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 91:sc= 0.0223 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 51:sc= 1.27 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 X(o=0,f=-0.38) 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 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 91:sc= 0.976 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 156:sc= -0.0789 (180deg=-0.221) USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 95 N GLY A 7 -19.054 -5.206 -22.859 1.00 0.00 N ATOM 96 CA GLY A 7 -19.589 -4.004 -22.243 1.00 0.00 C ATOM 97 C GLY A 7 -20.491 -4.352 -21.057 1.00 0.00 C ATOM 98 O GLY A 7 -20.263 -3.884 -19.942 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.770 -3.367 -21.908 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -20.155 -3.434 -22.980 1.00 0.00 H new ATOM 102 N TYR A 8 -21.496 -5.168 -21.337 1.00 0.00 N ATOM 103 CA TYR A 8 -22.432 -5.584 -20.307 1.00 0.00 C ATOM 104 C TYR A 8 -21.694 -6.061 -19.055 1.00 0.00 C ATOM 105 O TYR A 8 -22.005 -5.631 -17.945 1.00 0.00 O ATOM 106 CB TYR A 8 -23.218 -6.755 -20.899 1.00 0.00 C ATOM 107 CG TYR A 8 -24.606 -6.947 -20.285 1.00 0.00 C ATOM 108 CD1 TYR A 8 -24.730 -7.374 -18.978 1.00 0.00 C ATOM 109 CD2 TYR A 8 -25.735 -6.693 -21.038 1.00 0.00 C ATOM 110 CE1 TYR A 8 -26.037 -7.554 -18.401 1.00 0.00 C ATOM 111 CE2 TYR A 8 -27.042 -6.874 -20.460 1.00 0.00 C ATOM 112 CZ TYR A 8 -27.128 -7.295 -19.170 1.00 0.00 C ATOM 113 OH TYR A 8 -28.362 -7.466 -18.624 1.00 0.00 O ATOM 0 H TYR A 8 -21.683 -5.553 -22.263 1.00 0.00 H new ATOM 0 HA TYR A 8 -23.075 -4.754 -20.016 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -23.325 -6.601 -21.973 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -22.642 -7.671 -20.764 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -23.847 -7.573 -18.389 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -25.638 -6.359 -22.060 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -26.148 -7.887 -17.380 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -27.933 -6.680 -21.038 1.00 0.00 H new ATOM 0 HH TYR A 8 -29.047 -7.243 -19.288 1.00 0.00 H new ATOM 123 N ALA A 9 -20.731 -6.943 -19.275 1.00 0.00 N ATOM 124 CA ALA A 9 -19.946 -7.483 -18.178 1.00 0.00 C ATOM 125 C ALA A 9 -19.288 -6.334 -17.413 1.00 0.00 C ATOM 126 O ALA A 9 -19.153 -6.392 -16.191 1.00 0.00 O ATOM 127 CB ALA A 9 -18.923 -8.481 -18.725 1.00 0.00 C ATOM 0 H ALA A 9 -20.476 -7.298 -20.197 1.00 0.00 H new ATOM 0 HA ALA A 9 -20.585 -8.021 -17.478 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -18.334 -8.886 -17.902 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -19.443 -9.293 -19.233 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -18.262 -7.976 -19.430 1.00 0.00 H new ATOM 133 N ALA A 10 -18.895 -5.314 -18.163 1.00 0.00 N ATOM 134 CA ALA A 10 -18.254 -4.153 -17.570 1.00 0.00 C ATOM 135 C ALA A 10 -19.285 -3.365 -16.760 1.00 0.00 C ATOM 136 O ALA A 10 -18.939 -2.711 -15.777 1.00 0.00 O ATOM 137 CB ALA A 10 -17.609 -3.308 -18.671 1.00 0.00 C ATOM 0 H ALA A 10 -19.008 -5.268 -19.176 1.00 0.00 H new ATOM 0 HA ALA A 10 -17.462 -4.459 -16.887 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -17.128 -2.437 -18.226 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -16.864 -3.904 -19.198 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -18.375 -2.980 -19.374 1.00 0.00 H new ATOM 143 N LEU A 11 -20.530 -3.453 -17.202 1.00 0.00 N ATOM 144 CA LEU A 11 -21.614 -2.756 -16.529 1.00 0.00 C ATOM 145 C LEU A 11 -21.878 -3.418 -15.176 1.00 0.00 C ATOM 146 O LEU A 11 -21.965 -2.738 -14.154 1.00 0.00 O ATOM 147 CB LEU A 11 -22.848 -2.688 -17.431 1.00 0.00 C ATOM 148 CG LEU A 11 -24.156 -2.282 -16.749 1.00 0.00 C ATOM 149 CD1 LEU A 11 -24.517 -0.831 -17.074 1.00 0.00 C ATOM 150 CD2 LEU A 11 -25.286 -3.248 -17.110 1.00 0.00 C ATOM 0 H LEU A 11 -20.813 -3.996 -18.018 1.00 0.00 H new ATOM 0 HA LEU A 11 -21.336 -1.721 -16.329 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -22.647 -1.981 -18.236 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -22.990 -3.665 -17.893 1.00 0.00 H new ATOM 0 HG LEU A 11 -24.012 -2.344 -15.670 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -25.451 -0.568 -16.577 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -23.722 -0.172 -16.725 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -24.636 -0.718 -18.152 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -26.204 -2.936 -16.612 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -25.439 -3.242 -18.189 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -25.021 -4.255 -16.786 1.00 0.00 H new ATOM 162 N VAL A 12 -21.998 -4.737 -15.211 1.00 0.00 N ATOM 163 CA VAL A 12 -22.250 -5.499 -14.000 1.00 0.00 C ATOM 164 C VAL A 12 -21.117 -5.251 -13.002 1.00 0.00 C ATOM 165 O VAL A 12 -21.367 -4.951 -11.835 1.00 0.00 O ATOM 166 CB VAL A 12 -22.433 -6.979 -14.340 1.00 0.00 C ATOM 167 CG1 VAL A 12 -22.564 -7.822 -13.070 1.00 0.00 C ATOM 168 CG2 VAL A 12 -23.637 -7.185 -15.262 1.00 0.00 C ATOM 0 H VAL A 12 -21.925 -5.298 -16.060 1.00 0.00 H new ATOM 0 HA VAL A 12 -23.177 -5.171 -13.529 1.00 0.00 H new ATOM 0 HB VAL A 12 -21.542 -7.313 -14.872 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -22.693 -8.870 -13.341 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -21.664 -7.712 -12.465 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -23.429 -7.486 -12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -23.745 -8.246 -15.488 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -24.540 -6.826 -14.767 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -23.485 -6.630 -16.188 1.00 0.00 H new ATOM 178 N THR A 13 -19.895 -5.385 -13.497 1.00 0.00 N ATOM 179 CA THR A 13 -18.723 -5.179 -12.663 1.00 0.00 C ATOM 180 C THR A 13 -18.788 -3.812 -11.980 1.00 0.00 C ATOM 181 O THR A 13 -18.741 -3.723 -10.754 1.00 0.00 O ATOM 182 CB THR A 13 -17.482 -5.363 -13.538 1.00 0.00 C ATOM 183 OG1 THR A 13 -17.336 -6.776 -13.642 1.00 0.00 O ATOM 184 CG2 THR A 13 -16.200 -4.906 -12.840 1.00 0.00 C ATOM 0 H THR A 13 -19.691 -5.634 -14.465 1.00 0.00 H new ATOM 0 HA THR A 13 -18.679 -5.909 -11.855 1.00 0.00 H new ATOM 0 HB THR A 13 -17.608 -4.806 -14.467 1.00 0.00 H new ATOM 0 HG1 THR A 13 -17.829 -7.099 -14.425 1.00 0.00 H new ATOM 0 HG21 THR A 13 -15.350 -5.058 -13.505 1.00 0.00 H new ATOM 0 HG22 THR A 13 -16.280 -3.848 -12.589 1.00 0.00 H new ATOM 0 HG23 THR A 13 -16.056 -5.485 -11.928 1.00 0.00 H new ATOM 192 N PHE A 14 -18.895 -2.779 -12.803 1.00 0.00 N ATOM 193 CA PHE A 14 -18.967 -1.420 -12.294 1.00 0.00 C ATOM 194 C PHE A 14 -20.033 -1.299 -11.203 1.00 0.00 C ATOM 195 O PHE A 14 -19.732 -0.910 -10.076 1.00 0.00 O ATOM 196 CB PHE A 14 -19.352 -0.521 -13.470 1.00 0.00 C ATOM 197 CG PHE A 14 -18.745 0.882 -13.406 1.00 0.00 C ATOM 198 CD1 PHE A 14 -17.394 1.038 -13.391 1.00 0.00 C ATOM 199 CD2 PHE A 14 -19.555 1.973 -13.365 1.00 0.00 C ATOM 200 CE1 PHE A 14 -16.830 2.339 -13.332 1.00 0.00 C ATOM 201 CE2 PHE A 14 -18.992 3.275 -13.306 1.00 0.00 C ATOM 202 CZ PHE A 14 -17.641 3.430 -13.291 1.00 0.00 C ATOM 0 H PHE A 14 -18.934 -2.856 -13.819 1.00 0.00 H new ATOM 0 HA PHE A 14 -18.009 -1.134 -11.861 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -19.038 -0.999 -14.398 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -20.438 -0.434 -13.508 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -16.750 0.172 -13.424 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -20.628 1.849 -13.377 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -15.757 2.463 -13.320 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -19.636 4.141 -13.273 1.00 0.00 H new ATOM 0 HZ PHE A 14 -17.212 4.420 -13.247 1.00 0.00 H new ATOM 212 N GLY A 15 -21.258 -1.640 -11.578 1.00 0.00 N ATOM 213 CA GLY A 15 -22.371 -1.574 -10.646 1.00 0.00 C ATOM 214 C GLY A 15 -22.066 -2.364 -9.372 1.00 0.00 C ATOM 215 O GLY A 15 -21.923 -1.784 -8.297 1.00 0.00 O ATOM 0 H GLY A 15 -21.504 -1.963 -12.514 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -22.577 -0.534 -10.393 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -23.270 -1.971 -11.118 1.00 0.00 H new ATOM 219 N SER A 16 -21.977 -3.676 -9.535 1.00 0.00 N ATOM 220 CA SER A 16 -21.693 -4.552 -8.411 1.00 0.00 C ATOM 221 C SER A 16 -20.639 -3.914 -7.504 1.00 0.00 C ATOM 222 O SER A 16 -20.887 -3.690 -6.320 1.00 0.00 O ATOM 223 CB SER A 16 -21.220 -5.926 -8.890 1.00 0.00 C ATOM 224 OG SER A 16 -22.272 -6.887 -8.880 1.00 0.00 O ATOM 0 H SER A 16 -22.097 -4.153 -10.428 1.00 0.00 H new ATOM 0 HA SER A 16 -22.614 -4.692 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 16 -20.818 -5.839 -9.899 1.00 0.00 H new ATOM 0 HB3 SER A 16 -20.407 -6.272 -8.252 1.00 0.00 H new ATOM 0 HG SER A 16 -21.930 -7.750 -9.194 1.00 0.00 H new ATOM 230 N ILE A 17 -19.485 -3.640 -8.094 1.00 0.00 N ATOM 231 CA ILE A 17 -18.392 -3.032 -7.353 1.00 0.00 C ATOM 232 C ILE A 17 -18.922 -1.836 -6.560 1.00 0.00 C ATOM 233 O ILE A 17 -18.627 -1.693 -5.374 1.00 0.00 O ATOM 234 CB ILE A 17 -17.237 -2.683 -8.294 1.00 0.00 C ATOM 235 CG1 ILE A 17 -16.255 -3.850 -8.413 1.00 0.00 C ATOM 236 CG2 ILE A 17 -16.543 -1.392 -7.854 