USER MOD reduce.3.24.130724 H: found=0, std=0, add=404, rem=0, adj=9 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 Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 83:sc= -0.291 USER MOD Single : A 18 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl 133:sc= -0.148 (180deg=-0.89) USER MOD Single : A 21 ASN : amide:sc= -0.191 K(o=-0.19,f=-2.1!) USER MOD Single : A 23 ASN : amide:sc= -1.19 K(o=-1.2,f=-5!) USER MOD Single : A 26 GLN : amide:sc= -0.0197 X(o=-0.02,f=0) USER MOD Single : A 29 LYS NZ :NH3+ -161:sc= -0.0203 (180deg=-0.586) USER MOD Single : A 33 TYR OH : rot 31:sc= -3.9! USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -2.61 K(o=-2.6,f=-8.4!) USER MOD Single : A 52 GLN : amide:sc= -0.0955 K(o=-0.096,f=-0.97) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -1.94 K(o=-1.9,f=-8!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.34 USER MOD ----------------------------------------------------------------- ATOM 130 N LYS A 10 54.763 7.441 -3.145 1.00 0.00 N ATOM 131 CA LYS A 10 54.744 6.027 -3.638 1.00 0.00 C ATOM 132 C LYS A 10 56.081 5.344 -3.322 1.00 0.00 C ATOM 133 O LYS A 10 57.007 5.976 -2.850 1.00 0.00 O ATOM 134 CB LYS A 10 54.503 6.121 -5.154 1.00 0.00 C ATOM 135 CG LYS A 10 55.548 7.031 -5.808 1.00 0.00 C ATOM 136 CD LYS A 10 55.044 8.482 -5.824 1.00 0.00 C ATOM 137 CE LYS A 10 56.143 9.420 -5.312 1.00 0.00 C ATOM 138 NZ LYS A 10 55.789 10.760 -5.857 1.00 0.00 N ATOM 0 HA LYS A 10 53.969 5.430 -3.158 1.00 0.00 H new ATOM 0 HB2 LYS A 10 54.549 5.127 -5.598 1.00 0.00 H new ATOM 0 HB3 LYS A 10 53.503 6.509 -5.346 1.00 0.00 H new ATOM 0 HG2 LYS A 10 56.489 6.970 -5.261 1.00 0.00 H new ATOM 0 HG3 LYS A 10 55.749 6.696 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 10 54.754 8.765 -6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 10 54.155 8.575 -5.200 1.00 0.00 H new ATOM 0 HE2 LYS A 10 56.175 9.433 -4.223 1.00 0.00 H new ATOM 0 HE3 LYS A 10 57.127 9.101 -5.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 56.496 11.458 -5.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 55.772 10.719 -6.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 54.851 11.040 -5.507 1.00 0.00 H new ATOM 152 N VAL A 11 56.185 4.059 -3.570 1.00 0.00 N ATOM 153 CA VAL A 11 57.458 3.320 -3.271 1.00 0.00 C ATOM 154 C VAL A 11 57.530 2.040 -4.104 1.00 0.00 C ATOM 155 O VAL A 11 56.551 1.614 -4.681 1.00 0.00 O ATOM 156 CB VAL A 11 57.423 2.956 -1.774 1.00 0.00 C ATOM 157 CG1 VAL A 11 57.731 4.195 -0.932 1.00 0.00 C ATOM 158 CG2 VAL A 11 56.049 2.398 -1.382 1.00 0.00 C ATOM 0 H VAL A 11 55.441 3.487 -3.968 1.00 0.00 H new ATOM 0 HA VAL A 11 58.326 3.933 -3.511 1.00 0.00 H new ATOM 0 HB VAL A 11 58.176 2.190 -1.589 1.00 0.00 H new ATOM 0 HG11 VAL A 11 57.705 3.932 0.125 1.00 0.00 H new ATOM 0 HG12 VAL A 11 58.721 4.572 -1.188 1.00 0.00 H new ATOM 0 HG13 VAL A 11 56.987 4.966 -1.133 1.00 0.00 H new ATOM 0 HG21 VAL A 11 56.047 2.148 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 11 55.282 3.147 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 11 55.840 1.502 -1.966 1.00 0.00 H new ATOM 168 N VAL A 12 58.682 1.426 -4.162 1.00 0.00 N ATOM 169 CA VAL A 12 58.833 0.171 -4.953 1.00 0.00 C ATOM 170 C VAL A 12 58.763 -1.043 -3.995 1.00 0.00 C ATOM 171 O VAL A 12 58.694 -0.891 -2.791 1.00 0.00 O ATOM 172 CB VAL A 12 60.225 0.337 -5.627 1.00 0.00 C ATOM 173 CG1 VAL A 12 61.063 -0.950 -5.623 1.00 0.00 C ATOM 174 CG2 VAL A 12 60.033 0.780 -7.074 1.00 0.00 C ATOM 0 H VAL A 12 59.530 1.743 -3.692 1.00 0.00 H new ATOM 0 HA VAL A 12 58.055 0.000 -5.697 1.00 0.00 H new ATOM 0 HB VAL A 12 60.766 1.082 -5.043 1.00 0.00 H new ATOM 0 HG11 VAL A 12 62.021 -0.762 -6.108 1.00 0.00 H new ATOM 0 HG12 VAL A 12 61.234 -1.270 -4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 12 60.530 -1.733 -6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 12 61.006 0.898 -7.551 1.00 0.00 H new ATOM 0 HG22 VAL A 12 59.454 0.028 -7.611 1.00 0.00 H new ATOM 0 HG23 VAL A 12 59.501 1.731 -7.096 1.00 0.00 H new ATOM 184 N ALA A 13 58.807 -2.235 -4.534 1.00 0.00 N ATOM 185 CA ALA A 13 58.775 -3.463 -3.685 1.00 0.00 C ATOM 186 C ALA A 13 60.097 -4.222 -3.847 1.00 0.00 C ATOM 187 O ALA A 13 60.628 -4.321 -4.938 1.00 0.00 O ATOM 188 CB ALA A 13 57.613 -4.296 -4.227 1.00 0.00 C ATOM 0 H ALA A 13 58.864 -2.411 -5.537 1.00 0.00 H new ATOM 0 HA ALA A 13 58.648 -3.239 -2.626 1.00 0.00 H new ATOM 0 HB1 ALA A 13 57.526 -5.218 -3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 13 56.687 -3.727 -4.143 1.00 0.00 H new ATOM 0 HB3 ALA A 13 57.796 -4.538 -5.274 1.00 0.00 H new ATOM 194 N LEU A 14 60.635 -4.747 -2.777 1.00 0.00 N ATOM 195 CA LEU A 14 61.931 -5.487 -2.875 1.00 0.00 C ATOM 196 C LEU A 14 61.707 -7.000 -2.779 1.00 0.00 C ATOM 197 O LEU A 14 62.453 -7.777 -3.343 1.00 0.00 O ATOM 198 CB LEU A 14 62.765 -4.992 -1.693 1.00 0.00 C ATOM 199 CG LEU A 14 63.026 -3.493 -1.850 1.00 0.00 C ATOM 200 CD1 LEU A 14 63.514 -2.916 -0.520 1.00 0.00 C ATOM 201 CD2 LEU A 14 64.095 -3.273 -2.923 1.00 0.00 C ATOM 0 H LEU A 14 60.235 -4.696 -1.840 1.00 0.00 H new ATOM 0 HA LEU A 14 62.426 -5.308 -3.830 1.00 0.00 H new ATOM 0 HB2 LEU A 14 62.241 -5.185 -0.757 1.00 0.00 H new ATOM 0 HB3 LEU A 14 63.709 -5.534 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 14 62.104 -2.993 -2.145 1.00 0.00 H new ATOM 0 HD11 LEU A 14 63.700 -1.848 -0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 14 62.754 -3.073 0.245 1.00 0.00 H new ATOM 0 HD13 LEU A 14 64.436 -3.415 -0.223 1.00 0.00 H new ATOM 0 HD21 LEU A 14 64.282 -2.205 -3.036 1.00 0.00 H new ATOM 0 HD22 LEU A 14 65.017 -3.774 -2.626 1.00 0.00 H new ATOM 0 HD23 LEU A 14 63.748 -3.683 -3.871 1.00 0.00 H new ATOM 213 N TYR A 15 60.691 -7.422 -2.070 1.00 0.00 N ATOM 214 CA TYR A 15 60.427 -8.891 -1.941 1.00 0.00 C ATOM 215 C TYR A 15 58.927 -9.160 -1.815 1.00 0.00 C ATOM 216 O TYR A 15 58.131 -8.254 -1.660 1.00 0.00 O ATOM 217 CB TYR A 15 61.151 -9.324 -0.664 1.00 0.00 C ATOM 218 CG TYR A 15 62.631 -9.046 -0.795 1.00 0.00 C ATOM 219 CD1 TYR A 15 63.410 -9.805 -1.676 1.00 0.00 C ATOM 220 CD2 TYR A 15 63.222 -8.031 -0.033 1.00 0.00 C ATOM 221 CE1 TYR A 15 64.782 -9.549 -1.796 1.00 0.00 C ATOM 222 CE2 TYR A 15 64.593 -7.775 -0.154 1.00 0.00 C ATOM 223 CZ TYR A 15 65.372 -8.534 -1.035 1.00 0.00 C ATOM 224 OH TYR A 15 66.724 -8.280 -1.153 1.00 0.00 O ATOM 0 H TYR A 15 60.034 -6.818 -1.576 1.00 0.00 H new ATOM 0 HA TYR A 15 60.776 -9.440 -2.815 1.00 0.00 H new ATOM 0 HB2 TYR A 15 60.746 -8.788 0.194 1.00 0.00 H new ATOM 0 HB3 TYR A 15 60.986 -10.386 -0.484 1.00 0.00 H new ATOM 0 HD1 TYR A 15 62.953 -10.588 -2.263 1.00 0.00 H new ATOM 0 HD2 TYR A 15 62.621 -7.446 0.647 1.00 0.00 H new ATOM 0 HE1 TYR A 15 65.384 -10.135 -2.475 1.00 0.00 H new ATOM 0 HE2 TYR A 15 65.050 -6.992 0.433 1.00 0.00 H new ATOM 0 HH TYR A 15 66.972 -7.543 -0.556 1.00 0.00 H new ATOM 234 N ASP A 16 58.542 -10.408 -1.879 1.00 0.00 N ATOM 235 CA ASP A 16 57.095 -10.765 -1.766 1.00 0.00 C ATOM 236 C ASP A 16 56.638 -10.696 -0.307 1.00 0.00 C ATOM 237 O ASP A 16 57.410 -10.923 0.606 1.00 0.00 O ATOM 238 CB ASP A 16 56.994 -12.198 -2.291 1.00 0.00 C ATOM 239 CG ASP A 16 57.044 -12.187 -3.820 1.00 0.00 C ATOM 240 OD1 ASP A 16 56.500 -11.264 -4.405 1.00 0.00 O ATOM 241 OD2 ASP A 16 57.625 -13.101 -4.381 1.00 0.00 O ATOM 0 H ASP A 16 59.171 -11.201 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 16 56.461 -10.079 -2.328 1.00 0.00 H new ATOM 0 HB2 ASP A 16 57.811 -12.800 -1.894 1.00 0.00 H new ATOM 0 HB3 ASP A 16 56.066 -12.657 -1.950 1.00 0.00 H new ATOM 246 N TYR A 17 55.387 -10.381 -0.085 1.00 0.00 N ATOM 247 CA TYR A 17 54.861 -10.290 1.310 1.00 0.00 C ATOM 248 C TYR A 17 53.328 -10.204 1.279 1.00 0.00 C ATOM 249 O TYR A 17 52.747 -9.187 1.608 1.00 0.00 O ATOM 250 CB TYR A 17 55.488 -9.006 1.874 1.00 0.00 C ATOM 251 CG TYR A 17 54.926 -8.700 3.245 1.00 0.00 C ATOM 252 CD1 TYR A 17 55.261 -9.508 4.337 1.00 0.00 C ATOM 253 CD2 TYR A 17 54.071 -7.606 3.420 1.00 0.00 C ATOM 254 CE1 TYR A 17 54.742 -9.221 5.604 1.00 0.00 C ATOM 255 CE2 TYR A 17 53.552 -7.318 4.687 1.00 0.00 C ATOM 256 CZ TYR A 17 53.887 -8.127 5.780 1.00 0.00 C ATOM 257 OH TYR A 17 53.377 -7.844 7.030 1.00 0.00 O ATOM 0 H TYR A 17 54.703 -10.182 -0.815 1.00 0.00 H new ATOM 0 HA TYR A 17 55.109 -11.157 1.922 1.00 0.00 H new ATOM 0 HB2 TYR A 17 56.570 -9.119 1.935 1.00 0.00 H new ATOM 0 HB3 TYR A 17 55.292 -8.172 1.200 1.00 0.00 H new ATOM 0 HD1 TYR A 17 55.920 -10.353 4.202 1.00 0.00 H new ATOM 0 HD2 TYR A 17 53.812 -6.984 2.576 1.00 0.00 H new ATOM 0 HE1 TYR A 17 55.001 -9.844 6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 17 52.894 -6.473 4.822 1.00 0.00 H new ATOM 0 HH TYR A 17 54.036 -7.333 7.544 1.00 0.00 H new ATOM 267 N MET A 18 52.676 -11.269 0.883 1.00 0.00 N ATOM 268 CA MET A 18 51.179 -11.265 0.825 1.00 0.00 C ATOM 269 C MET A 18 50.587 -10.991 2.221 1.00 0.00 C ATOM 270 O MET A 18 51.261 -11.180 3.214 1.00 0.00 O ATOM 271 CB MET A 18 50.785 -12.664 0.334 1.00 0.00 C ATOM 272 CG MET A 18 51.330 -13.729 1.292 1.00 0.00 C ATOM 273 SD MET A 18 50.503 -15.307 0.972 1.00 0.00 S ATOM 274 CE MET A 18 51.335 -16.265 2.262 1.00 0.00 C ATOM 0 H MET A 18 53.116 -12.144 0.596 1.00 0.00 H new ATOM 0 HA MET A 18 50.800 -10.485 0.164 1.00 0.00 H new ATOM 0 HB2 MET A 18 49.700 -12.743 0.269 1.00 0.00 H new ATOM 0 HB3 MET A 18 51.178 -12.830 -0.669 1.00 0.00 H new ATOM 0 HG2 MET A 18 52.406 -13.837 1.159 1.00 0.00 H new ATOM 0 HG3 MET A 18 51.166 -13.423 2.325 1.00 0.00 H new ATOM 0 HE1 MET A 18 50.969 -17.292 2.246 1.00 0.00 H new ATOM 0 HE2 MET A 18 52.410 -16.260 2.083 1.00 0.00 H new ATOM 0 HE3 MET A 18 51.127 -15.821 3.236 1.00 0.00 H new ATOM 284 N PRO A 19 49.340 -10.548 2.264 1.00 0.00 N ATOM 285 CA PRO A 19 48.689 -10.252 3.563 1.00 0.00 C ATOM 286 C PRO A 19 48.487 -11.538 4.372 1.00 0.00 C ATOM 287 O PRO A 19 48.557 -12.631 3.844 1.00 0.00 O ATOM 288 CB PRO A 19 47.344 -9.649 3.138 1.00 0.00 C ATOM 289 CG PRO A 19 47.277 -9.625 1.599 1.00 0.00 C ATOM 290 CD PRO A 19 48.521 -10.317 1.042 1.00 0.00 C ATOM 0 HA PRO A 19 49.272 -9.591 4.204 1.00 0.00 H new ATOM 0 HB2 PRO A 19 46.521 -10.238 3.543 1.00 0.00 H new ATOM 0 HB3 PRO A 19 47.240 -8.640 3.536 1.00 0.00 H new ATOM 0 HG2 PRO A 19 46.376 -10.131 1.252 1.00 0.00 H new ATOM 0 HG3 PRO A 19 47.224 -8.597 1.239 1.00 0.00 H new ATOM 0 HD2 PRO A 19 48.273 -11.251 0.538 1.00 0.00 H new ATOM 0 HD3 PRO A 19 49.042 -9.692 0.317 1.00 0.00 H new ATOM 298 N MET A 20 48.232 -11.408 5.649 1.00 0.00 N ATOM 299 CA MET A 20 48.016 -12.613 6.505 1.00 0.00 C ATOM 300 C MET A 20 46.550 -12.688 6.934 1.00 0.00 C ATOM 301 O MET A 20 45.863 -13.656 6.668 1.00 0.00 O ATOM 302 CB MET A 20 48.919 -12.407 7.723 1.00 0.00 C ATOM 303 CG MET A 20 50.377 -12.305 7.271 1.00 0.00 C ATOM 304 SD MET A 20 51.462 -12.943 8.573 1.00 0.00 S ATOM 305 CE MET A 20 51.053 -14.693 8.371 1.00 0.00 C ATOM 0 H MET A 20 48.164 -10.515 6.137 1.00 0.00 H new ATOM 0 HA MET A 20 48.249 -13.540 5.982 1.00 0.00 H new ATOM 0 HB2 MET A 20 48.628 -11.501 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 20 48.801 -13.237 8.420 1.00 0.00 H new ATOM 0 HG2 MET A 20 50.524 -12.871 6.351 1.00 0.00 H new ATOM 0 HG3 MET A 20 50.628 -11.268 7.050 1.00 0.00 H new ATOM 0 HE1 MET A 20 51.971 -15.281 8.349 1.00 0.00 H new ATOM 0 HE2 MET A 20 50.433 -15.020 9.205 1.00 0.00 H new ATOM 0 HE3 MET A 20 50.509 -14.834 7.437 1.00 0.00 H new ATOM 315 N ASN A 21 46.071 -11.666 7.594 1.00 0.00 N ATOM 316 CA ASN A 21 44.648 -11.656 8.046 1.00 0.00 C ATOM 317 C ASN A 21 43.826 -10.702 7.176 1.00 0.00 C ATOM 318 O ASN A 21 43.054 -11.122 6.335 1.00 0.00 O ATOM 319 CB ASN A 21 44.696 -11.166 9.495 1.00 0.00 C ATOM 320 CG ASN A 21 44.703 -12.367 10.443 1.00 0.00 C ATOM 321 OD1 ASN A 21 44.174 -13.412 10.122 1.00 0.00 O ATOM 322 ND2 ASN A 21 45.284 -12.260 11.607 1.00 0.00 N ATOM 0 H ASN A 21 46.607 -10.834 7.841 