3.754 10.030 -4.645 1.00 0.00 C ATOM 1087 C SER A 73 4.146 8.853 -3.772 1.00 0.00 C ATOM 1088 O SER A 73 4.045 8.916 -2.547 1.00 0.00 O ATOM 1089 CB SER A 73 4.892 11.046 -4.722 1.00 0.00 C ATOM 1090 OG SER A 73 6.075 10.464 -5.242 1.00 0.00 O ATOM 0 H SER A 73 2.475 10.711 -3.128 1.00 0.00 H new ATOM 0 HA SER A 73 3.555 9.655 -5.649 1.00 0.00 H new ATOM 0 HB2 SER A 73 4.591 11.884 -5.351 1.00 0.00 H new ATOM 0 HB3 SER A 73 5.090 11.448 -3.728 1.00 0.00 H new ATOM 0 HG SER A 73 6.783 11.140 -5.280 1.00 0.00 H new ATOM 1096 N ILE A 74 4.601 7.789 -4.407 1.00 0.00 N ATOM 1097 CA ILE A 74 4.969 6.575 -3.705 1.00 0.00 C ATOM 1098 C ILE A 74 6.445 6.573 -3.328 1.00 0.00 C ATOM 1099 O ILE A 74 7.293 7.093 -4.058 1.00 0.00 O ATOM 1100 CB ILE A 74 4.658 5.319 -4.553 1.00 0.00 C ATOM 1101 CG1 ILE A 74 5.382 5.393 -5.908 1.00 0.00 C ATOM 1102 CG2 ILE A 74 3.154 5.165 -4.747 1.00 0.00 C ATOM 1103 CD1 ILE A 74 5.267 4.135 -6.738 1.00 0.00 C ATOM 0 H ILE A 74 4.725 7.742 -5.418 1.00 0.00 H new ATOM 0 HA ILE A 74 4.372 6.547 -2.793 1.00 0.00 H new ATOM 0 HB ILE A 74 5.023 4.441 -4.020 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.979 6.230 -6.478 1.00 0.00 H new ATOM 0 HG13 ILE A 74 6.437 5.605 -5.733 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.953 4.277 -5.346 1.00 0.00 H new ATOM 0 HG22 ILE A 74 2.670 5.065 -3.775 1.00 0.00 H new ATOM 0 HG23 ILE A 74 2.761 6.044 -5.259 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.804 4.268 -7.677 1.00 0.00 H new ATOM 0 HD12 ILE A 74 5.697 3.297 -6.190 1.00 0.00 H new ATOM 0 HD13 ILE A 74 4.217 3.931 -6.946 1.00 0.00 H new ATOM 1115 N ALA A 75 6.739 5.995 -2.185 1.00 0.00 N ATOM 1116 CA ALA A 75 8.093 5.885 -1.699 1.00 0.00 C ATOM 1117 C ALA A 75 8.263 4.603 -0.899 1.00 0.00 C ATOM 1118 O ALA A 75 7.329 4.155 -0.220 1.00 0.00 O ATOM 1119 CB ALA A 75 8.452 7.094 -0.845 1.00 0.00 C ATOM 0 H ALA A 75 6.040 5.586 -1.564 1.00 0.00 H new ATOM 0 HA ALA A 75 8.767 5.854 -2.555 1.00 0.00 H new ATOM 0 HB1 ALA A 75 9.477 6.995 -0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 75 8.363 8.001 -1.443 1.00 0.00 H new ATOM 0 HB3 ALA A 75 7.774 7.152 0.006 1.00 0.00 H new ATOM 1125 N GLU A 76 9.447 4.022 -0.999 1.00 0.00 N ATOM 1126 CA GLU A 76 9.807 2.798 -0.293 1.00 0.00 C ATOM 1127 C GLU A 76 11.244 2.432 -0.642 1.00 0.00 C ATOM 1128 O GLU A 76 12.165 2.861 0.088 1.00 0.00 O ATOM 1129 CB GLU A 76 8.859 1.641 -0.666 1.00 0.00 C ATOM 1130 CG GLU A 76 9.090 0.356 0.128 1.00 0.00 C ATOM 1131 CD GLU A 76 8.871 0.521 1.620 1.00 0.00 C ATOM 1132 OE1 GLU A 76 9.837 0.859 2.336 1.00 0.00 O ATOM 1133 OE2 GLU A 76 7.737 0.296 2.091 1.00 0.00 O ATOM 1134 OXT GLU A 76 11.456 1.762 -1.674 1.00 0.00 O ATOM 0 H GLU A 76 10.199 4.391 -1.581 1.00 0.00 H new ATOM 0 HA GLU A 76 9.716 2.968 0.780 1.00 0.00 H new ATOM 0 HB2 GLU A 76 7.830 1.967 -0.515 1.00 0.00 H new ATOM 0 HB3 GLU A 76 8.972 1.423 -1.728 1.00 0.00 H new ATOM 0 HG2 GLU A 76 8.421 -0.419 -0.246 1.00 0.00 H new ATOM 0 HG3 GLU A 76 10.108 0.009 -0.046 1.00 0.00 H new