1.00 0.00 C ATOM 237 CD1 ILE A 17 -16.981 -5.141 -8.794 1.00 0.00 C ATOM 0 H ILE A 17 -19.283 -3.827 -9.076 1.00 0.00 H new ATOM 0 HA ILE A 17 -17.982 -3.737 -6.630 1.00 0.00 H new ATOM 0 HB ILE A 17 -17.647 -2.505 -9.288 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -15.499 -3.619 -9.163 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -15.733 -3.988 -7.466 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -15.726 -1.166 -8.539 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -17.261 -0.572 -7.863 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -16.147 -1.517 -6.846 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -16.260 -5.955 -8.872 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -17.719 -5.383 -8.029 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -17.482 -5.007 -9.753 1.00 0.00 H new ATOM 249 N PHE A 18 -19.696 -1.008 -7.245 1.00 0.00 N ATOM 250 CA PHE A 18 -20.271 0.171 -6.619 1.00 0.00 C ATOM 251 C PHE A 18 -21.057 -0.204 -5.362 1.00 0.00 C ATOM 252 O PHE A 18 -21.007 0.506 -4.359 1.00 0.00 O ATOM 253 CB PHE A 18 -21.227 0.797 -7.637 1.00 0.00 C ATOM 254 CG PHE A 18 -21.460 2.295 -7.432 1.00 0.00 C ATOM 255 CD1 PHE A 18 -20.420 3.165 -7.531 1.00 0.00 C ATOM 256 CD2 PHE A 18 -22.708 2.756 -7.150 1.00 0.00 C ATOM 257 CE1 PHE A 18 -20.636 4.555 -7.341 1.00 0.00 C ATOM 258 CE2 PHE A 18 -22.925 4.147 -6.960 1.00 0.00 C ATOM 259 CZ PHE A 18 -21.884 5.017 -7.059 1.00 0.00 C ATOM 0 H PHE A 18 -19.939 -1.130 -8.228 1.00 0.00 H new ATOM 0 HA PHE A 18 -19.479 0.861 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -20.831 0.635 -8.639 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -22.185 0.280 -7.586 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -19.429 2.798 -7.754 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -23.534 2.065 -7.071 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -19.810 5.246 -7.420 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -23.916 4.514 -6.737 1.00 0.00 H new ATOM 0 HZ PHE A 18 -22.048 6.074 -6.914 1.00 0.00 H new ATOM 269 N GLY A 19 -21.765 -1.320 -5.456 1.00 0.00 N ATOM 270 CA GLY A 19 -22.561 -1.798 -4.338 1.00 0.00 C ATOM 271 C GLY A 19 -21.684 -2.504 -3.302 1.00 0.00 C ATOM 272 O GLY A 19 -22.080 -2.656 -2.148 1.00 0.00 O ATOM 0 H GLY A 19 -21.804 -1.907 -6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -23.079 -0.960 -3.871 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -23.327 -2.484 -4.699 1.00 0.00 H new ATOM 276 N TYR A 20 -20.507 -2.915 -3.752 1.00 0.00 N ATOM 277 CA TYR A 20 -19.570 -3.601 -2.879 1.00 0.00 C ATOM 278 C TYR A 20 -20.300 -4.564 -1.940 1.00 0.00 C ATOM 279 O TYR A 20 -20.718 -4.177 -0.850 1.00 0.00 O ATOM 280 CB TYR A 20 -18.895 -2.509 -2.045 1.00 0.00 C ATOM 281 CG TYR A 20 -17.599 -2.957 -1.366 1.00 0.00 C ATOM 282 CD1 TYR A 20 -16.406 -2.912 -2.058 1.00 0.00 C ATOM 283 CD2 TYR A 20 -17.624 -3.407 -0.061 1.00 0.00 C ATOM 284 CE1 TYR A 20 -15.186 -3.333 -1.419 1.00 0.00 C ATOM 285 CE2 TYR A 20 -16.404 -3.829 0.578 1.00 0.00 C ATOM 286 CZ TYR A 20 -15.246 -3.771 -0.133 1.00 0.00 C ATOM 287 OH TYR A 20 -14.094 -4.169 0.471 1.00 0.00 O ATOM 0 H TYR A 20 -20.181 -2.786 -4.710 1.00 0.00 H new ATOM 0 HA TYR A 20 -18.857 -4.183 -3.463 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -18.680 -1.656 -2.688 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -19.593 -2.165 -1.282 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -16.387 -2.561 -3.079 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -18.558 -3.443 0.480 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.245 -3.302 -1.949 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -16.409 -4.183 1.598 1.00 0.00 H new ATOM 0 HH TYR A 20 -14.287 -4.455 1.388 1.00 0.00 H new ATOM 297 N LYS A 21 -20.430 -5.800 -2.398 1.00 0.00 N ATOM 298 CA LYS A 21 -21.102 -6.822 -1.613 1.00 0.00 C ATOM 299 C LYS A 21 -20.132 -7.976 -1.349 1.00 0.00 C ATOM 300 O LYS A 21 -19.952 -8.847 -2.198 1.00 0.00 O ATOM 301 CB LYS A 21 -22.401 -7.255 -2.297 1.00 0.00 C ATOM 302 CG LYS A 21 -22.135 -7.740 -3.723 1.00 0.00 C ATOM 303 CD LYS A 21 -22.627 -9.176 -3.915 1.00 0.00 C ATOM 304 CE LYS A 21 -21.967 -9.824 -5.133 1.00 0.00 C ATOM 305 NZ LYS A 21 -21.805 -11.280 -4.922 1.00 0.00 N ATOM 0 H LYS A 21 -20.082 -6.117 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 21 -21.397 -6.424 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -22.872 -8.051 -1.720 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -23.101 -6.420 -2.318 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -22.635 -7.082 -4.434 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -21.067 -7.686 -3.936 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -22.406 -9.762 -3.023 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -23.710 -9.180 -4.039 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -22.573 -9.645 -6.021 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -20.994 -9.366 -5.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -21.355 -11.704 -5.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -21.208 -11.445 -4.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -22.738 -11.715 -4.772 1.00 0.00 H new ATOM 319 N ARG A 22 -19.533 -7.944 -0.168 1.00 0.00 N ATOM 320 CA ARG A 22 -18.587 -8.976 0.219 1.00 0.00 C ATOM 321 C ARG A 22 -17.326 -8.890 -0.643 1.00 0.00 C ATOM 322 O ARG A 22 -17.332 -9.305 -1.801 1.00 0.00 O ATOM 323 CB ARG A 22 -19.201 -10.370 0.074 1.00 0.00 C ATOM 324 CG ARG A 22 -18.869 -11.244 1.285 1.00 0.00 C ATOM 325 CD ARG A 22 -19.175 -12.716 0.999 1.00 0.00 C ATOM 326 NE ARG A 22 -18.772 -13.550 2.153 1.00 0.00 N ATOM 327 CZ ARG A 22 -19.173 -14.815 2.342 1.00 0.00 C ATOM 328 NH1 ARG A 22 -19.990 -15.398 1.455 1.00 0.00 N ATOM 329 NH2 ARG A 22 -18.756 -15.496 3.418 1.00 0.00 N ATOM 0 H ARG A 22 -19.685 -7.219 0.534 1.00 0.00 H new ATOM 0 HA ARG A 22 -18.329 -8.813 1.265 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -20.282 -10.286 -0.033 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -18.827 -10.843 -0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -17.816 -11.131 1.542 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -19.445 -10.910 2.148 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -20.239 -12.843 0.802 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -18.644 -13.039 0.103 1.00 0.00 H new ATOM 0 HE ARG A 22 -18.150 -13.137 2.848 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -20.307 -14.879 0.636 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -20.295 -16.361 1.599 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -18.134 -15.052 4.093 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -19.061 -16.459 3.562 1.00 0.00 H new ATOM 343 N ARG A 23 -16.274 -8.349 -0.045 1.00 0.00 N ATOM 344 CA ARG A 23 -15.009 -8.203 -0.744 1.00 0.00 C ATOM 345 C ARG A 23 -13.849 -8.196 0.254 1.00 0.00 C ATOM 346 O ARG A 23 -13.939 -7.575 1.312 1.00 0.00 O ATOM 347 CB ARG A 23 -14.977 -6.910 -1.562 1.00 0.00 C ATOM 348 CG ARG A 23 -15.534 -7.137 -2.969 1.00 0.00 C ATOM 349 CD ARG A 23 -14.656 -6.458 -4.022 1.00 0.00 C ATOM 350 NE ARG A 23 -13.879 -7.474 -4.765 1.00 0.00 N ATOM 351 CZ ARG A 23 -12.882 -7.186 -5.613 1.00 0.00 C ATOM 352 NH1 ARG A 23 -12.534 -5.910 -5.829 1.00 0.00 N ATOM 353 NH2 ARG A 23 -12.232 -8.173 -6.244 1.00 0.00 N ATOM 0 H ARG A 23 -16.272 -8.007 0.916 1.00 0.00 H new ATOM 0 HA ARG A 23 -14.905 -9.050 -1.422 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -15.560 -6.141 -1.056 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -13.953 -6.542 -1.627 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -15.592 -8.206 -3.173 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -16.549 -6.746 -3.030 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -15.277 -5.887 -4.712 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -13.980 -5.750 -3.542 1.00 0.00 H new ATOM 0 HE ARG A 23 -14.117 -8.456 -4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -13.028 -5.158 -5.348 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -11.775 -5.691 -6.474 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -12.496 -9.144 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.473 -7.953 -6.889 1.00 0.00 H new ATOM 367 N GLY A 24 -12.786 -8.895 -0.118 1.00 0.00 N ATOM 368 CA GLY A 24 -11.610 -8.977 0.731 1.00 0.00 C ATOM 369 C GLY A 24 -11.065 -10.406 0.776 1.00 0.00 C ATOM 370 O GLY A 24 -11.730 -11.342 0.335 1.00 0.00 O ATOM 0 H GLY A 24 -12.715 -9.409 -0.996 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.840 -8.302 0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.861 -8.648 1.739 1.00 0.00 H new ATOM 374 N GLY A 25 -9.859 -10.528 1.311 1.00 0.00 N ATOM 375 CA GLY A 25 -9.216 -11.827 1.419 1.00 0.00 C ATOM 376 C GLY A 25 -7.772 -11.686 1.902 1.00 0.00 C ATOM 377 O GLY A 25 -7.497 -11.818 3.094 1.00 0.00 O ATOM 0 H GLY A 25 -9.310 -9.749 1.674 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -9.775 -12.457 2.111 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.232 -12.326 0.450 1.00 0.00 H new ATOM 381 N VAL A 26 -6.887 -11.418 0.953 1.00 