USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 632 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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 37 CYS SG : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.198 K(o=-0.2,f=-2.1!) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 THR OG1 : rot 110:sc= -0.105 USER MOD Single : A 65 THR OG1 : rot 71:sc= 1.09 USER MOD Single : A 67 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 MET CE :methyl -148:sc= -0.123 (180deg=-0.36) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -20.273 -0.878 -22.743 1.00 0.00 N ATOM 96 CA GLY A 7 -20.773 0.233 -21.951 1.00 0.00 C ATOM 97 C GLY A 7 -21.700 -0.260 -20.838 1.00 0.00 C ATOM 98 O GLY A 7 -21.481 0.039 -19.665 1.00 0.00 O ATOM 0 HA2 GLY A 7 -19.936 0.780 -21.517 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -21.310 0.930 -22.594 1.00 0.00 H new ATOM 102 N TYR A 8 -22.716 -1.007 -21.245 1.00 0.00 N ATOM 103 CA TYR A 8 -23.677 -1.544 -20.298 1.00 0.00 C ATOM 104 C TYR A 8 -22.969 -2.194 -19.107 1.00 0.00 C ATOM 105 O TYR A 8 -23.281 -1.896 -17.956 1.00 0.00 O ATOM 106 CB TYR A 8 -24.463 -2.616 -21.056 1.00 0.00 C ATOM 107 CG TYR A 8 -25.901 -2.795 -20.567 1.00 0.00 C ATOM 108 CD1 TYR A 8 -26.851 -1.833 -20.847 1.00 0.00 C ATOM 109 CD2 TYR A 8 -26.250 -3.918 -19.845 1.00 0.00 C ATOM 110 CE1 TYR A 8 -28.205 -2.002 -20.387 1.00 0.00 C ATOM 111 CE2 TYR A 8 -27.604 -4.087 -19.384 1.00 0.00 C ATOM 112 CZ TYR A 8 -28.514 -3.120 -19.678 1.00 0.00 C ATOM 113 OH TYR A 8 -29.793 -3.279 -19.243 1.00 0.00 O ATOM 0 H TYR A 8 -22.894 -1.253 -22.219 1.00 0.00 H new ATOM 0 HA TYR A 8 -24.318 -0.752 -19.911 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -24.480 -2.359 -22.115 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -23.939 -3.567 -20.967 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -26.578 -0.953 -21.411 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -25.507 -4.671 -19.625 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -28.958 -1.258 -20.600 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -27.890 -4.961 -18.818 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.869 -4.123 -18.752 1.00 0.00 H new ATOM 123 N ALA A 9 -22.028 -3.071 -19.426 1.00 0.00 N ATOM 124 CA ALA A 9 -21.273 -3.766 -18.398 1.00 0.00 C ATOM 125 C ALA A 9 -20.577 -2.740 -17.501 1.00 0.00 C ATOM 126 O ALA A 9 -20.449 -2.949 -16.296 1.00 0.00 O ATOM 127 CB ALA A 9 -20.285 -4.732 -19.054 1.00 0.00 C ATOM 0 H ALA A 9 -21.772 -3.316 -20.382 1.00 0.00 H new ATOM 0 HA ALA A 9 -21.937 -4.358 -17.768 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -19.719 -5.253 -18.282 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -20.831 -5.458 -19.656 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -19.600 -4.174 -19.692 1.00 0.00 H new ATOM 133 N ALA A 10 -20.144 -1.654 -18.125 1.00 0.00 N ATOM 134 CA ALA A 10 -19.464 -0.595 -17.398 1.00 0.00 C ATOM 135 C ALA A 10 -20.460 0.099 -16.467 1.00 0.00 C ATOM 136 O ALA A 10 -20.079 0.606 -15.412 1.00 0.00 O ATOM 137 CB ALA A 10 -18.822 0.375 -18.392 1.00 0.00 C ATOM 0 H ALA A 10 -20.251 -1.485 -19.125 1.00 0.00 H new ATOM 0 HA ALA A 10 -18.665 -1.005 -16.780 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -18.312 1.169 -17.847 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -18.102 -0.161 -19.010 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -19.594 0.809 -19.028 1.00 0.00 H new ATOM 143 N LEU A 11 -21.715 0.101 -16.890 1.00 0.00 N ATOM 144 CA LEU A 11 -22.768 0.725 -16.107 1.00 0.00 C ATOM 145 C LEU A 11 -23.029 -0.112 -14.853 1.00 0.00 C ATOM 146 O LEU A 11 -23.001 0.409 -13.738 1.00 0.00 O ATOM 147 CB LEU A 11 -24.014 0.948 -16.966 1.00 0.00 C ATOM 148 CG LEU A 11 -24.827 2.206 -16.654 1.00 0.00 C ATOM 149 CD1 LEU A 11 -24.274 3.418 -17.408 1.00 0.00 C ATOM 150 CD2 LEU A 11 -26.314 1.984 -16.940 1.00 0.00 C ATOM 0 H LEU A 11 -22.027 -0.320 -17.765 1.00 0.00 H new ATOM 0 HA LEU A 11 -22.458 1.715 -15.772 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -23.708 0.987 -18.011 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -24.666 0.082 -16.857 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.732 2.418 -15.589 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -24.870 4.299 -17.168 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -23.239 3.589 -17.113 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.319 3.231 -18.481 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.869 2.894 -16.710 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -26.449 1.734 -17.992 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -26.685 1.166 -16.322 1.00 0.00 H new ATOM 162 N VAL A 12 -23.275 -1.394 -15.076 1.00 0.00 N ATOM 163 CA VAL A 12 -23.540 -2.308 -13.977 1.00 0.00 C ATOM 164 C VAL A 12 -22.409 -2.208 -12.952 1.00 0.00 C ATOM 165 O VAL A 12 -22.659 -2.018 -11.763 1.00 0.00 O ATOM 166 CB VAL A 12 -23.738 -3.727 -14.513 1.00 0.00 C ATOM 167 CG1 VAL A 12 -23.663 -4.755 -13.382 1.00 0.00 C ATOM 168 CG2 VAL A 12 -25.059 -3.846 -15.276 1.00 0.00 C ATOM 0 H VAL A 12 -23.297 -1.822 -16.001 1.00 0.00 H new ATOM 0 HA VAL A 12 -24.464 -2.035 -13.468 1.00 0.00 H new ATOM 0 HB VAL A 12 -22.928 -3.938 -15.212 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -23.807 -5.756 -13.790 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -22.687 -4.696 -12.901 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -24.442 -4.547 -12.649 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -25.175 -4.865 -15.646 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -25.887 -3.606 -14.609 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -25.057 -3.152 -16.117 1.00 0.00 H new ATOM 178 N THR A 13 -21.189 -2.340 -13.451 1.00 0.00 N ATOM 179 CA THR A 13 -20.018 -2.267 -12.593 1.00 0.00 C ATOM 180 C THR A 13 -20.049 -0.986 -11.757 1.00 0.00 C ATOM 181 O THR A 13 -20.015 -1.041 -10.528 1.00 0.00 O ATOM 182 CB THR A 13 -18.775 -2.385 -13.477 1.00 0.00 C ATOM 183 OG1 THR A 13 -18.661 -3.783 -13.730 1.00 0.00 O ATOM 184 CG2 THR A 13 -17.488 -2.035 -12.729 1.00 0.00 C ATOM 0 H THR A 13 -20.986 -2.497 -14.438 1.00 0.00 H new ATOM 0 HA THR A 13 -20.003 -3.087 -11.875 1.00 0.00 H new ATOM 0 HB THR A 13 -18.881 -1.729 -14.341 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.881 -3.950 -14.299 1.00 0.00 H new ATOM 0 HG21 THR A 13 -16.637 -2.135 -13.403 1.00 0.00 H new ATOM 0 HG22 THR A 13 -17.545 -1.008 -12.367 1.00 0.00 H new ATOM 0 HG23 THR A 13 -17.363 -2.711 -11.884 1.00 0.00 H new ATOM 192 N PHE A 14 -20.112 0.138 -12.456 1.00 0.00 N ATOM 193 CA PHE A 14 -20.148 1.431 -11.793 1.00 0.00 C ATOM 194 C PHE A 14 -21.106 1.409 -10.600 1.00 0.00 C ATOM 195 O PHE A 14 -20.698 1.663 -9.468 1.00 0.00 O ATOM 196 CB PHE A 14 -20.654 2.446 -12.820 1.00 0.00 C ATOM 197 CG PHE A 14 -20.063 3.847 -12.654 1.00 0.00 C ATOM 198 CD1 PHE A 14 -20.177 4.496 -11.464 1.00 0.00 C ATOM 199 CD2 PHE A 14 -19.425 4.444 -13.696 1.00 0.00 C ATOM 200 CE1 PHE A 14 -19.628 5.796 -11.309 1.00 0.00 C ATOM 201 CE2 PHE A 14 -18.876 5.744 -13.541 1.00 0.00 C ATOM 202 CZ PHE A 14 -18.989 6.393 -12.351 1.00 0.00 C ATOM 0 H PHE A 14 -20.139 0.180 -13.475 1.00 0.00 H new ATOM 0 HA PHE A 14 -19.155 1.687 -11.423 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -20.422 2.081 -13.821 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -21.740 2.510 -12.748 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -20.685 4.022 -10.637 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -19.336 3.929 -14.641 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -19.718 6.311 -10.364 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -18.368 6.218 -14.368 1.00 0.00 H new ATOM 0 HZ PHE A 14 -18.571 7.382 -12.233 1.00 0.00 H new ATOM 212 N GLY A 15 -22.361 1.103 -10.895 1.00 0.00 N ATOM 213 CA GLY A 15 -23.379 1.045 -9.861 1.00 0.00 C ATOM 214 C GLY A 15 -23.013 0.018 -8.788 1.00 0.00 C ATOM 215 O GLY A 15 -22.760 0.378 -7.639 1.00 0.00 O ATOM 0 H GLY A 15 -22.695 0.893 -11.835 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -23.495 2.028 -9.404 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -24.340 0.785 -10.306 1.00 0.00 H new ATOM 219 N SER A 16 -22.997 -1.241 -9.200 1.00 0.00 N ATOM 220 CA SER A 16 -22.666 -2.323 -8.288 1.00 0.00 C ATOM 221 C SER A 16 -21.548 -1.885 -7.340 1.00 0.00 C ATOM 222 O SER A 16 -21.758 -1.784 -6.132 1.00 0.00 O ATOM 223 CB SER A 16 -22.251 -3.581 -9.054 1.00 0.00 C ATOM 224 OG SER A 16 -22.279 -4.742 -8.229 1.00 0.00 O ATOM 0 H SER A 16 -23.208 -1.536 -10.153 1.00 0.00 H new ATOM 0 HA SER A 16 -23.555 -2.563 -7.704 1.00 0.00 H new ATOM 0 HB2 SER A 16 -22.918 -3.724 -9.904 1.00 0.00 H new ATOM 0 HB3 SER A 16 -21.247 -3.446 -9.456 1.00 0.00 H new ATOM 0 HG SER A 16 -22.010 -5.524 -8.755 1.00 0.00 H new ATOM 230 N ILE A 17 -20.385 -1.636 -7.923 1.00 0.00 N ATOM 231 CA ILE A 17 -19.233 -1.212 -7.146 1.00 0.00 C ATOM 232 C ILE A 17 -19.664 -0.126 -6.157 1.00 0.00 C ATOM 233 O ILE A 17 -19.308 -0.176 -4.981 1.00 0.00 O ATOM 234 CB ILE A 17 -18.091 -0.785 -8.069 1.00 0.00 C ATOM 235 CG1 ILE A 17 -17.174 -1.967 -8.390 1.00 0.00 C ATOM 236 CG2 ILE A 17 -17.318 0.395 -7.476 1.00 0.00 C ATOM 237 CD1 ILE A 17 -17.940 -3.072 -9.120 