USER MOD reduce.3.24.130724 H: found=0, std=0, add=858, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 858 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 63 SER OG : rot -95:sc= 1.85! USER MOD Set 1.2: A 66 CYS SG : rot 33:sc= 1.63 USER MOD Single : A 1 GLY N :NH3+ -124:sc= 0.073 (180deg=0) USER MOD Single : A 4 SER OG : rot 55:sc= 0.0193 USER MOD Single : A 5 MET CE :methyl 139:sc= -0.987 (180deg=-3.64!) USER MOD Single : A 6 SER OG : rot 169:sc= 1.04 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 120:sc= -2.05! USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= -1.7 K(o=-1.7,f=-6.2!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0.32 K(o=0.32,f=-0.47) USER MOD Single : A 53 THR OG1 : rot -25:sc= 0.512 USER MOD Single : A 59 MET CE :methyl -109:sc= -0.685 (180deg=-1.7!) USER MOD Single : A 60 THR OG1 : rot 103:sc= 1.13 USER MOD Single : A 62 THR OG1 : rot 180:sc=-0.00283 USER MOD Single : A 69 THR OG1 : rot 93:sc= 0.995 USER MOD Single : A 75 GLN : amide:sc= -0.553 X(o=-0.55,f=-0.82) USER MOD Single : A 76 SER OG : rot 83:sc= 1.11 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot -129:sc= 0.00272 USER MOD Single : A 92 ASN : amide:sc= -0.498 K(o=-0.5,f=-3.2!) USER MOD Single : A 96 ASN : amide:sc= -0.359 X(o=-0.36,f=0) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 THR OG1 : rot 113:sc= 0.914 USER MOD Single : A 111 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 118 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 16.974 -8.384 -3.191 1.00 52.54 N ATOM 2 CA GLY A 1 15.992 -7.317 -2.875 1.00 61.32 C ATOM 3 C GLY A 1 15.490 -7.403 -1.447 1.00 12.21 C ATOM 4 O GLY A 1 16.056 -8.135 -0.635 1.00 22.44 O ATOM 0 H1 GLY A 1 17.857 -7.953 -3.533 1.00 52.54 H new ATOM 0 H2 GLY A 1 17.170 -8.941 -2.335 1.00 52.54 H new ATOM 0 H3 GLY A 1 16.585 -9.007 -3.927 1.00 52.54 H new ATOM 0 HA2 GLY A 1 16.452 -6.343 -3.038 1.00 61.32 H new ATOM 0 HA3 GLY A 1 15.147 -7.389 -3.560 1.00 61.32 H new ATOM 10 N PRO A 2 14.412 -6.665 -1.109 1.00 74.21 N ATOM 11 CA PRO A 2 13.843 -6.645 0.247 1.00 61.21 C ATOM 12 C PRO A 2 13.083 -7.931 0.585 1.00 15.54 C ATOM 13 O PRO A 2 12.569 -8.083 1.697 1.00 0.23 O ATOM 14 CB PRO A 2 12.876 -5.437 0.225 1.00 32.31 C ATOM 15 CG PRO A 2 13.137 -4.734 -1.072 1.00 33.21 C ATOM 16 CD PRO A 2 13.666 -5.780 -2.011 1.00 32.40 C ATOM 0 HA PRO A 2 14.622 -6.568 1.006 1.00 61.21 H new ATOM 0 HB2 PRO A 2 11.838 -5.764 0.291 1.00 32.31 H new ATOM 0 HB3 PRO A 2 13.056 -4.775 1.072 1.00 32.31 H new ATOM 0 HG2 PRO A 2 12.224 -4.285 -1.463 1.00 33.21 H new ATOM 0 HG3 PRO A 2 13.858 -3.927 -0.940 1.00 33.21 H new ATOM 0 HD2 PRO A 2 12.863 -6.308 -2.525 1.00 32.40 H new ATOM 0 HD3 PRO A 2 14.308 -5.349 -2.780 1.00 32.40 H new ATOM 24 N GLY A 3 13.018 -8.848 -0.377 1.00 52.54 N ATOM 25 CA GLY A 3 12.266 -10.079 -0.202 1.00 54.44 C ATOM 26 C GLY A 3 11.035 -10.100 -1.085 1.00 22.11 C ATOM 27 O GLY A 3 9.949 -9.702 -0.657 1.00 33.21 O ATOM 0 H GLY A 3 13.478 -8.758 -1.283 1.00 52.54 H new ATOM 0 HA2 GLY A 3 12.901 -10.933 -0.439 1.00 54.44 H new ATOM 0 HA3 GLY A 3 11.970 -10.182 0.842 1.00 54.44 H new ATOM 31 N SER A 4 11.210 -10.546 -2.326 1.00 60.35 N ATOM 32 CA SER A 4 10.137 -10.547 -3.316 1.00 14.44 C ATOM 33 C SER A 4 9.119 -11.663 -3.047 1.00 61.41 C ATOM 34 O SER A 4 9.000 -12.617 -3.819 1.00 11.21 O ATOM 35 CB SER A 4 10.731 -10.664 -4.730 1.00 42.35 C ATOM 36 OG SER A 4 11.699 -11.703 -4.801 1.00 62.43 O ATOM 0 H SER A 4 12.095 -10.915 -2.673 1.00 60.35 H new ATOM 0 HA SER A 4 9.599 -9.602 -3.239 1.00 14.44 H new ATOM 0 HB2 SER A 4 9.933 -10.858 -5.447 1.00 42.35 H new ATOM 0 HB3 SER A 4 11.190 -9.717 -5.013 1.00 42.35 H new ATOM 0 HG SER A 4 11.300 -12.543 -4.492 1.00 62.43 H new ATOM 42 N MET A 5 8.408 -11.541 -1.926 1.00 54.10 N ATOM 43 CA MET A 5 7.314 -12.452 -1.583 1.00 13.11 C ATOM 44 C MET A 5 5.983 -11.812 -1.968 1.00 63.44 C ATOM 45 O MET A 5 4.920 -12.432 -1.881 1.00 35.42 O ATOM 46 CB MET A 5 7.331 -12.777 -0.079 1.00 32.45 C ATOM 47 CG MET A 5 8.592 -13.494 0.413 1.00 2.21 C ATOM 48 SD MET A 5 8.697 -15.227 -0.107 1.00 5.21 S ATOM 49 CE MET A 5 9.344 -15.089 -1.774 1.00 45.43 C ATOM 0 H MET A 5 8.572 -10.812 -1.232 1.00 54.10 H new ATOM 0 HA MET A 5 7.442 -13.384 -2.134 1.00 13.11 H new ATOM 0 HB2 MET A 5 7.218 -11.848 0.480 1.00 32.45 H new ATOM 0 HB3 MET A 5 6.465 -13.396 0.154 1.00 32.45 H new ATOM 0 HG2 MET A 5 9.469 -12.960 0.046 1.00 2.21 H new ATOM 0 HG3 MET A 5 8.623 -13.448 1.502 1.00 2.21 H new ATOM 0 HE1 MET A 5 10.089 -15.867 -1.941 1.00 45.43 H new ATOM 0 HE2 MET A 5 8.531 -15.205 -2.491 1.00 45.43 H new ATOM 0 HE3 MET A 5 9.806 -14.111 -1.905 1.00 45.43 H new ATOM 59 N SER A 6 6.065 -10.556 -2.388 1.00 60.33 N ATOM 60 CA SER A 6 4.914 -9.795 -2.841 1.00 11.11 C ATOM 61 C SER A 6 5.400 -8.605 -3.664 1.00 71.52 C ATOM 62 O SER A 6 6.608 -8.446 -3.866 1.00 30.01 O ATOM 63 CB SER A 6 4.064 -9.324 -1.649 1.00 72.51 C ATOM 64 OG SER A 6 2.885 -8.668 -2.091 1.00 72.20 O ATOM 0 H SER A 6 6.941 -10.035 -2.423 1.00 60.33 H new ATOM 0 HA SER A 6 4.282 -10.431 -3.461 1.00 11.11 H new ATOM 0 HB2 SER A 6 3.797 -10.179 -1.028 1.00 72.51 H new ATOM 0 HB3 SER A 6 4.649 -8.647 -1.026 1.00 72.51 H new ATOM 0 HG SER A 6 2.278 -8.540 -1.332 1.00 72.20 H new ATOM 70 N GLU A 7 4.459 -7.778 -4.112 1.00 23.52 N ATOM 71 CA GLU A 7 4.740 -6.650 -5.001 1.00 25.35 C ATOM 72 C GLU A 7 5.435 -7.113 -6.282 1.00 74.01 C ATOM 73 O GLU A 7 6.649 -7.323 -6.321 1.00 32.44 O ATOM 74 CB GLU A 7 5.560 -5.548 -4.304 1.00 41.44 C ATOM 75 CG GLU A 7 5.837 -4.337 -5.200 1.00 44.03 C ATOM 76 CD GLU A 7 4.569 -3.790 -5.853 1.00 34.04 C ATOM 77 OE1 GLU A 7 4.190 -4.289 -6.944 1.00 2.22 O ATOM 78 OE2 GLU A 7 3.946 -2.878 -5.277 1.00 14.00 O ATOM 0 H GLU A 7 3.473 -7.871 -3.868 1.00 23.52 H new ATOM 0 HA GLU A 7 3.777 -6.216 -5.270 1.00 25.35 H new ATOM 0 HB2 GLU A 7 5.026 -5.217 -3.413 1.00 41.44 H new ATOM 0 HB3 GLU A 7 6.509 -5.968 -3.970 1.00 41.44 H new ATOM 0 HG2 GLU A 7 6.305 -3.551 -4.608 1.00 44.03 H new ATOM 0 HG3 GLU A 7 6.549 -4.618 -5.976 1.00 44.03 H new ATOM 85 N THR A 8 4.633 -7.288 -7.324 1.00 1.14 N ATOM 86 CA THR A 8 5.111 -7.697 -8.636 1.00 21.01 C ATOM 87 C THR A 8 4.206 -7.091 -9.707 1.00 45.14 C ATOM 88 O THR A 8 3.981 -7.683 -10.767 1.00 5.54 O ATOM 89 CB THR A 8 5.130 -9.244 -8.774 1.00 51.32 C ATOM 90 OG1 THR A 8 3.897 -9.797 -8.289 1.00 71.22 O ATOM 91 CG2 THR A 8 6.303 -9.867 -8.017 1.00 43.31 C ATOM 0 H THR A 8 3.624 -7.149 -7.281 1.00 1.14 H new ATOM 0 HA THR A 8 6.133 -7.339 -8.762 1.00 21.01 H new ATOM 0 HB THR A 8 5.249 -9.477 -9.832 1.00 51.32 H new ATOM 0 HG1 THR A 8 3.917 -10.772 -8.381 1.00 71.22 H new ATOM 0 HG21 THR A 8 6.280 -10.950 -8.139 1.00 43.31 H new ATOM 0 HG22 THR A 8 7.240 -9.477 -8.413 1.00 43.31 H new ATOM 0 HG23 THR A 8 6.226 -9.619 -6.958 1.00 43.31 H new ATOM 99 N SER A 9 3.694 -5.901 -9.416 1.00 22.21 N ATOM 100 CA SER A 9 2.735 -5.233 -10.284 1.00 23.44 C ATOM 101 C SER A 9 3.393 -4.802 -11.598 1.00 75.21 C ATOM 102 O SER A 9 4.419 -4.116 -11.594 1.00 35.20 O ATOM 103 CB SER A 9 2.137 -4.020 -9.557 1.00 2.42 C ATOM 104 OG SER A 9 1.154 -3.376 -10.348 1.00 44.21 O ATOM 0 H SER A 9 3.931 -5.375 -8.575 1.00 22.21 H new ATOM 0 HA SER A 9 1.936 -5.934 -10.526 1.00 23.44 H new ATOM 0 HB2 SER A 9 1.694 -4.341 -8.614 1.00 2.42 H new ATOM 0 HB3 SER A 9 2.930 -3.313 -9.313 1.00 2.42 H new ATOM 0 HG SER A 9 0.295 -3.388 -9.876 1.00 44.21 H new ATOM 110 N ALA A 10 2.799 -5.234 -12.716 1.00 53.11 N ATOM 111 CA ALA A 10 3.262 -4.871 -14.057 1.00 14.34 C ATOM 112 C ALA A 10 4.614 -5.517 -14.388 1.00 24.24 C ATOM 113 O ALA A 10 5.303 -6.024 -13.500 1.00 32.42 O ATOM 114 CB ALA A 10 3.331 -3.351 -14.210 1.00 33.15 C ATOM 0 H ALA A 10 1.983 -5.846 -12.715 1.00 53.11 H new ATOM 0 HA ALA A 10 2.536 -5.258 -14.772 1.00 14.34 H new ATOM 0 HB1 ALA A 10 3.677 -3.102 -15.213 1.00 33.15 H new ATOM 0 HB2 ALA A 10 2.341 -2.924 -14.051 1.00 33.15 H new ATOM 0 HB3 ALA A 10 4.024 -2.942 -13.475 1.00 33.15 H new ATOM 120 N PRO A 11 4.986 -5.547 -15.688 1.00 43.42 N ATOM 121 CA PRO A 11 6.306 -6.013 -16.131 1.00 42.52 C ATOM 122 C PRO A 11 7.442 -5.389 -15.318 1.00 64.55 C ATOM 123 O PRO A 11 7.303 -4.282 -14.794 1.00 23.43 O ATOM 124 CB PRO A 11 6.371 -5.546 -17.589 1.00 10.53 C ATOM 125 CG PRO A 11 4.951 -5.511 -18.040 1.00 43.55 C ATOM 126 CD PRO A 11 4.130 -5.155 -16.829 1.00 41.12 C ATOM 0 HA PRO A 11 6.425 -7.089 -16.007 1.00 42.52 H new ATOM 0 HB2 PRO A 11 6.836 -4.564 -17.670 1.00 10.53 H new ATOM 0 HB3 PRO A 11 6.963 -6.230 -18.198 1.00 10.53 H new ATOM 0 HG2 PRO A 11 4.813 -4.776 -18.833 1.00 43.55 H new ATOM 0 HG3 PRO A 11 4.648 -6.477 -18.445 1.00 43.55 H new ATOM 0 HD2 PRO A 11 3.895 -4.091 -16.805 1.00 41.12 H new ATOM 0 HD3 PRO A 11 3.181 -5.691 -16.819 1.00 41.12 H new ATOM 134 N ALA A 12 8.565 -6.096 -15.241 1.00 13.44 N ATOM 135 CA ALA A 12 9.705 -5.678 -14.422 1.00 61.24 C ATOM 136 C ALA A 12 10.166 -4.260 -14.760 1.00 61.31 C ATOM 137 O ALA A 12 10.674 -3.549 -13.897 1.00 54.44 O ATOM 138 CB ALA A 12 10.858 -6.660 -14.588 1.00 55.54 C ATOM 0 H ALA A 12 8.713 -6.972 -15.741 1.00 13.44 H new ATOM 0 HA ALA A 12 9.378 -5.675 -13.382 1.00 61.24 H new ATOM 0 HB1 ALA A 12 11.700 -6.339 -13.975 1.00 55.54 H new ATOM 0 HB2 ALA A 12 10.538 -7.653 -14.274 1.00 55.54 H new ATOM 0 HB3 ALA A 12 11.162 -6.691 -15.634 1.00 55.54 H new ATOM 144 N GLU A 13 9.978 -3.853 -16.013 1.00 14.44 N ATOM 145 CA GLU A 13 10.382 -2.517 -16.456 1.00 44.43 C ATOM 146 C GLU A 13 9.583 -1.457 -15.706 1.00 52.23 C ATOM 147 O GLU A 13 10.135 -0.467 -15.219 1.00 24.54 O ATOM 148 CB GLU A 13 10.173 -2.341 -17.971 1.00 0.12 C ATOM 149 CG GLU A 13 10.907 -3.363 -18.837 1.00 23.11 C ATOM 150 CD GLU A 13 10.317 -4.759 -18.723 1.00 51.33 C ATOM 151 OE1 GLU A 13 9.123 -4.926 -19.046 1.00 51.33 O ATOM 152 OE2 GLU A 13 11.033 -5.692 -18.296 1.00 14.54 O ATOM 0 H GLU A 13 9.550 -4.426 -16.740 1.00 14.44 H new ATOM 0 HA GLU A 13 11.444 -2.400 -16.241 1.00 44.43 H new ATOM 0 HB2 GLU A 13 9.106 -2.401 -18.187 1.00 0.12 H new ATOM 0 HB3 GLU A 13 10.500 -1.341 -18.256 1.00 0.12 H new ATOM 0 HG2 GLU A 13 10.873 -3.042 -19.878 1.00 23.11 H new ATOM 0 HG3 GLU A 13 11.957 -3.392 -18.547 1.00 23.11 H new ATOM 159 N GLU A 14 8.276 -1.687 -15.613 1.00 44.13 N ATOM 160 CA GLU A 14 7.379 -0.767 -14.923 1.00 32.10 C ATOM 161 C GLU A 14 7.584 -0.893 -13.419 1.00 44.30 C ATOM 162 O GLU A 14 7.741 0.104 -12.708 1.00 74.21 O ATOM 163 CB GLU A 14 5.915 -1.079 -15.271 1.00 2.23 C ATOM 164 CG GLU A 14 5.653 -1.275 -16.762 1.00 33.51 C ATOM 165 CD GLU A 14 6.104 -0.093 -17.601 1.00 65.21 C ATOM 166 OE1 GLU A 14 5.533 1.008 -17.443 1.00 73.21 O ATOM 167 OE2 GLU A 14 7.023 -0.262 -18.434 1.00 54.21 O ATOM 0 H GLU A 14 7.814 -2.506 -16.009 1.00 44.13 H new ATOM 0 HA GLU A 14 7.604 0.250 -15.243 1.00 32.10 H new ATOM 0 HB2 GLU A 14 5.611 -1.980 -14.739 1.00 2.23 H new ATOM 0 HB3 GLU A 14 5.286 -0.267 -14.907 1.00 2.23 H new ATOM 0 HG2 GLU A 14 6.169 -2.173 -17.102 1.00 33.51 H new ATOM 0 HG3 GLU A 14 4.587 -1.441 -16.920 1.00 33.51 H new ATOM 174 N LEU A 15 7.608 -2.143 -12.961 1.00 33.31 N ATOM 175 CA LEU A 15 7.761 -2.464 -11.549 1.00 41.21 C ATOM 176 C LEU A 15 9.013 -1.794 -10.988 1.00 33.41 C ATOM 177 O LEU A 15 8.964 -1.188 -9.928 1.00 64.41 O ATOM 178 CB LEU A 15 7.821 -3.999 -11.374 1.00 14.21 C ATOM 179 CG LEU A 15 7.800 -4.545 -9.925 1.00 22.51 C ATOM 180 CD1 LEU A 15 9.168 -4.419 -9.250 1.00 74.20 C ATOM 181 CD2 LEU A 15 6.724 -3.841 -9.098 1.00 45.42 C ATOM 0 H LEU A 15 7.521 -2.962 -13.563 1.00 33.31 H new ATOM 0 HA LEU A 15 6.904 -2.085 -10.993 1.00 41.21 H new ATOM 0 HB2 LEU A 15 6.978 -4.434 -11.912 1.00 14.21 H new ATOM 0 HB3 LEU A 15 8.729 -4.359 -11.858 1.00 14.21 H new ATOM 0 HG LEU A 15 7.559 -5.607 -9.980 1.00 22.51 H new ATOM 0 HD11 LEU A 15 9.111 -4.813 -8.235 1.00 74.20 H new ATOM 0 HD12 LEU A 15 9.907 -4.984 -9.818 1.00 74.20 H new ATOM 0 HD13 LEU A 15 9.462 -3.370 -9.216 1.00 74.20 H new ATOM 0 HD21 LEU A 15 6.726 -4.239 -8.083 1.00 45.42 H new ATOM 0 HD22 LEU A 15 6.930 -2.771 -9.068 1.00 45.42 H new ATOM 0 HD23 LEU A 15 5.748 -4.010 -9.552 1.00 45.42 H new ATOM 193 N LEU A 16 10.120 -1.884 -11.721 1.00 3.53 N ATOM 194 CA LEU A 16 11.399 -1.324 -11.275 1.00 1.23 C ATOM 195 C LEU A 16 11.258 0.158 -10.914 1.00 3.30 C ATOM 196 O LEU A 16 11.492 0.558 -9.771 1.00 11.02 O ATOM 197 CB LEU A 16 12.465 -1.498 -12.369 1.00 62.43 C ATOM 198 CG LEU A 16 13.870 -0.964 -12.024 1.00 25.11 C ATOM 199 CD1 LEU A 16 