0.00 N ATOM 382 CA VAL A 26 -5.478 -11.257 1.268 1.00 0.00 C ATOM 383 C VAL A 26 -5.338 -10.504 2.592 1.00 0.00 C ATOM 384 O VAL A 26 -5.441 -9.279 2.627 1.00 0.00 O ATOM 385 CB VAL A 26 -4.758 -10.566 0.108 1.00 0.00 C ATOM 386 CG1 VAL A 26 -4.831 -11.412 -1.165 1.00 0.00 C ATOM 387 CG2 VAL A 26 -5.324 -9.165 -0.132 1.00 0.00 C ATOM 0 H VAL A 26 -7.119 -11.308 -0.034 1.00 0.00 H new ATOM 0 HA VAL A 26 -5.002 -12.229 1.396 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.708 -10.461 0.381 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.312 -10.898 -1.974 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -4.359 -12.378 -0.987 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -5.874 -11.563 -1.442 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.795 -8.696 -0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.385 -9.237 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.196 -8.562 0.767 1.00 0.00 H new ATOM 397 N PRO A 27 -5.099 -11.288 3.677 1.00 0.00 N ATOM 398 CA PRO A 27 -4.944 -10.708 5.000 1.00 0.00 C ATOM 399 C PRO A 27 -3.579 -10.031 5.146 1.00 0.00 C ATOM 400 O PRO A 27 -2.715 -10.519 5.872 1.00 0.00 O ATOM 401 CB PRO A 27 -5.138 -11.868 5.963 1.00 0.00 C ATOM 402 CG PRO A 27 -4.932 -13.130 5.142 1.00 0.00 C ATOM 403 CD PRO A 27 -4.971 -12.742 3.673 1.00 0.00 C ATOM 0 HA PRO A 27 -5.667 -9.917 5.200 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -4.425 -11.816 6.785 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -6.135 -11.847 6.404 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -3.977 -13.594 5.389 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.709 -13.861 5.364 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -4.065 -13.058 3.156 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.811 -13.212 3.161 1.00 0.00 H new ATOM 411 N SER A 28 -3.428 -8.918 4.443 1.00 0.00 N ATOM 412 CA SER A 28 -2.184 -8.170 4.485 1.00 0.00 C ATOM 413 C SER A 28 -2.319 -6.884 3.667 1.00 0.00 C ATOM 414 O SER A 28 -2.303 -5.786 4.222 1.00 0.00 O ATOM 415 CB SER A 28 -1.018 -9.011 3.962 1.00 0.00 C ATOM 416 OG SER A 28 -0.414 -9.787 4.995 1.00 0.00 O ATOM 0 H SER A 28 -4.147 -8.517 3.841 1.00 0.00 H new ATOM 0 HA SER A 28 -1.974 -7.913 5.523 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.374 -9.673 3.172 1.00 0.00 H new ATOM 0 HB3 SER A 28 -0.270 -8.356 3.516 1.00 0.00 H new ATOM 0 HG SER A 28 -1.106 -10.291 5.473 1.00 0.00 H new ATOM 422 N LEU A 29 -2.448 -7.062 2.360 1.00 0.00 N ATOM 423 CA LEU A 29 -2.586 -5.929 1.461 1.00 0.00 C ATOM 424 C LEU A 29 -3.536 -4.903 2.081 1.00 0.00 C ATOM 425 O LEU A 29 -3.203 -3.723 2.177 1.00 0.00 O ATOM 426 CB LEU A 29 -3.013 -6.400 0.069 1.00 0.00 C ATOM 427 CG LEU A 29 -2.527 -5.547 -1.105 1.00 0.00 C ATOM 428 CD1 LEU A 29 -1.138 -5.991 -1.567 1.00 0.00 C ATOM 429 CD2 LEU A 29 -3.543 -5.561 -2.250 1.00 0.00 C ATOM 0 H LEU A 29 -2.460 -7.974 1.903 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.626 -5.432 1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -2.654 -7.419 -0.074 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -4.102 -6.439 0.038 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.439 -4.515 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -0.816 -5.369 -2.402 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -0.431 -5.888 -0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.176 -7.033 -1.885 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -3.174 -4.947 -3.072 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -3.686 -6.584 -2.597 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -4.494 -5.161 -1.898 1.00 0.00 H new ATOM 441 N ILE A 30 -4.699 -5.390 2.487 1.00 0.00 N ATOM 442 CA ILE A 30 -5.699 -4.530 3.096 1.00 0.00 C ATOM 443 C ILE A 30 -5.048 -3.705 4.207 1.00 0.00 C ATOM 444 O ILE A 30 -5.210 -2.486 4.257 1.00 0.00 O ATOM 445 CB ILE A 30 -6.901 -5.353 3.564 1.00 0.00 C ATOM 446 CG1 ILE A 30 -8.209 -4.592 3.338 1.00 0.00 C ATOM 447 CG2 ILE A 30 -6.734 -5.785 5.023 1.00 0.00 C ATOM 448 CD1 ILE A 30 -8.376 -3.470 4.364 1.00 0.00 C ATOM 0 H ILE A 30 -4.971 -6.370 2.406 1.00 0.00 H new ATOM 0 HA ILE A 30 -6.091 -3.825 2.363 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.949 -6.260 2.962 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -8.221 -4.174 2.332 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -9.051 -5.281 3.407 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -7.602 -6.368 5.331 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.834 -6.393 5.122 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -6.647 -4.902 5.656 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -9.314 -2.946 4.180 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -8.388 -3.894 5.368 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -7.545 -2.770 4.276 1.00 0.00 H new ATOM 460 N ALA A 31 -4.324 -4.401 5.071 1.00 0.00 N ATOM 461 CA ALA A 31 -3.647 -3.749 6.179 1.00 0.00 C ATOM 462 C ALA A 31 -2.749 -2.635 5.637 1.00 0.00 C ATOM 463 O ALA A 31 -2.615 -1.582 6.259 1.00 0.00 O ATOM 464 CB ALA A 31 -2.866 -4.788 6.984 1.00 0.00 C ATOM 0 H ALA A 31 -4.191 -5.411 5.026 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.370 -3.291 6.854 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.358 -4.298 7.815 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.553 -5.540 7.371 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.129 -5.268 6.340 1.00 0.00 H new ATOM 470 N GLY A 32 -2.156 -2.905 4.483 1.00 0.00 N ATOM 471 CA GLY A 32 -1.274 -1.939 3.850 1.00 0.00 C ATOM 472 C GLY A 32 -2.067 -0.754 3.297 1.00 0.00 C ATOM 473 O GLY A 32 -1.554 0.362 3.225 1.00 0.00 O ATOM 0 H GLY A 32 -2.269 -3.779 3.970 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.539 -1.584 4.572 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.721 -2.420 3.043 1.00 0.00 H new ATOM 477 N LEU A 33 -3.305 -1.035 2.919 1.00 0.00 N ATOM 478 CA LEU A 33 -4.174 -0.006 2.373 1.00 0.00 C ATOM 479 C LEU A 33 -4.720 0.852 3.516 1.00 0.00 C ATOM 480 O LEU A 33 -4.913 2.056 3.356 1.00 0.00 O ATOM 481 CB LEU A 33 -5.262 -0.632 1.499 1.00 0.00 C ATOM 482 CG LEU A 33 -4.926 -0.782 0.014 1.00 0.00 C ATOM 483 CD1 LEU A 33 -4.200 -2.102 -0.253 1.00 0.00 C ATOM 484 CD2 LEU A 33 -6.180 -0.633 -0.850 1.00 0.00 C ATOM 0 H LEU A 33 -3.728 -1.961 2.980 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.613 0.658 1.715 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.499 -1.618 1.899 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -6.164 -0.027 1.588 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.245 0.022 -0.265 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.973 -2.184 -1.316 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -3.273 -2.130 0.319 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.837 -2.934 0.047 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -5.913 -0.744 -1.901 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.904 -1.401 -0.576 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.618 0.352 -0.689 1.00 0.00 H new ATOM 496 N PHE A 34 -4.954 0.198 4.645 1.00 0.00 N ATOM 497 CA PHE A 34 -5.475 0.886 5.814 1.00 0.00 C ATOM 498 C PHE A 34 -4.429 1.834 6.403 1.00 0.00 C ATOM 499 O PHE A 34 -4.736 2.980 6.727 1.00 0.00 O ATOM 500 CB PHE A 34 -5.815 -0.187 6.850 1.00 0.00 C ATOM 501 CG PHE A 34 -7.001 0.169 7.749 1.00 0.00 C ATOM 502 CD1 PHE A 34 -6.822 0.996 8.814 1.00 0.00 C ATOM 503 CD2 PHE A 34 -8.233 -0.341 7.483 1.00 0.00 C ATOM 504 CE1 PHE A 34 -7.923 1.327 9.648 1.00 0.00 C ATOM 505 CE2 PHE A 34 -9.334 -0.010 8.317 1.00 0.00 C ATOM 506 CZ PHE A 34 -9.155 0.817 9.382 1.00 0.00 C ATOM 0 H PHE A 34 -4.792 -0.801 4.775 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.349 1.477 5.539 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -6.032 -1.121 6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -4.939 -0.365 7.474 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.843 1.401 9.025 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.374 -0.998 6.637 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -7.782 1.984 10.494 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -10.313 -0.415 8.106 1.00 0.00 H new ATOM 0 HZ PHE A 34 -9.992 1.069 10.017 1.00 0.00 H new ATOM 516 N VAL A 35 -3.214 1.320 6.526 1.00 0.00 N ATOM 517 CA VAL A 35 -2.120 2.106 7.071 1.00 0.00 C ATOM 518 C VAL A 35 -1.754 3.216 6.083 1.00 0.00 C ATOM 519 O VAL A 35 -1.600 4.372 6.473 1.00 0.00 O ATOM 520 CB VAL A 35 -0.939 1.195 7.411 1.00 0.00 C ATOM 521 CG1 VAL A 35 -0.349 0.566 6.146 1.00 0.00 C ATOM 522 CG2 VAL A 35 0.132 1.955 8.196 1.00 0.00 C ATOM 0 H VAL A 35 -2.963 0.369 6.257 1.00 0.00 H new ATOM 0 HA VAL A 35 -2.421 2.586 8.002 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.310 0.389 8.044 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.489 -0.077 6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.114 -0.026 5.644 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.002 1.353 5.476 1.00 0.00 H new ATOM 0 HG21 VAL A 35 0.960 1.284 8.425 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.496 2.791 7.599 