USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 405 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 GLN : amide:sc= -0.254 X(o=-0.52,f=-0.19) USER MOD Set 1.2: A 52 GLN : amide:sc= -0.262 K(o=-0.52,f=-2.4) USER MOD Single : A 10 LYS NZ :NH3+ 136:sc= 0 (180deg=-0.0408) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -174:sc= -0.862 USER MOD Single : A 18 MET CE :methyl -164:sc= -0.0127 (180deg=-0.411) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -0.0218 K(o=-0.022,f=-1.1) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 61:sc= -2.96 USER MOD Single : A 49 LYS NZ :NH3+ -108:sc= 0.0455 (180deg=-0.0166) USER MOD Single : A 50 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 69:sc= 1.33 USER MOD Single : A 59 ASN :FLIP amide:sc= -2.88! F(o=-3.9,f=-2.9!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.375 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.473 7.241 -3.281 1.00 0.00 N ATOM 131 CA LYS A 10 55.062 6.319 -4.307 1.00 0.00 C ATOM 132 C LYS A 10 56.280 5.589 -3.724 1.00 0.00 C ATOM 133 O LYS A 10 57.205 6.203 -3.226 1.00 0.00 O ATOM 134 CB LYS A 10 55.479 7.220 -5.481 1.00 0.00 C ATOM 135 CG LYS A 10 54.922 6.655 -6.793 1.00 0.00 C ATOM 136 CD LYS A 10 53.638 7.397 -7.171 1.00 0.00 C ATOM 137 CE LYS A 10 53.537 7.499 -8.694 1.00 0.00 C ATOM 138 NZ LYS A 10 54.393 8.661 -9.060 1.00 0.00 N ATOM 0 HA LYS A 10 54.353 5.554 -4.624 1.00 0.00 H new ATOM 0 HB2 LYS A 10 55.108 8.233 -5.324 1.00 0.00 H new ATOM 0 HB3 LYS A 10 56.566 7.284 -5.534 1.00 0.00 H new ATOM 0 HG2 LYS A 10 55.661 6.759 -7.588 1.00 0.00 H new ATOM 0 HG3 LYS A 10 54.719 5.590 -6.684 1.00 0.00 H new ATOM 0 HD2 LYS A 10 52.771 6.871 -6.773 1.00 0.00 H new ATOM 0 HD3 LYS A 10 53.637 8.393 -6.728 1.00 0.00 H new ATOM 0 HE2 LYS A 10 53.886 6.585 -9.175 1.00 0.00 H new ATOM 0 HE3 LYS A 10 52.506 7.653 -9.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 54.972 8.418 -9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 53.791 9.478 -9.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 55.015 8.899 -8.261 1.00 0.00 H new ATOM 152 N VAL A 11 56.283 4.282 -3.793 1.00 0.00 N ATOM 153 CA VAL A 11 57.433 3.486 -3.256 1.00 0.00 C ATOM 154 C VAL A 11 57.565 2.187 -4.049 1.00 0.00 C ATOM 155 O VAL A 11 56.626 1.740 -4.671 1.00 0.00 O ATOM 156 CB VAL A 11 57.125 3.185 -1.781 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.319 4.454 -0.951 1.00 0.00 C ATOM 158 CG2 VAL A 11 55.688 2.675 -1.622 1.00 0.00 C ATOM 0 H VAL A 11 55.532 3.726 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 11 58.371 4.034 -3.344 1.00 0.00 H new ATOM 0 HB VAL A 11 57.807 2.410 -1.431 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.101 4.241 0.095 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.350 4.796 -1.044 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.645 5.231 -1.311 1.00 0.00 H new ATOM 0 HG21 VAL A 11 55.490 2.468 -0.570 1.00 0.00 H new ATOM 0 HG22 VAL A 11 54.991 3.433 -1.980 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.560 1.761 -2.202 1.00 0.00 H new ATOM 168 N VAL A 12 58.724 1.586 -4.034 1.00 0.00 N ATOM 169 CA VAL A 12 58.930 0.319 -4.798 1.00 0.00 C ATOM 170 C VAL A 12 58.833 -0.878 -3.825 1.00 0.00 C ATOM 171 O VAL A 12 58.635 -0.705 -2.638 1.00 0.00 O ATOM 172 CB VAL A 12 60.344 0.510 -5.425 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.240 -0.735 -5.313 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.194 0.864 -6.902 1.00 0.00 C ATOM 0 H VAL A 12 59.542 1.919 -3.523 1.00 0.00 H new ATOM 0 HA VAL A 12 58.190 0.113 -5.572 1.00 0.00 H new ATOM 0 HB VAL A 12 60.827 1.309 -4.863 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.208 -0.529 -5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.382 -0.988 -4.262 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.767 -1.571 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.180 0.999 -7.346 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.671 0.059 -7.418 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.623 1.788 -6.999 1.00 0.00 H new ATOM 184 N ALA A 13 58.979 -2.081 -4.324 1.00 0.00 N ATOM 185 CA ALA A 13 58.908 -3.286 -3.445 1.00 0.00 C ATOM 186 C ALA A 13 60.151 -4.158 -3.648 1.00 0.00 C ATOM 187 O ALA A 13 60.561 -4.414 -4.766 1.00 0.00 O ATOM 188 CB ALA A 13 57.659 -4.037 -3.900 1.00 0.00 C ATOM 0 H ALA A 13 59.146 -2.280 -5.311 1.00 0.00 H new ATOM 0 HA ALA A 13 58.866 -3.022 -2.388 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.537 -4.938 -3.299 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.785 -3.398 -3.776 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.762 -4.312 -4.950 1.00 0.00 H new ATOM 194 N LEU A 14 60.752 -4.616 -2.579 1.00 0.00 N ATOM 195 CA LEU A 14 61.969 -5.474 -2.708 1.00 0.00 C ATOM 196 C LEU A 14 61.573 -6.945 -2.855 1.00 0.00 C ATOM 197 O LEU A 14 61.782 -7.551 -3.889 1.00 0.00 O ATOM 198 CB LEU A 14 62.754 -5.260 -1.413 1.00 0.00 C ATOM 199 CG LEU A 14 63.378 -3.863 -1.419 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.940 -3.548 -0.030 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.509 -3.815 -2.448 1.00 0.00 C ATOM 0 H LEU A 14 60.452 -4.433 -1.621 1.00 0.00 H new ATOM 0 HA LEU A 14 62.557 -5.214 -3.588 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.094 -5.371 -0.553 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.532 -6.017 -1.318 1.00 0.00 H new ATOM 0 HG LEU A 14 62.617 -3.127 -1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 14 64.385 -2.553 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 14 63.135 -3.583 0.705 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.701 -4.284 0.230 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.954 -2.820 -2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.269 -4.551 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 14 64.110 -4.039 -3.437 1.00 0.00 H new ATOM 213 N TYR A 15 61.011 -7.520 -1.826 1.00 0.00 N ATOM 214 CA TYR A 15 60.603 -8.957 -1.891 1.00 0.00 C ATOM 215 C TYR A 15 59.078 -9.090 -1.816 1.00 0.00 C ATOM 216 O TYR A 15 58.364 -8.111 -1.717 1.00 0.00 O ATOM 217 CB TYR A 15 61.255 -9.608 -0.671 1.00 0.00 C ATOM 218 CG TYR A 15 62.759 -9.520 -0.795 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.428 -8.366 -0.372 