USER MOD reduce.3.24.130724 H: found=0, std=0, add=422, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 424 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 16 TYR OH : rot -148:sc= 0.714 USER MOD Set 1.2: A 42 MET CE :methyl -166:sc= -0.438 (180deg=-1.41) USER MOD Set 2.1: A 39 GLN : amide:sc= 0.0125 K(o=-1.5,f=-6.2!) USER MOD Set 2.2: A 40 GLN : amide:sc= -1.51 K(o=-1.5,f=-2.1) USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 MET CE :methyl 142:sc= -4.05! (180deg=-4.44!) USER MOD Single : A 11 THR OG1 : rot 137:sc= 0.13 USER MOD Single : A 14 LYS NZ :NH3+ -148:sc= -0.329 (180deg=-1.72!) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0178 F(o=-1.1,f=-0.018) USER MOD Single : A 25 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.771 USER MOD Single : A 28 GLN : amide:sc= -0.0166 K(o=-0.017,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 38 ASN : amide:sc= -4.82! C(o=-4.8!,f=-16!) USER MOD Single : A 41 ASN : amide:sc= -0.0229 X(o=-0.023,f=0) USER MOD Single : A 43 CYS SG : rot 180:sc= -1.92! USER MOD Single : A 46 TYR OH : rot 180:sc= -0.127 USER MOD Single : A 47 GLN : amide:sc= -3.73! C(o=-3.7!,f=-5.3!) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N SER A 8 2.150 6.063 -7.022 1.00 0.00 N ATOM 67 CA SER A 8 2.281 7.191 -6.108 1.00 0.00 C ATOM 68 C SER A 8 3.069 6.793 -4.864 1.00 0.00 C ATOM 69 O SER A 8 2.597 6.011 -4.037 1.00 0.00 O ATOM 70 CB SER A 8 0.899 7.710 -5.705 1.00 0.00 C ATOM 71 OG SER A 8 0.364 8.562 -6.703 1.00 0.00 O ATOM 0 HA SER A 8 2.824 7.984 -6.623 1.00 0.00 H new ATOM 0 HB2 SER A 8 0.225 6.869 -5.540 1.00 0.00 H new ATOM 0 HB3 SER A 8 0.971 8.250 -4.761 1.00 0.00 H new ATOM 0 HG SER A 8 -0.520 8.879 -6.423 1.00 0.00 H new ATOM 77 N THR A 9 4.276 7.337 -4.736 1.00 0.00 N ATOM 78 CA THR A 9 5.132 7.039 -3.595 1.00 0.00 C ATOM 79 C THR A 9 4.654 7.769 -2.344 1.00 0.00 C ATOM 80 O THR A 9 4.506 8.990 -2.346 1.00 0.00 O ATOM 81 CB THR A 9 6.596 7.428 -3.874 1.00 0.00 C ATOM 82 OG1 THR A 9 6.988 6.961 -5.170 1.00 0.00 O ATOM 83 CG2 THR A 9 7.522 6.844 -2.818 1.00 0.00 C ATOM 0 H THR A 9 4.682 7.987 -5.409 1.00 0.00 H new ATOM 0 HA THR A 9 5.075 5.963 -3.429 1.00 0.00 H new ATOM 0 HB THR A 9 6.673 8.515 -3.841 1.00 0.00 H new ATOM 0 HG1 THR A 9 7.919 7.214 -5.341 1.00 0.00 H new ATOM 0 HG21 THR A 9 8.550 7.132 -3.036 1.00 0.00 H new ATOM 0 HG22 THR A 9 7.239 7.224 -1.836 1.00 0.00 H new ATOM 0 HG23 THR A 9 7.441 5.757 -2.824 1.00 0.00 H new ATOM 91 N MET A 10 4.415 7.011 -1.278 1.00 0.00 N ATOM 92 CA MET A 10 3.956 7.587 -0.020 1.00 0.00 C ATOM 93 C MET A 10 4.878 7.189 1.129 1.00 0.00 C ATOM 94 O MET A 10 5.471 6.110 1.117 1.00 0.00 O ATOM 95 CB MET A 10 2.525 7.137 0.279 1.00 0.00 C ATOM 96 CG MET A 10 1.533 7.500 -0.813 1.00 0.00 C ATOM 97 SD MET A 10 0.780 9.119 -0.558 1.00 0.00 S ATOM 98 CE MET A 10 -0.544 8.702 0.574 1.00 0.00 C ATOM 0 H MET A 10 4.532 5.998 -1.261 1.00 0.00 H new ATOM 0 HA MET A 10 3.975 8.672 -0.118 1.00 0.00 H new ATOM 0 HB2 MET A 10 2.515 6.057 0.423 1.00 0.00 H new ATOM 0 HB3 MET A 10 2.200 7.586 1.217 1.00 0.00 H new ATOM 0 HG2 MET A 10 2.040 7.487 -1.778 1.00 0.00 H new ATOM 0 HG3 MET A 10 0.751 6.742 -0.854 1.00 0.00 H new ATOM 0 HE1 MET A 10 -0.655 9.496 1.312 1.00 0.00 H new ATOM 0 HE2 MET A 10 -1.475 8.589 0.019 1.00 0.00 H new ATOM 0 HE3 MET A 10 -0.308 7.766 1.081 1.00 0.00 H new ATOM 108 N THR A 11 4.994 8.067 2.120 1.00 0.00 N ATOM 109 CA THR A 11 5.844 7.807 3.275 1.00 0.00 C ATOM 110 C THR A 11 5.010 7.581 4.532 1.00 0.00 C ATOM 111 O THR A 11 4.124 8.373 4.852 1.00 0.00 O ATOM 112 CB THR A 11 6.823 8.970 3.525 1.00 0.00 C ATOM 113 OG1 THR A 11 7.603 9.215 2.349 1.00 0.00 O ATOM 114 CG2 THR A 11 7.744 8.660 4.695 1.00 0.00 C ATOM 0 H THR A 11 4.510 8.964 2.146 1.00 0.00 H new ATOM 0 HA THR A 11 6.413 6.904 3.052 1.00 0.00 H new ATOM 0 HB THR A 11 6.242 9.860 3.767 1.00 0.00 H new ATOM 0 HG1 THR A 11 7.672 10.181 2.198 1.00 0.00 H new ATOM 0 HG21 THR A 11 8.426 9.495 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 11 7.149 8.503 5.595 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.318 7.759 4.478 1.00 0.00 H new ATOM 122 N VAL A 12 5.300 6.494 5.241 1.00 0.00 N ATOM 123 CA VAL A 12 4.579 6.165 6.464 1.00 0.00 C ATOM 124 C VAL A 12 4.676 7.296 7.481 1.00 0.00 C ATOM 125 O VAL A 12 5.766 7.784 7.779 1.00 0.00 O ATOM 126 CB VAL A 12 5.116 4.869 7.101 1.00 0.00 C ATOM 127 CG1 VAL A 12 4.328 4.524 8.355 1.00 0.00 C ATOM 128 CG2 VAL A 12 5.068 3.725 6.100 1.00 0.00 C ATOM 0 H VAL A 12 6.029 5.827 4.989 1.00 0.00 H new ATOM 0 HA VAL A 12 3.535 6.019 6.186 1.00 0.00 H new ATOM 0 HB VAL A 12 6.156 5.029 7.387 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.722 3.606 8.791 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.418 5.336 9.076 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.278 4.383 8.098 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.451 2.817 6.566 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.038 3.563 5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 12 5.681 3.974 5.233 1.00 0.00 H new ATOM 138 N ILE A 13 3.529 7.708 8.012 1.00 0.00 N ATOM 139 CA ILE A 13 3.486 8.781 8.997 1.00 0.00 C ATOM 140 C ILE A 13 3.381 8.223 10.413 1.00 0.00 C ATOM 141 O ILE A 13 3.835 8.846 11.373 1.00 0.00 O ATOM 142 CB ILE A 13 2.301 9.731 8.743 1.00 0.00 C ATOM 143 CG1 ILE A 13 0.979 8.964 8.820 1.00 0.00 C ATOM 144 CG2 ILE A 13 2.447 10.410 7.390 1.00 0.00 C ATOM 145 CD1 ILE A 13 -0.235 9.861 8.917 1.00 0.00 C ATOM 0 H ILE A 13 2.618 7.315 7.776 1.00 0.00 H new ATOM 0 HA ILE A 13 4.417 9.339 8.897 1.00 0.00 H new ATOM 0 HB ILE A 13 2.299 10.500 9.515 1.00 0.00 H new ATOM 0 HG12 ILE A 13 0.884 8.331 7.938 1.00 0.00 H new ATOM 0 HG13 ILE A 13 1.002 8.302 9.686 1.00 0.00 H new ATOM 0 HG21 ILE A 13 1.602 11.078 7.225 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.373 10.984 7.369 1.00 0.00 H new ATOM 0 HG23 ILE A 13 2.471 9.655 6.605 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.136 9.250 8.968 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -0.162 10.476 9.814 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -0.283 10.505 8.039 1.00 0.00 H new ATOM 157 N LYS A 14 2.781 7.044 10.535 1.00 0.00 N ATOM 158 CA LYS A 14 2.619 6.398 11.833 1.00 0.00 C ATOM 159 C LYS A 14 2.818 4.890 11.719 