USER MOD reduce.3.24.130724 H: found=0, std=0, add=431, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 432 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 59 SER OG : rot 180:sc= 0.8 USER MOD Set 1.2: A 61 THR OG1 : rot 119:sc= 0.917 USER MOD Set 2.1: A 32 THR OG1 : rot -11:sc= 1.04 USER MOD Set 2.2: A 36 CYS SG : rot -39:sc= 0.969 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HD1:sc=-0.00791 X(o=-0.0079,f=-0.0079) USER MOD Single : A 31 MET CE :methyl -125:sc= -0.261 (180deg=-0.303) USER MOD Single : A 33 CYS SG : rot 0:sc= -0.562 USER MOD Single : A 35 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00647) USER MOD Single : A 47 THR OG1 : rot 80:sc= 1.1 USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=-0.0087) USER MOD Single : A 68 SER OG : rot -36:sc= 0.422 USER MOD Single : A 72 HIS : no HE2:sc= 0.00339 X(o=0.0034,f=-0.25) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 THR OG1 : rot -97:sc= 0.192 USER MOD ----------------------------------------------------------------- ATOM 11 N GLY A 23 3.934 6.707 8.595 1.00 0.00 N ATOM 12 CA GLY A 23 4.505 5.368 8.636 1.00 0.00 C ATOM 13 C GLY A 23 5.482 5.129 7.495 1.00 0.00 C ATOM 14 O GLY A 23 6.616 5.621 7.538 1.00 0.00 O ATOM 0 HA2 GLY A 23 5.016 5.221 9.587 1.00 0.00 H new ATOM 0 HA3 GLY A 23 3.704 4.631 8.587 1.00 0.00 H new ATOM 18 N LEU A 24 5.040 4.410 6.445 1.00 0.00 N ATOM 19 CA LEU A 24 5.923 3.969 5.344 1.00 0.00 C ATOM 20 C LEU A 24 5.234 4.229 3.982 1.00 0.00 C ATOM 21 O LEU A 24 4.071 3.885 3.789 1.00 0.00 O ATOM 22 CB LEU A 24 6.289 2.455 5.535 1.00 0.00 C ATOM 23 CG LEU A 24 7.758 2.040 5.174 1.00 0.00 C ATOM 24 CD1 LEU A 24 8.094 2.290 3.690 1.00 0.00 C ATOM 25 CD2 LEU A 24 8.781 2.738 6.103 1.00 0.00 C ATOM 0 H LEU A 24 4.068 4.120 6.335 1.00 0.00 H new ATOM 0 HA LEU A 24 6.851 4.541 5.359 1.00 0.00 H new ATOM 0 HB2 LEU A 24 6.105 2.188 6.576 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.607 1.860 4.928 1.00 0.00 H new ATOM 0 HG LEU A 24 7.829 0.964 5.336 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.122 1.986 3.493 1.00 0.00 H new ATOM 0 HD12 LEU A 24 7.418 1.711 3.061 1.00 0.00 H new ATOM 0 HD13 LEU A 24 7.980 3.350 3.465 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.790 2.431 5.829 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.689 3.819 5.998 1.00 0.00 H new ATOM 0 HD23 LEU A 24 8.585 2.456 7.137 1.00 0.00 H new ATOM 37 N SER A 25 5.982 4.830 3.047 1.00 0.00 N ATOM 38 CA SER A 25 5.486 5.200 1.711 1.00 0.00 C ATOM 39 C SER A 25 6.020 4.220 0.638 1.00 0.00 C ATOM 40 O SER A 25 7.205 3.875 0.651 1.00 0.00 O ATOM 41 CB SER A 25 5.944 6.643 1.411 1.00 0.00 C ATOM 42 OG SER A 25 5.465 7.103 0.163 1.00 0.00 O ATOM 0 H SER A 25 6.960 5.077 3.197 1.00 0.00 H new ATOM 0 HA SER A 25 4.398 5.144 1.689 1.00 0.00 H new ATOM 0 HB2 SER A 25 5.592 7.306 2.201 1.00 0.00 H new ATOM 0 HB3 SER A 25 7.033 6.687 1.420 1.00 0.00 H new ATOM 0 HG SER A 25 5.775 8.020 0.011 1.00 0.00 H new ATOM 48 N PHE A 26 5.132 3.758 -0.267 1.00 0.00 N ATOM 49 CA PHE A 26 5.495 2.922 -1.440 1.00 0.00 C ATOM 50 C PHE A 26 4.755 3.442 -2.680 1.00 0.00 C ATOM 51 O PHE A 26 3.522 3.439 -2.691 1.00 0.00 O ATOM 52 CB PHE A 26 5.094 1.433 -1.214 1.00 0.00 C ATOM 53 CG PHE A 26 5.873 0.706 -0.119 1.00 0.00 C ATOM 54 CD1 PHE A 26 7.189 0.294 -0.341 1.00 0.00 C ATOM 55 CD2 PHE A 26 5.289 0.408 1.115 1.00 0.00 C ATOM 56 CE1 PHE A 26 7.887 -0.387 0.630 1.00 0.00 C ATOM 57 CE2 PHE A 26 5.995 -0.270 2.084 1.00 0.00 C ATOM 58 CZ PHE A 26 7.292 -0.668 1.839 1.00 0.00 C ATOM 0 H PHE A 26 4.133 3.954 -0.207 1.00 0.00 H new ATOM 0 HA PHE A 26 6.574 2.981 -1.579 1.00 0.00 H new ATOM 0 HB2 PHE A 26 4.033 1.393 -0.970 1.00 0.00 H new ATOM 0 HB3 PHE A 26 5.226 0.892 -2.151 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.664 0.512 -1.286 1.00 0.00 H new ATOM 0 HD2 PHE A 26 4.272 0.713 1.311 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.903 -0.701 0.443 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.533 -0.490 3.035 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.843 -1.202 2.599 1.00 0.00 H new ATOM 68 N HIS A 27 5.482 3.887 -3.730 1.00 0.00 N ATOM 69 CA HIS A 27 4.834 4.304 -4.990 1.00 0.00 C ATOM 70 C HIS A 27 4.758 3.109 -5.965 1.00 0.00 C ATOM 71 O HIS A 27 5.782 2.515 -6.322 1.00 0.00 O ATOM 72 CB HIS A 27 5.515 5.550 -5.645 1.00 0.00 C ATOM 73 CG HIS A 27 6.896 5.358 -6.243 1.00 0.00 C ATOM 74 ND1 HIS A 27 8.054 5.597 -5.546 1.00 0.00 N ATOM 75 CD2 HIS A 27 7.294 4.977 -7.494 1.00 0.00 C ATOM 76 CE1 HIS A 27 9.093 5.393 -6.332 1.00 0.00 C ATOM 77 NE2 HIS A 27 8.660 5.010 -7.510 1.00 0.00 N ATOM 0 H HIS A 27 6.499 3.965 -3.730 1.00 0.00 H new ATOM 0 HA HIS A 27 3.820 4.623 -4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.856 5.919 -6.431 1.00 0.00 H new ATOM 0 HB3 HIS A 27 5.581 6.333 -4.890 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.650 4.702 -8.316 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.128 5.520 -6.053 1.00 0.00 H new ATOM 0 HE2 HIS A 27 9.248 4.775 -8.309 1.00 0.00 H new ATOM 86 N VAL A 28 3.524 2.721 -6.327 1.00 0.00 N ATOM 87 CA VAL A 28 3.259 1.742 -7.391 1.00 0.00 C ATOM 88 C VAL A 28 2.967 2.528 -8.677 1.00 0.00 C ATOM 89 O VAL A 28 1.844 2.999 -8.876 1.00 0.00 O ATOM 90 CB VAL A 28 2.052 0.787 -7.039 1.00 0.00 C ATOM 91 CG1 VAL A 28 1.860 -0.322 -8.111 1.00 0.00 C ATOM 92 CG2 VAL A 28 2.216 0.178 -5.632 1.00 0.00 C ATOM 0 H VAL A 28 2.678 3.081 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 28 4.130 1.098 -7.514 1.00 0.00 H new ATOM 0 HB VAL A 28 1.148 1.396 -7.039 1.00 0.00 H new ATOM 0 HG11 VAL A 28 1.020 -0.957 -7.831 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.660 0.138 -9.079 1.00 0.00 H new ATOM 0 HG13 VAL A 28 2.765 -0.926 -8.176 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.370 -0.475 -5.417 1.00 0.00 H new ATOM 0 HG22 VAL A 28 3.140 -0.399 -5.591 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.254 0.977 -4.892 1.00 0.00 H new ATOM 102 N GLU A 29 3.993 2.689 -9.528 1.00 0.00 N ATOM 103 CA GLU A 29 3.906 3.484 -10.773 1.00 0.00 C ATOM 104 C GLU A 29 2.847 2.917 -11.745 1.00 0.00 C ATOM 105 O GLU A 29 2.265 3.654 -12.550 1.00 0.00 O ATOM 106 CB GLU A 29 5.298 3.542 -11.459 1.00 0.00 C ATOM 107 CG GLU A 29 5.846 2.174 -11.917 1.00 0.00 C ATOM 108 CD GLU A 29 7.176 2.278 -12.684 1.00 0.00 C ATOM 109 OE1 GLU A 29 7.175 2.796 -13.817 1.00 0.00 O ATOM 110 OE2 GLU A 