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.481 -10.591 -1.333 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.821 -8.283 -0.487 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.874 -10.509 -1.448 1.00 0.00 C ATOM 223 CZ TYR A 15 65.545 -9.354 -1.025 1.00 0.00 C ATOM 224 OH TYR A 15 66.917 -9.273 -1.139 1.00 0.00 O ATOM 0 H TYR A 15 60.815 -7.056 -0.939 1.00 0.00 H new ATOM 0 HA TYR A 15 60.913 -9.427 -2.824 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.925 -9.109 0.240 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.946 -10.651 -0.594 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.870 -7.540 0.043 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.964 -11.481 -1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.337 -7.392 -0.161 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.431 -11.336 -1.863 1.00 0.00 H new ATOM 0 HH TYR A 15 67.262 -10.102 -1.531 1.00 0.00 H new ATOM 234 N ASP A 16 58.580 -10.301 -1.869 1.00 0.00 N ATOM 235 CA ASP A 16 57.101 -10.516 -1.806 1.00 0.00 C ATOM 236 C ASP A 16 56.591 -10.358 -0.371 1.00 0.00 C ATOM 237 O ASP A 16 57.339 -10.473 0.581 1.00 0.00 O ATOM 238 CB ASP A 16 56.884 -11.949 -2.298 1.00 0.00 C ATOM 239 CG ASP A 16 56.929 -11.978 -3.826 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.057 -11.381 -4.436 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.835 -12.596 -4.361 1.00 0.00 O ATOM 0 H ASP A 16 59.136 -11.152 -1.953 1.00 0.00 H new ATOM 0 HA ASP A 16 56.559 -9.789 -2.411 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.652 -12.605 -1.889 1.00 0.00 H new ATOM 0 HB3 ASP A 16 55.923 -12.324 -1.945 1.00 0.00 H new ATOM 246 N TYR A 17 55.316 -10.089 -0.214 1.00 0.00 N ATOM 247 CA TYR A 17 54.738 -9.914 1.149 1.00 0.00 C ATOM 248 C TYR A 17 53.206 -9.939 1.054 1.00 0.00 C ATOM 249 O TYR A 17 52.544 -8.931 1.200 1.00 0.00 O ATOM 250 CB TYR A 17 55.266 -8.546 1.607 1.00 0.00 C ATOM 251 CG TYR A 17 54.626 -8.122 2.911 1.00 0.00 C ATOM 252 CD1 TYR A 17 55.017 -8.718 4.113 1.00 0.00 C ATOM 253 CD2 TYR A 17 53.652 -7.116 2.912 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.435 -8.306 5.318 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.067 -6.708 4.115 1.00 0.00 C ATOM 256 CZ TYR A 17 53.460 -7.303 5.319 1.00 0.00 C ATOM 257 OH TYR A 17 52.893 -6.897 6.508 1.00 0.00 O ATOM 0 H TYR A 17 54.650 -9.983 -0.979 1.00 0.00 H new ATOM 0 HA TYR A 17 55.015 -10.699 1.853 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.348 -8.593 1.728 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.063 -7.799 0.839 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.767 -9.495 4.112 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.352 -6.655 1.983 1.00 0.00 H new ATOM 0 HE1 TYR A 17 54.739 -8.763 6.248 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.313 -5.935 4.115 1.00 0.00 H new ATOM 0 HH TYR A 17 52.168 -6.263 6.325 1.00 0.00 H new ATOM 267 N MET A 18 52.647 -11.095 0.795 1.00 0.00 N ATOM 268 CA MET A 18 51.160 -11.214 0.674 1.00 0.00 C ATOM 269 C MET A 18 50.469 -10.786 1.978 1.00 0.00 C ATOM 270 O MET A 18 51.115 -10.669 3.001 1.00 0.00 O ATOM 271 CB MET A 18 50.896 -12.695 0.392 1.00 0.00 C ATOM 272 CG MET A 18 50.808 -12.920 -1.118 1.00 0.00 C ATOM 273 SD MET A 18 50.087 -14.547 -1.445 1.00 0.00 S ATOM 274 CE MET A 18 51.502 -15.537 -0.903 1.00 0.00 C ATOM 0 H MET A 18 53.159 -11.967 0.661 1.00 0.00 H new ATOM 0 HA MET A 18 50.768 -10.570 -0.113 1.00 0.00 H new ATOM 0 HB2 MET A 18 51.695 -13.304 0.815 1.00 0.00 H new ATOM 0 HB3 MET A 18 49.968 -13.008 0.871 1.00 0.00 H new ATOM 0 HG2 MET A 18 50.199 -12.142 -1.577 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.800 -12.854 -1.565 1.00 0.00 H new ATOM 0 HE1 MET A 18 51.397 -16.556 -1.275 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.422 -15.102 -1.294 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.541 -15.550 0.186 1.00 0.00 H new ATOM 284 N PRO A 19 49.168 -10.555 1.906 1.00 0.00 N ATOM 285 CA PRO A 19 48.410 -10.129 3.105 1.00 0.00 C ATOM 286 C PRO A 19 48.451 -11.211 4.191 1.00 0.00 C ATOM 287 O PRO A 19 48.956 -12.296 3.979 1.00 0.00 O ATOM 288 CB PRO A 19 46.991 -9.942 2.562 1.00 0.00 C ATOM 289 CG PRO A 19 46.990 -10.265 1.057 1.00 0.00 C ATOM 290 CD PRO A 19 48.394 -10.701 0.643 1.00 0.00 C ATOM 0 HA PRO A 19 48.811 -9.231 3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.296 -10.596 3.089 1.00 0.00 H new ATOM 0 HB3 PRO A 19 46.655 -8.919 2.729 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.271 -11.056 0.842 1.00 0.00 H new ATOM 0 HG3 PRO A 19 46.683 -9.390 0.484 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.408 -11.727 0.276 1.00 0.00 H new ATOM 0 HD3 PRO A 19 48.795 -10.073 -0.152 1.00 0.00 H new ATOM 298 N MET A 20 47.918 -10.916 5.350 1.00 0.00 N ATOM 299 CA MET A 20 47.916 -11.917 6.460 1.00 0.00 C ATOM 300 C MET A 20 46.618 -11.808 7.266 1.00 0.00 C ATOM 301 O MET A 20 45.798 -12.707 7.261 1.00 0.00 O ATOM 302 CB MET A 20 49.118 -11.549 7.331 1.00 0.00 C ATOM 303 CG MET A 20 50.402 -11.673 6.511 1.00 0.00 C ATOM 304 SD MET A 20 51.784 -12.072 7.610 1.00 0.00 S ATOM 305 CE MET A 20 51.695 -13.872 7.442 1.00 0.00 C ATOM 0 H MET A 20 47.483 -10.022 5.576 1.00 0.00 H new ATOM 0 HA MET A 20 47.979 -12.941 6.092 1.00 0.00 H new ATOM 0 HB2 MET A 20 49.011 -10.531 7.706 1.00 0.00 H new ATOM 0 HB3 MET A 20 49.165 -12.205 8.200 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.289 -12.449 5.754 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.601 -10.740 5.983 1.00 0.00 H new ATOM 0 HE1 MET A 20 52.474 -14.333 8.049 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.719 -14.221 7.778 1.00 0.00 H new ATOM 0 HE3 MET A 20 51.838 -14.147 6.397 1.00 0.00 H new ATOM 315 N ASN A 21 46.431 -10.713 7.957 1.00 0.00 N ATOM 316 CA ASN A 21 45.189 -10.534 8.770 1.00 0.00 C ATOM 317 C ASN A 21 44.270 -9.501 8.111 1.00 0.00 C ATOM 318 O ASN A 21 43.834 -8.553 8.737 1.00 0.00 O ATOM 319 CB ASN A 21 45.673 -10.032 10.131 1.00 0.00 C ATOM 320 CG ASN A 21 46.549 -11.102 10.787 1.00 0.00 C ATOM 321 OD1 ASN A 21 46.081 -12.178 11.099 1.00 0.00 O ATOM 322 ND2 ASN A 21 47.810 -10.849 11.010 1.00 0.00 N ATOM 0 H ASN A 21 47.087 -9.932 7.994 1.00 0.00 H new ATOM 0 HA ASN A 21 44.617 -11.458 8.858 1.00 0.00 H new ATOM 0 