1.00 0.00 C ATOM 160 O LYS A 14 2.671 4.315 10.641 1.00 0.00 O ATOM 161 CB LYS A 14 1.231 6.698 12.404 1.00 0.00 C ATOM 162 CG LYS A 14 0.926 8.182 12.512 1.00 0.00 C ATOM 163 CD LYS A 14 -0.568 8.451 12.437 1.00 0.00 C ATOM 164 CE LYS A 14 -1.227 8.322 13.801 1.00 0.00 C ATOM 165 NZ LYS A 14 -1.210 6.917 14.295 1.00 0.00 N ATOM 0 H LYS A 14 2.399 6.516 9.751 1.00 0.00 H new ATOM 0 HA LYS A 14 3.377 6.797 12.507 1.00 0.00 H new ATOM 0 HB2 LYS A 14 0.478 6.226 11.773 1.00 0.00 H new ATOM 0 HB3 LYS A 14 1.148 6.246 13.392 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.319 8.568 13.453 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.434 8.718 11.710 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.739 9.453 12.043 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.030 7.751 11.741 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.712 8.964 14.515 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -2.257 8.673 13.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -2.056 6.742 14.874 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -1.203 6.264 13.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.358 6.762 14.871 1.00 0.00 H new ATOM 179 N ASP A 15 3.153 4.257 12.838 1.00 0.00 N ATOM 180 CA ASP A 15 3.369 2.815 12.864 1.00 0.00 C ATOM 181 C ASP A 15 2.069 2.064 12.594 1.00 0.00 C ATOM 182 O ASP A 15 0.981 2.567 12.875 1.00 0.00 O ATOM 183 CB ASP A 15 3.948 2.389 14.214 1.00 0.00 C ATOM 184 CG ASP A 15 4.805 1.143 14.110 1.00 0.00 C ATOM 185 OD1 ASP A 15 5.610 1.054 13.159 1.00 0.00 O ATOM 186 OD2 ASP A 15 4.672 0.257 14.980 1.00 0.00 O ATOM 0 H ASP A 15 3.281 4.719 13.738 1.00 0.00 H new ATOM 0 HA ASP A 15 4.081 2.566 12.077 1.00 0.00 H new ATOM 0 HB2 ASP A 15 4.545 3.204 14.623 1.00 0.00 H new ATOM 0 HB3 ASP A 15 3.133 2.208 14.915 1.00 0.00 H new ATOM 191 N TYR A 16 2.189 0.860 12.047 1.00 0.00 N ATOM 192 CA TYR A 16 1.023 0.042 11.735 1.00 0.00 C ATOM 193 C TYR A 16 1.365 -1.443 11.807 1.00 0.00 C ATOM 194 O TYR A 16 2.376 -1.886 11.263 1.00 0.00 O ATOM 195 CB TYR A 16 0.488 0.387 10.344 1.00 0.00 C ATOM 196 CG TYR A 16 -0.675 -0.476 9.912 1.00 0.00 C ATOM 197 CD1 TYR A 16 -1.914 -0.369 10.533 1.00 0.00 C ATOM 198 CD2 TYR A 16 -0.537 -1.397 8.881 1.00 0.00 C ATOM 199 CE1 TYR A 16 -2.979 -1.156 10.142 1.00 0.00 C ATOM 200 CE2 TYR A 16 -1.598 -2.187 8.482 1.00 0.00 C ATOM 201 CZ TYR A 16 -2.816 -2.063 9.115 1.00 0.00 C ATOM 202 OH TYR A 16 -3.876 -2.848 8.722 1.00 0.00 O ATOM 0 H TYR A 16 3.082 0.428 11.810 1.00 0.00 H new ATOM 0 HA TYR A 16 0.252 0.256 12.476 1.00 0.00 H new ATOM 0 HB2 TYR A 16 0.178 1.432 10.332 1.00 0.00 H new ATOM 0 HB3 TYR A 16 1.295 0.285 9.618 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -2.046 0.342 11.335 1.00 0.00 H new ATOM 0 HD2 TYR A 16 0.416 -1.497 8.383 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -3.934 -1.062 10.637 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -1.474 -2.898 7.678 1.00 0.00 H new ATOM 0 HH TYR A 16 -3.542 -3.712 8.401 1.00 0.00 H new ATOM 212 N TYR A 17 0.514 -2.207 12.483 1.00 0.00 N ATOM 213 CA TYR A 17 0.724 -3.642 12.629 1.00 0.00 C ATOM 214 C TYR A 17 -0.218 -4.426 11.721 1.00 0.00 C ATOM 215 O TYR A 17 -1.407 -4.559 12.009 1.00 0.00 O ATOM 216 CB TYR A 17 0.517 -4.064 14.085 1.00 0.00 C ATOM 217 CG TYR A 17 -0.476 -3.200 14.830 1.00 0.00 C ATOM 218 CD1 TYR A 17 -0.149 -1.905 15.214 1.00 0.00 C ATOM 219 CD2 TYR A 17 -1.741 -3.679 15.149 1.00 0.00 C ATOM 220 CE1 TYR A 17 -1.053 -1.113 15.895 1.00 0.00 C ATOM 221 CE2 TYR A 17 -2.651 -2.893 15.829 1.00 0.00 C ATOM 222 CZ TYR A 17 -2.302 -1.611 16.200 1.00 0.00 C ATOM 223 OH TYR A 17 -3.205 -0.824 16.878 1.00 0.00 O ATOM 0 H TYR A 17 -0.328 -1.856 12.939 1.00 0.00 H new ATOM 0 HA TYR A 17 1.750 -3.865 12.336 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.176 -5.099 14.110 1.00 0.00 H new ATOM 0 HB3 TYR A 17 1.475 -4.032 14.604 1.00 0.00 H new ATOM 0 HD1 TYR A 17 0.828 -1.511 14.976 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -2.017 -4.682 14.860 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -0.783 -0.109 16.187 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -3.630 -3.280 16.069 1.00 0.00 H new ATOM 0 HH TYR A 17 -4.037 -1.323 17.013 1.00 0.00 H new ATOM 233 N ALA A 18 0.324 -4.944 10.624 1.00 0.00 N ATOM 234 CA ALA A 18 -0.466 -5.717 9.674 1.00 0.00 C ATOM 235 C ALA A 18 -1.396 -6.688 10.395 1.00 0.00 C ATOM 236 O ALA A 18 -0.945 -7.557 11.142 1.00 0.00 O ATOM 237 CB ALA A 18 0.447 -6.470 8.717 1.00 0.00 C ATOM 0 H ALA A 18 1.307 -4.842 10.371 1.00 0.00 H new ATOM 0 HA ALA A 18 -1.081 -5.023 9.101 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -0.157 -7.043 8.013 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.066 -5.759 8.169 1.00 0.00 H new ATOM 0 HB3 ALA A 18 1.087 -7.148 9.282 1.00 0.00 H new ATOM 243 N LEU A 19 -2.696 -6.534 10.167 1.00 0.00 N ATOM 244 CA LEU A 19 -3.690 -7.397 10.796 1.00 0.00 C ATOM 245 C LEU A 19 -3.906 -8.665 9.976 1.00 0.00 C ATOM 246 O LEU A 19 -4.140 -9.741 10.527 1.00 0.00 O ATOM 247 CB LEU A 19 -5.014 -6.648 10.958 1.00 0.00 C ATOM 248 CG LEU A 19 -5.039 -5.552 12.023 1.00 0.00 C ATOM 249 CD1 LEU A 19 -6.090 -4.506 11.688 1.00 0.00 C ATOM 250 CD2 LEU A 19 -5.299 -6.150 13.398 1.00 0.00 C ATOM 0 H LEU A 19 -3.086 -5.820 9.552 1.00 0.00 H new ATOM 0 HA LEU A 19 -3.318 -7.682 11.780 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -5.275 -6.201 9.999 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.792 -7.374 11.194 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.064 -5.065 12.039 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -6.093 -3.734 12.457 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.860 -4.055 10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.072 -4.978 11.644 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.313 -5.355 14.144 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.261 -6.663 13.396 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.509 -6.861 13.641 1.00 0.00 H new ATOM 262 N LYS A 20 -3.825 -8.532 8.657 1.00 0.00 N ATOM 263 CA LYS A 20 -4.008 -9.667 7.760 1.00 0.00 C ATOM 264 C LYS A 20 -2.665 -10.276 7.372 1.00 0.00 C ATOM 265 O LYS A 20 -1.633 -9.607 7.420 1.00 0.00 O ATOM 266 CB LYS A 20 -4.765 -9.233 6.503 1.00 0.00 C ATOM 267 CG LYS A 20 -6.250 -9.011 6.734 1.00 0.00 C ATOM 268 CD LYS A 20 -7.043 -10.291 6.532 1.00 0.00 C ATOM 269 CE LYS A 20 -8.407 -10.214 7.200 1.00 0.00 C ATOM 270 NZ LYS A 20 -9.298 -9.227 6.530 1.00 0.00 N ATOM 0 H LYS A 20 -3.634 -7.648 8.185 1.00 0.00 H new ATOM 0 HA LYS A 20 -4.592 -10.423 8.286 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.323 -8.312 6.123 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.635 -9.991 5.731 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -6.410 -8.639 7.746 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.615 -8.244 6.051 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.169 -10.477 5.465 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.485 -11.134 6.939 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.876 -11.198 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.283 -9.939 8.