1.00 0.00 C ATOM 0 H ILE A 17 -20.216 -1.720 -8.925 1.00 0.00 H new ATOM 0 HA ILE A 17 -18.842 -2.043 -6.559 1.00 0.00 H new ATOM 0 HB ILE A 17 -18.522 -0.447 -9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -16.341 -1.629 -9.006 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -16.748 -2.363 -7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -16.512 0.678 -8.152 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.992 1.241 -7.341 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.899 0.108 -6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -17.265 -3.900 -9.337 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -18.757 -3.425 -8.491 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -18.344 -2.679 -10.053 1.00 0.00 H new ATOM 249 N PHE A 18 -20.422 0.831 -6.672 1.00 0.00 N ATOM 250 CA PHE A 18 -20.905 1.927 -5.849 1.00 0.00 C ATOM 251 C PHE A 18 -21.571 1.405 -4.575 1.00 0.00 C ATOM 252 O PHE A 18 -21.319 1.914 -3.484 1.00 0.00 O ATOM 253 CB PHE A 18 -21.942 2.686 -6.679 1.00 0.00 C ATOM 254 CG PHE A 18 -21.926 4.200 -6.461 1.00 0.00 C ATOM 255 CD1 PHE A 18 -20.854 4.934 -6.862 1.00 0.00 C ATOM 256 CD2 PHE A 18 -22.985 4.813 -5.866 1.00 0.00 C ATOM 257 CE1 PHE A 18 -20.839 6.339 -6.660 1.00 0.00 C ATOM 258 CE2 PHE A 18 -22.970 6.218 -5.663 1.00 0.00 C ATOM 259 CZ PHE A 18 -21.897 6.952 -6.065 1.00 0.00 C ATOM 0 H PHE A 18 -20.714 0.870 -7.649 1.00 0.00 H new ATOM 0 HA PHE A 18 -20.072 2.566 -5.555 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -21.769 2.479 -7.735 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.934 2.305 -6.438 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -20.013 4.448 -7.335 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -23.837 4.231 -5.548 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.987 6.921 -6.979 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -23.810 6.704 -5.190 1.00 0.00 H new ATOM 0 HZ PHE A 18 -21.886 8.021 -5.912 1.00 0.00 H new ATOM 269 N GLY A 19 -22.409 0.394 -4.755 1.00 0.00 N ATOM 270 CA GLY A 19 -23.113 -0.204 -3.634 1.00 0.00 C ATOM 271 C GLY A 19 -22.198 -1.147 -2.851 1.00 0.00 C ATOM 272 O GLY A 19 -22.471 -1.465 -1.694 1.00 0.00 O ATOM 0 H GLY A 19 -22.616 -0.026 -5.661 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.484 0.580 -2.973 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.982 -0.753 -3.997 1.00 0.00 H new ATOM 276 N TYR A 20 -21.130 -1.568 -3.512 1.00 0.00 N ATOM 277 CA TYR A 20 -20.173 -2.469 -2.893 1.00 0.00 C ATOM 278 C TYR A 20 -20.863 -3.735 -2.381 1.00 0.00 C ATOM 279 O TYR A 20 -21.582 -3.694 -1.384 1.00 0.00 O ATOM 280 CB TYR A 20 -19.585 -1.706 -1.704 1.00 0.00 C ATOM 281 CG TYR A 20 -18.074 -1.484 -1.792 1.00 0.00 C ATOM 282 CD1 TYR A 20 -17.207 -2.528 -1.543 1.00 0.00 C ATOM 283 CD2 TYR A 20 -17.578 -0.239 -2.122 1.00 0.00 C ATOM 284 CE1 TYR A 20 -15.785 -2.319 -1.627 1.00 0.00 C ATOM 285 CE2 TYR A 20 -16.156 -0.030 -2.205 1.00 0.00 C ATOM 286 CZ TYR A 20 -15.329 -1.080 -1.954 1.00 0.00 C ATOM 287 OH TYR A 20 -13.986 -0.882 -2.032 1.00 0.00 O ATOM 0 H TYR A 20 -20.906 -1.302 -4.471 1.00 0.00 H new ATOM 0 HA TYR A 20 -19.413 -2.774 -3.612 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -20.080 -0.738 -1.626 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.809 -2.253 -0.788 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -17.595 -3.502 -1.285 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -18.256 0.578 -2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -15.096 -3.128 -1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -15.755 0.939 -2.461 1.00 0.00 H new ATOM 0 HH TYR A 20 -13.806 0.050 -2.276 1.00 0.00 H new ATOM 297 N LYS A 21 -20.620 -4.829 -3.087 1.00 0.00 N ATOM 298 CA LYS A 21 -21.209 -6.105 -2.717 1.00 0.00 C ATOM 299 C LYS A 21 -20.599 -7.213 -3.578 1.00 0.00 C ATOM 300 O LYS A 21 -21.307 -7.879 -4.332 1.00 0.00 O ATOM 301 CB LYS A 21 -22.735 -6.034 -2.797 1.00 0.00 C ATOM 302 CG LYS A 21 -23.381 -7.124 -1.940 1.00 0.00 C ATOM 303 CD LYS A 21 -24.723 -6.655 -1.376 1.00 0.00 C ATOM 304 CE LYS A 21 -25.744 -7.795 -1.372 1.00 0.00 C ATOM 305 NZ LYS A 21 -26.410 -7.890 -0.054 1.00 0.00 N ATOM 0 H LYS A 21 -20.023 -4.859 -3.914 1.00 0.00 H new ATOM 0 HA LYS A 21 -20.978 -6.344 -1.679 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -23.075 -5.054 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -23.054 -6.145 -3.833 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -23.528 -8.023 -2.539 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -22.713 -7.392 -1.122 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -24.585 -6.282 -0.361 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -25.102 -5.825 -1.972 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -26.488 -7.627 -2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -25.247 -8.737 -1.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -27.099 -8.668 -0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -25.698 -8.072 0.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -26.901 -6.997 0.152 1.00 0.00 H new ATOM 319 N ARG A 22 -19.291 -7.375 -3.438 1.00 0.00 N ATOM 320 CA ARG A 22 -18.578 -8.390 -4.194 1.00 0.00 C ATOM 321 C ARG A 22 -17.995 -9.443 -3.249 1.00 0.00 C ATOM 322 O ARG A 22 -18.167 -9.356 -2.034 1.00 0.00 O ATOM 323 CB ARG A 22 -17.447 -7.771 -5.017 1.00 0.00 C ATOM 324 CG ARG A 22 -17.578 -8.144 -6.495 1.00 0.00 C ATOM 325 CD ARG A 22 -16.205 -8.199 -7.170 1.00 0.00 C ATOM 326 NE ARG A 22 -15.722 -9.597 -7.221 1.00 0.00 N ATOM 327 CZ ARG A 22 -14.482 -9.950 -7.587 1.00 0.00 C ATOM 328 NH1 ARG A 22 -13.593 -9.010 -7.936 1.00 0.00 N ATOM 329 NH2 ARG A 22 -14.131 -11.243 -7.603 1.00 0.00 N ATOM 0 H ARG A 22 -18.707 -6.820 -2.812 1.00 0.00 H new ATOM 0 HA ARG A 22 -19.290 -8.860 -4.873 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -17.465 -6.687 -4.909 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -16.485 -8.113 -4.636 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -18.072 -9.111 -6.587 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -18.208 -7.415 -7.003 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -16.270 -7.791 -8.179 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.495 -7.580 -6.621 1.00 0.00 H new ATOM 0 HE ARG A 22 -16.373 -10.338 -6.961 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -13.860 -8.026 -7.923 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -12.649 -9.279 -8.215 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -14.807 -11.958 -7.337 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -13.187 -11.512 -7.882 1.00 0.00 H new ATOM 343 N ARG A 23 -17.316 -10.414 -3.843 1.00 0.00 N ATOM 344 CA ARG A 23 -16.706 -11.482 -3.070 1.00 0.00 C ATOM 345 C ARG A 23 -15.525 -12.084 -3.835 1.00 0.00 C ATOM 346 O ARG A 23 -15.662 -13.124 -4.477 1.00 0.00 O ATOM 347 CB ARG A 23 -17.719 -12.585 -2.759 1.00 0.00 C ATOM 348 CG ARG A 23 -17.540 -13.108 -1.333 1.00 0.00 C ATOM 349 CD ARG A 23 -17.858 -14.603 -1.253 1.00 0.00 C ATOM 350 NE ARG A 23 -19.123 -14.812 -0.513 1.00 0.00 N ATOM 351 CZ ARG A 23 -19.486 -15.979 0.038 1.00 0.00 C ATOM 352 NH1 ARG A 23 -18.684 -17.047 -0.064 1.00 0.00 N ATOM 353 NH2 ARG A 23 -20.652 -16.076 0.691 1.00 0.00 N ATOM 0 H ARG A 23 -17.175 -10.483 -4.851 1.00 0.00 H new ATOM 0 HA ARG A 23 -16.354 -11.053 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -18.731 -12.200 -2.885 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -17.599 -13.404 -3.468 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -16.516 -12.932 -1.003 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -18.192 -12.557 -0.655 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -17.941 -15.020 -2.257 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -17.044 -15.130 -0.755 1.00 0.00 H new ATOM 0 HE ARG A 23 -19.758 -14.019 -0.416 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -17.796 -16.973 -0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -18.961 -17.935 0.355 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -21.262 -15.262 0.768 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -20.929 -16.963 1.111 1.00 0.00 H new ATOM 367 N GLY A 24 -14.392 -11.404 -3.742 1.00 0.00 N ATOM 368 CA GLY A 24 -13.188 -11.858 -4.417 1.00 0.00 C ATOM 369 C GLY A 24 -12.147 -12.350 -3.410 1.00 0.00 C ATOM 370 O GLY A 24 -11.697 -13.493 -3.485 1.00 0.00 O ATOM 0 H GLY A 24 -14.282 -10.541 -3.209 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.437 -12.662 -5.110 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -12.770 -11.044 -5.009 1.00 0.00 H new ATOM 374 N GLY A 25 -11.794 -11.463 -2.491 1.00 0.00 N ATOM 375 CA GLY A 25 -10.814 -11.793 -1.470 1.00 0.00 C ATOM 376 C GLY A 25 -9.397 -11.467 -1.945 1.00 0.00 C ATOM 377 O GLY A 25 -8.719 -12.317 -2.520 1.00 0.00 O ATOM 0 H GLY A 25 -12.169 -10.516 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -11.033 -11.238 -0.558 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -10.884 -12.852 -1.223 1.00 0.00 H new ATOM 381 N VAL A 26 -8.990 -10.232 -1.687 1.00 0.00 N ATOM 382 CA VAL A 26 -7.666 -9.783 -2.081 1.00 0.00 C ATOM 383 C VAL A 26 -6.832 -9.507 -0.828 1.00 0.00 C ATOM 384 O VAL A 26 -6.896 -8.416 -0.263 1.00 0.00 O