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -0.296 2.332 9.125 1.00 0.00 H new ATOM 532 N GLY A 36 -1.624 2.825 4.824 1.00 0.00 N ATOM 533 CA GLY A 36 -1.278 3.772 3.778 1.00 0.00 C ATOM 534 C GLY A 36 -2.267 4.939 3.747 1.00 0.00 C ATOM 535 O GLY A 36 -1.862 6.100 3.740 1.00 0.00 O ATOM 0 H GLY A 36 -1.752 1.865 4.505 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.269 4.150 3.944 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.275 3.267 2.812 1.00 0.00 H new ATOM 539 N CYS A 37 -3.545 4.590 3.728 1.00 0.00 N ATOM 540 CA CYS A 37 -4.595 5.594 3.698 1.00 0.00 C ATOM 541 C CYS A 37 -4.509 6.418 4.985 1.00 0.00 C ATOM 542 O CYS A 37 -4.349 7.636 4.936 1.00 0.00 O ATOM 543 CB CYS A 37 -5.977 4.963 3.516 1.00 0.00 C ATOM 544 SG CYS A 37 -6.470 5.035 1.755 1.00 0.00 S ATOM 0 H CYS A 37 -3.877 3.626 3.733 1.00 0.00 H new ATOM 0 HA CYS A 37 -4.451 6.248 2.838 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -5.961 3.927 3.856 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -6.709 5.488 4.129 1.00 0.00 H new ATOM 0 HG CYS A 37 -7.644 4.495 1.610 1.00 0.00 H new ATOM 550 N LEU A 38 -4.619 5.719 6.105 1.00 0.00 N ATOM 551 CA LEU A 38 -4.556 6.370 7.402 1.00 0.00 C ATOM 552 C LEU A 38 -3.453 7.430 7.383 1.00 0.00 C ATOM 553 O LEU A 38 -3.660 8.555 7.834 1.00 0.00 O ATOM 554 CB LEU A 38 -4.394 5.333 8.515 1.00 0.00 C ATOM 555 CG LEU A 38 -3.887 5.864 9.858 1.00 0.00 C ATOM 556 CD1 LEU A 38 -5.004 5.863 10.904 1.00 0.00 C ATOM 557 CD2 LEU A 38 -2.660 5.082 10.329 1.00 0.00 C ATOM 0 H LEU A 38 -4.751 4.708 6.141 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.492 6.887 7.614 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.358 4.851 8.678 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.706 4.562 8.169 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.575 6.899 9.721 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.618 6.245 11.849 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.822 6.498 10.563 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.369 4.846 11.046 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -2.320 5.480 11.285 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -2.922 4.030 10.446 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -1.863 5.178 9.592 1.00 0.00 H new ATOM 569 N ALA A 39 -2.304 7.032 6.856 1.00 0.00 N ATOM 570 CA ALA A 39 -1.167 7.934 6.772 1.00 0.00 C ATOM 571 C ALA A 39 -1.547 9.149 5.924 1.00 0.00 C ATOM 572 O ALA A 39 -1.594 10.271 6.425 1.00 0.00 O ATOM 573 CB ALA A 39 0.040 7.182 6.208 1.00 0.00 C ATOM 0 H ALA A 39 -2.136 6.098 6.483 1.00 0.00 H new ATOM 0 HA ALA A 39 -0.891 8.297 7.762 1.00 0.00 H new ATOM 0 HB1 ALA A 39 0.893 7.858 6.145 1.00 0.00 H new ATOM 0 HB2 ALA A 39 0.287 6.347 6.863 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.198 6.805 5.214 1.00 0.00 H new ATOM 579 N GLY A 40 -1.809 8.884 4.652 1.00 0.00 N ATOM 580 CA GLY A 40 -2.183 9.941 3.729 1.00 0.00 C ATOM 581 C GLY A 40 -3.370 10.744 4.266 1.00 0.00 C ATOM 582 O GLY A 40 -3.198 11.854 4.767 1.00 0.00 O ATOM 0 H GLY A 40 -1.769 7.952 4.239 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.334 10.605 3.567 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.439 9.510 2.761 1.00 0.00 H new ATOM 586 N TYR A 41 -4.548 10.150 4.144 1.00 0.00 N ATOM 587 CA TYR A 41 -5.763 10.796 4.611 1.00 0.00 C ATOM 588 C TYR A 41 -5.540 11.469 5.967 1.00 0.00 C ATOM 589 O TYR A 41 -5.824 12.654 6.130 1.00 0.00 O ATOM 590 CB TYR A 41 -6.798 9.680 4.773 1.00 0.00 C ATOM 591 CG TYR A 41 -7.789 9.578 3.611 1.00 0.00 C ATOM 592 CD1 TYR A 41 -7.461 8.847 2.488 1.00 0.00 C ATOM 593 CD2 TYR A 41 -9.010 10.216 3.688 1.00 0.00 C ATOM 594 CE1 TYR A 41 -8.394 8.750 1.394 1.00 0.00 C ATOM 595 CE2 TYR A 41 -9.943 10.119 2.595 1.00 0.00 C ATOM 596 CZ TYR A 41 -9.588 9.391 1.502 1.00 0.00 C ATOM 597 OH TYR A 41 -10.469 9.300 0.470 1.00 0.00 O ATOM 0 H TYR A 41 -4.687 9.229 3.729 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.083 11.565 3.908 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -6.278 8.728 4.878 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -7.353 9.844 5.697 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.505 8.348 2.429 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -9.266 10.788 4.568 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -8.150 8.181 0.509 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -10.902 10.613 2.642 1.00 0.00 H new ATOM 0 HH TYR A 41 -11.280 9.806 0.686 1.00 0.00 H new ATOM 607 N GLY A 42 -5.034 10.682 6.906 1.00 0.00 N ATOM 608 CA GLY A 42 -4.770 11.187 8.242 1.00 0.00 C ATOM 609 C GLY A 42 -4.018 12.518 8.187 1.00 0.00 C ATOM 610 O GLY A 42 -4.523 13.540 8.649 1.00 0.00 O ATOM 0 H GLY A 42 -4.800 9.699 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -5.710 11.319 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -4.184 10.457 8.801 1.00 0.00 H new ATOM 614 N ALA A 43 -2.823 12.463 7.617 1.00 0.00 N ATOM 615 CA ALA A 43 -1.996 13.652 7.495 1.00 0.00 C ATOM 616 C ALA A 43 -2.804 14.762 6.820 1.00 0.00 C ATOM 617 O ALA A 43 -2.553 15.945 7.049 1.00 0.00 O ATOM 618 CB ALA A 43 -0.719 13.310 6.725 1.00 0.00 C ATOM 0 H ALA A 43 -2.408 11.614 7.234 1.00 0.00 H new ATOM 0 HA ALA A 43 -1.696 14.013 8.479 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.099 14.202 6.634 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.167 12.538 7.261 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.980 12.946 5.731 1.00 0.00 H new ATOM 624 N TYR A 44 -3.758 14.343 6.001 1.00 0.00 N ATOM 625 CA TYR A 44 -4.603 15.287 5.292 1.00 0.00 C ATOM 626 C TYR A 44 -5.554 16.003 6.254 1.00 0.00 C ATOM 627 O TYR A 44 -5.814 17.195 6.102 1.00 0.00 O ATOM 628 CB TYR A 44 -5.426 14.456 4.305 1.00 0.00 C ATOM 629 CG TYR A 44 -5.627 15.126 2.944 1.00 0.00 C ATOM 630 CD1 TYR A 44 -6.496 16.190 2.819 1.00 0.00 C ATOM 631 CD2 TYR A 44 -4.937 14.666 1.840 1.00 0.00 C ATOM 632 CE1 TYR A 44 -6.685 16.820 1.538 1.00 0.00 C ATOM 633 CE2 TYR A 44 -5.126 15.296 0.559 1.00 0.00 C ATOM 634 CZ TYR A 44 -5.990 16.342 0.471 1.00 0.00 C ATOM 635 OH TYR A 44 -6.168 16.937 -0.739 1.00 0.00 O ATOM 0 H TYR A 44 -3.964 13.362 5.813 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.998 16.047 4.797 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.934 13.495 4.156 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -6.402 14.250 4.745 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.035 16.551 3.683 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.256 13.834 1.937 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.363 17.653 1.427 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.593 14.945 -0.313 1.00 0.00 H new ATOM 0 HH TYR A 44 -5.607 16.492 -1.408 1.00 0.00 H new ATOM 645 N ARG A 45 -6.046 15.244 7.222 1.00 0.00 N ATOM 646 CA ARG A 45 -6.962 15.791 8.209 1.00 0.00 C ATOM 647 C ARG A 45 -6.185 16.337 9.408 1.00 0.00 C ATOM 648 O ARG A 45 -6.568 17.351 9.991 1.00 0.00 O ATOM 649 CB ARG A 45 -7.951 14.728 8.691 1.00 0.00 C ATOM 650 CG ARG A 45 -7.217 13.474 9.171 1.00 0.00 C ATOM 651 CD ARG A 45 -8.157 12.556 9.955 1.00 0.00 C ATOM 652 NE ARG A 45 -8.176 11.209 9.341 1.00 0.00 N ATOM 653 CZ ARG A 45 -8.893 10.889 8.255 1.00 0.00 C ATOM 654 NH1 ARG A 45 -9.653 11.816 7.656 1.00 0.00 N ATOM 655 NH2 ARG A 45 -8.849 9.641 7.768 1.00 0.00 N ATOM 0 H ARG A 45 -5.828 14.255 7.344 1.00 0.00 H new ATOM 0 HA ARG A 45 -7.518 16.599 7.734 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.558 15.131 9.502 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -8.633 14.467 7.882 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.809 12.937 8.315 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -6.374 13.760 9.800 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -7.830 12.487 10.993 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -9.163 12.975 9.965 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.608 10.479 9.771 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -9.686 12.766 8.027 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -10.199 11.572 6.829 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -8.270 8.936 8.224 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.394 9.397 6.941 1.00 0.00 H new ATOM 669 N VAL A 46 -5.108 15.642 9.742 1.00 0.00 N ATOM 670 CA VAL A 46 -4.274 16.044 10.862 1.00 0.00 C ATOM 671 C VAL A 46 -2.860 16.340 10.359 1.00 0.00 C ATOM 672 O VAL A 46 -2.683 16.821 9.240 1.00 0.00 O ATOM 673 CB VAL A 46 -4.308 14.971 11.952 1.00 0.00 C ATOM 674 CG1 VAL A 46 -5.745 14.681 12.392 1.00 0.00 C ATOM 675 CG2 VAL A 46 -3.610 13.692 11.485 1.00 0.00 C ATOM 0 H VAL A 46 -4.793 14.802 9.256 1.00 0.00 H new ATOM 0 HA VAL A 46 -4.657 16.959 11.314 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.764 15.354 12.815 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.741 13.915 13.167 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -6.196 15.592 12.785 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.323 14.329 11.538 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -3.649 12.946 12.279 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -4.113 