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.218 -9.204 7.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.862 -8.283 6.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -9.437 -9.503 5.537 1.00 0.00 H new ATOM 284 N GLU A 21 -2.686 -11.548 6.987 1.00 0.00 N ATOM 285 CA GLU A 21 -1.469 -12.246 6.590 1.00 0.00 C ATOM 286 C GLU A 21 -0.755 -11.500 5.466 1.00 0.00 C ATOM 287 O GLU A 21 0.461 -11.317 5.502 1.00 0.00 O ATOM 288 CB GLU A 21 -1.795 -13.673 6.143 1.00 0.00 C ATOM 289 CG GLU A 21 -2.151 -14.604 7.290 1.00 0.00 C ATOM 290 CD GLU A 21 -3.464 -14.236 7.953 1.00 0.00 C ATOM 291 OE1 GLU A 21 -4.394 -13.816 7.233 1.00 0.00 O ATOM 292 OE2 GLU A 21 -3.562 -14.368 9.191 1.00 0.00 O ATOM 0 H GLU A 21 -3.532 -12.116 6.942 1.00 0.00 H new ATOM 0 HA GLU A 21 -0.806 -12.286 7.454 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -2.627 -13.643 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -0.938 -14.082 5.607 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -2.210 -15.627 6.918 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -1.354 -14.581 8.033 1.00 0.00 H new ATOM 299 N ASN A 22 -1.522 -11.071 4.469 1.00 0.00 N ATOM 300 CA ASN A 22 -0.965 -10.345 3.333 1.00 0.00 C ATOM 301 C ASN A 22 -0.364 -9.016 3.779 1.00 0.00 C ATOM 302 O ASN A 22 0.770 -8.689 3.432 1.00 0.00 O ATOM 303 CB ASN A 22 -2.044 -10.101 2.277 1.00 0.00 C ATOM 304 CG ASN A 22 -1.475 -10.029 0.874 1.00 0.00 C ATOM 305 OD1 ASN A 22 -0.498 -9.151 0.677 1.00 0.00 O flip ATOM 306 ND2 ASN A 22 -1.908 -10.753 -0.022 1.00 0.00 N flip ATOM 0 H ASN A 22 -2.531 -11.213 4.425 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.173 -10.954 2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.783 -10.901 2.326 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.565 -9.171 2.503 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -2.660 -11.413 0.175 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -1.515 -10.693 -0.961 1.00 0.00 H new ATOM 313 N GLU A 23 -1.133 -8.254 4.551 1.00 0.00 N ATOM 314 CA GLU A 23 -0.676 -6.960 5.044 1.00 0.00 C ATOM 315 C GLU A 23 0.712 -7.075 5.669 1.00 0.00 C ATOM 316 O GLU A 23 1.049 -8.093 6.274 1.00 0.00 O ATOM 317 CB GLU A 23 -1.665 -6.403 6.071 1.00 0.00 C ATOM 318 CG GLU A 23 -3.031 -6.084 5.488 1.00 0.00 C ATOM 319 CD GLU A 23 -4.099 -5.936 6.554 1.00 0.00 C ATOM 320 OE1 GLU A 23 -3.765 -5.493 7.673 1.00 0.00 O ATOM 321 OE2 GLU A 23 -5.271 -6.264 6.269 1.00 0.00 O ATOM 0 H GLU A 23 -2.074 -8.510 4.848 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.619 -6.277 4.197 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.783 -7.126 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -1.247 -5.498 6.512 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.969 -5.162 4.910 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -3.320 -6.875 4.796 1.00 0.00 H new ATOM 328 N ILE A 24 1.511 -6.025 5.517 1.00 0.00 N ATOM 329 CA ILE A 24 2.861 -6.007 6.066 1.00 0.00 C ATOM 330 C ILE A 24 3.027 -4.881 7.081 1.00 0.00 C ATOM 331 O ILE A 24 2.400 -3.828 6.963 1.00 0.00 O ATOM 332 CB ILE A 24 3.917 -5.843 4.957 1.00 0.00 C ATOM 333 CG1 ILE A 24 3.743 -4.497 4.251 1.00 0.00 C ATOM 334 CG2 ILE A 24 3.820 -6.987 3.959 1.00 0.00 C ATOM 335 CD1 ILE A 24 4.822 -4.204 3.232 1.00 0.00 C ATOM 0 H ILE A 24 1.247 -5.175 5.018 1.00 0.00 H new ATOM 0 HA ILE A 24 3.013 -6.965 6.562 1.00 0.00 H new ATOM 0 HB ILE A 24 4.907 -5.867 5.413 1.00 0.00 H new ATOM 0 HG12 ILE A 24 2.772 -4.479 3.755 1.00 0.00 H new ATOM 0 HG13 ILE A 24 3.735 -3.703 4.998 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.573 -6.856 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.989 -7.933 4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 24 2.828 -6.992 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.634 -3.234 2.772 1.00 0.00 H new ATOM 0 HD12 ILE A 24 5.794 -4.189 3.725 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.817 -4.977 2.464 1.00 0.00 H new ATOM 347 N CYS A 25 3.877 -5.110 8.076 1.00 0.00 N ATOM 348 CA CYS A 25 4.127 -4.115 9.112 1.00 0.00 C ATOM 349 C CYS A 25 5.067 -3.026 8.605 1.00 0.00 C ATOM 350 O CYS A 25 6.091 -3.314 7.985 1.00 0.00 O ATOM 351 CB CYS A 25 4.721 -4.780 10.355 1.00 0.00 C ATOM 352 SG CYS A 25 3.742 -6.160 10.993 1.00 0.00 S ATOM 0 H CYS A 25 4.404 -5.976 8.187 1.00 0.00 H new ATOM 0 HA CYS A 25 3.175 -3.654 9.375 1.00 0.00 H new ATOM 0 HB2 CYS A 25 5.723 -5.138 10.119 1.00 0.00 H new ATOM 0 HB3 CYS A 25 4.827 -4.031 11.139 1.00 0.00 H new ATOM 0 HG CYS A 25 4.326 -6.658 12.042 1.00 0.00 H new ATOM 358 N VAL A 26 4.711 -1.773 8.871 1.00 0.00 N ATOM 359 CA VAL A 26 5.522 -0.641 8.441 1.00 0.00 C ATOM 360 C VAL A 26 5.931 0.225 9.627 1.00 0.00 C ATOM 361 O VAL A 26 5.311 0.172 10.690 1.00 0.00 O ATOM 362 CB VAL A 26 4.771 0.232 7.418 1.00 0.00 C ATOM 363 CG1 VAL A 26 4.452 -0.569 6.164 1.00 0.00 C ATOM 364 CG2 VAL A 26 3.501 0.800 8.034 1.00 0.00 C ATOM 0 H VAL A 26 3.866 -1.517 9.382 1.00 0.00 H new ATOM 0 HA VAL A 26 6.415 -1.053 7.970 1.00 0.00 H new ATOM 0 HB VAL A 26 5.415 1.065 7.135 1.00 0.00 H new ATOM 0 HG11 VAL A 26 3.921 0.064 5.453 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.379 -0.923 5.713 1.00 0.00 H new ATOM 0 HG13 VAL A 26 3.827 -1.422 6.427 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.983 1.414 7.298 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.851 -0.017 8.347 1.00 0.00 H new ATOM 0 HG23 VAL A 26 3.758 