ATOM 385 CB VAL A 26 -7.779 -8.567 -3.003 1.00 0.00 C ATOM 386 CG1 VAL A 26 -8.227 -8.983 -4.406 1.00 0.00 C ATOM 387 CG2 VAL A 26 -8.724 -7.518 -2.414 1.00 0.00 C ATOM 0 H VAL A 26 -9.554 -9.529 -1.210 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.153 -10.559 -2.649 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.790 -8.117 -3.087 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.299 -8.100 -5.041 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -7.500 -9.676 -4.829 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -9.201 -9.469 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -8.786 -6.664 -3.089 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -9.715 -7.952 -2.286 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -8.345 -7.189 -1.447 1.00 0.00 H new ATOM 397 N PRO A 27 -6.049 -10.541 -0.420 1.00 0.00 N ATOM 398 CA PRO A 27 -5.204 -10.421 0.756 1.00 0.00 C ATOM 399 C PRO A 27 -3.973 -9.561 0.461 1.00 0.00 C ATOM 400 O PRO A 27 -3.504 -9.511 -0.675 1.00 0.00 O ATOM 401 CB PRO A 27 -4.852 -11.851 1.135 1.00 0.00 C ATOM 402 CG PRO A 27 -5.125 -12.689 -0.103 1.00 0.00 C ATOM 403 CD PRO A 27 -5.948 -11.847 -1.064 1.00 0.00 C ATOM 0 HA PRO A 27 -5.703 -9.915 1.583 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -3.808 -11.929 1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -5.454 -12.191 1.978 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -4.189 -12.996 -0.570 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.662 -13.599 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -5.465 -11.772 -2.038 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -6.933 -12.284 -1.230 1.00 0.00 H new ATOM 411 N SER A 28 -3.487 -8.904 1.504 1.00 0.00 N ATOM 412 CA SER A 28 -2.320 -8.048 1.371 1.00 0.00 C ATOM 413 C SER A 28 -2.743 -6.657 0.895 1.00 0.00 C ATOM 414 O SER A 28 -2.592 -5.676 1.621 1.00 0.00 O ATOM 415 CB SER A 28 -1.301 -8.653 0.403 1.00 0.00 C ATOM 416 OG SER A 28 0.040 -8.401 0.815 1.00 0.00 O ATOM 0 H SER A 28 -3.880 -8.947 2.444 1.00 0.00 H new ATOM 0 HA SER A 28 -1.846 -7.962 2.349 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.463 -9.729 0.332 1.00 0.00 H new ATOM 0 HB3 SER A 28 -1.458 -8.240 -0.594 1.00 0.00 H new ATOM 0 HG SER A 28 0.661 -8.804 0.173 1.00 0.00 H new ATOM 422 N LEU A 29 -3.265 -6.616 -0.322 1.00 0.00 N ATOM 423 CA LEU A 29 -3.712 -5.362 -0.903 1.00 0.00 C ATOM 424 C LEU A 29 -4.455 -4.549 0.158 1.00 0.00 C ATOM 425 O LEU A 29 -4.139 -3.382 0.386 1.00 0.00 O ATOM 426 CB LEU A 29 -4.533 -5.619 -2.168 1.00 0.00 C ATOM 427 CG LEU A 29 -3.744 -6.059 -3.403 1.00 0.00 C ATOM 428 CD1 LEU A 29 -3.463 -7.563 -3.367 1.00 0.00 C ATOM 429 CD2 LEU A 29 -4.459 -5.640 -4.689 1.00 0.00 C ATOM 0 H LEU A 29 -3.388 -7.432 -0.922 1.00 0.00 H new ATOM 0 HA LEU A 29 -2.858 -4.765 -1.222 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.277 -6.384 -1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -5.077 -4.708 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.780 -5.551 -3.391 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -2.901 -7.850 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -2.881 -7.803 -2.477 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -4.406 -8.109 -3.342 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.877 -5.965 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.446 -6.101 -4.723 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.564 -4.555 -4.710 1.00 0.00 H new ATOM 441 N ILE A 30 -5.430 -5.197 0.779 1.00 0.00 N ATOM 442 CA ILE A 30 -6.221 -4.549 1.811 1.00 0.00 C ATOM 443 C ILE A 30 -5.286 -3.877 2.818 1.00 0.00 C ATOM 444 O ILE A 30 -5.465 -2.706 3.152 1.00 0.00 O ATOM 445 CB ILE A 30 -7.194 -5.545 2.445 1.00 0.00 C ATOM 446 CG1 ILE A 30 -6.466 -6.813 2.894 1.00 0.00 C ATOM 447 CG2 ILE A 30 -8.355 -5.856 1.498 1.00 0.00 C ATOM 448 CD1 ILE A 30 -6.248 -6.812 4.409 1.00 0.00 C ATOM 0 H ILE A 30 -5.690 -6.164 0.587 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.841 -3.764 1.379 1.00 0.00 H new ATOM 0 HB ILE A 30 -7.620 -5.085 3.337 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -7.045 -7.690 2.607 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -5.505 -6.885 2.385 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -9.032 -6.566 1.973 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -8.895 -4.937 1.270 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -7.966 -6.287 0.575 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -5.729 -7.724 4.702 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.648 -5.946 4.690 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.212 -6.765 4.915 1.00 0.00 H new ATOM 460 N ALA A 31 -4.308 -4.646 3.274 1.00 0.00 N ATOM 461 CA ALA A 31 -3.345 -4.140 4.236 1.00 0.00 C ATOM 462 C ALA A 31 -2.706 -2.862 3.688 1.00 0.00 C ATOM 463 O ALA A 31 -2.451 -1.920 4.437 1.00 0.00 O ATOM 464 CB ALA A 31 -2.309 -5.224 4.541 1.00 0.00 C ATOM 0 H ALA A 31 -4.162 -5.616 2.995 1.00 0.00 H new ATOM 0 HA ALA A 31 -3.838 -3.887 5.174 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.586 -4.844 5.263 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -2.809 -6.099 4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.792 -5.502 3.622 1.00 0.00 H new ATOM 470 N GLY A 32 -2.466 -2.870 2.385 1.00 0.00 N ATOM 471 CA GLY A 32 -1.862 -1.724 1.727 1.00 0.00 C ATOM 472 C GLY A 32 -2.837 -0.546 1.675 1.00 0.00 C ATOM 473 O GLY A 32 -2.419 0.611 1.680 1.00 0.00 O ATOM 0 H GLY A 32 -2.679 -3.653 1.767 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.958 -1.429 2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.562 -1.997 0.715 1.00 0.00 H new ATOM 477 N LEU A 33 -4.118 -0.880 1.626 1.00 0.00 N ATOM 478 CA LEU A 33 -5.156 0.135 1.572 1.00 0.00 C ATOM 479 C LEU A 33 -5.240 0.844 2.926 1.00 0.00 C ATOM 480 O LEU A 33 -4.985 2.043 3.020 1.00 0.00 O ATOM 481 CB LEU A 33 -6.481 -0.476 1.115 1.00 0.00 C ATOM 482 CG LEU A 33 -6.963 -0.067 -0.279 1.00 0.00 C ATOM 483 CD1 LEU A 33 -7.209 1.441 -0.354 1.00 0.00 C ATOM 484 CD2 LEU A 33 -5.987 -0.543 -1.357 1.00 0.00 C ATOM 0 H LEU A 33 -4.461 -1.841 1.623 1.00 0.00 H new ATOM 0 HA LEU A 33 -4.909 0.893 0.829 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.386 -1.562 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.251 -0.206 1.838 1.00 0.00 H new ATOM 0 HG LEU A 33 -7.917 -0.558 -0.468 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.551 1.705 -1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -7.969 1.722 0.375 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.283 1.972 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -6.352 -0.240 -2.338 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.007 -0.100 -1.182 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.906 -1.629 -1.320 1.00 0.00 H new ATOM 496 N PHE A 34 -5.599 0.071 3.941 1.00 0.00 N ATOM 497 CA PHE A 34 -5.720 0.609 5.285 1.00 0.00 C ATOM 498 C PHE A 34 -4.445 1.348 5.697 1.00 0.00 C ATOM 499 O PHE A 34 -4.509 2.458 6.223 1.00 0.00 O ATOM 500 CB PHE A 34 -5.934 -0.579 6.225 1.00 0.00 C ATOM 501 CG PHE A 34 -7.381 -0.750 6.693 1.00 0.00 C ATOM 502 CD1 PHE A 34 -8.371 -0.946 5.782 1.00 0.00 C ATOM 503 CD2 PHE A 34 -7.676 -0.705 8.020 1.00 0.00 C ATOM 504 CE1 PHE A 34 -9.714 -1.105 6.216 1.00 0.00 C ATOM 505 CE2 PHE A 34 -9.018 -0.864 8.454 1.00 0.00 C ATOM 506 CZ PHE A 34 -10.009 -1.060 7.543 1.00 0.00 C ATOM 0 H PHE A 34 -5.810 -0.924 3.859 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.548 1.317 5.329 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.616 -1.491 5.719 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.292 -0.459 7.098 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -8.136 -0.981 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -6.889 -0.548 8.743 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -10.501 -1.262 5.493 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.252 -0.829 9.508 1.00 0.00 H new ATOM 0 HZ PHE A 34 -11.030 -1.180 7.873 1.00 0.00 H new ATOM 516 N VAL A 35 -3.317 0.702 5.441 1.00 0.00 N ATOM 517 CA VAL A 35 -2.029 1.283 5.779 1.00 0.00 C ATOM 518 C VAL A 35 -1.864 2.612 5.039 1.00 0.00 C ATOM 519 O VAL A 35 -1.889 3.677 5.655 1.00 0.00 O ATOM 520 CB VAL A 35 -0.909 0.287 5.475 1.00 0.00 C ATOM 521 CG1 VAL A 35 0.464 0.952 5.591 1.00 0.00 C ATOM 522 CG2 VAL A 35 -1.003 -0.939 6.385 1.00 0.00 C ATOM 0 H VAL A 35 -3.268 -0.218 5.003 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.975 1.496 6.847 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.032 -0.050 4.446 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.242 0.221 5.370 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.529 1.778 4.882 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.600 1.332 6.604 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.195 -1.631 6.148 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.919 -0.627 7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.962 -1.434 6.231 1.00 0.00 H new ATOM 532 N GLY A 36 -1.700 2.507 3.729 1.00 0.00 N ATOM 533 CA GLY A 36 -1.531 3.687 2.898 1.00 0.00 C ATOM 534 C GLY A 36 -2.458 4.815 3.354 1.00 0.00 C ATOM 535 O GLY A 36 -2.022 5.953 3.521 1.00 0.00 O ATOM 0 H GLY A 36 -1.681 1.622 3.222 