USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 556 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 10 TYR OH : rot 90:sc= -0.377 USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -0.147 X(o=-0.15,f=-0.0062) USER MOD Single : A 51 THR OG1 : rot 114:sc= 1.19 USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc=-0.00458 F(o=-1.2,f=-0.0046) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 130 N LEU A 9 -1.811 -24.366 -3.017 1.00 0.00 N ATOM 131 CA LEU A 9 -2.574 -23.335 -3.699 1.00 0.00 C ATOM 132 C LEU A 9 -2.406 -22.007 -2.956 1.00 0.00 C ATOM 133 O LEU A 9 -1.850 -21.054 -3.499 1.00 0.00 O ATOM 134 CB LEU A 9 -4.032 -23.767 -3.865 1.00 0.00 C ATOM 135 CG LEU A 9 -4.817 -23.067 -4.976 1.00 0.00 C ATOM 136 CD1 LEU A 9 -5.586 -24.080 -5.826 1.00 0.00 C ATOM 137 CD2 LEU A 9 -5.735 -21.986 -4.402 1.00 0.00 C ATOM 0 HA LEU A 9 -2.194 -23.186 -4.710 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.053 -24.840 -4.054 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.550 -23.599 -2.921 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.106 -22.568 -5.634 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.135 -23.556 -6.608 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.885 -24.780 -6.281 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -6.286 -24.627 -5.195 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.281 -21.504 -5.213 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.442 -22.440 -3.708 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.137 -21.242 -3.876 1.00 0.00 H new ATOM 149 N TYR A 10 -2.898 -21.989 -1.727 1.00 0.00 N ATOM 150 CA TYR A 10 -2.811 -20.794 -0.904 1.00 0.00 C ATOM 151 C TYR A 10 -1.476 -20.078 -1.117 1.00 0.00 C ATOM 152 O TYR A 10 -1.406 -18.852 -1.049 1.00 0.00 O ATOM 153 CB TYR A 10 -2.892 -21.274 0.547 1.00 0.00 C ATOM 154 CG TYR A 10 -2.572 -20.192 1.579 1.00 0.00 C ATOM 155 CD1 TYR A 10 -1.281 -19.720 1.706 1.00 0.00 C ATOM 156 CD2 TYR A 10 -3.573 -19.688 2.384 1.00 0.00 C ATOM 157 CE1 TYR A 10 -0.979 -18.702 2.678 1.00 0.00 C ATOM 158 CE2 TYR A 10 -3.271 -18.669 3.356 1.00 0.00 C ATOM 159 CZ TYR A 10 -1.990 -18.226 3.455 1.00 0.00 C ATOM 160 OH TYR A 10 -1.705 -17.264 4.373 1.00 0.00 O ATOM 0 H TYR A 10 -3.358 -22.782 -1.280 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.607 -20.094 -1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -3.895 -21.657 0.737 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -2.202 -22.106 0.683 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.497 -20.115 1.076 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -4.583 -20.058 2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 10 0.027 -18.325 2.788 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -4.045 -18.266 3.992 1.00 0.00 H new ATOM 0 HH TYR A 10 -1.812 -16.380 3.964 1.00 0.00 H new ATOM 170 N MET A 11 -0.448 -20.875 -1.370 1.00 0.00 N ATOM 171 CA MET A 11 0.882 -20.333 -1.595 1.00 0.00 C ATOM 172 C MET A 11 0.948 -19.574 -2.921 1.00 0.00 C ATOM 173 O MET A 11 1.322 -18.402 -2.952 1.00 0.00 O ATOM 174 CB MET A 11 1.903 -21.472 -1.607 1.00 0.00 C ATOM 175 CG MET A 11 3.314 -20.941 -1.868 1.00 0.00 C ATOM 176 SD MET A 11 4.329 -22.227 -2.577 1.00 0.00 S ATOM 177 CE MET A 11 5.502 -22.463 -1.253 1.00 0.00 C ATOM 0 H MET A 11 -0.509 -21.892 -1.424 1.00 0.00 H new ATOM 0 HA MET A 11 1.111 -19.637 -0.788 1.00 0.00 H new ATOM 0 HB2 MET A 11 1.879 -21.997 -0.652 1.00 0.00 H new ATOM 0 HB3 MET A 11 1.635 -22.197 -2.376 1.00 0.00 H new ATOM 0 HG2 MET A 11 3.271 -20.087 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 11 3.757 -20.589 -0.936 1.00 0.00 H new ATOM 0 HE1 MET A 11 6.215 -23.239 -1.532 1.00 0.00 H new ATOM 0 HE2 MET A 11 6.035 -21.530 -1.068 1.00 0.00 H new ATOM 0 HE3 MET A 11 4.974 -22.764 -0.348 1.00 0.00 H new ATOM 187 N ALA A 12 0.580 -20.271 -3.984 1.00 0.00 N ATOM 188 CA ALA A 12 0.593 -19.678 -5.311 1.00 0.00 C ATOM 189 C ALA A 12 -0.276 -18.418 -5.309 1.00 0.00 C ATOM 190 O ALA A 12 0.098 -17.402 -5.893 1.00 0.00 O ATOM 191 CB ALA A 12 0.121 -20.710 -6.337 1.00 0.00 C ATOM 0 H ALA A 12 0.270 -21.242 -3.954 1.00 0.00 H new ATOM 0 HA ALA A 12 1.604 -19.382 -5.589 1.00 0.00 H new ATOM 0 HB1 ALA A 12 0.131 -20.265 -7.332 1.00 0.00 H new ATOM 0 HB2 ALA A 12 0.787 -21.572 -6.319 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -0.892 -21.029 -6.092 1.00 0.00 H new ATOM 197 N ALA A 13 -1.418 -18.526 -4.647 1.00 0.00 N ATOM 198 CA ALA A 13 -2.342 -17.407 -4.562 1.00 0.00 C ATOM 199 C ALA A 13 -1.708 -16.290 -3.732 1.00 0.00 C ATOM 200 O ALA A 13 -1.325 -15.253 -4.272 1.00 0.00 O ATOM 201 CB ALA A 13 -3.670 -17.887 -3.975 1.00 0.00 C ATOM 0 H ALA A 13 -1.725 -19.371 -4.164 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.550 -17.004 -5.553 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.364 -17.049 -3.911 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -4.093 -18.660 -4.617 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.501 -18.295 -2.979 1.00 0.00 H new ATOM 207 N ALA A 14 -1.616 -16.539 -2.434 1.00 0.00 N ATOM 208 CA ALA A 14 -1.036 -15.565 -1.524 1.00 0.00 C ATOM 209 C ALA A 14 0.185 -14.922 -2.185 1.00 0.00 C ATOM 210 O ALA A 14 0.204 -13.715 -2.419 1.00 0.00 O ATOM 211 CB ALA A 14 -0.690 -16.248 -0.199 1.00 0.00 C ATOM 0 H ALA A 14 -1.933 -17.401 -1.990 1.00 0.00 H new ATOM 0 HA ALA A 14 -1.749 -14.771 -1.305 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -0.255 -15.518 0.484 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -1.595 -16.664 0.243 1.00 0.00 H new ATOM 0 HB3 ALA A 14 0.027 -17.049 -0.379 1.00 0.00 H new ATOM 217 N VAL A 15 1.174 -15.756 -2.467 1.00 0.00 N ATOM 218 CA VAL A 15 2.396 -15.284 -3.096 1.00 0.00 C ATOM 219 C VAL A 15 2.045 -14.254 -4.172 1.00 0.00 C ATOM 220 O VAL A 15 2.663 -13.194 -4.247 1.00 0.00 O ATOM 221 CB VAL A 15 3.197 -16.469 -3.641 1.00 0.00 C ATOM 222 CG1 VAL A 15 4.328 -15.993 -4.553 1.00 0.00 C ATOM 223 CG2 VAL A 15 3.738 -17.334 -2.502 1.00 0.00 C ATOM 0 H VAL A 15 1.154 -16.757 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 15 3.034 -14.787 -2.365 1.00 0.00 H new ATOM 0 HB VAL A 15 2.523 -17.084 -4.237 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.881 -16.855 -4.927 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.909 -15.439 -5.393 1.00 0.00 H new ATOM 0 HG13 VAL A 15 5.001 -15.346 -3.991 1.00 0.00 H new ATOM 0 HG21 VAL A 15 4.303 -18.169 -2.916 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.390 -16.734 -1.867 1.00 0.00 H new ATOM 0 HG23 VAL A 15 2.907 -17.717 -1.910 1.00 0.00 H new ATOM 233 N MET A 16 1.054 -14.604 -4.980 1.00 0.00 N ATOM 234 CA MET A 16 0.613 -13.724 -6.048 1.00 0.00 C ATOM 235 C MET A 16 0.091 -12.399 -5.488 1.00 0.00 C ATOM 236 O MET A 16 0.488 -11.329 -5.945 1.00 0.00 O ATOM 237 CB MET A 16 -0.493 -14.410 -6.852 1.00 0.00 C ATOM 238 CG MET A 16 -0.132 -14.476 -8.337 1.00 0.00 C ATOM 239 SD MET A 16 1.058 -15.776 -8.618 1.00 0.00 S ATOM 240 CE MET A 16 1.060 -15.815 -10.402 1.00 0.00 C ATOM 0 H MET A 16 0.544 -15.485 -4.916 1.00 0.00 H new ATOM 0 HA MET A 16 1.466 -13.513 -6.693 1.00 0.00 H new ATOM 0 HB2 MET A 16 -0.655 -15.417 -6.468 1.00 0.00 H new ATOM 0 HB3 MET A 16 -1.429 -13.867 -6.726 1.00 0.00 H new ATOM 0 HG2 MET A 16 -1.028 -14.658 -8.930 1.00 0.00 H new ATOM 0 HG3 MET A 16 0.278 -13.520 -8.663 1.00 0.00 H new ATOM 0 HE1 MET A 16 1.756 -16.579 -10.748 1.00 0.00 H new ATOM 0 HE2 MET A 16 0.058 -16.047 -10.762 1.00 0.00 H new ATOM 0 HE3 MET A 16 1.368 -14.843 -10.787 1.00 0.00 H new ATOM 250 N MET A 17 -0.790 -12.515 -4.505 1.00 0.00 N ATOM 251 CA MET A 17 -1.370 -11.341 -3.878 1.00 0.00 C ATOM 252 C MET A 17 -0.283 -10.449 -3.272 1.00 0.00 C ATOM 253 O MET A 17 -0.429 -9.228 -3.231 1.00 0.00 O ATOM 254 CB MET A 17 -2.343 -11.776 -2.779 1.00 0.00 C ATOM 255 CG MET A 17 -3.521 -12.555 -3.368 1.00 0.00 C ATOM 256 SD MET A 17 -4.700 -12.939 -2.084 1.00 0.00 S ATOM 257 