HB2 ASN A 21 46.238 -9.108 10.010 1.00 0.00 H new ATOM 0 HB3 ASN A 21 44.820 -9.803 10.770 1.00 0.00 H new ATOM 0 HD21 ASN A 21 48.402 -11.555 11.446 1.00 0.00 H new ATOM 0 HD22 ASN A 21 48.203 -9.945 10.748 1.00 0.00 H new ATOM 329 N ALA A 22 43.976 -9.679 6.845 1.00 0.00 N ATOM 330 CA ALA A 22 43.085 -8.715 6.116 1.00 0.00 C ATOM 331 C ALA A 22 43.592 -7.274 6.263 1.00 0.00 C ATOM 332 O ALA A 22 42.841 -6.327 6.124 1.00 0.00 O ATOM 333 CB ALA A 22 41.704 -8.868 6.759 1.00 0.00 C ATOM 0 H ALA A 22 44.317 -10.456 6.279 1.00 0.00 H new ATOM 0 HA ALA A 22 43.062 -8.925 5.047 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.000 -8.191 6.275 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.360 -9.895 6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.768 -8.626 7.820 1.00 0.00 H new ATOM 339 N ASN A 23 44.862 -7.106 6.529 1.00 0.00 N ATOM 340 CA ASN A 23 45.434 -5.734 6.671 1.00 0.00 C ATOM 341 C ASN A 23 46.613 -5.560 5.740 1.00 0.00 C ATOM 342 O ASN A 23 46.681 -4.632 4.960 1.00 0.00 O ATOM 343 CB ASN A 23 45.944 -5.638 8.099 1.00 0.00 C ATOM 344 CG ASN A 23 44.856 -5.055 9.002 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.448 -3.924 8.830 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.365 -5.785 9.967 1.00 0.00 N ATOM 0 H ASN A 23 45.531 -7.866 6.655 1.00 0.00 H new ATOM 0 HA ASN A 23 44.686 -4.977 6.437 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.236 -6.625 8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 23 46.834 -5.010 8.135 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.640 -5.405 10.575 1.00 0.00 H new ATOM 0 HD22 ASN A 23 44.707 -6.735 10.112 1.00 0.00 H new ATOM 353 N ASP A 24 47.567 -6.438 5.861 1.00 0.00 N ATOM 354 CA ASP A 24 48.799 -6.340 5.035 1.00 0.00 C ATOM 355 C ASP A 24 48.463 -6.151 3.549 1.00 0.00 C ATOM 356 O ASP A 24 47.519 -6.724 3.038 1.00 0.00 O ATOM 357 CB ASP A 24 49.546 -7.655 5.277 1.00 0.00 C ATOM 358 CG ASP A 24 50.255 -7.612 6.635 1.00 0.00 C ATOM 359 OD1 ASP A 24 50.516 -6.521 7.120 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.524 -8.675 7.171 1.00 0.00 O ATOM 0 H ASP A 24 47.545 -7.229 6.505 1.00 0.00 H new ATOM 0 HA ASP A 24 49.403 -5.475 5.309 1.00 0.00 H new ATOM 0 HB2 ASP A 24 48.847 -8.491 5.249 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.274 -7.821 4.483 1.00 0.00 H new ATOM 365 N LEU A 25 49.226 -5.339 2.863 1.00 0.00 N ATOM 366 CA LEU A 25 48.957 -5.086 1.419 1.00 0.00 C ATOM 367 C LEU A 25 49.630 -6.161 0.559 1.00 0.00 C ATOM 368 O LEU A 25 50.657 -6.703 0.921 1.00 0.00 O ATOM 369 CB LEU A 25 49.563 -3.704 1.144 1.00 0.00 C ATOM 370 CG LEU A 25 49.091 -3.203 -0.226 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.675 -2.631 -0.105 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.036 -2.107 -0.728 1.00 0.00 C ATOM 0 H LEU A 25 50.028 -4.838 3.245 1.00 0.00 H new ATOM 0 HA LEU A 25 47.894 -5.117 1.180 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.264 -3.002 1.923 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.651 -3.761 1.167 1.00 0.00 H new ATOM 0 HG LEU A 25 49.090 -4.035 -0.930 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.342 -2.276 -1.080 1.00 0.00 H new ATOM 0 HD12 LEU A 25 46.998 -3.408 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.677 -1.802 0.602 1.00 0.00 H new ATOM 0 HD21 LEU A 25 49.698 -1.753 -1.702 1.00 0.00 H new ATOM 0 HD22 LEU A 25 50.039 -1.277 -0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.045 -2.510 -0.819 1.00 0.00 H new ATOM 384 N GLN A 26 49.051 -6.476 -0.574 1.00 0.00 N ATOM 385 CA GLN A 26 49.650 -7.520 -1.463 1.00 0.00 C ATOM 386 C GLN A 26 50.866 -6.952 -2.192 1.00 0.00 C ATOM 387 O GLN A 26 50.785 -6.561 -3.342 1.00 0.00 O ATOM 388 CB GLN A 26 48.549 -7.880 -2.462 1.00 0.00 C ATOM 389 CG GLN A 26 47.342 -8.448 -1.717 1.00 0.00 C ATOM 390 CD GLN A 26 46.080 -8.248 -2.559 1.00 0.00 C ATOM 391 OE1 GLN A 26 45.682 -7.131 -2.822 1.00 0.00 O ATOM 392 NE2 GLN A 26 45.430 -9.292 -2.997 1.00 0.00 N ATOM 0 H GLN A 26 48.189 -6.055 -0.922 1.00 0.00 H new ATOM 0 HA GLN A 26 49.988 -8.392 -0.903 1.00 0.00 H new ATOM 0 HB2 GLN A 26 48.256 -6.996 -3.029 1.00 0.00 H new ATOM 0 HB3 GLN A 26 48.921 -8.610 -3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 26 47.492 -9.508 -1.515 1.00 0.00 H new ATOM 0 HG3 GLN A 26 47.231 -7.952 -0.753 1.00 0.00 H new ATOM 0 HE21 GLN A 26 45.764 -10.230 -2.776 1.00 0.00 H new ATOM 0 HE22 GLN A 26 44.588 -9.169 -3.560 1.00 0.00 H new ATOM 401 N LEU A 27 51.992 -6.909 -1.531 1.00 0.00 N ATOM 402 CA LEU A 27 53.222 -6.373 -2.177 1.00 0.00 C ATOM 403 C LEU A 27 53.846 -7.442 -3.085 1.00 0.00 C ATOM 404 O LEU A 27 53.242 -8.461 -3.361 1.00 0.00 O ATOM 405 CB LEU A 27 54.151 -6.020 -1.013 1.00 0.00 C ATOM 406 CG LEU A 27 53.918 -4.565 -0.581 1.00 0.00 C ATOM 407 CD1 LEU A 27 53.119 -4.534 0.722 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.263 -3.871 -0.359 1.00 0.00 C ATOM 0 H LEU A 27 52.112 -7.224 -0.568 1.00 0.00 H new ATOM 0 HA LEU A 27 53.025 -5.507 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 27 53.968 -6.691 -0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.190 -6.158 -1.311 1.00 0.00 H new ATOM 0 HG LEU A 27 53.363 -4.048 -1.363 1.00 0.00 H new ATOM 0 HD11 LEU A 27 52.956 -3.500 1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 27 52.157 -5.023 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 27 53.673 -5.057 1.501 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.094 -2.839 -0.053 1.00 0.00 H new ATOM 0 HD22 LEU A 27 55.818 -4.394 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.837 -3.885 -1.286 1.00 0.00 H new ATOM 420 N ARG A 28 55.043 -7.208 -3.554 1.00 0.00 N ATOM 421 CA ARG A 28 55.718 -8.191 -4.455 1.00 0.00 C ATOM 422 C ARG A 28 57.184 -7.788 -4.649 1.00 0.00 C ATOM 423 O ARG A 28 57.721 -7.003 -3.888 1.00 0.00 O ATOM 424 CB ARG A 28 54.954 -8.108 -5.783 1.00 0.00 C ATOM 425 CG ARG A 28 54.108 -9.372 -5.974 1.00 0.00 C ATOM 426 CD ARG A 28 54.864 -10.370 -6.857 1.00 0.00 C ATOM 427 NE ARG A 28 54.348 -10.134 -8.234 1.00 0.00 N ATOM 428 CZ ARG A 28 55.060 -10.491 -9.268 1.00 0.00 C ATOM 429 NH1 ARG A 28 56.100 -9.786 -9.620 1.00 0.00 N ATOM 430 NH2 ARG A 28 54.731 -11.555 -9.949 1.00 0.00 N ATOM 0 H ARG A 28 55.588 -6.370 -3.350 1.00 0.00 H