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.495 4.022 2.943 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.741 3.437 1.858 1.00 0.00 H new ATOM 539 N CYS A 37 -3.721 4.461 3.542 1.00 0.00 N ATOM 540 CA CYS A 37 -4.714 5.429 3.976 1.00 0.00 C ATOM 541 C CYS A 37 -4.216 6.083 5.266 1.00 0.00 C ATOM 542 O CYS A 37 -3.863 7.262 5.272 1.00 0.00 O ATOM 543 CB CYS A 37 -6.090 4.786 4.156 1.00 0.00 C ATOM 544 SG CYS A 37 -7.144 5.143 2.704 1.00 0.00 S ATOM 0 H CYS A 37 -4.080 3.516 3.402 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.841 6.193 3.209 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.983 3.709 4.282 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.563 5.167 5.061 1.00 0.00 H new ATOM 0 HG CYS A 37 -8.309 4.590 2.867 1.00 0.00 H new ATOM 550 N LEU A 38 -4.203 5.290 6.327 1.00 0.00 N ATOM 551 CA LEU A 38 -3.755 5.778 7.620 1.00 0.00 C ATOM 552 C LEU A 38 -2.531 6.676 7.425 1.00 0.00 C ATOM 553 O LEU A 38 -2.383 7.686 8.112 1.00 0.00 O ATOM 554 CB LEU A 38 -3.513 4.610 8.579 1.00 0.00 C ATOM 555 CG LEU A 38 -3.325 4.979 10.052 1.00 0.00 C ATOM 556 CD1 LEU A 38 -4.670 5.030 10.780 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.339 4.028 10.734 1.00 0.00 C ATOM 0 H LEU A 38 -4.496 4.313 6.318 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.529 6.388 8.086 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.355 3.922 8.502 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -2.628 4.069 8.245 1.00 0.00 H new ATOM 0 HG LEU A 38 -2.894 5.979 10.102 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.508 5.294 11.825 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.309 5.778 10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.152 4.054 10.723 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.223 4.312 11.780 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.718 3.008 10.675 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.372 4.086 10.233 1.00 0.00 H new ATOM 569 N ALA A 39 -1.687 6.276 6.486 1.00 0.00 N ATOM 570 CA ALA A 39 -0.481 7.032 6.192 1.00 0.00 C ATOM 571 C ALA A 39 -0.865 8.453 5.775 1.00 0.00 C ATOM 572 O ALA A 39 -0.772 9.385 6.572 1.00 0.00 O ATOM 573 CB ALA A 39 0.327 6.306 5.115 1.00 0.00 C ATOM 0 H ALA A 39 -1.814 5.438 5.918 1.00 0.00 H new ATOM 0 HA ALA A 39 0.151 7.107 7.077 1.00 0.00 H new ATOM 0 HB1 ALA A 39 1.231 6.873 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.599 5.313 5.472 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.273 6.214 4.210 1.00 0.00 H new ATOM 579 N GLY A 40 -1.289 8.575 4.525 1.00 0.00 N ATOM 580 CA GLY A 40 -1.687 9.866 3.992 1.00 0.00 C ATOM 581 C GLY A 40 -2.747 10.522 4.879 1.00 0.00 C ATOM 582 O GLY A 40 -2.491 11.552 5.502 1.00 0.00 O ATOM 0 H GLY A 40 -1.365 7.800 3.866 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.816 10.517 3.918 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.079 9.742 2.982 1.00 0.00 H new ATOM 586 N TYR A 41 -3.916 9.899 4.908 1.00 0.00 N ATOM 587 CA TYR A 41 -5.017 10.409 5.708 1.00 0.00 C ATOM 588 C TYR A 41 -4.530 10.856 7.089 1.00 0.00 C ATOM 589 O TYR A 41 -4.715 12.009 7.473 1.00 0.00 O ATOM 590 CB TYR A 41 -5.991 9.242 5.878 1.00 0.00 C ATOM 591 CG TYR A 41 -7.314 9.628 6.543 1.00 0.00 C ATOM 592 CD1 TYR A 41 -8.302 10.250 5.807 1.00 0.00 C ATOM 593 CD2 TYR A 41 -7.520 9.353 7.880 1.00 0.00 C ATOM 594 CE1 TYR A 41 -9.546 10.613 6.433 1.00 0.00 C ATOM 595 CE2 TYR A 41 -8.764 9.716 8.506 1.00 0.00 C ATOM 596 CZ TYR A 41 -9.717 10.328 7.752 1.00 0.00 C ATOM 597 OH TYR A 41 -10.892 10.670 8.343 1.00 0.00 O ATOM 0 H TYR A 41 -4.125 9.045 4.390 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.477 11.270 5.223 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.200 8.811 4.899 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -5.511 8.465 6.472 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -8.142 10.464 4.761 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -6.748 8.865 8.456 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -10.326 11.101 5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -8.937 9.507 9.551 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.873 10.405 9.286 1.00 0.00 H new ATOM 607 N GLY A 42 -3.917 9.918 7.796 1.00 0.00 N ATOM 608 CA GLY A 42 -3.402 10.201 9.125 1.00 0.00 C ATOM 609 C GLY A 42 -2.542 11.466 9.123 1.00 0.00 C ATOM 610 O GLY A 42 -2.765 12.374 9.923 1.00 0.00 O ATOM 0 H GLY A 42 -3.765 8.962 7.474 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -4.231 10.322 9.822 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.811 9.356 9.477 1.00 0.00 H new ATOM 614 N ALA A 43 -1.578 11.486 8.215 1.00 0.00 N ATOM 615 CA ALA A 43 -0.684 12.625 8.098 1.00 0.00 C ATOM 616 C ALA A 43 -1.510 13.901 7.925 1.00 0.00 C ATOM 617 O ALA A 43 -1.100 14.975 8.365 1.00 0.00 O ATOM 618 CB ALA A 43 0.285 12.397 6.935 1.00 0.00 C ATOM 0 H ALA A 43 -1.396 10.731 7.553 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.087 12.738 9.003 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.956 13.252 6.847 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.869 11.495 7.119 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.279 12.282 6.009 1.00 0.00 H new ATOM 624 N TYR A 44 -2.659 13.743 7.285 1.00 0.00 N ATOM 625 CA TYR A 44 -3.546 14.869 7.049 1.00 0.00 C ATOM 626 C TYR A 44 -4.326 15.227 8.316 1.00 0.00 C ATOM 627 O TYR A 44 -4.680 16.386 8.524 1.00 0.00 O ATOM 628 CB TYR A 44 -4.531 14.411 5.971 1.00 0.00 C ATOM 629 CG TYR A 44 -5.134 15.555 5.153 1.00 0.00 C ATOM 630 CD1 TYR A 44 -6.243 16.229 5.622 1.00 0.00 C ATOM 631 CD2 TYR A 44 -4.568 15.913 3.946 1.00 0.00 C ATOM 632 CE1 TYR A 44 -6.810 17.305 4.852 1.00 0.00 C ATOM 633 CE2 TYR A 44 -5.135 16.989 3.176 1.00 0.00 C ATOM 634 CZ TYR A 44 -6.228 17.632 3.667 1.00 0.00 C ATOM 635 OH TYR A 44 -6.764 18.649 2.940 1.00 0.00 O ATOM 0 H TYR A 44 -2.996 12.851 6.922 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.977 15.749 6.749 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.021 13.724 5.295 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.338 13.852 6.445 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -6.686 15.949 6.567 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.700 15.386 3.579 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.678 17.841 5.207 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.702 17.279 2.230 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.245 18.772 2.118 1.00 0.00 H new ATOM 645 N ARG A 45 -4.570 14.210 9.130 1.00 0.00 N ATOM 646 CA ARG A 45 -5.301 14.403 10.370 1.00 0.00 C ATOM 647 C ARG A 45 -4.363 14.915 11.465 1.00 0.00 C ATOM 648 O ARG A 45 -4.505 16.044 11.931 1.00 0.00 O ATOM 649 CB ARG A 45 -5.952 13.098 10.835 1.00 0.00 C ATOM 650 CG ARG A 45 -7.196 13.377 11.680 1.00 0.00 C ATOM 651 CD ARG A 45 -7.021 12.848 13.105 1.00 0.00 C ATOM 652 NE ARG A 45 -7.490 11.446 13.185 1.00 0.00 N ATOM 653 CZ ARG A 45 -8.766 11.091 13.389 1.00 0.00 C ATOM 654 NH1 ARG A 45 -9.708 12.032 13.536 1.00 0.00 N ATOM 655 NH2 ARG A 45 -9.099 9.794 13.448 1.00 0.00 N ATOM 0 H ARG A 45 -4.274 13.250 8.954 1.00 0.00 H new ATOM 0 HA ARG A 45 -6.083 15.139 10.183 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -6.224 12.494 9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -5.236 12.517 11.416 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -7.388 14.450 11.708 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -8.066 12.909 11.219 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.973 12.907 13.398 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -7.582 13.468 13.804 1.00 0.00 H new ATOM 0 HE ARG A 45 -6.799 10.704 13.078 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.454 13.019 13.493 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.679 11.762 13.691 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.381 9.078 13.338 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -10.070 9.523 13.603 1.00 0.00 H new ATOM 669 N VAL A 46 -3.424 14.059 11.844 1.00 0.00 N ATOM 670 CA VAL A 46 -2.463 14.411 12.875 1.00 0.00 C ATOM 671 C VAL A 46 -1.650 15.624 12.416 1.00 0.00 C ATOM 672 O VAL A 46 -1.538 16.611 13.142 1.00 0.00 O ATOM 673 CB VAL A 46 -1.591 13.200 13.212 1.00 0.00 C ATOM 674 CG1 VAL A 46 -0.402 13.607 14.085 1.00 0.00 C ATOM 675 CG2 VAL A 46 -2.415 12.101 13.885 1.00 0.00 C ATOM 0 H VAL A 46 -3.309 13.123 11.455 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.975 14.692 13.795 1.00 0.00 H new ATOM 0 HB VAL A 46 -1.199 12.799 12.277 1.00 0.00 H new ATOM 0 HG11 VAL A 46 0.202 12.728 14.310 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.206 14.339 13.553 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.766 14.045 15.014 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.771 11.252 14.114 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -2.850 12.486 14.808 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.212 11.781 13.214 1.00 0.00 H new ATOM 685 N SER A 47 -1.105 15.510 11.214 1.00 0.00 N ATOM 686 CA SER A 47 -0.306 16.585 10.650 1.00 0.00 C ATOM 687 C SER A 47 0.800 16.985 11.630 1.00 0.00 C ATOM 688 O SER A 47 0.543 17.680 12.611 1.00 0.00 O ATOM 689 CB SER A 47 -1.175 17.796 10.309 1.00 0.00 C ATOM 690 