USER MOD reduce.3.24.130724 H: found=0, std=0, add=734, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 734 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLN : amide:sc= -0.191 X(o=-0.19,f=-0.43) USER MOD Single : A 1 GLN N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0.148 K(o=0.15,f=-0.61) USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 CYS SG : rot -49:sc= -0.21 USER MOD Single : A 9 MET CE :methyl -132:sc= 0 (180deg=-0.854) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -75:sc= 0.291 USER MOD Single : A 25 TYR OH : rot -170:sc= 0.0295 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 130:sc= 0.352 (180deg=-0.302) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ -166:sc= -0.0375 (180deg=-0.235) USER MOD Single : A 43 LYS NZ :NH3+ -167:sc= -0.805 (180deg=-1.08) USER MOD Single : A 44 SER OG : rot 180:sc= -0.0614 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 168:sc= -0.0191 (180deg=-0.169) USER MOD Single : A 74 LYS NZ :NH3+ 171:sc= -0.0135 (180deg=-0.104) USER MOD Single : A 75 SER OG : rot 67:sc= 0.728 USER MOD Single : A 76 LYS NZ :NH3+ -160:sc= 0.7 (180deg=0.484) USER MOD Single : A 79 THR OG1 : rot -67:sc= 0.374 USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= -0.0242 (180deg=-0.204) USER MOD Single : A 85 SER OG : rot 180:sc= -0.0647 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 42:sc= 0.165 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 1 3.696 0.136 0.547 1.00 0.00 N ATOM 2 CA GLN A 1 3.195 0.118 -0.845 1.00 0.00 C ATOM 3 C GLN A 1 3.793 -1.104 -1.560 1.00 0.00 C ATOM 4 O GLN A 1 3.123 -2.131 -1.717 1.00 0.00 O ATOM 5 CB GLN A 1 3.554 1.469 -1.550 1.00 0.00 C ATOM 6 CG GLN A 1 2.850 1.766 -2.900 1.00 0.00 C ATOM 7 CD GLN A 1 3.289 0.866 -4.076 1.00 0.00 C ATOM 8 OE1 GLN A 1 2.672 -0.168 -4.352 1.00 0.00 O ATOM 9 NE2 GLN A 1 4.345 1.255 -4.770 1.00 0.00 N ATOM 0 H1 GLN A 1 3.301 0.958 1.047 1.00 0.00 H new ATOM 0 H2 GLN A 1 3.406 -0.737 1.032 1.00 0.00 H new ATOM 0 H3 GLN A 1 4.734 0.200 0.542 1.00 0.00 H new ATOM 0 HA GLN A 1 2.109 0.027 -0.874 1.00 0.00 H new ATOM 0 HB2 GLN A 1 3.324 2.282 -0.862 1.00 0.00 H new ATOM 0 HB3 GLN A 1 4.631 1.488 -1.718 1.00 0.00 H new ATOM 0 HG2 GLN A 1 1.774 1.660 -2.763 1.00 0.00 H new ATOM 0 HG3 GLN A 1 3.036 2.806 -3.169 1.00 0.00 H new ATOM 0 HE21 GLN A 1 4.833 2.114 -4.517 1.00 0.00 H new ATOM 0 HE22 GLN A 1 4.671 0.696 -5.558 1.00 0.00 H new ATOM 20 N GLY A 2 5.069 -0.995 -1.958 1.00 0.00 N ATOM 21 CA GLY A 2 5.743 -2.033 -2.729 1.00 0.00 C ATOM 22 C GLY A 2 7.030 -2.477 -2.063 1.00 0.00 C ATOM 23 