14.454 -1.705 -10.822 1.00 43.10 C ATOM 200 CD2 LEU A 16 14.801 -1.073 -13.231 1.00 0.10 C ATOM 0 H LEU A 16 10.160 -2.342 -12.632 1.00 3.53 H new ATOM 0 HA LEU A 16 11.710 -1.865 -10.381 1.00 1.23 H new ATOM 0 HB2 LEU A 16 12.547 -2.559 -12.605 1.00 62.43 H new ATOM 0 HB3 LEU A 16 12.117 -0.997 -13.272 1.00 62.43 H new ATOM 0 HG LEU A 16 13.776 0.089 -11.759 1.00 25.11 H new ATOM 0 HD11 LEU A 16 15.445 -1.311 -10.598 1.00 43.10 H new ATOM 0 HD12 LEU A 16 13.804 -1.566 -9.958 1.00 43.10 H new ATOM 0 HD13 LEU A 16 14.530 -2.768 -11.051 1.00 43.10 H new ATOM 0 HD21 LEU A 16 15.787 -0.691 -12.966 1.00 0.10 H new ATOM 0 HD22 LEU A 16 14.886 -2.117 -13.532 1.00 0.10 H new ATOM 0 HD23 LEU A 16 14.396 -0.489 -14.057 1.00 0.10 H new ATOM 212 N ALA A 17 10.846 0.960 -11.888 1.00 4.42 N ATOM 213 CA ALA A 17 10.744 2.403 -11.709 1.00 62.41 C ATOM 214 C ALA A 17 9.736 2.752 -10.618 1.00 51.32 C ATOM 215 O ALA A 17 10.049 3.485 -9.666 1.00 62.50 O ATOM 216 CB ALA A 17 10.354 3.069 -13.026 1.00 3.43 C ATOM 0 H ALA A 17 10.576 0.633 -12.816 1.00 4.42 H new ATOM 0 HA ALA A 17 11.719 2.777 -11.397 1.00 62.41 H new ATOM 0 HB1 ALA A 17 10.281 4.147 -12.881 1.00 3.43 H new ATOM 0 HB2 ALA A 17 11.111 2.855 -13.780 1.00 3.43 H new ATOM 0 HB3 ALA A 17 9.391 2.681 -13.359 1.00 3.43 H new ATOM 222 N ASP A 18 8.537 2.195 -10.745 1.00 41.25 N ATOM 223 CA ASP A 18 7.438 2.542 -9.856 1.00 43.31 C ATOM 224 C ASP A 18 7.670 2.032 -8.439 1.00 14.35 C ATOM 225 O ASP A 18 7.260 2.681 -7.479 1.00 0.42 O ATOM 226 CB ASP A 18 6.104 2.030 -10.413 1.00 22.24 C ATOM 227 CG ASP A 18 5.675 2.809 -11.649 1.00 22.24 C ATOM 228 OD1 ASP A 18 5.413 2.192 -12.705 1.00 71.30 O ATOM 229 OD2 ASP A 18 5.609 4.057 -11.572 1.00 24.14 O ATOM 0 H ASP A 18 8.303 1.501 -11.455 1.00 41.25 H new ATOM 0 HA ASP A 18 7.393 3.630 -9.803 1.00 43.31 H new ATOM 0 HB2 ASP A 18 6.195 0.973 -10.662 1.00 22.24 H new ATOM 0 HB3 ASP A 18 5.334 2.111 -9.646 1.00 22.24 H new ATOM 234 N VAL A 19 8.343 0.890 -8.292 1.00 2.24 N ATOM 235 CA VAL A 19 8.662 0.383 -6.957 1.00 42.52 C ATOM 236 C VAL A 19 9.755 1.245 -6.336 1.00 5.31 C ATOM 237 O VAL A 19 9.716 1.539 -5.148 1.00 32.24 O ATOM 238 CB VAL A 19 9.094 -1.113 -6.943 1.00 32.42 C ATOM 239 CG1 VAL A 19 10.541 -1.297 -7.408 1.00 61.00 C ATOM 240 CG2 VAL A 19 8.889 -1.721 -5.553 1.00 34.13 C ATOM 0 H VAL A 19 8.672 0.309 -9.063 1.00 2.24 H new ATOM 0 HA VAL A 19 7.745 0.441 -6.371 1.00 42.52 H new ATOM 0 HB VAL A 19 8.458 -1.642 -7.653 1.00 32.42 H new ATOM 0 HG11 VAL A 19 10.800 -2.356 -7.382 1.00 61.00 H new ATOM 0 HG12 VAL A 19 10.646 -0.922 -8.426 1.00 61.00 H new ATOM 0 HG13 VAL A 19 11.209 -0.744 -6.747 1.00 61.00 H new ATOM 0 HG21 VAL A 19 9.197 -2.767 -5.564 1.00 34.13 H new ATOM 0 HG22 VAL A 19 9.488 -1.174 -4.825 1.00 34.13 H new ATOM 0 HG23 VAL A 19 7.836 -1.656 -5.279 1.00 34.13 H new ATOM 250 N GLU A 20 10.718 1.672 -7.159 1.00 65.53 N ATOM 251 CA GLU A 20 11.773 2.572 -6.704 1.00 61.12 C ATOM 252 C GLU A 20 11.181 3.869 -6.167 1.00 31.00 C ATOM 253 O GLU A 20 11.637 4.391 -5.145 1.00 12.23 O ATOM 254 CB GLU A 20 12.768 2.869 -7.836 1.00 3.53 C ATOM 255 CG GLU A 20 13.754 1.737 -8.096 1.00 63.53 C ATOM 256 CD GLU A 20 14.598 1.418 -6.874 1.00 11.32 C ATOM 257 OE1 GLU A 20 14.572 0.262 -6.401 1.00 13.31 O ATOM 258 OE2 GLU A 20 15.284 2.331 -6.366 1.00 21.44 O ATOM 0 H GLU A 20 10.785 1.407 -8.142 1.00 65.53 H new ATOM 0 HA GLU A 20 12.311 2.075 -5.896 1.00 61.12 H new ATOM 0 HB2 GLU A 20 12.213 3.073 -8.752 1.00 3.53 H new ATOM 0 HB3 GLU A 20 13.324 3.774 -7.591 1.00 3.53 H new ATOM 0 HG2 GLU A 20 13.207 0.845 -8.401 1.00 63.53 H new ATOM 0 HG3 GLU A 20 14.407 2.010 -8.925 1.00 63.53 H new ATOM 265 N GLU A 21 10.172 4.391 -6.860 1.00 53.21 N ATOM 266 CA GLU A 21 9.471 5.588 -6.399 1.00 32.02 C ATOM 267 C GLU A 21 8.641 5.281 -5.146 1.00 61.30 C ATOM 268 O GLU A 21 8.788 5.935 -4.109 1.00 52.12 O ATOM 269 CB GLU A 21 8.549 6.116 -7.510 1.00 1.04 C ATOM 270 CG GLU A 21 9.268 6.496 -8.801 1.00 43.40 C ATOM 271 CD GLU A 21 10.192 7.692 -8.637 1.00 74.44 C ATOM 272 OE1 GLU A 21 9.684 8.833 -8.577 1.00 72.23 O ATOM 273 OE2 GLU A 21 11.427 7.499 -8.591 1.00 61.44 O ATOM 0 H GLU A 21 9.822 4.007 -7.738 1.00 53.21 H new ATOM 0 HA GLU A 21 10.213 6.346 -6.151 1.00 32.02 H new ATOM 0 HB2 GLU A 21 7.801 5.356 -7.736 1.00 1.04 H new ATOM 0 HB3 GLU A 21 8.014 6.989 -7.136 1.00 1.04 H new ATOM 0 HG2 GLU A 21 9.847 5.642 -9.153 1.00 43.40 H new ATOM 0 HG3 GLU A 21 8.528 6.718 -9.570 1.00 43.40 H new ATOM 280 N ALA A 22 7.820 4.235 -5.235 1.00 24.51 N ATOM 281 CA ALA A 22 6.879 3.885 -4.169 1.00 4.52 C ATOM 282 C ALA A 22 7.606 3.560 -2.871 1.00 4.05 C ATOM 283 O ALA A 22 7.127 3.874 -1.787 1.00 61.42 O ATOM 284 CB ALA A 22 6.010 2.707 -4.598 1.00 2.30 C ATOM 0 H ALA A 22 7.787 3.610 -6.041 1.00 24.51 H new ATOM 0 HA ALA A 22 6.241 4.750 -3.987 1.00 4.52 H new ATOM 0 HB1 ALA A 22 5.315 2.457 -3.797 1.00 2.30 H new ATOM 0 HB2 ALA A 22 5.450 2.975 -5.494 1.00 2.30 H new ATOM 0 HB3 ALA A 22 6.644 1.846 -4.811 1.00 2.30 H new ATOM 290 N MET A 23 8.778 2.955 -2.992 1.00 1.13 N ATOM 291 CA MET A 23 9.572 2.560 -1.832 1.00 32.24 C ATOM 292 C MET A 23 9.974 3.759 -0.975 1.00 52.10 C ATOM 293 O MET A 23 10.451 3.576 0.138 1.00 43.10 O ATOM 294 CB MET A 23 10.821 1.777 -2.259 1.00 51.43 C ATOM 295 CG MET A 23 10.558 0.304 -2.573 1.00 23.41 C ATOM 296 SD MET A 23 10.105 -0.648 -1.106 1.00 4.33 S ATOM 297 CE MET A 23 9.838 -2.274 -1.819 1.00 74.23 C ATOM 0 H MET A 23 9.206 2.724 -3.889 1.00 1.13 H new ATOM 0 HA MET A 23 8.939 1.913 -1.225 1.00 32.24 H new ATOM 0 HB2 MET A 23 11.252 2.254 -3.139 1.00 51.43 H new ATOM 0 HB3 MET A 23 11.565 1.841 -1.465 1.00 51.43 H new ATOM 0 HG2 MET A 23 9.759 0.230 -3.311 1.00 23.41 H new ATOM 0 HG3 MET A 23 11.449 -0.132 -3.024 1.00 23.41 H new ATOM 0 HE1 MET A 23 9.551 -2.973 -1.033 1.00 74.23 H new ATOM 0 HE2 MET A 23 9.044 -2.219 -2.563 1.00 74.23 H new ATOM 0 HE3 MET A 23 10.757 -2.618 -2.294 1.00 74.23 H new ATOM 307 N ARG A 24 9.813 4.977 -1.496 1.00 40.23 N ATOM 308 CA ARG A 24 10.177 6.189 -0.751 1.00 25.14 C ATOM 309 C ARG A 24 8.992 6.724 0.067 1.00 20.12 C ATOM 310 O ARG A 24 9.184 7.495 1.008 1.00 5.25 O ATOM 311 CB ARG A 24 10.680 7.265 -1.726 1.00 4.33 C ATOM 312 CG ARG A 24 11.028 8.594 -1.061 1.00 72.15 C ATOM 313 CD ARG A 24 11.559 9.609 -2.064 1.00 62.21 C ATOM 314 NE ARG A 24 11.713 10.937 -1.465 1.00 13.33 N ATOM 315 CZ ARG A 24 12.470 11.909 -1.974 1.00 61.24 C ATOM 316 NH1 ARG A 24 13.188 11.703 -3.073 1.00 63.11 N ATOM 317 NH2 ARG A 24 12.509 13.087 -1.372 1.00 54.23 N ATOM 0 H ARG A 24 9.435 5.153 -2.427 1.00 40.23 H new ATOM 0 HA ARG A 24 10.972 5.933 -0.051 1.00 25.14 H new ATOM 0 HB2 ARG A 24 11.562 6.888 -2.243 1.00 4.33 H new ATOM 0 HB3 ARG A 24 9.916 7.439 -2.484 1.00 4.33 H new ATOM 0 HG2 ARG A 24 10.142 8.998 -0.571 1.00 72.15 H new ATOM 0 HG3 ARG A 24 11.774 8.427 -0.284 1.00 72.15 H new ATOM 0 HD2 ARG A 24 12.521 9.270 -2.449 1.00 62.21 H new ATOM 0 HD3 ARG A 24 10.879 9.670 -2.914 1.00 62.21 H new ATOM 0 HE ARG A 24 11.207 11.131 -0.601 1.00 13.33 H new ATOM 0 HH11 ARG A 24 13.163 10.794 -3.535 1.00 63.11 H new ATOM 0 HH12 ARG A 24 13.764 12.454 -3.454 1.00 63.11 H new ATOM 0 HH21 ARG A 24 11.963 13.245 -0.525 1.00 54.23 H new ATOM 0 HH22 ARG A 24 13.086 13.836 -1.755 1.00 54.23 H new ATOM 331 N ASP A 25 7.777 6.286 -0.267 1.00 53.24 N ATOM 332 CA ASP A 25 6.559 6.843 0.343 1.00 12.31 C ATOM 333 C ASP A 25 5.786 5.756 1.076 1.00 74.45 C ATOM 334 O ASP A 25 5.028 6.023 2.007 1.00 61.31 O ATOM 335 CB ASP A 25 5.674 7.492 -0.732 1.00 41.14 C ATOM 336 CG ASP A 25 6.341 8.692 -1.393 1.00 23.33 C ATOM 337 OD1 ASP A 25 7.046 8.504 -2.405 1.00 32.43 O ATOM 338 OD2 ASP A 25 6.176 9.828 -0.893 1.00 54.54 O ATOM 0 H ASP A 25 7.606 5.551 -0.953 1.00 53.24 H new ATOM 0 HA ASP A 25 6.851 7.607 1.064 1.00 12.31 H new ATOM 0 HB2 ASP A 25 5.431 6.751 -1.493 1.00 41.14 H new ATOM 0 HB3 ASP A 25 4.733 7.807 -0.281 1.00 41.14 H new ATOM 343 N VAL A 26 5.983 4.528 0.627 1.00 43.44 N ATOM 344 CA VAL A 26 5.407 3.356 1.259 1.00 13.43 C ATOM 345 C VAL A 26 6.207 2.995 2.514 1.00 50.43 C ATOM 346 O VAL A 26 5.707 2.345 3.436 1.00 60.21 O ATOM 347 CB VAL A 26 5.390 2.176 0.256 1.00 11.24 C ATOM 348 CG1 VAL A 26 5.059 0.868 0.947 1.00 11.50 C ATOM 349 CG2 VAL A 26 4.405 2.461 -0.881 1.00 0.25 C ATOM 0 H VAL A 26 6.552 4.316 -0.193 1.00 43.44 H new ATOM 0 HA VAL A 26 4.381 3.570 1.557 1.00 13.43 H new ATOM 0 HB VAL A 26 6.389 2.076 -0.168 1.00 11.24 H new ATOM 0 HG11 VAL A 26 5.055 0.060 0.215 1.00 11.50 H new ATOM 0 HG12 VAL A 26 5.808 0.661 1.712 1.00 11.50 H new ATOM 0 HG13 VAL A 26 4.076 0.941 1.412 1.00 11.50 H new ATOM 0 HG21 VAL A 26 4.403 1.624 -1.579 1.00 0.25 H new ATOM 0 HG22 VAL A 26 3.404 2.594 -0.470 1.00 0.25 H new ATOM 0 HG23 VAL A 26 4.706 3.369 -1.404 1.00 0.25 H new ATOM 359 N VAL A 27 7.458 3.437 2.538 1.00 51.13 N ATOM 360 CA VAL A 27 8.318 3.281 3.702 1.00 1.44 C ATOM 361 C VAL A 27 8.136 4.483 4.620 1.00 72.43 C ATOM 362 O VAL A 27 7.659 5.531 4.182 1.00 70.53 O ATOM 363 CB VAL A 27 9.815 3.194 3.288 1.00 54.31 C ATOM 364 CG1 VAL A 27 10.333 4.552 2.815 1.00 4.11 C ATOM 365 CG2 VAL A 27 10.685 2.661 4.425 1.00 14.42 C ATOM 0 H VAL A 27 7.903 3.912 1.753 1.00 51.13 H new ATOM 0 HA VAL A 27 8.041 2.358 4.211 1.00 1.44 H new ATOM 0 HB VAL A 27 9.879 2.489 2.459 1.00 54.31 H new ATOM 0 HG11 VAL A 27 11.382 4.463 2.532 1.00 4.11 H new ATOM 0 HG12 VAL A 27 9.752 4.884 1.955 1.00 4.11 H new ATOM 0 HG13 VAL A 27 10.236 5.279 3.621 1.00 4.11 H new ATOM 0 HG21 VAL A 27 11.724 2.615 4.097 1.00 14.42 H new ATOM 0 HG22 VAL A 27 10.605 3.325 5.286 1.00 14.42 H new ATOM 0 HG23 VAL A 27 10.348 1.663 4.704 1.00 14.42 H new ATOM 375 N ASP A 28 8.503 4.337 5.882 1.00 21.21 N ATOM 376 CA ASP A 28 8.609 5.486 6.768 1.00 42.03 C ATOM 377 C ASP A 28 10.082 5.859 6.904 1.00 40.25 C ATOM 378 O ASP A 28 10.809 5.270 7.708 1.00 60.52 O ATOM 379 CB ASP A 28 8.000 5.205 8.146 1.00 12.40 C ATOM 380 CG ASP A 28 8.085 6.424 9.058 1.00 73.23 C ATOM 381 OD1 ASP A 28 9.100 6.571 9.767 1.00 1.14 O ATOM 382 OD2 ASP A 28 7.151 7.254 9.040 1.00 21.32 O ATOM 0 H ASP A 28 8.731 3.442 6.315 1.00 21.21 H new ATOM 0 HA ASP A 28 8.046 6.314 6.337 1.00 42.03 H new ATOM 0 HB2 ASP A 28 6.957 4.909 8.030 1.00 12.40 H new ATOM 0 HB3 ASP A 28 8.520 4.366 8.610 1.00 12.40 H new ATOM 387 N PRO A 29 10.559 6.813 6.083 1.00 1.21 N ATOM 388 CA PRO A 29 11.964 7.197 6.071 1.00 34.31 C ATOM 389 C PRO A 29 12.299 8.179 7.195 1.00 4.34 C ATOM 390 O PRO A 29 13.460 8.549 7.383 1.00 63.35 O ATOM 391 CB PRO A 29 12.135 7.828 4.681 1.00 2.52 C ATOM 392 CG PRO A 29 10.795 8.394 4.339 1.00 20.13 C ATOM 393 CD PRO A 29 9.764 7.597 5.113 1.00 12.33 C ATOM 0 HA PRO A 29 12.638 6.358 6.243 1.00 34.31 H new ATOM 0 HB2 PRO A 29 12.899 8.605 4.693 1.00 2.52 H new ATOM 0 HB3 PRO A 29 12.447 7.085 3.947 1.00 2.52 H new ATOM 0 HG2 PRO A 29 10.744 9.450 4.604 1.00 20.13 H new ATOM 0 HG3 PRO A 29 10.610 8.325 3.267 1.00 20.13 H new ATOM 0 HD2 PRO A 29 9.053 8.251 5.618 1.00 12.33 H new ATOM 0 HD3 PRO A 29 9.187 6.947 4.454 1.00 12.33 H new ATOM 401 N GLU A 30 11.276 8.588 7.943 1.00 3.02 N ATOM 402 CA GLU A 30 11.464 9.466 9.094 1.00 5.45 C ATOM 403 C GLU A 30 12.194 8.717 10.203 1.00 74.34 C ATOM 404 O GLU A 30 13.264 9.132 10.656 1.00 0.14 O ATOM 405 CB GLU A 30 10.110 9.978 9.604 1.00 34.22 C ATOM 406 CG GLU A 30 10.219 10.931 10.790 1.00 42.20 C ATOM 407 CD GLU A 30 8.867 11.431 11.266 1.00 12.12 C ATOM 408 OE1 GLU A 30 8.342 12.394 10.666 1.00 44.23 O ATOM 409 OE2 GLU A 30 8.325 10.872 12.243 1.00 52.41 O ATOM 0 H GLU A 30 10.306 8.324 7.771 1.00 3.02 H new ATOM 0 HA GLU A 30 12.064 10.323 8.788 1.00 5.45 H new ATOM 0 HB2 GLU A 30 9.593 10.485 8.789 1.00 34.22 H new ATOM 0 HB3 GLU A 30 9.494 9.125 9.890 1.00 34.22 H new ATOM 0 HG2 GLU A 30 10.725 10.425 11.612 1.00 42.20 H new ATOM 0 HG3 GLU A 30 10.839 11.783 10.511 1.00 42.20 H new ATOM 416 N LEU A 31 11.607 7.604 10.630 1.00 52.21 N ATOM 417 CA LEU A 31 12.207 6.749 11.644 1.00 44.13 C ATOM 418 C LEU A 31 13.035 5.655 10.976 1.00 62.30 C ATOM 419 O LEU A 31 13.888 5.034 11.613 1.00 24.34 O ATOM 420 CB LEU A 31 11.120 6.121 12.526 1.00 0.22 C ATOM 421 CG LEU A 31 10.096 7.104 13.117 1.00 24.15 C ATOM 422 CD1 LEU A 31 9.091 6.369 14.000 1.00 44.01 C ATOM 423 CD2 LEU A 31 10.796 8.214 13.896 1.00 41.10 C ATOM 0 H LEU A 31 10.707 7.272 10.284 1.00 52.21 H new ATOM 0 HA LEU A 31 12.858 7.356 12.274 1.00 44.13 H new ATOM 0 HB2 LEU A 