29 8.227 1.855 -12.156 1.00 0.00 O ATOM 0 H GLU A 29 4.911 2.272 -9.375 1.00 0.00 H new ATOM 0 HA GLU A 29 3.592 4.493 -10.506 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.235 4.202 -12.325 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.011 3.991 -10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.986 1.536 -11.045 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.105 1.688 -12.552 1.00 0.00 H new ATOM 117 N ASP A 30 2.605 1.603 -11.632 1.00 0.00 N ATOM 118 CA ASP A 30 1.668 0.860 -12.487 1.00 0.00 C ATOM 119 C ASP A 30 0.199 1.053 -12.023 1.00 0.00 C ATOM 120 O ASP A 30 -0.737 0.851 -12.806 1.00 0.00 O ATOM 121 CB ASP A 30 2.079 -0.635 -12.465 1.00 0.00 C ATOM 122 CG ASP A 30 1.292 -1.515 -13.454 1.00 0.00 C ATOM 123 OD1 ASP A 30 1.538 -1.416 -14.676 1.00 0.00 O ATOM 124 OD2 ASP A 30 0.437 -2.315 -13.016 1.00 0.00 O ATOM 0 H ASP A 30 3.062 1.017 -10.933 1.00 0.00 H new ATOM 0 HA ASP A 30 1.718 1.241 -13.507 1.00 0.00 H new ATOM 0 HB2 ASP A 30 3.142 -0.712 -12.692 1.00 0.00 H new ATOM 0 HB3 ASP A 30 1.939 -1.025 -11.457 1.00 0.00 H new ATOM 129 N MET A 31 0.014 1.478 -10.753 1.00 0.00 N ATOM 130 CA MET A 31 -1.320 1.621 -10.120 1.00 0.00 C ATOM 131 C MET A 31 -2.143 2.776 -10.742 1.00 0.00 C ATOM 132 O MET A 31 -1.657 3.904 -10.875 1.00 0.00 O ATOM 133 CB MET A 31 -1.170 1.860 -8.590 1.00 0.00 C ATOM 134 CG MET A 31 -2.494 1.972 -7.817 1.00 0.00 C ATOM 135 SD MET A 31 -2.281 2.376 -6.068 1.00 0.00 S ATOM 136 CE MET A 31 -1.694 4.064 -6.156 1.00 0.00 C ATOM 0 H MET A 31 0.785 1.732 -10.136 1.00 0.00 H new ATOM 0 HA MET A 31 -1.858 0.690 -10.300 1.00 0.00 H new ATOM 0 HB2 MET A 31 -0.587 1.043 -8.165 1.00 0.00 H new ATOM 0 HB3 MET A 31 -0.598 2.775 -8.435 1.00 0.00 H new ATOM 0 HG2 MET A 31 -3.114 2.737 -8.285 1.00 0.00 H new ATOM 0 HG3 MET A 31 -3.034 1.029 -7.900 1.00 0.00 H new ATOM 0 HE1 MET A 31 -0.750 4.149 -5.618 1.00 0.00 H new ATOM 0 HE2 MET A 31 -1.544 4.343 -7.199 1.00 0.00 H new ATOM 0 HE3 MET A 31 -2.430 4.729 -5.704 1.00 0.00 H new ATOM 146 N THR A 32 -3.388 2.457 -11.111 1.00 0.00 N ATOM 147 CA THR A 32 -4.403 3.434 -11.542 1.00 0.00 C ATOM 148 C THR A 32 -5.136 4.016 -10.307 1.00 0.00 C ATOM 149 O THR A 32 -4.912 3.565 -9.183 1.00 0.00 O ATOM 150 CB THR A 32 -5.429 2.798 -12.541 1.00 0.00 C ATOM 151 OG1 THR A 32 -6.121 1.708 -11.914 1.00 0.00 O ATOM 152 CG2 THR A 32 -4.749 2.301 -13.834 1.00 0.00 C ATOM 0 H THR A 32 -3.728 1.496 -11.120 1.00 0.00 H new ATOM 0 HA THR A 32 -3.892 4.241 -12.068 1.00 0.00 H new ATOM 0 HB THR A 32 -6.138 3.579 -12.814 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.678 1.482 -11.070 1.00 0.00 H new ATOM 0 HG21 THR A 32 -5.499 1.868 -14.496 1.00 0.00 H new ATOM 0 HG22 THR A 32 -4.263 3.138 -14.335 1.00 0.00 H new ATOM 0 HG23 THR A 32 -4.004 1.545 -13.586 1.00 0.00 H new ATOM 160 N CYS A 33 -5.940 5.069 -10.528 1.00 0.00 N ATOM 161 CA CYS A 33 -6.755 5.757 -9.488 1.00 0.00 C ATOM 162 C CYS A 33 -7.733 4.782 -8.718 1.00 0.00 C ATOM 163 O CYS A 33 -7.469 3.573 -8.596 1.00 0.00 O ATOM 164 CB CYS A 33 -7.507 6.915 -10.205 1.00 0.00 C ATOM 165 SG CYS A 33 -8.382 8.076 -9.125 1.00 0.00 S ATOM 0 H CYS A 33 -6.051 5.483 -11.454 1.00 0.00 H new ATOM 0 HA CYS A 33 -6.107 6.147 -8.703 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -6.787 7.475 -10.802 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -8.227 6.481 -10.899 1.00 0.00 H new ATOM 0 HG CYS A 33 -8.222 7.720 -7.885 1.00 0.00 H new ATOM 171 N GLY A 34 -8.879 5.303 -8.213 1.00 0.00 N ATOM 172 CA GLY A 34 -9.783 4.550 -7.327 1.00 0.00 C ATOM 173 C GLY A 34 -10.418 3.283 -7.925 1.00 0.00 C ATOM 174 O GLY A 34 -11.147 2.574 -7.221 1.00 0.00 O ATOM 0 H GLY A 34 -9.195 6.252 -8.411 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.229 4.266 -6.433 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.584 5.217 -7.007 1.00 0.00 H new ATOM 178 N HIS A 35 -10.146 2.995 -9.211 1.00 0.00 N ATOM 179 CA HIS A 35 -10.672 1.800 -9.899 1.00 0.00 C ATOM 180 C HIS A 35 -9.903 0.511 -9.506 1.00 0.00 C ATOM 181 O HIS A 35 -10.435 -0.598 -9.647 1.00 0.00 O ATOM 182 CB HIS A 35 -10.623 2.011 -11.436 1.00 0.00 C ATOM 183 CG HIS A 35 -11.426 0.997 -12.226 1.00 0.00 C ATOM 184 ND1 HIS A 35 -10.888 -0.164 -12.741 1.00 0.00 N ATOM 185 CD2 HIS A 35 -12.734 0.986 -12.591 1.00 0.00 C ATOM 186 CE1 HIS A 35 -11.826 -0.840 -13.376 1.00 0.00 C ATOM 187 NE2 HIS A 35 -12.952 -0.167 -13.300 1.00 0.00 N ATOM 0 H HIS A 35 -9.557 3.582 -9.802 1.00 0.00 H new ATOM 0 HA HIS A 35 -11.706 1.666 -9.582 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -10.992 3.010 -11.667 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -9.584 1.971 -11.764 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -13.467 1.746 -12.364 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -11.691 -1.788 -13.875 1.00 0.00 H new ATOM 0 HE2 HIS A 35 -13.843 -0.456 -13.703 1.00 0.00 H new ATOM 196 N CYS A 36 -8.648 0.653 -9.027 1.00 0.00 N ATOM 197 CA CYS A 36 -7.830 -0.506 -8.574 1.00 0.00 C ATOM 198 C CYS A 36 -7.341 -0.323 -7.124 1.00 0.00 C ATOM 199 O CYS A 36 -6.744 -1.237 -6.546 1.00 0.00 O ATOM 200 CB CYS A 36 -6.618 -0.722 -9.509 1.00 0.00 C ATOM 201 SG CYS A 36 -5.334 0.546 -9.382 1.00 0.00 S ATOM 0 H CYS A 36 -8.176 1.553 -8.942 1.00 0.00 H new ATOM 0 HA CYS A 36 -8.472 -1.386 -8.611 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -6.174 -1.693 -9.289 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -6.973 -0.760 -10.539 1.00 0.00 H new ATOM 0 HG CYS A 36 -5.889 1.714 -9.249 1.00 0.00 H new ATOM 207 N ALA A 37 -7.611 0.863 -6.542 1.00 0.00 N ATOM 208 CA ALA A 37 -7.124 1.240 -5.198 1.00 0.00 C ATOM 209 C ALA A 37 -7.715 0.349 -4.084 1.00 0.00 C ATOM 210 O ALA A 37 -7.051 0.093 -3.078 1.00 0.00 O ATOM 211 CB ALA A 37 -7.431 2.721 -4.931 1.00 0.00 C ATOM 0 H ALA A 37 -8.173 1.587 -6.990 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.045 1.084 -5.182 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.070 2.994 -3.939 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -6.934 3.337 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.507 2.885 -4.983 1.00 0.00 H new ATOM 217 N GLY A 38 -8.956 -0.132 -4.299 1.00 0.00 N ATOM 218 CA GLY A 38 -9.709 -0.886 -3.291 1.00 0.00 C ATOM 219 C GLY A 38 -9.022 -2.168 -2.810 1.00 0.00 C ATOM 220 O GLY A 38 -8.881 -2.381 -1.603 1.00 0.00 O ATOM 0 H GLY A 38 -9.459 -0.006 -5.177 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.887 -0.240 -2.431 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.684 -1.145 -3.703 1.00 0.00 H new ATOM 224 N VAL A 39 -8.584 -3.012 -3.762 1.00 0.00 N ATOM 225 CA VAL A 39 -7.925 -4.310 -3.456 1.00 0.00 C ATOM 226 C VAL A 39 -6.557 -4.119 -2.765 1.00 0.00 C ATOM 227 O VAL A 39 -6.152 -4.946 -1.945 1.00 0.00 O ATOM 228 CB VAL A 39 -7.744 -5.197 -4.747 1.00 0.00 C ATOM 229 CG1 VAL A 39 -9.109 -5.652 -5.307 1.00 0.00 C ATOM 230 CG2 VAL A 39 -6.915 -4.463 -5.831 1.00 0.00 C ATOM 0 H VAL A 39 -8.673 -2.822 -4.760 1.00 0.00 H new ATOM 0 HA VAL A 39 -8.591 -4.828 -2.766 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.187 -6.087 -4.455 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -8.952 -6.262 -6.197 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -9.634 -6.238 -4.553 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -9.705 -4.777 -5.567 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -6.811 -5.105 -6.706 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -7.423 -3.541 -6.115 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.927 -4.226 -5.435 1.00 0.00 H new ATOM 240 N ILE A 40 -5.866 -3.020 -3.111 1.00 0.00 N ATOM 241 CA ILE A 40 -4.527 -2.695 -2.592 1.00 0.00 C ATOM 242 C ILE A 40 -4.620 -2.260 -1.124 1.00 0.00 C ATOM 243 O ILE A 40 -3.968 -2.837 -0.238 1.00 0.00 O ATOM 244 CB ILE A 40 -3.884 -1.545 -3.447 1.00 0.00 C ATOM 245 CG1 ILE A 40 -3.787 -1.976 -4.941 1.00 0.00 C ATOM 246 CG2 ILE A 40 -2.507 -1.120 -2.887 1.00 0.00 C ATOM 247 CD1 ILE A 40 -3.297 -0.895 -5.878 1.00 0.00 C ATOM 0 H ILE A 40 -6.225 -2.325 -3.766 1.00 0.00 H new ATOM 0 HA ILE A 40 -3.900 -3.584 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 40 -4.532 -0.670 -3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.118 -2.833 -5.015 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.770 -2.309 -5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -2.093 -0.323 -3.505 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -2.625 -0.763 -1.864 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -1.831 -1.975 -2.897 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -3.261 -1.284 -6.896 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -3.977 -0.044 -5.839 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -2.299 -0.577 -5.576 1.00 0.00 H new ATOM 259 N LYS A 41 -5.467 -1.245 -0.901 1.00 0.00 N ATOM 260 CA LYS A 41 -5.728 -0.671 0.418 1.00 0.00 C ATOM 261 C LYS A 41 -6.323 -1.726 1.364 1.00 0.00 C ATOM 262 O LYS A 41 -5.910 -1.832 2.521 1.00 0.00 O ATOM 263 CB LYS A 41 -6.686 0.541 0.276 1.00 0.00 C ATOM 264 CG LYS A 41 -6.079 1.761 -0.463 1.00 0.00 C ATOM 265 CD LYS A 41 -7.056 2.963 -0.544 1.00 0.00 C ATOM 266 CE LYS A 41 -7.465 3.481 0.847 1.00 0.00 C ATOM 267 NZ LYS A 41 -8.413 4.623 0.781 1.00 0.00 N ATOM 0 H LYS A 41 -5.997 -0.795 -1.648 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.786 -0.331 0.849 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -7.581 0.219 -0.256 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -7.002 0.856 1.271 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.168 2.073 0.048 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -5.792 1.463 -1.472 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.588 3.771 -1.107 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -7.948 2.666 -1.095 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.921 2.668 1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.572 3.787 1.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.654 4.930 1.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.971 5.411 0.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -9.278 4.328 0.286 1.00 0.00 H new ATOM 281 N GLY A 42 -7.261 -2.519 0.823 1.00 0.00 N ATOM 282 CA GLY A 42 -7.951 -3.562 1.578 1.00 0.00 C ATOM 283 C GLY A 42 -7.038 -4.719 1.974 1.00 0.00 C ATOM 284 O GLY A 42 -7.215 -5.300 3.042 1.00 0.00 O ATOM 0 H GLY A 42 -7.558 -2.451 -0.150 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.384 -3.125 2.478 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -8.778 -3.947 0.981 1.00 0.00 H new ATOM 288 N ALA A 43 -6.054 -5.047 1.105 1.00 0.00 N ATOM 289 CA ALA A 43 -5.102 -6.150 1.353 1.00 0.00 C ATOM 290 C ALA A 43 -4.224 -5.838 2.568 1.00 0.00 C ATOM 291 O ALA A 43 -4.166 -6.618 3.523 1.00 0.00 O ATOM 292 CB ALA A 43 -4.227 -6.411 0.112 1.00 0.00 C ATOM 0 H ALA A 43 -5.900 -4.560 0.222 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.677 -7.052 1.561 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.535 -7.227 0.320 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.863 -6.680 -0.731 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.663 -5.510 -0.132 1.00 0.00 H new ATOM 298 N ILE A 44 -3.578 -4.658 2.524 1.00 0.00 N ATOM 299 CA ILE A 44 -2.670 -4.191 3.587 1.00 0.00 C ATOM 300 C ILE A 44 -3.416 -3.974 4.921 1.00 0.00 C ATOM 301 O ILE A 44 -2.907 -4.332 5.986 1.00 0.00 O ATOM 302 CB ILE A 44 -1.929 -2.872 3.163 1.00 0.00 C ATOM 303 CG1 ILE A 44 -1.179 -3.064 1.803 1.00 0.00 C ATOM 304 CG2 ILE A 44 -0.961 -2.405 4.275 1.00 0.00 C ATOM 305 CD1 ILE A 44 -0.541 -1.799 1.243 1.00 0.00 C ATOM 0 H ILE A 44 -3.671 -4.001 1.749 1.00 0.00 H new ATOM 0 HA ILE A 44 -1.928 -4.975 3.737 1.00 0.00 H new ATOM 0 HB ILE A 44 -2.677 -2.092 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.403 -3.818 1.935 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.882 -3.456 1.068 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -0.459 -1.490 3.960 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -1.522 -2.214 5.190 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -0.218 -3.181 4.460 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.045 -2.029 0.300 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.312 -1.047 1.074 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.191 -1.415 1.954 1.00 0.00 H new ATOM 317 N GLU A 45 -4.627 -3.403 4.830 1.00 0.00 N ATOM 318 CA GLU A 45 -5.479 -3.114 6.004 1.00 0.00 C ATOM 319 C GLU A 45 -5.921 -4.413 6.719 1.00 0.00 C ATOM 320 O GLU A 45 -5.898 -4.493 7.944 1.00 0.00 O ATOM 321 CB GLU A 45 -6.724 -2.285 5.568 1.00 0.00 C ATOM 322 CG GLU A 45 -7.738 -1.944 6.689 1.00 0.00 C ATOM 323 CD GLU A 45 -7.161 -1.061 7.815 1.00 0.00 C ATOM 324 OE1 GLU A 45 -7.097 0.171 7.637 1.00 0.00 O ATOM 325 OE2 GLU A 45 -6.793 -1.593 8.892 1.00 0.00 O ATOM 0 H GLU A 45 -5.047 -3.127 