new ATOM 0 HA ARG A 28 55.711 -9.203 -4.051 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.314 -7.226 -5.790 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.655 -8.000 -6.611 1.00 0.00 H new ATOM 0 HG2 ARG A 28 53.886 -9.823 -5.007 1.00 0.00 H new ATOM 0 HG3 ARG A 28 53.153 -9.116 -6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 28 55.940 -10.206 -6.805 1.00 0.00 H new ATOM 0 HD3 ARG A 28 54.682 -11.396 -6.538 1.00 0.00 H new ATOM 0 HE ARG A 28 53.438 -9.693 -8.369 1.00 0.00 H new ATOM 0 HH11 ARG A 28 56.357 -8.955 -9.087 1.00 0.00 H new ATOM 0 HH12 ARG A 28 56.656 -10.066 -10.428 1.00 0.00 H new ATOM 0 HH21 ARG A 28 53.918 -12.106 -9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 28 55.287 -11.835 -10.757 1.00 0.00 H new ATOM 444 N LYS A 29 57.832 -8.316 -5.656 1.00 0.00 N ATOM 445 CA LYS A 29 59.257 -7.965 -5.898 1.00 0.00 C ATOM 446 C LYS A 29 59.396 -7.148 -7.184 1.00 0.00 C ATOM 447 O LYS A 29 59.075 -7.609 -8.264 1.00 0.00 O ATOM 448 CB LYS A 29 59.984 -9.309 -6.015 1.00 0.00 C ATOM 449 CG LYS A 29 61.482 -9.074 -6.253 1.00 0.00 C ATOM 450 CD LYS A 29 61.993 -10.039 -7.326 1.00 0.00 C ATOM 451 CE LYS A 29 61.718 -9.452 -8.713 1.00 0.00 C ATOM 452 NZ LYS A 29 61.962 -10.576 -9.660 1.00 0.00 N ATOM 0 H LYS A 29 57.431 -8.977 -6.321 1.00 0.00 H new ATOM 0 HA LYS A 29 59.673 -7.352 -5.099 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.838 -9.891 -5.105 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.563 -9.890 -6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.653 -8.044 -6.566 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.035 -9.221 -5.325 1.00 0.00 H new ATOM 0 HD2 LYS A 29 63.062 -10.210 -7.197 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.501 -11.006 -7.225 1.00 0.00 H new ATOM 0 HE2 LYS A 29 60.695 -9.085 -8.791 1.00 0.00 H new ATOM 0 HE3 LYS A 29 62.376 -8.609 -8.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 61.794 -10.252 -10.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 62.946 -10.900 -9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 61.317 -11.361 -9.440 1.00 0.00 H new ATOM 466 N GLY A 30 59.867 -5.933 -7.066 1.00 0.00 N ATOM 467 CA GLY A 30 60.027 -5.061 -8.267 1.00 0.00 C ATOM 468 C GLY A 30 58.777 -4.193 -8.447 1.00 0.00 C ATOM 469 O GLY A 30 58.822 -3.167 -9.100 1.00 0.00 O ATOM 0 H GLY A 30 60.149 -5.506 -6.184 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.907 -4.428 -8.154 1.00 0.00 H new ATOM 0 HA3 GLY A 30 60.187 -5.674 -9.154 1.00 0.00 H new ATOM 473 N ASP A 31 57.665 -4.590 -7.872 1.00 0.00 N ATOM 474 CA ASP A 31 56.421 -3.780 -8.011 1.00 0.00 C ATOM 475 C ASP A 31 56.533 -2.519 -7.154 1.00 0.00 C ATOM 476 O ASP A 31 57.425 -2.399 -6.342 1.00 0.00 O ATOM 477 CB ASP A 31 55.293 -4.679 -7.502 1.00 0.00 C ATOM 478 CG ASP A 31 54.857 -5.631 -8.616 1.00 0.00 C ATOM 479 OD1 ASP A 31 54.426 -5.147 -9.650 1.00 0.00 O ATOM 480 OD2 ASP A 31 54.959 -6.831 -8.416 1.00 0.00 O ATOM 0 H ASP A 31 57.570 -5.439 -7.314 1.00 0.00 H new ATOM 0 HA ASP A 31 56.244 -3.461 -9.038 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.630 -5.247 -6.635 1.00 0.00 H new ATOM 0 HB3 ASP A 31 54.448 -4.072 -7.177 1.00 0.00 H new ATOM 485 N GLU A 32 55.636 -1.582 -7.326 1.00 0.00 N ATOM 486 CA GLU A 32 55.695 -0.327 -6.510 1.00 0.00 C ATOM 487 C GLU A 32 54.280 0.026 -6.043 1.00 0.00 C ATOM 488 O GLU A 32 53.310 -0.515 -6.541 1.00 0.00 O ATOM 489 CB GLU A 32 56.263 0.763 -7.434 1.00 0.00 C ATOM 490 CG GLU A 32 57.488 0.246 -8.202 1.00 0.00 C ATOM 491 CD GLU A 32 57.040 -0.319 -9.551 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.701 0.470 -10.418 1.00 0.00 O ATOM 493 OE2 GLU A 32 57.044 -1.530 -9.695 1.00 0.00 O ATOM 0 H GLU A 32 54.866 -1.629 -7.994 1.00 0.00 H new ATOM 0 HA GLU A 32 56.321 -0.434 -5.624 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.496 1.084 -8.139 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.540 1.637 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 32 58.204 1.054 -8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.995 -0.525 -7.623 1.00 0.00 H new ATOM 500 N TYR A 33 54.149 0.888 -5.062 1.00 0.00 N ATOM 501 CA TYR A 33 52.792 1.221 -4.538 1.00 0.00 C ATOM 502 C TYR A 33 52.634 2.723 -4.305 1.00 0.00 C ATOM 503 O TYR A 33 53.437 3.527 -4.738 1.00 0.00 O ATOM 504 CB TYR A 33 52.697 0.494 -3.190 1.00 0.00 C ATOM 505 CG TYR A 33 53.298 -0.887 -3.280 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.561 -1.943 -3.822 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.606 -1.096 -2.838 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.136 -3.211 -3.924 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.179 -2.361 -2.934 1.00 0.00 C ATOM 510 CZ TYR A 33 54.447 -3.419 -3.479 1.00 0.00 C ATOM 511 OH TYR A 33 55.016 -4.665 -3.582 1.00 0.00 O ATOM 0 H TYR A 33 54.922 1.372 -4.605 1.00 0.00 H new ATOM 0 HA TYR A 33 52.018 0.923 -5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.215 1.071 -2.424 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.653 0.422 -2.884 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.549 -1.779 -4.161 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.173 -0.276 -2.422 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.571 -4.029 -4.345 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.189 -2.525 -2.587 1.00 0.00 H new ATOM 0 HH TYR A 33 55.053 -4.931 -4.524 1.00 0.00 H new ATOM 521 N PHE A 34 51.600 3.090 -3.595 1.00 0.00 N ATOM 522 CA PHE A 34 51.353 4.527 -3.285 1.00 0.00 C ATOM 523 C PHE A 34 51.321 4.731 -1.771 1.00 0.00 C ATOM 524 O PHE A 34 50.598 4.058 -1.061 1.00 0.00 O ATOM 525 CB PHE A 34 49.991 4.840 -3.894 1.00 0.00 C ATOM 526 CG PHE A 34 50.179 5.354 -5.300 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.730 4.522 -6.282 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.811 6.667 -5.620 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.914 5.002 -7.584 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.993 7.147 -6.922 1.00 0.00 C ATOM 531 CZ PHE A 34 50.545 6.314 -7.904 1.00 0.00 C ATOM 0 H PHE A 34 50.908 2.446 -3.212 1.00 0.00 H new ATOM 0 HA PHE A 34 52.132 5.177 -3.684 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.369 3.945 -3.902 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.472 