31 10.584 5.376 11.937 1.00 0.22 H new ATOM 0 HB3 LEU A 31 11.604 5.591 13.346 1.00 0.22 H new ATOM 0 HG LEU A 31 9.551 7.564 12.293 1.00 24.15 H new ATOM 0 HD11 LEU A 31 8.375 7.083 14.408 1.00 44.01 H new ATOM 0 HD12 LEU A 31 8.562 5.624 13.406 1.00 44.01 H new ATOM 0 HD13 LEU A 31 9.617 5.875 14.817 1.00 44.01 H new ATOM 0 HD21 LEU A 31 10.051 8.897 14.305 1.00 41.10 H new ATOM 0 HD22 LEU A 31 11.374 7.778 14.711 1.00 41.10 H new ATOM 0 HD23 LEU A 31 11.463 8.761 13.230 1.00 41.10 H new ATOM 435 N GLY A 32 12.767 5.423 9.692 1.00 1.01 N ATOM 436 CA GLY A 32 13.568 4.503 8.902 1.00 12.32 C ATOM 437 C GLY A 32 13.127 3.056 9.027 1.00 5.33 C ATOM 438 O GLY A 32 13.953 2.176 9.288 1.00 25.20 O ATOM 0 H GLY A 32 12.001 5.861 9.181 1.00 1.01 H new ATOM 0 HA2 GLY A 32 13.521 4.800 7.854 1.00 12.32 H new ATOM 0 HA3 GLY A 32 14.610 4.585 9.210 1.00 12.32 H new ATOM 442 N ILE A 33 11.832 2.796 8.823 1.00 33.21 N ATOM 443 CA ILE A 33 11.301 1.428 8.863 1.00 44.11 C ATOM 444 C ILE A 33 10.343 1.193 7.695 1.00 13.42 C ATOM 445 O ILE A 33 9.605 2.096 7.292 1.00 43.23 O ATOM 446 CB ILE A 33 10.575 1.081 10.199 1.00 65.32 C ATOM 447 CG1 ILE A 33 9.323 1.958 10.427 1.00 32.10 C ATOM 448 CG2 ILE A 33 11.538 1.193 11.386 1.00 5.33 C ATOM 449 CD1 ILE A 33 9.615 3.385 10.840 1.00 24.45 C ATOM 0 H ILE A 33 11.132 3.512 8.629 1.00 33.21 H new ATOM 0 HA ILE A 33 12.166 0.770 8.786 1.00 44.11 H new ATOM 0 HB ILE A 33 10.235 0.048 10.121 1.00 65.32 H new ATOM 0 HG12 ILE A 33 8.735 1.973 9.509 1.00 32.10 H new ATOM 0 HG13 ILE A 33 8.705 1.492 11.194 1.00 32.10 H new ATOM 0 HG21 ILE A 33 11.010 0.947 12.307 1.00 5.33 H new ATOM 0 HG22 ILE A 33 12.368 0.501 11.247 1.00 5.33 H new ATOM 0 HG23 ILE A 33 11.921 2.211 11.449 1.00 5.33 H new ATOM 0 HD11 ILE A 33 8.677 3.923 10.977 1.00 24.45 H new ATOM 0 HD12 ILE A 33 10.174 3.386 11.776 1.00 24.45 H new ATOM 0 HD13 ILE A 33 10.205 3.875 10.065 1.00 24.45 H new ATOM 461 N ASN A 34 10.364 -0.020 7.150 1.00 23.01 N ATOM 462 CA ASN A 34 9.529 -0.374 6.000 1.00 34.22 C ATOM 463 C ASN A 34 8.409 -1.324 6.420 1.00 74.52 C ATOM 464 O ASN A 34 8.643 -2.287 7.148 1.00 35.13 O ATOM 465 CB ASN A 34 10.383 -1.016 4.891 1.00 75.01 C ATOM 466 CG ASN A 34 10.962 -2.368 5.287 1.00 44.11 C ATOM 467 OD1 ASN A 34 10.343 -3.404 5.061 1.00 43.41 O ATOM 468 ND2 ASN A 34 12.152 -2.369 5.872 1.00 5.04 N ATOM 0 H ASN A 34 10.954 -0.781 7.487 1.00 23.01 H new ATOM 0 HA ASN A 34 9.080 0.540 5.610 1.00 34.22 H new ATOM 0 HB2 ASN A 34 9.773 -1.137 3.996 1.00 75.01 H new ATOM 0 HB3 ASN A 34 11.198 -0.340 4.632 1.00 75.01 H new ATOM 0 HD21 ASN A 34 12.583 -3.251 6.150 1.00 5.04 H new ATOM 0 HD22 ASN A 34 12.637 -1.488 6.044 1.00 5.04 H new ATOM 475 N VAL A 35 7.194 -1.049 5.950 1.00 42.31 N ATOM 476 CA VAL A 35 6.029 -1.877 6.274 1.00 74.42 C ATOM 477 C VAL A 35 6.224 -3.317 5.791 1.00 21.40 C ATOM 478 O VAL A 35 5.649 -4.258 6.347 1.00 41.14 O ATOM 479 CB VAL A 35 4.732 -1.294 5.658 1.00 72.14 C ATOM 480 CG1 VAL A 35 4.453 0.102 6.218 1.00 15.41 C ATOM 481 CG2 VAL A 35 4.819 -1.261 4.129 1.00 14.12 C ATOM 0 H VAL A 35 6.988 -0.257 5.341 1.00 42.31 H new ATOM 0 HA VAL A 35 5.930 -1.878 7.359 1.00 74.42 H new ATOM 0 HB VAL A 35 3.902 -1.945 5.932 1.00 72.14 H new ATOM 0 HG11 VAL A 35 3.539 0.496 5.774 1.00 15.41 H new ATOM 0 HG12 VAL A 35 4.335 0.043 7.300 1.00 15.41 H new ATOM 0 HG13 VAL A 35 5.286 0.763 5.979 1.00 15.41 H new ATOM 0 HG21 VAL A 35 3.897 -0.848 3.721 1.00 14.12 H new ATOM 0 HG22 VAL A 35 5.661 -0.638 3.826 1.00 14.12 H new ATOM 0 HG23 VAL A 35 4.962 -2.273 3.751 1.00 14.12 H new ATOM 491 N VAL A 36 7.056 -3.479 4.764 1.00 21.05 N ATOM 492 CA VAL A 36 7.365 -4.797 4.207 1.00 22.15 C ATOM 493 C VAL A 36 7.992 -5.694 5.278 1.00 62.12 C ATOM 494 O VAL A 36 7.895 -6.922 5.209 1.00 20.12 O ATOM 495 CB VAL A 36 8.321 -4.685 2.988 1.00 11.34 C ATOM 496 CG1 VAL A 36 8.575 -6.053 2.353 1.00 0.04 C ATOM 497 CG2 VAL A 36 7.767 -3.699 1.959 1.00 54.21 C ATOM 0 H VAL A 36 7.532 -2.708 4.297 1.00 21.05 H new ATOM 0 HA VAL A 36 6.429 -5.242 3.868 1.00 22.15 H new ATOM 0 HB VAL A 36 9.278 -4.306 3.346 1.00 11.34 H new ATOM 0 HG11 VAL A 36 9.248 -5.940 1.503 1.00 0.04 H new ATOM 0 HG12 VAL A 36 9.028 -6.717 3.089 1.00 0.04 H new ATOM 0 HG13 VAL A 36 7.630 -6.478 2.014 1.00 0.04 H new ATOM 0 HG21 VAL A 36 8.451 -3.634 1.112 1.00 54.21 H new ATOM 0 HG22 VAL A 36 6.793 -4.043 1.613 1.00 54.21 H new ATOM 0 HG23 VAL A 36 7.662 -2.715 2.417 1.00 54.21 H new ATOM 507 N ASP A 37 8.612 -5.065 6.278 1.00 24.14 N ATOM 508 CA ASP A 37 9.206 -5.785 7.404 1.00 12.45 C ATOM 509 C ASP A 37 8.156 -6.635 8.113 1.00 31.45 C ATOM 510 O ASP A 37 8.453 -7.725 8.605 1.00 65.43 O ATOM 511 CB ASP A 37 9.831 -4.795 8.397 1.00 53.13 C ATOM 512 CG ASP A 37 10.469 -5.477 9.598 1.00 10.41 C ATOM 513 OD1 ASP A 37 11.635 -5.911 9.490 1.00 65.32 O ATOM 514 OD2 ASP A 37 9.814 -5.572 10.660 1.00 73.30 O ATOM 0 H ASP A 37 8.716 -4.052 6.330 1.00 24.14 H new ATOM 0 HA ASP A 37 9.985 -6.442 7.017 1.00 12.45 H new ATOM 0 HB2 ASP A 37 10.585 -4.200 7.882 1.00 53.13 H new ATOM 0 HB3 ASP A 37 9.063 -4.104 8.745 1.00 53.13 H new ATOM 519 N LEU A 38 6.917 -6.142 8.143 1.00 51.15 N ATOM 520 CA LEU A 38 5.822 -6.853 8.809 1.00 73.22 C ATOM 521 C LEU A 38 5.420 -8.086 7.999 1.00 43.30 C ATOM 522 O LEU A 38 4.736 -8.980 8.502 1.00 64.23 O ATOM 523 CB LEU A 38 4.609 -5.926 9.013 1.00 72.14 C ATOM 524 CG LEU A 38 4.779 -4.814 10.071 1.00 72.15 C ATOM 525 CD1 LEU A 38 5.143 -5.408 11.431 1.00 3.40 C ATOM 526 CD2 LEU A 38 5.818 -3.780 9.633 1.00 74.43 C ATOM 0 H LEU A 38 6.646 -5.256 7.716 1.00 51.15 H new ATOM 0 HA LEU A 38 6.171 -7.176 9.790 1.00 73.22 H new ATOM 0 HB2 LEU A 38 4.369 -5.458 8.058 1.00 72.14 H new ATOM 0 HB3 LEU A 38 3.752 -6.538 9.292 1.00 72.14 H new ATOM 0 HG LEU A 38 3.822 -4.301 10.167 1.00 72.15 H new ATOM 0 HD11 LEU A 38 5.257 -4.605 12.160 1.00 3.40 H new ATOM 0 HD12 LEU A 38 4.352 -6.084 11.756 1.00 3.40 H new ATOM 0 HD13 LEU A 38 6.080 -5.959 11.348 1.00 3.40 H new ATOM 0 HD21 LEU A 38 5.913 -3.012 10.400 1.00 74.43 H new ATOM 0 HD22 LEU A 38 6.781 -4.270 9.489 1.00 74.43 H new ATOM 0 HD23 LEU A 38 5.502 -3.320 8.697 1.00 74.43 H new ATOM 538 N GLY A 39 5.845 -8.106 6.737 1.00 44.25 N ATOM 539 CA GLY A 39 5.602 -9.234 5.848 1.00 2.55 C ATOM 540 C GLY A 39 4.141 -9.627 5.744 1.00 44.25 C ATOM 541 O GLY A 39 3.825 -10.758 5.374 1.00 62.14 O ATOM 0 H GLY A 39 6.366 -7.342 6.306 1.00 44.25 H new ATOM 0 HA2 GLY A 39 5.974 -8.988 4.854 1.00 2.55 H new ATOM 0 HA3 GLY A 39 6.175 -10.092 6.199 1.00 2.55 H new ATOM 545 N LEU A 40 3.245 -8.693 6.042 1.00 51.33 N ATOM 546 CA LEU A 40 1.812 -8.943 5.901 1.00 61.24 C ATOM 547 C LEU A 40 1.354 -8.589 4.494 1.00 72.11 C ATOM 548 O LEU A 40 0.320 -9.065 4.030 1.00 11.13 O ATOM 549 CB LEU A 40 0.996 -8.164 6.950 1.00 62.30 C ATOM 550 CG LEU A 40 0.321 -9.035 8.025 1.00 43.31 C ATOM 551 CD1 LEU A 40 -0.592 -8.192 8.911 1.00 10.23 C ATOM 552 CD2 LEU A 40 -0.459 -10.180 7.379 1.00 32.23 C ATOM 0 H LEU A 40 3.482 -7.760 6.381 1.00 51.33 H new ATOM 0 HA LEU A 40 1.637 -10.005 6.073 1.00 61.24 H new ATOM 0 HB2 LEU A 40 1.655 -7.449 7.443 1.00 62.30 H new ATOM 0 HB3 LEU A 40 0.227 -7.587 6.436 1.00 62.30 H new ATOM 0 HG LEU A 40 1.101 -9.465 8.654 1.00 43.31 H new ATOM 0 HD11 LEU A 40 -1.058 -8.829 9.663 1.00 10.23 H new ATOM 0 HD12 LEU A 40 -0.006 -7.417 9.404 1.00 10.23 H new ATOM 0 HD13 LEU A 40 -1.365 -7.728 8.299 1.00 10.23 H new ATOM 0 HD21 LEU A 40 -0.929 -10.784 8.155 1.00 32.23 H new ATOM 0 HD22 LEU A 40 -1.227 -9.772 6.722 1.00 32.23 H new ATOM 0 HD23 LEU A 40 0.222 -10.802 6.798 1.00 32.23 H new ATOM 564 N VAL A 41 2.161 -7.782 3.806 1.00 52.41 N ATOM 565 CA VAL A 41 1.862 -7.376 2.438 1.00 2.11 C ATOM 566 C VAL A 41 1.858 -8.593 1.505 1.00 55.32 C ATOM 567 O VAL A 41 1.469 -8.505 0.340 1.00 54.22 O ATOM 568 CB VAL A 41 2.879 -6.314 1.938 1.00 54.25 C ATOM 569 CG1 VAL A 41 4.290 -6.902 1.860 1.00 31.44 C ATOM 570 CG2 VAL A 41 2.448 -5.717 0.595 1.00 3.13 C ATOM 0 H VAL A 41 3.029 -7.397 4.177 1.00 52.41 H new ATOM 0 HA VAL A 41 0.869 -6.926 2.429 1.00 2.11 H new ATOM 0 HB VAL A 41 2.896 -5.501 2.664 1.00 54.25 H new ATOM 0 HG11 VAL A 41 4.983 -6.138 1.507 1.00 31.44 H new ATOM 0 HG12 VAL A 41 4.597 -7.243 2.849 1.00 31.44 H new ATOM 0 HG13 VAL A 41 4.295 -7.744 1.168 1.00 31.44 H new ATOM 0 HG21 VAL A 41 3.181 -4.977 0.273 1.00 3.13 H new ATOM 0 HG22 VAL A 41 2.381 -6.509 -0.151 1.00 3.13 H new ATOM 0 HG23 VAL A 41 1.475 -5.239 0.705 1.00 3.13 H new ATOM 580 N TYR A 42 2.311 -9.729 2.039 1.00 33.02 N ATOM 581 CA TYR A 42 2.232 -11.008 1.342 1.00 23.25 C ATOM 582 C TYR A 42 0.780 -11.294 0.953 1.00 1.43 C ATOM 583 O TYR A 42 0.510 -11.928 -0.072 1.00 3.10 O ATOM 584 CB TYR A 42 2.782 -12.124 2.245 1.00 70.32 C ATOM 585 CG TYR A 42 2.745 -13.510 1.622 1.00 41.31 C ATOM 586 CD1 TYR A 42 3.722 -13.918 0.722 1.00 63.32 C ATOM 587 CD2 TYR A 42 1.739 -14.415 1.948 1.00 11.43 C ATOM 588 CE1 TYR A 42 3.694 -15.182 0.161 1.00 71.01 C ATOM 589 CE2 TYR A 42 1.704 -15.680 1.389 1.00 61.32 C ATOM 590 CZ TYR A 42 2.686 -16.059 0.499 1.00 32.23 C ATOM 591 OH TYR A 42 2.664 -17.323 -0.054 1.00 24.25 O ATOM 0 H TYR A 42 2.740 -9.785 2.962 1.00 33.02 H new ATOM 0 HA TYR A 42 2.833 -10.968 0.434 1.00 23.25 H new ATOM 0 HB2 TYR A 42 3.812 -11.886 2.511 1.00 70.32 H new ATOM 0 HB3 TYR A 42 2.209 -12.140 3.172 1.00 70.32 H new ATOM 0 HD1 TYR A 42 4.517 -13.237 0.456 1.00 63.32 H new ATOM 0 HD2 TYR A 42 0.972 -14.124 2.650 1.00 11.43 H new ATOM 0 HE1 TYR A 42 4.460 -15.481 -0.540 1.00 71.01 H new ATOM 0 HE2 TYR A 42 0.912 -16.367 1.648 1.00 61.32 H new ATOM 0 HH TYR A 42 1.890 -17.816 0.288 1.00 24.25 H new ATOM 601 N GLY A 43 -0.143 -10.804 1.779 1.00 1.32 N ATOM 602 CA GLY A 43 -1.559 -10.936 1.502 1.00 72.32 C ATOM 603 C GLY A 43 -2.010 -9.966 0.427 1.00 12.15 C ATOM 604 O GLY A 43 -2.628 -8.936 0.717 1.00 20.21 O ATOM 0 H GLY A 43 0.073 -10.312 2.646 1.00 1.32 H new ATOM 0 HA2 GLY A 43 -1.775 -11.957 1.186 1.00 72.32 H new ATOM 0 HA3 GLY A 43 -2.127 -10.758 2.415 1.00 72.32 H new ATOM 608 N LEU A 44 -1.672 -10.290 -0.816 1.00 33.24 N ATOM 609 CA LEU A 44 -2.040 -9.479 -1.971 1.00 0.34 C ATOM 610 C LEU A 44 -2.893 -10.300 -2.933 1.00 33.31 C ATOM 611 O LEU A 44 -2.501 -11.399 -3.333 1.00 1.21 O ATOM 612 CB LEU A 44 -0.775 -8.969 -2.681 1.00 0.31 C ATOM 613 CG LEU A 44 -1.004 -8.223 -4.010 1.00 75.22 C ATOM 614 CD1 LEU A 44 -1.888 -6.995 -3.807 1.00 1.22 C ATOM 615 CD2 LEU A 44 0.330 -7.830 -4.643 1.00 42.14 C ATOM 0 H LEU A 44 -1.134 -11.124 -1.052 1.00 33.24 H new ATOM 0 HA LEU A 44 -2.621 -8.621 -1.633 1.00 0.34 H new ATOM 0 HB2 LEU A 44 -0.243 -8.304 -2.001 1.00 0.31 H new ATOM 0 HB3 LEU A 44 -0.121 -9.820 -2.872 1.00 0.31 H new ATOM 0 HG LEU A 44 -1.522 -8.899 -4.690 1.00 75.22 H new ATOM 0 HD11 LEU A 44 -2.032 -6.489 -4.761 1.00 1.22 H new ATOM 0 HD12 LEU A 44 -2.855 -7.304 -3.411 1.00 1.22 H new ATOM 0 HD13 LEU A 44 -1.409 -6.314 -3.104 1.00 1.22 H new ATOM 0 HD21 LEU A 44 0.147 -7.304 -5.580 1.00 42.14 H new ATOM 0 HD22 LEU A 44 0.878 -7.178 -3.962 1.00 42.14 H new ATOM 0 HD23 LEU A 44 0.918 -8.727 -4.839 1.00 42.14 H new ATOM 627 N ASP A 45 -4.063 -9.775 -3.284 1.00 73.43 N ATOM 628 CA ASP A 45 -4.964 -10.438 -4.225 1.00 44.02 C ATOM 629 C ASP A 45 -5.786 -9.392 -4.964 1.00 4.24 C ATOM 630 O ASP A 45 -6.562 -8.665 -4.354 1.00 65.41 O ATOM 631 CB ASP A 45 -5.890 -11.418 -3.486 1.00 3.14 C ATOM 632 CG ASP A 45 -6.834 -12.164 -4.419 1.00 43.51 C ATOM 633 OD1 ASP A 45 -6.351 -12.993 -5.222 1.00 31.12 O ATOM 634 OD2 ASP A 45 -8.060 -11.951 -4.338 1.00 3.14 O ATOM 0 H ASP A 45 -4.413 -8.885 -2.928 1.00 73.43 H new ATOM 0 HA ASP A 45 -4.372 -11.005 -4.944 1.00 44.02 H new ATOM 0 HB2 ASP A 45 -5.283 -12.140 -2.939 1.00 3.14 H new ATOM 0 HB3 ASP A 45 -6.476 -10.870 -2.748 1.00 3.14 H new ATOM 639 N VAL A 46 -5.594 -9.292 -6.269 1.00 44.11 N ATOM 640 CA VAL A 46 -6.304 -8.297 -7.059 1.00 53.23 C ATOM 641 C VAL A 46 -7.562 -8.910 -7.671 1.00 22.34 C ATOM 642 O VAL A 46 -7.540 -10.044 -8.162 1.00 20.13 O ATOM 643 CB VAL A 46 -5.405 -7.685 -8.166 1.00 13.04 C ATOM 644 CG1 VAL A 46 -4.067 -7.228 -7.589 1.00 54.52 C ATOM 645 CG2 VAL A 46 -5.184 -8.657 -9.315 1.00 43.24 C ATOM 0 H VAL A 46 -4.957 -9.883 -6.802 1.00 44.11 H new ATOM 0 HA VAL A 46 -6.590 -7.486 -6.389 1.00 53.23 H new ATOM 0 HB VAL A 46 -5.929 -6.816 -8.564 1.00 13.04 H new ATOM 0 HG11 VAL A 46 -3.454 -6.803 -8.384 1.00 54.52 H new ATOM 0 HG12 VAL A 46 -4.240 -6.474 -6.821 1.00 54.52 H new ATOM 