O GLY A 2 8.110 -2.416 -2.665 1.00 0.00 O ATOM 0 H GLY A 2 5.655 -0.186 -1.752 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.079 -2.889 -2.845 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.961 -1.660 -3.730 1.00 0.00 H new ATOM 27 N HIS A 3 6.908 -2.904 -0.793 1.00 0.00 N ATOM 28 CA HIS A 3 8.027 -3.445 -0.010 1.00 0.00 C ATOM 29 C HIS A 3 8.502 -4.774 -0.619 1.00 0.00 C ATOM 30 O HIS A 3 7.934 -5.841 -0.336 1.00 0.00 O ATOM 31 CB HIS A 3 7.610 -3.624 1.483 1.00 0.00 C ATOM 32 CG HIS A 3 8.683 -4.160 2.417 1.00 0.00 C ATOM 33 ND1 HIS A 3 9.391 -3.367 3.296 1.00 0.00 N ATOM 34 CD2 HIS A 3 9.145 -5.425 2.621 1.00 0.00 C ATOM 35 CE1 HIS A 3 10.231 -4.112 3.990 1.00 0.00 C ATOM 36 NE2 HIS A 3 10.097 -5.362 3.596 1.00 0.00 N ATOM 0 H HIS A 3 6.026 -2.882 -0.282 1.00 0.00 H new ATOM 0 HA HIS A 3 8.858 -2.740 -0.042 1.00 0.00 H new ATOM 0 HB2 HIS A 3 7.274 -2.659 1.864 1.00 0.00 H new ATOM 0 HB3 HIS A 3 6.754 -4.297 1.522 1.00 0.00 H new ATOM 0 HD2 HIS A 3 8.817 -6.315 2.105 1.00 0.00 H new ATOM 0 HE1 HIS A 3 10.911 -3.758 4.750 1.00 0.00 H new ATOM 0 HE2 HIS A 3 10.622 -6.156 3.962 1.00 0.00 H new ATOM 45 N MET A 4 9.505 -4.692 -1.507 1.00 0.00 N ATOM 46 CA MET A 4 10.258 -5.872 -1.939 1.00 0.00 C ATOM 47 C MET A 4 11.210 -6.218 -0.798 1.00 0.00 C ATOM 48 O MET A 4 12.144 -5.456 -0.523 1.00 0.00 O ATOM 49 CB MET A 4 11.051 -5.622 -3.252 1.00 0.00 C ATOM 50 CG MET A 4 11.841 -6.849 -3.753 1.00 0.00 C ATOM 51 SD MET A 4 12.787 -6.522 -5.258 1.00 0.00 S ATOM 52 CE MET A 4 13.488 -8.142 -5.589 1.00 0.00 C ATOM 0 H MET A 4 9.811 -3.819 -1.938 1.00 0.00 H new ATOM 0 HA MET A 4 9.572 -6.690 -2.158 1.00 0.00 H new ATOM 0 HB2 MET A 4 10.355 -5.309 -4.030 1.00 0.00 H new ATOM 0 HB3 MET A 4 11.745 -4.796 -3.093 1.00 0.00 H new ATOM 0 HG2 MET A 4 12.522 -7.180 -2.969 1.00 0.00 H new ATOM 0 HG3 MET A 4 11.147 -7.669 -3.939 1.00 0.00 H new ATOM 0 HE1 MET A 4 14.099 -8.097 -6.491 1.00 0.00 H new ATOM 0 HE2 MET A 4 14.107 -8.450 -4.746 1.00 0.00 H new ATOM 0 HE3 MET A 4 12.684 -8.864 -5.731 1.00 0.00 H new ATOM 62 N ASP A 5 10.924 -7.319 -0.089 1.00 0.00 N ATOM 63 CA ASP A 5 11.705 -7.717 1.090 1.00 0.00 C ATOM 64 C ASP A 5 13.094 -8.218 0.643 1.00 0.00 C ATOM 65 O ASP A 5 13.269 -9.387 0.290 1.00 0.00 O ATOM 66 CB ASP A 5 10.943 -8.781 1.914 1.00 0.00 C ATOM 67 CG ASP A 5 11.581 -9.047 3.289 1.00 0.00 C ATOM 68 OD1 ASP A 5 11.482 -8.162 4.173 1.00 0.00 O ATOM 69 OD2 ASP A 5 12.165 -10.134 3.499 1.00 0.00 O ATOM 0 H ASP A 5 10.155 -7.951 -0.313 1.00 0.00 H new ATOM 0 HA ASP A 5 11.849 -6.854 