1.00 0.00 H new ATOM 0 HA ASN A 21 44.180 -12.637 7.967 1.00 0.00 H new ATOM 0 HB2 ASN A 21 45.587 -10.559 9.655 1.00 0.00 H new ATOM 0 HB3 ASN A 21 43.835 -10.530 9.703 1.00 0.00 H new ATOM 0 HD21 ASN A 21 45.294 -13.054 12.247 1.00 0.00 H new ATOM 0 HD22 ASN A 21 45.728 -11.382 11.876 1.00 0.00 H new ATOM 329 N ALA A 22 43.992 -9.420 7.375 1.00 0.00 N ATOM 330 CA ALA A 22 43.229 -8.421 6.565 1.00 0.00 C ATOM 331 C ALA A 22 43.795 -7.015 6.793 1.00 0.00 C ATOM 332 O ALA A 22 43.101 -6.120 7.236 1.00 0.00 O ATOM 333 CB ALA A 22 41.788 -8.513 7.074 1.00 0.00 C ATOM 0 H ALA A 22 44.626 -9.019 8.067 1.00 0.00 H new ATOM 0 HA ALA A 22 43.294 -8.619 5.495 1.00 0.00 H new ATOM 0 HB1 ALA A 22 41.163 -7.807 6.527 1.00 0.00 H new ATOM 0 HB2 ALA A 22 41.412 -9.525 6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 22 41.761 -8.272 8.137 1.00 0.00 H new ATOM 339 N ASN A 23 45.053 -6.822 6.494 1.00 0.00 N ATOM 340 CA ASN A 23 45.681 -5.480 6.687 1.00 0.00 C ATOM 341 C ASN A 23 46.883 -5.301 5.780 1.00 0.00 C ATOM 342 O ASN A 23 46.945 -4.395 4.974 1.00 0.00 O ATOM 343 CB ASN A 23 46.160 -5.458 8.130 1.00 0.00 C ATOM 344 CG ASN A 23 45.075 -4.864 9.030 1.00 0.00 C ATOM 345 OD1 ASN A 23 44.580 -3.784 8.773 1.00 0.00 O ATOM 346 ND2 ASN A 23 44.682 -5.529 10.082 1.00 0.00 N ATOM 0 H ASN A 23 45.676 -7.539 6.123 1.00 0.00 H new ATOM 0 HA ASN A 23 44.969 -4.687 6.457 1.00 0.00 H new ATOM 0 HB2 ASN A 23 46.403 -6.469 8.457 1.00 0.00 H new ATOM 0 HB3 ASN A 23 47.074 -4.869 8.210 1.00 0.00 H new ATOM 0 HD21 ASN A 23 43.959 -5.142 10.689 1.00 0.00 H new ATOM 0 HD22 ASN A 23 45.098 -6.435 10.297 1.00 0.00 H new ATOM 353 N ASP A 24 47.864 -6.144 5.955 1.00 0.00 N ATOM 354 CA ASP A 24 49.121 -6.034 5.159 1.00 0.00 C ATOM 355 C ASP A 24 48.838 -5.851 3.661 1.00 0.00 C ATOM 356 O ASP A 24 48.107 -6.616 3.060 1.00 0.00 O ATOM 357 CB ASP A 24 49.868 -7.345 5.408 1.00 0.00 C ATOM 358 CG ASP A 24 50.736 -7.208 6.659 1.00 0.00 C ATOM 359 OD1 ASP A 24 51.454 -6.226 6.753 1.00 0.00 O ATOM 360 OD2 ASP A 24 50.668 -8.086 7.503 1.00 0.00 O ATOM 0 H ASP A 24 47.848 -6.914 6.624 1.00 0.00 H new ATOM 0 HA ASP A 24 49.700 -5.161 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 24 49.158 -8.162 5.533 1.00 0.00 H new ATOM 0 HB3 ASP A 24 50.489 -7.591 4.547 1.00 0.00 H new ATOM 365 N LEU A 25 49.417 -4.841 3.064 1.00 0.00 N ATOM 366 CA LEU A 25 49.192 -4.598 1.608 1.00 0.00 C ATOM 367 C LEU A 25 49.935 -5.653 0.786 1.00 0.00 C ATOM 368 O LEU A 25 51.124 -5.853 0.946 1.00 0.00 O ATOM 369 CB LEU A 25 49.755 -3.197 1.336 1.00 0.00 C ATOM 370 CG LEU A 25 49.446 -2.801 -0.114 1.00 0.00 C ATOM 371 CD1 LEU A 25 47.961 -2.444 -0.237 1.00 0.00 C ATOM 372 CD2 LEU A 25 50.296 -1.590 -0.516 1.00 0.00 C ATOM 0 H LEU A 25 50.037 -4.173 3.523 1.00 0.00 H new ATOM 0 HA LEU A 25 48.139 -4.662 1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 25 49.315 -2.475 2.024 1.00 0.00 H new ATOM 0 HB3 LEU A 25 50.831 -3.185 1.507 1.00 0.00 H new ATOM 0 HG LEU A 25 49.679 -3.637 -0.773 1.00 0.00 H new ATOM 0 HD11 LEU A 25 47.739 -2.162 -1.266 1.00 0.00 H new ATOM 0 HD12 LEU A 25 47.355 -3.306 0.042 1.00 0.00 H new ATOM 0 HD13 LEU A 25 47.731 -1.609 0.425 1.00 0.00 H new ATOM 0 HD21 LEU A 25 50.072 -1.314 -1.546 1.00 0.00 H new ATOM 0 HD22 LEU A 25 50.069 -0.751 0.142 1.00 0.00 H new ATOM 0 HD23 LEU A 25 51.353 -1.843 -0.430 1.00 0.00 H new ATOM 384 N GLN A 26 49.237 -6.337 -0.089 1.00 0.00 N ATOM 385 CA GLN A 26 49.893 -7.394 -0.926 1.00 0.00 C ATOM 386 C GLN A 26 51.096 -6.820 -1.684 1.00 0.00 C ATOM 387 O GLN A 26 50.966 -6.254 -2.752 1.00 0.00 O ATOM 388 CB GLN A 26 48.811 -7.881 -1.900 1.00 0.00 C ATOM 389 CG GLN A 26 48.286 -6.709 -2.737 1.00 0.00 C ATOM 390 CD GLN A 26 46.787 -6.888 -2.989 1.00 0.00 C ATOM 391 OE1 GLN A 26 46.019 -5.959 -2.842 1.00 0.00 O ATOM 392 NE2 GLN A 26 46.337 -8.054 -3.367 1.00 0.00 N ATOM 0 H GLN A 26 48.240 -6.209 -0.261 1.00 0.00 H new ATOM 0 HA GLN A 26 50.276 -8.211 -0.314 1.00 0.00 H new ATOM 0 HB2 GLN A 26 49.220 -8.650 -2.555 1.00 0.00 H new ATOM 0 HB3 GLN A 26 47.991 -8.338 -1.346 1.00 0.00 H new ATOM 0 HG2 GLN A 26 48.468 -5.768 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 26 48.821 -6.658 -3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 26 46.982 -8.834 -3.490 1.00 0.00 H new ATOM 0 HE22 GLN A 26 45.340 -8.185 -3.539 1.00 0.00 H new ATOM 401 N LEU A 27 52.269 -6.969 -1.126 1.00 0.00 N ATOM 402 CA LEU A 27 53.495 -6.443 -1.790 1.00 0.00 C ATOM 403 C LEU A 27 54.046 -7.458 -2.797 1.00 0.00 C ATOM 404 O LEU A 27 53.408 -8.443 -3.117 1.00 0.00 O ATOM 405 CB LEU A 27 54.489 -6.208 -0.651 1.00 0.00 C ATOM 406 CG LEU A 27 54.370 -4.772 -0.144 1.00 0.00 C ATOM 407 CD1 LEU A 27 54.511 -4.761 1.378 1.00 0.00 C ATOM 408 CD2 LEU A 27 55.482 -3.924 -0.762 1.00 0.00 C ATOM 0 H LEU A 27 52.430 -7.436 -0.233 1.00 0.00 H new ATOM 0 HA LEU A 27 53.298 -5.531 -2.354 1.00 0.00 H new ATOM 0 HB2 LEU A 27 54.295 -6.907 0.162 1.00 0.00 H new ATOM 0 HB3 LEU A 27 55.505 -6.397 -0.998 1.00 0.00 H new ATOM 0 HG LEU A 27 53.399 -4.363 -0.425 1.00 0.00 H new ATOM 0 HD11 LEU A 27 54.427 -3.738 1.744 1.00 0.00 H new ATOM 0 HD12 LEU A 27 53.723 -5.371 1.821 1.00 0.00 H new ATOM 0 HD13 LEU A 27 55.484 -5.167 1.656 1.00 0.00 H new ATOM 0 HD21 LEU A 27 55.400 -2.898 -0.402 1.00 0.00 H new ATOM 0 HD22 LEU A 27 56.452 -4.332 -0.477 1.00 0.00 H new ATOM 0 HD23 LEU A 27 55.388 -3.936 -1.848 1.00 0.00 H new ATOM 420 N ARG A 28 55.223 -7.208 -3.305 1.00 0.00 N ATOM 421 CA ARG A 28 55.844 -8.127 -4.307 1.00 0.00 C ATOM 422 C ARG A 28 57.286 -7.693 -4.576 1.00 0.00 C ATOM 423 O ARG A 28 57.886 -6.991 -3.783 1.00 0.00 O ATOM 424 CB ARG A 28 54.996 -7.974 -5.573 1.00 0.00 C ATOM 425 CG ARG A 28 54.835 -9.338 -6.249 1.00 0.00 C ATOM 426 CD ARG A 28 53.485 -9.396 -6.968 1.00 0.00 C ATOM 427 NE ARG A 28 52.470 -9.410 -5.878 1.00 0.00 N ATOM 428 CZ ARG A 28 51.282 -9.905 -6.098 1.00 0.00 C ATOM 429 NH1 ARG A 28 51.120 -11.198 -6.182 1.00 0.00 N ATOM 430 NH2 ARG A 28 50.259 -9.109 -6.235 1.00 0.00 N ATOM 0 H ARG A 28 55.790 -6.394 -3.066 1.00 0.00 H new ATOM 0 HA ARG A 28 55.871 -9.161 -3.963 1.00 0.00 H new ATOM 0 HB2 ARG A 28 54.018 -7.564 -5.321 1.00 0.00 H new ATOM 0 HB3 ARG A 28 55.470 -7.271 -6.258 1.00 0.00 H new ATOM 0 HG2 ARG A 28 55.645 -9.501 -6.960 1.00 0.00 H new ATOM 0 HG3 ARG A 28 54.898 -10.133 -5.506 1.00 0.00 H new ATOM 0 HD2 ARG A 28 53.349 -8.536 -7.623 1.00 0.00 H new ATOM 0 HD3 ARG A 28 53.407 -10.287 -7.591 1.00 0.00 H new ATOM 0 HE ARG A 28 52.703 -9.033 -4.959 1.00 0.00 H new ATOM 0 HH11 ARG A 28 51.921 -11.820 -6.076 1.00 0.00 H new ATOM 0 HH12 ARG A 28 50.192 -11.586 -6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 28 50.386 -8.099 -6.170 1.00 0.00 H new ATOM 0 HH22 ARG A 28 49.331 -9.496 -6.407 1.00 0.00 H new ATOM 444 N LYS A 29 57.844 -8.101 -5.687 1.00 0.00 N ATOM 445 CA LYS A 29 59.243 -7.713 -6.009 1.00 0.00 C ATOM 446 C LYS A 29 59.311 -7.021 -7.371 1.00 0.00 C ATOM 447 O LYS A 29 58.942 -7.581 -8.386 1.00 0.00 O ATOM 448 CB LYS A 29 60.032 -9.025 -6.012 1.00 0.00 C ATOM 449 CG LYS A 29 61.512 -8.739 -6.287 1.00 0.00 C ATOM 450 CD LYS A 29 62.100 -9.861 -7.147 1.00 0.00 C ATOM 451 CE LYS A 29 63.622 -9.722 -7.199 1.00 0.00 C ATOM 452 NZ LYS A 29 63.868 -8.449 -7.934 1.00 0.00 N ATOM 0 H LYS A 29 57.387 -8.688 -6.385 1.00 0.00 H new ATOM 0 HA LYS A 29 59.649 -7.004 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 29 59.922 -9.529 -5.052 1.00 0.00 H new ATOM 0 HB3 LYS A 29 59.635 -9.697 -6.772 1.00 0.00 H new ATOM 0 HG2 LYS A 29 61.619 -7.782 -6.797 1.00 0.00 H new ATOM 0 HG3 LYS A 29 62.059 -8.663 -5.347 1.00 0.00 H new ATOM 0 HD2 LYS A 29 61.827 -10.832 -6.733 1.00 0.00 H new ATOM 0 HD3 LYS A 29 61.686 -9.816 -8.154 1.00 0.00 H new ATOM 0 HE2 LYS A 29 64.050 -9.688 -6.197 1.00 0.00 H new ATOM 0 HE3 LYS A 29 64.078 -10.569 -7.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 64.845 -8.438 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 63.206 -8.376 -8.733 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 63.725 -7.644 -7.291 1.00 0.00 H new ATOM 466 N GLY A 30 59.776 -5.797 -7.390 1.00 0.00 N ATOM 467 CA GLY A 30 59.869 -5.037 -8.671 1.00 0.00 C ATOM 468 C GLY A 30 58.625 -4.163 -8.838 1.00 0.00 C ATOM 469 O GLY A 30 58.659 -3.150 -9.512 1.00 0.00 O ATOM 0 H GLY A 30 60.097 -5.289 -6.566 1.00 0.00 H new ATOM 0 HA2 GLY A 30 60.765 -4.417 -8.674 1.00 0.00 H new ATOM 0 HA3 GLY A 30 59.957 -5.727 -9.510 1.00 0.00 H new ATOM 473 N ASP A 31 57.529 -4.540 -8.223 1.00 0.00 N ATOM 474 CA ASP A 31 56.288 -3.724 -8.340 1.00 0.00 C ATOM 475 C ASP A 31 56.386 -2.519 -7.405 1.00 0.00 C ATOM 476 O ASP A 31 57.239 -2.474 -6.546 1.00 0.00 O ATOM 477 CB ASP A 31 55.151 -4.653 -7.908 1.00 0.00 C ATOM 478 CG ASP A 31 53.812 -3.931 -8.072 1.00 0.00 C ATOM 479 OD1 ASP A 31 53.340 -3.848 -9.194 1.00 0.00 O ATOM 480 OD2 ASP A 31 53.280 -3.475 -7.074 1.00 0.00 O ATOM 0 H ASP A 31 57.444 -5.377 -7.647 1.00 0.00 H new ATOM 0 HA ASP A 31 56.128 -3.344 -9.349 1.00 0.00 H new ATOM 0 HB2 ASP A 31 55.162 -5.562 -8.509 1.00 0.00 H new ATOM 0 HB3 ASP A 31 55.289 -4.955 -6.870 1.00 0.00 H new ATOM 485 N GLU A 32 55.526 -1.547 -7.562 1.00 0.00 N ATOM 486 CA GLU A 32 55.584 -0.346 -6.668 1.00 0.00 C ATOM 487 C GLU A 32 54.175 -0.040 -6.156 1.00 0.00 C ATOM 488 O GLU A 32 53.217 -0.665 -6.574 1.00 0.00 O ATOM 489 CB GLU A 32 56.129 0.811 -7.524 1.00 0.00 C ATOM 490 CG GLU A 32 57.316 0.354 -8.384 1.00 0.00 C ATOM 491 CD GLU A 32 56.799 -0.200 -9.715 1.00 0.00 C ATOM 492 OE1 GLU A 32 56.268 0.576 -10.491 1.00 0.00 O ATOM 493 OE2 GLU A 32 56.945 -1.391 -9.933 1.00 0.00 O ATOM 0 H GLU A 32 54.788 -1.530 -8.266 1.00 0.00 H new ATOM 0 HA GLU A 32 56.225 -0.505 -5.801 1.00 0.00 H new ATOM 0 HB2 GLU A 32 55.337 1.195 -8.167 1.00 0.00 H new ATOM 0 HB3 GLU A 32 56.440 1.631 -6.876 1.00 0.00 H new ATOM 0 HG2 GLU A 32 57.992 1.190 -8.564 1.00 0.00 H new ATOM 0 HG3 GLU A 32 57.888 -0.410 -7.857 1.00 0.00 H new ATOM 500 N TYR A 33 54.035 0.878 -5.227 1.00 0.00 N ATOM 501 CA TYR A 33 52.681 1.162 -4.670 1.00 0.00 C ATOM 502 C TYR A 33 52.477 2.655 -4.420 1.00 0.00 C ATOM 503 O TYR A 33 53.267 3.487 -4.823 1.00 0.00 O ATOM 504 CB TYR A 33 52.639 0.419 -3.330 1.00 0.00 C ATOM 505 CG TYR A 33 53.234 -0.965 -3.461 1.00 0.00 C ATOM 506 CD1 TYR A 33 52.439 -2.042 -3.866 1.00 0.00 C ATOM 507 CD2 TYR A 33 54.592 -1.155 -3.196 1.00 0.00 C ATOM 508 CE1 TYR A 33 53.005 -3.312 -4.001 1.00 0.00 C ATOM 509 CE2 TYR A 33 55.159 -2.421 -3.334 1.00 0.00 C ATOM 510 CZ TYR A 33 54.366 -3.501 -3.736 1.00 0.00 C ATOM 511 OH TYR A 33 54.929 -4.748 -3.877 1.00 0.00 O ATOM 0 H TYR A 33 54.794 1.436 -4.836 1.00 0.00 H new ATOM 0 HA TYR A 33 51.901 0.847 -5.363 1.00 0.00 H new ATOM 0 HB2 TYR A 33 53.188 0.986 -2.578 1.00 0.00 H new ATOM 0 HB3 TYR A 33 51.608 0.345 -2.983 1.00 0.00 H new ATOM 0 HD1 TYR A 33 51.390 -1.892 -4.074 1.00 0.00 H new ATOM 0 HD2 TYR A 33 55.203 -0.321 -2.884 1.00 0.00 H new ATOM 0 HE1 TYR A 33 52.393 -4.147 -4.309 1.00 0.00 H new ATOM 0 HE2 TYR A 33 56.209 -2.568 -3.131 1.00 0.00 H new ATOM 0 HH TYR A 33 54.462 -5.240 -4.585 1.00 0.00 H new ATOM 521 N PHE A 34 51.415 2.982 -3.730 1.00 0.00 N ATOM 522 CA PHE A 34 51.119 4.407 -3.406 1.00 0.00 C ATOM 523 C PHE A 34 51.077 4.581 -1.886 1.00 0.00 C ATOM 524 O PHE A 34 50.470 3.798 -1.183 1.00 0.00 O ATOM 525 CB PHE A 34 49.744 4.674 -4.017 1.00 0.00 C ATOM 526 CG PHE A 34 49.910 5.177 -5.431 1.00 0.00 C ATOM 527 CD1 PHE A 34 50.498 6.426 -5.665 1.00 0.00 C ATOM 528 CD2 PHE A 34 49.473 4.396 -6.508 1.00 0.00 C ATOM 529 CE1 PHE A 34 50.651 6.892 -6.977 1.00 0.00 C ATOM 530 CE2 PHE A 34 49.627 4.862 -7.819 1.00 0.00 C ATOM 531 CZ PHE A 34 50.215 6.110 -8.053 1.00 0.00 C ATOM 0 H PHE A 34 50.733 2.313 -3.374 1.00 0.00 H new ATOM 0 HA PHE A 34 51.870 5.095 -3.794 1.00 0.00 H new ATOM 0 HB2 PHE A 34 49.149 3.761 -4.012 1.00 0.00 H new ATOM 0 HB3 PHE A 34 