OG SER A 47 -0.407 18.992 10.200 1.00 0.00 O ATOM 0 H SER A 47 -1.201 14.690 10.615 1.00 0.00 H new ATOM 0 HA SER A 47 0.148 16.225 9.727 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.697 17.614 9.370 1.00 0.00 H new ATOM 0 HB3 SER A 47 -1.937 17.923 11.078 1.00 0.00 H new ATOM 0 HG SER A 47 -0.999 19.742 9.980 1.00 0.00 H new ATOM 696 N ASN A 48 2.006 16.527 11.329 1.00 0.00 N ATOM 697 CA ASN A 48 3.152 16.828 12.170 1.00 0.00 C ATOM 698 C ASN A 48 4.395 16.145 11.597 1.00 0.00 C ATOM 699 O ASN A 48 5.069 15.388 12.294 1.00 0.00 O ATOM 700 CB ASN A 48 2.941 16.309 13.594 1.00 0.00 C ATOM 701 CG ASN A 48 3.620 17.222 14.617 1.00 0.00 C ATOM 702 OD1 ASN A 48 4.222 18.230 14.285 1.00 0.00 O ATOM 703 ND2 ASN A 48 3.488 16.815 15.876 1.00 0.00 N ATOM 0 H ASN A 48 2.215 15.950 10.514 1.00 0.00 H new ATOM 0 HA ASN A 48 3.276 17.911 12.195 1.00 0.00 H new ATOM 0 HB2 ASN A 48 1.874 16.247 13.808 1.00 0.00 H new ATOM 0 HB3 ASN A 48 3.342 15.299 13.680 1.00 0.00 H new ATOM 0 HD21 ASN A 48 3.904 17.357 16.633 1.00 0.00 H new ATOM 0 HD22 ASN A 48 2.971 15.961 16.084 1.00 0.00 H new ATOM 710 N ASP A 49 4.660 16.436 10.332 1.00 0.00 N ATOM 711 CA ASP A 49 5.810 15.858 9.656 1.00 0.00 C ATOM 712 C ASP A 49 5.689 16.107 8.151 1.00 0.00 C ATOM 713 O ASP A 49 6.496 16.832 7.572 1.00 0.00 O ATOM 714 CB ASP A 49 5.879 14.347 9.882 1.00 0.00 C ATOM 715 CG ASP A 49 6.750 13.583 8.882 1.00 0.00 C ATOM 716 OD1 ASP A 49 7.981 13.965 8.828 1.00 0.00 O ATOM 717 OD2 ASP A 49 6.277 12.670 8.190 1.00 0.00 O ATOM 0 H ASP A 49 4.099 17.064 9.757 1.00 0.00 H new ATOM 0 HA ASP A 49 6.709 16.324 10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.258 14.162 10.887 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.868 13.942 9.844 1.00 0.00 H new ATOM 780 N VAL A 53 3.450 11.770 -0.524 1.00 0.00 N ATOM 781 CA VAL A 53 4.518 10.905 -0.996 1.00 0.00 C ATOM 782 C VAL A 53 5.364 10.451 0.194 1.00 0.00 C ATOM 783 O VAL A 53 5.463 9.256 0.471 1.00 0.00 O ATOM 784 CB VAL A 53 5.335 11.622 -2.073 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.307 10.658 -2.756 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.420 12.297 -3.097 1.00 0.00 C ATOM 0 HA VAL A 53 4.107 10.010 -1.462 1.00 0.00 H new ATOM 0 HB VAL A 53 5.923 12.400 -1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.875 11.193 -3.517 1.00 0.00 H new ATOM 0 HG12 VAL A 53 6.992 10.246 -2.015 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.748 9.848 -3.224 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.026 12.799 -3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.794 11.545 -3.577 1.00 0.00 H new ATOM 0 HG23 VAL A 53 3.788 13.028 -2.594 1.00 0.00 H new ATOM 796 N LYS A 54 5.954 11.428 0.867 1.00 0.00 N ATOM 797 CA LYS A 54 6.789 11.144 2.022 1.00 0.00 C ATOM 798 C LYS A 54 6.142 10.035 2.854 1.00 0.00 C ATOM 799 O LYS A 54 6.746 8.987 3.074 1.00 0.00 O ATOM 800 CB LYS A 54 7.065 12.425 2.812 1.00 0.00 C ATOM 801 CG LYS A 54 8.498 12.911 2.586 1.00 0.00 C ATOM 802 CD LYS A 54 9.054 13.582 3.844 1.00 0.00 C ATOM 803 CE LYS A 54 10.110 14.630 3.485 1.00 0.00 C ATOM 804 NZ LYS A 54 11.397 13.977 3.159 1.00 0.00 N ATOM 0 H LYS A 54 5.870 12.418 0.634 1.00 0.00 H new ATOM 0 HA LYS A 54 7.765 10.776 1.705 1.00 0.00 H new ATOM 0 HB2 LYS A 54 6.362 13.201 2.510 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.902 12.243 3.874 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.132 12.069 2.308 1.00 0.00 H new ATOM 0 HG3 LYS A 54 8.520 13.615 1.754 1.00 0.00 H new ATOM 0 HD2 LYS A 54 8.242 14.053 4.398 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.492 12.829 4.499 1.00 0.00 H new ATOM 0 HE2 LYS A 54 9.770 15.221 2.635 1.00 0.00 H new ATOM 0 HE3 LYS A 54 10.246 15.319 4.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 12.103 14.702 2.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.728 13.432 3.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 11.267 13.338 2.349 1.00 0.00 H new ATOM 818 N VAL A 55 4.921 10.304 3.292 1.00 0.00 N ATOM 819 CA VAL A 55 4.185 9.342 4.095 1.00 0.00 C ATOM 820 C VAL A 55 4.399 7.939 3.524 1.00 0.00 C ATOM 821 O VAL A 55 4.893 7.052 4.217 1.00 0.00 O ATOM 822 CB VAL A 55 2.710 9.741 4.167 1.00 0.00 C ATOM 823 CG1 VAL A 55 2.513 10.952 5.082 1.00 0.00 C ATOM 824 CG2 VAL A 55 2.146 10.011 2.771 1.00 0.00 C ATOM 0 H VAL A 55 4.423 11.174 3.106 1.00 0.00 H new ATOM 0 HA VAL A 55 4.556 9.335 5.120 1.00 0.00 H new ATOM 0 HB VAL A 55 2.158 8.905 4.595 1.00 0.00 H new ATOM 0 HG11 VAL A 55 1.456 11.215 5.115 1.00 0.00 H new ATOM 0 HG12 VAL A 55 2.858 10.709 6.087 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.085 11.796 4.696 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.096 10.293 2.851 1.00 0.00 H new ATOM 0 HG22 VAL A 55 2.705 10.822 2.303 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.235 9.111 2.162 1.00 0.00 H new ATOM 834 N SER A 56 4.015 7.782 2.266 1.00 0.00 N ATOM 835 CA SER A 56 4.158 6.502 1.594 1.00 0.00 C ATOM 836 C SER A 56 5.563 5.944 1.825 1.00 0.00 C ATOM 837 O SER A 56 5.723 4.765 2.138 1.00 0.00 O ATOM 838 CB SER A 56 3.878 6.632 0.095 1.00 0.00 C ATOM 839 OG SER A 56 3.038 5.586 -0.384 1.00 0.00 O ATOM 0 H SER A 56 3.605 8.520 1.694 1.00 0.00 H new ATOM 0 HA SER A 56 3.426 5.812 2.014 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.407 7.595 -0.104 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.821 6.619 -0.452 1.00 0.00 H new ATOM 0 HG SER A 56 2.882 5.706 -1.344 1.00 0.00 H new ATOM 845 N LEU A 57 6.546 6.816 1.663 1.00 0.00 N ATOM 846 CA LEU A 57 7.933 6.425 1.850 1.00 0.00 C ATOM 847 C LEU A 57 8.095 5.783 3.229 1.00 0.00 C ATOM 848 O LEU A 57 8.769 4.763 3.368 1.00 0.00 O ATOM 849 CB LEU A 57 8.863 7.617 1.613 1.00 0.00 C ATOM 850 CG LEU A 57 9.786 7.517 0.397 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.491 8.630 -0.609 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.255 7.504 0.824 1.00 0.00 C ATOM 0 H LEU A 57 6.410 7.793 1.404 1.00 0.00 H new ATOM 0 HA LEU A 57 8.220 5.675 1.113 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.252 8.514 1.508 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.479 7.754 2.502 1.00 0.00 H new ATOM 0 HG LEU A 57 9.588 6.570 -0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.161 8.535 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 57 8.458 8.550 -0.948 1.00 0.00 H new ATOM 0 HD13 LEU A 57 9.643 9.599 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.890 7.432 -0.059 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.485 8.423 1.363 1.00 0.00 H new ATOM 0 HD23 LEU A 57 11.438 6.647 1.473 1.00 0.00 H new ATOM 864 N PHE A 58 7.467 6.407 4.215 1.00 0.00 N ATOM 865 CA PHE A 58 7.533 5.909 5.578 1.00 0.00 C ATOM 866 C PHE A 58 6.714 4.627 5.734 1.00 0.00 C ATOM 867 O PHE A 58 6.979 3.820 6.624 1.00 0.00 O ATOM 868 CB PHE A 58 6.939 6.993 6.480 1.00 0.00 C ATOM 869 CG PHE A 58 7.974 7.965 7.050 1.00 0.00 C ATOM 870 CD1 PHE A 58 8.761 7.586 8.093 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.107 9.208 6.514 1.00 0.00 C ATOM 872 CE1 PHE A 58 9.721 8.488 8.622 1.00 0.00 C ATOM 873 CE2 PHE A 58 9.068 10.110 7.043 1.00 0.00 C ATOM 874 CZ PHE A 58 9.855 9.731 8.086 1.00 0.00 C ATOM 0 H PHE A 58 6.910 7.253 4.097 1.00 0.00 H new ATOM 0 HA PHE A 58 8.566 5.682 5.841 1.00 0.00 H new ATOM 0 HB2 PHE A 58 6.199 7.558 5.913 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.411 6.515 7.305 1.00 0.00 H new ATOM 0 HD1 PHE A 58 8.655 6.599 8.518 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.482 9.509 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 58 10.345 8.187 9.450 1.00 0.00 H new ATOM 0 HE2 PHE A 58 9.174 11.097 6.617 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.586 10.417 8.488 1.00 0.00 H new ATOM 884 N THR A 59 5.734 4.478 4.855 1.00 0.00 N ATOM 885 CA THR A 59 4.873 3.307 4.884 1.00 0.00 C ATOM 886 C THR A 59 5.630 2.077 4.379 1.00 0.00 C ATOM 887 O THR A 59 5.627 1.033 5.029 1.00 0.00 O ATOM 888 CB THR A 59 3.617 3.624 4.070 1.00 0.00 C ATOM 889 OG1 THR A 59 2.839 4.443 4.938 1.00 0.00 O ATOM 890 CG2 THR A 59 2.742 2.390 3.839 1.00 0.00 C ATOM 0 H THR A 59 5.517 5.149 4.118 1.00 0.00 H new ATOM 0 HA THR A 59 4.566 3.066 5.902 1.00 0.00 H new ATOM 0 HB THR A 59 3.905 4.050 3.109 1.00 0.00 H new ATOM 0 HG1 THR A 59 2.824 5.361 4.596 1.00 0.00 H new ATOM 0 HG21 THR A 59 1.864 2.670 3.257 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.312 1.636 3.296 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.425 1.983 4.800 1.00 0.00 H new ATOM 898 N ALA A 60 6.259 2.241 3.225 1.00 0.00 N ATOM 899 CA ALA A 60 7.019 1.157 2.626 1.00 0.00 C ATOM 900 C ALA A 60 8.225 0.835 3.510 1.00 0.00 C ATOM 901 O ALA A 60 8.577 -0.330 3.686 1.00 0.00 O ATOM 902 CB ALA A 60 7.426 1.544 1.202 1.00 0.00 C ATOM 0 H ALA A 60 6.258 3.108 2.688 1.00 0.00 H new ATOM 0 HA ALA A 60 6.411 0.255 2.557 1.00 0.00 H new ATOM 0 HB1 ALA A 60 7.996 0.731 0.753 1.00 0.00 H new ATOM 0 HB2 ALA A 60 6.533 1.733 0.607 1.00 0.00 H new ATOM 0 HB3 ALA A 60 8.040 2.444 1.231 1.00 0.00 H new ATOM 908 N PHE A 61 8.825 1.889 4.043 1.00 0.00 N ATOM 909 CA PHE A 61 9.985 1.733 4.905 1.00 0.00 C ATOM 910 C PHE A 61 9.646 0.883 6.131 1.00 0.00 C ATOM 911 O PHE A 61 10.283 -0.140 6.377 