13.306 10.599 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -2.570 13.912 11.244 1.00 0.00 H new ATOM 685 N SER A 47 -1.889 16.041 11.209 1.00 0.00 N ATOM 686 CA SER A 47 -0.496 16.270 10.864 1.00 0.00 C ATOM 687 C SER A 47 0.412 15.724 11.968 1.00 0.00 C ATOM 688 O SER A 47 1.325 14.945 11.698 1.00 0.00 O ATOM 689 CB SER A 47 -0.221 17.758 10.638 1.00 0.00 C ATOM 690 OG SER A 47 0.331 18.008 9.348 1.00 0.00 O ATOM 0 H SER A 47 -2.039 15.642 12.136 1.00 0.00 H new ATOM 0 HA SER A 47 -0.283 15.744 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 47 -1.148 18.319 10.751 1.00 0.00 H new ATOM 0 HB3 SER A 47 0.466 18.120 11.403 1.00 0.00 H new ATOM 0 HG SER A 47 0.491 18.969 9.241 1.00 0.00 H new ATOM 696 N ASN A 48 0.131 16.156 13.189 1.00 0.00 N ATOM 697 CA ASN A 48 0.911 15.721 14.335 1.00 0.00 C ATOM 698 C ASN A 48 2.372 16.131 14.137 1.00 0.00 C ATOM 699 O ASN A 48 2.797 17.177 14.624 1.00 0.00 O ATOM 700 CB ASN A 48 0.864 14.199 14.488 1.00 0.00 C ATOM 701 CG ASN A 48 -0.433 13.756 15.167 1.00 0.00 C ATOM 702 OD1 ASN A 48 -1.526 14.151 14.795 1.00 0.00 O ATOM 703 ND2 ASN A 48 -0.253 12.915 16.181 1.00 0.00 N ATOM 0 H ASN A 48 -0.626 16.803 13.409 1.00 0.00 H new ATOM 0 HA ASN A 48 0.489 16.186 15.226 1.00 0.00 H new ATOM 0 HB2 ASN A 48 0.945 13.729 13.508 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.719 13.862 15.074 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -1.057 12.561 16.699 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.689 12.624 16.441 1.00 0.00 H new ATOM 710 N ASP A 49 3.099 15.285 13.423 1.00 0.00 N ATOM 711 CA ASP A 49 4.503 15.547 13.155 1.00 0.00 C ATOM 712 C ASP A 49 5.009 14.562 12.099 1.00 0.00 C ATOM 713 O ASP A 49 5.707 13.603 12.424 1.00 0.00 O ATOM 714 CB ASP A 49 5.348 15.362 14.417 1.00 0.00 C ATOM 715 CG ASP A 49 6.856 15.270 14.177 1.00 0.00 C ATOM 716 OD1 ASP A 49 7.408 16.354 13.747 1.00 0.00 O ATOM 717 OD2 ASP A 49 7.473 14.216 14.391 1.00 0.00 O ATOM 0 H ASP A 49 2.743 14.418 13.022 1.00 0.00 H new ATOM 0 HA ASP A 49 4.594 16.576 12.807 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.153 16.195 15.092 1.00 0.00 H new ATOM 0 HB3 ASP A 49 5.020 14.456 14.926 1.00 0.00 H new ATOM 780 N VAL A 53 4.151 12.412 2.057 1.00 0.00 N ATOM 781 CA VAL A 53 4.796 11.989 0.825 1.00 0.00 C ATOM 782 C VAL A 53 5.734 10.818 1.123 1.00 0.00 C ATOM 783 O VAL A 53 5.490 9.695 0.684 1.00 0.00 O ATOM 784 CB VAL A 53 5.509 13.176 0.174 1.00 0.00 C ATOM 785 CG1 VAL A 53 6.280 12.736 -1.072 1.00 0.00 C ATOM 786 CG2 VAL A 53 4.520 14.294 -0.159 1.00 0.00 C ATOM 0 HA VAL A 53 4.056 11.638 0.106 1.00 0.00 H new ATOM 0 HB VAL A 53 6.229 13.569 0.892 1.00 0.00 H new ATOM 0 HG11 VAL A 53 6.777 13.599 -1.515 1.00 0.00 H new ATOM 0 HG12 VAL A 53 7.025 11.990 -0.794 1.00 0.00 H new ATOM 0 HG13 VAL A 53 5.587 12.305 -1.795 1.00 0.00 H new ATOM 0 HG21 VAL A 53 5.053 15.125 -0.621 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.765 13.918 -0.850 1.00 0.00 H new ATOM 0 HG23 VAL A 53 4.036 14.636 0.756 1.00 0.00 H new ATOM 796 N LYS A 54 6.789 11.120 1.866 1.00 0.00 N ATOM 797 CA LYS A 54 7.765 10.106 2.227 1.00 0.00 C ATOM 798 C LYS A 54 7.076 9.006 3.037 1.00 0.00 C ATOM 799 O LYS A 54 7.437 7.835 2.934 1.00 0.00 O ATOM 800 CB LYS A 54 8.958 10.741 2.943 1.00 0.00 C ATOM 801 CG LYS A 54 9.925 11.376 1.941 1.00 0.00 C ATOM 802 CD LYS A 54 10.234 12.825 2.320 1.00 0.00 C ATOM 803 CE LYS A 54 11.679 13.187 1.970 1.00 0.00 C ATOM 804 NZ LYS A 54 12.438 13.532 3.193 1.00 0.00 N ATOM 0 H LYS A 54 6.989 12.052 2.228 1.00 0.00 H new ATOM 0 HA LYS A 54 8.173 9.635 1.333 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.605 11.498 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 54 9.480 9.984 3.528 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.850 10.800 1.908 1.00 0.00 H new ATOM 0 HG3 LYS A 54 9.492 11.342 0.941 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.551 13.495 1.798 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.068 12.969 3.388 1.00 0.00 H new ATOM 0 HE2 LYS A 54 12.157 12.349 1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 54 11.692 14.029 1.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 13.416 13.775 2.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 11.990 14.345 3.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 12.441 12.718 3.841 1.00 0.00 H new ATOM 818 N VAL A 55 6.096 9.422 3.826 1.00 0.00 N ATOM 819 CA VAL A 55 5.353 8.487 4.653 1.00 0.00 C ATOM 820 C VAL A 55 5.089 7.207 3.858 1.00 0.00 C ATOM 821 O VAL A 55 5.349 6.106 4.342 1.00 0.00 O ATOM 822 CB VAL A 55 4.071 9.146 5.166 1.00 0.00 C ATOM 823 CG1 VAL A 55 4.311 9.839 6.509 1.00 0.00 C ATOM 824 CG2 VAL A 55 3.508 10.127 4.136 1.00 0.00 C ATOM 0 H VAL A 55 5.799 10.394 3.910 1.00 0.00 H new ATOM 0 HA VAL A 55 5.935 8.210 5.532 1.00 0.00 H new ATOM 0 HB VAL A 55 3.330 8.362 5.321 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.384 10.299 6.852 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.644 9.105 7.243 1.00 0.00 H new ATOM 0 HG13 VAL A 55 5.075 10.607 6.391 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.597 10.581 4.526 1.00 0.00 H new ATOM 0 HG22 VAL A 55 4.244 10.905 3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.281 9.594 3.212 1.00 0.00 H new ATOM 834 N SER A 56 4.577 7.393 2.650 1.00 0.00 N ATOM 835 CA SER A 56 4.276 6.267 1.783 1.00 0.00 C ATOM 836 C SER A 56 5.480 5.326 1.709 1.00 0.00 C ATOM 837 O SER A 56 5.348 4.123 1.930 1.00 0.00 O ATOM 838 CB SER A 56 3.884 6.740 0.382 1.00 0.00 C ATOM 839 OG SER A 56 2.706 6.093 -0.090 1.00 0.00 O ATOM 0 H SER A 56 4.363 8.307 2.251 1.00 0.00 H new ATOM 0 HA SER A 56 3.428 5.728 2.205 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.725 7.818 0.395 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.705 6.547 -0.309 1.00 0.00 H new ATOM 0 HG SER A 56 2.488 6.423 -0.986 1.00 0.00 H new ATOM 845 N LEU A 57 6.628 5.910 1.398 1.00 0.00 N ATOM 846 CA LEU A 57 7.855 5.139 1.292 1.00 0.00 C ATOM 847 C LEU A 57 8.100 4.396 2.606 1.00 0.00 C ATOM 848 O LEU A 57 8.629 3.285 2.606 1.00 0.00 O ATOM 849 CB LEU A 57 9.018 6.039 0.868 1.00 0.00 C ATOM 850 CG LEU A 57 9.813 5.576 -0.355 1.00 0.00 C ATOM 851 CD1 LEU A 57 9.982 6.715 -1.362 1.00 0.00 C ATOM 852 CD2 LEU A 57 11.156 4.974 0.060 1.00 0.00 C ATOM 0 H LEU A 57 6.734 6.908 1.216 1.00 0.00 H new ATOM 0 HA LEU A 57 7.765 4.384 0.511 1.00 0.00 H new ATOM 0 HB2 LEU A 57 8.625 7.035 0.665 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.705 6.132 1.709 1.00 0.00 H new ATOM 0 HG LEU A 57 9.247 4.788 -0.852 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.550 6.359 -2.221 1.00 0.00 H new ATOM 0 HD12 LEU A 57 9.001 7.057 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 57 10.515 7.541 -0.891 1.00 0.00 H new ATOM 0 HD21 LEU A 57 11.701 4.653 -0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 57 11.741 5.723 0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 57 10.985 4.116 0.710 1.00 0.00 H new ATOM 864 N PHE A 58 7.705 5.038 3.695 1.00 0.00 N ATOM 865 CA PHE A 58 7.875 4.452 5.014 1.00 0.00 C ATOM 866 C PHE A 58 6.901 3.291 5.227 1.00 0.00 C ATOM 867 O PHE A 58 7.193 2.360 5.976 1.00 0.00 O ATOM 868 CB PHE A 58 7.573 5.550 6.035 1.00 0.00 C ATOM 869 CG PHE A 58 8.541 5.584 7.218 1.00 0.00 C ATOM 870 CD1 PHE A 58 9.701 6.288 7.128 1.00 0.00 C ATOM 871 CD2 PHE A 58 8.242 4.909 8.361 1.00 0.00 C ATOM 872 CE1 PHE A 58 10.600 6.318 8.227 1.00 0.00 C ATOM 873 CE2 PHE A 58 9.141 4.939 9.459 1.00 0.00 C ATOM 874 CZ PHE A 58 10.301 5.644 9.369 1.00 0.00 C ATOM 0 H PHE A 58 7.267 5.959 3.691 1.00 0.00 H new ATOM 0 HA PHE A 58 8.889 4.066 5.122 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.597 6.516 5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.560 5.412 6.412 1.00 0.00 H new ATOM 0 HD1 PHE A 58 9.939 6.824 6.221 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.321 4.350 8.433 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.522 6.877 8.155 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.904 4.402 10.366 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.984 5.668 10.205 1.00 0.00 H new ATOM 884 N THR A 59 5.762 3.385 4.556 1.00 0.00 N ATOM 885 CA THR A 59 4.743 2.355 4.663 1.00 0.00 C ATOM 886 C THR A 59 5.182 1.091 3.921 1.00 0.00 C ATOM 887 O THR A 59 5.159 -0.003 4.483 1.00 0.00 O ATOM 888 CB THR A 59 3.426 2.937 4.146 1.00 0.00 C ATOM 889 OG1 THR A 59 2.448 2.447 5.059 1.00 0.00 O ATOM 890 CG2 THR A 59 3.011 2.341 2.800 1.00 0.00 C ATOM 0 H THR A 59 5.523 4.159 3.936 1.00 0.00 H new ATOM 0 HA THR A 59 4.596 2.051 5.699 1.00 0.00 H new ATOM 0 HB THR A 59 3.520 4.019 4.050 1.00 0.00 H new ATOM 0 HG1 THR A 59 1.563 2.778 4.799 1.00 0.00 H new ATOM 0 HG21 THR A 59 2.070 2.788 2.479 1.00 0.00 H new ATOM 0 HG22 THR A 59 3.783 2.546 2.058 1.00 0.00 H new ATOM 0 HG23 THR A 59 2.884 1.263 2.903 1.00 0.00 H new ATOM 898 N ALA A 60 5.573 1.284 2.670 1.00 0.00 N ATOM 899 CA ALA A 60 6.016 0.174 1.844 1.00 0.00 C ATOM 900 C ALA A 60 7.234 -0.485 2.496 1.00 0.00 C ATOM 901 O ALA A 60 7.289 -1.708 2.622 1.00 0.00 O ATOM 902 CB ALA A 60 6.312 0.675 0.430 1.00 0.00 C ATOM 