5.583 -3.289 1.00 0.00 H new ATOM 0 HD1 PHE A 34 51.013 3.510 -6.035 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.387 7.309 -4.862 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.340 4.361 -8.341 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.708 8.159 -7.170 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.686 6.684 -8.909 1.00 0.00 H new ATOM 541 N ILE A 35 52.106 5.649 -1.274 1.00 0.00 N ATOM 542 CA ILE A 35 52.140 5.896 0.198 1.00 0.00 C ATOM 543 C ILE A 35 51.090 6.930 0.605 1.00 0.00 C ATOM 544 O ILE A 35 50.741 7.815 -0.152 1.00 0.00 O ATOM 545 CB ILE A 35 53.554 6.419 0.477 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.586 5.346 0.101 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.708 6.777 1.962 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.343 4.064 0.905 1.00 0.00 C ATOM 0 H ILE A 35 52.727 6.241 -1.825 1.00 0.00 H new ATOM 0 HA ILE A 35 51.915 4.994 0.767 1.00 0.00 H new ATOM 0 HB ILE A 35 53.720 7.314 -0.123 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.524 5.131 -0.966 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.593 5.718 0.293 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.717 7.147 2.144 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.985 7.549 2.227 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.531 5.890 2.570 1.00 0.00 H new ATOM 0 HD11 ILE A 35 55.083 3.314 0.626 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.429 4.281 1.970 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.344 3.685 0.692 1.00 0.00 H new ATOM 560 N LEU A 36 50.604 6.820 1.810 1.00 0.00 N ATOM 561 CA LEU A 36 49.591 7.789 2.308 1.00 0.00 C ATOM 562 C LEU A 36 50.151 8.527 3.522 1.00 0.00 C ATOM 563 O LEU A 36 49.959 9.717 3.680 1.00 0.00 O ATOM 564 CB LEU A 36 48.381 6.939 2.700 1.00 0.00 C ATOM 565 CG LEU A 36 47.360 6.947 1.562 1.00 0.00 C ATOM 566 CD1 LEU A 36 47.882 6.101 0.399 1.00 0.00 C ATOM 567 CD2 LEU A 36 46.037 6.364 2.062 1.00 0.00 C ATOM 0 H LEU A 36 50.868 6.094 2.476 1.00 0.00 H new ATOM 0 HA LEU A 36 49.325 8.540 1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.695 5.917 2.913 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.928 7.330 3.611 1.00 0.00 H new ATOM 0 HG LEU A 36 47.203 7.971 1.223 1.00 0.00 H new ATOM 0 HD11 LEU A 36 47.153 6.108 -0.412 1.00 0.00 H new ATOM 0 HD12 LEU A 36 48.825 6.515 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 36 48.040 5.077 0.736 1.00 0.00 H new ATOM 0 HD21 LEU A 36 45.308 6.369 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 36 46.196 5.340 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 36 45.664 6.967 2.890 1.00 0.00 H new ATOM 579 N GLU A 37 50.854 7.825 4.382 1.00 0.00 N ATOM 580 CA GLU A 37 51.448 8.475 5.599 1.00 0.00 C ATOM 581 C GLU A 37 52.160 7.424 6.458 1.00 0.00 C ATOM 582 O GLU A 37 51.587 6.407 6.800 1.00 0.00 O ATOM 583 CB GLU A 37 50.264 9.080 6.380 1.00 0.00 C ATOM 584 CG GLU A 37 50.407 10.604 6.439 1.00 0.00 C ATOM 585 CD GLU A 37 49.159 11.208 7.084 1.00 0.00 C ATOM 586 OE1 GLU A 37 48.080 10.993 6.556 1.00 0.00 O ATOM 587 OE2 GLU A 37 49.302 11.875 8.095 1.00 0.00 O ATOM 0 H GLU A 37 51.043 6.827 4.294 1.00 0.00 H new ATOM 0 HA GLU A 37 52.180 9.236 5.330 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.324 8.812 5.898 1.00 0.00 H new ATOM 0 HB3 GLU A 37 50.234 8.669 7.389 1.00 0.00 H new ATOM 0 HG2 GLU A 37 51.293 10.875 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 37 50.542 11.007 5.435 1.00 0.00 H new ATOM 653 N PRO A 42 58.468 1.905 10.187 1.00 0.00 N ATOM 654 CA PRO A 42 58.601 1.289 8.833 1.00 0.00 C ATOM 655 C PRO A 42 57.264 0.813 8.235 1.00 0.00 C ATOM 656 O PRO A 42 57.044 0.951 7.046 1.00 0.00 O ATOM 657 CB PRO A 42 59.545 0.108 9.089 1.00 0.00 C ATOM 658 CG PRO A 42 59.933 0.094 10.578 1.00 0.00 C ATOM 659 CD PRO A 42 59.357 1.347 11.246 1.00 0.00 C ATOM 0 HA PRO A 42 58.968 2.005 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 42 59.059 -0.829 8.817 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.436 0.196 8.468 1.00 0.00 H new ATOM 0 HG2 PRO A 42 59.547 -0.804 11.061 1.00 0.00 H new ATOM 0 HG3 PRO A 42 61.017 0.072 10.686 1.00 0.00 H new ATOM 0 HD2 PRO A 42 58.803 1.104 12.153 1.00 0.00 H new ATOM 0 HD3 PRO A 42 60.140 2.051 11.530 1.00 0.00 H new ATOM 667 N TRP A 43 56.385 0.242 9.017 1.00 0.00 N ATOM 668 CA TRP A 43 55.087 -0.251 8.444 1.00 0.00 C ATOM 669 C TRP A 43 54.132 0.925 8.210 1.00 0.00 C ATOM 670 O TRP A 43 53.818 1.678 9.110 1.00 0.00 O ATOM 671 CB TRP A 43 54.512 -1.206 9.492 1.00 0.00 C ATOM 672 CG TRP A 43 55.488 -2.295 9.794 1.00 0.00 C ATOM 673 CD1 TRP A 43 56.401 -2.232 10.772 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.662 -3.592 9.149 1.00 0.00 C ATOM 675 NE1 TRP A 43 57.137 -3.402 10.784 1.00 0.00 N ATOM 676 CE2 TRP A 43 56.718 -4.274 9.800 1.00 0.00 C ATOM 677 CE3 TRP A 43 55.019 -4.237 8.077 1.00 0.00 C ATOM 678 CZ2 TRP A 43 57.122 -5.549 9.404 1.00 0.00 C ATOM 679 CZ3 TRP A 43 55.423 -5.520 7.677 1.00 0.00 C ATOM 680 CH2 TRP A 43 56.471 -6.176 8.338 1.00 0.00 C ATOM 0 H TRP A 43 56.503 0.094 10.019 1.00 0.00 H new ATOM 0 HA TRP A 43 55.229 -0.746 7.483 1.00 0.00 H new ATOM 0 HB2 TRP A 43 54.276 -0.657 10.404 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.579 -1.636 9.129 1.00 0.00 H new ATOM 0 HD1 TRP A 43 56.540 -1.399 11.445 1.00 0.00 H new ATOM 0 HE1 TRP A 43 57.895 -3.596 11.438 1.00 0.00 H new ATOM 0 HE3 TRP A 43 54.210 -3.742 7.559 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 57.931 -6.048 9.