49.205 5.409 -3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 34 50.833 7.030 -4.835 1.00 0.00 H new ATOM 0 HD2 PHE A 34 49.017 3.434 -6.327 1.00 0.00 H new ATOM 0 HE1 PHE A 34 51.105 7.855 -7.158 1.00 0.00 H new ATOM 0 HE2 PHE A 34 49.292 4.258 -8.650 1.00 0.00 H new ATOM 0 HZ PHE A 34 50.333 6.470 -9.064 1.00 0.00 H new ATOM 541 N ILE A 35 51.730 5.591 -1.376 1.00 0.00 N ATOM 542 CA ILE A 35 51.749 5.808 0.104 1.00 0.00 C ATOM 543 C ILE A 35 50.634 6.766 0.534 1.00 0.00 C ATOM 544 O ILE A 35 50.433 7.809 -0.058 1.00 0.00 O ATOM 545 CB ILE A 35 53.118 6.432 0.399 1.00 0.00 C ATOM 546 CG1 ILE A 35 54.245 5.523 -0.124 1.00 0.00 C ATOM 547 CG2 ILE A 35 53.281 6.635 1.909 1.00 0.00 C ATOM 548 CD1 ILE A 35 54.178 4.147 0.545 1.00 0.00 C ATOM 0 H ILE A 35 52.253 6.278 -1.920 1.00 0.00 H new ATOM 0 HA ILE A 35 51.589 4.876 0.646 1.00 0.00 H new ATOM 0 HB ILE A 35 53.179 7.396 -0.106 1.00 0.00 H new ATOM 0 HG12 ILE A 35 54.159 5.413 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 35 55.213 5.983 0.074 1.00 0.00 H new ATOM 0 HG21 ILE A 35 54.255 7.079 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 35 52.497 7.298 2.274 1.00 0.00 H new ATOM 0 HG23 ILE A 35 53.207 5.673 2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 35 54.982 3.517 0.164 1.00 0.00 H new ATOM 0 HD12 ILE A 35 54.287 4.261 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 35 53.217 3.682 0.325 1.00 0.00 H new ATOM 560 N LEU A 36 49.930 6.424 1.584 1.00 0.00 N ATOM 561 CA LEU A 36 48.844 7.314 2.091 1.00 0.00 C ATOM 562 C LEU A 36 49.344 8.054 3.333 1.00 0.00 C ATOM 563 O LEU A 36 48.902 9.146 3.637 1.00 0.00 O ATOM 564 CB LEU A 36 47.681 6.390 2.479 1.00 0.00 C ATOM 565 CG LEU A 36 46.862 5.979 1.245 1.00 0.00 C ATOM 566 CD1 LEU A 36 46.314 7.219 0.538 1.00 0.00 C ATOM 567 CD2 LEU A 36 47.744 5.187 0.281 1.00 0.00 C ATOM 0 H LEU A 36 50.062 5.562 2.113 1.00 0.00 H new ATOM 0 HA LEU A 36 48.539 8.048 1.346 1.00 0.00 H new ATOM 0 HB2 LEU A 36 48.070 5.500 2.974 1.00 0.00 H new ATOM 0 HB3 LEU A 36 47.034 6.896 3.196 1.00 0.00 H new ATOM 0 HG LEU A 36 46.027 5.357 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 36 45.736 6.915 -0.334 1.00 0.00 H new ATOM 0 HD12 LEU A 36 45.673 7.775 1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 36 47.142 7.853 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 36 47.160 4.897 -0.592 1.00 0.00 H new ATOM 0 HD22 LEU A 36 48.585 5.805 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 36 48.117 4.293 0.780 1.00 0.00 H new ATOM 579 N GLU A 37 50.260 7.455 4.057 1.00 0.00 N ATOM 580 CA GLU A 37 50.791 8.106 5.290 1.00 0.00 C ATOM 581 C GLU A 37 52.320 8.184 5.241 1.00 0.00 C ATOM 582 O GLU A 37 52.927 8.120 4.190 1.00 0.00 O ATOM 583 CB GLU A 37 50.328 7.204 6.445 1.00 0.00 C ATOM 584 CG GLU A 37 49.462 8.009 7.421 1.00 0.00 C ATOM 585 CD GLU A 37 50.330 8.530 8.568 1.00 0.00 C ATOM 586 OE1 GLU A 37 51.278 9.245 8.290 1.00 0.00 O ATOM 587 OE2 GLU A 37 50.031 8.204 9.704 1.00 0.00 O ATOM 0 H GLU A 37 50.661 6.542 3.844 1.00 0.00 H new ATOM 0 HA GLU A 37 50.432 9.129 5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 37 49.761 6.359 6.054 1.00 0.00 H new ATOM 0 HB3 GLU A 37 51.193 6.793 6.966 1.00 0.00 H new ATOM 0 HG2 GLU A 37 48.990 8.843 6.901 1.00 0.00 H new ATOM 0 HG3 GLU A 37 48.661 7.383 7.813 1.00 0.00 H new ATOM 653 N PRO A 42 58.101 1.693 10.075 1.00 0.00 N ATOM 654 CA PRO A 42 58.390 1.088 8.750 1.00 0.00 C ATOM 655 C PRO A 42 57.107 0.742 7.978 1.00 0.00 C ATOM 656 O PRO A 42 57.066 0.844 6.765 1.00 0.00 O ATOM 657 CB PRO A 42 59.145 -0.196 9.124 1.00 0.00 C ATOM 658 CG PRO A 42 59.246 -0.287 10.656 1.00 0.00 C ATOM 659 CD PRO A 42 58.550 0.923 11.270 1.00 0.00 C ATOM 0 HA PRO A 42 58.944 1.762 8.097 1.00 0.00 H new ATOM 0 HB2 PRO A 42 58.624 -1.068 8.728 1.00 0.00 H new ATOM 0 HB3 PRO A 42 60.141 -0.191 8.680 1.00 0.00 H new ATOM 0 HG2 PRO A 42 58.783 -1.208 11.010 1.00 0.00 H new ATOM 0 HG3 PRO A 42 60.291 -0.317 10.964 1.00 0.00 H new ATOM 0 HD2 PRO A 42 57.710 0.629 11.900 1.00 0.00 H new ATOM 0 HD3 PRO A 42 59.228 1.505 11.894 1.00 0.00 H new ATOM 667 N TRP A 43 56.083 0.297 8.659 1.00 0.00 N ATOM 668 CA TRP A 43 54.825 -0.101 7.951 1.00 0.00 C ATOM 669 C TRP A 43 53.982 1.126 7.581 1.00 0.00 C ATOM 670 O TRP A 43 53.627 1.915 8.436 1.00 0.00 O ATOM 671 CB TRP A 43 54.041 -0.961 8.952 1.00 0.00 C ATOM 672 CG TRP A 43 54.877 -2.082 9.478 1.00 0.00 C ATOM 673 CD1 TRP A 43 55.591 -2.019 10.614 1.00 0.00 C ATOM 674 CD2 TRP A 43 55.077 -3.420 8.937 1.00 0.00 C ATOM 675 NE1 TRP A 43 56.233 -3.227 10.811 1.00 0.00 N ATOM 676 CE2 TRP A 43 55.947 -4.125 9.803 1.00 0.00 C ATOM 677 CE3 TRP A 43 54.600 -4.083 7.794 1.00 0.00 C ATOM 678 CZ2 TRP A 43 56.328 -5.442 9.546 1.00 0.00 C ATOM 679 CZ3 TRP A 43 54.981 -5.408 7.532 1.00 0.00 C ATOM 680 CH2 TRP A 43 55.843 -6.086 8.406 1.00 0.00 C ATOM 0 H TRP A 43 56.061 0.191 9.673 1.00 0.00 H new ATOM 0 HA TRP A 43 55.055 -0.630 7.026 1.00 0.00 H new ATOM 0 HB2 TRP A 43 53.700 -0.339 9.780 1.00 0.00 H new ATOM 0 HB3 TRP A 43 53.151 -1.364 8.469 1.00 0.00 H new ATOM 0 HD1 TRP A 43 55.653 -1.162 11.268 1.00 0.00 H new ATOM 0 HE1 TRP A 43 56.843 -3.430 11.603 1.00 0.00 H new ATOM 0 HE3 TRP A 43 53.937 -3.570 7.