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.913 -8.454 2.055 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.908 -9.713 1.350 1.00 0.00 H new ATOM 74 N LEU A 6 14.035 -7.269 0.571 1.00 0.00 N ATOM 75 CA LEU A 6 15.436 -7.501 0.159 1.00 0.00 C ATOM 76 C LEU A 6 16.403 -7.234 1.335 1.00 0.00 C ATOM 77 O LEU A 6 17.627 -7.320 1.178 1.00 0.00 O ATOM 78 CB LEU A 6 15.758 -6.618 -1.102 1.00 0.00 C ATOM 79 CG LEU A 6 15.355 -5.088 -1.056 1.00 0.00 C ATOM 80 CD1 LEU A 6 16.315 -4.233 -0.195 1.00 0.00 C ATOM 81 CD2 LEU A 6 15.208 -4.494 -2.487 1.00 0.00 C ATOM 0 H LEU A 6 13.845 -6.294 0.802 1.00 0.00 H new ATOM 0 HA LEU A 6 15.573 -8.546 -0.120 1.00 0.00 H new ATOM 0 HB2 LEU A 6 16.831 -6.676 -1.286 1.00 0.00 H new ATOM 0 HB3 LEU A 6 15.262 -7.069 -1.962 1.00 0.00 H new ATOM 0 HG LEU A 6 14.382 -5.048 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 6 15.984 -3.194 -0.204 1.00 0.00 H new ATOM 0 HD12 LEU A 6 16.314 -4.605 0.829 1.00 0.00 H new ATOM 0 HD13 LEU A 6 17.324 -4.296 -0.603 1.00 0.00 H new ATOM 0 HD21 LEU A 6 14.931 -3.442 -2.418 1.00 0.00 H new ATOM 0 HD22 LEU A 6 16.156 -4.585 -3.018 1.00 0.00 H new ATOM 0 HD23 LEU A 6 14.435 -5.038 -3.029 1.00 0.00 H new ATOM 93 N ILE A 7 15.835 -6.881 2.506 1.00 0.00 N ATOM 94 CA ILE A 7 16.598 -6.684 3.748 1.00 0.00 C ATOM 95 C ILE A 7 17.029 -8.058 4.314 1.00 0.00 C ATOM 96 O ILE A 7 16.266 -9.031 4.225 1.00 0.00 O ATOM 97 CB ILE A 7 15.763 -5.867 4.816 1.00 0.00 C ATOM 98 CG1 ILE A 7 16.616 -5.597 6.102 1.00 0.00 C ATOM 99 CG2 ILE A 7 14.418 -6.570 5.161 1.00 0.00 C ATOM 100 CD1 ILE A 7 15.953 -4.720 7.153 1.00 0.00 C ATOM 0 H ILE A 7 14.833 -6.725 2.614 1.00 0.00 H new ATOM 0 HA ILE A 7 17.488 -6.098 3.521 1.00 0.00 H new ATOM 0 HB ILE A 7 15.512 -4.904 4.371 1.00 0.00 H new ATOM 0 HG12 ILE A 7 16.867 -6.554 6.558 1.00 0.00 H new ATOM 0 HG13 ILE A 7 17.555 -5.130 5.803 1.00 0.00 H new ATOM 0 HG21 ILE A 7 13.876 -5.977 5.897 1.00 0.00 H new ATOM 0 HG22 ILE A 7 13.816 -6.666 4.258 1.00 0.00 H new ATOM 0 HG23 ILE A 7 14.619 -7.560 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 7 16.627 -4.596 8.001 1.00 0.00 H new ATOM 0 HD12 ILE A 7 15.727 -3.744 6.723 1.00 0.00 H new ATOM 0 HD13 ILE A 7 15.029 -5.191 7.490 1.00 0.00 H new ATOM 112 N CYS A 8 18.268 -8.121 4.842 1.00 0.00 N ATOM 113 CA CYS A 8 18.840 -9.325 5.469 1.00 0.00 C ATOM 114 C CYS A 8 18.906 -10.505 4.474 1.00 0.00 C ATOM 115 O CYS A 8 18.439 -11.622 4.765 1.00 0.00 O ATOM 116 CB CYS A 8 18.070 -9.689 6.770 1.00 0.00 C ATOM 117 SG CYS A 8 18.746 -11.112 7.656 1.00 0.00 S ATOM 0 H CYS A 8 18.906 -7.325 4.844 1.00 