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.922 -6.006 6.853 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.775 -7.164 8.024 1.00 0.00 H new ATOM 691 N TRP A 44 53.688 1.098 6.992 1.00 0.00 N ATOM 692 CA TRP A 44 52.779 2.238 6.672 1.00 0.00 C ATOM 693 C TRP A 44 51.404 1.738 6.222 1.00 0.00 C ATOM 694 O TRP A 44 51.060 0.587 6.388 1.00 0.00 O ATOM 695 CB TRP A 44 53.442 2.944 5.486 1.00 0.00 C ATOM 696 CG TRP A 44 54.859 3.311 5.772 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.378 3.666 6.973 1.00 0.00 C ATOM 698 CD2 TRP A 44 55.943 3.368 4.819 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.728 3.936 6.804 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.121 3.765 5.486 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.005 3.110 3.443 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.331 3.902 4.801 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.210 3.245 2.748 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.376 3.642 3.424 1.00 0.00 C ATOM 0 H TRP A 44 53.917 0.495 6.202 1.00 0.00 H new ATOM 0 HA TRP A 44 52.633 2.879 7.542 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.406 2.294 4.612 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.878 3.843 5.239 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.833 3.728 7.903 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.354 4.225 7.556 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.114 2.804 2.915 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.224 4.205 5.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.245 3.043 1.688 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.305 3.747 2.884 1.00 0.00 H new ATOM 715 N ARG A 45 50.643 2.609 5.611 1.00 0.00 N ATOM 716 CA ARG A 45 49.309 2.230 5.078 1.00 0.00 C ATOM 717 C ARG A 45 49.252 2.713 3.626 1.00 0.00 C ATOM 718 O ARG A 45 48.629 3.710 3.313 1.00 0.00 O ATOM 719 CB ARG A 45 48.295 2.976 5.947 1.00 0.00 C ATOM 720 CG ARG A 45 47.035 2.122 6.107 1.00 0.00 C ATOM 721 CD ARG A 45 46.023 2.864 6.982 1.00 0.00 C ATOM 722 NE ARG A 45 46.683 2.990 8.310 1.00 0.00 N ATOM 723 CZ ARG A 45 46.364 3.973 9.107 1.00 0.00 C ATOM 724 NH1 ARG A 45 46.359 5.200 8.662 1.00 0.00 N ATOM 725 NH2 ARG A 45 46.048 3.730 10.350 1.00 0.00 N ATOM 0 H ARG A 45 50.899 3.585 5.458 1.00 0.00 H new ATOM 0 HA ARG A 45 49.109 1.159 5.100 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.727 3.193 6.924 1.00 0.00 H new ATOM 0 HB3 ARG A 45 48.043 3.933 5.490 1.00 0.00 H new ATOM 0 HG2 ARG A 45 46.600 1.910 5.130 1.00 0.00 H new ATOM 0 HG3 ARG A 45 47.288 1.163 6.559 1.00 0.00 H new ATOM 0 HD2 ARG A 45 45.784 3.842 6.566 1.00 0.00 H new ATOM 0 HD3 ARG A 45 45.086 2.312 7.057 1.00 0.00 H new ATOM 0 HE ARG A 45 47.385 2.308 8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 45 46.605 5.391 7.691 1.00 0.00 H new ATOM 0 HH12 ARG A 45 46.110 5.968 9.286 1.00 0.00 H new ATOM 0 HH21 ARG A 45 46.050 2.771 10.699 1.00 0.00 H new ATOM 0 HH22 ARG A 45 45.799 4.499 10.972 1.00 0.00 H new ATOM 739 N ALA A 46 49.939 2.026 2.750 1.00 0.00 N ATOM 740 CA ALA A 46 49.986 2.445 1.318 1.00 0.00 C ATOM 741 C ALA A 46 49.102 1.535 0.466 1.00 0.00 C ATOM 742 O ALA A 46 48.739 0.451 0.880 1.00 0.00 O ATOM 743 CB ALA A 46 51.464 2.298 0.930 1.00 0.00 C ATOM 0 H ALA A 46 50.474 1.185 2.968 1.00 0.00 H new ATOM 0 HA ALA A 46 49.618 3.459 1.163 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.597 2.586 -0.113 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.073 2.942 1.564 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.774 1.261 1.063 1.00 0.00 H new ATOM 749 N ARG A 47 48.749 1.970 -0.720 1.00 0.00 N ATOM 750 CA ARG A 47 47.881 1.125 -1.591 1.00 0.00 C ATOM 751 C ARG A 47 48.653 0.624 -2.805 1.00 0.00 C ATOM 752 O ARG A 47 49.631 1.215 -3.219 1.00 0.00 O ATOM 753 CB ARG A 47 46.744 2.033 -2.039 1.00 0.00 C ATOM 754 CG ARG A 47 45.854 2.376 -0.845 1.00 0.00 C ATOM 755 CD ARG A 47 45.424 3.850 -0.920 1.00 0.00 C ATOM 756 NE ARG A 47 43.932 3.824 -0.955 1.00 0.00 N ATOM 757 CZ ARG A 47 43.305 3.403 -2.022 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.714 3.760 -3.209 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.262 2.627 -1.900 1.00 0.00 N ATOM 0 H ARG A 47 49.024 2.868 -1.118 1.00 0.00 H new ATOM 0 HA ARG A 47 47.521 0.246 -1.056 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.147 2.946 -2.478 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.156 1.540 -2.813 1.00 0.00 H new ATOM 0 HG2 ARG A 47 44.975 1.731 -0.838 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.391 2.192 0.085 1.00 0.00 H new ATOM 0 HD2 ARG A 47 45.787 4.410 -0.058 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.830 4.333 -1.809 1.00 0.00 H new ATOM 0 HE ARG A 47 43.399 4.136 -0.143 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.526 4.370 -3.307 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.222 3.429 -4.039 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.938 2.350 -0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.771 2.298 -2.731 1.00 0.00 H new ATOM 773 N ASP A 48 48.207 -0.459 -3.381 1.00 0.00 N ATOM 774 CA ASP A 48 48.899 -1.014 -4.578 1.00 0.00 C ATOM 775 C ASP A 48 48.198 -0.552 -5.863 1.00 0.00 C ATOM 776 O ASP A 48 47.493 0.439 -5.871 1.00 0.00 O ATOM 777 CB ASP A 48 48.811 -2.536 -4.411 1.00 0.00 C ATOM 778 CG ASP A 48 47.347 -2.984 -4.387 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.607 -2.488 -3.552 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.990 -3.819 -5.202 1.00 0.00 O ATOM 0 H ASP A 48 47.390 -0.985 -3.072 1.00 0.00 H new ATOM 0 HA ASP A 48 49.933 -0.677 -4.657 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.336 -3.029 -5.229 1.00 0.00 H new ATOM 0 HB3 ASP A 48 49.306 -2.837 -3.487 1.00 0.00 H new ATOM 785 N LYS A 49 48.393 -1.264 -6.944 1.00 0.00 N ATOM 786 CA LYS A 49 47.746 -0.873 -8.236 1.00 0.00 C ATOM 787 C LYS A 49 46.250 -1.223 -8.231 1.00 0.00 C ATOM 788 O LYS A 49 45.497 -0.738 -9.056 1.00 0.00 O ATOM 789 CB LYS A 49 48.478 -1.681 -9.309 1.00 0.00 C ATOM 790 CG LYS A 49 49.607 -0.836 -9.907 1.00 0.00 C ATOM 791 CD LYS A 49 50.792 -1.739 -10.255 1.00 0.00 C ATOM 792 CE LYS A 49 51.492 -2.181 -8.967 1.00 0.00 C ATOM 793 NZ LYS A 49 52.032 -3.536 -9.269 1.00 0.00 N ATOM 0 H LYS A 49 48.974 -2.101 -6.989 1.00 0.00 H new ATOM 0 HA LYS A 49 47.812 0.201 -8.410 1.00 0.00 H new ATOM 0 HB2 LYS A 49 48.884 -2.595 -8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.781 -1.981 -10.091 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.255 -0.320 -10.800 1.00 0.00 H new ATOM 0 HG3 LYS A 49 49.917 -0.069 -9.197 1.00 0.00 H new ATOM 0 HD2 LYS A 49 50.448 -2.610 -10.812 1.00 0.00 H new ATOM 0 HD3 LYS A 49 51.493 -1.206 -10.898 1.00 0.00 H new ATOM 0 HE2 LYS A 49 52.289 -1.490 -8.694 1.00 0.00 H new ATOM 0 HE3 LYS A 49 50.795 -2.211 -8.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 51.477 -4.253 -8.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 51.971 -3.714 -10.