CE MET A 17 -6.090 -13.446 -3.083 1.00 0.00 C ATOM 0 H MET A 17 -1.116 -13.405 -4.128 1.00 0.00 H new ATOM 0 HA MET A 17 -1.900 -10.770 -4.641 1.00 0.00 H new ATOM 0 HB2 MET A 17 -1.821 -12.395 -2.050 1.00 0.00 H new ATOM 0 HB3 MET A 17 -2.712 -10.899 -2.247 1.00 0.00 H new ATOM 0 HG2 MET A 17 -4.001 -11.968 -4.151 1.00 0.00 H new ATOM 0 HG3 MET A 17 -3.164 -13.474 -3.833 1.00 0.00 H new ATOM 0 HE1 MET A 17 -6.922 -13.723 -2.435 1.00 0.00 H new ATOM 0 HE2 MET A 17 -6.392 -12.623 -3.730 1.00 0.00 H new ATOM 0 HE3 MET A 17 -5.806 -14.303 -3.694 1.00 0.00 H new ATOM 267 N GLY A 18 0.782 -11.094 -2.819 1.00 0.00 N ATOM 268 CA GLY A 18 1.893 -10.374 -2.219 1.00 0.00 C ATOM 269 C GLY A 18 2.592 -9.487 -3.250 1.00 0.00 C ATOM 270 O GLY A 18 2.606 -8.265 -3.115 1.00 0.00 O ATOM 0 H GLY A 18 0.899 -12.107 -2.855 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.531 -9.762 -1.393 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.607 -11.083 -1.800 1.00 0.00 H new ATOM 274 N LEU A 19 3.157 -10.137 -4.257 1.00 0.00 N ATOM 275 CA LEU A 19 3.857 -9.422 -5.310 1.00 0.00 C ATOM 276 C LEU A 19 2.913 -8.393 -5.936 1.00 0.00 C ATOM 277 O LEU A 19 3.202 -7.197 -5.931 1.00 0.00 O ATOM 278 CB LEU A 19 4.451 -10.405 -6.321 1.00 0.00 C ATOM 279 CG LEU A 19 3.486 -11.444 -6.895 1.00 0.00 C ATOM 280 CD1 LEU A 19 2.886 -10.963 -8.217 1.00 0.00 C ATOM 281 CD2 LEU A 19 4.165 -12.807 -7.036 1.00 0.00 C ATOM 0 H LEU A 19 3.144 -11.151 -4.366 1.00 0.00 H new ATOM 0 HA LEU A 19 4.703 -8.871 -4.899 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.872 -9.834 -7.148 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.278 -10.931 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 19 2.662 -11.568 -6.193 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.204 -11.720 -8.604 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.341 -10.033 -8.052 1.00 0.00 H new ATOM 0 HD13 LEU A 19 3.685 -10.792 -8.938 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.456 -13.526 -7.446 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.021 -12.720 -7.705 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.503 -13.148 -6.057 1.00 0.00 H new ATOM 293 N ALA A 20 1.804 -8.894 -6.460 1.00 0.00 N ATOM 294 CA ALA A 20 0.818 -8.033 -7.089 1.00 0.00 C ATOM 295 C ALA A 20 0.553 -6.826 -6.185 1.00 0.00 C ATOM 296 O ALA A 20 0.799 -5.686 -6.579 1.00 0.00 O ATOM 297 CB ALA A 20 -0.452 -8.836 -7.375 1.00 0.00 C ATOM 0 H ALA A 20 1.567 -9.886 -6.462 1.00 0.00 H new ATOM 0 HA ALA A 20 1.188 -7.657 -8.043 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -1.192 -8.190 -7.847 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -0.216 -9.665 -8.042 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.854 -9.226 -6.440 1.00 0.00 H new ATOM 303 N ALA A 21 0.053 -7.118 -4.994 1.00 0.00 N ATOM 304 CA ALA A 21 -0.249 -6.070 -4.033 1.00 0.00 C ATOM 305 C ALA A 21 0.904 -5.066 -4.000 1.00 0.00 C ATOM 306 O ALA A 21 0.699 -3.873 -4.218 1.00 0.00 O ATOM 307 CB ALA A 21 -0.514 -6.696 -2.662 1.00 0.00 C ATOM 0 H ALA A 21 -0.151 -8.064 -4.672 1.00 0.00 H new ATOM 0 HA ALA A 21 -1.149 -5.530 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -0.740 -5.911 -1.941 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -1.360 -7.380 -2.732 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.370 -7.244 -2.335 1.00 0.00 H new ATOM 313 N ILE A 22 2.092 -5.585 -3.728 1.00 0.00 N ATOM 314 CA ILE A 22 3.278 -4.749 -3.665 1.00 0.00 C ATOM 315 C ILE A 22 3.326 -3.844 -4.898 1.00 0.00 C ATOM 316 O ILE A 22 3.562 -2.643 -4.782 1.00 0.00 O ATOM 317 CB ILE A 22 4.532 -5.608 -3.485 1.00 0.00 C ATOM 318 CG1 ILE A 22 4.499 -6.351 -2.148 1.00 0.00 C ATOM 319 CG2 ILE A 22 5.800 -4.768 -3.644 1.00 0.00 C ATOM 320 CD1 ILE A 22 5.376 -7.604 -2.195 1.00 0.00 C ATOM 0 H ILE A 22 2.259 -6.575 -3.549 1.00 0.00 H new ATOM 0 HA ILE A 22 3.237 -4.098 -2.792 1.00 0.00 H new ATOM 0 HB ILE A 22 4.546 -6.362 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 22 4.844 -5.691 -1.352 1.00 0.00 H new ATOM 0 HG13 ILE A 22 3.473 -6.630 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.676 -5.403 -3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 22 5.820 -4.325 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 22 5.809 -3.977 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 22 5.335 -8.113 -1.232 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.013 -8.273 -2.975 1.00 0.00 H new ATOM 0 HD13 ILE A 22 6.406 -7.319 -2.411 1.00 0.00 H new ATOM 332 N GLY A 23 3.096 -4.456 -6.051 1.00 0.00 N ATOM 333 CA GLY A 23 3.109 -3.720 -7.303 1.00 0.00 C ATOM 334 C GLY A 23 2.268 -2.446 -7.200 1.00 0.00 C ATOM 335 O GLY A 23 2.798 -1.339 -7.283 1.00 0.00 O ATOM 0 H GLY A 23 2.900 -5.453 -6.144 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.135 -3.462 -7.567 1.00 0.00 H new ATOM 0 HA3 GLY A 23 2.723 -4.351 -8.104 1.00 0.00 H new ATOM 339 N ASP A 24 0.970 -2.646 -7.022 1.00 0.00 N ATOM 340 CA ASP A 24 0.050 -1.526 -6.907 1.00 0.00 C ATOM 341 C ASP A 24 0.503 -0.615 -5.765 1.00 0.00 C ATOM 342 O ASP A 24 0.815 0.554 -5.985 1.00 0.00 O ATOM 343 CB ASP A 24 -1.368 -2.009 -6.594 1.00 0.00 C ATOM 344 CG ASP A 24 -2.487 -1.169 -7.210 1.00 0.00 C ATOM 345 OD1 ASP A 24 -2.233 -0.239 -7.990 1.00 0.00 O ATOM 346 OD2 ASP A 24 -3.680 -1.506 -6.856 1.00 0.00 O ATOM 0 H ASP A 24 0.534 -3.566 -6.955 1.00 0.00 H new ATOM 0 HA ASP A 24 0.047 -0.992 -7.857 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.471 -3.036 -6.943 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.500 -2.025 -5.512 1.00 0.00 H new ATOM 352 N ALA A 25 0.525 -1.185 -4.569 1.00 0.00 N ATOM 353 CA ALA A 25 0.934 -0.438 -3.392 1.00 0.00 C ATOM 354 C ALA A 25 2.136 0.442 -3.743 1.00 0.00 C ATOM 355 O ALA A 25 2.326 1.503 -3.151 1.00 0.00 O ATOM 356 CB ALA A 25 1.238 -1.412 -2.250 1.00 0.00 C ATOM 0 H ALA A 25 0.266 -2.155 -4.390 1.00 0.00 H new ATOM 0 HA ALA A 25 0.132 0.219 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 25 1.545 -0.852 -1.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 0.345 -1.993 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 25 2.041 -2.085 -2.550 1.00 0.00 H new ATOM 362 N ILE A 26 2.913 -0.031 -4.705 1.00 0.00 N ATOM 363 CA ILE A 26 4.091 0.699 -5.142 1.00 0.00 C ATOM 364 C ILE A 26 3.665 1.829 -6.081 1.00 0.00 C ATOM 365 O ILE A 26 4.055 2.980 -5.890 1.00 0.00 O ATOM 366 CB ILE A 26 5.117 -0.256 -5.756 1.00 0.00 C ATOM 367 CG1 ILE A 26 6.180 -0.652 -4.729 1.00 0.00 C ATOM 368 CG2 ILE A 26 5.736 0.342 -7.020 1.00 0.00 C ATOM 369 CD1 ILE A 26 7.503 -0.995 -5.415 1.00 0.00 C ATOM 0 H ILE A 26 2.750 -0.911 -5.195 1.00 0.00 H new ATOM 0 HA ILE A 26 4.590 1.161 -4.290 1.00 0.00 H new ATOM 0 HB ILE A 26 4.600 -1.168 -6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 26 6.333 0.166 -4.024 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.832 -1.509 -4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 26 6.461 -0.357 -7.436 1.00 0.00 H new ATOM 0 HG22 ILE A 26 4.953 0.532 -7.754 1.00 0.00 H new ATOM 0 HG23 ILE A 26 6.236 1.279 -6.772 1.00 0.00 H new ATOM 0 HD11 ILE A 26 8.241 -1.273 -4.663 1.00 0.00 H new ATOM 0 HD12 ILE A 26 7.352 -1.829 -6.101 1.00 0.00 H new ATOM 0 HD13 ILE A 26 7.860 -0.128 -5.971 1.00 0.00 H new ATOM 381 N GLY A 27 2.870 1.462 -7.076 1.00 0.00 N ATOM 382 CA GLY A 27 2.387 2.430 -8.045 1.00 0.00 C ATOM 383 C GLY A 27 2.140 3.789 -7.386 1.00 0.00 C ATOM 384 O GLY A 27 2.531 4.824 -7.923 1.00 0.00 O ATOM 0 H GLY A 27 2.548 0.507 -7.231 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.114 2.539 -8.849 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.464 2.068 -8.497 1.00 0.00 H new ATOM 388 N ILE A 28 1.493 3.742 -6.230 1.00 0.00 N ATOM 389 CA ILE A 28 1.188 4.955 -5.492 1.00 0.00 C ATOM 390 C ILE A 28 2.460 5.466 -4.813 1.00 0.00 C ATOM 391 O ILE A 28 2.809 6.638 -4.941 1.00 0.00 O ATOM 392 CB ILE A 28 0.028 4.717 -4.525 1.00 0.00 C ATOM 393 CG1 