0 HG13 VAL A 46 -3.550 -8.081 -7.149 1.00 54.52 H new ATOM 0 HG21 VAL A 46 -4.550 -8.191 -10.069 1.00 43.24 H new ATOM 0 HG22 VAL A 46 -4.700 -9.559 -8.941 1.00 43.24 H new ATOM 0 HG23 VAL A 46 -6.144 -8.919 -9.760 1.00 43.24 H new ATOM 655 N GLN A 47 -8.664 -8.173 -7.612 1.00 72.20 N ATOM 656 CA GLN A 47 -9.940 -8.639 -8.141 1.00 42.35 C ATOM 657 C GLN A 47 -10.549 -7.562 -9.032 1.00 20.44 C ATOM 658 O GLN A 47 -10.320 -6.370 -8.825 1.00 54.34 O ATOM 659 CB GLN A 47 -10.897 -8.994 -6.991 1.00 41.43 C ATOM 660 CG GLN A 47 -10.274 -9.905 -5.936 1.00 71.24 C ATOM 661 CD GLN A 47 -11.266 -10.397 -4.901 1.00 43.34 C ATOM 662 OE1 GLN A 47 -12.271 -9.744 -4.616 1.00 61.04 O ATOM 663 NE2 GLN A 47 -10.970 -11.539 -4.308 1.00 25.40 N ATOM 0 H GLN A 47 -8.699 -7.241 -7.199 1.00 72.20 H new ATOM 0 HA GLN A 47 -9.774 -9.537 -8.736 1.00 42.35 H new ATOM 0 HB2 GLN A 47 -11.233 -8.074 -6.512 1.00 41.43 H new ATOM 0 HB3 GLN A 47 -11.781 -9.480 -7.403 1.00 41.43 H new ATOM 0 HG2 GLN A 47 -9.821 -10.764 -6.431 1.00 71.24 H new ATOM 0 HG3 GLN A 47 -9.471 -9.368 -5.432 1.00 71.24 H new ATOM 0 HE21 GLN A 47 -10.127 -12.048 -4.574 1.00 25.40 H new ATOM 0 HE22 GLN A 47 -11.584 -11.912 -3.584 1.00 25.40 H new ATOM 672 N ASP A 48 -11.317 -7.983 -10.025 1.00 2.00 N ATOM 673 CA ASP A 48 -11.892 -7.062 -10.997 1.00 21.42 C ATOM 674 C ASP A 48 -13.282 -6.603 -10.557 1.00 1.44 C ATOM 675 O ASP A 48 -14.196 -7.413 -10.419 1.00 44.14 O ATOM 676 CB ASP A 48 -11.950 -7.728 -12.376 1.00 72.25 C ATOM 677 CG ASP A 48 -12.573 -6.835 -13.430 1.00 42.10 C ATOM 678 OD1 ASP A 48 -13.637 -7.200 -13.974 1.00 60.44 O ATOM 679 OD2 ASP A 48 -12.004 -5.761 -13.721 1.00 21.34 O ATOM 0 H ASP A 48 -11.558 -8.962 -10.180 1.00 2.00 H new ATOM 0 HA ASP A 48 -11.255 -6.179 -11.060 1.00 21.42 H new ATOM 0 HB2 ASP A 48 -10.941 -8.000 -12.686 1.00 72.25 H new ATOM 0 HB3 ASP A 48 -12.522 -8.653 -12.305 1.00 72.25 H new ATOM 684 N GLY A 49 -13.427 -5.302 -10.322 1.00 32.23 N ATOM 685 CA GLY A 49 -14.702 -4.746 -9.900 1.00 22.14 C ATOM 686 C GLY A 49 -15.438 -4.074 -11.044 1.00 63.22 C ATOM 687 O GLY A 49 -14.892 -3.932 -12.139 1.00 21.41 O ATOM 0 H GLY A 49 -12.677 -4.617 -10.417 1.00 32.23 H new ATOM 0 HA2 GLY A 49 -15.324 -5.540 -9.486 1.00 22.14 H new ATOM 0 HA3 GLY A 49 -14.535 -4.022 -9.102 1.00 22.14 H new ATOM 691 N ASP A 50 -16.671 -3.639 -10.784 1.00 45.24 N ATOM 692 CA ASP A 50 -17.523 -3.029 -11.816 1.00 72.23 C ATOM 693 C ASP A 50 -16.867 -1.788 -12.421 1.00 21.31 C ATOM 694 O ASP A 50 -17.063 -1.478 -13.598 1.00 41.31 O ATOM 695 CB ASP A 50 -18.891 -2.645 -11.229 1.00 34.51 C ATOM 696 CG ASP A 50 -19.652 -3.837 -10.669 1.00 13.54 C ATOM 697 OD1 ASP A 50 -19.528 -4.109 -9.455 1.00 5.40 O ATOM 698 OD2 ASP A 50 -20.374 -4.509 -11.438 1.00 33.10 O ATOM 0 H ASP A 50 -17.108 -3.696 -9.864 1.00 45.24 H new ATOM 0 HA ASP A 50 -17.659 -3.770 -12.604 1.00 72.23 H new ATOM 0 HB2 ASP A 50 -18.747 -1.908 -10.438 1.00 34.51 H new ATOM 0 HB3 ASP A 50 -19.492 -2.168 -12.003 1.00 34.51 H new ATOM 703 N GLU A 51 -16.095 -1.080 -11.608 1.00 43.44 N ATOM 704 CA GLU A 51 -15.473 0.177 -12.026 1.00 2.31 C ATOM 705 C GLU A 51 -14.035 -0.039 -12.499 1.00 22.14 C ATOM 706 O GLU A 51 -13.450 0.836 -13.142 1.00 14.31 O ATOM 707 CB GLU A 51 -15.521 1.184 -10.869 1.00 60.44 C ATOM 708 CG GLU A 51 -16.944 1.532 -10.436 1.00 3.20 C ATOM 709 CD GLU A 51 -16.999 2.328 -9.143 1.00 42.24 C ATOM 710 OE1 GLU A 51 -16.815 3.560 -9.185 1.00 0.32 O ATOM 711 OE2 GLU A 51 -17.234 1.720 -8.077 1.00 61.03 O ATOM 0 H GLU A 51 -15.881 -1.354 -10.649 1.00 43.44 H new ATOM 0 HA GLU A 51 -16.034 0.575 -12.872 1.00 2.31 H new ATOM 0 HB2 GLU A 51 -14.978 0.775 -10.017 1.00 60.44 H new ATOM 0 HB3 GLU A 51 -15.005 2.097 -11.168 1.00 60.44 H new ATOM 0 HG2 GLU A 51 -17.428 2.104 -11.228 1.00 3.20 H new ATOM 0 HG3 GLU A 51 -17.515 0.612 -10.313 1.00 3.20 H new ATOM 718 N GLY A 52 -13.478 -1.208 -12.196 1.00 24.45 N ATOM 719 CA GLY A 52 -12.113 -1.514 -12.591 1.00 4.45 C ATOM 720 C GLY A 52 -11.481 -2.555 -11.689 1.00 13.54 C ATOM 721 O GLY A 52 -12.065 -2.932 -10.670 1.00 11.22 O ATOM 0 H GLY A 52 -13.949 -1.952 -11.682 1.00 24.45 H new ATOM 0 HA2 GLY A 52 -12.105 -1.873 -13.620 1.00 4.45 H new ATOM 0 HA3 GLY A 52 -11.516 -0.603 -12.567 1.00 4.45 H new ATOM 725 N THR A 53 -10.294 -3.022 -12.057 1.00 21.13 N ATOM 726 CA THR A 53 -9.587 -4.034 -11.282 1.00 35.22 C ATOM 727 C THR A 53 -8.902 -3.406 -10.065 1.00 1.25 C ATOM 728 O THR A 53 -7.997 -2.579 -10.210 1.00 51.24 O ATOM 729 CB THR A 53 -8.533 -4.751 -12.156 1.00 11.44 C ATOM 730 OG1 THR A 53 -9.139 -5.206 -13.379 1.00 45.44 O ATOM 731 CG2 THR A 53 -7.919 -5.939 -11.419 1.00 1.20 C ATOM 0 H THR A 53 -9.798 -2.713 -12.893 1.00 21.13 H new ATOM 0 HA THR A 53 -10.320 -4.763 -10.938 1.00 35.22 H new ATOM 0 HB THR A 53 -7.740 -4.038 -12.380 1.00 11.44 H new ATOM 0 HG1 THR A 53 -10.100 -5.336 -13.239 1.00 45.44 H new ATOM 0 HG21 THR A 53 -7.182 -6.423 -12.059 1.00 1.20 H new ATOM 0 HG22 THR A 53 -7.435 -5.590 -10.507 1.00 1.20 H new ATOM 0 HG23 THR A 53 -8.702 -6.653 -11.164 1.00 1.20 H new ATOM 739 N VAL A 54 -9.344 -3.793 -8.870 1.00 53.10 N ATOM 740 CA VAL A 54 -8.777 -3.270 -7.631 1.00 62.10 C ATOM 741 C VAL A 54 -7.857 -4.302 -6.982 1.00 52.41 C ATOM 742 O VAL A 54 -8.105 -5.507 -7.061 1.00 2.23 O ATOM 743 CB VAL A 54 -9.879 -2.852 -6.620 1.00 75.10 C ATOM 744 CG1 VAL A 54 -10.769 -1.762 -7.214 1.00 21.42 C ATOM 745 CG2 VAL A 54 -10.711 -4.058 -6.178 1.00 52.42 C ATOM 0 H VAL A 54 -10.096 -4.469 -8.735 1.00 53.10 H new ATOM 0 HA VAL A 54 -8.202 -2.382 -7.895 1.00 62.10 H new ATOM 0 HB VAL A 54 -9.388 -2.447 -5.735 1.00 75.10 H new ATOM 0 HG11 VAL A 54 -11.535 -1.483 -6.490 1.00 21.42 H new ATOM 0 HG12 VAL A 54 -10.163 -0.889 -7.456 1.00 21.42 H new ATOM 0 HG13 VAL A 54 -11.245 -2.135 -8.121 1.00 21.42 H new ATOM 0 HG21 VAL A 54 -11.474 -3.734 -5.470 1.00 52.42 H new ATOM 0 HG22 VAL A 54 -11.190 -4.508 -7.048 1.00 52.42 H new ATOM 0 HG23 VAL A 54 -10.062 -4.792 -5.701 1.00 52.42 H new ATOM 755 N ALA A 55 -6.791 -3.828 -6.354 1.00 70.23 N ATOM 756 CA ALA A 55 -5.827 -4.698 -5.685 1.00 33.42 C ATOM 757 C ALA A 55 -6.105 -4.754 -4.183 1.00 23.53 C ATOM 758 O ALA A 55 -5.957 -3.748 -3.487 1.00 51.41 O ATOM 759 CB ALA A 55 -4.413 -4.182 -5.930 1.00 32.11 C ATOM 0 H ALA A 55 -6.568 -2.835 -6.292 1.00 70.23 H new ATOM 0 HA ALA A 55 -5.923 -5.704 -6.093 1.00 33.42 H new ATOM 0 HB1 ALA A 55 -3.696 -4.833 -5.430 1.00 32.11 H new ATOM 0 HB2 ALA A 55 -4.209 -4.173 -7.001 1.00 32.11 H new ATOM 0 HB3 ALA A 55 -4.321 -3.170 -5.535 1.00 32.11 H new ATOM 765 N LEU A 56 -6.522 -5.912 -3.683 1.00 73.42 N ATOM 766 CA LEU A 56 -6.738 -6.084 -2.249 1.00 70.24 C ATOM 767 C LEU A 56 -5.390 -6.313 -1.563 1.00 3.35 C ATOM 768 O LEU A 56 -4.709 -7.307 -1.836 1.00 34.24 O ATOM 769 CB LEU A 56 -7.682 -7.265 -1.959 1.00 32.04 C ATOM 770 CG LEU A 56 -9.013 -7.274 -2.738 1.00 1.43 C ATOM 771 CD1 LEU A 56 -9.861 -8.477 -2.334 1.00 14.15 C ATOM 772 CD2 LEU A 56 -9.792 -5.975 -2.529 1.00 61.24 C ATOM 0 H LEU A 56 -6.716 -6.741 -4.244 1.00 73.42 H new ATOM 0 HA LEU A 56 -7.208 -5.181 -1.859 1.00 70.24 H new ATOM 0 HB2 LEU A 56 -7.150 -8.191 -2.177 1.00 32.04 H new ATOM 0 HB3 LEU A 56 -7.908 -7.270 -0.893 1.00 32.04 H new ATOM 0 HG LEU A 56 -8.776 -7.353 -3.799 1.00 1.43 H new ATOM 0 HD11 LEU A 56 -10.796 -8.467 -2.894 1.00 14.15 H new ATOM 0 HD12 LEU A 56 -9.317 -9.396 -2.553 1.00 14.15 H new ATOM 0 HD13 LEU A 56 -10.076 -8.428 -1.267 1.00 14.15 H new ATOM 0 HD21 LEU A 56 -10.724 -6.015 -3.092 1.00 61.24 H new ATOM 0 HD22 LEU A 56 -10.013 -5.850 -1.469 1.00 61.24 H new ATOM 0 HD23 LEU A 56 -9.194 -5.132 -2.877 1.00 61.24 H new ATOM 784 N ILE A 57 -4.997 -5.382 -0.699 1.00 62.34 N ATOM 785 CA ILE A 57 -3.702 -5.440 -0.019 1.00 14.44 C ATOM 786 C ILE A 57 -3.905 -5.479 1.492 1.00 74.40 C ATOM 787 O ILE A 57 -4.583 -4.612 2.048 1.00 44.14 O ATOM 788 CB ILE A 57 -2.826 -4.207 -0.373 1.00 21.33 C ATOM 789 CG1 ILE A 57 -2.711 -4.039 -1.898 1.00 1.33 C ATOM 790 CG2 ILE A 57 -1.438 -4.329 0.265 1.00 24.24 C ATOM 791 CD1 ILE A 57 -1.903 -2.828 -2.324 1.00 23.45 C ATOM 0 H ILE A 57 -5.561 -4.570 -0.450 1.00 62.34 H new ATOM 0 HA ILE A 57 -3.194 -6.345 -0.353 1.00 14.44 H new ATOM 0 HB ILE A 57 -3.311 -3.318 0.031 1.00 21.33 H new ATOM 0 HG12 ILE A 57 -2.254 -4.935 -2.319 1.00 1.33 H new ATOM 0 HG13 ILE A 57 -3.712 -3.963 -2.322 1.00 1.33 H new ATOM 0 HG21 ILE A 57 -0.840 -3.456 0.005 1.00 24.24 H new ATOM 0 HG22 ILE A 57 -1.540 -4.390 1.349 1.00 24.24 H new ATOM 0 HG23 ILE A 57 -0.946 -5.229 -0.104 1.00 24.24 H new ATOM 0 HD11 ILE A 57 -1.868 -2.779 -3.412 1.00 23.45 H new ATOM 0 HD12 ILE A 57 -2.370 -1.924 -1.935 1.00 23.45 H new ATOM 0 HD13 ILE A 57 -0.889 -2.911 -1.932 1.00 23.45 H new ATOM 803 N ASP A 58 -3.335 -6.479 2.157 1.00 74.53 N ATOM 804 CA ASP A 58 -3.420 -6.557 3.616 1.00 73.25 C ATOM 805 C ASP A 58 -2.171 -5.958 4.265 1.00 64.10 C ATOM 806 O ASP A 58 -1.042 -6.273 3.880 1.00 43.11 O ATOM 807 CB ASP A 58 -3.622 -7.999 4.090 1.00 15.54 C ATOM 808 CG ASP A 58 -3.828 -8.072 5.585 1.00 51.44 C ATOM 809 OD1 ASP A 58 -3.319 -9.025 6.218 1.00 20.51 O ATOM 810 OD2 ASP A 58 -4.516 -7.182 6.123 1.00 35.54 O ATOM 0 H ASP A 58 -2.815 -7.239 1.718 1.00 74.53 H new ATOM 0 HA ASP A 58 -4.289 -5.976 3.924 1.00 73.25 H new ATOM 0 HB2 ASP A 58 -4.484 -8.432 3.582 1.00 15.54 H new ATOM 0 HB3 ASP A 58 -2.755 -8.598 3.812 1.00 15.54 H new ATOM 815 N MET A 59 -2.385 -5.079 5.240 1.00 31.11 N ATOM 816 CA MET A 59 -1.301 -4.349 5.899 1.00 54.31 C ATOM 817 C MET A 59 -1.565 -4.199 7.404 1.00 12.55 C ATOM 818 O MET A 59 -2.652 -4.523 7.902 1.00 44.34 O ATOM 819 CB MET A 59 -1.114 -2.962 5.259 1.00 43.43 C ATOM 820 CG MET A 59 -0.547 -2.987 3.843 1.00 21.14 C ATOM 821 SD MET A 59 -0.505 -1.351 3.072 1.00 42.32 S ATOM 822 CE MET A 59 0.497 -0.414 4.230 1.00 53.22 C ATOM 0 H MET A 59 -3.313 -4.851 5.597 1.00 31.11 H new ATOM 0 HA MET A 59 -0.387 -4.927 5.767 1.00 54.31 H new ATOM 0 HB2 MET A 59 -2.077 -2.452 5.242 1.00 43.43 H new ATOM 0 HB3 MET A 59 -0.451 -2.371 5.891 1.00 43.43 H new ATOM 0 HG2 MET A 59 0.463 -3.397 3.869 1.00 21.14 H new ATOM 0 HG3 MET A 59 -1.148 -3.657 3.228 1.00 21.14 H new ATOM 0 HE1 MET A 59 -0.133 0.299 4.762 1.00 53.22 H new ATOM 0 HE2 MET A 59 0.959 -1.095 4.945 1.00 53.22 H new ATOM 0 HE3 MET A 59 1.274 0.123 3.687 1.00 53.22 H new ATOM 832 N THR A 60 -0.552 -3.716 8.120 1.00 51.04 N ATOM 833 CA THR A 60 -0.669 -3.414 9.541 1.00 32.03 C ATOM 834 C THR A 60 0.350 -2.340 9.930 1.00 21.43 C ATOM 835 O THR A 60 1.381 -2.189 9.267 1.00 61.45 O ATOM 836 CB THR A 60 -0.453 -4.674 10.413 1.00 14.24 C ATOM 837 OG1 THR A 60 -0.702 -4.367 11.791 1.00 72.41 O ATOM 838 CG2 THR A 60 0.964 -5.221 10.263 1.00 40.51 C ATOM 0 H THR A 60 0.371 -3.524 7.730 1.00 51.04 H new ATOM 0 HA THR A 60 -1.680 -3.049 9.721 1.00 32.03 H new ATOM 0 HB THR A 60 -1.153 -5.437 10.072 1.00 14.24 H new ATOM 0 HG1 THR A 60 -1.580 -4.716 12.050 1.00 72.41 H new ATOM 0 HG21 THR A 60 1.081 -6.106 10.889 1.00 40.51 H new ATOM 0 HG22 THR A 60 1.143 -5.488 9.221 1.00 40.51 H new ATOM 0 HG23 THR A 60 1.682 -4.461 10.571 1.00 40.51 H new ATOM 846 N LEU A 61 0.046 -1.575 10.979 1.00 0.14 N ATOM 847 CA LEU A 61 0.966 -0.566 11.501 1.00 63.12 C ATOM 848 C LEU A 61 1.493 -0.998 12.869 1.00 23.14 C ATOM 849 O LEU A 61 1.003 -1.963 13.453 1.00 63.44 O ATOM 850 CB LEU A 61 0.278 0.811 11.610 1.00 33.23 C ATOM 851 CG LEU A 61 -0.090 1.491 10.273 1.00 44.44 C ATOM 852 CD1 LEU A 61 -1.223 0.754 9.564 1.00 22.23 C ATOM 853 CD2 LEU A 61 -0.466 2.955 10.495 1.00 41.55 C ATOM 0 H LEU A 61 -0.837 -1.637 11.486 1.00 0.14 H new ATOM 0 HA LEU A 61 1.800 -0.474 10.806 1.00 63.12 H new ATOM 0 HB2 LEU A 61 -0.632 0.695 12.198 1.00 33.23 H new ATOM 0 HB3 LEU A 61 0.934 1.480 12.167 1.00 33.23 H new ATOM 0 HG LEU A 61 0.790 1.450 9.632 1.00 44.44 H new ATOM 0 HD11 LEU A 61 -1.456 1.260 8.627 1.00 22.23 H new ATOM 0 HD12 LEU A 61 -0.916 -0.271 9.356 1.00 22.23 H new ATOM 0 HD13 LEU A 61 -2.107 0.746 10.202 1.00 22.23 H new ATOM 0 HD21 LEU A 61 -0.721 3.414 9.540 1.00 41.55 H new ATOM 0 HD22 LEU A 61 -1.323 3.013 11.166 1.00 41.55 H new ATOM 0 HD23 LEU A 61 0.378 3.484 10.938 1.00 41.55 H new ATOM 865 N THR A 62 2.483 -0.267 13.375 1.00 60.35 N ATOM 866 CA THR A 62 3.122 -0.587 14.649 1.00 54.14 C ATOM 867 C THR A 62 2.109 -0.639 15.797 1.00 2.10 C ATOM 868 O THR A 62 1.949 -1.671 16.455 1.00 50.44 O ATOM 869 CB THR A 62 4.219 0.449 14.974 1.00 41.15 C ATOM 870 OG1 THR A 62 3.680 