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 56.992 -5.959 10.223 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 54.608 -5.909 6.651 1.00 0.00 H new ATOM 0 HH2 TRP A 43 56.132 -7.106 8.197 1.00 0.00 H new ATOM 691 N TRP A 44 53.633 1.282 6.324 1.00 0.00 N ATOM 692 CA TRP A 44 52.785 2.442 5.926 1.00 0.00 C ATOM 693 C TRP A 44 51.454 1.930 5.390 1.00 0.00 C ATOM 694 O TRP A 44 51.365 0.814 4.916 1.00 0.00 O ATOM 695 CB TRP A 44 53.513 3.133 4.785 1.00 0.00 C ATOM 696 CG TRP A 44 54.917 3.481 5.139 1.00 0.00 C ATOM 697 CD1 TRP A 44 55.361 3.983 6.318 1.00 0.00 C ATOM 698 CD2 TRP A 44 56.067 3.370 4.277 1.00 0.00 C ATOM 699 NE1 TRP A 44 56.733 4.171 6.222 1.00 0.00 N ATOM 700 CE2 TRP A 44 57.212 3.806 4.973 1.00 0.00 C ATOM 701 CE3 TRP A 44 56.211 2.925 2.959 1.00 0.00 C ATOM 702 CZ2 TRP A 44 58.471 3.801 4.369 1.00 0.00 C ATOM 703 CZ3 TRP A 44 57.459 2.917 2.343 1.00 0.00 C ATOM 704 CH2 TRP A 44 58.597 3.355 3.044 1.00 0.00 C ATOM 0 H TRP A 44 53.900 0.657 5.563 1.00 0.00 H new ATOM 0 HA TRP A 44 52.609 3.108 6.771 1.00 0.00 H new ATOM 0 HB2 TRP A 44 53.512 2.483 3.910 1.00 0.00 H new ATOM 0 HB3 TRP A 44 52.975 4.040 4.510 1.00 0.00 H new ATOM 0 HD1 TRP A 44 54.752 4.199 7.183 1.00 0.00 H new ATOM 0 HE1 TRP A 44 57.316 4.533 6.977 1.00 0.00 H new ATOM 0 HE3 TRP A 44 55.344 2.584 2.413 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 59.339 4.137 4.916 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 57.554 2.573 1.324 1.00 0.00 H new ATOM 0 HH2 TRP A 44 59.565 3.348 2.564 1.00 0.00 H new ATOM 715 N ARG A 45 50.432 2.744 5.412 1.00 0.00 N ATOM 716 CA ARG A 45 49.123 2.299 4.854 1.00 0.00 C ATOM 717 C ARG A 45 49.104 2.619 3.352 1.00 0.00 C ATOM 718 O ARG A 45 48.243 3.323 2.867 1.00 0.00 O ATOM 719 CB ARG A 45 48.068 3.118 5.599 1.00 0.00 C ATOM 720 CG ARG A 45 46.781 2.299 5.726 1.00 0.00 C ATOM 721 CD ARG A 45 46.928 1.292 6.868 1.00 0.00 C ATOM 722 NE ARG A 45 45.915 0.238 6.584 1.00 0.00 N ATOM 723 CZ ARG A 45 45.038 -0.086 7.494 1.00 0.00 C ATOM 724 NH1 ARG A 45 44.208 0.812 7.950 1.00 0.00 N ATOM 725 NH2 ARG A 45 44.992 -1.308 7.950 1.00 0.00 N ATOM 0 H ARG A 45 50.447 3.691 5.790 1.00 0.00 H new ATOM 0 HA ARG A 45 48.943 1.231 4.973 1.00 0.00 H new ATOM 0 HB2 ARG A 45 48.436 3.392 6.588 1.00 0.00 H new ATOM 0 HB3 ARG A 45 47.869 4.047 5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 45 45.935 2.959 5.916 1.00 0.00 H new ATOM 0 HG3 ARG A 45 46.575 1.777 4.791 1.00 0.00 H new ATOM 0 HD2 ARG A 45 47.934 0.874 6.899 1.00 0.00 H new ATOM 0 HD3 ARG A 45 46.748 1.762 7.835 1.00 0.00 H new ATOM 0 HE ARG A 45 45.907 -0.231 5.678 1.00 0.00 H new ATOM 0 HH11 ARG A 45 44.245 1.767 7.595 1.00 0.00 H new ATOM 0 HH12 ARG A 45 43.522 0.558 8.661 1.00 0.00 H new ATOM 0 HH21 ARG A 45 45.642 -2.010 7.595 1.00 0.00 H new ATOM 0 HH22 ARG A 45 44.306 -1.561 8.661 1.00 0.00 H new ATOM 739 N ALA A 46 50.071 2.118 2.623 1.00 0.00 N ATOM 740 CA ALA A 46 50.156 2.401 1.159 1.00 0.00 C ATOM 741 C ALA A 46 49.213 1.482 0.377 1.00 0.00 C ATOM 742 O ALA A 46 48.930 0.375 0.792 1.00 0.00 O ATOM 743 CB ALA A 46 51.627 2.143 0.784 1.00 0.00 C ATOM 0 H ALA A 46 50.812 1.519 2.985 1.00 0.00 H new ATOM 0 HA ALA A 46 49.855 3.421 0.918 1.00 0.00 H new ATOM 0 HB1 ALA A 46 51.769 2.330 -0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 46 52.271 2.808 1.359 1.00 0.00 H new ATOM 0 HB3 ALA A 46 51.883 1.107 1.008 1.00 0.00 H new ATOM 749 N ARG A 47 48.722 1.941 -0.748 1.00 0.00 N ATOM 750 CA ARG A 47 47.792 1.104 -1.564 1.00 0.00 C ATOM 751 C ARG A 47 48.523 0.526 -2.772 1.00 0.00 C ATOM 752 O ARG A 47 49.530 1.050 -3.206 1.00 0.00 O ATOM 753 CB ARG A 47 46.694 2.055 -2.033 1.00 0.00 C ATOM 754 CG ARG A 47 45.762 2.387 -0.870 1.00 0.00 C ATOM 755 CD ARG A 47 44.991 3.672 -1.181 1.00 0.00 C ATOM 756 NE ARG A 47 43.719 3.216 -1.807 1.00 0.00 N ATOM 757 CZ ARG A 47 43.211 3.878 -2.811 1.00 0.00 C ATOM 758 NH1 ARG A 47 43.762 3.796 -3.991 1.00 0.00 N ATOM 759 NH2 ARG A 47 42.153 4.620 -2.635 1.00 0.00 N ATOM 0 H ARG A 47 48.927 2.862 -1.136 1.00 0.00 H new ATOM 0 HA ARG A 47 47.394 0.268 -0.989 1.00 0.00 H new ATOM 0 HB2 ARG A 47 47.137 2.969 -2.428 1.00 0.00 H new ATOM 0 HB3 ARG A 47 46.128 1.599 -2.845 1.00 0.00 H new ATOM 0 HG2 ARG A 47 45.066 1.565 -0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 47 46.338 2.509 0.047 1.00 0.00 H new ATOM 0 HD2 ARG A 47 44.801 4.247 -0.275 1.00 0.00 H new ATOM 0 HD3 ARG A 47 45.554 4.317 -1.856 1.00 0.00 H new ATOM 0 HE ARG A 47 43.245 2.386 -1.451 1.00 0.00 H new ATOM 0 HH11 ARG A 47 44.589 3.215 -4.128 1.00 0.00 H new ATOM 0 HH12 ARG A 47 43.366 4.313 -4.776 1.00 0.00 H new ATOM 0 HH21 ARG A 47 41.722 4.683 -1.713 1.00 0.00 H new ATOM 0 HH22 ARG A 47 41.756 5.137 -3.420 1.00 0.00 H new ATOM 773 N ASP A 48 48.017 -0.547 -3.319 1.00 0.00 N ATOM 774 CA ASP A 48 48.676 -1.165 -4.504 1.00 0.00 C ATOM 775 C ASP A 48 48.000 -0.690 -5.799 1.00 0.00 C ATOM 776 O ASP A 48 47.405 0.371 -5.841 1.00 0.00 O ATOM 777 CB ASP A 48 48.508 -2.675 -4.299 1.00 0.00 C ATOM 778 CG ASP A 48 47.022 -3.049 -4.282 1.00 0.00 C ATOM 779 OD1 ASP A 48 46.289 -2.460 -3.506 1.00 0.00 O ATOM 780 OD2 ASP A 48 46.645 -3.920 -5.047 1.00 0.00 O ATOM 0 H ASP A 48 47.175 -1.022 -2.995 1.00 0.00 H new ATOM 0 HA ASP A 48 49.726 -0.889 -4.595 1.00 0.00 H new ATOM 0 HB2 ASP A 48 49.017 -3.216 -5.097 1.00 0.00 H new ATOM 0 HB3 ASP A 48 48.976 -2.976 -3.362 1.00 0.00 H new ATOM 785 N LYS A 49 48.094 -1.464 -6.853 1.00 0.00 N ATOM 786 CA LYS A 49 47.466 -1.055 -8.147 1.00 0.00 C ATOM 787 C LYS A 49 46.052 -1.636 -8.277 1.00 0.00 C ATOM 788 O LYS A 49 45.531 -1.771 -9.369 1.00 0.00 O ATOM 789 CB LYS A 49 48.384 -1.632 -9.231 1.00 0.00 C ATOM 790 CG LYS A 49 49.246 -0.517 -9.828 1.00 0.00 C ATOM 791 CD LYS A 49 48.583 0.018 -11.101 1.00 0.00 C ATOM 792 CE LYS A 49 48.837 1.522 -11.217 1.00 0.00 C ATOM 793 NZ LYS A 49 47.575 2.082 -11.775 1.00 0.00 N ATOM 0 H LYS A 49 48.579 -2.361 -6.872 1.00 0.00 H new ATOM 0 HA LYS A 49 47.364 0.027 -8.224 1.00 0.00 H new ATOM 0 HB2 LYS A 49 49.020 -2.408 -8.806 1.00 0.00 H new ATOM 0 HB3 LYS A 49 47.788 -2.102 -10.013 1.00 0.00 H new ATOM 0 HG2 LYS A 49 49.370 0.288 -9.104 1.00 0.00 H new ATOM 0 HG3 LYS A 49 50.242 -0.896 -10.056 1.00 0.00 H new ATOM 0 HD2 LYS A 49 48.982 -0.497 -11.975 1.00 0.00 H new ATOM 0 HD3 LYS A 49 47.511 -0.179 -11.076 1.00 0.00 H new ATOM 0 HE2 LYS A 49 49.068 1.960 -10.246 1.00 0.00 H new ATOM 0 HE3 LYS A 49 49.684 1.730 -11.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 47.671 3.112 -11.