3.942 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.890 -2.532 6.712 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.377 -1.352 5.123 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.248 -2.836 4.787 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -8.595 -1.436 6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.108 -2.872 7.124 1.00 0.00 H new ATOM 332 N LYS A 46 -6.327 -5.423 5.938 1.00 0.00 N ATOM 333 CA LYS A 46 -6.878 -6.688 6.488 1.00 0.00 C ATOM 334 C LYS A 46 -5.767 -7.661 6.929 1.00 0.00 C ATOM 335 O LYS A 46 -6.039 -8.585 7.697 1.00 0.00 O ATOM 336 CB LYS A 46 -7.857 -7.360 5.468 1.00 0.00 C ATOM 337 CG LYS A 46 -9.326 -6.862 5.545 1.00 0.00 C ATOM 338 CD LYS A 46 -9.474 -5.332 5.374 1.00 0.00 C ATOM 339 CE LYS A 46 -10.919 -4.851 5.573 1.00 0.00 C ATOM 340 NZ LYS A 46 -11.849 -5.420 4.560 1.00 0.00 N ATOM 0 H LYS A 46 -6.288 -5.397 4.919 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.445 -6.434 7.383 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.482 -7.186 4.459 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.845 -8.438 5.631 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.911 -7.363 4.774 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.749 -7.154 6.506 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.825 -4.826 6.089 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.134 -5.047 4.378 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -11.258 -5.129 6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -10.948 -3.763 5.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.805 -5.040 4.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.524 -5.162 3.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.869 -6.456 4.650 1.00 0.00 H new ATOM 354 N THR A 47 -4.528 -7.462 6.442 1.00 0.00 N ATOM 355 CA THR A 47 -3.364 -8.267 6.874 1.00 0.00 C ATOM 356 C THR A 47 -2.730 -7.638 8.128 1.00 0.00 C ATOM 357 O THR A 47 -2.338 -8.347 9.063 1.00 0.00 O ATOM 358 CB THR A 47 -2.309 -8.396 5.731 1.00 0.00 C ATOM 359 OG1 THR A 47 -2.941 -8.902 4.548 1.00 0.00 O ATOM 360 CG2 THR A 47 -1.148 -9.337 6.104 1.00 0.00 C ATOM 0 H THR A 47 -4.304 -6.749 5.747 1.00 0.00 H new ATOM 0 HA THR A 47 -3.712 -9.271 7.116 1.00 0.00 H new ATOM 0 HB THR A 47 -1.899 -7.400 5.562 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.415 -8.175 4.094 1.00 0.00 H new ATOM 0 HG21 THR A 47 -0.443 -9.391 5.275 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.639 -8.954 6.989 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.539 -10.333 6.313 1.00 0.00 H new ATOM 368 N VAL A 48 -2.640 -6.294 8.135 1.00 0.00 N ATOM 369 CA VAL A 48 -2.179 -5.504 9.299 1.00 0.00 C ATOM 370 C VAL A 48 -3.294 -4.510 9.701 1.00 0.00 C ATOM 371 O VAL A 48 -3.358 -3.395 9.155 1.00 0.00 O ATOM 372 CB VAL A 48 -0.828 -4.730 9.003 1.00 0.00 C ATOM 373 CG1 VAL A 48 -0.353 -3.906 10.233 1.00 0.00 C ATOM 374 CG2 VAL A 48 0.282 -5.696 8.541 1.00 0.00 C ATOM 0 H VAL A 48 -2.886 -5.720 7.329 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.972 -6.191 10.119 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.034 -4.031 8.192 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.576 -3.391 9.989 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.116 -3.174 10.497 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -0.186 -4.575 11.077 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.195 -5.134 8.346 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.470 -6.434 9.321 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -0.033 -6.203 7.629 1.00 0.00 H new ATOM 384 N PRO A 49 -4.244 -4.931 10.601 1.00 0.00 N ATOM 385 CA PRO A 49 -5.293 -4.029 11.138 1.00 0.00 C ATOM 386 C PRO A 49 -4.681 -2.844 11.910 1.00 0.00 C ATOM 387 O PRO A 49 -4.049 -3.035 12.963 1.00 0.00 O ATOM 388 CB PRO A 49 -6.142 -4.952 12.055 1.00 0.00 C ATOM 389 CG PRO A 49 -5.856 -6.340 11.553 1.00 0.00 C ATOM 390 CD PRO A 49 -4.405 -6.312 11.134 1.00 0.00 C ATOM 0 HA PRO A 49 -5.892 -3.564 10.355 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -5.859 -4.842 13.102 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -7.204 -4.715 11.985 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -6.028 -7.084 12.330 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -6.504 -6.598 10.715 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.737 -6.502 11.974 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -4.188 -7.066 10.377 1.00 0.00 H new ATOM 398 N GLY A 50 -4.852 -1.633 11.359 1.00 0.00 N ATOM 399 CA GLY A 50 -4.265 -0.416 11.920 1.00 0.00 C ATOM 400 C GLY A 50 -3.332 0.290 10.949 1.00 0.00 C ATOM 401 O GLY A 50 -2.834 1.380 11.260 1.00 0.00 O ATOM 0 H GLY A 50 -5.401 -1.474 10.514 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.064 0.267 12.211 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -3.715 -0.668 12.827 1.00 0.00 H new ATOM 405 N ALA A 51 -3.079 -0.325 9.781 1.00 0.00 N ATOM 406 CA ALA A 51 -2.306 0.310 8.707 1.00 0.00 C ATOM 407 C ALA A 51 -3.206 1.312 7.966 1.00 0.00 C ATOM 408 O ALA A 51 -4.121 0.907 7.235 1.00 0.00 O ATOM 409 CB ALA A 51 -1.748 -0.758 7.747 1.00 0.00 C ATOM 0 H ALA A 51 -3.402 -1.267 9.559 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.457 0.847 9.130 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.177 -0.273 6.955 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -1.099 -1.439 8.298 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.573 -1.319 7.308 1.00 0.00 H new ATOM 415 N ALA A 52 -2.968 2.623 8.190 1.00 0.00 N ATOM 416 CA ALA A 52 -3.744 3.683 7.535 1.00 0.00 C ATOM 417 C ALA A 52 -3.285 3.821 6.086 1.00 0.00 C ATOM 418 O ALA A 52 -2.304 4.497 5.791 1.00 0.00 O ATOM 419 CB ALA A 52 -3.621 5.012 8.302 1.00 0.00 C ATOM 0 H ALA A 52 -2.243 2.966 8.821 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.800 3.414 7.541 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.205 5.780 7.795 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.995 4.882 9.317 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.575 5.316 8.337 1.00 0.00 H new ATOM 425 N VAL A 53 -4.028 3.172 5.203 1.00 0.00 N ATOM 426 CA VAL A 53 -3.685 3.034 3.781 1.00 0.00 C ATOM 427 C VAL A 53 -4.249 4.212 2.968 1.00 0.00 C ATOM 428 O VAL A 53 -5.394 4.619 3.181 1.00 0.00 O ATOM 429 CB VAL A 53 -4.227 1.657 3.236 1.00 0.00 C ATOM 430 CG1 VAL A 53 -3.379 0.478 3.766 1.00 0.00 C ATOM 431 CG2 VAL A 53 -5.719 