1.775 14.851 1.00 1.20 O ATOM 871 CG2 THR A 62 5.418 0.299 14.042 1.00 12.21 C ATOM 0 H THR A 62 2.864 0.560 12.916 1.00 60.35 H new ATOM 0 HA THR A 62 3.570 -1.576 14.548 1.00 54.14 H new ATOM 0 HB THR A 62 4.557 0.276 15.996 1.00 41.15 H new ATOM 0 HG1 THR A 62 4.377 2.432 15.059 1.00 1.20 H new ATOM 0 HG21 THR A 62 6.173 1.043 14.297 1.00 12.21 H new ATOM 0 HG22 THR A 62 5.841 -0.699 14.152 1.00 12.21 H new ATOM 0 HG23 THR A 62 5.098 0.446 13.011 1.00 12.21 H new ATOM 879 N SER A 63 1.433 0.480 16.039 1.00 0.23 N ATOM 880 CA SER A 63 0.422 0.558 17.089 1.00 34.02 C ATOM 881 C SER A 63 -0.954 0.228 16.524 1.00 53.34 C ATOM 882 O SER A 63 -1.855 -0.191 17.257 1.00 2.34 O ATOM 883 CB SER A 63 0.406 1.966 17.698 1.00 75.23 C ATOM 884 OG SER A 63 0.077 2.940 16.718 1.00 13.04 O ATOM 0 H SER A 63 1.567 1.348 15.521 1.00 0.23 H new ATOM 0 HA SER A 63 0.669 -0.167 17.865 1.00 34.02 H new ATOM 0 HB2 SER A 63 -0.317 2.006 18.513 1.00 75.23 H new ATOM 0 HB3 SER A 63 1.382 2.192 18.127 1.00 75.23 H new ATOM 0 HG SER A 63 0.900 3.319 16.344 1.00 13.04 H new ATOM 890 N ALA A 64 -1.100 0.434 15.210 1.00 5.25 N ATOM 891 CA ALA A 64 -2.385 0.290 14.520 1.00 32.21 C ATOM 892 C ALA A 64 -3.391 1.327 15.022 1.00 24.43 C ATOM 893 O ALA A 64 -4.573 1.282 14.679 1.00 53.40 O ATOM 894 CB ALA A 64 -2.929 -1.126 14.676 1.00 0.01 C ATOM 0 H ALA A 64 -0.331 0.705 14.597 1.00 5.25 H new ATOM 0 HA ALA A 64 -2.223 0.470 13.457 1.00 32.21 H new ATOM 0 HB1 ALA A 64 -3.883 -1.209 14.156 1.00 0.01 H new ATOM 0 HB2 ALA A 64 -2.221 -1.837 14.250 1.00 0.01 H new ATOM 0 HB3 ALA A 64 -3.072 -1.346 15.734 1.00 0.01 H new ATOM 900 N ALA A 65 -2.903 2.269 15.825 1.00 55.40 N ATOM 901 CA ALA A 65 -3.734 3.332 16.379 1.00 32.33 C ATOM 902 C ALA A 65 -3.334 4.683 15.795 1.00 2.44 C ATOM 903 O ALA A 65 -4.142 5.612 15.743 1.00 70.44 O ATOM 904 CB ALA A 65 -3.622 3.350 17.901 1.00 42.44 C ATOM 0 H ALA A 65 -1.924 2.316 16.109 1.00 55.40 H new ATOM 0 HA ALA A 65 -4.772 3.138 16.110 1.00 32.33 H new ATOM 0 HB1 ALA A 65 -4.247 4.148 18.302 1.00 42.44 H new ATOM 0 HB2 ALA A 65 -3.954 2.392 18.302 1.00 42.44 H new ATOM 0 HB3 ALA A 65 -2.585 3.523 18.187 1.00 42.44 H new ATOM 910 N CYS A 66 -2.075 4.786 15.369 1.00 65.02 N ATOM 911 CA CYS A 66 -1.565 6.005 14.751 1.00 21.04 C ATOM 912 C CYS A 66 -2.371 6.351 13.493 1.00 41.35 C ATOM 913 O CYS A 66 -2.640 5.479 12.663 1.00 14.24 O ATOM 914 CB CYS A 66 -0.081 5.835 14.399 1.00 12.12 C ATOM 915 SG CYS A 66 0.964 5.414 15.812 1.00 51.14 S ATOM 0 H CYS A 66 -1.389 4.035 15.442 1.00 65.02 H new ATOM 0 HA CYS A 66 -1.669 6.824 15.462 1.00 21.04 H new ATOM 0 HB2 CYS A 66 0.016 5.056 13.643 1.00 12.12 H new ATOM 0 HB3 CYS A 66 0.284 6.760 13.952 1.00 12.12 H new ATOM 0 HG CYS A 66 0.289 4.682 16.648 1.00 51.14 H new ATOM 921 N PRO A 67 -2.740 7.636 13.319 1.00 44.52 N ATOM 922 CA PRO A 67 -3.575 8.083 12.190 1.00 60.14 C ATOM 923 C PRO A 67 -2.818 8.104 10.854 1.00 31.44 C ATOM 924 O PRO A 67 -3.195 8.822 9.928 1.00 75.44 O ATOM 925 CB PRO A 67 -3.983 9.500 12.609 1.00 63.43 C ATOM 926 CG PRO A 67 -2.857 9.974 13.465 1.00 41.03 C ATOM 927 CD PRO A 67 -2.369 8.759 14.210 1.00 41.32 C ATOM 0 HA PRO A 67 -4.415 7.411 12.011 1.00 60.14 H new ATOM 0 HB2 PRO A 67 -4.122 10.146 11.742 1.00 63.43 H new ATOM 0 HB3 PRO A 67 -4.925 9.496 13.158 1.00 63.43 H new ATOM 0 HG2 PRO A 67 -2.061 10.407 12.860 1.00 41.03 H new ATOM 0 HG3 PRO A 67 -3.190 10.749 14.156 1.00 41.03 H new ATOM 0 HD2 PRO A 67 -1.293 8.798 14.380 1.00 41.32 H new ATOM 0 HD3 PRO A 67 -2.843 8.670 15.187 1.00 41.32 H new ATOM 935 N LEU A 68 -1.779 7.275 10.743 1.00 5.33 N ATOM 936 CA LEU A 68 -0.942 7.236 9.545 1.00 34.14 C ATOM 937 C LEU A 68 -1.647 6.455 8.442 1.00 65.51 C ATOM 938 O LEU A 68 -1.168 6.399 7.306 1.00 52.33 O ATOM 939 CB LEU A 68 0.421 6.604 9.862 1.00 45.03 C ATOM 940 CG LEU A 68 1.255 7.336 10.928 1.00 44.03 C ATOM 941 CD1 LEU A 68 2.573 6.602 11.179 1.00 22.50 C ATOM 942 CD2 LEU A 68 1.510 8.787 10.515 1.00 31.30 C ATOM 0 H LEU A 68 -1.497 6.619 11.472 1.00 5.33 H new ATOM 0 HA LEU A 68 -0.774 8.257 9.201 1.00 34.14 H new ATOM 0 HB2 LEU A 68 0.259 5.578 10.193 1.00 45.03 H new ATOM 0 HB3 LEU A 68 1.002 6.554 8.941 1.00 45.03 H new ATOM 0 HG LEU A 68 0.688 7.345 11.859 1.00 44.03 H new ATOM 0 HD11 LEU A 68 3.148 7.135 11.936 1.00 22.50 H new ATOM 0 HD12 LEU A 68 2.365 5.590 11.527 1.00 22.50 H new ATOM 0 HD13 LEU A 68 3.146 6.556 10.253 1.00 22.50 H new ATOM 0 HD21 LEU A 68 2.101 9.285 11.283 1.00 31.30 H new ATOM 0 HD22 LEU A 68 2.053 8.806 9.570 1.00 31.30 H new ATOM 0 HD23 LEU A 68 0.558 9.304 10.397 1.00 31.30 H new ATOM 954 N THR A 69 -2.788 5.860 8.797 1.00 62.22 N ATOM 955 CA THR A 69 -3.633 5.149 7.847 1.00 24.41 C ATOM 956 C THR A 69 -3.878 6.018 6.616 1.00 61.41 C ATOM 957 O THR A 69 -3.742 5.559 5.487 1.00 50.13 O ATOM 958 CB THR A 69 -4.981 4.743 8.503 1.00 74.31 C ATOM 959 OG1 THR A 69 -5.810 4.037 7.568 1.00 14.31 O ATOM 960 CG2 THR A 69 -5.735 5.958 9.039 1.00 52.43 C ATOM 0 H THR A 69 -3.148 5.860 9.751 1.00 62.22 H new ATOM 0 HA THR A 69 -3.120 4.238 7.540 1.00 24.41 H new ATOM 0 HB THR A 69 -4.745 4.088 9.341 1.00 74.31 H new ATOM 0 HG1 THR A 69 -5.656 3.073 7.657 1.00 14.31 H new ATOM 0 HG21 THR A 69 -6.673 5.634 9.490 1.00 52.43 H new ATOM 0 HG22 THR A 69 -5.126 6.462 9.789 1.00 52.43 H new ATOM 0 HG23 THR A 69 -5.945 6.646 8.220 1.00 52.43 H new ATOM 968 N ASP A 70 -4.173 7.295 6.860 1.00 71.44 N ATOM 969 CA ASP A 70 -4.419 8.264 5.796 1.00 21.14 C ATOM 970 C ASP A 70 -3.218 8.350 4.856 1.00 42.34 C ATOM 971 O ASP A 70 -3.354 8.213 3.636 1.00 64.23 O ATOM 972 CB ASP A 70 -4.701 9.643 6.413 1.00 35.55 C ATOM 973 CG ASP A 70 -4.912 10.734 5.372 1.00 11.41 C ATOM 974 OD1 ASP A 70 -3.927 11.383 4.969 1.00 1.41 O ATOM 975 OD2 ASP A 70 -6.069 10.965 4.968 1.00 33.24 O ATOM 0 H ASP A 70 -4.248 7.685 7.800 1.00 71.44 H new ATOM 0 HA ASP A 70 -5.284 7.939 5.218 1.00 21.14 H new ATOM 0 HB2 ASP A 70 -5.586 9.577 7.045 1.00 35.55 H new ATOM 0 HB3 ASP A 70 -3.868 9.922 7.059 1.00 35.55 H new ATOM 980 N VAL A 71 -2.042 8.549 5.445 1.00 32.23 N ATOM 981 CA VAL A 71 -0.825 8.782 4.681 1.00 53.10 C ATOM 982 C VAL A 71 -0.473 7.578 3.810 1.00 24.44 C ATOM 983 O VAL A 71 -0.315 7.711 2.596 1.00 31.04 O ATOM 984 CB VAL A 71 0.374 9.102 5.612 1.00 34.33 C ATOM 985 CG1 VAL A 71 1.631 9.405 4.794 1.00 44.41 C ATOM 986 CG2 VAL A 71 0.034 10.265 6.547 1.00 61.33 C ATOM 0 H VAL A 71 -1.908 8.553 6.456 1.00 32.23 H new ATOM 0 HA VAL A 71 -1.019 9.641 4.039 1.00 53.10 H new ATOM 0 HB VAL A 71 0.577 8.223 6.224 1.00 34.33 H new ATOM 0 HG11 VAL A 71 2.459 9.627 5.468 1.00 44.41 H new ATOM 0 HG12 VAL A 71 1.884 8.540 4.181 1.00 44.41 H new ATOM 0 HG13 VAL A 71 1.447 10.265 4.150 1.00 44.41 H new ATOM 0 HG21 VAL A 71 0.887 10.475 7.192 1.00 61.33 H new ATOM 0 HG22 VAL A 71 -0.200 11.150 5.956 1.00 61.33 H new ATOM 0 HG23 VAL A 71 -0.828 9.999 7.160 1.00 61.33 H new ATOM 996 N ILE A 72 -0.396 6.397 4.419 1.00 14.15 N ATOM 997 CA ILE A 72 0.038 5.207 3.690 1.00 21.21 C ATOM 998 C ILE A 72 -1.018 4.742 2.686 1.00 2.34 C ATOM 999 O ILE A 72 -0.674 4.288 1.591 1.00 2.51 O ATOM 1000 CB ILE A 72 0.438 4.061 4.644 1.00 73.00 C ATOM 1001 CG1 ILE A 72 -0.679 3.774 5.653 1.00 74.30 C ATOM 1002 CG2 ILE A 72 1.744 4.409 5.360 1.00 33.41 C ATOM 1003 CD1 ILE A 72 -0.265 2.812 6.738 1.00 21.23 C ATOM 0 H ILE A 72 -0.624 6.239 5.400 1.00 14.15 H new ATOM 0 HA ILE A 72 0.928 5.491 3.128 1.00 21.21 H new ATOM 0 HB ILE A 72 0.593 3.156 4.056 1.00 73.00 H new ATOM 0 HG12 ILE A 72 -0.998 4.711 6.109 1.00 74.30 H new ATOM 0 HG13 ILE A 72 -1.541 3.367 5.125 1.00 74.30 H new ATOM 0 HG21 ILE A 72 2.019 3.595 6.031 1.00 33.41 H new ATOM 0 HG22 ILE A 72 2.535 4.555 4.624 1.00 33.41 H new ATOM 0 HG23 ILE A 72 1.610 5.325 5.936 1.00 33.41 H new ATOM 0 HD11 ILE A 72 -1.100 2.651 7.420 1.00 21.23 H new ATOM 0 HD12 ILE A 72 0.026 1.862 6.290 1.00 21.23 H new ATOM 0 HD13 ILE A 72 0.579 3.227 7.290 1.00 21.23 H new ATOM 1015 N GLU A 73 -2.296 4.880 3.045 1.00 51.12 N ATOM 1016 CA GLU A 73 -3.393 4.597 2.112 1.00 0.15 C ATOM 1017 C GLU A 73 -3.198 5.435 0.860 1.00 22.02 C ATOM 1018 O GLU A 73 -3.109 4.922 -0.263 1.00 64.11 O ATOM 1019 CB GLU A 73 -4.750 4.953 2.758 1.00 10.11 C ATOM 1020 CG GLU A 73 -5.782 3.825 2.743 1.00 72.35 C ATOM 1021 CD GLU A 73 -6.564 3.760 1.439 1.00 24.22 C ATOM 1022 OE1 GLU A 73 -7.697 4.292 1.393 1.00 1.11 O ATOM 1023 OE2 GLU A 73 -6.048 3.197 0.453 1.00 63.13 O ATOM 0 H GLU A 73 -2.598 5.185 3.970 1.00 51.12 H new ATOM 0 HA GLU A 73 -3.390 3.536 1.862 1.00 0.15 H new ATOM 0 HB2 GLU A 73 -4.577 5.255 3.791 1.00 10.11 H new ATOM 0 HB3 GLU A 73 -5.168 5.816 2.240 1.00 10.11 H new ATOM 0 HG2 GLU A 73 -5.276 2.873 2.906 1.00 72.35 H new ATOM 0 HG3 GLU A 73 -6.477 3.963 3.572 1.00 72.35 H new ATOM 1030 N ASP A 74 -3.069 6.733 1.098 1.00 51.34 N ATOM 1031 CA ASP A 74 -2.955 7.715 0.037 1.00 20.22 C ATOM 1032 C ASP A 74 -1.736 7.445 -0.836 1.00 31.21 C ATOM 1033 O ASP A 74 -1.857 7.350 -2.055 1.00 31.33 O ATOM 1034 CB ASP A 74 -2.880 9.114 0.647 1.00 62.44 C ATOM 1035 CG ASP A 74 -2.853 10.210 -0.411 1.00 45.45 C ATOM 1036 OD1 ASP A 74 -3.932 10.667 -0.833 1.00 2.44 O ATOM 1037 OD2 ASP A 74 -1.747 10.624 -0.817 1.00 2.30 O ATOM 0 H ASP A 74 -3.041 7.132 2.036 1.00 51.34 H new ATOM 0 HA ASP A 74 -3.836 7.645 -0.601 1.00 20.22 H new ATOM 0 HB2 ASP A 74 -3.737 9.267 1.303 1.00 62.44 H new ATOM 0 HB3 ASP A 74 -1.987 9.189 1.267 1.00 62.44 H new ATOM 1042 N GLN A 75 -0.571 7.285 -0.207 1.00 12.42 N ATOM 1043 CA GLN A 75 0.675 7.084 -0.948 1.00 0.12 C ATOM 1044 C GLN A 75 0.584 5.838 -1.820 1.00 14.23 C ATOM 1045 O GLN A 75 0.883 5.884 -3.016 1.00 44.41 O ATOM 1046 CB GLN A 75 1.883 6.974 0.000 1.00 44.03 C ATOM 1047 CG GLN A 75 2.116 8.211 0.866 1.00 72.14 C ATOM 1048 CD GLN A 75 2.041 9.509 0.079 1.00 53.22 C ATOM 1049 OE1 GLN A 75 3.037 9.991 -0.455 1.00 55.41 O ATOM 1050 NE2 GLN A 75 0.854 10.091 0.016 1.00 45.42 N ATOM 0 H GLN A 75 -0.464 7.291 0.807 1.00 12.42 H new ATOM 0 HA GLN A 75 0.822 7.956 -1.585 1.00 0.12 H new ATOM 0 HB2 GLN A 75 1.742 6.111 0.650 1.00 44.03 H new ATOM 0 HB3 GLN A 75 2.779 6.785 -0.592 1.00 44.03 H new ATOM 0 HG2 GLN A 75 1.375 8.233 1.665 1.00 72.14 H new ATOM 0 HG3 GLN A 75 3.094 8.136 1.341 1.00 72.14 H new ATOM 0 HE21 GLN A 75 0.050 9.660 0.472 1.00 45.42 H new ATOM 0 HE22 GLN A 75 0.743 10.970 -0.489 1.00 45.42 H new ATOM 1059 N SER A 76 0.144 4.734 -1.224 1.00 14.13 N ATOM 1060 CA SER A 76 0.052 3.471 -1.940 1.00 71.45 C ATOM 1061 C SER A 76 -0.878 3.593 -3.153 1.00 74.32 C ATOM 1062 O SER A 76 -0.446 3.424 -4.299 1.00 42.33 O ATOM 1063 CB SER A 76 -0.428 2.367 -0.994 1.00 72.52 C ATOM 1064 OG SER A 76 0.444 2.242 0.119 1.00 73.41 O ATOM 0 H SER A 76 -0.153 4.691 -0.249 1.00 14.13 H new ATOM 0 HA SER A 76 1.043 3.209 -2.309 1.00 71.45 H new ATOM 0 HB2 SER A 76 -1.437 2.592 -0.648 1.00 72.52 H new ATOM 0 HB3 SER A 76 -0.479 1.419 -1.530 1.00 72.52 H new ATOM 0 HG SER A 76 0.210 2.912 0.795 1.00 73.41 H new ATOM 1070 N ARG A 77 -2.147 3.927 -2.910 1.00 43.33 N ATOM 1071 CA ARG A 77 -3.136 3.972 -3.989 1.00 33.23 C ATOM 1072 C ARG A 77 -2.761 5.018 -5.040 1.00 71.25 C ATOM 1073 O ARG A 77 -2.940 4.794 -6.242 1.00 10.33 O ATOM 1074 CB ARG A 77 -4.547 4.227 -3.431 1.00 33.41 C ATOM 1075 CG ARG A 77 -4.731 5.576 -2.745 1.00 23.11 C ATOM 1076 CD ARG A 77 -6.038 5.626 -1.961 1.00 32.44 C ATOM 1077 NE ARG A 77 -7.196 5.325 -2.804 1.00 62.51 N ATOM 1078 CZ ARG A 77 -8.401 5.002 -2.334 1.00 64.03 C ATOM 1079 NH1 ARG A 77 -8.599 4.836 -1.035 1.00 42.14 N ATOM 1080 NH2 ARG A 77 -9.402 4.795 -3.169 1.00 70.23 N ATOM 0 H ARG A 77 -2.511 4.167 -1.988 1.00 43.33 H new ATOM 0 HA ARG A 77 -3.140 2.998 -4.479 1.00 33.23 H new ATOM 0 HB2 ARG A 77 -5.264 4.150 -4.248 1.00 33.41 H new ATOM 0 HB3 ARG A 77 -4.789 3.438 -2.719 1.00 33.41 H new ATOM 0 HG2 ARG A 77 -3.894 5.761 -2.072 1.00 23.11 H new ATOM 0 HG3 ARG A 77 -4.722 6.370 -3.492 1.00 23.11 H new ATOM 0 HD2 ARG A 77 -5.994 4.913 -1.138 1.00 32.44 H new ATOM 0 HD3 ARG A 77 -6.158 6.615 -1.520 1.00 32.44 H new ATOM 0 HE ARG A 77 -7.073 5.365 -3.816 1.00 62.51 H new ATOM 0 HH11 ARG A 77 -7.825 4.955 -0.382 1.00 42.14 H new ATOM 0 HH12 ARG A 77 -9.526 4.589 -0.688 1.00 42.14 H new ATOM 0 HH21 ARG A 77 -9.254 4.882 -4.174 1.00 70.23 H new ATOM 0 HH22 ARG A 77 -10.324 4.548 -2.809 1.00 70.23 H new ATOM 1094 N SER A 78 -2.200 6.139 -4.583 1.00 53.30 N ATOM 1095 CA SER A 78 -1.803 7.230 -5.471 1.00 31.25 C ATOM 1096 C SER A 78 -0.766 