0 H ALA A 60 5.592 2.193 2.208 1.00 0.00 H new ATOM 0 HA ALA A 60 5.234 -0.581 1.764 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.644 -0.158 -0.189 1.00 0.00 H new ATOM 0 HB2 ALA A 60 5.408 1.108 0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.095 1.433 0.469 1.00 0.00 H new ATOM 908 N PHE A 61 8.179 0.353 2.893 1.00 0.00 N ATOM 909 CA PHE A 61 9.392 -0.133 3.528 1.00 0.00 C ATOM 910 C PHE A 61 9.065 -0.979 4.760 1.00 0.00 C ATOM 911 O PHE A 61 9.542 -2.105 4.889 1.00 0.00 O ATOM 912 CB PHE A 61 10.192 1.096 3.966 1.00 0.00 C ATOM 913 CG PHE A 61 11.628 0.786 4.391 1.00 0.00 C ATOM 914 CD1 PHE A 61 11.861 0.015 5.487 1.00 0.00 C ATOM 915 CD2 PHE A 61 12.672 1.280 3.673 1.00 0.00 C ATOM 916 CE1 PHE A 61 13.194 -0.274 5.882 1.00 0.00 C ATOM 917 CE2 PHE A 61 14.005 0.991 4.068 1.00 0.00 C ATOM 918 CZ PHE A 61 14.238 0.221 5.164 1.00 0.00 C ATOM 0 H PHE A 61 8.130 1.366 2.787 1.00 0.00 H new ATOM 0 HA PHE A 61 9.952 -0.756 2.831 1.00 0.00 H new ATOM 0 HB2 PHE A 61 10.214 1.813 3.146 1.00 0.00 H new ATOM 0 HB3 PHE A 61 9.674 1.577 4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 61 11.032 -0.378 6.057 1.00 0.00 H new ATOM 0 HD2 PHE A 61 12.487 1.892 2.803 1.00 0.00 H new ATOM 0 HE1 PHE A 61 13.379 -0.887 6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 61 14.834 1.383 3.498 1.00 0.00 H new ATOM 0 HZ PHE A 61 15.252 0.002 5.465 1.00 0.00 H new ATOM 928 N PHE A 62 8.253 -0.403 5.635 1.00 0.00 N ATOM 929 CA PHE A 62 7.856 -1.090 6.852 1.00 0.00 C ATOM 930 C PHE A 62 7.043 -2.347 6.532 1.00 0.00 C ATOM 931 O PHE A 62 7.092 -3.327 7.274 1.00 0.00 O ATOM 932 CB PHE A 62 6.981 -0.120 7.648 1.00 0.00 C ATOM 933 CG PHE A 62 6.817 -0.496 9.122 1.00 0.00 C ATOM 934 CD1 PHE A 62 7.914 -0.740 9.887 1.00 0.00 C ATOM 935 CD2 PHE A 62 5.574 -0.585 9.667 1.00 0.00 C ATOM 936 CE1 PHE A 62 7.762 -1.089 11.255 1.00 0.00 C ATOM 937 CE2 PHE A 62 5.422 -0.934 11.035 1.00 0.00 C ATOM 938 CZ PHE A 62 6.520 -1.178 11.800 1.00 0.00 C ATOM 0 H PHE A 62 7.860 0.532 5.525 1.00 0.00 H new ATOM 0 HA PHE A 62 8.740 -1.394 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 62 7.413 0.879 7.584 1.00 0.00 H new ATOM 0 HB3 PHE A 62 5.996 -0.071 7.184 1.00 0.00 H new ATOM 0 HD1 PHE A 62 8.901 -0.668 9.454 1.00 0.00 H new ATOM 0 HD2 PHE A 62 4.703 -0.390 9.059 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.633 -1.284 11.863 1.00 0.00 H new ATOM 0 HE2 PHE A 62 4.435 -1.006 11.468 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.405 -1.443 12.841 1.00 0.00 H new ATOM 948 N LEU A 63 6.315 -2.276 5.428 1.00 0.00 N ATOM 949 CA LEU A 63 5.493 -3.396 5.001 1.00 0.00 C ATOM 950 C LEU A 63 6.391 -4.601 4.711 1.00 0.00 C ATOM 951 O LEU A 63 6.342 -5.602 5.425 1.00 0.00 O ATOM 952 CB LEU A 63 4.607 -2.991 3.821 1.00 0.00 C ATOM 953 CG LEU A 63 3.098 -3.085 4.052 1.00 0.00 C ATOM 954 CD1 LEU A 63 2.665 -4.536 4.270 1.00 0.00 C ATOM 955 CD2 LEU A 63 2.663 -2.178 5.205 1.00 0.00 C ATOM 0 H LEU A 63 6.277 -1.461 4.816 1.00 0.00 H new ATOM 0 HA LEU A 63 4.809 -3.692 5.797 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.849 -1.964 3.546 1.00 0.00 H new ATOM 0 HB3 LEU A 63 4.864 -3.619 2.967 1.00 0.00 H new ATOM 0 HG LEU A 63 2.592 -2.730 3.154 1.00 0.00 H new ATOM 0 HD11 LEU A 63 1.588 -4.574 4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 63 2.921 -5.128 3.391 1.00 0.00 H new ATOM 0 HD13 LEU A 63 3.177 -4.941 5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 63 1.586 -2.263 5.349 1.00 0.00 H new ATOM 0 HD22 LEU A 63 3.176 -2.479 6.118 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.917 -1.144 4.970 1.00 0.00 H new ATOM 967 N ALA A 64 7.190 -4.465 3.663 1.00 0.00 N ATOM 968 CA ALA A 64 8.097 -5.530 3.270 1.00 0.00 C ATOM 969 C ALA A 64 8.877 -6.008 4.497 1.00 0.00 C ATOM 970 O ALA A 64 8.951 -7.206 4.761 1.00 0.00 O ATOM 971 CB ALA A 64 9.015 -5.032 2.153 1.00 0.00 C ATOM 0 H ALA A 64 7.228 -3.633 3.074 1.00 0.00 H new ATOM 0 HA ALA A 64 7.542 -6.383 2.879 1.00 0.00 H new ATOM 0 HB1 ALA A 64 9.696 -5.831 1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 64 8.414 -4.732 1.295 1.00 0.00 H new ATOM 0 HB3 ALA A 64 9.591 -4.178 2.509 1.00 0.00 H new ATOM 977 N THR A 65 9.439 -5.045 5.213 1.00 0.00 N ATOM 978 CA THR A 65 10.211 -5.352 6.405 1.00 0.00 C ATOM 979 C THR A 65 9.393 -6.224 7.360 1.00 0.00 C ATOM 980 O THR A 65 9.934 -7.119 8.007 1.00 0.00 O ATOM 981 CB THR A 65 10.665 -4.031 7.028 1.00 0.00 C ATOM 982 OG1 THR A 65 11.587 -3.499 6.080 1.00 0.00 O ATOM 983 CG2 THR A 65 11.506 -4.236 8.290 1.00 0.00 C ATOM 0 H THR A 65 9.375 -4.052 4.990 1.00 0.00 H new ATOM 0 HA THR A 65 11.099 -5.935 6.161 1.00 0.00 H new ATOM 0 HB THR A 65 9.792 -3.425 7.269 1.00 0.00 H new ATOM 0 HG1 THR A 65 11.110 -2.921 5.449 1.00 0.00 H new ATOM 0 HG21 THR A 65 11.802 -3.267 8.692 1.00 0.00 H new ATOM 0 HG22 THR A 65 10.919 -4.774 9.035 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.397 -4.814 8.044 1.00 0.00 H new ATOM 991 N ILE A 66 8.102 -5.932 7.417 1.00 0.00 N ATOM 992 CA ILE A 66 7.203 -6.679 8.282 1.00 0.00 C ATOM 993 C ILE A 66 6.947 -8.059 7.674 1.00 0.00 C ATOM 994 O ILE A 66 6.710 -9.025 8.397 1.00 0.00 O ATOM 995 CB ILE A 66 5.927 -5.878 8.548 1.00 0.00 C ATOM 996 CG1 ILE A 66 6.200 -4.714 9.504 1.00 0.00 C ATOM 997 CG2 ILE A 66 4.806 -6.786 9.056 1.00 0.00 C ATOM 998 CD1 ILE A 66 5.092 -3.662 9.416 1.00 0.00 C ATOM 0 H ILE A 66 7.657 -5.189 6.879 1.00 0.00 H new ATOM 0 HA ILE A 66 7.660 -6.840 9.258 1.00 0.00 H new ATOM 0 HB ILE A 66 5.590 -5.448 7.605 1.00 0.00 H new ATOM 0 HG12 ILE A 66 6.272 -5.087 10.526 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.160 -4.258 9.263 1.00 0.00 H new ATOM 0 HG21 ILE A 66 3.910 -6.192 9.237 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.590 -7.550 8.309 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.118 -7.265 9.984 1.00 0.00 H new ATOM 0 HD11 ILE A 66 5.310 -2.846 10.105 1.00 0.00 H new ATOM 0 HD12 ILE A 66 5.039 -3.274 8.399 1.00 0.00 H new ATOM 0 HD13 ILE A 66 4.137 -4.116 9.682 1.00 0.00 H new ATOM 1010 N MET A 67 7.004 -8.108 6.351 1.00 0.00 N ATOM 1011 CA MET A 67 6.782 -9.354 5.638 1.00 0.00 C ATOM 1012 C MET A 67 8.017 -10.254 5.707 1.00 0.00 C ATOM 1013 O MET A 67 7.982 -11.316 6.325 1.00 0.00 O ATOM 1014 CB MET A 67 6.450 -9.053 4.175 1.00 0.00 C ATOM 1015 CG MET A 67 5.841 -10.277 3.488 1.00 0.00 C ATOM 1016 SD MET A 67 5.120 -9.804 1.925 1.00 0.00 S ATOM 1017 CE MET A 67 3.422 -9.572 2.425 1.00 0.00 C ATOM 0 H MET A 67 7.201 -7.304 5.754 1.00 0.00 H new ATOM 0 HA MET A 67 5.949 -9.876 6.109 1.00 0.00 H new ATOM 0 HB2 MET A 67 5.753 -8.217 4.121 1.00 0.00 H new ATOM 0 HB3 MET A 67 7.354 -8.748 3.648 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.608 -11.035 3.329 1.00 0.00 H new ATOM 0 HG3 MET A 67 5.080 -10.723 4.129 1.00 0.00 H new ATOM 0 HE1 MET A 67 2.827 -9.272 1.563 1.00 0.00 H new ATOM 0 HE2 MET A 67 3.031 -10.506 2.829 1.00 0.00 H new ATOM 0 HE3 MET A 67 3.370 -8.797 3.189 1.00 0.00 H new ATOM 1027 N GLY A 68 9.080 -9.795 5.063 1.00 0.00 N ATOM 1028 CA GLY A 68 10.325 -10.545 5.043 1.00 0.00 C ATOM 1029 C GLY A 68 11.522 -9.628 5.303 1.00 0.00 C ATOM 1030 O GLY A 68 11.691 -9.122 6.411 1.00 0.00 O ATOM 0 H GLY A 68 9.105 -8.913 4.551 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.293 -11.330 5.799 1.00 0.00 H new ATOM 0 HA3 GLY A 68 10.442 -11.037 4.077 1.00 0.00 H new ATOM 1231 N PRO A 79 7.516 -10.863 -3.430 1.00 0.00 N ATOM 1232 CA PRO A 79 6.582 -9.788 -3.144 1.00 0.00 C ATOM 1233 C PRO A 79 6.772 -8.622 -4.117 1.00 0.00 C ATOM 1234 O PRO A 79 6.965 -7.483 -3.696 1.00 0.00 O ATOM 1235 CB PRO A 79 6.853 -9.405 -1.698 1.00 0.00 C ATOM 1236 CG PRO A 79 8.233 -9.954 -1.374 1.00 0.00 C ATOM 1237 CD PRO A 79 8.614 -10.935 -2.470 1.00 0.00 C ATOM 0 HA PRO A 79 5.542 -10.089 -3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.822 -8.323 -1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.099 -9.827 -1.034 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.961 -9.145 -1.316 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.228 -10.449 -0.403 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.563 -10.663 -2.932 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.729 -11.944 -2.075 1.00 0.00 H new ATOM 1245 N ALA A 80 6.710 -8.948 -5.399 1.00 0.00 N ATOM 1246 CA ALA A 80 6.873 -7.942 -6.436 1.00 0.00 C ATOM 1247 C ALA A 80 5.646 -7.029 -6.451 1.00 0.00 C ATOM 1248 O ALA A 80 5.774 -5.809 -6.355 1.00 0.00 O ATOM 1249 CB ALA A 80 7.104 -8.630 -7.783 1.00 0.00 C ATOM 0 H ALA A 80 6.549 -9.894 -5.744 1.00 0.00 H new ATOM 0 HA ALA A 80 7.745 -7.320 -6.234 1.00 0.00 H new ATOM 0 HB1 ALA A 80 7.226 -7.876 -8.561 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.003 -9.244 -7.729 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.248 -9.261 -8.021 1.00 0.00 H new ATOM 1255 N GLY A 81 4.483 -7.653 -6.572 1.00 0.00 N ATOM 1256 CA GLY A 81 3.234 -6.911 -6.601 1.00 0.00 C ATOM 1257 C GLY A 81 3.271 -5.738 -5.619 1.00 0.00 C ATOM 1258 O GLY A 81 2.962 -4.606 -5.988 1.00 0.00 O ATOM 0 H GLY A 81 4.380 -8.665 -6.651 1.00 0.00 H new ATOM 0 HA2 GLY A 81 3.050 -6.540 -7.609 1.00 0.00 