1.447 3.613 1.00 0.00 C ATOM 0 H VAL A 53 -4.905 2.715 5.452 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.600 3.050 3.673 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.147 1.686 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.775 -0.459 3.375 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.345 0.599 3.442 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.419 0.462 4.855 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -6.062 0.489 3.222 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -5.825 1.455 4.698 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.319 2.249 3.184 1.00 0.00 H new ATOM 441 N HIS A 54 -3.424 4.789 2.066 1.00 0.00 N ATOM 442 CA HIS A 54 -3.853 5.875 1.171 1.00 0.00 C ATOM 443 C HIS A 54 -3.207 5.690 -0.201 1.00 0.00 C ATOM 444 O HIS A 54 -2.030 6.001 -0.369 1.00 0.00 O ATOM 445 CB HIS A 54 -3.466 7.261 1.759 1.00 0.00 C ATOM 446 CG HIS A 54 -3.865 8.431 0.891 1.00 0.00 C ATOM 447 ND1 HIS A 54 -3.007 9.028 -0.012 1.00 0.00 N ATOM 448 CD2 HIS A 54 -5.039 9.096 0.779 1.00 0.00 C ATOM 449 CE1 HIS A 54 -3.642 10.000 -0.639 1.00 0.00 C ATOM 450 NE2 HIS A 54 -4.874 10.060 -0.178 1.00 0.00 N ATOM 0 H HIS A 54 -2.450 4.514 1.942 1.00 0.00 H new ATOM 0 HA HIS A 54 -4.938 5.839 1.071 1.00 0.00 H new ATOM 0 HB2 HIS A 54 -3.933 7.372 2.738 1.00 0.00 H new ATOM 0 HB3 HIS A 54 -2.388 7.289 1.916 1.00 0.00 H new ATOM 0 HD2 HIS A 54 -5.940 8.901 1.342 1.00 0.00 H new ATOM 0 HE1 HIS A 54 -3.222 10.639 -1.402 1.00 0.00 H new ATOM 0 HE2 HIS A 54 -5.590 10.719 -0.485 1.00 0.00 H new ATOM 459 N ALA A 55 -3.975 5.167 -1.169 1.00 0.00 N ATOM 460 CA ALA A 55 -3.525 5.057 -2.564 1.00 0.00 C ATOM 461 C ALA A 55 -3.807 6.387 -3.289 1.00 0.00 C ATOM 462 O ALA A 55 -4.970 6.773 -3.456 1.00 0.00 O ATOM 463 CB ALA A 55 -4.231 3.881 -3.253 1.00 0.00 C ATOM 0 H ALA A 55 -4.917 4.811 -1.009 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.453 4.863 -2.597 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -3.891 3.807 -4.286 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.995 2.956 -2.727 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.309 4.043 -3.236 1.00 0.00 H new ATOM 469 N ASP A 56 -2.738 7.084 -3.705 1.00 0.00 N ATOM 470 CA ASP A 56 -2.839 8.419 -4.317 1.00 0.00 C ATOM 471 C ASP A 56 -2.900 8.261 -5.850 1.00 0.00 C ATOM 472 O ASP A 56 -2.070 7.543 -6.409 1.00 0.00 O ATOM 473 CB ASP A 56 -1.624 9.301 -3.902 1.00 0.00 C ATOM 474 CG ASP A 56 -1.835 10.803 -4.198 1.00 0.00 C ATOM 475 OD1 ASP A 56 -1.808 11.202 -5.382 1.00 0.00 O ATOM 476 OD2 ASP A 56 -2.048 11.585 -3.248 1.00 0.00 O ATOM 0 H ASP A 56 -1.781 6.739 -3.627 1.00 0.00 H new ATOM 0 HA ASP A 56 -3.745 8.915 -3.968 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -1.435 9.170 -2.837 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -0.735 8.955 -4.429 1.00 0.00 H new ATOM 481 N PRO A 57 -3.883 8.913 -6.551 1.00 0.00 N ATOM 482 CA PRO A 57 -4.011 8.818 -8.028 1.00 0.00 C ATOM 483 C PRO A 57 -2.813 9.434 -8.779 1.00 0.00 C ATOM 484 O PRO A 57 -2.179 8.775 -9.609 1.00 0.00 O ATOM 485 CB PRO A 57 -5.323 9.599 -8.334 1.00 0.00 C ATOM 486 CG PRO A 57 -6.045 9.663 -7.019 1.00 0.00 C ATOM 487 CD PRO A 57 -4.962 9.759 -5.975 1.00 0.00 C ATOM 0 HA PRO A 57 -4.033 7.781 -8.362 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -5.109 10.597 -8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.921 9.089 -9.089 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.710 10.526 -6.977 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -6.662 8.778 -6.866 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -4.634 10.787 -5.824 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -5.297 9.386 -5.007 1.00 0.00 H new ATOM 495 N ALA A 58 -2.509 10.699 -8.454 1.00 0.00 N ATOM 496 CA ALA A 58 -1.539 11.520 -9.208 1.00 0.00 C ATOM 497 C ALA A 58 -0.083 11.157 -8.872 1.00 0.00 C ATOM 498 O ALA A 58 0.789 11.183 -9.741 1.00 0.00 O ATOM 499 CB ALA A 58 -1.808 13.007 -8.945 1.00 0.00 C ATOM 0 H ALA A 58 -2.927 11.186 -7.661 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.675 11.310 -10.269 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -1.091 13.610 -9.502 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.819 13.256 -9.266 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -1.705 13.213 -7.880 1.00 0.00 H new ATOM 505 N SER A 59 0.165 10.819 -7.604 1.00 0.00 N ATOM 506 CA SER A 59 1.504 10.447 -7.109 1.00 0.00 C ATOM 507 C SER A 59 1.755 8.933 -7.298 1.00 0.00 C ATOM 508 O SER A 59 2.911 8.485 -7.268 1.00 0.00 O ATOM 509 CB SER A 59 1.639 10.847 -5.617 1.00 0.00 C ATOM 510 OG SER A 59 2.953 10.629 -5.127 1.00 0.00 O ATOM 0 H SER A 59 -0.557 10.794 -6.884 1.00 0.00 H new ATOM 0 HA SER A 59 2.257 10.984 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 59 1.377 11.898 -5.498 1.00 0.00 H new ATOM 0 HB3 SER A 59 0.930 10.272 -5.022 1.00 0.00 H new ATOM 0 HG SER A 59 2.999 10.894 -4.185 1.00 0.00 H new ATOM 516 N ARG A 60 0.654 8.162 -7.494 1.00 0.00 N ATOM 517 CA ARG A 60 0.676 6.682 -7.623 1.00 0.00 C ATOM 518 C ARG A 60 1.236 6.015 -6.343 1.00 0.00 C ATOM 519 O ARG A 60 1.798 4.920 -6.404 1.00 0.00 O ATOM 520 CB ARG A 60 1.463 6.198 -8.897 1.00 0.00 C ATOM 521 CG ARG A 60 0.758 6.371 -10.264 1.00 0.00 C ATOM 522 CD ARG A 60 0.701 7.824 -10.755 1.00 0.00 C ATOM 523 NE ARG A 60 0.182 7.917 -12.131 1.00 0.00 N ATOM 524 CZ ARG A 60 0.119 9.047 -12.862 1.00 0.00 C ATOM 525 NH1 ARG A 60 0.485 10.215 -12.347 1.00 0.00 N ATOM 526 NH2 ARG A 60 -0.323 8.998 -14.107 1.00 0.00 N ATOM 0 H ARG A 60 -0.284 8.555 -7.568 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.360 6.367 -7.750 1.00 0.00 H new ATOM 0 HB2 ARG A 60 2.411 6.735 -8.934 1.00 0.00 H new ATOM 0 HB3 ARG A 60 1.699 5.142 -8.769 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.276 5.766 -11.008 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -0.258 5.983 -10.190 1.00 0.00 H new ATOM 0 HD2 ARG A 60 0.068 8.409 -10.088 1.00 0.00 H new ATOM 0 HD3 ARG A 60 1.698 8.261 -10.712 1.00 0.00 H new ATOM 0 HE ARG A 60 -0.156 7.058 -12.564 1.00 0.00 H new ATOM 0 HH11 ARG A 60 0.820 10.266 -11.385 1.00 0.00 H new ATOM 0 HH12 ARG A 60 0.431 11.061 -12.914 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.614 8.107 -14.510 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.373 9.851 -14.664 1.00 0.00 H new ATOM 540 N THR A 61 1.011 6.642 -5.171 1.00 0.00 N ATOM 541 CA THR A 