ILE A 28 -0.882 3.594 -5.026 1.00 0.00 C ATOM 394 CG2 ILE A 28 -0.748 6.012 -4.270 1.00 0.00 C ATOM 395 CD1 ILE A 28 -0.561 2.274 -4.323 1.00 0.00 C ATOM 0 H ILE A 28 1.172 2.881 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 28 0.851 5.739 -6.170 1.00 0.00 H new ATOM 0 HB ILE A 28 0.441 4.395 -3.569 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -1.924 3.860 -4.850 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -0.761 3.476 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.568 5.815 -3.579 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -0.080 6.757 -3.838 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.149 6.387 -5.211 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -1.222 1.492 -4.697 1.00 0.00 H new ATOM 0 HD12 ILE A 28 0.475 1.999 -4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -0.707 2.389 -3.249 1.00 0.00 H new ATOM 407 N GLY A 29 3.119 4.560 -4.105 1.00 0.00 N ATOM 408 CA GLY A 29 4.345 4.904 -3.405 1.00 0.00 C ATOM 409 C GLY A 29 5.270 5.736 -4.295 1.00 0.00 C ATOM 410 O GLY A 29 5.737 6.799 -3.890 1.00 0.00 O ATOM 0 H GLY A 29 2.827 3.588 -4.001 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.107 5.462 -2.500 1.00 0.00 H new ATOM 0 HA3 GLY A 29 4.857 3.994 -3.093 1.00 0.00 H new ATOM 414 N ILE A 30 5.509 5.218 -5.492 1.00 0.00 N ATOM 415 CA ILE A 30 6.370 5.900 -6.444 1.00 0.00 C ATOM 416 C ILE A 30 5.688 7.189 -6.910 1.00 0.00 C ATOM 417 O ILE A 30 6.358 8.171 -7.222 1.00 0.00 O ATOM 418 CB ILE A 30 6.754 4.959 -7.587 1.00 0.00 C ATOM 419 CG1 ILE A 30 7.928 4.063 -7.189 1.00 0.00 C ATOM 420 CG2 ILE A 30 7.042 5.744 -8.869 1.00 0.00 C ATOM 421 CD1 ILE A 30 7.675 3.398 -5.834 1.00 0.00 C ATOM 0 H ILE A 30 5.122 4.335 -5.824 1.00 0.00 H new ATOM 0 HA ILE A 30 7.308 6.189 -5.971 1.00 0.00 H new ATOM 0 HB ILE A 30 5.906 4.306 -7.792 1.00 0.00 H new ATOM 0 HG12 ILE A 30 8.081 3.298 -7.951 1.00 0.00 H new ATOM 0 HG13 ILE A 30 8.842 4.655 -7.143 1.00 0.00 H new ATOM 0 HG21 ILE A 30 7.313 5.052 -9.666 1.00 0.00 H new ATOM 0 HG22 ILE A 30 6.153 6.304 -9.160 1.00 0.00 H new ATOM 0 HG23 ILE A 30 7.866 6.436 -8.694 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.525 2.766 -5.574 1.00 0.00 H new ATOM 0 HD12 ILE A 30 7.546 4.165 -5.071 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.773 2.788 -5.891 1.00 0.00 H new ATOM 433 N LEU A 31 4.365 7.142 -6.942 1.00 0.00 N ATOM 434 CA LEU A 31 3.586 8.293 -7.364 1.00 0.00 C ATOM 435 C LEU A 31 3.895 9.477 -6.446 1.00 0.00 C ATOM 436 O LEU A 31 4.072 10.601 -6.915 1.00 0.00 O ATOM 437 CB LEU A 31 2.099 7.939 -7.431 1.00 0.00 C ATOM 438 CG LEU A 31 1.355 8.399 -8.687 1.00 0.00 C ATOM 439 CD1 LEU A 31 -0.083 7.880 -8.693 1.00 0.00 C ATOM 440 CD2 LEU A 31 1.416 9.921 -8.833 1.00 0.00 C ATOM 0 H LEU A 31 3.813 6.325 -6.683 1.00 0.00 H new ATOM 0 HA LEU A 31 3.865 8.591 -8.375 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.000 6.857 -7.350 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.604 8.370 -6.561 1.00 0.00 H new ATOM 0 HG LEU A 31 1.855 7.972 -9.556 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -0.589 8.221 -9.596 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -0.077 6.790 -8.670 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -0.610 8.258 -7.817 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.880 10.222 -9.733 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.955 10.389 -7.963 1.00 0.00 H new ATOM 0 HD23 LEU A 31 2.456 10.238 -8.907 1.00 0.00 H new ATOM 452 N GLY A 32 3.950 9.186 -5.155 1.00 0.00 N ATOM 453 CA GLY A 32 4.234 10.213 -4.168 1.00 0.00 C ATOM 454 C GLY A 32 5.541 10.939 -4.492 1.00 0.00 C ATOM 455 O GLY A 32 5.688 12.123 -4.197 1.00 0.00 O ATOM 0 H GLY A 32 3.803 8.253 -4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 32 3.414 10.930 -4.138 1.00 0.00 H new ATOM 0 HA3 GLY A 32 4.300 9.762 -3.178 1.00 0.00 H new ATOM 459 N GLY A 33 6.459 10.196 -5.094 1.00 0.00 N ATOM 460 CA GLY A 33 7.750 10.754 -5.462 1.00 0.00 C ATOM 461 C GLY A 33 7.655 11.536 -6.774 1.00 0.00 C ATOM 462 O GLY A 33 8.213 12.626 -6.892 1.00 0.00 O ATOM 0 H GLY A 33 6.334 9.213 -5.336 1.00 0.00 H new ATOM 0 HA2 GLY A 33 8.106 11.410 -4.668 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.481 9.952 -5.564 1.00 0.00 H new ATOM 466 N LYS A 34 6.946 10.949 -7.726 1.00 0.00 N ATOM 467 CA LYS A 34 6.771 11.577 -9.025 1.00 0.00 C ATOM 468 C LYS A 34 5.914 12.835 -8.867 1.00 0.00 C ATOM 469 O LYS A 34 5.787 13.625 -9.801 1.00 0.00 O ATOM 470 CB LYS A 34 6.210 10.574 -10.034 1.00 0.00 C ATOM 471 CG LYS A 34 6.500 11.019 -11.469 1.00 0.00 C ATOM 472 CD LYS A 34 7.034 9.855 -12.307 1.00 0.00 C ATOM 473 CE LYS A 34 8.561 9.796 -12.256 1.00 0.00 C ATOM 474 NZ LYS A 34 9.065 8.682 -13.089 1.00 0.00 N ATOM 0 H LYS A 34 6.485 10.045 -7.624 1.00 0.00 H new ATOM 0 HA LYS A 34 7.733 11.894 -9.427 1.00 0.00 H new ATOM 0 HB2 LYS A 34 6.649 9.592 -9.858 1.00 0.00 H new ATOM 0 HB3 LYS A 34 5.134 10.472 -9.891 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.590 11.411 -11.923 1.00 0.00 H new ATOM 0 HG3 LYS A 34 7.228 11.830 -11.462 1.00 0.00 H new ATOM 0 HD2 LYS A 34 6.618 8.917 -11.939 1.00 0.00 H new ATOM 0 HD3 LYS A 34 6.705 9.966 -13.340 1.00 0.00 H new ATOM 0 HE2 LYS A 34 8.979 10.739 -12.608 1.00 0.00 H new ATOM 0 HE3 LYS A 34 8.892 9.666 -11.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 10.104 8.656 -13.043 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 8.681 7.783 -12.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 8.766 8.823 -14.075 1.00 0.00 H new ATOM 488 N PHE A 35 5.349 12.982 -7.678 1.00 0.00 N ATOM 489 CA PHE A 35 4.508 14.131 -7.386 1.00 0.00 C ATOM 490 C PHE A 35 5.326 15.265 -6.765 1.00 0.00 C ATOM 491 O PHE A 35 5.018 16.438 -6.967 1.00 0.00 O ATOM 492 CB PHE A 35 3.453 13.668 -6.378 1.00 0.00 C ATOM 493 CG PHE A 35 2.134 14.439 -6.459 1.00 0.00 C ATOM 494 CD1 PHE A 35 1.512 14.598 -7.658 1.00 0.00 C ATOM 495 CD2 PHE A 35 1.584 14.965 -5.332 1.00 0.00 C ATOM 496 CE1 PHE A 35 0.288 15.313 -7.733 1.00 0.00 C ATOM 497 CE2 PHE A 35 0.360 15.681 -5.408 1.00 0.00 C ATOM 498 CZ PHE A 35 -0.262 15.839 -6.607 1.00 0.00 C ATOM 0 H PHE A 35 5.457 12.325 -6.905 1.00 0.00 H new ATOM 0 HA PHE A 35 4.057 14.505 -8.305 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.253 12.608 -6.538 1.00 0.00 H new ATOM 0 HB3 PHE A 35 3.859 13.767 -5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 35 1.949 14.180 -8.553 1.00 0.00 H new ATOM 0 HD2 PHE A 35 2.078 14.838 -4.380 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -0.206 15.439 -8.685 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -0.077 16.100 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 35 -1.193 16.383 -6.664 1.00 0.00 H new ATOM 508 N LEU A 36 6.352 14.875 -6.023 1.00 0.00 N ATOM 509 CA LEU A 36 7.216 15.845 -5.373 1.00 0.00 C ATOM 510 C LEU A 36 7.508 16.993 -6.342 1.00 0.00 C ATOM 511 O LEU A 36 7.174 18.144 -6.066 1.00 0.00 O ATOM 512 CB LEU A 36 8.473 15.163 -4.830 1.00 0.00 C ATOM 513 CG LEU A 36 9.060 15.758 -3.548 1.00 0.00 C ATOM 514 CD1 LEU A 36 8.235 15.346 -2.327 1.00 0.00 C ATOM 515 CD2 LEU A 36 10.536 15.387 -3.396 1.00 0.00 C ATOM 0 H LEU A 36 6.604 13.901 -5.858 1.00 0.00 H new ATOM 0 HA LEU A 36 6.717 16.279 -4.506 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.242 14.113 -4.647 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.240 15.191 -5.604 1.00 0.00 H new ATOM 0 HG LEU A 36 9.009 16.844 -3.620 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.672 15.781 -1.429 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.212 15.703 -2.442 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.232 14.260 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.928 15.823 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 36 10.636 14.302 -3.355 1.00 0.00 H new ATOM 0 HD23 LEU A 36 11.097 15.771 -4.248 1.00 0.00 H new ATOM 527 N GLU A 37 8.129 16.639 -7.457 1.00 