1.411 8.900 1.00 0.00 H new ATOM 374 N SER A 27 6.978 1.022 9.439 1.00 0.00 N ATOM 375 CA SER A 27 7.472 1.897 10.496 1.00 0.00 C ATOM 376 C SER A 27 7.348 3.362 10.089 1.00 0.00 C ATOM 377 O SER A 27 7.591 3.720 8.937 1.00 0.00 O ATOM 378 CB SER A 27 8.931 1.568 10.819 1.00 0.00 C ATOM 379 OG SER A 27 9.799 2.056 9.812 1.00 0.00 O ATOM 0 H SER A 27 7.500 1.080 8.565 1.00 0.00 H new ATOM 0 HA SER A 27 6.864 1.731 11.385 1.00 0.00 H new ATOM 0 HB2 SER A 27 9.201 2.006 11.780 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.051 0.489 10.915 1.00 0.00 H new ATOM 0 HG SER A 27 10.725 1.834 10.043 1.00 0.00 H new ATOM 385 N GLN A 28 6.967 4.204 11.045 1.00 0.00 N ATOM 386 CA GLN A 28 6.809 5.631 10.787 1.00 0.00 C ATOM 387 C GLN A 28 8.069 6.212 10.152 1.00 0.00 C ATOM 388 O GLN A 28 9.094 6.367 10.814 1.00 0.00 O ATOM 389 CB GLN A 28 6.489 6.373 12.085 1.00 0.00 C ATOM 390 CG GLN A 28 6.663 7.880 11.983 1.00 0.00 C ATOM 391 CD GLN A 28 6.242 8.603 13.248 1.00 0.00 C ATOM 392 OE1 GLN A 28 5.810 7.980 14.218 1.00 0.00 O ATOM 393 NE2 GLN A 28 6.366 9.925 13.243 1.00 0.00 N ATOM 0 H GLN A 28 6.762 3.923 12.004 1.00 0.00 H new ATOM 0 HA GLN A 28 5.981 5.759 10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.462 6.153 12.376 1.00 0.00 H new ATOM 0 HB3 GLN A 28 7.133 5.994 12.879 1.00 0.00 H new ATOM 0 HG2 GLN A 28 7.707 8.108 11.769 1.00 0.00 H new ATOM 0 HG3 GLN A 28 6.077 8.254 11.143 1.00 0.00 H new ATOM 0 HE21 GLN A 28 6.729 10.400 12.417 1.00 0.00 H new ATOM 0 HE22 GLN A 28 6.098 10.465 14.066 1.00 0.00 H new ATOM 402 N GLY A 29 7.984 6.531 8.864 1.00 0.00 N ATOM 403 CA GLY A 29 9.123 7.091 8.162 1.00 0.00 C ATOM 404 C GLY A 29 9.437 6.346 6.880 1.00 0.00 C ATOM 405 O GLY A 29 9.806 6.954 5.876 1.00 0.00 O ATOM 0 H GLY A 29 7.146 6.411 8.295 1.00 0.00 H new ATOM 0 HA2 GLY A 29 8.925 8.138 7.931 1.00 0.00 H new ATOM 0 HA3 GLY A 29 9.995 7.068 8.815 1.00 0.00 H new ATOM 409 N GLU A 30 9.293 5.025 6.914 1.00 0.00 N ATOM 410 CA GLU A 30 9.566 4.197 5.745 1.00 0.00 C ATOM 411 C GLU A 30 8.888 4.767 4.503 1.00 0.00 C ATOM 412 O GLU A 30 8.099 5.708 4.590 1.00 0.00 O ATOM 413 CB GLU A 30 9.091 2.762 5.987 1.00 0.00 C ATOM 414 CG GLU A 30 10.148 1.868 6.612 1.00 0.00 C ATOM 415 CD GLU A 30 11.427 1.820 5.799 1.00 0.00 C ATOM 416 OE1 GLU A 30 11.338 1.739 4.556 1.00 0.00 O ATOM 417 OE2 GLU A 30 12.518 1.865 6.407 1.00 0.00 O ATOM 0 H GLU A 30 8.989 4.506 7.738 1.00 0.00 H new ATOM 0 HA GLU A 30 10.643 4.192 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.215 2.783 6.636 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.775 2.328 5.038 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.374 2.226 7.616 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.750 0.859 6.716 1.00 0.00 H new ATOM 424 N VAL A 31 9.201 4.190 3.347 1.00 0.00 N ATOM 425 CA VAL A 31 8.622 4.639 2.087 1.00 0.00 C ATOM 426 C VAL A 31 8.286 3.457 1.184 1.00 0.00 C ATOM 427 O VAL A 31 9.111 2.567 0.976 1.00 0.00 O ATOM 428 CB VAL A 31 9.576 5.588 1.338 1.00 0.00 C ATOM 429 CG1 VAL A 31 8.938 6.077 0.046 1.00 0.00 C ATOM 430 CG2 VAL A 31 9.967 6.760 2.226 1.00 0.00 C ATOM 0 H VAL A 31 9.853 3.410 3.257 1.00 0.00 H new ATOM 0 HA VAL A 31 7.706 5.176 2.333 1.00 0.00 H new ATOM 0 HB VAL A 31 10.481 5.037 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.627 6.746 -0.469 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.713 5.224 -0.594 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.016 6.611 0.275 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.641 7.420 1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 31 9.073 7.312 2.514 1.00 0.00 H new ATOM 0 HG23 VAL A 31 10.468 6.388 3.120 1.00 0.00 H new ATOM 440 N VAL A 32 7.069 3.455 0.650 1.00 0.00 N ATOM 441 CA VAL A 32 6.623 2.383 -0.233 1.00 0.00 C ATOM 442 C VAL A 32 6.007 2.944 -1.509 1.00 0.00 C ATOM 443 O VAL A 32 6.009 4.154 -1.732 1.00 0.00 O ATOM 444 CB VAL A 32 5.595 1.473 0.465 1.00 0.00 C ATOM 445 CG1 VAL A 32 6.176 0.894 1.746 1.00 0.00 C ATOM 446 CG2 VAL A 32 4.313 2.240 0.750 1.00 0.00 C ATOM 0 H VAL A 32 6.374 4.184 0.813 1.00 0.00 H new ATOM 0 HA VAL A 32 7.504 1.794 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 32 5.356 0.645 -0.203 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.435 0.254 2.225 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.064 0.308 1.510 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.446 1.705 2.422 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.597 1.582 1.243 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.533 3.088 1.398 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.888 2.600 -0.187 1.00 0.00 H new ATOM 456 N GLN A 33 5.479 2.054 -2.345 1.00 0.00 N ATOM 457 CA GLN A 33 4.859 2.461 -3.600 1.00 0.00 C ATOM 458 C GLN A 33 3.482 1.824 -3.758 1.00 0.00 C ATOM 459 O GLN A 33 3.354 0.601 -3.809 1.00 0.00 O ATOM 460 CB GLN A 33 5.750 2.075 -4.782 1.00 0.00 C ATOM 461 CG GLN A 33 6.757 3.149 -5.160 1.00 0.00 C ATOM 462 CD GLN A 33 8.025 2.575 -5.760 1.00 0.00 C ATOM 463 OE1 GLN A 33 7.976 1.675 -6.599 1.00 0.00 O ATOM 464 NE2 GLN A 33 9.171 3.093 -5.334 1.00 0.00 N ATOM 0 H GLN A 33 5.469 1.048 -2.175 1.00 0.00 H new ATOM 0 HA GLN A 33 4.739 3.544 -3.582 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.285 1.157 -4.539 1.00 0.00 H new ATOM 0 HB3 GLN A 33 5.121 1.858 -5.645 1.00 0.00 H new ATOM 0 HG2 GLN A 33 6.300 3.835 -5.873 1.00 0.00 H new ATOM 0 HG3 GLN A 33 7.010 3.732 -4.275 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.166 3.838 -4.637 1.00 0.00 H new ATOM 0 HE22 GLN A 33 10.056 2.746 -5.704 1.00 0.00 H new ATOM 473 N VAL A 34 2.453 2.662 -3.834 1.00 0.00 N ATOM 474 CA VAL A 34 1.085 2.182 -3.986 1.00 0.00 C ATOM 475 C VAL A 34 0.906 1.441 -5.307 1.00 0.00 C ATOM 476 O VAL A 34 1.513 1.797 -6.318 1.00 0.00 O ATOM 477 CB VAL A 34 0.072 3.340 -3.919 1.00 0.00 C ATOM 478 CG1 VAL A 34 -1.339 2.831 -4.169 1.00 0.00 C ATOM 479 CG2 VAL A 34 0.162 4.049 -2.576 1.00 0.00 C ATOM 0 H VAL A 34 2.541 3.677 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 34 0.897 1.497 -3.159 1.00 0.00 H new ATOM 0 HB VAL A 34 0.316 4.059 -4.701 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.041 3.664 -4.118 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -1.391 2.373 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.598 