6.749 -6.487 1.00 44.01 C ATOM 1097 O SER A 78 -0.825 7.108 -7.666 1.00 24.22 O ATOM 1098 CB SER A 78 -1.245 8.400 -4.647 1.00 72.45 C ATOM 1099 OG SER A 78 -0.907 9.512 -5.460 1.00 21.43 O ATOM 0 H SER A 78 -2.010 6.314 -3.596 1.00 53.30 H new ATOM 0 HA SER A 78 -2.682 7.571 -6.018 1.00 31.25 H new ATOM 0 HB2 SER A 78 -1.983 8.705 -3.905 1.00 72.45 H new ATOM 0 HB3 SER A 78 -0.362 8.069 -4.101 1.00 72.45 H new ATOM 0 HG SER A 78 -0.558 10.234 -4.897 1.00 21.43 H new ATOM 1105 N ALA A 79 0.180 5.931 -6.034 1.00 65.02 N ATOM 1106 CA ALA A 79 1.222 5.418 -6.914 1.00 13.14 C ATOM 1107 C ALA A 79 0.664 4.340 -7.843 1.00 11.04 C ATOM 1108 O ALA A 79 0.784 4.439 -9.069 1.00 5.41 O ATOM 1109 CB ALA A 79 2.385 4.871 -6.091 1.00 53.13 C ATOM 0 H ALA A 79 0.245 5.611 -5.068 1.00 65.02 H new ATOM 0 HA ALA A 79 1.589 6.238 -7.531 1.00 13.14 H new ATOM 0 HB1 ALA A 79 3.157 4.491 -6.760 1.00 53.13 H new ATOM 0 HB2 ALA A 79 2.800 5.668 -5.474 1.00 53.13 H new ATOM 0 HB3 ALA A 79 2.030 4.064 -5.451 1.00 53.13 H new ATOM 1115 N LEU A 80 -0.017 3.354 -7.256 1.00 2.31 N ATOM 1116 CA LEU A 80 -0.554 2.221 -8.018 1.00 3.00 C ATOM 1117 C LEU A 80 -1.452 2.700 -9.160 1.00 2.33 C ATOM 1118 O LEU A 80 -1.430 2.136 -10.261 1.00 70.12 O ATOM 1119 CB LEU A 80 -1.326 1.258 -7.093 1.00 2.11 C ATOM 1120 CG LEU A 80 -0.477 0.198 -6.359 1.00 23.11 C ATOM 1121 CD1 LEU A 80 0.140 -0.783 -7.353 1.00 61.41 C ATOM 1122 CD2 LEU A 80 0.605 0.852 -5.500 1.00 35.15 C ATOM 0 H LEU A 80 -0.211 3.316 -6.255 1.00 2.31 H new ATOM 0 HA LEU A 80 0.288 1.683 -8.453 1.00 3.00 H new ATOM 0 HB2 LEU A 80 -1.857 1.850 -6.347 1.00 2.11 H new ATOM 0 HB3 LEU A 80 -2.081 0.743 -7.687 1.00 2.11 H new ATOM 0 HG LEU A 80 -1.139 -0.358 -5.694 1.00 23.11 H new ATOM 0 HD11 LEU A 80 0.734 -1.521 -6.814 1.00 61.41 H new ATOM 0 HD12 LEU A 80 -0.652 -1.288 -7.905 1.00 61.41 H new ATOM 0 HD13 LEU A 80 0.779 -0.241 -8.050 1.00 61.41 H new ATOM 0 HD21 LEU A 80 1.186 0.079 -4.996 1.00 35.15 H new ATOM 0 HD22 LEU A 80 1.264 1.446 -6.134 1.00 35.15 H new ATOM 0 HD23 LEU A 80 0.138 1.498 -4.756 1.00 35.15 H new ATOM 1134 N VAL A 81 -2.228 3.751 -8.902 1.00 42.12 N ATOM 1135 CA VAL A 81 -3.105 4.324 -9.921 1.00 34.54 C ATOM 1136 C VAL A 81 -2.307 5.193 -10.889 1.00 1.34 C ATOM 1137 O VAL A 81 -2.677 5.336 -12.058 1.00 72.25 O ATOM 1138 CB VAL A 81 -4.247 5.159 -9.292 1.00 45.12 C ATOM 1139 CG1 VAL A 81 -3.727 6.466 -8.696 1.00 44.14 C ATOM 1140 CG2 VAL A 81 -5.358 5.422 -10.309 1.00 22.03 C ATOM 0 H VAL A 81 -2.267 4.222 -7.998 1.00 42.12 H new ATOM 0 HA VAL A 81 -3.552 3.492 -10.466 1.00 34.54 H new ATOM 0 HB VAL A 81 -4.668 4.573 -8.475 1.00 45.12 H new ATOM 0 HG11 VAL A 81 -4.557 7.025 -8.264 1.00 44.14 H new ATOM 0 HG12 VAL A 81 -2.995 6.246 -7.919 1.00 44.14 H new ATOM 0 HG13 VAL A 81 -3.257 7.061 -9.479 1.00 44.14 H new ATOM 0 HG21 VAL A 81 -6.148 6.010 -9.841 1.00 22.03 H new ATOM 0 HG22 VAL A 81 -4.951 5.971 -11.158 1.00 22.03 H new ATOM 0 HG23 VAL A 81 -5.768 4.473 -10.653 1.00 22.03 H new ATOM 1150 N GLY A 82 -1.199 5.756 -10.400 1.00 31.11 N ATOM 1151 CA GLY A 82 -0.427 6.704 -11.181 1.00 74.11 C ATOM 1152 C GLY A 82 0.038 6.114 -12.495 1.00 24.01 C ATOM 1153 O GLY A 82 0.103 6.810 -13.511 1.00 53.52 O ATOM 0 H GLY A 82 -0.824 5.568 -9.470 1.00 31.11 H new ATOM 0 HA2 GLY A 82 -1.031 7.590 -11.376 1.00 74.11 H new ATOM 0 HA3 GLY A 82 0.438 7.029 -10.604 1.00 74.11 H new ATOM 1157 N SER A 83 0.332 4.823 -12.481 1.00 63.30 N ATOM 1158 CA SER A 83 0.827 4.134 -13.675 1.00 33.11 C ATOM 1159 C SER A 83 -0.239 3.211 -14.260 1.00 5.44 C ATOM 1160 O SER A 83 0.027 2.452 -15.194 1.00 43.53 O ATOM 1161 CB SER A 83 2.093 3.343 -13.336 1.00 64.25 C ATOM 1162 OG SER A 83 3.071 4.192 -12.773 1.00 30.15 O ATOM 0 H SER A 83 0.238 4.227 -11.659 1.00 63.30 H new ATOM 0 HA SER A 83 1.068 4.884 -14.428 1.00 33.11 H new ATOM 0 HB2 SER A 83 1.852 2.542 -12.637 1.00 64.25 H new ATOM 0 HB3 SER A 83 2.487 2.872 -14.237 1.00 64.25 H new ATOM 0 HG SER A 83 3.921 4.071 -13.246 1.00 30.15 H new ATOM 1168 N GLY A 84 -1.447 3.284 -13.703 1.00 13.04 N ATOM 1169 CA GLY A 84 -2.528 2.420 -14.140 1.00 72.24 C ATOM 1170 C GLY A 84 -2.225 0.956 -13.887 1.00 10.33 C ATOM 1171 O GLY A 84 -2.726 0.078 -14.592 1.00 10.32 O ATOM 0 H GLY A 84 -1.695 3.930 -12.954 1.00 13.04 H new ATOM 0 HA2 GLY A 84 -3.445 2.695 -13.619 1.00 72.24 H new ATOM 0 HA3 GLY A 84 -2.707 2.574 -15.204 1.00 72.24 H new ATOM 1175 N LEU A 85 -1.388 0.700 -12.882 1.00 62.32 N ATOM 1176 CA LEU A 85 -1.029 -0.663 -12.500 1.00 70.31 C ATOM 1177 C LEU A 85 -2.289 -1.409 -12.084 1.00 23.23 C ATOM 1178 O LEU A 85 -2.504 -2.570 -12.445 1.00 53.42 O ATOM 1179 CB LEU A 85 -0.014 -0.635 -11.349 1.00 61.25 C ATOM 1180 CG LEU A 85 1.276 0.159 -11.630 1.00 4.55 C ATOM 1181 CD1 LEU A 85 2.204 0.145 -10.417 1.00 22.33 C ATOM 1182 CD2 LEU A 85 1.992 -0.393 -12.859 1.00 23.44 C ATOM 0 H LEU A 85 -0.945 1.423 -12.316 1.00 62.32 H new ATOM 0 HA LEU A 85 -0.571 -1.176 -13.346 1.00 70.31 H new ATOM 0 HB2 LEU A 85 -0.498 -0.211 -10.469 1.00 61.25 H new ATOM 0 HB3 LEU A 85 0.257 -1.661 -11.100 1.00 61.25 H new ATOM 0 HG LEU A 85 0.996 1.193 -11.830 1.00 4.55 H new ATOM 0 HD11 LEU A 85 3.107 0.713 -10.643 1.00 22.33 H new ATOM 0 HD12 LEU A 85 1.696 0.596 -9.565 1.00 22.33 H new ATOM 0 HD13 LEU A 85 2.473 -0.884 -10.176 1.00 22.33 H new ATOM 0 HD21 LEU A 85 2.900 0.182 -13.040 1.00 23.44 H new ATOM 0 HD22 LEU A 85 2.252 -1.438 -12.690 1.00 23.44 H new ATOM 0 HD23 LEU A 85 1.336 -0.318 -13.726 1.00 23.44 H new ATOM 1194 N VAL A 86 -3.111 -0.708 -11.316 1.00 61.05 N ATOM 1195 CA VAL A 86 -4.456 -1.145 -10.969 1.00 51.11 C ATOM 1196 C VAL A 86 -5.355 0.084 -10.918 1.00 71.24 C ATOM 1197 O VAL A 86 -4.859 1.209 -10.780 1.00 44.25 O ATOM 1198 CB VAL A 86 -4.515 -1.892 -9.607 1.00 21.11 C ATOM 1199 CG1 VAL A 86 -3.791 -3.237 -9.683 1.00 4.53 C ATOM 1200 CG2 VAL A 86 -3.936 -1.026 -8.490 1.00 23.33 C ATOM 0 H VAL A 86 -2.859 0.193 -10.911 1.00 61.05 H new ATOM 0 HA VAL A 86 -4.790 -1.853 -11.728 1.00 51.11 H new ATOM 0 HB VAL A 86 -5.562 -2.090 -9.378 1.00 21.11 H new ATOM 0 HG11 VAL A 86 -3.849 -3.737 -8.716 1.00 4.53 H new ATOM 0 HG12 VAL A 86 -4.262 -3.861 -10.443 1.00 4.53 H new ATOM 0 HG13 VAL A 86 -2.746 -3.073 -9.945 1.00 4.53 H new ATOM 0 HG21 VAL A 86 -3.987 -1.568 -7.546 1.00 23.33 H new ATOM 0 HG22 VAL A 86 -2.897 -0.788 -8.716 1.00 23.33 H new ATOM 0 HG23 VAL A 86 -4.511 -0.103 -8.410 1.00 23.33 H new ATOM 1210 N ASP A 87 -6.659 -0.119 -11.041 1.00 73.10 N ATOM 1211 CA ASP A 87 -7.604 0.997 -11.044 1.00 32.51 C ATOM 1212 C ASP A 87 -7.617 1.675 -9.680 1.00 23.20 C ATOM 1213 O ASP A 87 -7.611 2.904 -9.575 1.00 22.41 O ATOM 1214 CB ASP A 87 -9.015 0.516 -11.411 1.00 24.53 C ATOM 1215 CG ASP A 87 -9.997 1.668 -11.549 1.00 45.03 C ATOM 1216 OD1 ASP A 87 -10.009 2.316 -12.616 1.00 24.31 O ATOM 1217 OD2 ASP A 87 -10.750 1.942 -10.592 1.00 73.04 O ATOM 0 H ASP A 87 -7.088 -1.039 -11.140 1.00 73.10 H new ATOM 0 HA ASP A 87 -7.283 1.718 -11.796 1.00 32.51 H new ATOM 0 HB2 ASP A 87 -8.975 -0.039 -12.348 1.00 24.53 H new ATOM 0 HB3 ASP A 87 -9.372 -0.174 -10.646 1.00 24.53 H new ATOM 1222 N ASP A 88 -7.621 0.853 -8.640 1.00 44.43 N ATOM 1223 CA ASP A 88 -7.606 1.328 -7.262 1.00 54.41 C ATOM 1224 C ASP A 88 -7.158 0.187 -6.355 1.00 45.54 C ATOM 1225 O ASP A 88 -7.067 -0.958 -6.805 1.00 51.14 O ATOM 1226 CB ASP A 88 -9.001 1.841 -6.858 1.00 65.54 C ATOM 1227 CG ASP A 88 -9.024 2.491 -5.482 1.00 51.42 C ATOM 1228 OD1 ASP A 88 -9.949 2.199 -4.689 1.00 72.13 O ATOM 1229 OD2 ASP A 88 -8.118 3.302 -5.192 1.00 63.31 O ATOM 0 H ASP A 88 -7.635 -0.163 -8.727 1.00 44.43 H new ATOM 0 HA ASP A 88 -6.908 2.159 -7.163 1.00 54.41 H new ATOM 0 HB2 ASP A 88 -9.345 2.562 -7.599 1.00 65.54 H new ATOM 0 HB3 ASP A 88 -9.705 1.009 -6.872 1.00 65.54 H new ATOM 1234 N ILE A 89 -6.859 0.480 -5.098 1.00 53.22 N ATOM 1235 CA ILE A 89 -6.462 -0.561 -4.154 1.00 30.24 C ATOM 1236 C ILE A 89 -7.392 -0.560 -2.954 1.00 15.35 C ATOM 1237 O ILE A 89 -7.912 0.484 -2.560 1.00 3.42 O ATOM 1238 CB ILE A 89 -5.004 -0.403 -3.651 1.00 54.22 C ATOM 1239 CG1 ILE A 89 -4.870 0.839 -2.759 1.00 71.45 C ATOM 1240 CG2 ILE A 89 -4.028 -0.338 -4.826 1.00 22.24 C ATOM 1241 CD1 ILE A 89 -3.526 0.954 -2.078 1.00 12.24 C ATOM 0 H ILE A 89 -6.882 1.422 -4.708 1.00 53.22 H new ATOM 0 HA ILE A 89 -6.527 -1.505 -4.696 1.00 30.24 H new ATOM 0 HB ILE A 89 -4.753 -1.279 -3.053 1.00 54.22 H new ATOM 0 HG12 ILE A 89 -5.039 1.730 -3.364 1.00 71.45 H new ATOM 0 HG13 ILE A 89 -5.652 0.816 -2.000 1.00 71.45 H new ATOM 0 HG21 ILE A 89 -3.011 -0.227 -4.449 1.00 22.24 H new ATOM 0 HG22 ILE A 89 -4.100 -1.255 -5.410 1.00 22.24 H new ATOM 0 HG23 ILE A 89 -4.276 0.515 -5.458 1.00 22.24 H new ATOM 0 HD11 ILE A 89 -3.505 1.855 -1.465 1.00 12.24 H new ATOM 0 HD12 ILE A 89 -3.362 0.081 -1.446 1.00 12.24 H new ATOM 0 HD13 ILE A 89 -2.740 1.009 -2.831 1.00 12.24 H new ATOM 1253 N ARG A 90 -7.605 -1.734 -2.388 1.00 40.05 N ATOM 1254 CA ARG A 90 -8.412 -1.876 -1.192 1.00 22.14 C ATOM 1255 C ARG A 90 -7.542 -2.468 -0.090 1.00 30.31 C ATOM 1256 O ARG A 90 -7.202 -3.652 -0.128 1.00 22.45 O ATOM 1257 CB ARG A 90 -9.604 -2.794 -1.490 1.00 40.33 C ATOM 1258 CG ARG A 90 -10.792 -2.636 -0.550 1.00 11.32 C ATOM 1259 CD ARG A 90 -11.432 -1.263 -0.698 1.00 22.23 C ATOM 1260 NE ARG A 90 -11.836 -0.973 -2.084 1.00 44.22 N ATOM 1261 CZ ARG A 90 -11.348 0.039 -2.817 1.00 61.23 C ATOM 1262 NH1 ARG A 90 -10.464 0.882 -2.297 1.00 32.31 N ATOM 1263 NH2 ARG A 90 -11.755 0.216 -4.065 1.00 71.31 N ATOM 0 H ARG A 90 -7.225 -2.611 -2.743 1.00 40.05 H new ATOM 0 HA ARG A 90 -8.794 -0.907 -0.869 1.00 22.14 H new ATOM 0 HB2 ARG A 90 -9.940 -2.608 -2.510 1.00 40.33 H new ATOM 0 HB3 ARG A 90 -9.264 -3.829 -1.451 1.00 40.33 H new ATOM 0 HG2 ARG A 90 -11.531 -3.409 -0.760 1.00 11.32 H new ATOM 0 HG3 ARG A 90 -10.466 -2.779 0.480 1.00 11.32 H new ATOM 0 HD2 ARG A 90 -12.305 -1.201 -0.048 1.00 22.23 H new ATOM 0 HD3 ARG A 90 -10.730 -0.501 -0.361 1.00 22.23 H new ATOM 0 HE ARG A 90 -12.532 -1.581 -2.515 1.00 44.22 H new ATOM 0 HH11 ARG A 90 -10.151 0.763 -1.334 1.00 32.31 H new ATOM 0 HH12 ARG A 90 -10.098 1.649 -2.861 1.00 32.31 H new ATOM 0 HH21 ARG A 90 -12.442 -0.418 -4.472 1.00 71.31 H new ATOM 0 HH22 ARG A 90 -11.381 0.987 -4.619 1.00 71.31 H new ATOM 1277 N ILE A 91 -7.165 -1.641 0.874 1.00 71.25 N ATOM 1278 CA ILE A 91 -6.282 -2.069 1.949 1.00 3.13 C ATOM 1279 C ILE A 91 -7.085 -2.529 3.160 1.00 22.15 C ATOM 1280 O ILE A 91 -8.163 -2.003 3.438 1.00 24.42 O ATOM 1281 CB ILE A 91 -5.321 -0.930 2.383 1.00 24.03 C ATOM 1282 CG1 ILE A 91 -4.527 -0.402 1.174 1.00 51.32 C ATOM 1283 CG2 ILE A 91 -4.369 -1.412 3.479 1.00 45.04 C ATOM 1284 CD1 ILE A 91 -3.550 0.704 1.522 1.00 71.15 C ATOM 0 H ILE A 91 -7.458 -0.666 0.934 1.00 71.25 H new ATOM 0 HA ILE A 91 -5.692 -2.901 1.564 1.00 3.13 H new ATOM 0 HB ILE A 91 -5.921 -0.114 2.786 1.00 24.03 H new ATOM 0 HG12 ILE A 91 -3.980 -1.229 0.721 1.00 51.32 H new ATOM 0 HG13 ILE A 91 -5.227 -0.034 0.424 1.00 51.32 H new ATOM 0 HG21 ILE A 91 -3.705 -0.598 3.768 1.00 45.04 H new ATOM 0 HG22 ILE A 91 -4.946 -1.735 4.346 1.00 45.04 H new ATOM 0 HG23 ILE A 91 -3.777 -2.248 3.105 1.00 45.04 H new ATOM 0 HD11 ILE A 91 -3.028 1.025 0.621 1.00 71.15 H new ATOM 0 HD12 ILE A 91 -4.093 1.548 1.947 1.00 71.15 H new ATOM 0 HD13 ILE A 91 -2.826 0.335 2.249 1.00 71.15 H new ATOM 1296 N ASN A 92 -6.560 -3.530 3.853 1.00 54.04 N ATOM 1297 CA ASN A 92 -7.114 -3.978 5.124 1.00 45.14 C ATOM 1298 C ASN A 92 -6.062 -3.798 6.211 1.00 61.35 C ATOM 1299 O ASN A 92 -4.879 -4.032 5.974 1.00 3.12 O ATOM 1300 CB ASN A 92 -7.544 -5.451 5.042 1.00 71.20 C ATOM 1301 CG ASN A 92 -8.046 -5.988 6.376 1.00 63.03 C ATOM 1302 OD1 ASN A 92 -9.236 -5.911 6.686 1.00 13.51 O ATOM 1303 ND2 ASN A 92 -7.145 -6.544 7.168 1.00 23.53 N ATOM 0 H ASN A 92 -5.739 -4.054 3.551 1.00 54.04 H new ATOM 0 HA ASN A 92 -7.996 -3.383 5.361 1.00 45.14 H new ATOM 0 HB2 ASN A 92 -8.329 -5.556 4.293 1.00 71.20 H new ATOM 0 HB3 ASN A 92 -6.701 -6.054 4.706 1.00 71.20 H new ATOM 0 HD21 ASN A 92 -7.426 -6.928 8.070 1.00 23.53 H new ATOM 0 HD22 ASN A 92 -6.169 -6.589 6.877 1.00 23.53 H new ATOM 1310 N TRP A 93 -6.485 -3.350 7.384 1.00 2.40 N ATOM 1311 CA TRP A 93 -5.574 -3.185 8.514 1.00 45.33 C ATOM 1312 C TRP A 93 -5.822 -4.287 9.542 1.00 34.41 C ATOM 1313 O TRP A 93 -6.839 -4.266 10.232 1.00 45.01 O ATOM 1314 CB TRP A 93 -5.771 -1.810 9.179 1.00 34.43 C ATOM 1315 CG TRP A 93 -5.672 -0.636 8.236 1.00 24.43 C ATOM 1316 CD1 TRP A 93 -6.640 0.299 7.983 1.00 62.43 C ATOM 1317 CD2 TRP A 93 -4.546 -0.268 7.422 1.00 54.11 C ATOM 1318 NE1 TRP A 93 -6.179 1.222 7.073 1.00 34.22 N ATOM 1319 CE2 TRP A 93 -4.905 0.893 6.712 1.00 71.31 C ATOM 1320 CE3 TRP A 93 -3.274 -0.805 7.224 1.00 5.12 C ATOM 1321 CZ2 TRP A 93 -4.039 1.524 5.823 1.00 35.12 C ATOM 1322 CZ3 TRP A 93 -2.417 -0.176 6.340 1.00 13.12 C ATOM 1323 CH2 TRP A 93 -2.803 0.975 5.649 1.00 11.54 C ATOM 0 H TRP A 93 -7.452 -3.094 7.581 1.00 2.40 H new ATOM 0 HA TRP A 93 -4.551 -3.250 8.143 1.00 45.33 H new ATOM 0 HB2 TRP A 93 -6.749 -1.791 9.661 1.00 34.43 H new ATOM 0 HB3 TRP A 93 -5.026 -1.691 9.965 1.00 34.43 H new ATOM 0 HD1 TRP A 93 -7.622 0.310 8.432 1.00 62.43 H new ATOM 0 HE1 TRP A 93 -6.705 2.023 6.724 1.00 34.22 H new ATOM 0 HE3 TRP A 93 -2.964 -1.695 7.751 1.00 5.12 H new ATOM 0 HZ2 TRP A 93 -4.335 2.416 5.291 1.00 35.12 H new ATOM 0 HZ3 TRP A 93 -1.429 -0.583 6.181 1.00 13.12 H new ATOM 0 HH2 TRP A 93 -2.109 1.439 4.964 1.00 11.54 H new ATOM 1334 N VAL A 94 -4.916 -5.262 9.641 1.00 41.52 N ATOM 1335 CA VAL A 94 -5.060 -6.293 10.674 1.00 63.35 C ATOM 1336 C VAL A 94 -4.404 -5.826 11.967 1.00 51.31 C ATOM 1337 O VAL A 94 -3.220 -5.488 11.990 1.00 24.13 O ATOM 1338 CB VAL A 94 -4.436 -7.655 10.268 1.00 73.22 C ATOM 1339 CG1 VAL A 94 -4.723 -8.725 11.323 1.00 15.22 C ATOM 1340 CG2 VAL A 94 -4.936 -8.106 8.898 1.00 53.24 C ATOM 0 H VAL A 94 -4.098 -5.361 9.039 1.00 41.52 H new ATOM 0 HA VAL A 94 -6.131 -6.445 10.809 1.00 63.35 H new ATOM 0 HB VAL A 94 -3.357 -7.517 10.205 1.00 73.22 H new ATOM 0 HG11 VAL A 94 -4.275 -9.670 11.014 1.00 15.22 H new ATOM 0 HG12 VAL A 94 -4.298 -8.417 12.278 1.00 15.22 H new ATOM 0 HG13 VAL A 94 -5.800 -8.852 11.429 1.00 15.22 H new ATOM 0 HG21 VAL A 94 -4.481 -9.063 8.642 1.00 53.24 H new ATOM 0 HG22 VAL A 94 -6.020 -8.215 8.924 1.00 53.24 H new ATOM 0 HG23 VAL A 94 -4.664 -7.363 8.149 1.00 53.24 H new ATOM 1350 N TRP A 95 -5.180 -5.810 13.041 1.00 4.43 N ATOM 1351 CA TRP A 95 -4.671 -5.434 14.360 1.00 45.11 C ATOM 1352 C TRP A 95 -5.274 -6.313 15.453 1.00 5.45 C ATOM 1353 O TRP A 95 -4.931 -6.174 16.628 1.00 43.32 O ATOM 1354 CB TRP A 95 -4.964 -3.949 14.627 1.00 70.00 C ATOM 1355 CG TRP A 95 -6.404 -3.566 14.420 1.00 62.15 C ATOM 1356 CD1 TRP A 95 -7.075 -3.528 13.232 1.00 64.04 C ATOM 1357 CD2 TRP A 95 -7.338 -3.144 15.421 1.00 4.13 C ATOM 1358 NE1 TRP A 95 -8.372 -3.137 13.433 1.00 64.44 N ATOM 1359 CE2 TRP A 95 -8.559 -2.886 14.767 1.00 25.12 C ATOM 1360 CE3 TRP A 95 -7.267 -2.963 16.806 1.00 3.14 C ATOM 1361 CZ2 TRP A 95 -9.697 -2.460 15.450 1.00 24.41 C ATOM 1362 CZ3 TRP A 95 -8.396 -2.538 17.483 1.00 30.11 C ATOM 1363 CH2 TRP A 95 -9.595 -2.289 16.805 1.00 63.03 C ATOM 0 H TRP A 95 -6.170 -6.054 13.028 1.00 4.43 H new ATOM 0 HA TRP A 95 -3.592 -5.588 14.374 1.00 45.11 H new ATOM 0 HB2 TRP A 95 -4.678 -3.711 15.652 1.00 70.00 H new ATOM 0 HB3 TRP A 95 -4.339 -3.342 13.972 1.00 70.00 H new ATOM 0 HD1 TRP A 95 -6.645 -3.771 12.272 1.00 64.04 H new ATOM 0 HE1 TRP A 95 -9.083 -3.047 12.707 1.00 64.44 H new ATOM 0 HE3 TRP A 95 -6.346 -3.152 17.338 1.00 3.14 H new ATOM 0 HZ2 TRP A 95 -10.625 -2.272 14.930 1.00 24.41 H new ATOM 0 HZ3 TRP A 95 -8.352 -2.396 18.553 1.00 30.11 H new ATOM 0 HH2 TRP A 95 -10.458 -1.955 17.362 1.00 63.03 H new ATOM 1374 N ASN A 96 -6.138 -7.245 15.046 1.00 20.34 N ATOM 1375 CA ASN A 96 -6.886 -8.100 15.977 1.00 33.44 C ATOM 1376 C ASN A 96 -8.002 -8.848 15.238 1.00 14.05 C ATOM 1377 O ASN A 96 -8.052 -10.080 15.277 1.00 44.11 O ATOM 1378 CB ASN A 96 -7.489 -7.294 17.152 1.00 1.25 C ATOM 1379 CG ASN A 96 -8.319 -8.149 18.105 1.00 53.44 C ATOM 1380 OD1 ASN A 96 -9.343 -7.699 18.621 1.00 42.43 O ATOM 1381 ND2 ASN A 96 -7.874 -9.367 18.376 1.00 34.00 N ATOM 0 H ASN A 96 -6.340 -7.430 14.064 1.00 20.34 H new ATOM 0 HA ASN A 96 -6.177 -8.817 16.392 1.00 33.44 H new ATOM 0 HB2 ASN A 96 -6.682 -6.819 17.710 1.00 1.25 H new ATOM 0 HB3 ASN A 96 -8.114 -6.495 16.753 1.00 1.25 H new ATOM 0 HD21 ASN A 96 -8.383 -9.962 19.029 1.00 34.00 H new ATOM 0 HD22 ASN A 96 -7.022 -9.709 17.931 1.00 34.00 H new ATOM 1388 N PRO A 97 -8.916 -8.127 14.538 1.00 53.23 N ATOM 1389 CA PRO A 97 -10.033 -8.763 13.839 1.00 32.24 C ATOM 1390 C PRO A 97 -9.607 -9.334 12.487 1.00 54.52 C ATOM 1391 O PRO A 97 -8.598 -8.906 11.917 1.00 33.14 O ATOM 1392 CB PRO A 97 -11.022 -7.606 13.657 1.00 4.23 C ATOM 1393 CG PRO A 97 -10.156 -6.402 13.502 1.00 54.44 C ATOM 1394 CD PRO A 97 -8.931 -6.653 14.350 1.00 2.25 C ATOM 0 HA PRO A 97 -10.446 -9.611 14.385 1.00 32.24 H new ATOM 0 HB2 PRO A 97 -11.654 -7.757 12.782 1.00 4.23 H new ATOM 0 HB3 PRO A 97 -11.685 -7.511 14.517 1.00 4.23 H new ATOM 0 HG2 PRO A 97 -9.882 -6.251 12.458 1.00 54.44 H new ATOM 0 HG3 PRO A 97 -10.678 -5.502 13.828 1.00 54.44 H new ATOM 0 HD2 PRO A 97 -8.025 -6.305 13.854 1.00 2.25 H new ATOM 0 HD3 PRO A 97 -8.993 -6.130 15.304 1.00 2.25 H new ATOM 1402 N PRO A 98 -10.351 -10.327 11.966 1.00 1.11 N ATOM 1403 CA PRO A 98 -10.087 -10.886 10.639 1.00 10.42 C ATOM 1404 C PRO A 98 -10.437 -9.893 9.528 1.00 13.53 C ATOM 1405 O PRO A 98 -11.055 -8.853 9.778 1.00 31.25 O ATOM 1406 CB PRO A 98 -10.997 -12.122 10.583 1.00 34.44 C ATOM 1407 CG PRO A 98 -12.109 -11.811 11.529 1.00 13.44 C ATOM 1408 CD PRO A 98 -11.495 -10.987 12.630 1.00 12.20 C ATOM 0 HA PRO A 98 -9.034 -11.123 10.487 1.00 10.42 H new ATOM 0 HB2 PRO A 98 -11.371 -12.294 9.574 1.00 34.44 H new ATOM 0 HB3 PRO A 98 -10.462 -13.023 10.882 1.00 34.44 H new ATOM 0 HG2 PRO A 98 -12.906 -11.262 11.028 1.00 13.44 H new ATOM 0 HG3 PRO A 98 -12.552 -12.725 11.925 1.00 13.44 H new ATOM 0 HD2 PRO A 98 -12.202 -10.260 13.030 1.00 12.20 H new ATOM 0 HD3 PRO A 98 -11.171 -11.609 13.465 1.00 12.20 H new ATOM 1416 N TRP A 99 -10.045 -10.225 8.305 1.00 72.11 N ATOM 1417 CA TRP A 99 -10.264 -9.357 7.153 1.00 44.44 C ATOM 1418 C TRP A 99 -11.760 -9.126 6.936 1.00 2.32 C ATOM 1419 O TRP A 99 -12.466 -9.996 6.420 1.00 43.34 O ATOM 1420 CB TRP A 99 -9.621 -9.976 5.906 1.00 62.14 C ATOM 1421 CG TRP A 99 -8.191 -10.373 6.134 1.00 22.43 C ATOM 1422 CD1 TRP A 99 -7.099 -9.558 6.105 1.00 14.12 C ATOM 1423 CD2 TRP A 99 -7.704 -11.684 6.443 1.00 24.52 C ATOM 1424 NE1 TRP A 99 -5.967 -10.279 6.382 1.00 62.15 N ATOM 1425 CE2 TRP A 99 -6.309 -11.585 6.589 1.00 73.11 C ATOM 1426 CE3 TRP A 99 -8.312 -12.932 6.612 1.00 35.43 C ATOM 1427 CZ2 TRP A 99 -5.512 -12.684 6.894 1.00 2.01 C ATOM 1428 CZ3 TRP A 99 -7.519 -14.023 6.913 1.00 62.44 C ATOM 1429 CH2 TRP A 99 -6.131 -13.892 7.054 1.00 44.24 C ATOM 0 H TRP A 99 -9.568 -11.099 8.083 1.00 72.11 H new ATOM 0 HA TRP A 99 -9.798 -8.390 7.342 1.00 44.44 H new ATOM 0 HB2 TRP A 99 -10.194 -10.852 5.602 1.00 62.14 H new ATOM 0 HB3 TRP A 99 -9.670 -9.262 5.084 1.00 62.14 H new ATOM 0 HD1 TRP A 99 -7.122 -8.499 5.895 1.00 14.12 H new ATOM 0 HE1 TRP A 99 -5.021 -9.901 6.426 1.00 62.15 H new ATOM 0 HE3 TRP A 99 -9.382 -13.041 6.509 1.00 35.43 H new ATOM 0 HZ2 TRP A 99 -4.442 -12.586 7.001 1.00 2.01 H new ATOM 0 HZ3 TRP A 99 -7.977 -14.993 7.042 1.00 62.44 H new ATOM 0 HH2 TRP A 99 -5.539 -14.763 7.294 1.00 44.24 H new ATOM 1440 N GLY A 100 -12.239 -7.960 7.360 1.00 60.02 N ATOM 1441 CA GLY A 100 -13.647 -7.628 7.228 1.00 63.42 C ATOM 1442 C GLY A 100 -13.903 -6.133 7.330 1.00 24.04 C ATOM 1443 O GLY A 100 -13.987 -5.449 6.308 1.00 62.33 O ATOM 0 H GLY A 100 -11.671 -7.233 7.796 1.00 60.02 H new ATOM 0 HA2 GLY A 100 -14.015 -7.992 6.269 1.00 63.42 H new ATOM 0 HA3 GLY A 100 -14.213 -8.144 8.003 1.00 63.42 H new ATOM 1447 N PRO A 101 -14.017 -5.591 8.555 1.00 31.34 N ATOM 1448 CA PRO A 101 -14.319 -4.166 8.770 1.00 35.43 C ATOM 1449 C PRO A 101 -13.240 -3.250 8.185 1.00 43.30 C ATOM 1450 O PRO A 101 -13.528 -2.346 7.394 1.00 60.11 O ATOM 1451 CB PRO A 101 -14.375 -4.034 10.306 1.00 43.32 C ATOM 1452 CG PRO A 101 -14.566 -5.426 10.811 1.00 21.42 C ATOM 1453 CD PRO A 101 -13.858 -6.316 9.829 1.00 64.25 C ATOM 0 HA PRO A 101 -15.243 -3.866 8.275 1.00 35.43 H new ATOM 0 HB2 PRO A 101 -13.457 -3.595 10.697 1.00 43.32 H new ATOM 0 HB3 PRO A 101 -15.195 -3.386 10.616 1.00 43.32 H new ATOM 0 HG2 PRO A 101 -14.151 -5.540 11.812 1.00 21.42 H new ATOM 0 HG3 PRO A 101 -15.625 -5.678 10.875 1.00 21.42 H new ATOM 0 HD2 PRO A 101 -12.808 -6.450 10.089 1.00 64.25 H new ATOM 0 HD3 PRO A 101 -14.306 -7.309 9.788 1.00 64.25 H new ATOM 1461 N ASP A 102 -11.994 -3.523 8.554 1.00 64.33 N ATOM 1462 CA ASP A 102 -10.848 -2.699 8.159 1.00 23.41 C ATOM 1463 C ASP A 102 -10.617 -2.705 6.645 1.00 62.45 C ATOM 1464 O ASP A 102 -9.742 -1.997 6.150 1.00 52.24 O ATOM 1465 CB ASP A 102 -9.586 -3.146 8.905 1.00 64.44 C ATOM 1466 CG ASP A 102 -9.680 -2.873 10.400 1.00 31.30 C ATOM 1467 OD1 ASP A 102 -9.177 -1.821 10.857 1.00 24.41 O ATOM 1468 OD2 ASP A 102 -10.290 -3.689 11.124 1.00 31.05 O ATOM 0 H ASP A 102 -11.745 -4.322 9.137 1.00 64.33 H new ATOM 0 HA ASP A 102 -11.079 -1.671 8.437 1.00 23.41 H new ATOM 0 HB2 ASP A 102 -9.426 -4.212 8.740 1.00 64.44 H new ATOM 0 HB3 ASP A 102 -8.720 -2.627 8.495 1.00 64.44 H new ATOM 1473 N LYS A 103 -11.404 -3.496 5.914 1.00 74.12 N ATOM 1474 CA LYS A 103 -11.320 -3.529 4.450 1.00 34.13 C ATOM 1475 C LYS A 103 -11.990 -2.291 3.846 1.00 51.32 C ATOM 1476 O LYS A 103 -11.914 -2.063 2.634 1.00 62.54 O ATOM 1477 CB LYS A 103 -11.985 -4.802 3.896 1.00 42.44 C ATOM 1478 CG LYS A 103 -11.253 -6.093 4.253 1.00 32.42 C ATOM 1479 CD LYS A 103 -12.021 -7.337 3.808 1.00 1.50 C ATOM 1480 CE LYS A 103 -12.269 -7.368 2.301 1.00 33.51 C ATOM 1481 NZ LYS A 103 -12.947 -8.624 1.878 1.00 44.34 N ATOM 0 H LYS A 103 -12.106 -4.122 6.309 1.00 74.12 H new ATOM 0 HA LYS A 103 -10.266 -3.533 4.173 1.00 34.13 H new ATOM 0 HB2 LYS A 103 -13.006 -4.859 4.274 1.00 42.44 H new ATOM 0 HB3 LYS A 103 -12.050 -4.722 2.811 1.00 42.44 H new ATOM 0 HG2 LYS A 103 -10.268 -6.091 3.786 1.00 32.42 H new ATOM 0 HG3 LYS A 103 -11.095 -6.132 5.331 1.00 32.42 H new ATOM 0 HD2 LYS A 103 -11.463 -8.227 4.099 1.00 1.50 H new ATOM 0 HD3 LYS A 103 -12.977 -7.375 4.330 1.00 1.50 H new ATOM 0 HE2 LYS A 103 -12.880 -6.511 2.015 1.00 33.51 H new ATOM 0 HE3 LYS A 103 -11.319 -7.272 1.774 1.00 33.51 H new ATOM 0 HZ1 LYS A 103 -13.098 -8.607 0.849 1.00 44.34 H new ATOM 0 HZ2 LYS A 103 -12.353 -9.440 2.128 1.00 44.34 H new ATOM 0 HZ3 LYS A 103 -13.865 -8.703 2.361 1.00 44.34 H new ATOM 1495 N ILE A 104 -12.659 -1.502 4.693 1.00 1.00 N ATOM 1496 CA ILE A 104 -13.261 -0.243 4.261 1.00 12.21 C ATOM 1497 C ILE A 104 -12.194 0.851 4.201 1.00 21.21 C ATOM 1498 O ILE A 104 -11.773 1.378 5.231 1.00 75.20 O ATOM 1499 CB ILE A 104 -14.413 0.208 5.201 1.00 43.14 C ATOM 1500 CG1 ILE A 104 -15.517 -0.864 5.252 1.00 44.20 C ATOM 1501 CG2 ILE A 104 -14.995 1.551 4.744 1.00 61.21 C ATOM 1502 CD1 ILE A 104 -16.670 -0.512 6.170 1.00 45.32 C ATOM 0 H ILE A 104 -12.796 -1.716 5.681 1.00 1.00 H new ATOM 0 HA ILE A 104 -13.685 -0.408 3.270 1.00 12.21 H new ATOM 0 HB ILE A 104 -14.004 0.336 6.203 1.00 43.14 H new ATOM 0 HG12 ILE A 104 -15.902 -1.023 4.245 1.00 44.20 H new ATOM 0 HG13 ILE A 104 -15.080 -1.807 5.579 1.00 44.20 H new ATOM 0 HG21 ILE A 104 -15.800 1.847 5.417 1.00 61.21 H new ATOM 0 HG22 ILE A 104 -14.213 2.310 4.758 1.00 61.21 H new ATOM 0 HG23 ILE A 104 -15.387 1.452 3.732 1.00 61.21 H new ATOM 0 HD11 ILE A 104 -17.407 -1.315 6.153 1.00 45.32 H new ATOM 0 HD12 ILE A 104 -16.299 -0.382 7.187 1.00 45.32 H new ATOM 0 HD13 ILE A 104 -17.135 0.414 5.832 1.00 45.32 H new ATOM 1514 N THR A 105 -11.749 1.168 2.991 1.00 2.44 N ATOM 1515 CA THR A 105 -10.712 2.169 2.774 1.00 72.00 C ATOM 1516 C THR A 105 -11.212 3.589 3.061 1.00 54.51 C ATOM 1517 O THR A 105 -12.397 3.803 3.349 1.00 2.14 O ATOM 1518 CB THR A 105 -10.179 2.076 1.326 1.00 72.44 C ATOM 1519 OG1 THR A 105 -11.271 1.854 0.415 1.00 22.22 O ATOM 1520 CG2 THR A 105 -9.164 0.949 1.188 1.00 43.33 C ATOM 0 H THR A 105 -12.097 0.739 2.133 1.00 2.44 H new ATOM 0 HA THR A 105 -9.904 1.959 3.475 1.00 72.00 H new ATOM 0 HB THR A 105 -9.686 3.018 1.085 1.00 72.44 H new ATOM 0 HG1 THR A 105 -11.382 2.640 -0.160 1.00 22.22 H new ATOM 0 HG21 THR A 105 -8.805 0.906 0.160 1.00 43.33 H new ATOM 0 HG22 THR A 105 -8.324 1.132 1.858 1.00 43.33 H new ATOM 0 HG23 THR A 105 -9.635 0.001 1.448 1.00 43.33 H new ATOM 1528 N GLU A 106 -10.299 4.557 2.952 1.00 71.45 N ATOM 1529 CA GLU A 106 -10.583 5.960 3.257 1.00 4.05 C ATOM 1530 C GLU A 106 -11.794 6.489 2.479 1.00 34.34 C ATOM 1531 O GLU A 106 -12.409 7.476 2.880 1.00 74.24 O ATOM 1532 CB GLU A 106 -9.348 6.825 2.979 1.00 44.45 C ATOM 1533 CG GLU A 106 -8.209 