0.00 N ATOM 528 CA GLU A 37 8.470 17.625 -8.469 1.00 0.00 C ATOM 529 C GLU A 37 7.200 18.185 -9.113 1.00 0.00 C ATOM 530 O GLU A 37 7.134 19.371 -9.433 1.00 0.00 O ATOM 531 CB GLU A 37 9.403 17.028 -9.524 1.00 0.00 C ATOM 532 CG GLU A 37 10.682 17.856 -9.658 1.00 0.00 C ATOM 533 CD GLU A 37 11.870 16.972 -10.045 1.00 0.00 C ATOM 534 OE1 GLU A 37 11.973 16.547 -11.205 1.00 0.00 O ATOM 535 OE2 GLU A 37 12.704 16.732 -9.090 1.00 0.00 O ATOM 0 H GLU A 37 8.405 15.683 -7.682 1.00 0.00 H new ATOM 0 HA GLU A 37 9.001 18.445 -7.985 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.656 16.003 -9.252 1.00 0.00 H new ATOM 0 HB3 GLU A 37 8.891 16.986 -10.485 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.540 18.631 -10.411 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.892 18.362 -8.716 1.00 0.00 H new ATOM 543 N GLY A 38 6.225 17.306 -9.284 1.00 0.00 N ATOM 544 CA GLY A 38 4.961 17.698 -9.884 1.00 0.00 C ATOM 545 C GLY A 38 4.292 18.813 -9.076 1.00 0.00 C ATOM 546 O GLY A 38 3.640 19.689 -9.643 1.00 0.00 O ATOM 0 H GLY A 38 6.284 16.323 -9.018 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.129 18.036 -10.907 1.00 0.00 H new ATOM 0 HA3 GLY A 38 4.297 16.835 -9.938 1.00 0.00 H new ATOM 550 N ALA A 39 4.479 18.743 -7.767 1.00 0.00 N ATOM 551 CA ALA A 39 3.902 19.736 -6.876 1.00 0.00 C ATOM 552 C ALA A 39 4.952 20.804 -6.561 1.00 0.00 C ATOM 553 O ALA A 39 4.626 21.858 -6.017 1.00 0.00 O ATOM 554 CB ALA A 39 3.376 19.046 -5.615 1.00 0.00 C ATOM 0 H ALA A 39 5.021 18.015 -7.302 1.00 0.00 H new ATOM 0 HA ALA A 39 3.057 20.234 -7.352 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.943 19.790 -4.947 1.00 0.00 H new ATOM 0 HB2 ALA A 39 2.613 18.318 -5.890 1.00 0.00 H new ATOM 0 HB3 ALA A 39 4.197 18.538 -5.109 1.00 0.00 H new ATOM 560 N ALA A 40 6.189 20.495 -6.918 1.00 0.00 N ATOM 561 CA ALA A 40 7.289 21.414 -6.681 1.00 0.00 C ATOM 562 C ALA A 40 7.018 22.727 -7.418 1.00 0.00 C ATOM 563 O ALA A 40 7.470 23.789 -6.989 1.00 0.00 O ATOM 564 CB ALA A 40 8.603 20.762 -7.115 1.00 0.00 C ATOM 0 H ALA A 40 6.455 19.620 -7.370 1.00 0.00 H new ATOM 0 HA ALA A 40 7.375 21.643 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.428 21.452 -6.937 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.763 19.849 -6.541 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.556 20.520 -8.177 1.00 0.00 H new ATOM 570 N ARG A 41 6.281 22.613 -8.512 1.00 0.00 N ATOM 571 CA ARG A 41 5.944 23.778 -9.313 1.00 0.00 C ATOM 572 C ARG A 41 4.650 24.415 -8.804 1.00 0.00 C ATOM 573 O ARG A 41 4.199 25.426 -9.341 1.00 0.00 O ATOM 574 CB ARG A 41 5.775 23.404 -10.786 1.00 0.00 C ATOM 575 CG ARG A 41 6.988 23.844 -11.608 1.00 0.00 C ATOM 576 CD ARG A 41 6.891 23.336 -13.047 1.00 0.00 C ATOM 577 NE ARG A 41 7.156 24.442 -13.994 1.00 0.00 N ATOM 578 CZ ARG A 41 8.335 25.092 -14.086 1.00 0.00 C ATOM 579 NH1 ARG A 41 9.370 24.752 -13.289 1.00 0.00 N ATOM 580 NH2 ARG A 41 8.462 26.066 -14.969 1.00 0.00 N ATOM 0 H ARG A 41 5.907 21.731 -8.863 1.00 0.00 H new ATOM 0 HA ARG A 41 6.764 24.490 -9.223 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.641 22.326 -10.878 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.874 23.872 -11.182 1.00 0.00 H new ATOM 0 HG2 ARG A 41 7.057 24.932 -11.607 1.00 0.00 H new ATOM 0 HG3 ARG A 41 7.900 23.466 -11.146 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.608 22.531 -13.206 1.00 0.00 H new ATOM 0 HD3 ARG A 41 5.900 22.921 -13.229 1.00 0.00 H new ATOM 0 HE ARG A 41 6.401 24.731 -14.616 1.00 0.00 H new ATOM 0 HH11 ARG A 41 9.265 23.998 -12.610 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.257 25.249 -13.366 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.676 26.317 -15.568 1.00 0.00 H new ATOM 0 HH22 ARG A 41 9.346 26.568 -15.051 1.00 0.00 H new ATOM 594 N GLN A 42 4.089 23.798 -7.774 1.00 0.00 N ATOM 595 CA GLN A 42 2.856 24.293 -7.187 1.00 0.00 C ATOM 596 C GLN A 42 3.102 24.767 -5.753 1.00 0.00 C ATOM 597 O GLN A 42 3.246 23.952 -4.842 1.00 0.00 O ATOM 598 CB GLN A 42 1.761 23.225 -7.230 1.00 0.00 C ATOM 599 CG GLN A 42 1.725 22.531 -8.593 1.00 0.00 C ATOM 600 CD GLN A 42 0.984 23.386 -9.623 1.00 0.00 C ATOM 601 OE1 GLN A 42 1.531 23.806 -10.629 1.00 0.00 O ATOM 602 NE2 GLN A 42 -0.290 23.617 -9.318 1.00 0.00 N ATOM 0 H GLN A 42 4.466 22.960 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 42 2.513 25.144 -7.776 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.937 22.487 -6.447 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.793 23.683 -7.025 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.742 22.342 -8.936 1.00 0.00 H new ATOM 0 HG3 GLN A 42 1.235 21.562 -8.499 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.686 23.235 -8.459 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.871 24.176 -9.943 1.00 0.00 H new ATOM 611 N PRO A 43 3.146 26.117 -5.594 1.00 0.00 N ATOM 612 CA PRO A 43 3.374 26.709 -4.287 1.00 0.00 C ATOM 613 C PRO A 43 2.120 26.611 -3.415 1.00 0.00 C ATOM 614 O PRO A 43 2.116 27.073 -2.274 1.00 0.00 O ATOM 615 CB PRO A 43 3.790 28.142 -4.571 1.00 0.00 C ATOM 616 CG PRO A 43 3.333 28.436 -5.991 1.00 0.00 C ATOM 617 CD PRO A 43 2.981 27.111 -6.649 1.00 0.00 C ATOM 0 HA PRO A 43 4.146 26.190 -3.719 1.00 0.00 H new ATOM 0 HB2 PRO A 43 3.329 28.830 -3.862 1.00 0.00 H new ATOM 0 HB3 PRO A 43 4.869 28.261 -4.476 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.469 29.101 -5.985 1.00 0.00 H new ATOM 0 HG3 PRO A 43 4.121 28.942 -6.549 1.00 0.00 H new ATOM 0 HD2 PRO A 43 1.960 27.117 -7.031 1.00 0.00 H new ATOM 0 HD3 PRO A 43 3.636 26.903 -7.495 1.00 0.00 H new ATOM 625 N ASP A 44 1.088 26.009 -3.984 1.00 0.00 N ATOM 626 CA ASP A 44 -0.169 25.845 -3.273 1.00 0.00 C ATOM 627 C ASP A 44 -0.527 24.359 -3.215 1.00 0.00 C ATOM 628 O ASP A 44 -1.654 24.001 -2.877 1.00 0.00 O ATOM 629 CB ASP A 44 -1.306 26.577 -3.989 1.00 0.00 C ATOM 630 CG ASP A 44 -1.834 27.817 -3.263 1.00 0.00 C ATOM 631 OD1 ASP A 44 -2.643 27.714 -2.330 1.00 0.00 O ATOM 632 OD2 ASP A 44 -1.376 28.941 -3.700 1.00 0.00 O ATOM 0 H ASP A 44 1.095 25.628 -4.930 1.00 0.00 H new ATOM 0 HA ASP A 44 -0.047 26.259 -2.272 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.960 26.874 -4.979 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -2.132 25.880 -4.135 1.00 0.00 H new ATOM 638 N LEU A 45 0.454 23.533 -3.549 1.00 0.00 N ATOM 639 CA LEU A 45 0.256 22.093 -3.538 1.00 0.00 C ATOM 640 C LEU A 45 1.411 21.430 -2.786 1.00 0.00 C ATOM 641 O LEU A 45 1.608 20.220 -2.886 1.00 0.00 O ATOM 642 CB LEU A 45 0.068 21.568 -4.963 1.00 0.00 C ATOM 643 CG LEU A 45 -1.220 20.783 -5.224 1.00 0.00 C ATOM 644 CD1 LEU A 45 -1.767 21.077 -6.622 1.00 0.00 C ATOM 645 CD2 LEU A 45 -1.005 19.286 -4.995 1.00 0.00 C ATOM 0 H LEU A 45 1.388 23.833 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.660 21.838 -3.005 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.099 22.415 -5.648 1.00 0.00 H new ATOM 0 HB3 LEU A 45 0.916 20.928 -5.208 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.973 21.113 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.682 20.507 -6.782 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.982 22.142 -6.712 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.027 20.792 -7.370 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.935 18.751 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.231 18.922 -5.671 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.695 19.116 -3.964 1.00 0.00 H new ATOM 657 N ILE A 46 2.145 22.251 -2.049 1.00 0.00 N ATOM 658 CA ILE A 46 3.275 21.758 -1.281 1.00 0.00 C ATOM 659 C ILE A 46 2.762 20.956 -0.084 1.00 0.00 C ATOM 660 O ILE A 46 3.180 19.819 0.131 1.00 0.00 O ATOM 661 CB ILE A 46 4.204 22.912 -0.894 1.00 0.00 C ATOM 662 CG1 ILE A 46 5.363 23.038 -1.885 1.00 0.00 C ATOM 663 CG2 ILE A 46 4.695 22.762 0.547 1.00 0.00 C ATOM 664 CD1 ILE A 46 5.716 24.506 -2.132 1.00 0.00 C ATOM 0 H ILE A 46 1.979 23.254 -1.968 1.00 0.00 H new ATOM 0 HA ILE A 46 3.879 21.080 -1.885 1.00 0.00 H new ATOM 0 HB ILE A 46 3.635 23.840 -0.944 1.00 0.00 H new ATOM 0 HG12 ILE A 46 6.235 22.511 -1.499 1.00 0.00 H new ATOM 0 HG13 ILE A 46 5.094 22.561 -2.828 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.353 23.595 0.796 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.841 22.760 1.224 1.00 0.00 H new ATOM 0 HG23 ILE A 46 5.242 21.825 0.649 1.00 0.00 H new ATOM 0 HD11 ILE A 46 6.543 24.567 -2.840 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.849 25.025 -2.541 1.00 0.00 H new ATOM 0 HD13 ILE A 46 6.008 24.973 -1.192 1.00 0.00 H new ATOM 676 N PRO A 47 1.839 21.595 0.684 1.00 0.00 N ATOM 677 CA PRO A 47 1.264 20.953 1.854 1.00 0.00 C ATOM 678 C PRO A 47 0.241 19.890 1.448 1.00 0.00 C ATOM 679 O PRO A 47 -0.339 19.224 2.303 1.00 0.00 O ATOM 680 CB PRO A 47 0.655 22.084 2.664 1.00 0.00 C ATOM 681 CG PRO A 47 0.502 23.252 1.702 1.00 0.00 C ATOM 682 CD PRO A 47 1.321 22.941 0.460 1.00 0.00 C ATOM 0 HA PRO A 47 2.004 20.413 2.444 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -0.309 21.791 3.079 1.00 0.00 H new ATOM 0 HB3 PRO A 47 1.296 22.352 3.504 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -0.546 23.398 1.442 1.00 0.00 H new ATOM 0 HG3 PRO A 47 0.847 24.176 2.165 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.707 22.984 -0.440 1.00 0.00 H new ATOM 0 HD3 PRO A 47 2.130 23.660 0.329 1.00 0.00 H new ATOM 690 N LEU A 48 0.052 19.764 0.143 1.00 0.00 N ATOM 691 CA LEU A 48 -0.891 18.794 -0.387 1.00 0.00 C ATOM 692 C LEU A 48 -0.130 17.550 -0.850 1.00 0.00 C ATOM 693 O LEU A 48 -0.477 16.430 -0.478 1.00 0.00 O ATOM 694 CB LEU A 48 -1.756 19.428 -1.478 1.00 0.00 C ATOM 695 CG LEU A 48 -2.985 20.201 -0.995 1.00 0.00 C ATOM 696 CD1 LEU A 48 -3.804 20.722 -2.177 1.00 0.00 C ATOM 697 CD2 LEU A 48 -3.829 19.350 -0.044 1.00 0.00 C ATOM 0 H LEU A 48 0.536 20.318 -0.564 1.00 0.00 H new ATOM 0 HA LEU A 48 -1.585 18.473 0.390 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.132 20.105 -2.061 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -2.089 18.640 -2.153 1.00 0.00 H new ATOM 0 HG LEU A 48 -2.643 21.070 -0.432 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -4.672 21.268 -1.806 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.188 21.388 -2.781 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -4.137 19.882 -2.787 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.696 19.923 0.284 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.163 18.450 -0.560 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -3.230 19.070 0.822 1.00 0.00 H new ATOM 709 N LEU A 49 0.893 17.788 -1.658 1.00 0.00 N ATOM 710 CA LEU A 49 1.707 16.701 -2.176 1.00 0.00 C ATOM 711 C LEU A 49 2.219 15.852 -1.011 1.00 0.00 C ATOM 712 O LEU A 49 2.086 14.629 -1.024 1.00 0.00 O ATOM 713 CB LEU A 49 2.819 17.246 -3.075 1.00 0.00 C ATOM 714 CG LEU A 49 4.250 17.007 -2.591 1.00 0.00 C ATOM 715 CD1 LEU A 49 4.597 15.517 -2.620 1.00 0.00 C ATOM 716 CD2 LEU A 49 5.247 17.843 -3.395 1.00 0.00 C ATOM 0 H LEU A 49 1.177 18.718 -1.967 1.00 0.00 H new ATOM 0 HA LEU A 49 1.109 16.046 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.712 16.799 -4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 49 2.671 18.319 -3.192 1.00 0.00 H new ATOM 0 HG LEU A 49 4.319 17.333 -1.553 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.620 15.375 -2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.913 14.971 -1.970 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.506 15.142 -3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.257 17.655 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.184 17.570 -4.448 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.011 18.901 -3.279 1.00 0.00 H new ATOM 728 N ARG A 50 2.792 16.534 -0.030 1.00 0.00 N ATOM 729 CA ARG A 50 3.324 15.858 1.140 1.00 0.00 C ATOM 730 C ARG A 50 2.221 15.062 1.841 1.00 0.00 C ATOM 731 O ARG A 50 2.266 13.833 1.879 1.00 0.00 O ATOM 732 CB ARG A 50 3.926 16.859 2.129 1.00 0.00 C ATOM 733 CG ARG A 50 5.422 17.052 1.870 1.00 0.00 C ATOM 734 CD ARG A 50 5.762 18.534 1.697 1.00 0.00 C ATOM 735 NE ARG A 50 6.920 18.890 2.548 1.00 0.00 N ATOM 736 CZ ARG A 50 8.180 18.456 2.332 1.00 0.00 C ATOM 737 NH1 ARG A 50 8.455 17.645 1.289 1.00 0.00 N ATOM 738 NH2 ARG A 50 9.137 18.837 3.157 1.00 0.00 N ATOM 0 H ARG A 50 2.899 17.548 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 50 4.108 15.180 0.802 1.00 0.00 H new ATOM 0 HB2 ARG A 50 3.412 17.816 2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 50 3.772 16.506 3.149 1.00 0.00 H new ATOM 0 HG2 ARG A 50 5.995 16.638 2.700 1.00 0.00 H new ATOM 0 HG3 ARG A 50 5.714 16.501 0.976 1.00 0.00 H new ATOM 0 HD2 ARG A 50 5.990 18.744 0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 50 4.901 19.147 1.965 1.00 0.00 H new ATOM 0 HE ARG A 50 6.756 19.502 3.348 1.00 0.00 H new ATOM 0 HH11 ARG A 50 7.708 17.356 0.657 1.00 0.00 H new ATOM 0 HH12 ARG A 50 9.410 17.321 1.132 1.00 0.00 H new ATOM 0 HH21 ARG A 50 8.919 19.450 3.943 1.00 0.00 H new ATOM 0 HH22 ARG A 50 10.095 18.519 3.009 1.00 0.00 H new ATOM 752 N THR A 51 1.256 15.795 2.376 1.00 0.00 N ATOM 753 CA THR A 51 0.143 15.172 3.073 1.00 0.00 C ATOM 754 C THR A 51 -0.286 13.891 2.355 1.00 0.00 C ATOM 755 O THR A 51 -0.471 12.853 2.989 1.00 0.00 O ATOM 756 CB THR A 51 -0.979 16.206 3.192 1.00 0.00 C ATOM 757 OG1 THR A 51 -0.462 17.175 4.100 1.00 0.00 O ATOM 758 CG2 THR A 51 -2.215 15.651 3.902 1.00 0.00 C ATOM 0 H THR A 51 1.221 16.814 2.341 1.00 0.00 H new ATOM 0 HA THR A 51 0.429 14.864 4.079 1.00 0.00 H new ATOM 0 HB THR A 51 -1.259 16.554 2.198 1.00 0.00 H new ATOM 0 HG1 THR A 51 -0.336 18.027 3.632 1.00 0.00 H new ATOM 0 HG21 THR A 51 -2.980 16.425 3.959 1.00 0.00 H new ATOM 0 HG22 THR A 51 -2.603 14.798 3.344 1.00 0.00 H new ATOM 0 HG23 THR A 51 -1.944 15.333 4.909 1.00 0.00 H new ATOM 766 N GLN A 52 -0.432 14.005 1.043 1.00 0.00 N ATOM 767 CA GLN A 52 -0.834 12.869 0.234 1.00 0.00 C ATOM 768 C GLN A 52 0.191 11.740 0.355 1.00 0.00 C ATOM 769 O GLN A 52 -0.161 10.612 0.696 1.00 0.00 O ATOM 770 CB GLN A 52 -1.029 13.279 -1.227 1.00 0.00 C ATOM 771 CG GLN A 52 -2.495 13.607 -1.515 1.00 0.00 C ATOM 772 CD GLN A 52 -3.118 12.565 -2.447 1.00 0.00 C ATOM 773 OE1 GLN A 52 -3.908 11.726 -2.044 1.00 0.00 O ATOM 774 NE2 GLN A 52 -2.720 12.664 -3.712 1.00 0.00 N ATOM 0 H GLN A 52 -0.279 14.868 0.521 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.791 12.504 0.606 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -0.408 14.147 -1.451 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -0.698 12.473 -1.882 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -3.054 13.644 -0.580 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.568 14.595 -1.969 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -2.056 13.390 -3.982 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -3.079 12.014 -4.412 1.00 0.00 H new ATOM 783 N PHE A 53 1.437 12.083 0.068 1.00 0.00 N ATOM 784 CA PHE A 53 2.517 11.112 0.140 1.00 0.00 C ATOM 785 C PHE A 53 2.414 10.274 1.416 1.00 0.00 C ATOM 786 O PHE A 53 2.293 9.051 1.353 1.00 0.00 O ATOM 787 CB PHE A 53 3.827 11.901 0.165 1.00 0.00 C ATOM 788 CG PHE A 53 5.081 11.024 0.172 1.00 0.00 C ATOM 789 CD1 PHE A 53 5.080 9.831 -0.482 1.00 0.00 C ATOM 790 CD2 PHE A 53 6.195 11.437 0.833 1.00 0.00 C ATOM 791 CE1 PHE A 53 6.243 9.017 -0.475 1.00 0.00 C ATOM 792 CE2 PHE A 53 7.359 10.623 0.840 1.00 0.00 C ATOM 793 CZ PHE A 53 7.359 9.430 0.186 1.00 0.00 C ATOM 0 H PHE A 53 1.724 13.020 -0.215 1.00 0.00 H new ATOM 0 HA PHE A 53 2.468 10.435 -0.713 1.00 0.00 H new ATOM 0 HB2 PHE A 53 3.860 12.558 -0.704 1.00 0.00 H new ATOM 0 HB3 PHE A 53 3.838 12.540 1.048 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.195 9.503 -1.006 1.00 0.00 H new ATOM 0 HD2 PHE A 53 6.195 12.384 1.353 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.242 8.070 -0.994 