2.091 -3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.561 4.864 -2.546 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.056 3.342 -1.776 1.00 0.00 H new ATOM 0 HG23 VAL A 34 1.167 4.450 -2.443 1.00 0.00 H new ATOM 489 N LEU A 35 0.070 0.410 -5.292 1.00 0.00 N ATOM 490 CA LEU A 35 -0.190 -0.383 -6.489 1.00 0.00 C ATOM 491 C LEU A 35 -1.674 -0.366 -6.841 1.00 0.00 C ATOM 492 O LEU A 35 -2.043 -0.295 -8.013 1.00 0.00 O ATOM 493 CB LEU A 35 0.282 -1.823 -6.284 1.00 0.00 C ATOM 494 CG LEU A 35 1.778 -2.010 -6.032 1.00 0.00 C ATOM 495 CD1 LEU A 35 2.117 -3.487 -5.897 1.00 0.00 C ATOM 496 CD2 LEU A 35 2.591 -1.375 -7.151 1.00 0.00 C ATOM 0 H LEU A 35 -0.440 0.103 -4.464 1.00 0.00 H new ATOM 0 HA LEU A 35 0.366 0.059 -7.316 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.264 -2.246 -5.441 1.00 0.00 H new ATOM 0 HB3 LEU A 35 0.007 -2.403 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 35 2.034 -1.513 -5.096 1.00 0.00 H new ATOM 0 HD11 LEU A 35 3.186 -3.600 -5.718 1.00 0.00 H new ATOM 0 HD12 LEU A 35 1.562 -3.913 -5.061 1.00 0.00 H new ATOM 0 HD13 LEU A 35 1.846 -4.008 -6.815 1.00 0.00 H new ATOM 0 HD21 LEU A 35 3.654 -1.518 -6.955 1.00 0.00 H new ATOM 0 HD22 LEU A 35 2.331 -1.843 -8.100 1.00 0.00 H new ATOM 0 HD23 LEU A 35 2.371 -0.309 -7.200 1.00 0.00 H new ATOM 508 N ALA A 36 -2.520 -0.432 -5.819 1.00 0.00 N ATOM 509 CA ALA A 36 -3.964 -0.421 -6.020 1.00 0.00 C ATOM 510 C ALA A 36 -4.703 -0.338 -4.688 1.00 0.00 C ATOM 511 O ALA A 36 -4.085 -0.236 -3.629 1.00 0.00 O ATOM 512 CB ALA A 36 -4.399 -1.657 -6.792 1.00 0.00 C ATOM 0 H ALA A 36 -2.231 -0.494 -4.843 1.00 0.00 H new ATOM 0 HA ALA A 36 -4.218 0.465 -6.602 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.479 -1.635 -6.935 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -3.905 -1.672 -7.763 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.125 -2.551 -6.232 1.00 0.00 H new ATOM 518 N VAL A 37 -6.030 -0.384 -4.750 1.00 0.00 N ATOM 519 CA VAL A 37 -6.854 -0.315 -3.549 1.00 0.00 C ATOM 520 C VAL A 37 -7.909 -1.415 -3.542 1.00 0.00 C ATOM 521 O VAL A 37 -8.532 -1.697 -4.565 1.00 0.00 O ATOM 522 CB VAL A 37 -7.552 1.052 -3.425 1.00 0.00 C ATOM 523 CG1 VAL A 37 -8.491 1.066 -2.228 1.00 0.00 C ATOM 524 CG2 VAL A 37 -6.523 2.168 -3.318 1.00 0.00 C ATOM 0 H VAL A 37 -6.557 -0.469 -5.619 1.00 0.00 H new ATOM 0 HA VAL A 37 -6.186 -0.452 -2.699 1.00 0.00 H new ATOM 0 HB VAL A 37 -8.145 1.220 -4.324 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -8.975 2.040 -2.157 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.249 0.292 -2.351 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -7.923 0.876 -1.318 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.034 3.127 -3.231 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -5.902 2.007 -2.437 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -5.895 2.171 -4.209 1.00 0.00 H new ATOM 534 N ASN A 38 -8.105 -2.033 -2.382 1.00 0.00 N ATOM 535 CA ASN A 38 -9.086 -3.103 -2.242 1.00 0.00 C ATOM 536 C ASN A 38 -10.394 -2.569 -1.667 1.00 0.00 C ATOM 537 O ASN A 38 -10.511 -1.383 -1.361 1.00 0.00 O ATOM 538 CB ASN A 38 -8.536 -4.213 -1.344 1.00 0.00 C ATOM 539 CG ASN A 38 -8.417 -3.779 0.104 1.00 0.00 C ATOM 540 OD1 ASN A 38 -8.811 -2.670 0.466 1.00 0.00 O ATOM 541 ND2 ASN A 38 -7.871 -4.654 0.941 1.00 0.00 N ATOM 0 H ASN A 38 -7.598 -1.811 -1.525 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.285 -3.512 -3.233 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.188 -5.084 -1.407 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -7.557 -4.521 -1.710 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.764 -4.418 1.928 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.558 -5.562 0.597 1.00 0.00 H new ATOM 548 N GLN A 39 -11.375 -3.455 -1.522 1.00 0.00 N ATOM 549 CA GLN A 39 -12.675 -3.072 -0.984 1.00 0.00 C ATOM 550 C GLN A 39 -12.607 -2.894 0.529 1.00 0.00 C ATOM 551 O GLN A 39 -13.617 -2.622 1.178 1.00 0.00 O ATOM 552 CB GLN A 39 -13.727 -4.125 -1.338 1.00 0.00 C ATOM 553 CG GLN A 39 -13.411 -5.508 -0.792 1.00 0.00 C ATOM 554 CD GLN A 39 -12.563 -6.331 -1.742 1.00 0.00 C ATOM 555 OE1 GLN A 39 -11.334 -6.274 -1.703 1.00 0.00 O ATOM 556 NE2 GLN A 39 -13.217 -7.103 -2.602 1.00 0.00 N ATOM 0 H GLN A 39 -11.294 -4.441 -1.769 1.00 0.00 H new ATOM 0 HA GLN A 39 -12.959 -2.119 -1.431 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -14.695 -3.804 -0.953 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -13.819 -4.184 -2.422 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -12.890 -5.408 0.160 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -14.343 -6.037 -0.592 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -14.237 -7.119 -2.599 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -12.699 -7.680 -3.265 1.00 0.00 H new ATOM 565 N GLN A 40 -11.409 -3.050 1.085 1.00 0.00 N ATOM 566 CA GLN A 40 -11.210 -2.906 2.522 1.00 0.00 C ATOM 567 C GLN A 40 -10.559 -1.567 2.851 1.00 0.00 C ATOM 568 O GLN A 40 -9.998 -1.387 3.931 1.00 0.00 O ATOM 569 CB GLN A 40 -10.347 -4.051 3.055 1.00 0.00 C ATOM 570 CG GLN A 40 -11.150 -5.267 3.490 1.00 0.00 C ATOM 571 CD GLN A 40 -11.713 -6.044 2.316 1.00 0.00 C ATOM 572 OE1 GLN A 40 -11.013 -6.308 1.338 1.00 0.00 O ATOM 573 NE2 GLN A 40 -12.985 -6.414 2.407 1.00 0.00 N ATOM 0 H GLN A 40 -10.563 -3.276 0.562 1.00 0.00 H new ATOM 0 HA GLN A 40 -12.187 -2.941 3.004 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.639 -4.351 2.283 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.762 -3.691 3.901 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -10.515 -5.924 4.085 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.968 -4.946 4.135 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -13.528 -6.174 3.236 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.419 -6.939 1.648 1.00 0.00 H new ATOM 582 N ASN A 41 -10.637 -0.630 1.911 1.00 0.00 N ATOM 583 CA ASN A 41 -10.053 0.693 2.101 1.00 0.00 C ATOM 584 C ASN A 41 -8.546 0.597 2.315 1.00 0.00 C ATOM 585 O ASN A 41 -7.949 1.440 2.984 1.00 0.00 O ATOM 586 CB ASN A 41 -10.706 1.394 3.294 1.00 0.00 C ATOM 587 CG ASN A 41 -11.957 2.158 2.902 1.00 0.00 C ATOM 588 OD1 ASN A 41 -13.065 1.800 3.300 1.00 0.00 O ATOM 589 ND2 ASN A 41 -11.783 3.215 2.118 1.00 0.00 N ATOM 0 