61 1.690 6.255 -3.919 1.00 0.00 C ATOM 542 C THR A 61 0.701 5.740 -2.854 1.00 0.00 C ATOM 543 O THR A 61 -0.221 6.453 -2.454 1.00 0.00 O ATOM 544 CB THR A 61 2.512 7.458 -3.351 1.00 0.00 C ATOM 545 OG1 THR A 61 3.423 7.925 -4.360 1.00 0.00 O ATOM 546 CG2 THR A 61 3.318 7.082 -2.093 1.00 0.00 C ATOM 0 H THR A 61 0.362 7.422 -5.066 1.00 0.00 H new ATOM 0 HA THR A 61 2.367 5.435 -4.161 1.00 0.00 H new ATOM 0 HB THR A 61 1.800 8.234 -3.071 1.00 0.00 H new ATOM 0 HG1 THR A 61 3.214 8.856 -4.584 1.00 0.00 H new ATOM 0 HG21 THR A 61 3.870 7.953 -1.741 1.00 0.00 H new ATOM 0 HG22 THR A 61 2.637 6.744 -1.312 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.018 6.283 -2.335 1.00 0.00 H new ATOM 554 N VAL A 62 0.929 4.502 -2.393 1.00 0.00 N ATOM 555 CA VAL A 62 0.192 3.897 -1.275 1.00 0.00 C ATOM 556 C VAL A 62 1.024 4.083 0.005 1.00 0.00 C ATOM 557 O VAL A 62 2.071 3.444 0.173 1.00 0.00 O ATOM 558 CB VAL A 62 -0.089 2.362 -1.514 1.00 0.00 C ATOM 559 CG1 VAL A 62 -0.996 1.771 -0.401 1.00 0.00 C ATOM 560 CG2 VAL A 62 -0.692 2.122 -2.917 1.00 0.00 C ATOM 0 H VAL A 62 1.638 3.886 -2.790 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.776 4.389 -1.185 1.00 0.00 H new ATOM 0 HB VAL A 62 0.866 1.839 -1.467 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -1.169 0.713 -0.597 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -0.507 1.886 0.566 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -1.950 2.299 -0.390 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.876 1.057 -3.057 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.631 2.668 -3.008 1.00 0.00 H new ATOM 0 HG23 VAL A 62 0.006 2.472 -3.678 1.00 0.00 H new ATOM 570 N VAL A 63 0.578 5.002 0.876 1.00 0.00 N ATOM 571 CA VAL A 63 1.238 5.285 2.159 1.00 0.00 C ATOM 572 C VAL A 63 0.441 4.606 3.269 1.00 0.00 C ATOM 573 O VAL A 63 -0.787 4.721 3.307 1.00 0.00 O ATOM 574 CB VAL A 63 1.334 6.830 2.466 1.00 0.00 C ATOM 575 CG1 VAL A 63 2.229 7.108 3.701 1.00 0.00 C ATOM 576 CG2 VAL A 63 1.819 7.623 1.236 1.00 0.00 C ATOM 0 H VAL A 63 -0.252 5.571 0.709 1.00 0.00 H new ATOM 0 HA VAL A 63 2.257 4.903 2.104 1.00 0.00 H new ATOM 0 HB VAL A 63 0.328 7.176 2.703 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.273 8.182 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.810 6.608 4.574 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.234 6.730 3.514 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.873 8.683 1.485 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.807 7.269 0.941 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.121 7.479 0.412 1.00 0.00 H new ATOM 586 N VAL A 64 1.137 3.888 4.148 1.00 0.00 N ATOM 587 CA VAL A 64 0.542 3.264 5.330 1.00 0.00 C ATOM 588 C VAL A 64 0.936 4.061 6.586 1.00 0.00 C ATOM 589 O VAL A 64 2.068 4.547 6.694 1.00 0.00 O ATOM 590 CB VAL A 64 0.950 1.754 5.433 1.00 0.00 C ATOM 591 CG1 VAL A 64 0.409 0.977 4.209 1.00 0.00 C ATOM 592 CG2 VAL A 64 2.482 1.572 5.568 1.00 0.00 C ATOM 0 H VAL A 64 2.139 3.721 4.060 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.544 3.286 5.243 1.00 0.00 H new ATOM 0 HB VAL A 64 0.503 1.349 6.341 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.696 -0.071 4.288 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -0.678 1.054 4.180 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.827 1.400 3.296 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.718 0.510 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 64 2.977 1.998 4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.831 2.080 6.467 1.00 0.00 H new ATOM 602 N GLY A 65 -0.029 4.232 7.502 1.00 0.00 N ATOM 603 CA GLY A 65 0.156 5.038 8.711 1.00 0.00 C ATOM 604 C GLY A 65 0.000 4.214 9.974 1.00 0.00 C ATOM 605 O GLY A 65 -0.711 3.207 9.978 1.00 0.00 O ATOM 0 H GLY A 65 -0.957 3.815 7.423 1.00 0.00 H new ATOM 0 HA2 GLY A 65 1.146 5.493 8.695 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -0.569 5.852 8.718 1.00 0.00 H new ATOM 609 N GLY A 66 0.695 4.625 11.046 1.00 0.00 N ATOM 610 CA GLY A 66 0.696 3.896 12.316 1.00 0.00 C ATOM 611 C GLY A 66 1.626 2.682 12.310 1.00 0.00 C ATOM 612 O GLY A 66 1.901 2.105 13.369 1.00 0.00 O ATOM 0 H GLY A 66 1.268 5.469 11.053 1.00 0.00 H new ATOM 0 HA2 GLY A 66 0.996 4.572 13.116 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -0.319 3.568 12.540 1.00 0.00 H new ATOM 616 N VAL A 67 2.110 2.297 11.109 1.00 0.00 N ATOM 617 CA VAL A 67 2.997 1.143 10.902 1.00 0.00 C ATOM 618 C VAL A 67 4.177 1.577 10.001 1.00 0.00 C ATOM 619 O VAL A 67 3.980 2.218 8.959 1.00 0.00 O ATOM 620 CB VAL A 67 2.229 -0.100 10.274 1.00 0.00 C ATOM 621 CG1 VAL A 67 1.078 -0.580 11.189 1.00 0.00 C ATOM 622 CG2 VAL A 67 1.688 0.202 8.860 1.00 0.00 C ATOM 0 H VAL A 67 1.888 2.791 10.245 1.00 0.00 H new ATOM 0 HA VAL A 67 3.372 0.814 11.871 1.00 0.00 H new ATOM 0 HB VAL A 67 2.964 -0.901 10.189 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.576 -1.430 10.727 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.482 -0.879 12.156 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.363 0.230 11.330 1.00 0.00 H new ATOM 0 HG21 VAL A 67 1.172 -0.676 8.473 1.00 0.00 H new ATOM 0 HG22 VAL A 67 0.993 1.040 8.908 1.00 0.00 H new ATOM 0 HG23 VAL A 67 2.517 0.456 8.200 1.00 0.00 H new ATOM 632 N SER A 68 5.399 1.247 10.428 1.00 0.00 N ATOM 633 CA SER A 68 6.641 1.617 9.720 1.00 0.00 C ATOM 634 C SER A 68 7.325 0.353 9.150 1.00 0.00 C ATOM 635 O SER A 68 8.461 0.411 8.672 1.00 0.00 O ATOM 636 CB SER A 68 7.571 2.366 10.710 1.00 0.00 C ATOM 637 OG SER A 68 8.738 2.870 10.077 1.00 0.00 O ATOM 0 H SER A 68 5.562 0.711 11.281 1.00 0.00 H new ATOM 0 HA SER A 68 6.416 2.274 8.880 1.00 0.00 H new ATOM 0 HB2 SER A 68 7.023 3.190 11.167 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.860 1.691 11.515 1.00 0.00 H new ATOM 0 HG SER A 68 9.036 2.239 9.389 1.00 0.00 H new ATOM 643 N ASP A 69 6.602 -0.783 9.186 1.00 0.00 N ATOM 644 CA ASP A 69 7.112 -2.103 8.767 1.00 0.00 C ATOM 645 C ASP A 69 7.293 -2.163 7.237 1.00 0.00 C ATOM 646 O ASP A 69 6.381 -2.578 6.524 1.00 0.00 O ATOM 647 CB ASP A 69 6.126 -3.211 9.230 1.00 0.00 C ATOM 648 CG ASP A 69 5.936 -3.280 10.750 1.00 0.00 C ATOM 649 OD1 ASP A 69 5.299 -2.365 11.317 1.00 0.00 O ATOM 650 OD2 ASP A 69 6.423 -4.241 11.386 1.00 0.00 O ATOM 0 H ASP A 69 5.635 -0.810 9.511 1.00 0.00 H new ATOM 0 HA ASP A 69 8.086 -2.264 9.230 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.157 -3.041 8.760 1.00 0.00 H new ATOM 0 HB3 ASP A 69 6.487 -4.176 8.875 1.00 0.00 H new ATOM 655 N ALA A 70 8.470 -1.738 6.746 1.00 0.00 N ATOM 656 CA ALA A 70 8.736 -1.617 5.298 1.00 0.00 C ATOM 657 C ALA A 70 8.604 -2.967 4.568 1.00 0.00 C ATOM 658 O ALA A 70 7.763 -3.114 3.675 1.00 0.00 O ATOM 659 CB ALA A 70 10.111 -0.979 5.043 1.00 0.00 C ATOM 0 H ALA A 70 9.259 -1.470 7.334 1.00 0.00 H new ATOM 0 HA ALA A 70 7.973 -0.958 4.885 1.00 0.00 H new ATOM 0 HB1 ALA A 70 10.283 -0.901 3.969 1.00 0.00 H new ATOM 0 HB2 ALA A 70 10.139 0.016 5.488 1.00 0.00 H new ATOM 0 HB3 ALA A 70 10.888 -1.598 5.491 1.00 0.00 H new ATOM 665 N ALA A 71 9.397 -3.956 5.001 1.00 0.00 N ATOM 666 CA ALA A 71 9.463 -5.277 4.350 1.00 0.00 C ATOM 667 C ALA A 71 8.119 -6.032 4.455 1.00 0.00 C ATOM 668 O ALA A 71 7.711 -6.704 3.505 1.00 0.00 O ATOM 669 CB ALA A 71 10.614 -6.110 4.940 1.00 0.00 C ATOM 0 H ALA A 71 10.011 -3.866 5.811 1.00 0.00 H new ATOM 0 HA ALA A 71 9.661 -5.118 3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.649 -7.082 4.448 1.00 0.00 H new ATOM 0 HB2 ALA A 71 11.558 -5.589 4.782 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.452 -6.249 6.009 1.00 0.00 H new ATOM 675 N HIS A 72 7.425 -5.873 5.601 1.00 0.00 N ATOM 676 CA HIS A 72 6.128 -6.537 5.857 1.00 0.00 C ATOM 677 C HIS A 72 5.045 -6.026 4.894 1.00 0.00 C ATOM 678 O HIS A 72 4.436 -6.815 4.161 1.00 0.00 O ATOM 679 CB HIS A 72 5.667 -6.326 7.322 1.00 0.00 C ATOM 680 CG HIS A 72 6.519 -7.004 8.371 1.00 0.00 C ATOM 681 ND1 HIS A 72 6.366 -6.774 9.725 1.00 0.00 N ATOM 682 CD2 HIS A 72 7.506 -7.930 8.266 1.00 0.00 C ATOM 683 CE1 HIS A 72 7.221 -7.524 10.395 1.00 0.00 C ATOM 684 NE2 HIS A 72 7.918 -8.233 9.534 1.00 0.00 N ATOM 0 H HIS A 72 7.744 -5.285 6.371 1.00 0.00 H new ATOM 0 HA HIS A 72 6.274 -7.604 5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.648 -5.256 7.529 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.643 -6.688 7.419 1.00 0.00 H new ATOM 0 HD1 HIS A 72 5.697 -6.126 10.141 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.894 -8.350 7.350 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.330 -7.551 11.469 1.00 0.00 H new ATOM 693 N ILE A 73 4.854 -4.692 4.884 1.00 0.00 N ATOM 694 CA ILE A 73 3.825 -4.025 4.056 1.00 0.00 C ATOM 695 C ILE A 73 4.083 -4.295 2.563 1.00 0.00 C ATOM 696 O ILE A 73 3.146 -4.570 1.801 1.00 0.00 O ATOM 697 CB ILE A 73 3.789 -2.471 4.330 1.00 0.00 C ATOM 698 CG1 ILE A 73 3.443 -2.164 5.826 1.00 0.00 C ATOM 699 CG2 ILE A 73 2.814 -1.735 3.374 1.00 0.00 C ATOM 700 CD1 ILE A 73 2.080 -2.647 6.302 1.00 0.00 C ATOM 0 H ILE A 73 5.407 -4.046 5.448 1.00 0.00 H new ATOM 0 HA ILE A 73 2.854 -4.439 4.330 1.00 0.00 H new ATOM 0 HB ILE A 73 4.791 -2.091 4.130 1.00 0.00 H new ATOM 0 HG12 ILE A 73 4.209 -2.616 6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 73 3.500 -1.086 5.979 1.00 0.00 H new ATOM 0 HG21 ILE A 73 2.821 -0.668 3.598 1.00 0.00 H new ATOM 0 HG22 ILE A 73 3.129 -1.891 2.342 1.00 0.00 H new ATOM 0 HG23 ILE A 73 1.806 -2.128 3.509 1.00 0.00 H new ATOM 0 HD11 ILE A 73 1.946 -2.382 7.351 1.00 0.00 H new ATOM 0 HD12 ILE A 73 1.298 -2.176 5.706 1.00 0.00 H new ATOM 0 HD13 ILE A 73 2.018 -3.730 6.191 1.00 0.00 H new ATOM 712 N ALA A 74 5.376 -4.258 2.187 1.00 0.00 N ATOM 713 CA ALA A 74 5.845 -4.497 0.810 1.00 0.00 C ATOM 714 C ALA A 74 5.457 -5.901 0.312 1.00 0.00 C ATOM 715 O ALA A 74 5.068 -6.063 -0.850 1.00 0.00 O ATOM 716 CB ALA A 74 7.366 -4.294 0.723 1.00 0.00 C ATOM 0 H ALA A 74 6.133 -4.059 2.840 1.00 0.00 H new ATOM 0 HA ALA A 74 5.353 -3.773 0.161 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.699 -4.474 -0.299 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.614 -3.272 1.011 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.865 -4.992 1.395 1.00 0.00 H new ATOM 722 N GLU A 75 5.533 -6.897 1.217 1.00 0.00 N ATOM 723 CA GLU A 75 5.177 -8.294 0.903 1.00 0.00 C ATOM 724 C GLU A 75 3.670 -8.459 0.674 1.00 0.00 C ATOM 725 O GLU A 75 3.260 -9.251 -0.176 1.00 0.00 O ATOM 726 CB GLU A 75 5.671 -9.263 2.014 1.00 0.00 C ATOM 727 CG GLU A 75 7.196 -9.487 2.028 1.00 0.00 C ATOM 728 CD GLU A 75 7.735 -10.049 0.697 1.00 0.00 C ATOM 729 OE1 GLU A 75 7.573 -11.258 0.438 1.00 0.00 O ATOM 730 OE2 GLU A 75 8.319 -9.288 -0.103 1.00 0.00 O ATOM 0 H GLU A 75 5.841 -6.757 2.179 1.00 0.00 H new ATOM 0 HA GLU A 75 5.684 -8.552 -0.027 1.00 0.00 H new ATOM 0 HB2 GLU A 75 5.364 -8.872 2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 75 5.175 -10.225 1.887 1.00 0.00 H new ATOM 0 HG2 GLU A 75 7.694 -8.542 2.245 1.00 0.00 H new ATOM 0 HG3 GLU A 75 7.449 -10.174 2.835 1.00 0.00 H new ATOM 737 N ILE A 76 2.860 -7.707 1.434 1.00 0.00 N ATOM 738 CA ILE A 76 1.384 -7.782 1.351 1.00 0.00 C ATOM 739 C ILE A 76 0.885 -7.286 -0.022 1.00 0.00 C ATOM 740 O ILE A 76 0.092 -7.955 -0.694 1.00 0.00 O ATOM 741 CB ILE A 76 0.694 -6.921 2.470 1.00 0.00 C ATOM 742 CG1 ILE A 76 1.273 -7.254 3.874 1.00 0.00 C ATOM 743 CG2 ILE A 76 -0.839 -7.131 2.444 1.00 0.00 C ATOM 744 CD1 ILE A 76 0.826 -6.309 4.978 1.00 0.00 C ATOM 0 H ILE A 76 3.201 -7.033 2.120 1.00 0.00 H new ATOM 0 HA ILE A 76 1.117 -8.830 1.490 1.00 0.00 H new ATOM 0 HB ILE A 76 0.904 -5.871 2.266 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.982 -8.270 4.142 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.361 -7.239 3.818 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -1.302 -6.528 3.225 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -1.231 -6.830 1.473 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.065 -8.183 2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.276 -6.614 5.923 1.00 0.00 H new ATOM 0 HD12 ILE A 76 1.141 -5.294 4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.260 -6.341 5.067 1.00 0.00 H new ATOM 756 N ILE A 77 1.369 -6.101 -0.408 1.00 0.00 N ATOM 757 CA ILE A 77 0.910 -5.392 -1.620 1.00 0.00 C ATOM 758 C ILE A 77 1.447 -6.054 -2.915 1.00 0.00 C ATOM 759 O ILE A 77 0.745 -6.077 -3.936 1.00 0.00 O ATOM 760 CB ILE A 77 1.287 -3.864 -1.528 1.00 0.00 C ATOM 761 CG1 ILE A 77 0.809 -3.051 -2.772 1.00 0.00 C ATOM 762 CG2 ILE A 77 2.796 -3.665 -1.286 1.00 0.00 C ATOM 763 CD1 ILE A 77 1.109 -1.559 -2.701 1.00 0.00 C ATOM 0 H ILE A 77 2.092 -5.600 0.109 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.176 -5.467 -1.673 1.00 0.00 H new ATOM 0 HB ILE A 77 0.751 -3.469 -0.665 1.00 0.00 H new ATOM 0 HG12 ILE A 77 1.282 -3.462 -3.664 