1.00 0.00 O ATOM 912 CB PHE A 61 10.390 3.134 5.367 1.00 0.00 C ATOM 913 CG PHE A 61 11.766 3.196 6.033 1.00 0.00 C ATOM 914 CD1 PHE A 61 12.869 2.781 5.354 1.00 0.00 C ATOM 915 CD2 PHE A 61 11.886 3.666 7.304 1.00 0.00 C ATOM 916 CE1 PHE A 61 14.147 2.838 5.972 1.00 0.00 C ATOM 917 CE2 PHE A 61 13.163 3.723 7.922 1.00 0.00 C ATOM 918 CZ PHE A 61 14.267 3.308 7.243 1.00 0.00 C ATOM 0 H PHE A 61 8.530 2.854 3.895 1.00 0.00 H new ATOM 0 HA PHE A 61 10.788 1.235 4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.383 3.805 4.508 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.642 3.505 6.067 1.00 0.00 H new ATOM 0 HD1 PHE A 61 12.773 2.408 4.345 1.00 0.00 H new ATOM 0 HD2 PHE A 61 11.010 3.996 7.843 1.00 0.00 H new ATOM 0 HE1 PHE A 61 15.023 2.508 5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 61 13.258 4.096 8.931 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.238 3.352 7.713 1.00 0.00 H new ATOM 928 N PHE A 62 8.644 1.338 6.869 1.00 0.00 N ATOM 929 CA PHE A 62 8.213 0.632 8.063 1.00 0.00 C ATOM 930 C PHE A 62 7.758 -0.789 7.726 1.00 0.00 C ATOM 931 O PHE A 62 8.072 -1.733 8.449 1.00 0.00 O ATOM 932 CB PHE A 62 7.029 1.411 8.641 1.00 0.00 C ATOM 933 CG PHE A 62 7.388 2.288 9.842 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.784 1.714 11.009 1.00 0.00 C ATOM 935 CD2 PHE A 62 7.310 3.642 9.742 1.00 0.00 C ATOM 936 CE1 PHE A 62 8.117 2.528 12.124 1.00 0.00 C ATOM 937 CE2 PHE A 62 7.642 4.457 10.857 1.00 0.00 C ATOM 938 CZ PHE A 62 8.039 3.883 12.024 1.00 0.00 C ATOM 0 H PHE A 62 8.118 2.187 6.663 1.00 0.00 H new ATOM 0 HA PHE A 62 9.038 0.562 8.772 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.605 2.040 7.859 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.253 0.705 8.938 1.00 0.00 H new ATOM 0 HD1 PHE A 62 7.845 0.639 11.088 1.00 0.00 H new ATOM 0 HD2 PHE A 62 6.996 4.098 8.815 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.432 2.072 13.051 1.00 0.00 H new ATOM 0 HE2 PHE A 62 7.579 5.532 10.778 1.00 0.00 H new ATOM 0 HZ PHE A 62 8.292 4.502 12.872 1.00 0.00 H new ATOM 948 N LEU A 63 7.024 -0.896 6.628 1.00 0.00 N ATOM 949 CA LEU A 63 6.523 -2.186 6.186 1.00 0.00 C ATOM 950 C LEU A 63 7.699 -3.144 5.983 1.00 0.00 C ATOM 951 O LEU A 63 7.938 -4.022 6.811 1.00 0.00 O ATOM 952 CB LEU A 63 5.642 -2.022 4.946 1.00 0.00 C ATOM 953 CG LEU A 63 4.131 -2.056 5.186 1.00 0.00 C ATOM 954 CD1 LEU A 63 3.679 -3.447 5.635 1.00 0.00 C ATOM 955 CD2 LEU A 63 3.709 -0.969 6.176 1.00 0.00 C ATOM 0 H LEU A 63 6.764 -0.110 6.032 1.00 0.00 H new ATOM 0 HA LEU A 63 5.881 -2.627 6.949 1.00 0.00 H new ATOM 0 HB2 LEU A 63 5.893 -1.074 4.470 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.895 -2.811 4.238 1.00 0.00 H new ATOM 0 HG LEU A 63 3.630 -1.844 4.242 1.00 0.00 H new ATOM 0 HD11 LEU A 63 2.601 -3.444 5.799 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.927 -4.177 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.186 -3.713 6.562 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.631 -1.015 6.329 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.217 -1.126 7.127 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.978 0.010 5.778 1.00 0.00 H new ATOM 967 N ALA A 64 8.401 -2.942 4.878 1.00 0.00 N ATOM 968 CA ALA A 64 9.546 -3.776 4.556 1.00 0.00 C ATOM 969 C ALA A 64 10.411 -3.953 5.806 1.00 0.00 C ATOM 970 O ALA A 64 10.877 -5.054 6.093 1.00 0.00 O ATOM 971 CB ALA A 64 10.322 -3.153 3.394 1.00 0.00 C ATOM 0 H ALA A 64 8.199 -2.213 4.194 1.00 0.00 H new ATOM 0 HA ALA A 64 9.221 -4.766 4.237 1.00 0.00 H new ATOM 0 HB1 ALA A 64 11.181 -3.779 3.153 1.00 0.00 H new ATOM 0 HB2 ALA A 64 9.672 -3.077 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 64 10.666 -2.159 3.678 1.00 0.00 H new ATOM 977 N THR A 65 10.598 -2.850 6.517 1.00 0.00 N ATOM 978 CA THR A 65 11.399 -2.869 7.730 1.00 0.00 C ATOM 979 C THR A 65 10.978 -4.034 8.628 1.00 0.00 C ATOM 980 O THR A 65 11.822 -4.797 9.097 1.00 0.00 O ATOM 981 CB THR A 65 11.266 -1.503 8.405 1.00 0.00 C ATOM 982 OG1 THR A 65 12.217 -0.686 7.726 1.00 0.00 O ATOM 983 CG2 THR A 65 11.754 -1.516 9.855 1.00 0.00 C ATOM 0 H THR A 65 10.209 -1.938 6.277 1.00 0.00 H new ATOM 0 HA THR A 65 12.453 -3.036 7.506 1.00 0.00 H new ATOM 0 HB THR A 65 10.224 -1.184 8.376 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.906 -0.512 6.813 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.638 -0.522 10.287 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.167 -2.233 10.430 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.805 -1.803 9.883 1.00 0.00 H new ATOM 991 N ILE A 66 9.675 -4.134 8.841 1.00 0.00 N ATOM 992 CA ILE A 66 9.132 -5.193 9.675 1.00 0.00 C ATOM 993 C ILE A 66 9.264 -6.531 8.944 1.00 0.00 C ATOM 994 O ILE A 66 9.378 -7.580 9.577 1.00 0.00 O ATOM 995 CB ILE A 66 7.699 -4.862 10.097 1.00 0.00 C ATOM 996 CG1 ILE A 66 6.734 -5.005 8.919 1.00 0.00 C ATOM 997 CG2 ILE A 66 7.622 -3.474 10.736 1.00 0.00 C ATOM 998 CD1 ILE A 66 5.421 -5.656 9.361 1.00 0.00 C ATOM 0 H ILE A 66 8.979 -3.499 8.451 1.00 0.00 H new ATOM 0 HA ILE A 66 9.701 -5.277 10.601 1.00 0.00 H new ATOM 0 HB ILE A 66 7.391 -5.582 10.855 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.531 -4.024 8.489 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.197 -5.606 8.136 1.00 0.00 H new ATOM 0 HG21 ILE A 66 6.593 -3.264 11.027 1.00 0.00 H new ATOM 0 HG22 ILE A 66 8.262 -3.444 11.618 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.957 -2.724 10.019 1.00 0.00 H new ATOM 0 HD11 ILE A 66 4.753 -5.746 8.504 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.625 -6.647 9.768 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.949 -5.040 10.126 1.00 0.00 H new ATOM 1010 N MET A 67 9.245 -6.451 7.622 1.00 0.00 N ATOM 1011 CA MET A 67 9.361 -7.642 6.798 1.00 0.00 C ATOM 1012 C MET A 67 10.777 -8.218 6.864 1.00 0.00 C ATOM 1013 O MET A 67 10.961 -9.385 7.204 1.00 0.00 O ATOM 1014 CB MET A 67 9.018 -7.295 5.348 1.00 0.00 C ATOM 1015 CG MET A 67 8.131 -8.373 4.722 1.00 0.00 C ATOM 1016 SD MET A 67 8.853 -8.947 3.194 1.00 0.00 S ATOM 1017 CE MET A 67 8.057 -7.842 2.040 1.00 0.00 C ATOM 0 H MET A 67 9.151 -5.579 7.101 1.00 0.00 H new ATOM 0 HA MET A 67 8.666 -8.392 7.176 1.00 0.00 H new ATOM 0 HB2 MET A 67 8.508 -6.333 5.311 1.00 0.00 H new ATOM 0 HB3 MET A 67 9.935 -7.192 4.768 1.00 0.00 H new ATOM 0 HG2 MET A 67 8.014 -9.207 5.414 1.00 0.00 H new ATOM 0 HG3 MET A 67 7.135 -7.972 4.535 1.00 0.00 H new ATOM 0 HE1 MET A 67 8.398 -8.065 1.029 1.00 0.00 H new ATOM 0 HE2 MET A 67 6.976 -7.974 2.096 1.00 0.00 H new ATOM 0 HE3 MET A 67 8.310 -6.812 2.289 1.00 0.00 H new ATOM 1027 N GLY A 68 11.742 -7.372 6.532 1.00 0.00 N ATOM 1028 CA GLY A 68 13.136 -7.782 6.549 1.00 0.00 C ATOM 1029 C GLY A 68 13.977 -6.904 5.622 1.00 0.00 C ATOM 1030 O GLY A 68 14.395 -5.812 6.004 1.00 0.00 O ATOM 0 H GLY A 68 11.586 -6.404 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 68 13.525 -7.720 7.566 1.00 0.00 H new ATOM 0 HA3 GLY A 68 13.216 -8.824 6.240 1.00 0.00 H new ATOM 1231 N PRO A 79 6.328 -12.063 -3.437 1.00 0.00 N ATOM 1232 CA PRO A 79 5.483 -10.990 -2.940 1.00 0.00 C ATOM 1233 C PRO A 79 5.781 -9.677 -3.667 1.00 0.00 C ATOM 1234 O PRO A 79 6.074 -8.664 -3.033 1.00 0.00 O ATOM 1235 CB PRO A 79 5.771 -10.922 -1.449 1.00 0.00 C ATOM 1236 CG PRO A 79 7.097 -11.638 -1.247 1.00 0.00 C ATOM 1237 CD PRO A 79 7.405 -12.414 -2.517 1.00 0.00 C ATOM 0 HA PRO A 79 4.423 -11.171 -3.120 1.00 0.00 H new ATOM 0 HB2 PRO A 79 5.830 -9.888 -1.109 1.00 0.00 H new ATOM 0 HB3 PRO A 79 4.977 -11.401 -0.876 1.00 0.00 H new ATOM 0 HG2 PRO A 79 7.890 -10.921 -1.036 1.00 0.00 H new ATOM 0 HG3 PRO A 79 7.041 -12.312 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 79 8.378 -12.138 -2.923 1.00 0.00 H new ATOM 0 HD3 PRO A 79 7.431 -13.487 -2.329 1.00 0.00 H new ATOM 1245 N ALA A 80 5.696 -9.736 -4.988 1.00 0.00 N ATOM 1246 CA ALA A 80 5.952 -8.564 -5.808 1.00 0.00 C ATOM 1247 C ALA A 80 4.814 -7.559 -5.623 1.00 0.00 C ATOM 1248 O ALA A 80 5.050 -6.354 -5.556 1.00 0.00 O ATOM 1249 CB ALA A 80 6.122 -8.990 -7.268 1.00 0.00 C ATOM 0 H ALA A 80 5.453 -10.577 -5.511 1.00 0.00 H new ATOM 0 HA ALA A 80 6.877 -8.075 -5.501 1.00 0.00 H new ATOM 0 HB1 ALA A 80 6.314 -8.111 -7.883 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.961 -9.681 -7.350 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.212 -9.482 -7.612 1.00 0.00 H new ATOM 1255 N GLY A 81 3.603 -8.092 -5.545 1.00 0.00 N ATOM 1256 CA GLY A 81 2.428 -7.256 -5.369 1.00 0.00 C ATOM 1257 C GLY A 81 2.741 -6.049 -4.482 1.00 0.00 C ATOM 1258 O GLY A 81 2.346 -4.926 -4.793 1.00 0.00 O ATOM 0 H GLY A 81 3.411 -9.092 -5.600 1.00 0.00 H new ATOM 0 HA2 GLY A 81 2.071 -6.915 -6.341 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.624 -7.841 -4.922 1.00 0.00 H new ATOM 1262 N LEU A 82 3.448 -6.321 -3.395 1.00 0.00 N ATOM 1263 CA LEU A 82 3.819 -5.271 -2.462 1.00 0.00 C ATOM 1264 C LEU A 82 4.354 -4.067 -3.240 1.00 0.00 C ATOM 1265 O LEU A 82 3.793 -2.975 -3.163 1.00 0.00 O ATOM 1266 CB LEU A 82 4.795 -5.808 -1.412 1.00 0.00 C ATOM 1267 CG LEU A 82 4.491 -5.434 0.040 1.00 0.00 C ATOM 1268 CD1 LEU A 82 4.408 -3.916 0.210 1.00 0.00 C ATOM 1269 CD2 LEU A 82 3.223 -6.136 0.532 1.00 0.00 C ATOM 0 H LEU A 82 3.774 -7.253 -3.140 1.00 0.00 H new ATOM 0 HA LEU A 82 2.945 -4.929 -1.907 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.819 -6.895 -1.489 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.795 -5.449 -1.657 1.00 0.00 H new ATOM 0 HG LEU A 82 5.315 -5.782 0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 82 4.191 -3.678 1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 82 5.359 -3.465 -0.075 1.00 0.00 H new ATOM 0 HD13 LEU A 82 3.615 -3.522 -0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.029 -5.853 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.378 -5.839 -0.090 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.358 -7.216 0.470 1.00 0.00 H new ATOM 1281 N VAL A 83 5.432 -4.308 -3.972 1.00 0.00 N ATOM 1282 CA VAL A 83 6.048 -3.257 -4.764 1.00 0.00 C ATOM 1283 C VAL A 83 5.035 -2.732 -5.783 1.00 0.00 C ATOM 1284 O VAL A 83 5.087 -1.566 -6.171 1.00 0.00 O ATOM 1285 CB VAL A 83 7.334 -3.775 -5.411 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.333 -4.241 -4.349 1.00 0.00 C ATOM 1287 CG2 VAL A 83 7.033 -4.894 -6.409 1.00 0.00 C ATOM 0 H VAL A 83 5.894 -5.215 -4.033 1.00 0.00 H new ATOM 0 HA VAL A 83 6.335 -2.418 -4.129 1.00 0.00 H new ATOM 0 HB VAL A 83 7.789 -2.950 -5.960 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.238 -4.604 -4.836 1.00 0.00 H new ATOM 0 HG12 VAL A 83 8.583 -3.407 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.890 -5.044 -3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 83 7.964 -5.244 -6.855 1.00 0.00 H new ATOM 0 HG22 VAL A 83 6.544 -5.720 -5.893 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.376 -4.516 -7.192 1.00 0.00 H new ATOM 1297 N ALA A 84 4.138 -3.618 -6.188 1.00 0.00 N ATOM 1298 CA ALA A 84 3.115 -3.259 -7.156 1.00 0.00 C ATOM 1299 C ALA A 84 2.187 -2.208 -6.544 1.00 0.00 C ATOM 1300 O ALA A 84 1.672 -1.342 -7.250 1.00 0.00 O ATOM 1301 CB ALA A 84 2.362 -4.517 -7.594 1.00 0.00 C ATOM 0 H ALA A 84 4.098 -4.584 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 84 3.566 -2.822 -8.047 1.00 0.00 H new ATOM 0 HB1 ALA A 84 1.595 -4.248 -8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.061 -5.220 -8.048 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.893 -4.981 -6.726 1.00 0.00 H new ATOM 1307 N GLY A 85 2.003 -2.317 -5.236 1.00 0.00 N ATOM 1308 CA GLY A 85 1.146 -1.386 -4.521 1.00 0.00 C ATOM 1309 C GLY A 85 1.851 -0.045 -4.309 1.00 0.00 C ATOM 1310 O GLY A 85 1.307 1.006 -4.646 1.00 0.00 O ATOM 0 H GLY A 85 2.433 -3.035 -4.653 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.224 -1.232 -5.081 1.00 0.00 H new ATOM 0 HA3 GLY A 85 0.866 -1.810 -3.557 1.00 0.00 H new ATOM 1314 N LEU A 86 3.050 -0.124 -3.751 1.00 0.00 N ATOM 1315 CA LEU A 86 3.834 1.071 -3.491 1.00 0.00 C ATOM 1316 C LEU A 86 3.880 1.932 -4.755 1.00 0.00 C ATOM 1317 O LEU A 86 3.663 3.141 -4.694 1.00 0.00 O ATOM 1318 CB LEU A 86 5.216 0.698 -2.951 1.00 0.00 C ATOM 1319 CG LEU A 86 6.213 1.849 -2.804 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.718 2.876 -1.784 1.00 0.00 C ATOM 1321 CD2 LEU A 86 7.609 1.326 -2.460 1.00 0.00 C ATOM 0 H LEU A 86 3.498 -0.997 -3.472 1.00 0.00 H new ATOM 0 HA LEU A 86 3.364 1.672 -2.713 1.00 0.00 H new ATOM 0 HB2 LEU A 86 5.088 0.228 -1.976 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.652 -0.052 -3.612 1.00 0.00 H new ATOM 0 HG LEU A 86 6.289 2.359 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.445 3.684 -1.699 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.761 3.282 -2.112 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.595 2.395 -0.814 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.298 2.165 -2.361 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.570 0.776 -1.520 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.955 0.664 -3.254 1.00 0.00 H new ATOM 1333 N SER A 87 4.163 1.275 -5.870 1.00 0.00 N ATOM 1334 CA SER A 87 4.239 1.965 -7.146 1.00 0.00 C ATOM 1335 C SER A 87 2.865 2.524 -7.522 1.00 0.00 C ATOM 1336 O SER A 87 2.710 3.731 -7.702 1.00 0.00 O ATOM 1337 CB SER A 87 4.753 1.034 -8.246 1.00 0.00 C ATOM 1338 OG SER A 87 5.321 1.756 -9.335 1.00 0.00 O ATOM 0 H SER A 87 4.342 0.272 -5.916 1.00 0.00 H new ATOM 0 HA SER A 87 4.945 2.790 -7.047 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.501 0.359 -7.829 1.00 0.00 H new ATOM 0 HB3 SER A 87 3.933 0.415 -8.610 1.00 0.00 H new ATOM 0 HG SER A 87 5.639 1.126 -10.015 1.00 0.00 H new ATOM 1344 N LEU A 88 1.904 1.619 -7.630 1.00 0.00 N ATOM 1345 CA LEU A 88 0.548 2.007 -7.982 1.00 0.00 C ATOM 1346 C LEU A 88 0.180 3.291 -7.236 1.00 0.00 C ATOM 1347 O LEU A 88 -0.413 4.200 -7.814 1.00 0.00 O ATOM 1348 CB LEU A 88 -0.422 0.850 -7.731 1.00 0.00 C ATOM 1349 CG LEU A 88 -1.777 0.946 -8.436 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -1.628 0.721 -9.942 1.00 0.00 C ATOM 1351 CD2 LEU A 88 -2.790 -0.014 -7.809 1.00 0.00 C ATOM 0 H LEU A 88 2.037 0.619 -7.480 1.00 0.00 H new ATOM 0 HA LEU A 88 0.478 2.226 -9.048 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.061 -0.077 -8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.598 0.775 -6.658 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.164 1.956 -8.299 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.605 0.794 -10.419 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -0.963 1.477 -10.359 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -1.210 -0.269 -10.122 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -3.744 0.074 -8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -2.423 -1.037 -7.895 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -2.925 0.236 -6.757 1.00 0.00 H new ATOM 1363 N MET A 89 0.546 3.324 -5.963 1.00 0.00 N ATOM 1364 CA MET A 89 0.261 4.481 -5.132 1.00 0.00 C ATOM 1365 C MET A 89 0.986 5.723 -5.655 1.00 0.00 C ATOM 1366 O MET A 89 0.356 6.741 -5.939 1.00 0.00 O ATOM 1367 CB MET A 89 0.703 4.199 -3.695 1.00 0.00 C ATOM 1368 CG MET A 89 -0.394 3.471 -2.917 1.00 0.00 C ATOM 1369 SD MET A 89 0.242 2.907 -1.347 1.00 0.00 S ATOM 1370 CE MET A 89 -0.217 1.184 -1.428 1.00 0.00 C ATOM 0 H MET A 89 1.038 2.568 -5.487 1.00 0.00 H new ATOM 0 HA MET A 89 -0.812 4.670 -5.161 1.00 0.00 H new ATOM 0 HB2 MET A 89 1.611 3.595 -3.702 1.00 0.00 H new ATOM 0 HB3 MET A 89 0.947 5.136 -3.195 1.00 0.00 H new ATOM 0 HG2 MET A 89 -1.241 4.138 -2.757 1.00 0.00 H new ATOM 0 HG3 MET A 89 -0.760 2.623 -3.496 1.00 0.00 H new ATOM 0 HE1 MET A 89 -0.433 0.818 -0.424 1.00 0.00 H new ATOM 0 HE2 MET A 89 -1.102 1.072 -2.054 1.00 0.00 H new ATOM 0 HE3 MET A 89 0.604 0.608 -1.855 1.00 0.00 H new ATOM 1380 N MET A 90 2.301 5.599 -5.766 1.00 0.00 N ATOM 1381 CA MET A 90 3.118 6.699 -6.250 1.00 0.00 C ATOM 1382 C MET A 90 2.561 7.261 -7.559 1.00 0.00 C ATOM 1383 O MET A 90 2.326 8.464 -7.672 1.00 0.00 O ATOM 1384 CB MET A 90 4.551 6.210 -6.473 1.00 0.00 C ATOM 1385 CG MET A 90 5.515 7.389 -6.623 1.00 0.00 C ATOM 1386 SD MET A 90 6.440 7.232 -8.141 1.00 0.00 S ATOM 1387 CE MET A 90 7.918 6.443 -7.523 1.00 0.00 C ATOM 0 H MET A 90 2.821 4.754 -5.529 1.00 0.00 H new ATOM 0 HA MET A 90 3.107 7.492 -5.502 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.861 5.586 -5.634 1.00 0.00 H new ATOM 0 HB3 MET A 90 4.592 5.586 -7.366 1.00 0.00 H new ATOM 0 HG2 MET A 90 4.959 8.326 -6.622 1.00 0.00 H new ATOM 0 HG3 MET A 90 6.197 7.422 -5.774 1.00 0.00 H new ATOM 0 HE1 MET A 90 8.610 6.270 -8.347 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.391 7.086 -6.781 1.00 0.00 H new ATOM 0 HE3 MET A 90 7.657 5.490 -7.063 1.00 0.00 H new ATOM 1397 N ILE A 91 2.365 6.366 -8.516 1.00 0.00 N ATOM 1398 CA ILE A 91 1.840 6.758 -9.812 1.00 0.00 C ATOM 1399 C ILE A 91 0.567 7.583 -9.614 1.00 0.00 C ATOM 1400 O ILE A 91 0.464 8.703 -10.113 1.00 0.00 O ATOM 1401 CB ILE A 91 1.644 5.530 -10.705 1.00 0.00 C ATOM 1402 CG1 ILE A 91 2.971 4.806 -10.939 1.00 0.00 C ATOM 1403 CG2 ILE A 91 0.958 5.911 -12.018 1.00 0.00 C ATOM 1404 CD1 ILE A 91 3.709 5.391 -12.145 1.00 0.00 C ATOM 0 H ILE A 91 2.561 5.370 -8.419 1.00 0.00 H new ATOM 0 HA ILE A 91 2.554 7.394 -10.335 1.00 0.00 H new ATOM 0 HB ILE A 91 0.984 4.833 -10.189 1.00 0.00 H new ATOM 0 HG12 ILE A 91 3.596 4.889 -10.050 1.00 0.00 H new ATOM 0 HG13 ILE A 91 2.786 3.744 -11.101 1.00 0.00 H new ATOM 0 HG21 ILE A 91 0.831 5.021 -12.634 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -0.018 6.348 -11.805 1.00 0.00 H new ATOM 0 HG23 ILE A 91 1.572 6.637 -12.552 1.00 0.00 H new ATOM 0 HD11 ILE A 91 4.649 4.859 -12.290 1.00 0.00 H new ATOM 0 HD12 ILE A 91 3.091 5.285 -13.036 1.00 0.00 H new ATOM 0 HD13 ILE A 91 3.913 6.447 -11.969 1.00 0.00 H new ATOM 1416 N LEU A 92 -0.372 6.998 -8.884 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.633 7.665 -8.613 1.00 0.00 C ATOM 1418 C LEU A 92 -1.358 9.036 -7.991 1.00 0.00 C ATOM 1419 O LEU A 92 -2.137 9.970 -8.169 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.539 6.774 -7.760 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.753 6.174 -8.472 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -4.270 4.941 -7.729 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -4.847 7.225 -8.670 1.00 0.00 C ATOM 0 H LEU A 92 -0.284 6.069 -8.472 1.00 0.00 H new ATOM 0 HA LEU A 92 -2.178 7.839 -9.541 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.938 