H new ATOM 0 HA3 GLY A 81 2.407 -7.575 -6.350 1.00 0.00 H new ATOM 1262 N LEU A 82 3.650 -6.049 -4.389 1.00 0.00 N ATOM 1263 CA LEU A 82 3.731 -5.035 -3.351 1.00 0.00 C ATOM 1264 C LEU A 82 4.424 -3.792 -3.913 1.00 0.00 C ATOM 1265 O LEU A 82 3.882 -2.690 -3.845 1.00 0.00 O ATOM 1266 CB LEU A 82 4.403 -5.601 -2.099 1.00 0.00 C ATOM 1267 CG LEU A 82 3.594 -5.506 -0.803 1.00 0.00 C ATOM 1268 CD1 LEU A 82 3.492 -6.871 -0.120 1.00 0.00 C ATOM 1269 CD2 LEU A 82 4.176 -4.441 0.129 1.00 0.00 C ATOM 0 H LEU A 82 3.905 -6.989 -4.087 1.00 0.00 H new ATOM 0 HA LEU A 82 2.733 -4.730 -3.037 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.640 -6.649 -2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 82 5.350 -5.081 -1.952 1.00 0.00 H new ATOM 0 HG LEU A 82 2.580 -5.195 -1.054 1.00 0.00 H new ATOM 0 HD11 LEU A 82 2.912 -6.776 0.798 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.999 -7.577 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 82 4.492 -7.234 0.118 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.583 -4.394 1.042 1.00 0.00 H new ATOM 0 HD22 LEU A 82 5.206 -4.698 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 82 4.155 -3.471 -0.368 1.00 0.00 H new ATOM 1281 N VAL A 83 5.613 -4.011 -4.454 1.00 0.00 N ATOM 1282 CA VAL A 83 6.387 -2.922 -5.027 1.00 0.00 C ATOM 1283 C VAL A 83 5.562 -2.235 -6.117 1.00 0.00 C ATOM 1284 O VAL A 83 5.593 -1.012 -6.246 1.00 0.00 O ATOM 1285 CB VAL A 83 7.732 -3.446 -5.535 1.00 0.00 C ATOM 1286 CG1 VAL A 83 8.549 -2.325 -6.180 1.00 0.00 C ATOM 1287 CG2 VAL A 83 8.518 -4.120 -4.409 1.00 0.00 C ATOM 0 H VAL A 83 6.060 -4.926 -4.508 1.00 0.00 H new ATOM 0 HA VAL A 83 6.612 -2.172 -4.268 1.00 0.00 H new ATOM 0 HB VAL A 83 7.532 -4.197 -6.300 1.00 0.00 H new ATOM 0 HG11 VAL A 83 9.500 -2.724 -6.532 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.995 -1.910 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 83 8.734 -1.541 -5.446 1.00 0.00 H new ATOM 0 HG21 VAL A 83 9.470 -4.484 -4.797 1.00 0.00 H new ATOM 0 HG22 VAL A 83 8.702 -3.400 -3.612 1.00 0.00 H new ATOM 0 HG23 VAL A 83 7.943 -4.958 -4.015 1.00 0.00 H new ATOM 1297 N ALA A 84 4.845 -3.051 -6.875 1.00 0.00 N ATOM 1298 CA ALA A 84 4.013 -2.537 -7.950 1.00 0.00 C ATOM 1299 C ALA A 84 2.925 -1.638 -7.361 1.00 0.00 C ATOM 1300 O ALA A 84 2.472 -0.697 -8.013 1.00 0.00 O ATOM 1301 CB ALA A 84 3.435 -3.705 -8.751 1.00 0.00 C ATOM 0 H ALA A 84 4.823 -4.065 -6.766 1.00 0.00 H new ATOM 0 HA ALA A 84 4.604 -1.932 -8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.811 -3.320 -9.557 1.00 0.00 H new ATOM 0 HB2 ALA A 84 4.249 -4.295 -9.172 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.833 -4.334 -8.095 1.00 0.00 H new ATOM 1307 N GLY A 85 2.535 -1.958 -6.136 1.00 0.00 N ATOM 1308 CA GLY A 85 1.508 -1.191 -5.453 1.00 0.00 C ATOM 1309 C GLY A 85 2.040 0.178 -5.025 1.00 0.00 C ATOM 1310 O GLY A 85 1.481 1.209 -5.396 1.00 0.00 O ATOM 0 H GLY A 85 2.912 -2.739 -5.599 1.00 0.00 H new ATOM 0 HA2 GLY A 85 0.648 -1.062 -6.110 1.00 0.00 H new ATOM 0 HA3 GLY A 85 1.161 -1.740 -4.578 1.00 0.00 H new ATOM 1314 N LEU A 86 3.114 0.145 -4.250 1.00 0.00 N ATOM 1315 CA LEU A 86 3.728 1.370 -3.768 1.00 0.00 C ATOM 1316 C LEU A 86 3.940 2.326 -4.943 1.00 0.00 C ATOM 1317 O LEU A 86 3.621 3.511 -4.850 1.00 0.00 O ATOM 1318 CB LEU A 86 5.008 1.058 -2.990 1.00 0.00 C ATOM 1319 CG LEU A 86 6.050 2.178 -2.936 1.00 0.00 C ATOM 1320 CD1 LEU A 86 5.653 3.246 -1.915 1.00 0.00 C ATOM 1321 CD2 LEU A 86 7.446 1.615 -2.664 1.00 0.00 C ATOM 0 H LEU A 86 3.575 -0.712 -3.944 1.00 0.00 H new ATOM 0 HA LEU A 86 3.068 1.874 -3.062 1.00 0.00 H new ATOM 0 HB2 LEU A 86 4.734 0.794 -1.969 1.00 0.00 H new ATOM 0 HB3 LEU A 86 5.473 0.177 -3.433 1.00 0.00 H new ATOM 0 HG LEU A 86 6.083 2.662 -3.912 1.00 0.00 H new ATOM 0 HD11 LEU A 86 6.410 4.030 -1.896 1.00 0.00 H new ATOM 0 HD12 LEU A 86 4.691 3.676 -2.194 1.00 0.00 H new ATOM 0 HD13 LEU A 86 5.575 2.793 -0.927 1.00 0.00 H new ATOM 0 HD21 LEU A 86 8.167 2.431 -2.631 1.00 0.00 H new ATOM 0 HD22 LEU A 86 7.447 1.091 -1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 86 7.720 0.921 -3.459 1.00 0.00 H new ATOM 1333 N SER A 87 4.476 1.776 -6.023 1.00 0.00 N ATOM 1334 CA SER A 87 4.734 2.565 -7.215 1.00 0.00 C ATOM 1335 C SER A 87 3.430 3.178 -7.730 1.00 0.00 C ATOM 1336 O SER A 87 3.302 4.399 -7.806 1.00 0.00 O ATOM 1337 CB SER A 87 5.389 1.716 -8.307 1.00 0.00 C ATOM 1338 OG SER A 87 6.366 2.450 -9.040 1.00 0.00 O ATOM 0 H SER A 87 4.739 0.793 -6.097 1.00 0.00 H new ATOM 0 HA SER A 87 5.425 3.366 -6.952 1.00 0.00 H new ATOM 0 HB2 SER A 87 5.857 0.842 -7.855 1.00 0.00 H new ATOM 0 HB3 SER A 87 4.623 1.350 -8.990 1.00 0.00 H new ATOM 0 HG SER A 87 6.762 1.873 -9.726 1.00 0.00 H new ATOM 1344 N LEU A 88 2.496 2.302 -8.070 1.00 0.00 N ATOM 1345 CA LEU A 88 1.206 2.741 -8.575 1.00 0.00 C ATOM 1346 C LEU A 88 0.702 3.910 -7.726 1.00 0.00 C ATOM 1347 O LEU A 88 0.132 4.864 -8.253 1.00 0.00 O ATOM 1348 CB LEU A 88 0.230 1.566 -8.645 1.00 0.00 C ATOM 1349 CG LEU A 88 -0.586 1.448 -9.934 1.00 0.00 C ATOM 1350 CD1 LEU A 88 -1.442 2.696 -10.157 1.00 0.00 C ATOM 1351 CD2 LEU A 88 0.319 1.151 -11.130 1.00 0.00 C ATOM 0 H LEU A 88 2.607 1.290 -8.006 1.00 0.00 H new ATOM 0 HA LEU A 88 1.301 3.107 -9.597 1.00 0.00 H new ATOM 0 HB2 LEU A 88 0.793 0.643 -8.509 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.462 1.644 -7.806 1.00 0.00 H new ATOM 0 HG LEU A 88 -1.269 0.605 -9.831 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -2.012 2.586 -11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -2.128 2.821 -9.319 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -0.797 3.571 -10.231 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -0.286 1.072 -12.033 1.00 0.00 H new ATOM 0 HD22 LEU A 88 1.043 1.957 -11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 88 0.846 0.212 -10.963 1.00 0.00 H new ATOM 1363 N MET A 89 0.931 3.798 -6.426 1.00 0.00 N ATOM 1364 CA MET A 89 0.508 4.833 -5.499 1.00 0.00 C ATOM 1365 C MET A 89 1.219 6.156 -5.792 1.00 0.00 C ATOM 1366 O MET A 89 0.573 7.193 -5.936 1.00 0.00 O ATOM 1367 CB MET A 89 0.817 4.394 -4.066 1.00 0.00 C ATOM 1368 CG MET A 89 -0.263 4.882 -3.098 1.00 0.00 C ATOM 1369 SD MET A 89 -1.745 3.906 -3.294 1.00 0.00 S ATOM 1370 CE MET A 89 -2.869 5.163 -3.880 1.00 0.00 C ATOM 0 H MET A 89 1.405 3.005 -5.993 1.00 0.00 H new ATOM 0 HA MET A 89 -0.565 4.984 -5.619 1.00 0.00 H new ATOM 0 HB2 MET A 89 0.886 3.307 -4.022 1.00 0.00 H new ATOM 0 HB3 MET A 89 1.787 4.787 -3.762 1.00 0.00 H new ATOM 0 HG2 MET A 89 0.097 4.809 -2.072 1.00 0.00 H new ATOM 0 HG3 MET A 89 -0.483 5.933 -3.285 1.00 0.00 H new ATOM 0 HE1 MET A 89 -3.676 4.695 -4.444 1.00 0.00 H new ATOM 0 HE2 MET A 89 -3.286 5.703 -3.030 1.00 0.00 H new ATOM 0 HE3 MET A 89 -2.332 5.859 -4.525 1.00 0.00 H new ATOM 1380 N MET A 90 2.539 6.076 -5.872 1.00 0.00 N ATOM 1381 CA MET A 90 3.344 7.254 -6.145 1.00 0.00 C ATOM 1382 C MET A 90 2.867 7.962 -7.415 1.00 0.00 C ATOM 1383 O MET A 90 2.569 9.155 -7.390 1.00 0.00 O ATOM 1384 CB MET A 90 4.809 6.844 -6.309 1.00 0.00 C ATOM 1385 CG MET A 90 5.680 7.475 -5.221 1.00 0.00 C ATOM 1386 SD MET A 90 7.231 8.018 -5.919 1.00 0.00 S ATOM 1387 CE MET A 90 8.366 7.029 -4.961 1.00 0.00 C ATOM 0 H MET A 90 3.071 5.214 -5.753 1.00 0.00 H new ATOM 0 HA MET A 90 3.242 7.943 -5.307 1.00 0.00 H new ATOM 0 HB2 MET A 90 4.894 5.758 -6.264 1.00 0.00 H new ATOM 0 HB3 MET A 90 5.168 7.151 -7.291 1.00 0.00 H new ATOM 0 HG2 MET A 90 5.159 8.320 -4.771 1.00 0.00 H new ATOM 0 HG3 MET A 90 5.863 6.753 -4.425 1.00 0.00 H new ATOM 0 HE1 MET A 90 9.388 7.245 -5.271 1.00 0.00 H new ATOM 0 HE2 MET A 90 8.250 7.264 -3.903 1.00 0.00 H new ATOM 0 HE3 MET A 90 8.154 5.972 -5.123 1.00 0.00 H new ATOM 1397 N ILE A 91 2.809 7.197 -8.495 1.00 0.00 N ATOM 1398 CA ILE A 91 2.373 7.736 -9.772 1.00 0.00 C ATOM 1399 C ILE A 91 1.049 8.478 -9.582 1.00 0.00 C ATOM 1400 O ILE A 91 0.940 9.657 -9.915 1.00 0.00 O ATOM 1401 CB ILE A 91 2.313 6.630 -10.828 1.00 0.00 C ATOM 1402 CG1 ILE A 91 3.702 6.043 -11.087 1.00 0.00 C ATOM 1403 CG2 ILE A 91 1.655 7.135 -12.114 1.00 0.00 C ATOM 1404 CD1 ILE A 91 4.652 7.106 -11.640 1.00 0.00 C ATOM 0 H ILE A 91 3.057 6.208 -8.512 1.00 0.00 H new ATOM 0 HA ILE A 91 3.095 8.462 -10.146 1.00 0.00 H new ATOM 0 HB ILE A 91 1.690 5.823 -10.443 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.107 5.635 -10.161 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.625 5.216 -11.793 1.00 0.00 H new ATOM 0 HG21 ILE A 91 1.625 6.330 -12.848 1.00 0.00 H new ATOM 0 HG22 ILE A 91 0.640 7.466 -11.897 1.00 0.00 H new ATOM 0 HG23 ILE A 91 2.231 7.969 -12.514 1.00 0.00 H new ATOM 0 HD11 ILE A 91 5.632 6.662 -11.815 1.00 0.00 H new ATOM 0 HD12 ILE A 91 4.257 7.495 -12.578 1.00 0.00 H new ATOM 0 HD13 ILE A 91 4.745 7.920 -10.921 1.00 0.00 H new ATOM 1416 N LEU A 92 0.075 7.756 -9.047 1.00 0.00 N ATOM 1417 CA LEU A 92 -1.238 8.332 -8.808 1.00 0.00 C ATOM 1418 C LEU A 92 -1.089 9.603 -7.970 1.00 0.00 C ATOM 1419 O LEU A 92 -1.894 10.525 -8.086 1.00 0.00 O ATOM 1420 CB LEU A 92 -2.174 7.292 -8.188 1.00 0.00 C ATOM 1421 CG LEU A 92 -3.640 7.366 -8.621 1.00 0.00 C