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.244 10.951 1.365 1.00 0.00 H new ATOM 0 HZ PHE A 53 8.244 8.811 0.191 1.00 0.00 H new ATOM 803 N PHE A 54 2.468 10.964 2.545 1.00 0.00 N ATOM 804 CA PHE A 54 2.384 10.300 3.834 1.00 0.00 C ATOM 805 C PHE A 54 1.293 9.227 3.827 1.00 0.00 C ATOM 806 O PHE A 54 1.542 8.080 4.198 1.00 0.00 O ATOM 807 CB PHE A 54 2.023 11.369 4.868 1.00 0.00 C ATOM 808 CG PHE A 54 2.683 11.164 6.232 1.00 0.00 C ATOM 809 CD1 PHE A 54 3.933 11.647 6.463 1.00 0.00 C ATOM 810 CD2 PHE A 54 2.020 10.497 7.214 1.00 0.00 C ATOM 811 CE1 PHE A 54 4.546 11.457 7.730 1.00 0.00 C ATOM 812 CE2 PHE A 54 2.633 10.305 8.481 1.00 0.00 C ATOM 813 CZ PHE A 54 3.882 10.790 8.713 1.00 0.00 C ATOM 0 H PHE A 54 2.569 11.978 2.594 1.00 0.00 H new ATOM 0 HA PHE A 54 3.333 9.816 4.065 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.310 12.346 4.480 1.00 0.00 H new ATOM 0 HB3 PHE A 54 0.941 11.383 4.998 1.00 0.00 H new ATOM 0 HD1 PHE A 54 4.460 12.175 5.682 1.00 0.00 H new ATOM 0 HD2 PHE A 54 1.027 10.113 7.031 1.00 0.00 H new ATOM 0 HE1 PHE A 54 5.538 11.842 7.913 1.00 0.00 H new ATOM 0 HE2 PHE A 54 2.107 9.774 9.260 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.347 10.646 9.677 1.00 0.00 H new ATOM 823 N ILE A 55 0.108 9.636 3.401 1.00 0.00 N ATOM 824 CA ILE A 55 -1.023 8.724 3.341 1.00 0.00 C ATOM 825 C ILE A 55 -0.709 7.595 2.356 1.00 0.00 C ATOM 826 O ILE A 55 -1.046 6.438 2.605 1.00 0.00 O ATOM 827 CB ILE A 55 -2.308 9.486 3.014 1.00 0.00 C ATOM 828 CG1 ILE A 55 -2.895 10.135 4.269 1.00 0.00 C ATOM 829 CG2 ILE A 55 -3.320 8.577 2.312 1.00 0.00 C ATOM 830 CD1 ILE A 55 -3.332 11.574 3.988 1.00 0.00 C ATOM 0 H ILE A 55 -0.095 10.587 3.094 1.00 0.00 H new ATOM 0 HA ILE A 55 -1.193 8.262 4.313 1.00 0.00 H new ATOM 0 HB ILE A 55 -2.062 10.290 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.748 9.554 4.618 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.154 10.126 5.068 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.225 9.143 2.090 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -2.890 8.202 1.383 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -3.567 7.738 2.962 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.746 12.013 4.896 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.472 12.158 3.662 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.091 11.578 3.205 1.00 0.00 H new ATOM 842 N VAL A 56 -0.068 7.971 1.260 1.00 0.00 N ATOM 843 CA VAL A 56 0.295 7.005 0.236 1.00 0.00 C ATOM 844 C VAL A 56 1.194 5.931 0.851 1.00 0.00 C ATOM 845 O VAL A 56 0.803 4.768 0.946 1.00 0.00 O ATOM 846 CB VAL A 56 0.943 7.719 -0.952 1.00 0.00 C ATOM 847 CG1 VAL A 56 1.283 6.728 -2.068 1.00 0.00 C ATOM 848 CG2 VAL A 56 0.045 8.843 -1.472 1.00 0.00 C ATOM 0 H VAL A 56 0.210 8.931 1.058 1.00 0.00 H new ATOM 0 HA VAL A 56 -0.593 6.504 -0.149 1.00 0.00 H new ATOM 0 HB VAL A 56 1.875 8.167 -0.606 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.742 7.261 -2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 56 1.978 5.978 -1.690 1.00 0.00 H new ATOM 0 HG13 VAL A 56 0.371 6.238 -2.410 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.529 9.334 -2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.910 8.427 -1.793 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.125 9.570 -0.678 1.00 0.00 H new ATOM 858 N MET A 57 2.382 6.358 1.254 1.00 0.00 N ATOM 859 CA MET A 57 3.340 5.447 1.856 1.00 0.00 C ATOM 860 C MET A 57 2.652 4.504 2.846 1.00 0.00 C ATOM 861 O MET A 57 3.072 3.360 3.014 1.00 0.00 O ATOM 862 CB MET A 57 4.420 6.250 2.583 1.00 0.00 C ATOM 863 CG MET A 57 5.725 6.264 1.782 1.00 0.00 C ATOM 864 SD MET A 57 7.049 6.917 2.784 1.00 0.00 S ATOM 865 CE MET A 57 8.456 6.273 1.896 1.00 0.00 C ATOM 0 H MET A 57 2.703 7.323 1.175 1.00 0.00 H new ATOM 0 HA MET A 57 3.791 4.848 1.065 1.00 0.00 H new ATOM 0 HB2 MET A 57 4.075 7.272 2.740 1.00 0.00 H new ATOM 0 HB3 MET A 57 4.598 5.818 3.568 1.00 0.00 H new ATOM 0 HG2 MET A 57 5.971 5.254 1.454 1.00 0.00 H new ATOM 0 HG3 MET A 57 5.604 6.871 0.884 1.00 0.00 H new ATOM 0 HE1 MET A 57 9.374 6.589 2.391 1.00 0.00 H new ATOM 0 HE2 MET A 57 8.409 5.184 1.880 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.446 6.652 0.874 1.00 0.00 H new ATOM 875 N GLY A 58 1.605 5.019 3.476 1.00 0.00 N ATOM 876 CA GLY A 58 0.855 4.238 4.444 1.00 0.00 C ATOM 877 C GLY A 58 -0.028 3.202 3.747 1.00 0.00 C ATOM 878 O GLY A 58 -0.127 2.061 4.197 1.00 0.00 O ATOM 0 H GLY A 58 1.259 5.968 3.334 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.544 3.736 5.123 1.00 0.00 H new ATOM 0 HA3 GLY A 58 0.236 4.900 5.050 1.00 0.00 H new ATOM 882 N LEU A 59 -0.647 3.637 2.658 1.00 0.00 N ATOM 883 CA LEU A 59 -1.520 2.761 1.894 1.00 0.00 C ATOM 884 C LEU A 59 -0.669 1.837 1.020 1.00 0.00 C ATOM 885 O LEU A 59 -1.192 0.921 0.386 1.00 0.00 O ATOM 886 CB LEU A 59 -2.545 3.580 1.107 1.00 0.00 C ATOM 887 CG LEU A 59 -3.949 3.655 1.711 1.00 0.00 C ATOM 888 CD1 LEU A 59 -4.344 5.104 2.002 1.00 0.00 C ATOM 889 CD2 LEU A 59 -4.969 2.951 0.814 1.00 0.00 C ATOM 0 H LEU A 59 -0.561 4.583 2.287 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.100 2.124 2.562 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -2.163 4.595 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -2.624 3.160 0.104 1.00 0.00 H new ATOM 0 HG LEU A 59 -3.940 3.127 2.664 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -5.346 5.129 2.431 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -3.636 5.539 2.708 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.331 5.678 1.075 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.959 3.019 1.266 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -4.984 3.429 -0.165 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.692 1.903 0.702 1.00 0.00 H new ATOM 901 N VAL A 60 0.628 2.110 1.013 1.00 0.00 N ATOM 902 CA VAL A 60 1.556 1.315 0.227 1.00 0.00 C ATOM 903 C VAL A 60 2.034 0.125 1.061 1.00 0.00 C ATOM 904 O VAL A 60 2.202 -0.977 0.539 1.00 0.00 O ATOM 905 CB VAL A 60 2.704 2.194 -0.274 1.00 0.00 C ATOM 906 CG1 VAL A 60 3.803 1.346 -0.917 1.00 0.00 C ATOM 907 CG2 VAL A 60 2.194 3.260 -1.245 1.00 0.00 C ATOM 0 H VAL A 60 1.058 2.871 1.539 1.00 0.00 H new ATOM 0 HA VAL A 60 1.062 0.914 -0.658 1.00 0.00 H new ATOM 0 HB VAL A 60 3.136 2.705 0.587 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.607 1.995 -1.265 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.196 0.643 -0.183 1.00 0.00 H new ATOM 0 HG13 VAL A 60 3.390 0.795 -1.762 1.00 0.00 H new ATOM 0 HG21 VAL A 60 3.030 3.871 -1.586 1.00 0.00 H new ATOM 0 HG22 VAL A 60 1.724 2.777 -2.102 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.464 3.893 -0.740 1.00 0.00 H new ATOM 917 N ASN A 61 2.240 0.386 2.343 1.00 0.00 N ATOM 918 CA ASN A 61 2.696 -0.650 3.255 1.00 0.00 C ATOM 919 C ASN A 61 1.486 -1.287 3.941 1.00 0.00 C ATOM 920 O ASN A 61 1.616 -2.311 4.610 1.00 0.00 O ATOM 921 CB ASN A 61 3.604 -0.069 4.340 1.00 0.00 C ATOM 922 CG ASN A 61 5.072 -0.122 3.912 1.00 0.00 C ATOM 923 OD1 ASN A 61 5.267 0.106 2.617 1.00 0.00 O flip ATOM 924 ND2 ASN A 61 5.969 -0.354 4.707 1.00 0.00 N flip ATOM 0 H ASN A 61 2.100 1.300 2.773 1.00 0.00 H new ATOM 0 HA ASN A 61 3.253 -1.387 2.677 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.318 0.963 4.545 1.00 0.00 H new ATOM 0 HB3 ASN A 61 3.471 -0.626 5.267 1.00 0.00 H new ATOM 0 HD21 ASN A 61 5.750 -0.520 5.689 1.00 0.00 H new ATOM 0 HD22 ASN A 61 6.938 -0.381 4.389 1.00 0.00 H new ATOM 931 N ALA A 62 0.337 -0.654 3.753 1.00 0.00 N ATOM 932 CA ALA A 62 -0.895 -1.146 4.346 1.00 0.00 C ATOM 933 C ALA A 62 -1.607 -2.060 3.347 1.00 0.00 C ATOM 934 O ALA A 62 -2.166 -3.088 3.729 1.00 0.00 O ATOM 935 CB ALA A 62 -1.762 0.037 4.776 1.00 0.00 C ATOM 0 H ALA A 62 0.233 0.196 3.198 1.00 0.00 H new ATOM 0 HA ALA A 62 -0.684 -1.735 5.238 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -2.686 -0.332 5.221 