H ASN A 41 -11.098 -0.762 1.011 1.00 0.00 H new ATOM 0 HA ASN A 41 -10.237 1.277 1.199 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.959 0.654 4.053 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -9.990 2.081 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.587 3.768 1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.845 3.475 1.813 1.00 0.00 H new ATOM 596 N MET A 42 -7.937 -0.436 1.743 1.00 0.00 N ATOM 597 CA MET A 42 -6.498 -0.640 1.870 1.00 0.00 C ATOM 598 C MET A 42 -5.785 -0.311 0.563 1.00 0.00 C ATOM 599 O MET A 42 -6.412 -0.225 -0.494 1.00 0.00 O ATOM 600 CB MET A 42 -6.201 -2.085 2.276 1.00 0.00 C ATOM 601 CG MET A 42 -6.860 -2.497 3.583 1.00 0.00 C ATOM 602 SD MET A 42 -6.075 -1.747 5.023 1.00 0.00 S ATOM 603 CE MET A 42 -4.521 -2.637 5.062 1.00 0.00 C ATOM 0 H MET A 42 -8.416 -1.144 1.187 1.00 0.00 H new ATOM 0 HA MET A 42 -6.128 0.032 2.644 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.537 -2.753 1.483 1.00 0.00 H new ATOM 0 HB3 MET A 42 -5.122 -2.214 2.366 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.913 -2.215 3.560 1.00 0.00 H new ATOM 0 HG3 MET A 42 -6.823 -3.582 3.678 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.032 -2.474 6.022 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.708 -3.702 4.927 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.876 -2.277 4.261 1.00 0.00 H new ATOM 613 N CYS A 43 -4.471 -0.127 0.641 1.00 0.00 N ATOM 614 CA CYS A 43 -3.673 0.195 -0.537 1.00 0.00 C ATOM 615 C CYS A 43 -2.493 -0.762 -0.671 1.00 0.00 C ATOM 616 O CYS A 43 -1.647 -0.852 0.220 1.00 0.00 O ATOM 617 CB CYS A 43 -3.169 1.637 -0.459 1.00 0.00 C ATOM 618 SG CYS A 43 -4.477 2.882 -0.557 1.00 0.00 S ATOM 0 H CYS A 43 -3.936 -0.195 1.507 1.00 0.00 H new ATOM 0 HA CYS A 43 -4.308 0.087 -1.417 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -2.625 1.770 0.476 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -2.459 1.807 -1.268 1.00 0.00 H new ATOM 0 HG CYS A 43 -3.953 4.069 -0.480 1.00 0.00 H new ATOM 624 N LEU A 44 -2.443 -1.477 -1.790 1.00 0.00 N ATOM 625 CA LEU A 44 -1.367 -2.430 -2.041 1.00 0.00 C ATOM 626 C LEU A 44 -0.049 -1.707 -2.302 1.00 0.00 C ATOM 627 O LEU A 44 0.176 -1.179 -3.392 1.00 0.00 O ATOM 628 CB LEU A 44 -1.718 -3.322 -3.233 1.00 0.00 C ATOM 629 CG LEU A 44 -0.695 -4.403 -3.586 1.00 0.00 C ATOM 630 CD1 LEU A 44 -0.356 -5.238 -2.361 1.00 0.00 C ATOM 631 CD2 LEU A 44 -1.220 -5.287 -4.708 1.00 0.00 C ATOM 0 H LEU A 44 -3.134 -1.415 -2.537 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.249 -3.051 -1.153 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -2.673 -3.806 -3.030 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.862 -2.687 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 44 0.217 -3.915 -3.931 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.373 -6.002 -2.632 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.062 -4.595 -1.587 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.260 -5.717 -1.985 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.480 -6.051 -4.946 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.146 -5.766 -4.391 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.411 -4.678 -5.592 1.00 0.00 H new ATOM 643 N VAL A 45 0.819 -1.689 -1.296 1.00 0.00 N ATOM 644 CA VAL A 45 2.116 -1.034 -1.418 1.00 0.00 C ATOM 645 C VAL A 45 3.244 -2.057 -1.486 1.00 0.00 C ATOM 646 O VAL A 45 3.229 -3.062 -0.775 1.00 0.00 O ATOM 647 CB VAL A 45 2.376 -0.078 -0.238 1.00 0.00 C ATOM 648 CG1 VAL A 45 1.498 1.159 -0.349 1.00 0.00 C ATOM 649 CG2 VAL A 45 2.141 -0.791 1.086 1.00 0.00 C ATOM 0 H VAL A 45 0.648 -2.120 -0.388 1.00 0.00 H new ATOM 0 HA VAL A 45 2.094 -0.459 -2.344 1.00 0.00 H new ATOM 0 HB VAL A 45 3.418 0.241 -0.274 1.00 0.00 H new ATOM 0 HG11 VAL A 45 1.696 1.822 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 45 1.719 1.680 -1.281 1.00 0.00 H new ATOM 0 HG13 VAL A 45 0.449 0.863 -0.339 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.329 -0.101 1.909 1.00 0.00 H new ATOM 0 HG22 VAL A 45 1.109 -1.140 1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.816 -1.643 1.165 1.00 0.00 H new ATOM 659 N TYR A 46 4.222 -1.795 -2.347 1.00 0.00 N ATOM 660 CA TYR A 46 5.358 -2.694 -2.510 1.00 0.00 C ATOM 661 C TYR A 46 6.516 -2.278 -1.608 1.00 0.00 C ATOM 662 O TYR A 46 7.145 -1.244 -1.826 1.00 0.00 O ATOM 663 CB TYR A 46 5.815 -2.712 -3.970 1.00 0.00 C ATOM 664 CG TYR A 46 7.004 -3.612 -4.221 1.00 0.00 C ATOM 665 CD1 TYR A 46 8.285 -3.224 -3.849 1.00 0.00 C ATOM 666 CD2 TYR A 46 6.845 -4.851 -4.829 1.00 0.00 C ATOM 667 CE1 TYR A 46 9.374 -4.043 -4.077 1.00 0.00 C ATOM 668 CE2 TYR A 46 7.928 -5.677 -5.060 1.00 0.00 C ATOM 669 CZ TYR A 46 9.190 -5.268 -4.683 1.00 0.00 C ATOM 670 OH TYR A 46 10.272 -6.088 -4.911 1.00 0.00 O ATOM 0 H TYR A 46 4.250 -0.967 -2.942 1.00 0.00 H new ATOM 0 HA TYR A 46 5.040 -3.696 -2.223 1.00 0.00 H new ATOM 0 HB2 TYR A 46 4.985 -3.037 -4.598 1.00 0.00 H new ATOM 0 HB3 TYR A 46 6.068 -1.697 -4.276 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.432 -2.266 -3.373 1.00 0.00 H new ATOM 0 HD2 TYR A 46 5.858 -5.174 -5.126 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.363 -3.726 -3.782 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.787 -6.638 -5.533 1.00 0.00 H new ATOM 0 HH TYR A 46 9.971 -6.914 -5.344 1.00 0.00 H new ATOM 680 N GLN A 47 6.790 -3.093 -0.595 1.00 0.00 N ATOM 681 CA GLN A 47 7.872 -2.811 0.341 1.00 0.00 C ATOM 682 C GLN A 47 9.169 -3.474 -0.110 1.00 0.00 C ATOM 683 O GLN A 47 9.306 -4.697 -0.098 1.00 0.00 O ATOM 684 CB GLN A 47 7.500 -3.293 1.744 1.00 0.00 C ATOM 685 CG GLN A 47 8.675 -3.323 2.708 1.00 0.00 C ATOM 686 CD GLN A 47 8.239 -3.445 4.155 1.00 0.00 C ATOM 687 OE1 GLN A 47 7.494 -4.357 4.517 1.00 0.00 O ATOM 688 NE2 GLN A 47 8.703 -2.525 4.993 1.00 0.00 N ATOM 0 H GLN A 47 6.278 -3.954 -0.401 1.00 0.00 H new ATOM 0 HA GLN A 47 8.026 -1.732 0.364 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.725 -2.642 2.149 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.072 -4.293 1.674 1.00 0.00 H new ATOM 0 HG2 GLN A 47 9.325 -4.161 2.456 1.00 0.00 H new ATOM 0 HG3 GLN A 47 9.264 -2.414 2.585 1.00 0.00 H new ATOM 0 HE21 GLN A 47 9.318 -1.787 4.650 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.444 -2.557 5.979 1.00 0.00 H