ATOM 1422 CD1 LEU A 92 -4.143 8.810 -8.608 1.00 0.00 C ATOM 1423 CD2 LEU A 92 -3.843 6.700 -9.983 1.00 0.00 C ATOM 0 H LEU A 92 0.169 6.778 -8.772 1.00 0.00 H new ATOM 0 HA LEU A 92 -1.703 8.624 -9.750 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -1.794 6.300 -8.431 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -2.130 7.394 -7.104 1.00 0.00 H new ATOM 0 HG LEU A 92 -4.238 6.811 -7.899 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.187 8.834 -8.920 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -4.055 9.217 -7.601 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -3.545 9.410 -9.295 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -4.893 6.766 -10.268 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -3.232 7.206 -10.730 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.549 5.652 -9.923 1.00 0.00 H new ATOM 1435 N ARG A 93 -0.053 9.610 -7.144 1.00 0.00 N ATOM 1436 CA ARG A 93 0.212 10.753 -6.286 1.00 0.00 C ATOM 1437 C ARG A 93 0.705 11.938 -7.118 1.00 0.00 C ATOM 1438 O ARG A 93 0.385 13.087 -6.819 1.00 0.00 O ATOM 1439 CB ARG A 93 1.260 10.413 -5.224 1.00 0.00 C ATOM 1440 CG ARG A 93 0.902 11.046 -3.878 1.00 0.00 C ATOM 1441 CD ARG A 93 -0.154 10.215 -3.145 1.00 0.00 C ATOM 1442 NE ARG A 93 0.402 9.697 -1.875 1.00 0.00 N ATOM 1443 CZ ARG A 93 -0.210 8.790 -1.102 1.00 0.00 C ATOM 1444 NH1 ARG A 93 -1.402 8.296 -1.464 1.00 0.00 N ATOM 1445 NH2 ARG A 93 0.369 8.378 0.034 1.00 0.00 N ATOM 0 H ARG A 93 0.613 8.843 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.721 11.017 -5.788 1.00 0.00 H new ATOM 0 HB2 ARG A 93 1.333 9.331 -5.113 1.00 0.00 H new ATOM 0 HB3 ARG A 93 2.239 10.767 -5.547 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.797 11.129 -3.261 1.00 0.00 H new ATOM 0 HG3 ARG A 93 0.529 12.058 -4.036 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -1.034 10.826 -2.944 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.478 9.386 -3.775 1.00 0.00 H new ATOM 0 HE ARG A 93 1.308 10.053 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.843 8.611 -2.328 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.868 7.605 -0.875 1.00 0.00 H new ATOM 0 HH21 ARG A 93 1.276 8.755 0.310 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -0.097 7.687 0.623 1.00 0.00 H new ATOM 1459 N LEU A 94 1.477 11.617 -8.147 1.00 0.00 N ATOM 1460 CA LEU A 94 2.017 12.641 -9.025 1.00 0.00 C ATOM 1461 C LEU A 94 0.877 13.527 -9.531 1.00 0.00 C ATOM 1462 O LEU A 94 0.767 14.688 -9.141 1.00 0.00 O ATOM 1463 CB LEU A 94 2.846 12.006 -10.143 1.00 0.00 C ATOM 1464 CG LEU A 94 3.783 12.948 -10.901 1.00 0.00 C ATOM 1465 CD1 LEU A 94 5.241 12.505 -10.756 1.00 0.00 C ATOM 1466 CD2 LEU A 94 3.366 13.073 -12.368 1.00 0.00 C ATOM 0 H LEU A 94 1.741 10.663 -8.392 1.00 0.00 H new ATOM 0 HA LEU A 94 2.704 13.287 -8.479 1.00 0.00 H new ATOM 0 HB2 LEU A 94 3.442 11.201 -9.714 1.00 0.00 H new ATOM 0 HB3 LEU A 94 2.163 11.550 -10.860 1.00 0.00 H new ATOM 0 HG LEU A 94 3.702 13.940 -10.457 1.00 0.00 H new ATOM 0 HD11 LEU A 94 5.886 13.192 -11.304 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.519 12.509 -9.702 1.00 0.00 H new ATOM 0 HD13 LEU A 94 5.357 11.499 -11.158 1.00 0.00 H new ATOM 0 HD21 LEU A 94 4.049 13.748 -12.884 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.400 12.091 -12.841 1.00 0.00 H new ATOM 0 HD23 LEU A 94 2.352 13.468 -12.426 1.00 0.00 H new ATOM 1478 N VAL A 95 0.057 12.944 -10.393 1.00 0.00 N ATOM 1479 CA VAL A 95 -1.072 13.665 -10.957 1.00 0.00 C ATOM 1480 C VAL A 95 -1.899 14.276 -9.824 1.00 0.00 C ATOM 1481 O VAL A 95 -2.254 15.453 -9.875 1.00 0.00 O ATOM 1482 CB VAL A 95 -1.887 12.738 -11.860 1.00 0.00 C ATOM 1483 CG1 VAL A 95 -3.215 13.386 -12.256 1.00 0.00 C ATOM 1484 CG2 VAL A 95 -1.085 12.333 -13.098 1.00 0.00 C ATOM 0 H VAL A 95 0.152 11.981 -10.715 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.726 14.486 -11.585 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.111 11.833 -11.295 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.775 12.706 -12.898 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.797 13.600 -11.360 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.021 14.314 -12.793 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.688 11.674 -13.723 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.816 13.224 -13.665 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.179 11.812 -12.790 1.00 0.00 H new ATOM 1494 N LEU A 96 -2.182 13.449 -8.829 1.00 0.00 N ATOM 1495 CA LEU A 96 -2.961 13.892 -7.686 1.00 0.00 C ATOM 1496 C LEU A 96 -2.523 15.304 -7.292 1.00 0.00 C ATOM 1497 O LEU A 96 -3.341 16.116 -6.863 1.00 0.00 O ATOM 1498 CB LEU A 96 -2.864 12.878 -6.545 1.00 0.00 C ATOM 1499 CG LEU A 96 -4.082 11.974 -6.346 1.00 0.00 C ATOM 1500 CD1 LEU A 96 -3.788 10.875 -5.322 1.00 0.00 C ATOM 1501 CD2 LEU A 96 -5.318 12.793 -5.968 1.00 0.00 C ATOM 0 H LEU A 96 -1.885 12.474 -8.791 1.00 0.00 H new ATOM 0 HA LEU A 96 -4.019 13.946 -7.944 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -1.993 12.247 -6.719 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -2.684 13.421 -5.617 1.00 0.00 H new ATOM 0 HG LEU A 96 -4.300 11.482 -7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -4.670 10.247 -5.199 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -2.954 10.266 -5.671 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -3.530 11.329 -4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -6.169 12.126 -5.833 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -5.128 13.331 -5.040 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -5.539 13.506 -6.762 1.00 0.00 H new ATOM 1513 N LEU A 97 -1.232 15.555 -7.453 1.00 0.00 N ATOM 1514 CA LEU A 97 -0.674 16.855 -7.120 1.00 0.00 C ATOM 1515 C LEU A 97 -1.532 17.951 -7.755 1.00 0.00 C ATOM 1516 O LEU A 97 -1.915 18.909 -7.086 1.00 0.00 O ATOM 1517 CB LEU A 97 0.802 16.922 -7.516 1.00 0.00 C ATOM 1518 CG LEU A 97 1.659 17.927 -6.744 1.00 0.00 C ATOM 1519 CD1 LEU A 97 2.874 17.243 -6.115 1.00 0.00 C ATOM 1520 CD2 LEU A 97 2.061 19.104 -7.636 1.00 0.00 C ATOM 0 H LEU A 97 -0.556 14.880 -7.810 1.00 0.00 H new ATOM 0 HA LEU A 97 -0.698 17.015 -6.042 1.00 0.00 H new ATOM 0 HB2 LEU A 97 1.237 15.931 -7.389 1.00 0.00 H new ATOM 0 HB3 LEU A 97 0.862 17.163 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 97 1.060 18.331 -5.928 1.00 0.00 H new ATOM 0 HD11 LEU A 97 3.466 17.980 -5.572 1.00 0.00 H new ATOM 0 HD12 LEU A 97 2.539 16.468 -5.426 1.00 0.00 H new ATOM 0 HD13 LEU A 97 3.484 16.793 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 97 2.669 19.804 -7.063 1.00 0.00 H new ATOM 0 HD22 LEU A 97 2.635 18.736 -8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 97 1.165 19.611 -7.994 1.00 0.00 H new ATOM 1532 N LEU A 98 -1.808 17.772 -9.039 1.00 0.00 N ATOM 1533 CA LEU A 98 -2.614 18.734 -9.771 1.00 0.00 C ATOM 1534 C LEU A 98 -3.970 18.888 -9.081 1.00 0.00 C ATOM 1535 O LEU A 98 -4.421 20.006 -8.833 1.00 0.00 O ATOM 1536 CB LEU A 98 -2.716 18.335 -11.245 1.00 0.00 C ATOM 1537 CG LEU A 98 -2.601 19.476 -12.258 1.00 0.00 C ATOM 1538 CD1 LEU A 98 -2.017 18.978 -13.581 1.00 0.00 C ATOM 1539 CD2 LEU A 98 -3.949 20.174 -12.453 1.00 0.00 C ATOM 0 H LEU A 98 -1.488 16.976 -9.590 1.00 0.00 H new ATOM 0 HA LEU A 98 -2.138 19.715 -9.761 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -1.934 17.606 -11.458 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.671 17.833 -11.400 1.00 0.00 H new ATOM 0 HG LEU A 98 -1.909 20.218 -11.860 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -1.946 19.809 -14.283 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -1.024 18.564 -13.407 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.664 18.206 -13.997 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.839 20.981 -13.178 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -4.682 19.455 -12.819 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -4.287 20.584 -11.502 1.00 0.00 H new ATOM 1551 N LEU A 99 -4.583 17.750 -8.789 1.00 0.00 N ATOM 1552 CA LEU A 99 -5.879 17.745 -8.132 1.00 0.00 C ATOM 1553 C LEU A 99 -5.863 18.747 -6.976 1.00 0.00 C ATOM 1554 O LEU A 99 -6.640 19.700 -6.966 1.00 0.00 O ATOM 1555 CB LEU A 99 -6.259 16.324 -7.709 1.00 0.00 C ATOM 1556 CG LEU A 99 -7.492 15.729 -8.393 1.00 0.00 C ATOM 1557 CD1 LEU A 99 -7.108 15.017 -9.692 1.00 0.00 C ATOM 1558 CD2 LEU A 99 -8.257 14.809 -7.440 1.00 0.00 C ATOM 0 H LEU A 99 -4.206 16.825 -8.995 1.00 0.00 H new ATOM 0 HA LEU A 99 -6.658 18.067 -8.823 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -5.409 15.669 -7.902 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -6.427 16.319 -6.632 1.00 0.00 H new ATOM 0 HG LEU A 99 -8.163 16.546 -8.659 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -8.002 14.603 -10.158 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.640 15.729 -10.372 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -6.408 14.211 -9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -9.128 14.399 -7.951 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -7.607 13.994 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -8.581 15.377 -6.568 1.00 0.00 H new