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.221 0.637 5.508 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.998 0.651 3.906 1.00 0.00 H new ATOM 941 N ILE A 63 -1.565 -1.653 2.087 1.00 0.00 N ATOM 942 CA ILE A 63 -2.200 -2.421 1.030 1.00 0.00 C ATOM 943 C ILE A 63 -1.766 -3.885 1.138 1.00 0.00 C ATOM 944 O ILE A 63 -2.601 -4.787 1.114 1.00 0.00 O ATOM 945 CB ILE A 63 -1.913 -1.794 -0.335 1.00 0.00 C ATOM 946 CG1 ILE A 63 -3.035 -0.838 -0.747 1.00 0.00 C ATOM 947 CG2 ILE A 63 -1.662 -2.872 -1.392 1.00 0.00 C ATOM 948 CD1 ILE A 63 -2.768 -0.242 -2.130 1.00 0.00 C ATOM 0 H ILE A 63 -1.101 -0.800 1.774 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.284 -2.400 1.143 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.000 -1.203 -0.254 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.986 -1.370 -0.754 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -3.123 -0.037 -0.013 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -1.461 -2.399 -2.353 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -0.804 -3.477 -1.098 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -2.542 -3.509 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.580 0.433 -2.398 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -1.828 0.310 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -2.705 -1.044 -2.866 1.00 0.00 H new ATOM 960 N PRO A 64 -0.425 -4.078 1.258 1.00 0.00 N ATOM 961 CA PRO A 64 0.131 -5.417 1.370 1.00 0.00 C ATOM 962 C PRO A 64 -0.112 -5.996 2.765 1.00 0.00 C ATOM 963 O PRO A 64 -0.656 -7.091 2.900 1.00 0.00 O ATOM 964 CB PRO A 64 1.606 -5.259 1.042 1.00 0.00 C ATOM 965 CG PRO A 64 1.916 -3.780 1.214 1.00 0.00 C ATOM 966 CD PRO A 64 0.594 -3.033 1.290 1.00 0.00 C ATOM 0 HA PRO A 64 -0.341 -6.127 0.690 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.221 -5.867 1.706 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.817 -5.586 0.024 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.500 -3.615 2.119 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.513 -3.415 0.378 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.526 -2.441 2.203 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.480 -2.343 0.454 1.00 0.00 H new ATOM 974 N MET A 65 0.301 -5.235 3.768 1.00 0.00 N ATOM 975 CA MET A 65 0.135 -5.661 5.147 1.00 0.00 C ATOM 976 C MET A 65 -1.244 -6.284 5.367 1.00 0.00 C ATOM 977 O MET A 65 -1.359 -7.351 5.967 1.00 0.00 O ATOM 978 CB MET A 65 0.304 -4.456 6.076 1.00 0.00 C ATOM 979 CG MET A 65 1.721 -4.402 6.650 1.00 0.00 C ATOM 980 SD MET A 65 1.695 -3.655 8.271 1.00 0.00 S ATOM 981 CE MET A 65 2.055 -1.961 7.838 1.00 0.00 C ATOM 0 H MET A 65 0.750 -4.326 3.653 1.00 0.00 H new ATOM 0 HA MET A 65 0.892 -6.413 5.369 1.00 0.00 H new ATOM 0 HB2 MET A 65 0.094 -3.537 5.528 1.00 0.00 H new ATOM 0 HB3 MET A 65 -0.420 -4.514 6.889 1.00 0.00 H new ATOM 0 HG2 MET A 65 2.136 -5.408 6.711 1.00 0.00 H new ATOM 0 HG3 MET A 65 2.369 -3.829 5.987 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.077 -1.351 8.741 1.00 0.00 H new ATOM 0 HE2 MET A 65 3.025 -1.910 7.343 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.284 -1.586 7.165 1.00 0.00 H new ATOM 991 N ILE A 66 -2.257 -5.593 4.867 1.00 0.00 N ATOM 992 CA ILE A 66 -3.626 -6.066 5.000 1.00 0.00 C ATOM 993 C ILE A 66 -3.861 -7.214 4.018 1.00 0.00 C ATOM 994 O ILE A 66 -4.655 -8.114 4.289 1.00 0.00 O ATOM 995 CB ILE A 66 -4.612 -4.907 4.839 1.00 0.00 C ATOM 996 CG1 ILE A 66 -4.390 -3.844 5.916 1.00 0.00 C ATOM 997 CG2 ILE A 66 -6.055 -5.414 4.821 1.00 0.00 C ATOM 998 CD1 ILE A 66 -4.585 -2.437 5.348 1.00 0.00 C ATOM 0 H ILE A 66 -2.158 -4.709 4.369 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.797 -6.462 6.001 1.00 0.00 H new ATOM 0 HB ILE A 66 -4.426 -4.431 3.876 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -5.084 -4.006 6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -3.383 -3.939 6.323 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -6.736 -4.570 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -6.188 -6.104 3.988 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -6.271 -5.929 5.757 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -4.421 -1.701 6.135 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -3.873 -2.269 4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -5.600 -2.337 4.964 1.00 0.00 H new ATOM 1010 N ALA A 67 -3.156 -7.148 2.899 1.00 0.00 N ATOM 1011 CA ALA A 67 -3.278 -8.172 1.876 1.00 0.00 C ATOM 1012 C ALA A 67 -2.841 -9.520 2.453 1.00 0.00 C ATOM 1013 O ALA A 67 -3.670 -10.400 2.680 1.00 0.00 O ATOM 1014 CB ALA A 67 -2.456 -7.770 0.649 1.00 0.00 C ATOM 0 H ALA A 67 -2.498 -6.401 2.678 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.315 -8.271 1.556 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -2.548 -8.539 -0.118 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -2.825 -6.822 0.259 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.409 -7.663 0.932 1.00 0.00 H new ATOM 1020 N VAL A 68 -1.541 -9.639 2.675 1.00 0.00 N ATOM 1021 CA VAL A 68 -0.984 -10.864 3.223 1.00 0.00 C ATOM 1022 C VAL A 68 -1.481 -11.049 4.658 1.00 0.00 C ATOM 1023 O VAL A 68 -1.584 -12.175 5.144 1.00 0.00 O ATOM 1024 CB VAL A 68 0.542 -10.838 3.117 1.00 0.00 C ATOM 1025 CG1 VAL A 68 1.144 -12.177 3.550 1.00 0.00 C ATOM 1026 CG2 VAL A 68 0.988 -10.468 1.701 1.00 0.00 C ATOM 0 H VAL A 68 -0.857 -8.907 2.485 1.00 0.00 H new ATOM 0 HA VAL A 68 -1.322 -11.727 2.649 1.00 0.00 H new ATOM 0 HB VAL A 68 0.912 -10.069 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 68 2.230 -12.132 3.465 1.00 0.00 H new ATOM 0 HG12 VAL A 68 0.869 -12.382 4.585 1.00 0.00 H new ATOM 0 HG13 VAL A 68 0.763 -12.972 2.909 1.00 0.00 H new ATOM 0 HG21 VAL A 68 2.077 -10.457 1.654 1.00 0.00 H new ATOM 0 HG22 VAL A 68 0.602 -11.202 0.994 1.00 0.00 H new ATOM 0 HG23 VAL A 68 0.604 -9.481 1.445 1.00 0.00 H new ATOM 1036 N GLY A 69 -1.776 -9.926 5.297 1.00 0.00 N ATOM 1037 CA GLY A 69 -2.260 -9.949 6.667 1.00 0.00 C ATOM 1038 C GLY A 69 -3.500 -10.836 6.795 1.00 0.00 C ATOM 1039 O GLY A 69 -3.488 -11.825 7.526 1.00 0.00 O ATOM 0 H GLY A 69 -1.689 -8.994 4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -1.475 -10.317 7.328 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.499 -8.935 6.989 1.00 0.00 H new ATOM 1043 N LEU A 70 -4.541 -10.450 6.073 1.00 0.00 N ATOM 1044 CA LEU A 70 -5.787 -11.197 6.097 1.00 0.00 C ATOM 1045 C LEU A 70 -5.520 -12.640 5.662 1.00 0.00 C ATOM 1046 O LEU A 70 -5.900 -13.581 6.356 1.00 0.00 O ATOM 1047 CB LEU A 70 -6.853 -10.489 5.257 1.00 0.00 C ATOM 1048 CG LEU A 70 -8.112 -10.049 6.007 1.00 0.00 C ATOM 1049 CD1 LEU A 70 -8.939 -9.075 5.164 1.00 0.00 C ATOM 1050 CD2 LEU A 70 -8.934 -11.257 6.457 1.00 0.00 C ATOM 0 H LEU A 70 -4.547 -9.629 5.467 1.00 0.00 H new ATOM 0 HA LEU A 70 -6.187 -11.237 7.110 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -6.401 -9.610 4.798 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -7.150 -11.154 4.447 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.804 -9.517 6.907 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.828 -8.777 5.720 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.341 -8.192 4.936 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -9.237 -9.561 4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -9.823 -10.915 6.987 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.233 -11.839 5.585 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -8.333 -11.880 7.120 1.00 0.00 H new ATOM 1062 N GLY A 71 -4.868 -12.767 4.515 1.00 0.00 N ATOM 1063 CA GLY A 71 -4.546 -14.079 3.980 1.00 0.00 C ATOM 1064 C GLY A 71 -3.948 -14.981 5.061 1.00 0.00 C ATOM 1065 O GLY A 71 -4.330 -16.144 5.185 1.00 0.00 O ATOM 0 H GLY A 71 -4.554 -11.984 3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -5.446 -14.541 3.573 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -3.840 -13.976 3.156 1.00 0.00 H new ATOM 1069 N LEU A 72 -3.022 -14.411 5.817 1.00 0.00 N ATOM 1070 CA LEU A 72 -2.368 -15.149 6.884 1.00 0.00 C ATOM 1071 C LEU A 72 -3.398 -15.506 7.957 1.00 0.00 C ATOM 1072 O LEU A 72 -3.627 -16.681 8.236 1.00 0.00 O ATOM 1073 CB LEU A 72 -1.167 -14.366 7.420 1.00 0.00 C ATOM 1074 CG LEU A 72 0.208 -14.975 7.144 1.00 0.00 C ATOM 1075 CD1 LEU A 72 1.299 -14.250 7.935 1.00 0.00 C ATOM 1076 CD2 LEU A 72 0.207 -16.480 7.418 1.00 0.00 C ATOM 0 H LEU A 72 -2.709 -13.446 5.712 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.963 -16.088 6.505 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -1.191 -13.364 6.991 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -1.283 -14.254 8.498 1.00 0.00 H new ATOM 0 HG LEU A 72 0.434 -14.840 6.086 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.267 -14.703 7.720 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.319 -13.199 7.648 1.00 0.00 H new ATOM 0 HD13 LEU A 72 1.090 -14.331 9.002 1.00 0.00 H new ATOM 0 HD21 LEU A 72 1.197 -16.888 7.214 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -0.051 -16.660 8.462 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -0.526 -16.967 6.774 1.00 0.00 H new ATOM 1088 N TYR A 73 -3.992 -14.469 8.531 1.00 0.00 N ATOM 1089 CA TYR A 73 -4.993 -14.658 9.566 1.00 0.00 C ATOM 1090 C TYR A 73 -5.916 -15.830 9.229 1.00 0.00 C ATOM 1091 O TYR A 73 -6.213 -16.658 10.089 1.00 0.00 O ATOM 1092 CB TYR A 73 -5.815 -13.369 9.599 1.00 0.00 C ATOM 1093 CG TYR A 73 -7.223 -13.543 10.172 1.00 0.00 C ATOM 1094 CD1 TYR A 73 -8.254 -13.961 9.355 1.00 0.00 C ATOM 1095 CD2 TYR A 73 -7.461 -13.282 11.507 1.00 0.00 C ATOM 1096 CE1 TYR A 73 -9.578 -14.125 9.896 1.00 0.00 C ATOM 1097 CE2 TYR A 73 -8.786 -13.447 12.047 1.00 0.00 C ATOM 1098 CZ TYR A 73 -9.779 -13.860 11.215 1.00 0.00 C ATOM 1099 OH TYR A 73 -11.030 -14.015 11.724 1.00 0.00 O ATOM 0 H TYR A 73 -3.798 -13.495 8.298 1.00 0.00 H new ATOM 0 HA TYR A 73 -4.519 -14.875 10.523 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.282 -12.625 10.192 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.892 -12.974 8.586 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -8.068 -14.165 8.311 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.654 -12.954 12.146 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -10.394 -14.451 9.268 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -8.986 -13.247 13.089 1.00 0.00 H new ATOM 0 HH TYR A 73 -11.025 -13.791 12.678 1.00 0.00 H new ATOM 1109 N VAL A 74 -6.345 -15.863 7.976 1.00 0.00 N ATOM 1110 CA VAL A 74 -7.228 -16.920 7.514 1.00 0.00 C ATOM 1111 C VAL A 74 -6.504 -18.264 7.613 1.00 0.00 C ATOM 1112 O VAL A 74 -7.079 -19.251 8.067 1.00 0.00 O ATOM 1113 CB VAL A 74 -7.722 -16.609 6.100 1.00 0.00 C ATOM 1114 CG1 VAL A 74 -8.495 -17.794 5.517 1.00 0.00 C ATOM 1115 CG2 VAL A 74 -8.572 -15.337 6.083 1.00 0.00 C ATOM 0 H VAL A 74 -6.097 -15.174 7.266 1.00 0.00 H new ATOM 0 HA VAL A 74 -8.114 -16.981 8.147 1.00 0.00 H new ATOM 0 HB VAL A 74 -6.849 -16.436 5.470 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -8.835 -17.547 4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -7.845 -18.668 5.476 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -9.356 -18.012 6.148 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -8.910 -15.139 5.066 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -9.436 -15.468 6.734 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -7.976 -14.496 6.437 1.00 0.00 H new ATOM 1125 N MET A 75 -5.251 -18.258 7.181 1.00 0.00 N ATOM 1126 CA MET A 75 -4.442 -19.465 7.215 1.00 0.00 C ATOM 1127 C MET A 75 -4.306 -19.994 8.644 1.00 0.00 C ATOM 1128 O MET A 75 -4.359 -21.201 8.870 1.00 0.00 O ATOM 1129 CB MET A 75 -3.054 -19.165 6.646 1.00 0.00 C ATOM 1130 CG MET A 75 -2.317 -20.457 6.288 1.00 0.00 C ATOM 1131 SD MET A 75 -0.554 -20.202 6.391 1.00 0.00 S ATOM 1132 CE MET A 75 0.022 -21.695 5.599 1.00 0.00 C ATOM 0 H MET A 75 -4.776 -17.437 6.806 1.00 0.00 H new ATOM 0 HA MET A 75 -4.934 -20.228 6.612 1.00 0.00 H new ATOM 0 HB2 MET A 75 -3.148 -18.538 5.759 1.00 0.00 H new ATOM 0 HB3 MET A 75 -2.473 -18.600 7.375 1.00 0.00 H new ATOM 0 HG2 MET A 75 -2.617 -21.256 6.965 1.00 0.00 H new ATOM 0 HG3 MET A 75 -2.589 -20.773 5.281 1.00 0.00 H new ATOM 0 HE1 MET A 75 1.112 -21.699 5.578 1.00 0.00 H new ATOM 0 HE2 MET A 75 -0.333 -22.562 6.155 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.360 -21.737 4.579 1.00 0.00 H new ATOM 1142 N PHE A 76 -4.134 -19.064 9.571 1.00 0.00 N ATOM 1143 CA PHE A 76 -3.990 -19.421 10.972 1.00 0.00 C ATOM 1144 C PHE A 76 -5.353 -19.689 11.613 1.00 0.00 C ATOM 1145 O PHE A 76 -5.430 -20.232 12.714 1.00 0.00 O ATOM 1146 CB PHE A 76 -3.337 -18.229 11.673 1.00 0.00 C ATOM 1147 CG PHE A 76 -2.818 -18.540 13.078 1.00 0.00 C ATOM 1148 CD1 PHE A 76 -1.866 -19.493 13.256 1.00 0.00 C ATOM 1149 CD2 PHE A 76 -3.311 -17.863 14.151 1.00 0.00 C ATOM 1150 CE1 PHE A 76 -1.385 -19.782 14.561 1.00 0.00 C ATOM 1151 CE2 PHE A 76 -2.831 -18.153 15.455 1.00 0.00 C ATOM 1152 CZ PHE A 76 -1.878 -19.106 15.633 1.00 0.00 C ATOM 0 H PHE A 76 -4.091 -18.063 9.379 1.00 0.00 H new ATOM 0 HA PHE A 76 -3.390 -20.326 11.065 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -2.508 -17.871 11.062 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -4.061 -17.417 11.736 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -1.475 -20.031 12.405 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.067 -17.105 14.010 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -0.628 -20.539 14.702 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.223 -17.616 16.306 1.00 0.00 H new ATOM 0 HZ PHE A 76 -1.513 -19.326 16.625 1.00 0.00 H new ATOM 1162 N ALA A 77 -6.396 -19.297 10.894 1.00 0.00 N ATOM 1163 CA ALA A 77 -7.752 -19.488 11.379 1.00 0.00 C ATOM 1164 C ALA A 77 -8.116 -20.972 11.291 1.00 0.00 C ATOM 1165 O ALA A 77 -8.641 -21.543 12.246 1.00 0.00 O ATOM 1166 CB ALA A 77 -8.711 -18.604 10.578 1.00 0.00 C ATOM 0 H ALA A 77 -6.329 -18.849 9.980 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.831 -19.190 12.425 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.728 -18.748 10.942 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.427 -17.558 10.697 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -8.661 -18.876 9.524 1.00 0.00 H new ATOM 1172 N VAL A 78 -7.825 -21.552 10.137 1.00 0.00 N ATOM 1173 CA VAL A 78 -8.114 -22.957 9.912 1.00 0.00 C ATOM 1174 C VAL A 78 -7.128 -23.812 10.711 1.00 0.00 C ATOM 1175 O VAL A 78 -7.468 -24.908 11.155 1.00 0.00 O ATOM 1176 CB VAL A 78 -8.091 -23.264 8.413 1.00 0.00 C ATOM 1177 CG1 VAL A 78 -6.666 -23.191 7.860 1.00 0.00 C ATOM 1178 CG2 VAL A 78 -8.723 -24.626 8.121 1.00 0.00 C ATOM 0 H VAL A 78 -7.392 -21.074 9.347 1.00 0.00 H new ATOM 0 HA VAL A 78 -9.116 -23.200 10.265 1.00 0.00 H new ATOM 0 HB VAL A 78 -8.686 -22.504 7.907 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -6.678 -23.413 6.793 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.265 -22.190 8.018 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -6.038 -23.918 8.375 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -8.693 -24.818 7.049 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -8.168 -25.404 8.645 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -9.759 -24.627 8.461 1.00 0.00 H new ATOM 1188 N ALA A 79 -5.926 -23.278 10.871 1.00 0.00 N ATOM 1189 CA ALA A 79 -4.888 -23.977 11.609 1.00 0.00 C ATOM 1190 C ALA A 79 -4.438 -23.115 12.790 1.00 0.00 C ATOM 1191 O ALA A 79 -5.165 -22.971 13.772 1.00 0.00 O ATOM 1192 CB ALA A 79 -3.735 -24.322 10.666 1.00 0.00 C ATOM 0 H ALA A 79 -5.648 -22.369 10.502 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.270 -24.915 12.013 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -2.956 -24.846 11.220 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -4.101 -24.961 9.862 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -3.324 -23.405 10.243 1.00 0.00 H new