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 47.385 1.652 -12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 46.787 1.874 -11.129 1.00 0.00 H new ATOM 807 N ASN A 50 45.427 -1.975 -7.177 1.00 0.00 N ATOM 808 CA ASN A 50 44.051 -2.540 -7.237 1.00 0.00 C ATOM 809 C ASN A 50 43.047 -1.563 -6.617 1.00 0.00 C ATOM 810 O ASN A 50 41.881 -1.557 -6.964 1.00 0.00 O ATOM 811 CB ASN A 50 44.111 -3.835 -6.426 1.00 0.00 C ATOM 812 CG ASN A 50 45.066 -4.821 -7.103 1.00 0.00 C ATOM 813 OD1 ASN A 50 46.131 -4.443 -7.549 1.00 0.00 O ATOM 814 ND2 ASN A 50 44.726 -6.077 -7.200 1.00 0.00 N ATOM 0 H ASN A 50 45.815 -1.883 -6.238 1.00 0.00 H new ATOM 0 HA ASN A 50 43.727 -2.719 -8.262 1.00 0.00 H new ATOM 0 HB2 ASN A 50 44.448 -3.625 -5.411 1.00 0.00 H new ATOM 0 HB3 ASN A 50 43.116 -4.273 -6.347 1.00 0.00 H new ATOM 0 HD21 ASN A 50 45.355 -6.742 -7.650 1.00 0.00 H new ATOM 0 HD22 ASN A 50 43.832 -6.394 -6.825 1.00 0.00 H new ATOM 821 N GLY A 51 43.494 -0.741 -5.701 1.00 0.00 N ATOM 822 CA GLY A 51 42.574 0.238 -5.050 1.00 0.00 C ATOM 823 C GLY A 51 42.360 -0.158 -3.587 1.00 0.00 C ATOM 824 O GLY A 51 41.330 0.124 -3.005 1.00 0.00 O ATOM 0 H GLY A 51 44.460 -0.707 -5.376 1.00 0.00 H new ATOM 0 HA2 GLY A 51 42.994 1.242 -5.108 1.00 0.00 H new ATOM 0 HA3 GLY A 51 41.619 0.261 -5.575 1.00 0.00 H new ATOM 828 N GLN A 52 43.326 -0.812 -2.991 1.00 0.00 N ATOM 829 CA GLN A 52 43.189 -1.233 -1.569 1.00 0.00 C ATOM 830 C GLN A 52 44.429 -0.821 -0.770 1.00 0.00 C ATOM 831 O GLN A 52 45.550 -0.969 -1.228 1.00 0.00 O ATOM 832 CB GLN A 52 43.069 -2.754 -1.623 1.00 0.00 C ATOM 833 CG GLN A 52 41.596 -3.150 -1.736 1.00 0.00 C ATOM 834 CD GLN A 52 40.942 -3.087 -0.355 1.00 0.00 C ATOM 835 OE1 GLN A 52 40.537 -2.031 0.091 1.00 0.00 O ATOM 836 NE2 GLN A 52 40.820 -4.181 0.346 1.00 0.00 N ATOM 0 H GLN A 52 44.207 -1.072 -3.434 1.00 0.00 H new ATOM 0 HA GLN A 52 42.332 -0.770 -1.081 1.00 0.00 H new ATOM 0 HB2 GLN A 52 43.627 -3.143 -2.475 1.00 0.00 H new ATOM 0 HB3 GLN A 52 43.507 -3.195 -0.728 1.00 0.00 H new ATOM 0 HG2 GLN A 52 41.081 -2.481 -2.425 1.00 0.00 H new ATOM 0 HG3 GLN A 52 41.510 -4.157 -2.145 1.00 0.00 H new ATOM 0 HE21 GLN A 52 41.160 -5.067 -0.028 1.00 0.00 H new ATOM 0 HE22 GLN A 52 40.385 -4.150 1.268 1.00 0.00 H new ATOM 845 N GLU A 53 44.235 -0.308 0.419 1.00 0.00 N ATOM 846 CA GLU A 53 45.397 0.114 1.259 1.00 0.00 C ATOM 847 C GLU A 53 45.792 -1.015 2.213 1.00 0.00 C ATOM 848 O GLU A 53 45.000 -1.890 2.510 1.00 0.00 O ATOM 849 CB GLU A 53 44.919 1.348 2.039 1.00 0.00 C ATOM 850 CG GLU A 53 43.695 0.995 2.894 1.00 0.00 C ATOM 851 CD GLU A 53 43.846 1.600 4.292 1.00 0.00 C ATOM 852 OE1 GLU A 53 44.246 2.749 4.378 1.00 0.00 O ATOM 853 OE2 GLU A 53 43.562 0.903 5.252 1.00 0.00 O ATOM 0 H GLU A 53 43.320 -0.163 0.845 1.00 0.00 H new ATOM 0 HA GLU A 53 46.276 0.344 0.657 1.00 0.00 H new ATOM 0 HB2 GLU A 53 45.722 1.718 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 53 44.668 2.150 1.345 1.00 0.00 H new ATOM 0 HG2 GLU A 53 42.789 1.372 2.421 1.00 0.00 H new ATOM 0 HG3 GLU A 53 43.590 -0.088 2.966 1.00 0.00 H new ATOM 860 N GLY A 54 47.009 -1.003 2.692 1.00 0.00 N ATOM 861 CA GLY A 54 47.462 -2.073 3.626 1.00 0.00 C ATOM 862 C GLY A 54 48.806 -1.660 4.207 1.00 0.00 C ATOM 863 O GLY A 54 49.289 -0.583 3.923 1.00 0.00 O ATOM 0 H GLY A 54 47.710 -0.295 2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 54 46.732 -2.216 4.422 1.00 0.00 H new ATOM 0 HA3 GLY A 54 47.551 -3.024 3.100 1.00 0.00 H new ATOM 867 N TYR A 55 49.420 -2.492 5.007 1.00 0.00 N ATOM 868 CA TYR A 55 50.732 -2.095 5.585 1.00 0.00 C ATOM 869 C TYR A 55 51.872 -2.326 4.588 1.00 0.00 C ATOM 870 O TYR A 55 51.729 -3.039 3.617 1.00 0.00 O ATOM 871 CB TYR A 55 50.919 -2.937 6.848 1.00 0.00 C ATOM 872 CG TYR A 55 49.940 -2.486 7.907 1.00 0.00 C ATOM 873 CD1 TYR A 55 49.898 -1.142 8.296 1.00 0.00 C ATOM 874 CD2 TYR A 55 49.075 -3.413 8.500 1.00 0.00 C ATOM 875 CE1 TYR A 55 48.992 -0.726 9.278 1.00 0.00 C ATOM 876 CE2 TYR A 55 48.169 -2.997 9.483 1.00 0.00 C ATOM 877 CZ TYR A 55 48.127 -1.653 9.872 1.00 0.00 C ATOM 878 OH TYR A 55 47.233 -1.243 10.839 1.00 0.00 O ATOM 0 H TYR A 55 49.076 -3.412 5.280 1.00 0.00 H new ATOM 0 HA TYR A 55 50.749 -1.031 5.820 1.00 0.00 H new ATOM 0 HB2 TYR A 55 50.764 -3.992 6.620 1.00 0.00 H new ATOM 0 HB3 TYR A 55 51.940 -2.837 7.216 1.00 0.00 H new ATOM 0 HD1 TYR A 55 50.565 -0.426 7.838 1.00 0.00 H new ATOM 0 HD2 TYR A 55 49.106 -4.450 8.199 1.00 0.00 H new ATOM 0 HE1 TYR A 55 48.960 0.311 9.578 1.00 0.00 H new ATOM 0 HE2 TYR A 55 47.503 -3.713 9.941 1.00 0.00 H new ATOM 0 HH TYR A 55 46.707 -2.011 11.145 1.00 0.00 H new ATOM 888 N ILE A 56 52.995 -1.696 4.826 1.00 0.00 N ATOM 889 CA ILE A 56 54.168 -1.821 3.904 1.00 0.00 C ATOM 890 C ILE A 56 55.487 -1.699 4.708 1.00 0.00 C ATOM 891 O ILE A 56 55.887 -0.594 5.020 1.00 0.00 O ATOM 892 CB ILE A 56 54.016 -0.609 2.952 1.00 0.00 C ATOM 893 CG1 ILE A 56 52.864 -0.854 1.969 1.00 0.00 C ATOM 894 CG2 ILE A 56 55.310 -0.354 2.156 1.00 0.00 C ATOM 895 CD1 ILE A 56 53.137 -2.114 1.150 1.00 0.00 C ATOM 0 H ILE A 56 53.152 -1.091 5.632 1.00 0.00 H new ATOM 0 HA ILE A 56 54.199 -2.776 3.379 1.00 0.00 H new ATOM 0 HB ILE A 56 53.805 0.268 3.564 1.00 0.00 H new ATOM 0 HG12 ILE A 56 51.926 -0.960 2.514 1.00 0.00 H new ATOM 0 HG13 ILE A 56 52.752 0.004 1.306 1.00 0.00 H new ATOM 0 HG21 ILE A 56 55.169 0.503 1.498 1.00 0.00 H new ATOM 0 HG22 ILE A 56 56.128 -0.150 2.847 1.00 0.00 H new ATOM 0 HG23 ILE A 56 55.550 -1.234 1.559 1.00 0.00 H new ATOM 0 HD11 ILE A 56 52.315 -2.281 0.454 1.00 0.00 H new ATOM 0 HD12 ILE A 56 54.065 -1.991 0.592 1.00 0.00 H new ATOM 0 HD13 ILE A 56 53.226 -2.970 1.819 1.00 0.00 H new ATOM 907 N PRO A 57 56.152 -2.808 5.003 1.00 0.00 N ATOM 908 CA PRO A 57 57.436 -2.729 5.746 1.00 0.00 C ATOM 909 C PRO A 57 58.428 -1.839 4.980 1.00 0.00 C ATOM 910 O PRO A 57 58.765 -2.109 3.844 1.00 0.00 O ATOM 911 CB PRO A 57 57.905 -4.187 5.772 1.00 0.00 C ATOM 912 CG PRO A 57 56.869 -5.053 5.030 1.00 0.00 C ATOM 913 CD PRO A 57 55.682 -4.168 4.631 1.00 0.00 C ATOM 0 HA PRO