5.958 -7.358 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.893 7.358 -6.910 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.440 5.845 -9.463 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.133 4.534 -8.256 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -3.484 4.187 -7.684 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.562 5.222 -6.717 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -5.699 6.773 -9.178 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -5.165 7.607 -7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -4.458 8.045 -9.273 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.246 9.112 -7.275 1.00 0.00 N ATOM 1436 CA ARG A 93 0.143 10.353 -6.626 1.00 0.00 C ATOM 1437 C ARG A 93 0.629 11.366 -7.665 1.00 0.00 C ATOM 1438 O ARG A 93 0.411 12.567 -7.515 1.00 0.00 O ATOM 1439 CB ARG A 93 1.251 10.114 -5.599 1.00 0.00 C ATOM 1440 CG ARG A 93 0.751 10.386 -4.179 1.00 0.00 C ATOM 1441 CD ARG A 93 0.613 9.083 -3.388 1.00 0.00 C ATOM 1442 NE ARG A 93 -0.793 8.624 -3.409 1.00 0.00 N ATOM 1443 CZ ARG A 93 -1.761 9.132 -2.634 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.481 10.118 -1.771 1.00 0.00 N ATOM 1445 NH2 ARG A 93 -3.010 8.653 -2.721 1.00 0.00 N ATOM 0 H ARG A 93 0.398 8.335 -7.130 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.734 10.747 -6.112 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.605 9.086 -5.673 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.101 10.760 -5.819 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.443 11.055 -3.668 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -0.212 10.895 -4.220 1.00 0.00 H new ATOM 0 HD2 ARG A 93 1.260 8.318 -3.816 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.939 9.236 -2.359 1.00 0.00 H new ATOM 0 HE ARG A 93 -1.041 7.874 -4.054 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -0.531 10.482 -1.704 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -2.218 10.504 -1.181 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.224 7.902 -3.377 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -3.747 9.040 -2.131 1.00 0.00 H new ATOM 1459 N LEU A 94 1.278 10.844 -8.695 1.00 0.00 N ATOM 1460 CA LEU A 94 1.797 11.687 -9.758 1.00 0.00 C ATOM 1461 C LEU A 94 0.679 12.596 -10.273 1.00 0.00 C ATOM 1462 O LEU A 94 0.912 13.769 -10.563 1.00 0.00 O ATOM 1463 CB LEU A 94 2.448 10.835 -10.849 1.00 0.00 C ATOM 1464 CG LEU A 94 3.917 11.139 -11.150 1.00 0.00 C ATOM 1465 CD1 LEU A 94 4.802 9.929 -10.844 1.00 0.00 C ATOM 1466 CD2 LEU A 94 4.091 11.627 -12.590 1.00 0.00 C ATOM 0 H LEU A 94 1.456 9.847 -8.816 1.00 0.00 H new ATOM 0 HA LEU A 94 2.587 12.335 -9.379 1.00 0.00 H new ATOM 0 HB2 LEU A 94 2.366 9.787 -10.561 1.00 0.00 H new ATOM 0 HB3 LEU A 94 1.876 10.959 -11.769 1.00 0.00 H new ATOM 0 HG LEU A 94 4.240 11.947 -10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.841 10.172 -11.067 1.00 0.00 H new ATOM 0 HD12 LEU A 94 4.709 9.667 -9.790 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.488 9.084 -11.457 1.00 0.00 H new ATOM 0 HD21 LEU A 94 5.144 11.836 -12.779 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.745 10.857 -13.279 1.00 0.00 H new ATOM 0 HD23 LEU A 94 3.508 12.536 -12.739 1.00 0.00 H new ATOM 1478 N VAL A 95 -0.510 12.021 -10.371 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.664 12.765 -10.845 1.00 0.00 C ATOM 1480 C VAL A 95 -2.243 13.590 -9.694 1.00 0.00 C ATOM 1481 O VAL A 95 -2.441 14.796 -9.828 1.00 0.00 O ATOM 1482 CB VAL A 95 -2.684 11.808 -11.467 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -4.026 12.507 -11.691 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -2.152 11.212 -12.772 1.00 0.00 C ATOM 0 H VAL A 95 -0.699 11.048 -10.130 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.372 13.463 -11.630 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.846 10.989 -10.766 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -4.732 11.805 -12.134 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -4.416 12.861 -10.737 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.887 13.354 -12.363 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.896 10.536 -13.193 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -1.948 12.014 -13.481 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.233 10.661 -12.572 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.498 12.906 -8.588 1.00 0.00 N ATOM 1495 CA LEU A 96 -3.051 13.560 -7.415 1.00 0.00 C ATOM 1496 C LEU A 96 -2.250 14.831 -7.120 1.00 0.00 C ATOM 1497 O LEU A 96 -2.804 15.821 -6.646 1.00 0.00 O ATOM 1498 CB LEU A 96 -3.112 12.585 -6.237 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.507 12.095 -5.843 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -5.330 13.225 -5.222 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.220 11.456 -7.037 1.00 0.00 C ATOM 0 H LEU A 96 -2.332 11.905 -8.480 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.081 13.867 -7.599 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -2.498 11.717 -6.477 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.659 13.065 -5.370 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.396 11.322 -5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -6.317 12.850 -4.951 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -4.825 13.595 -4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -5.435 14.036 -5.942 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.209 11.116 -6.731 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.320 12.190 -7.836 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -4.639 10.606 -7.395 1.00 0.00 H new ATOM 1513 N LEU A 97 -0.961 14.761 -7.415 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.079 15.893 -7.188 1.00 0.00 C ATOM 1515 C LEU A 97 -0.766 17.173 -7.666 1.00 0.00 C ATOM 1516 O LEU A 97 -0.911 18.127 -6.902 1.00 0.00 O ATOM 1517 CB LEU A 97 1.285 15.649 -7.837 1.00 0.00 C ATOM 1518 CG LEU A 97 2.499 16.163 -7.061 1.00 0.00 C ATOM 1519 CD1 LEU A 97 2.511 17.692 -7.012 1.00 0.00 C ATOM 1520 CD2 LEU A 97 2.559 15.544 -5.663 1.00 0.00 C ATOM 0 H LEU A 97 -0.506 13.938 -7.809 1.00 0.00 H new ATOM 0 HA LEU A 97 0.118 16.014 -6.123 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.405 14.577 -7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 97 1.285 16.115 -8.822 1.00 0.00 H new ATOM 0 HG LEU A 97 3.399 15.851 -7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.384 18.031 -6.455 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.552 18.088 -8.027 1.00 0.00 H new ATOM 0 HD13 LEU A 97 1.606 18.047 -6.520 1.00 0.00 H new ATOM 0 HD21 LEU A 97 3.431 15.926 -5.133 1.00 0.00 H new ATOM 0 HD22 LEU A 97 1.656 15.804 -5.111 1.00 0.00 H new ATOM 0 HD23 LEU A 97 2.633 14.460 -5.748 1.00 0.00 H new ATOM 1532 N LEU A 98 -1.172 17.154 -8.927 1.00 0.00 N ATOM 1533 CA LEU A 98 -1.841 18.302 -9.516 1.00 0.00 C ATOM 1534 C LEU A 98 -3.092 18.631 -8.699 1.00 0.00 C ATOM 1535 O LEU A 98 -3.282 19.772 -8.281 1.00 0.00 O ATOM 1536 CB LEU A 98 -2.122 18.055 -10.999 1.00 0.00 C ATOM 1537 CG LEU A 98 -1.266 18.852 -11.986 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -0.032 18.053 -12.411 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -2.095 19.308 -13.187 1.00 0.00 C ATOM 0 H LEU A 98 -1.051 16.362 -9.558 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.196 19.180 -9.480 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.983 16.993 -11.203 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.170 18.282 -11.192 1.00 0.00 H new ATOM 0 HG LEU A 98 -0.910 19.750 -11.481 1.00 0.00 H new ATOM 0 HD11 LEU A 98 0.559 18.642 -13.112 1.00 0.00 H new ATOM 0 HD12 LEU A 98 0.571 17.821 -11.533 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -0.346 17.126 -12.891 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -1.463 19.872 -13.873 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.501 18.437 -13.701 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -2.914 19.941 -12.845 1.00 0.00 H new ATOM 1551 N LEU A 99 -3.913 17.611 -8.496 1.00 0.00 N ATOM 1552 CA LEU A 99 -5.141 17.778 -7.737 1.00 0.00 C ATOM 1553 C LEU A 99 -4.842 18.565 -6.459 1.00 0.00 C ATOM 1554 O LEU A 99 -5.524 18.397 -5.449 1.00 0.00 O ATOM 1555 CB LEU A 99 -5.803 16.423 -7.484 1.00 0.00 C ATOM 1556 CG LEU A 99 -6.891 16.011 -8.479 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -6.284 15.646 -9.835 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -7.752 14.881 -7.913 1.00 0.00 C ATOM 0 H LEU A 99 -3.752 16.666 -8.844 1.00 0.00 H new ATOM 0 HA LEU A 99 -5.866 18.359 -8.308 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.028 15.656 -7.486 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.238 16.434 -6.485 1.00 0.00 H new ATOM 0 HG LEU A 99 -7.548 16.866 -8.640 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -7.078 15.357 -10.523 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -5.750 16.506 -10.238 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.591 14.814 -9.711 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -8.517 14.607 -8.640 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.124 14.015 -7.704 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.230 15.214 -6.992 1.00 0.00 H new