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 53.026 -3.589 -8.967 1.00 0.00 H new ATOM 807 N ASN A 50 45.815 -2.060 -7.319 1.00 0.00 N ATOM 808 CA ASN A 50 44.373 -2.439 -7.274 1.00 0.00 C ATOM 809 C ASN A 50 43.566 -1.452 -6.416 1.00 0.00 C ATOM 810 O ASN A 50 42.432 -1.720 -6.063 1.00 0.00 O ATOM 811 CB ASN A 50 44.347 -3.834 -6.647 1.00 0.00 C ATOM 812 CG ASN A 50 45.125 -4.810 -7.533 1.00 0.00 C ATOM 813 OD1 ASN A 50 45.250 -4.602 -8.723 1.00 0.00 O ATOM 814 ND2 ASN A 50 45.658 -5.875 -6.998 1.00 0.00 N ATOM 0 H ASN A 50 46.399 -2.495 -6.605 1.00 0.00 H new ATOM 0 HA ASN A 50 43.924 -2.422 -8.267 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.786 -3.804 -5.650 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.317 -4.173 -6.532 1.00 0.00 H new ATOM 0 HD21 ASN A 50 46.179 -6.532 -7.579 1.00 0.00 H new ATOM 0 HD22 ASN A 50 45.554 -6.050 -5.999 1.00 0.00 H new ATOM 821 N GLY A 51 44.131 -0.316 -6.078 1.00 0.00 N ATOM 822 CA GLY A 51 43.389 0.678 -5.246 1.00 0.00 C ATOM 823 C GLY A 51 43.042 0.062 -3.888 1.00 0.00 C ATOM 824 O GLY A 51 42.065 0.430 -3.265 1.00 0.00 O ATOM 0 H GLY A 51 45.075 -0.037 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 51 43.995 1.573 -5.105 1.00 0.00 H new ATOM 0 HA3 GLY A 51 42.478 0.987 -5.759 1.00 0.00 H new ATOM 828 N GLN A 52 43.836 -0.872 -3.427 1.00 0.00 N ATOM 829 CA GLN A 52 43.555 -1.515 -2.108 1.00 0.00 C ATOM 830 C GLN A 52 44.569 -1.039 -1.063 1.00 0.00 C ATOM 831 O GLN A 52 45.763 -1.060 -1.293 1.00 0.00 O ATOM 832 CB GLN A 52 43.702 -3.015 -2.357 1.00 0.00 C ATOM 833 CG GLN A 52 42.355 -3.593 -2.795 1.00 0.00 C ATOM 834 CD GLN A 52 42.551 -5.019 -3.313 1.00 0.00 C ATOM 835 OE1 GLN A 52 43.459 -5.709 -2.893 1.00 0.00 O ATOM 836 NE2 GLN A 52 41.733 -5.493 -4.211 1.00 0.00 N ATOM 0 H GLN A 52 44.667 -1.217 -3.908 1.00 0.00 H new ATOM 0 HA GLN A 52 42.565 -1.263 -1.728 1.00 0.00 H new ATOM 0 HB2 GLN A 52 44.454 -3.195 -3.125 1.00 0.00 H new ATOM 0 HB3 GLN A 52 44.046 -3.513 -1.451 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.658 -3.593 -1.957 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.917 -2.970 -3.574 1.00 0.00 H new ATOM 0 HE21 GLN A 52 40.971 -4.914 -4.563 1.00 0.00 H new ATOM 0 HE22 GLN A 52 41.855 -6.443 -4.561 1.00 0.00 H new ATOM 845 N GLU A 53 44.095 -0.611 0.082 1.00 0.00 N ATOM 846 CA GLU A 53 45.018 -0.127 1.155 1.00 0.00 C ATOM 847 C GLU A 53 45.531 -1.308 1.983 1.00 0.00 C ATOM 848 O GLU A 53 44.831 -2.285 2.174 1.00 0.00 O ATOM 849 CB GLU A 53 44.162 0.791 2.036 1.00 0.00 C ATOM 850 CG GLU A 53 43.607 1.952 1.208 1.00 0.00 C ATOM 851 CD GLU A 53 42.374 2.530 1.903 1.00 0.00 C ATOM 852 OE1 GLU A 53 42.401 2.642 3.117 1.00 0.00 O ATOM 853 OE2 GLU A 53 41.423 2.853 1.210 1.00 0.00 O ATOM 0 H GLU A 53 43.104 -0.576 0.320 1.00 0.00 H new ATOM 0 HA GLU A 53 45.887 0.386 0.743 1.00 0.00 H new ATOM 0 HB2 GLU A 53 43.342 0.224 2.476 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.761 1.177 2.861 1.00 0.00 H new ATOM 0 HG2 GLU A 53 44.367 2.725 1.090 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.346 1.607 0.208 1.00 0.00 H new ATOM 860 N GLY A 54 46.739 -1.223 2.489 1.00 0.00 N ATOM 861 CA GLY A 54 47.279 -2.341 3.317 1.00 0.00 C ATOM 862 C GLY A 54 48.575 -1.886 3.983 1.00 0.00 C ATOM 863 O GLY A 54 48.893 -0.712 3.976 1.00 0.00 O ATOM 0 H GLY A 54 47.369 -0.431 2.364 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.551 -2.635 4.073 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.463 -3.216 2.694 1.00 0.00 H new ATOM 867 N TYR A 55 49.323 -2.794 4.567 1.00 0.00 N ATOM 868 CA TYR A 55 50.587 -2.374 5.235 1.00 0.00 C ATOM 869 C TYR A 55 51.806 -2.572 4.329 1.00 0.00 C ATOM 870 O TYR A 55 51.930 -3.560 3.631 1.00 0.00 O ATOM 871 CB TYR A 55 50.703 -3.221 6.503 1.00 0.00 C ATOM 872 CG TYR A 55 49.676 -2.765 7.511 1.00 0.00 C ATOM 873 CD1 TYR A 55 48.314 -2.989 7.275 1.00 0.00 C ATOM 874 CD2 TYR A 55 50.085 -2.117 8.683 1.00 0.00 C ATOM 875 CE1 TYR A 55 47.363 -2.565 8.211 1.00 0.00 C ATOM 876 CE2 TYR A 55 49.134 -1.694 9.618 1.00 0.00 C ATOM 877 CZ TYR A 55 47.772 -1.917 9.382 1.00 0.00 C ATOM 878 OH TYR A 55 46.835 -1.500 10.305 1.00 0.00 O ATOM 0 H TYR A 55 49.114 -3.791 4.608 1.00 0.00 H new ATOM 0 HA TYR A 55 50.561 -1.309 5.467 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.551 -4.274 6.265 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.705 -3.130 6.923 1.00 0.00 H new ATOM 0 HD1 TYR A 55 47.997 -3.489 6.371 1.00 0.00 H new ATOM 0 HD2 TYR A 55 51.135 -1.944 8.865 1.00 0.00 H new ATOM 0 HE1 TYR A 55 46.313 -2.738 8.029 1.00 0.00 H new ATOM 0 HE2 TYR A 55 49.451 -1.195 10.522 1.00 0.00 H new ATOM 0 HH TYR A 55 47.288 -1.070 11.060 1.00 0.00 H new ATOM 888 N ILE A 56 52.700 -1.615 4.340 1.00 0.00 N ATOM 889 CA ILE A 56 53.928 -1.689 3.491 1.00 0.00 C ATOM 890 C ILE A 56 55.187 -1.562 4.389 1.00 0.00 C ATOM 891 O ILE A 56 55.494 -0.470 4.830 1.00 0.00 O ATOM 892 CB ILE A 56 53.788 -0.473 2.542 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.914 -0.863 1.355 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.141 -0.001 2.005 1.00 0.00 C ATOM 895 CD1 ILE A 56 51.474 -1.024 1.823 1.00 0.00 C ATOM 0 H ILE A 56 52.629 -0.773 4.911 1.00 0.00 H new ATOM 0 HA ILE A 56 54.031 -2.627 2.945 1.00 0.00 H new ATOM 0 HB ILE A 56 53.343 0.340 3.115 1.00 0.00 H new ATOM 0 HG12 ILE A 56 52.973 -0.100 0.579 1.00 0.00 H new ATOM 0 HG13 ILE A 56 53.272 -1.794 0.915 1.00 0.00 H new ATOM 0 HG21 ILE A 56 54.992 0.853 1.344 1.00 0.00 H new ATOM 0 HG22 ILE A 56 55.781 0.291 2.838 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.615 -0.811 1.450 1.00 0.00 H new ATOM 0 HD11 ILE A 56 50.846 -1.303 0.977 1.00 0.00 H new ATOM 0 HD12 ILE A 56 51.424 -1.802 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 56 51.120 -0.082 2.243 1.00 0.00 H new ATOM 907 N PRO A 57 55.901 -2.655 4.626 1.00 0.00 N ATOM 908 CA PRO A 57 57.127 -2.572 5.458 1.00 0.00 C ATOM 909 C PRO A 57 58.160 -1.671 4.765 1.00 0.00 C ATOM 910 O PRO A 57 58.623 -1.970 3.681 1.00 0.00 O ATOM 911 CB PRO A 57 57.608 -4.028 5.504 1.00 0.00 C ATOM 912 CG PRO A 57 56.635 -4.897 4.686 1.00 0.00 C ATOM 913 CD PRO A 57 55.538 -4.000 4.104 1.00 0.00 C ATOM 0 HA PRO A 57 56.965 -2.149 6.450 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.616 -4.106 5.098 1.00 0.00 H new ATOM 0 HB3 PRO A 57 57.652 -4.379 6.535 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.169 -5.408 3.885 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.195 -5.668 5.319 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.532 -4.023 3.014 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.546 -4.308 4.434 1.00 0.00 H new ATOM 921 N SER A 58 58.514 -0.567 5.376 1.00 0.00 N ATOM 922 CA SER A 58 59.510 0.367 4.752 1.00 0.00 C ATOM 923 C SER A 58 60.799 -0.378 4.395 1.00 0.00 C ATOM 924 O SER A 58 61.458 -0.062 3.424 1.00 0.00 O ATOM 925 CB SER A 58 59.791 1.431 5.813 1.00 0.00 C ATOM 926 OG SER A 58 60.614 2.445 5.254 1.00 0.00 O ATOM 0 H SER A 58 58.156 -0.269 6.284 1.00 0.00 H new ATOM 0 HA SER A 58 59.128 0.802 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 58 58.855 1.861 6.170 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.284 0.981 6.675 1.00 0.00 H new ATOM 0 HG SER A 58 60.102 2.953 4.591 1.00 0.00 H new ATOM 932 N ASN A 59 61.157 -1.363 5.174 1.00 0.00 N ATOM 933 CA ASN A 59 62.399 -2.139 4.883 1.00 0.00 C ATOM 934 C ASN A 59 62.243 -2.874 3.553 1.00 0.00 C ATOM 935 O ASN A 59 63.168 -2.993 2.773 1.00 0.00 O ATOM 936 CB ASN A 59 62.532 -3.125 6.056 1.00 0.00 C ATOM 937 CG ASN A 59 61.417 -4.180 6.021 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.397 -4.063 6.827 1.00 0.00 O flip ATOM 939 ND2 ASN A 59 61.477 -5.120 5.251 1.00 0.00 N flip ATOM 0 H ASN A 59 60.642 -1.665 6.001 1.00 0.00 H new ATOM 0 HA ASN A 59 63.284 -1.510 4.792 1.00 0.00 H new ATOM 0 HB2 ASN A 59 63.504 -3.617 6.013 1.00 0.00 H new ATOM 0 HB3 ASN A 59 62.492 -2.580 6.999 1.00 0.00 H new ATOM 0 HD21 ASN A 59 62.273 -5.213 4.621 1.00 0.00 H new ATOM 0 HD22 ASN A 59 60.731 -5.815 5.236 1.00 0.00 H new ATOM 946 N TYR A 60 61.066 -3.375 3.312 1.00 0.00 N ATOM 947 CA TYR A 60 60.800 -4.126 2.050 1.00 0.00 C ATOM 948 C TYR A 60 60.572 -3.171 0.871 1.00 0.00 C ATOM 949 O TYR A 60 60.930 -3.479 -0.250 1.00 0.00 O ATOM 950 CB TYR A 60 59.539 -4.943 2.333 1.00 0.00 C ATOM 951 CG TYR A 60 59.932 -6.296 2.879 1.00 0.00 C ATOM 952 CD1 TYR A 60 60.748 -7.146 2.122 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.481 -6.701 4.141 1.00 0.00 C ATOM 954 CE1 TYR A 60 61.114 -8.399 2.629 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.847 -7.954 4.647 1.00 0.00 C ATOM 956 CZ TYR A 60 60.663 -8.803 3.891 1.00 0.00 C ATOM 957 OH TYR A 60 61.024 -10.038 4.389 1.00 0.00 O ATOM 0 H TYR A 60 60.267 -3.297 3.941 1.00 0.00 H new ATOM 0 HA TYR A 60 61.646 -4.755 1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.906 -4.419 3.049 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.956 -5.062 1.419 1.00 0.00 H new ATOM 0 HD1 TYR A 60 61.095 -6.835 1.148 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.850 -6.047 4.724 1.00 0.00 H new ATOM 0 HE1 TYR A 60 61.745 -9.054 2.046 1.00 0.00 H new ATOM 0 HE2 TYR A 60 59.500 -8.265 5.621 1.00 0.00 H new ATOM 0 HH TYR A 60 60.628 -10.161 5.277 1.00 0.00 H new ATOM 967 N VAL A 61 59.981 -2.021 1.100 1.00 0.00 N ATOM 968 CA VAL A 61 59.744 -1.072 -0.036 1.00 0.00 C ATOM 969 C VAL A 61 60.736 0.090 -0.003 1.00 0.00 C ATOM 970 O VAL A 61 61.425 0.315 0.973 1.00 0.00 O ATOM 971 CB VAL A 61 58.318 -0.541 0.131 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.324 -1.694 -0.007 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.158 0.115 1.508 1.00 0.00 C ATOM 0 H VAL A 61 59.656 -1.701 2.012 1.00 0.00 H new ATOM 0 HA VAL A 61 59.878 -1.581 -0.990 1.00 0.00 H new ATOM 0 HB VAL A 61 58.122 0.203 -0.641 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.309 -1.315 0.112 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.429 -2.149 -0.992 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.525 -2.441 0.761 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.140 0.489 1.617 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.359 -0.620 2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 61 58.861 0.943 1.600 1.00 0.00 H new ATOM 983 N THR A 62 60.792 0.835 -1.073 1.00 0.00 N ATOM 984 CA THR A 62 61.712 2.005 -1.145 1.00 0.00 C ATOM 985 C THR A 62 61.025 3.120 -1.955 1.00 0.00 C ATOM 986 O THR A 62 59.836 3.324 -1.825 1.00 0.00 O ATOM 987 CB THR A 62 62.976 1.475 -1.839 1.00 0.00 C ATOM 988 OG1 THR A 62 63.928 2.524 -1.945 1.00 0.00 O ATOM 989 CG2 THR A 62 62.631 0.958 -3.238 1.00 0.00 C ATOM 0 H THR A 62 60.232 0.680 -1.911 1.00 0.00 H new ATOM 0 HA THR A 62 61.964 2.430 -0.173 1.00 0.00 H new ATOM 0 HB THR A 62 63.391 0.657 -1.250 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.736 2.189 -2.386 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.534 0.585 -3.721 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.902 0.151 -3.158 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.211 1.769 -3.832 1.00 0.00 H new ATOM 997 N GLU A 63 61.744 3.834 -2.787 1.00 0.00 N ATOM 998 CA GLU A 63 61.102 4.915 -3.594 1.00 0.00 C ATOM 999 C GLU A 63 60.513 4.329 -4.879 1.00 0.00 C ATOM 1000 O GLU A 63 61.093 3.458 -5.497 1.00 0.00 O ATOM 1001 CB GLU A 63 62.227 5.900 -3.912 1.00 0.00 C ATOM 1002 CG GLU A 63 62.308 6.957 -2.810 1.00 0.00 C ATOM 1003 CD GLU A 63 63.700 7.593 -2.812 1.00 0.00 C ATOM 1004 OE1 GLU A 63 63.890 8.553 -3.541 1.00 0.00 O ATOM 1005 OE2 GLU A 63 64.552 7.109 -2.085 1.00 0.00 O ATOM 0 H GLU A 63 62.745 3.714 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 63 60.283 5.400 -3.062 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.176 5.370 -3.993 1.00 0.00 H new ATOM 0 HB3 GLU A 63 62.045 6.377 -4.875 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.547 7.721 -2.968 1.00 0.00 H new ATOM 0 HG3 GLU A 63 62.106 6.502 -1.840 1.00 0.00 H new ATOM 1012 N ALA A 64 59.357 4.796 -5.281 1.00 0.00 N ATOM 1013 CA ALA A 64 58.704 4.265 -6.523 1.00 0.00 C ATOM 1014 C ALA A 64 59.677 4.282 -7.709 1.00 0.00 C ATOM 1015 O ALA A 64 60.680 4.969 -7.691 1.00 0.00 O ATOM 1016 CB ALA A 64 57.533 5.208 -6.791 1.00 0.00 C ATOM 0 H ALA A 64 58.832 5.527 -4.801 1.00 0.00 H new ATOM 0 HA ALA A 64 58.385 3.230 -6.396 1.00 0.00 H new ATOM 0 HB1 ALA A 64 57.003 4.885 -7.687 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.851 5.192 -5.941 1.00 0.00 H new ATOM 0 HB3 ALA A 64 57.908 6.221 -6.936 1.00 0.00 H new