A 57 57.347 -2.296 6.743 1.00 0.00 H new ATOM 0 HB2 PRO A 57 58.882 -4.278 5.298 1.00 0.00 H new ATOM 0 HB3 PRO A 57 58.017 -4.530 6.801 1.00 0.00 H new ATOM 0 HG2 PRO A 57 57.318 -5.504 4.145 1.00 0.00 H new ATOM 0 HG3 PRO A 57 56.533 -5.870 5.668 1.00 0.00 H new ATOM 0 HD2 PRO A 57 55.460 -4.243 3.566 1.00 0.00 H new ATOM 0 HD3 PRO A 57 54.773 -4.443 5.166 1.00 0.00 H new ATOM 921 N SER A 58 58.875 -0.770 5.591 1.00 0.00 N ATOM 922 CA SER A 58 59.830 0.169 4.905 1.00 0.00 C ATOM 923 C SER A 58 61.000 -0.586 4.261 1.00 0.00 C ATOM 924 O SER A 58 61.375 -0.312 3.138 1.00 0.00 O ATOM 925 CB SER A 58 60.341 1.094 6.010 1.00 0.00 C ATOM 926 OG SER A 58 61.498 1.781 5.551 1.00 0.00 O ATOM 0 H SER A 58 58.620 -0.502 6.542 1.00 0.00 H new ATOM 0 HA SER A 58 59.339 0.713 4.098 1.00 0.00 H new ATOM 0 HB2 SER A 58 59.567 1.809 6.289 1.00 0.00 H new ATOM 0 HB3 SER A 58 60.578 0.516 6.903 1.00 0.00 H new ATOM 0 HG SER A 58 61.827 2.376 6.257 1.00 0.00 H new ATOM 932 N ASN A 59 61.575 -1.528 4.961 1.00 0.00 N ATOM 933 CA ASN A 59 62.720 -2.299 4.386 1.00 0.00 C ATOM 934 C ASN A 59 62.265 -3.057 3.136 1.00 0.00 C ATOM 935 O ASN A 59 62.977 -3.159 2.157 1.00 0.00 O ATOM 936 CB ASN A 59 63.153 -3.262 5.505 1.00 0.00 C ATOM 937 CG ASN A 59 62.107 -4.363 5.730 1.00 0.00 C ATOM 938 OD1 ASN A 59 60.966 -4.081 6.033 1.00 0.00 O ATOM 939 ND2 ASN A 59 62.458 -5.614 5.593 1.00 0.00 N ATOM 0 H ASN A 59 61.302 -1.798 5.906 1.00 0.00 H new ATOM 0 HA ASN A 59 63.546 -1.659 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 59 64.111 -3.715 5.248 1.00 0.00 H new ATOM 0 HB3 ASN A 59 63.302 -2.705 6.430 1.00 0.00 H new ATOM 0 HD21 ASN A 59 61.773 -6.355 5.741 1.00 0.00 H new ATOM 0 HD22 ASN A 59 63.417 -5.850 5.338 1.00 0.00 H new ATOM 946 N TYR A 60 61.080 -3.590 3.188 1.00 0.00 N ATOM 947 CA TYR A 60 60.539 -4.362 2.024 1.00 0.00 C ATOM 948 C TYR A 60 60.349 -3.459 0.799 1.00 0.00 C ATOM 949 O TYR A 60 60.436 -3.916 -0.324 1.00 0.00 O ATOM 950 CB TYR A 60 59.185 -4.905 2.493 1.00 0.00 C ATOM 951 CG TYR A 60 59.339 -6.336 2.951 1.00 0.00 C ATOM 952 CD1 TYR A 60 59.818 -6.612 4.238 1.00 0.00 C ATOM 953 CD2 TYR A 60 59.005 -7.388 2.089 1.00 0.00 C ATOM 954 CE1 TYR A 60 59.961 -7.937 4.663 1.00 0.00 C ATOM 955 CE2 TYR A 60 59.148 -8.714 2.514 1.00 0.00 C ATOM 956 CZ TYR A 60 59.626 -8.989 3.800 1.00 0.00 C ATOM 957 OH TYR A 60 59.768 -10.296 4.220 1.00 0.00 O ATOM 0 H TYR A 60 60.453 -3.527 3.990 1.00 0.00 H new ATOM 0 HA TYR A 60 61.223 -5.156 1.723 1.00 0.00 H new ATOM 0 HB2 TYR A 60 58.799 -4.292 3.308 1.00 0.00 H new ATOM 0 HB3 TYR A 60 58.460 -4.849 1.681 1.00 0.00 H new ATOM 0 HD1 TYR A 60 60.077 -5.801 4.903 1.00 0.00 H new ATOM 0 HD2 TYR A 60 58.637 -7.176 1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 60 60.329 -8.149 5.656 1.00 0.00 H new ATOM 0 HE2 TYR A 60 58.889 -9.525 1.849 1.00 0.00 H new ATOM 0 HH TYR A 60 59.491 -10.902 3.502 1.00 0.00 H new ATOM 967 N VAL A 61 60.080 -2.192 0.997 1.00 0.00 N ATOM 968 CA VAL A 61 59.876 -1.281 -0.177 1.00 0.00 C ATOM 969 C VAL A 61 60.935 -0.178 -0.220 1.00 0.00 C ATOM 970 O VAL A 61 61.703 0.005 0.704 1.00 0.00 O ATOM 971 CB VAL A 61 58.487 -0.664 0.002 1.00 0.00 C ATOM 972 CG1 VAL A 61 57.428 -1.762 -0.070 1.00 0.00 C ATOM 973 CG2 VAL A 61 58.397 0.042 1.356 1.00 0.00 C ATOM 0 H VAL A 61 59.993 -1.750 1.912 1.00 0.00 H new ATOM 0 HA VAL A 61 59.961 -1.835 -1.112 1.00 0.00 H new ATOM 0 HB VAL A 61 58.316 0.063 -0.792 1.00 0.00 H new ATOM 0 HG11 VAL A 61 56.439 -1.322 0.058 1.00 0.00 H new ATOM 0 HG12 VAL A 61 57.483 -2.257 -1.039 1.00 0.00 H new ATOM 0 HG13 VAL A 61 57.606 -2.491 0.720 1.00 0.00 H new ATOM 0 HG21 VAL A 61 57.405 0.478 1.474 1.00 0.00 H new ATOM 0 HG22 VAL A 61 58.574 -0.679 2.155 1.00 0.00 H new ATOM 0 HG23 VAL A 61 59.148 0.831 1.406 1.00 0.00 H new ATOM 983 N THR A 62 60.962 0.562 -1.295 1.00 0.00 N ATOM 984 CA THR A 62 61.947 1.674 -1.435 1.00 0.00 C ATOM 985 C THR A 62 61.287 2.832 -2.210 1.00 0.00 C ATOM 986 O THR A 62 60.142 3.154 -1.968 1.00 0.00 O ATOM 987 CB THR A 62 63.128 1.056 -2.199 1.00 0.00 C ATOM 988 OG1 THR A 62 64.143 2.036 -2.366 1.00 0.00 O ATOM 989 CG2 THR A 62 62.666 0.563 -3.571 1.00 0.00 C ATOM 0 H THR A 62 60.336 0.442 -2.092 1.00 0.00 H new ATOM 0 HA THR A 62 62.282 2.090 -0.485 1.00 0.00 H new ATOM 0 HB THR A 62 63.519 0.212 -1.631 1.00 0.00 H new ATOM 0 HG1 THR A 62 64.899 1.645 -2.852 1.00 0.00 H new ATOM 0 HG21 THR A 62 63.511 0.127 -4.104 1.00 0.00 H new ATOM 0 HG22 THR A 62 61.889 -0.191 -3.444 1.00 0.00 H new ATOM 0 HG23 THR A 62 62.269 1.401 -4.144 1.00 0.00 H new ATOM 997 N GLU A 63 61.981 3.458 -3.132 1.00 0.00 N ATOM 998 CA GLU A 63 61.361 4.577 -3.903 1.00 0.00 C ATOM 999 C GLU A 63 60.631 4.022 -5.127 1.00 0.00 C ATOM 1000 O GLU A 63 61.123 3.143 -5.803 1.00 0.00 O ATOM 1001 CB GLU A 63 62.529 5.470 -4.325 1.00 0.00 C ATOM 1002 CG GLU A 63 62.014 6.879 -4.620 1.00 0.00 C ATOM 1003 CD GLU A 63 63.099 7.902 -4.277 1.00 0.00 C ATOM 1004 OE1 GLU A 63 64.067 7.979 -5.016 1.00 0.00 O ATOM 1005 OE2 GLU A 63 62.944 8.591 -3.283 1.00 0.00 O ATOM 0 H GLU A 63 62.946 3.242 -3.381 1.00 0.00 H new ATOM 0 HA GLU A 63 60.627 5.130 -3.317 1.00 0.00 H new ATOM 0 HB2 GLU A 63 63.279 5.504 -3.535 1.00 0.00 H new ATOM 0 HB3 GLU A 63 63.016 5.057 -5.209 1.00 0.00 H new ATOM 0 HG2 GLU A 63 61.738 6.964 -5.671 1.00 0.00 H new ATOM 0 HG3 GLU A 63 61.114 7.078 -4.038 1.00 0.00 H new ATOM 1012 N ALA A 64 59.453 4.528 -5.406 1.00 0.00 N ATOM 1013 CA ALA A 64 58.649 4.035 -6.578 1.00 0.00 C ATOM 1014 C ALA A 64 59.513 3.890 -7.842 1.00 0.00 C ATOM 1015 O ALA A 64 59.238 3.075 -8.703 1.00 0.00 O ATOM 1016 CB ALA A 64 57.589 5.105 -6.803 1.00 0.00 C ATOM 0 H ALA A 64 59.007 5.270 -4.867 1.00 0.00 H new ATOM 0 HA ALA A 64 58.228 3.050 -6.377 1.00 0.00 H new ATOM 0 HB1 ALA A 64 56.958 4.820 -7.645 1.00 0.00 H new ATOM 0 HB2 ALA A 64 56.976 5.204 -5.907 1.00 0.00 H new ATOM 0 HB3 ALA A 64 58.073 6.057 -7.019 1.00 0.00 H new