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -0.266 -3.188 -2.889 1.00 0.00 H new ATOM 0 HG21 ILE A 77 3.018 -2.599 -1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 77 3.081 -4.146 -0.350 1.00 0.00 H new ATOM 0 HG23 ILE A 77 3.358 -4.109 -2.108 1.00 0.00 H new ATOM 0 HD11 ILE A 77 0.744 -1.071 -3.605 1.00 0.00 H new ATOM 0 HD12 ILE A 77 0.613 -1.129 -1.831 1.00 0.00 H new ATOM 0 HD13 ILE A 77 2.185 -1.408 -2.617 1.00 0.00 H new ATOM 775 N THR A 78 2.669 -6.635 -2.860 1.00 0.00 N ATOM 776 CA THR A 78 3.226 -7.394 -4.007 1.00 0.00 C ATOM 777 C THR A 78 2.496 -8.747 -4.156 1.00 0.00 C ATOM 778 O THR A 78 2.357 -9.271 -5.268 1.00 0.00 O ATOM 779 CB THR A 78 4.783 -7.599 -3.915 1.00 0.00 C ATOM 780 OG1 THR A 78 5.290 -8.081 -5.169 1.00 0.00 O ATOM 781 CG2 THR A 78 5.204 -8.583 -2.812 1.00 0.00 C ATOM 0 H THR A 78 3.282 -6.594 -2.045 1.00 0.00 H new ATOM 0 HA THR A 78 3.054 -6.793 -4.900 1.00 0.00 H new ATOM 0 HB THR A 78 5.202 -6.623 -3.668 1.00 0.00 H new ATOM 0 HG1 THR A 78 6.260 -8.205 -5.104 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.290 -8.678 -2.804 1.00 0.00 H new ATOM 0 HG22 THR A 78 4.865 -8.212 -1.845 1.00 0.00 H new ATOM 0 HG23 THR A 78 4.756 -9.558 -3.004 1.00 0.00 H new ATOM 789 N ALA A 79 2.011 -9.289 -3.016 1.00 0.00 N ATOM 790 CA ALA A 79 1.163 -10.495 -2.993 1.00 0.00 C ATOM 791 C ALA A 79 -0.215 -10.200 -3.614 1.00 0.00 C ATOM 792 O ALA A 79 -0.850 -11.091 -4.184 1.00 0.00 O ATOM 793 CB ALA A 79 1.022 -11.027 -1.558 1.00 0.00 C ATOM 0 H ALA A 79 2.198 -8.902 -2.091 1.00 0.00 H new ATOM 0 HA ALA A 79 1.643 -11.268 -3.593 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.393 -11.917 -1.560 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.007 -11.280 -1.165 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.566 -10.262 -0.930 1.00 0.00 H new ATOM 799 N ALA A 80 -0.659 -8.929 -3.506 1.00 0.00 N ATOM 800 CA ALA A 80 -1.914 -8.446 -4.124 1.00 0.00 C ATOM 801 C ALA A 80 -1.763 -8.251 -5.652 1.00 0.00 C ATOM 802 O ALA A 80 -2.744 -7.955 -6.341 1.00 0.00 O ATOM 803 CB ALA A 80 -2.364 -7.141 -3.443 1.00 0.00 C ATOM 0 H ALA A 80 -0.157 -8.208 -2.988 1.00 0.00 H new ATOM 0 HA ALA A 80 -2.681 -9.206 -3.975 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -3.288 -6.791 -3.903 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -2.533 -7.324 -2.382 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -1.590 -6.383 -3.562 1.00 0.00 H new ATOM 809 N GLY A 81 -0.527 -8.418 -6.163 1.00 0.00 N ATOM 810 CA GLY A 81 -0.246 -8.336 -7.596 1.00 0.00 C ATOM 811 C GLY A 81 0.104 -6.926 -8.054 1.00 0.00 C ATOM 812 O GLY A 81 -0.027 -6.606 -9.242 1.00 0.00 O ATOM 0 H GLY A 81 0.295 -8.612 -5.591 1.00 0.00 H new ATOM 0 HA2 GLY A 81 0.579 -9.006 -7.838 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -1.115 -8.687 -8.152 1.00 0.00 H new ATOM 816 N TYR A 82 0.538 -6.074 -7.105 1.00 0.00 N ATOM 817 CA TYR A 82 0.942 -4.681 -7.384 1.00 0.00 C ATOM 818 C TYR A 82 2.338 -4.427 -6.794 1.00 0.00 C ATOM 819 O TYR A 82 2.510 -4.463 -5.574 1.00 0.00 O ATOM 820 CB TYR A 82 -0.099 -3.683 -6.814 1.00 0.00 C ATOM 821 CG TYR A 82 -1.485 -3.789 -7.479 1.00 0.00 C ATOM 822 CD1 TYR A 82 -2.454 -4.678 -6.995 1.00 0.00 C ATOM 823 CD2 TYR A 82 -1.817 -3.017 -8.597 1.00 0.00 C ATOM 824 CE1 TYR A 82 -3.689 -4.787 -7.594 1.00 0.00 C ATOM 825 CE2 TYR A 82 -3.055 -3.127 -9.198 1.00 0.00 C ATOM 826 CZ TYR A 82 -3.988 -4.012 -8.694 1.00 0.00 C ATOM 827 OH TYR A 82 -5.223 -4.122 -9.300 1.00 0.00 O ATOM 0 H TYR A 82 0.619 -6.332 -6.122 1.00 0.00 H new ATOM 0 HA TYR A 82 0.984 -4.527 -8.462 1.00 0.00 H new ATOM 0 HB2 TYR A 82 -0.205 -3.854 -5.743 1.00 0.00 H new ATOM 0 HB3 TYR A 82 0.278 -2.668 -6.938 1.00 0.00 H new ATOM 0 HD1 TYR A 82 -2.228 -5.290 -6.135 1.00 0.00 H new ATOM 0 HD2 TYR A 82 -1.093 -2.323 -8.997 1.00 0.00 H new ATOM 0 HE1 TYR A 82 -4.421 -5.478 -7.203 1.00 0.00 H new ATOM 0 HE2 TYR A 82 -3.293 -2.522 -10.060 1.00 0.00 H new ATOM 0 HH TYR A 82 -5.271 -3.505 -10.060 1.00 0.00 H new ATOM 837 N THR A 83 3.326 -4.179 -7.672 1.00 0.00 N ATOM 838 CA THR A 83 4.734 -4.000 -7.277 1.00 0.00 C ATOM 839 C THR A 83 4.937 -2.654 -6.513 1.00 0.00 C ATOM 840 O THR A 83 4.748 -1.578 -7.091 1.00 0.00 O ATOM 841 CB THR A 83 5.697 -4.115 -8.522 1.00 0.00 C ATOM 842 OG1 THR A 83 7.064 -3.928 -8.118 1.00 0.00 O ATOM 843 CG2 THR A 83 5.348 -3.131 -9.662 1.00 0.00 C ATOM 0 H THR A 83 3.170 -4.097 -8.677 1.00 0.00 H new ATOM 0 HA THR A 83 4.994 -4.807 -6.592 1.00 0.00 H new ATOM 0 HB THR A 83 5.559 -5.120 -8.920 1.00 0.00 H new ATOM 0 HG1 THR A 83 7.330 -2.999 -8.283 1.00 0.00 H new ATOM 0 HG21 THR A 83 6.050 -3.264 -10.485 1.00 0.00 H new ATOM 0 HG22 THR A 83 4.335 -3.326 -10.013 1.00 0.00 H new ATOM 0 HG23 THR A 83 5.413 -2.108 -9.292 1.00 0.00 H new ATOM 851 N PRO A 84 5.303 -2.694 -5.179 1.00 0.00 N ATOM 852 CA PRO A 84 5.475 -1.469 -4.352 1.00 0.00 C ATOM 853 C PRO A 84 6.731 -0.667 -4.728 1.00 0.00 C ATOM 854 O PRO A 84 6.850 0.514 -4.393 1.00 0.00 O ATOM 855 CB PRO A 84 5.574 -2.025 -2.912 1.00 0.00 C ATOM 856 CG PRO A 84 6.162 -3.395 -3.085 1.00 0.00 C ATOM 857 CD PRO A 84 5.568 -3.927 -4.374 1.00 0.00 C ATOM 0 HA PRO A 84 4.657 -0.763 -4.492 1.00 0.00 H new ATOM 0 HB2 PRO A 84 6.207 -1.397 -2.285 1.00 0.00 H new ATOM 0 HB3 PRO A 84 4.595 -2.069 -2.434 1.00 0.00 H new ATOM 0 HG2 PRO A 84 7.250 -3.352 -3.142 1.00 0.00 H new ATOM 0 HG3 PRO A 84 5.912 -4.039 -2.242 1.00 0.00 H new ATOM 0 HD2 PRO A 84 6.258 -4.598 -4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 84 4.653 -4.490 -4.191 1.00 0.00 H new ATOM 865 N GLU A 85 7.665 -1.343 -5.410 1.00 0.00 N ATOM 866 CA GLU A 85 8.945 -0.779 -5.835 1.00 0.00 C ATOM 867 C GLU A 85 8.956 -0.675 -7.376 1.00 0.00 C ATOM 868 O GLU A 85 8.805 0.443 -7.905 1.00 0.00 O ATOM 869 CB GLU A 85 10.112 -1.673 -5.322 1.00 0.00 C ATOM 870 CG GLU A 85 10.099 -1.929 -3.802 1.00 0.00 C ATOM 871 CD GLU A 85 11.267 -2.807 -3.322 1.00 0.00 C ATOM 872 OE1 GLU A 85 11.151 -4.049 -3.371 1.00 0.00 O ATOM 873 OE2 GLU A 85 12.300 -2.256 -2.888 1.00 0.00 O ATOM 874 OXT GLU A 85 9.064 -1.726 -8.049 1.00 0.00 O ATOM 0 H GLU A 85 7.545 -2.318 -5.686 1.00 0.00 H new ATOM 0 HA GLU A 85 9.078 0.217 -5.414 1.00 0.00 H new ATOM 0 HB2 GLU A 85 10.074 -2.631 -5.840 1.00 0.00 H new ATOM 0 HB3 GLU A 85 11.058 -1.203 -5.591 1.00 0.00 H new ATOM 0 HG2 GLU A 85 10.134 -0.973 -3.279 1.00 0.00 H new ATOM 0 HG3 GLU A 85 9.158 -2.407 -3.529 1.00 0.00 H new