new ATOM 697 N PRO A 48 10.144 -2.649 -0.520 1.00 0.00 N ATOM 698 CA PRO A 48 11.448 -3.134 -0.983 1.00 0.00 C ATOM 699 C PRO A 48 12.284 -3.720 0.150 1.00 0.00 C ATOM 700 O PRO A 48 12.030 -3.454 1.324 1.00 0.00 O ATOM 701 CB PRO A 48 12.115 -1.876 -1.544 1.00 0.00 C ATOM 702 CG PRO A 48 11.467 -0.748 -0.819 1.00 0.00 C ATOM 703 CD PRO A 48 10.050 -1.180 -0.561 1.00 0.00 C ATOM 0 HA PRO A 48 11.349 -3.941 -1.709 1.00 0.00 H new ATOM 0 HB2 PRO A 48 13.192 -1.889 -1.374 1.00 0.00 H new ATOM 0 HB3 PRO A 48 11.963 -1.794 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 48 11.986 -0.535 0.115 1.00 0.00 H new ATOM 0 HG3 PRO A 48 11.494 0.165 -1.414 1.00 0.00 H new ATOM 0 HD2 PRO A 48 9.671 -0.775 0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 48 9.377 -0.842 -1.349 1.00 0.00 H new ATOM 711 N ALA A 49 13.284 -4.519 -0.211 1.00 0.00 N ATOM 712 CA ALA A 49 14.159 -5.140 0.775 1.00 0.00 C ATOM 713 C ALA A 49 14.506 -4.163 1.894 1.00 0.00 C ATOM 714 O ALA A 49 14.875 -3.017 1.638 1.00 0.00 O ATOM 715 CB ALA A 49 15.426 -5.653 0.107 1.00 0.00 C ATOM 0 H ALA A 49 13.507 -4.751 -1.179 1.00 0.00 H new ATOM 0 HA ALA A 49 13.628 -5.983 1.217 1.00 0.00 H new ATOM 0 HB1 ALA A 49 16.071 -6.114 0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 49 15.164 -6.391 -0.651 1.00 0.00 H new ATOM 0 HB3 ALA A 49 15.952 -4.822 -0.362 1.00 0.00 H new ATOM 787 N ALA A 55 12.368 -7.739 0.251 1.00 0.00 N ATOM 788 CA ALA A 55 11.340 -7.290 -0.680 1.00 0.00 C ATOM 789 C ALA A 55 10.066 -8.114 -0.529 1.00 0.00 C ATOM 790 O ALA A 55 10.107 -9.344 -0.526 1.00 0.00 O ATOM 791 CB ALA A 55 11.854 -7.365 -2.110 1.00 0.00 C ATOM 0 HA ALA A 55 11.100 -6.253 -0.446 1.00 0.00 H new ATOM 0 HB1 ALA A 55 11.076 -7.027 -2.794 1.00 0.00 H new ATOM 0 HB2 ALA A 55 12.732 -6.728 -2.215 1.00 0.00 H new ATOM 0 HB3 ALA A 55 12.123 -8.395 -2.346 1.00 0.00 H new ATOM 797 N ALA A 56 8.934 -7.428 -0.404 1.00 0.00 N ATOM 798 CA ALA A 56 7.648 -8.096 -0.254 1.00 0.00 C ATOM 799 C ALA A 56 6.495 -7.129 -0.498 1.00 0.00 C ATOM 800 O ALA A 56 6.567 -5.957 -0.129 1.00 0.00 O ATOM 801 CB ALA A 56 7.534 -8.718 1.130 1.00 0.00 C ATOM 0 H ALA A 56 8.882 -6.409 -0.404 1.00 0.00 H new ATOM 0 HA ALA A 56 7.588 -8.887 -1.002 1.00 0.00 H new ATOM 0 HB1 ALA A 56 6.568 -9.214 1.228 1.00 0.00 H new ATOM 0 HB2 ALA A 56 8.332 -9.448 1.268 1.00 0.00 H new ATOM 0 HB3 ALA A 56 7.620 -7.939 1.887 1.00 0.00 H new ATOM 807 N GLU A 57 5.432 -7.628 -1.122 1.00 0.00 N ATOM 808 CA GLU A 57 4.264 -6.806 -1.417 1.00 0.00 C ATOM 809 C GLU A 57 3.194 -6.977 -0.343 1.00 0.00 C ATOM 810 O GLU A 57 2.653 -8.066 -0.157 1.00 0.00 O ATOM 811 CB GLU A 57 3.690 -7.169 -2.787 1.00 0.00 C ATOM 812 CG GLU A 57 2.869 -6.056 -3.418 1.00 0.00 C ATOM 813 CD GLU A 57 1.888 -6.570 -4.454 1.00 0.00 C ATOM 814 OE1 GLU A 57 1.044 -7.420 -4.102 1.00 0.00 O ATOM 815 OE2 GLU A 57 1.965 -6.121 -5.617 1.00 0.00 O ATOM 0 H GLU A 57 5.356 -8.597 -1.433 1.00 0.00 H new ATOM 0 HA GLU A 57 4.579 -5.763 -1.429 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.509 -7.429 -3.457 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.066 -8.057 -2.686 1.00 0.00 H new ATOM 0 HG2 GLU A 57 2.323 -5.525 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.540 -5.335 -3.885 1.00 0.00 H new ATOM 822 N GLY A 58 2.893 -5.891 0.363 1.00 0.00 N ATOM 823 CA GLY A 58 1.890 -5.941 1.411 1.00 0.00 C ATOM 824 C GLY A 58 0.889 -4.807 1.310 1.00 0.00 C ATOM 825 O GLY A 58 1.173 -3.772 0.708 1.00 0.00 O ATOM 0 H GLY A 58 3.326 -4.977 0.228 1.00 0.00 H new ATOM 0 HA2 GLY A 58 1.362 -6.893 1.359 1.00 0.00 H new ATOM 0 HA3 GLY A 58 2.382 -5.902 2.383 1.00 0.00 H new ATOM 829 N TRP A 59 -0.285 -5.003 1.898 1.00 0.00 N ATOM 830 CA TRP A 59 -1.333 -3.988 1.870 1.00 0.00 C ATOM 831 C TRP A 59 -1.283 -3.120 3.121 1.00 0.00 C ATOM 832 O TRP A 59 -1.079 -3.619 4.228 1.00 0.00 O ATOM 833 CB TRP A 59 -2.707 -4.648 1.746 1.00 0.00 C ATOM 834 CG TRP A 59 -2.919 -5.338 0.432 1.00 0.00 C ATOM 835 CD1 TRP A 59 -2.370 -6.522 0.030 1.00 0.00 C ATOM 836 CD2 TRP A 59 -3.737 -4.884 -0.652 1.00 0.00 C ATOM 837 NE1 TRP A 59 -2.797 -6.832 -1.238 1.00 0.00 N ATOM 838 CE2 TRP A 59 -3.637 -5.843 -1.679 1.00 0.00 C ATOM 839 CE3 TRP A 59 -4.545 -3.762 -0.854 1.00 0.00 C ATOM 840 CZ2 TRP A 59 -4.315 -5.712 -2.888 1.00 0.00 C ATOM 841 CZ3 TRP A 59 -5.217 -3.633 -2.055 1.00 0.00 C ATOM 842 CH2 TRP A 59 -5.099 -4.603 -3.059 1.00 0.00 C ATOM 0 H TRP A 59 -0.536 -5.855 2.400 1.00 0.00 H new ATOM 0 HA TRP A 59 -1.164 -3.351 1.002 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.828 -5.372 2.552 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -3.479 -3.890 1.879 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -1.699 -7.126 0.622 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -2.532 -7.664 -1.766 1.00 0.00 H new ATOM 0 HE3 TRP A 59 -4.643 -3.009 -0.086 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -4.226 -6.459 -3.663 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 -5.844 -2.770 -2.222 1.00 0.00 H new ATOM 0 HH2 TRP A 59 -5.637 -4.473 -3.986 1.00 0.00 H new ATOM 853 N VAL A 60 -1.470 -1.816 2.940 1.00 0.00 N ATOM 854 CA VAL A 60 -1.448 -0.878 4.056 1.00 0.00 C ATOM 855 C VAL A 60 -2.579 0.138 3.942 1.00 0.00 C ATOM 856 O VAL A 60 -3.036 0.477 2.850 1.00 0.00 O ATOM 857 CB VAL A 60 -0.105 -0.128 4.131 1.00 0.00 C ATOM 858 CG1 VAL A 60 1.054 -1.111 4.190 1.00 0.00 C ATOM 859 CG2 VAL A 60 0.045 0.815 2.947 1.00 0.00 C ATOM 0 H VAL A 60 -1.638 -1.386 2.031 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.580 -1.464 4.965 1.00 0.00 H new ATOM 0 HB VAL A 60 -0.092 0.467 5.044 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.994 -0.562 4.243 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.952 -1.741 5.073 1.00 0.00 H new ATOM 0 HG13 VAL A 60 1.048 -1.735 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.000 1.337 3.016 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.010 0.243 2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.767 1.542 2.956 1.00 0.00 H new ATOM 869 N PRO A 61 -3.044 0.637 5.097 1.00 0.00 N ATOM 870 CA PRO A 61 -4.128 1.623 5.154 1.00 0.00 C ATOM 871 C PRO A 61 -3.699 2.987 4.624 1.00 0.00 C ATOM 872 O PRO A 61 -2.579 3.434 4.865 1.00 0.00 O ATOM 873 CB PRO A 61 -4.451 1.708 6.648 1.00 0.00 C ATOM 874 CG PRO A 61 -3.193 