6.622 3.983 1.00 75.25 C ATOM 1534 CD GLU A 106 -8.572 7.076 5.392 1.00 23.43 C ATOM 1535 OE1 GLU A 106 -8.929 8.264 5.561 1.00 63.13 O ATOM 1536 OE2 GLU A 106 -8.491 6.260 6.338 1.00 53.24 O ATOM 0 H GLU A 106 -9.340 4.389 2.649 1.00 71.45 H new ATOM 0 HA GLU A 106 -10.831 6.018 4.317 1.00 4.05 H new ATOM 0 HB2 GLU A 106 -8.980 6.604 1.977 1.00 44.45 H new ATOM 0 HB3 GLU A 106 -9.643 7.874 2.986 1.00 44.45 H new ATOM 0 HG2 GLU A 106 -7.935 5.567 4.006 1.00 75.25 H new ATOM 0 HG3 GLU A 106 -7.331 7.172 3.645 1.00 75.25 H new ATOM 1543 N ASP A 107 -12.135 5.824 1.376 1.00 32.42 N ATOM 1544 CA ASP A 107 -13.269 6.230 0.541 1.00 23.31 C ATOM 1545 C ASP A 107 -14.551 6.280 1.372 1.00 34.41 C ATOM 1546 O ASP A 107 -15.262 7.286 1.381 1.00 21.30 O ATOM 1547 CB ASP A 107 -13.454 5.246 -0.628 1.00 71.23 C ATOM 1548 CG ASP A 107 -12.190 5.067 -1.453 1.00 73.42 C ATOM 1549 OD1 ASP A 107 -11.293 4.321 -1.014 1.00 42.10 O ATOM 1550 OD2 ASP A 107 -12.082 5.668 -2.541 1.00 3.22 O ATOM 0 H ASP A 107 -11.641 4.998 1.037 1.00 32.42 H new ATOM 0 HA ASP A 107 -13.061 7.223 0.143 1.00 23.31 H new ATOM 0 HB2 ASP A 107 -13.767 4.278 -0.236 1.00 71.23 H new ATOM 0 HB3 ASP A 107 -14.256 5.603 -1.274 1.00 71.23 H new ATOM 1555 N GLY A 108 -14.821 5.192 2.087 1.00 70.32 N ATOM 1556 CA GLY A 108 -15.995 5.119 2.941 1.00 44.10 C ATOM 1557 C GLY A 108 -15.833 5.954 4.197 1.00 75.53 C ATOM 1558 O GLY A 108 -16.812 6.421 4.777 1.00 22.24 O ATOM 0 H GLY A 108 -14.242 4.352 2.090 1.00 70.32 H new ATOM 0 HA2 GLY A 108 -16.869 5.462 2.387 1.00 44.10 H new ATOM 0 HA3 GLY A 108 -16.180 4.081 3.217 1.00 44.10 H new ATOM 1562 N ARG A 109 -14.584 6.124 4.616 1.00 53.04 N ATOM 1563 CA ARG A 109 -14.252 6.892 5.814 1.00 52.00 C ATOM 1564 C ARG A 109 -14.607 8.372 5.644 1.00 73.51 C ATOM 1565 O ARG A 109 -15.282 8.960 6.489 1.00 12.34 O ATOM 1566 CB ARG A 109 -12.754 6.741 6.111 1.00 60.01 C ATOM 1567 CG ARG A 109 -12.348 5.338 6.566 1.00 13.14 C ATOM 1568 CD ARG A 109 -12.640 5.123 8.045 1.00 53.25 C ATOM 1569 NE ARG A 109 -11.765 5.949 8.883 1.00 41.13 N ATOM 1570 CZ ARG A 109 -12.185 6.941 9.670 1.00 23.25 C ATOM 1571 NH1 ARG A 109 -13.470 7.256 9.730 1.00 21.35 N ATOM 1572 NH2 ARG A 109 -11.306 7.624 10.387 1.00 45.13 N ATOM 0 H ARG A 109 -13.773 5.734 4.136 1.00 53.04 H new ATOM 0 HA ARG A 109 -14.837 6.505 6.648 1.00 52.00 H new ATOM 0 HB2 ARG A 109 -12.189 6.999 5.215 1.00 60.01 H new ATOM 0 HB3 ARG A 109 -12.473 7.458 6.883 1.00 60.01 H new ATOM 0 HG2 ARG A 109 -12.884 4.594 5.977 1.00 13.14 H new ATOM 0 HG3 ARG A 109 -11.285 5.187 6.379 1.00 13.14 H new ATOM 0 HD2 ARG A 109 -13.682 5.367 8.252 1.00 53.25 H new ATOM 0 HD3 ARG A 109 -12.502 4.071 8.297 1.00 53.25 H new ATOM 0 HE ARG A 109 -10.765 5.751 8.863 1.00 41.13 H new ATOM 0 HH11 ARG A 109 -14.149 6.738 9.171 1.00 21.35 H new ATOM 0 HH12 ARG A 109 -13.781 8.016 10.335 1.00 21.35 H new ATOM 0 HH21 ARG A 109 -10.314 7.391 10.336 1.00 45.13 H new ATOM 0 HH22 ARG A 109 -11.620 8.384 10.991 1.00 45.13 H new ATOM 1586 N GLU A 110 -14.146 8.962 4.548 1.00 23.43 N ATOM 1587 CA GLU A 110 -14.297 10.398 4.313 1.00 44.32 C ATOM 1588 C GLU A 110 -15.686 10.745 3.784 1.00 13.43 C ATOM 1589 O GLU A 110 -16.323 11.698 4.243 1.00 51.02 O ATOM 1590 CB GLU A 110 -13.223 10.872 3.322 1.00 10.11 C ATOM 1591 CG GLU A 110 -13.267 12.367 3.006 1.00 10.30 C ATOM 1592 CD GLU A 110 -12.998 13.241 4.225 1.00 73.53 C ATOM 1593 OE1 GLU A 110 -11.819 13.412 4.592 1.00 62.31 O ATOM 1594 OE2 GLU A 110 -13.964 13.779 4.812 1.00 1.21 O ATOM 0 H GLU A 110 -13.660 8.466 3.801 1.00 23.43 H new ATOM 0 HA GLU A 110 -14.173 10.910 5.267 1.00 44.32 H new ATOM 0 HB2 GLU A 110 -12.241 10.628 3.726 1.00 10.11 H new ATOM 0 HB3 GLU A 110 -13.333 10.314 2.392 1.00 10.11 H new ATOM 0 HG2 GLU A 110 -12.530 12.592 2.235 1.00 10.30 H new ATOM 0 HG3 GLU A 110 -14.245 12.617 2.595 1.00 10.30 H new ATOM 1601 N GLN A 111 -16.162 9.964 2.831 1.00 33.43 N ATOM 1602 CA GLN A 111 -17.349 10.332 2.076 1.00 73.11 C ATOM 1603 C GLN A 111 -18.608 9.690 2.659 1.00 24.11 C ATOM 1604 O GLN A 111 -18.760 8.467 2.656 1.00 2.14 O ATOM 1605 CB GLN A 111 -17.147 9.936 0.614 1.00 62.41 C ATOM 1606 CG GLN A 111 -15.779 10.357 0.078 1.00 25.41 C ATOM 1607 CD GLN A 111 -15.620 10.145 -1.418 1.00 70.53 C ATOM 1608 OE1 GLN A 111 -16.586 10.231 -2.175 1.00 41.43 O ATOM 1609 NE2 GLN A 111 -14.400 9.865 -1.852 1.00 5.44 N ATOM 0 H GLN A 111 -15.747 9.072 2.561 1.00 33.43 H new ATOM 0 HA GLN A 111 -17.494 11.410 2.141 1.00 73.11 H new ATOM 0 HB2 GLN A 111 -17.256 8.856 0.515 1.00 62.41 H new ATOM 0 HB3 GLN A 111 -17.928 10.392 0.006 1.00 62.41 H new ATOM 0 HG2 GLN A 111 -15.617 11.410 0.306 1.00 25.41 H new ATOM 0 HG3 GLN A 111 -15.005 9.795 0.600 1.00 25.41 H new ATOM 0 HE21 GLN A 111 -13.625 9.803 -1.191 1.00 5.44 H new ATOM 0 HE22 GLN A 111 -14.235 9.712 -2.847 1.00 5.44 H new ATOM 1618 N LEU A 112 -19.505 10.541 3.154 1.00 33.03 N ATOM 1619 CA LEU A 112 -20.766 10.110 3.761 1.00 74.54 C ATOM 1620 C LEU A 112 -21.918 10.964 3.224 1.00 1.22 C ATOM 1621 O LEU A 112 -21.684 12.012 2.616 1.00 31.20 O ATOM 1622 CB LEU A 112 -20.698 10.208 5.299 1.00 24.34 C ATOM 1623 CG LEU A 112 -20.622 11.631 5.897 1.00 32.14 C ATOM 1624 CD1 LEU A 112 -20.757 11.581 7.418 1.00 65.31 C ATOM 1625 CD2 LEU A 112 -19.323 12.335 5.507 1.00 74.40 C ATOM 0 H LEU A 112 -19.378 11.553 3.146 1.00 33.03 H new ATOM 0 HA LEU A 112 -20.940 9.067 3.497 1.00 74.54 H new ATOM 0 HB2 LEU A 112 -21.576 9.711 5.712 1.00 24.34 H new ATOM 0 HB3 LEU A 112 -19.826 9.648 5.638 1.00 24.34 H new ATOM 0 HG LEU A 112 -21.452 12.205 5.485 1.00 32.14 H new ATOM 0 HD11 LEU A 112 -20.701 12.592 7.822 1.00 65.31 H new ATOM 0 HD12 LEU A 112 -21.716 11.137 7.684 1.00 65.31 H new ATOM 0 HD13 LEU A 112 -19.950 10.979 7.835 1.00 65.31 H new ATOM 0 HD21 LEU A 112 -19.304 13.333 5.945 1.00 74.40 H new ATOM 0 HD22 LEU A 112 -18.473 11.761 5.876 1.00 74.40 H new ATOM 0 HD23 LEU A 112 -19.264 12.414 4.421 1.00 74.40 H new ATOM 1637 N ARG A 113 -23.159 10.535 3.462 1.00 23.13 N ATOM 1638 CA ARG A 113 -24.327 11.237 2.918 1.00 65.34 C ATOM 1639 C ARG A 113 -24.483 12.625 3.547 1.00 73.12 C ATOM 1640 O ARG A 113 -24.951 13.560 2.894 1.00 43.22 O ATOM 1641 CB ARG A 113 -25.623 10.422 3.097 1.00 73.11 C ATOM 1642 CG ARG A 113 -25.724 9.193 2.185 1.00 33.21 C ATOM 1643 CD ARG A 113 -24.943 8.002 2.728 1.00 13.14 C ATOM 1644 NE ARG A 113 -24.775 6.939 1.731 1.00 22.34 N ATOM 1645 CZ ARG A 113 -25.755 6.152 1.279 1.00 22.54 C ATOM 1646 NH1 ARG A 113 -26.996 6.282 1.735 1.00 64.00 N ATOM 1647 NH2 ARG A 113 -25.480 5.219 0.375 1.00 43.15 N ATOM 0 H ARG A 113 -23.382 9.713 4.022 1.00 23.13 H new ATOM 0 HA ARG A 113 -24.152 11.357 1.849 1.00 65.34 H new ATOM 0 HB2 ARG A 113 -25.694 10.097 4.135 1.00 73.11 H new ATOM 0 HB3 ARG A 113 -26.477 11.072 2.907 1.00 73.11 H new ATOM 0 HG2 ARG A 113 -26.772 8.915 2.069 1.00 33.21 H new ATOM 0 HG3 ARG A 113 -25.350 9.448 1.193 1.00 33.21 H new ATOM 0 HD2 ARG A 113 -23.962 8.338 3.065 1.00 13.14 H new ATOM 0 HD3 ARG A 113 -25.459 7.600 3.600 1.00 13.14 H new ATOM 0 HE ARG A 113 -23.839 6.790 1.354 1.00 22.34 H new ATOM 0 HH11 ARG A 113 -27.209 6.989 2.438 1.00 64.00 H new ATOM 0 HH12 ARG A 113 -27.735 5.675 1.382 1.00 64.00 H new ATOM 0 HH21 ARG A 113 -24.526 5.108 0.031 1.00 43.15 H new ATOM 0 HH22 ARG A 113 -26.223 4.614 0.025 1.00 43.15 H new ATOM 1661 N ALA A 114 -24.064 12.761 4.804 1.00 13.13 N ATOM 1662 CA ALA A 114 -24.151 14.039 5.520 1.00 4.23 C ATOM 1663 C ALA A 114 -23.276 15.110 4.861 1.00 54.12 C ATOM 1664 O ALA A 114 -23.440 16.306 5.122 1.00 31.21 O ATOM 1665 CB ALA A 114 -23.755 13.856 6.980 1.00 20.55 C ATOM 0 H ALA A 114 -23.659 12.001 5.352 1.00 13.13 H new ATOM 0 HA ALA A 114 -25.186 14.378 5.473 1.00 4.23 H new ATOM 0 HB1 ALA A 114 -23.824 14.812 7.498 1.00 20.55 H new ATOM 0 HB2 ALA A 114 -24.426 13.138 7.452 1.00 20.55 H new ATOM 0 HB3 ALA A 114 -22.731 13.487 7.036 1.00 20.55 H new ATOM 1671 N LEU A 115 -22.352 14.666 4.010 1.00 54.51 N ATOM 1672 CA LEU A 115 -21.456 15.566 3.281 1.00 34.10 C ATOM 1673 C LEU A 115 -22.214 16.234 2.134 1.00 65.22 C ATOM 1674 O LEU A 115 -21.883 17.341 1.714 1.00 21.00 O ATOM 1675 CB LEU A 115 -20.237 14.770 2.760 1.00 61.41 C ATOM 1676 CG LEU A 115 -19.062 15.587 2.171 1.00 15.31 C ATOM 1677 CD1 LEU A 115 -17.770 14.770 2.228 1.00 1.41 C ATOM 1678 CD2 LEU A 115 -19.338 16.014 0.727 1.00 63.24 C ATOM 0 H LEU A 115 -22.203 13.678 3.806 1.00 54.51 H new ATOM 0 HA LEU A 115 -21.095 16.349 3.948 1.00 34.10 H new ATOM 0 HB2 LEU A 115 -19.851 14.166 3.581 1.00 61.41 H new ATOM 0 HB3 LEU A 115 -20.587 14.079 1.993 1.00 61.41 H new ATOM 0 HG LEU A 115 -18.953 16.488 2.775 1.00 15.31 H new ATOM 0 HD11 LEU A 115 -16.951 15.355 1.811 1.00 1.41 H new ATOM 0 HD12 LEU A 115 -17.545 14.517 3.264 1.00 1.41 H new ATOM 0 HD13 LEU A 115 -17.893 13.854 1.650 1.00 1.41 H new ATOM 0 HD21 LEU A 115 -18.491 16.585 0.348 1.00 63.24 H new ATOM 0 HD22 LEU A 115 -19.485 15.129 0.108 1.00 63.24 H new ATOM 0 HD23 LEU A 115 -20.235 16.632 0.696 1.00 63.24 H new ATOM 1690 N GLY A 116 -23.252 15.558 1.653 1.00 51.20 N ATOM 1691 CA GLY A 116 -24.015 16.055 0.525 1.00 23.34 C ATOM 1692 C GLY A 116 -24.934 17.201 0.901 1.00 31.22 C ATOM 1693 O GLY A 116 -26.071 16.979 1.331 1.00 14.12 O ATOM 0 H GLY A 116 -23.580 14.668 2.028 1.00 51.20 H new ATOM 0 HA2 GLY A 116 -23.329 16.385 -0.255 1.00 23.34 H new ATOM 0 HA3 GLY A 116 -24.607 15.242 0.105 1.00 23.34 H new ATOM 1697 N PHE A 117 -24.439 18.424 0.760 1.00 13.22 N ATOM 1698 CA PHE A 117 -25.248 19.622 0.974 1.00 42.40 C ATOM 1699 C PHE A 117 -25.184 20.519 -0.260 1.00 75.12 C ATOM 1700 O PHE A 117 -24.219 20.460 -1.030 1.00 3.54 O ATOM 1701 CB PHE A 117 -24.777 20.391 2.224 1.00 52.33 C ATOM 1702 CG PHE A 117 -23.369 20.942 2.128 1.00 32.35 C ATOM 1703 CD1 PHE A 117 -22.281 20.176 2.523 1.00 11.42 C ATOM 1704 CD2 PHE A 117 -23.135 22.226 1.648 1.00 23.32 C ATOM 1705 CE1 PHE A 117 -20.994 20.676 2.438 1.00 54.43 C ATOM 1706 CE2 PHE A 117 -21.852 22.729 1.562 1.00 14.35 C ATOM 1707 CZ PHE A 117 -20.780 21.953 1.957 1.00 31.14 C ATOM 0 H PHE A 117 -23.473 18.615 0.496 1.00 13.22 H new ATOM 0 HA PHE A 117 -26.281 19.316 1.139 1.00 42.40 H new ATOM 0 HB2 PHE A 117 -25.465 21.216 2.408 1.00 52.33 H new ATOM 0 HB3 PHE A 117 -24.836 19.728 3.087 1.00 52.33 H new ATOM 0 HD1 PHE A 117 -22.441 19.177 2.901 1.00 11.42 H new ATOM 0 HD2 PHE A 117 -23.969 22.839 1.338 1.00 23.32 H new ATOM 0 HE1 PHE A 117 -20.157 20.068 2.748 1.00 54.43 H new ATOM 0 HE2 PHE A 117 -21.687 23.728 1.186 1.00 14.35 H new ATOM 0 HZ PHE A 117 -19.776 22.344 1.890 1.00 31.14 H new ATOM 1717 N THR A 118 -26.210 21.342 -0.451 1.00 3.14 N ATOM 1718 CA THR A 118 -26.268 22.254 -1.588 1.00 53.03 C ATOM 1719 C THR A 118 -25.636 23.600 -1.219 1.00 63.23 C ATOM 1720 O THR A 118 -25.670 24.006 -0.056 1.00 54.32 O ATOM 1721 CB THR A 118 -27.732 22.460 -2.050 1.00 54.14 C ATOM 1722 OG1 THR A 118 -28.349 21.180 -2.272 1.00 25.15 O ATOM 1723 CG2 THR A 118 -27.808 23.292 -3.330 1.00 14.33 C ATOM 0 H THR A 118 -27.017 21.396 0.171 1.00 3.14 H new ATOM 0 HA THR A 118 -25.706 21.813 -2.411 1.00 53.03 H new ATOM 0 HB THR A 118 -28.260 23.002 -1.265 1.00 54.14 H new ATOM 0 HG1 THR A 118 -29.276 21.310 -2.563 1.00 25.15 H new ATOM 0 HG21 THR A 118 -28.851 23.415 -3.623 1.00 14.33 H new ATOM 0 HG22 THR A 118 -27.363 24.271 -3.154 1.00 14.33 H new ATOM 0 HG23 THR A 118 -27.265 22.784 -4.127 1.00 14.33 H new ATOM 1731 N VAL A 119 -25.052 24.272 -2.209 1.00 3.13 N ATOM 1732 CA VAL A 119 -24.380 25.555 -1.994 1.00 32.40 C ATOM 1733 C VAL A 119 -25.311 26.574 -1.309 1.00 45.45 C ATOM 1734 O VAL A 119 -26.442 26.789 -1.794 1.00 51.35 O ATOM 1735 CB VAL A 119 -23.822 26.135 -3.327 1.00 74.31 C ATOM 1736 CG1 VAL A 119 -24.926 26.289 -4.374 1.00 44.31 C ATOM 1737 CG2 VAL A 119 -23.105 27.465 -3.089 1.00 42.44 C ATOM 1738 OXT VAL A 119 -24.904 27.154 -0.278 1.00 0.00 O ATOM 0 H VAL A 119 -25.030 23.947 -3.176 1.00 3.13 H new ATOM 0 HA VAL A 119 -23.538 25.367 -1.327 1.00 32.40 H new ATOM 0 HB VAL A 119 -23.094 25.423 -3.716 1.00 74.31 H new ATOM 0 HG11 VAL A 119 -24.502 26.696 -5.292 1.00 44.31 H new ATOM 0 HG12 VAL A 119 -25.370 25.315 -4.580 1.00 44.31 H new ATOM 0 HG13 VAL A 119 -25.693 26.965 -3.997 1.00 44.31 H new ATOM 0 HG21 VAL A 119 -22.725 27.848 -4.036 1.00 42.44 H new ATOM 0 HG22 VAL A 119 -23.804 28.184 -2.661 1.00 42.44 H new ATOM 0 HG23 VAL A 119 -22.274 27.312 -2.400 1.00 42.44 H new TER 1748 VAL A 119