1.299 7.332 1.00 0.00 C ATOM 875 CD PRO A 61 -2.547 0.278 6.436 1.00 0.00 C ATOM 0 HA PRO A 61 -4.977 1.332 4.536 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.746 2.718 6.932 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.278 1.049 6.912 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.536 2.155 7.485 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.403 0.878 8.315 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.459 0.328 6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -2.833 -0.737 6.712 1.00 0.00 H new ATOM 883 N GLY A 62 -4.600 3.644 3.899 1.00 0.00 N ATOM 884 CA GLY A 62 -4.295 4.951 3.346 1.00 0.00 C ATOM 885 C GLY A 62 -4.344 6.048 4.390 1.00 0.00 C ATOM 886 O GLY A 62 -4.290 7.233 4.059 1.00 0.00 O ATOM 0 H GLY A 62 -5.534 3.295 3.685 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -3.304 4.928 2.894 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -5.003 5.180 2.550 1.00 0.00 H new ATOM 890 N SER A 63 -4.447 5.654 5.656 1.00 0.00 N ATOM 891 CA SER A 63 -4.508 6.614 6.752 1.00 0.00 C ATOM 892 C SER A 63 -3.107 6.983 7.230 1.00 0.00 C ATOM 893 O SER A 63 -2.813 8.153 7.480 1.00 0.00 O ATOM 894 CB SER A 63 -5.321 6.040 7.915 1.00 0.00 C ATOM 895 OG SER A 63 -6.709 6.239 7.714 1.00 0.00 O ATOM 0 H SER A 63 -4.490 4.677 5.947 1.00 0.00 H new ATOM 0 HA SER A 63 -4.997 7.516 6.385 1.00 0.00 H new ATOM 0 HB2 SER A 63 -5.114 4.975 8.016 1.00 0.00 H new ATOM 0 HB3 SER A 63 -5.014 6.515 8.847 1.00 0.00 H new ATOM 0 HG SER A 63 -7.206 5.862 8.470 1.00 0.00 H new ATOM 901 N ILE A 64 -2.247 5.978 7.353 1.00 0.00 N ATOM 902 CA ILE A 64 -0.876 6.197 7.799 1.00 0.00 C ATOM 903 C ILE A 64 0.042 6.509 6.623 1.00 0.00 C ATOM 904 O ILE A 64 1.265 6.424 6.736 1.00 0.00 O ATOM 905 CB ILE A 64 -0.327 4.971 8.553 1.00 0.00 C ATOM 906 CG1 ILE A 64 -0.064 3.822 7.577 1.00 0.00 C ATOM 907 CG2 ILE A 64 -1.300 4.537 9.640 1.00 0.00 C ATOM 908 CD1 ILE A 64 0.760 2.701 8.173 1.00 0.00 C ATOM 0 H ILE A 64 -2.475 5.005 7.150 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.897 7.051 8.476 1.00 0.00 H new ATOM 0 HB ILE A 64 0.616 5.246 9.026 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -1.018 3.420 7.236 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.449 4.212 6.698 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -0.898 3.670 10.163 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.443 5.354 10.348 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -2.257 4.276 9.189 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.908 1.921 7.426 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.728 3.089 8.488 1.00 0.00 H new ATOM 0 HD13 ILE A 64 0.238 2.284 9.034 1.00 0.00 H new ATOM 920 N LEU A 65 -0.556 6.873 5.494 1.00 0.00 N ATOM 921 CA LEU A 65 0.207 7.202 4.295 1.00 0.00 C ATOM 922 C LEU A 65 0.056 8.677 3.940 1.00 0.00 C ATOM 923 O LEU A 65 -0.994 9.277 4.169 1.00 0.00 O ATOM 924 CB LEU A 65 -0.250 6.334 3.121 1.00 0.00 C ATOM 925 CG LEU A 65 0.022 4.834 3.249 1.00 0.00 C ATOM 926 CD1 LEU A 65 -0.446 4.099 2.003 1.00 0.00 C ATOM 927 CD2 LEU A 65 1.502 4.581 3.496 1.00 0.00 C ATOM 0 H LEU A 65 -1.567 6.948 5.384 1.00 0.00 H new ATOM 0 HA LEU A 65 1.259 7.003 4.499 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.322 6.478 2.984 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.238 6.696 2.216 1.00 0.00 H new ATOM 0 HG LEU A 65 -0.539 4.453 4.102 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.244 3.033 2.112 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.517 4.254 1.870 1.00 0.00 H new ATOM 0 HD13 LEU A 65 0.087 4.482 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 65 1.678 3.509 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 65 2.083 4.976 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 65 1.807 5.076 4.418 1.00 0.00 H new ATOM 939 N ALA A 66 1.112 9.256 3.377 1.00 0.00 N ATOM 940 CA ALA A 66 1.095 10.660 2.986 1.00 0.00 C ATOM 941 C ALA A 66 1.805 10.868 1.653 1.00 0.00 C ATOM 942 O ALA A 66 2.703 10.114 1.276 1.00 0.00 O ATOM 943 CB ALA A 66 1.738 11.517 4.068 1.00 0.00 C ATOM 0 H ALA A 66 1.990 8.774 3.182 1.00 0.00 H new ATOM 0 HA ALA A 66 0.056 10.965 2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 66 1.719 12.563 3.763 1.00 0.00 H new ATOM 0 HB2 ALA A 66 1.186 11.401 5.000 1.00 0.00 H new ATOM 0 HB3 ALA A 66 2.771 11.201 4.216 1.00 0.00 H new ATOM 949 N PRO A 67 1.395 11.913 0.920 1.00 0.00 N ATOM 950 CA PRO A 67 1.979 12.243 -0.384 1.00 0.00 C ATOM 951 C PRO A 67 3.407 12.763 -0.264 1.00 0.00 C ATOM 952 O PRO A 67 3.629 13.930 0.058 1.00 0.00 O ATOM 953 CB PRO A 67 1.054 13.340 -0.919 1.00 0.00 C ATOM 954 CG PRO A 67 0.459 13.961 0.297 1.00 0.00 C ATOM 955 CD PRO A 67 0.330 12.854 1.306 1.00 0.00 C ATOM 0 HA PRO A 67 2.048 11.370 -1.033 1.00 0.00 H new ATOM 0 HB2 PRO A 67 1.607 14.072 -1.507 1.00 0.00 H new ATOM 0 HB3 PRO A 67 0.283 12.926 -1.569 1.00 0.00 H new ATOM 0 HG2 PRO A 67 1.093 14.763 0.676 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -0.513 14.402 0.075 1.00 0.00 H new ATOM 0 HD2 PRO A 67 0.467 13.220 2.324 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -0.654 12.386 1.265 1.00 0.00 H new ATOM 963 N PHE A 68 4.373 11.889 -0.526 1.00 0.00 N ATOM 964 CA PHE A 68 5.782 12.259 -0.448 1.00 0.00 C ATOM 965 C PHE A 68 6.169 13.173 -1.606 1.00 0.00 C ATOM 966 O PHE A 68 5.951 12.843 -2.772 1.00 0.00 O ATOM 967 CB PHE A 68 6.661 11.007 -0.455 1.00 0.00 C ATOM 968 CG PHE A 68 8.124 11.302 -0.281 1.00 0.00 C ATOM 969 CD1 PHE A 68 8.579 11.980 0.838 1.00 0.00 C ATOM 970 CD2 PHE A 68 9.044 10.900 -1.236 1.00 0.00 C ATOM 971 CE1 PHE A 68 9.925 12.252 1.002 1.00 0.00 C ATOM 972 CE2 PHE A 68 10.390 11.169 -1.078 1.00 0.00 C ATOM 973 CZ PHE A 68 10.831 11.847 0.042 1.00 0.00 C ATOM 0 H PHE A 68 4.206 10.919 -0.794 1.00 0.00 H new ATOM 0 HA PHE A 68 5.939 12.799 0.486 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.335 10.340 0.343 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.515 10.475 -1.395 1.00 0.00 H new ATOM 0 HD1 PHE A 68 7.874 12.300 1.591 1.00 0.00 H new ATOM 0 HD2 PHE A 68 8.705 10.370 -2.114 1.00 0.00 H new ATOM 0 HE1 PHE A 68 10.267 12.780 1.880 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.097 10.849 -1.829 1.00 0.00 H new ATOM 0 HZ PHE A 68 11.882 12.060 0.166 1.00 0.00 H new