0.00 H new ATOM 0 HA CYS A 8 19.869 -9.104 5.754 1.00 0.00 H new ATOM 0 HB2 CYS A 8 18.074 -8.825 7.435 1.00 0.00 H new ATOM 0 HB3 CYS A 8 17.029 -9.893 6.518 1.00 0.00 H new ATOM 0 HG CYS A 8 18.919 -12.098 6.826 1.00 0.00 H new ATOM 123 N MET A 9 19.469 -10.235 3.276 1.00 0.00 N ATOM 124 CA MET A 9 19.732 -11.285 2.278 1.00 0.00 C ATOM 125 C MET A 9 20.829 -12.225 2.800 1.00 0.00 C ATOM 126 O MET A 9 21.927 -11.775 3.157 1.00 0.00 O ATOM 127 CB MET A 9 20.149 -10.693 0.899 1.00 0.00 C ATOM 128 CG MET A 9 19.008 -10.084 0.076 1.00 0.00 C ATOM 129 SD MET A 9 19.529 -9.677 -1.605 1.00 0.00 S ATOM 130 CE MET A 9 17.969 -9.348 -2.418 1.00 0.00 C ATOM 0 H MET A 9 19.748 -9.299 2.981 1.00 0.00 H new ATOM 0 HA MET A 9 18.806 -11.840 2.125 1.00 0.00 H new ATOM 0 HB2 MET A 9 20.905 -9.926 1.065 1.00 0.00 H new ATOM 0 HB3 MET A 9 20.619 -11.481 0.311 1.00 0.00 H new ATOM 0 HG2 MET A 9 18.174 -10.785 0.037 1.00 0.00 H new ATOM 0 HG3 MET A 9 18.644 -9.183 0.571 1.00 0.00 H new ATOM 0 HE1 MET A 9 17.932 -9.886 -3.365 1.00 0.00 H new ATOM 0 HE2 MET A 9 17.149 -9.678 -1.780 1.00 0.00 H new ATOM 0 HE3 MET A 9 17.875 -8.278 -2.605 1.00 0.00 H new ATOM 140 N TYR A 10 20.507 -13.520 2.846 1.00 0.00 N ATOM 141 CA TYR A 10 21.412 -14.560 3.341 1.00 0.00 C ATOM 142 C TYR A 10 22.542 -14.763 2.330 1.00 0.00 C ATOM 143 O TYR A 10 22.330 -15.286 1.233 1.00 0.00 O ATOM 144 CB TYR A 10 20.627 -15.874 3.599 1.00 0.00 C ATOM 145 CG TYR A 10 19.585 -15.737 4.721 1.00 0.00 C ATOM 146 CD1 TYR A 10 18.291 -15.282 4.458 1.00 0.00 C ATOM 147 CD2 TYR A 10 19.909 -16.035 6.049 1.00 0.00 C ATOM 148 CE1 TYR A 10 17.369 -15.127 5.473 1.00 0.00 C ATOM 149 CE2 TYR A 10 18.985 -15.885 7.063 1.00 0.00 C ATOM 150 CZ TYR A 10 17.718 -15.432 6.771 1.00 0.00 C ATOM 151 OH TYR A 10 16.797 -15.280 7.786 1.00 0.00 O ATOM 0 H TYR A 10 19.603 -13.879 2.538 1.00 0.00 H new ATOM 0 HA TYR A 10 21.851 -14.253 4.290 1.00 0.00 H new ATOM 0 HB2 TYR A 10 20.126 -16.179 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 10 21.330 -16.666 3.857 1.00 0.00 H new ATOM 0 HD1 TYR A 10 18.007 -15.047 3.443 1.00 0.00 H new ATOM 0 HD2 TYR A 10 20.902 -16.389 6.285 1.00 0.00 H new ATOM 0 HE1 TYR A 10 16.375 -14.767 5.251 1.00 0.00 H new ATOM 0 HE2 TYR A 10 19.255 -16.122 8.082 1.00 0.00 H new ATOM 0 HH TYR A 10 17.204 -15.540 8.639 1.00 0.00 H new ATOM 161 N VAL A 11 23.728 -14.284 2.699 1.00 0.00 N ATOM 162 CA VAL A 11 24.907 -14.327 1.846 1.00 0.00 C ATOM 163 C VAL A 11 25.525 -15.732 1.880 1.00 0.00 C ATOM 164 O VAL A 11 26.019 -16.173 2.916 1.00 0.00 O ATOM 165 CB VAL A 11 25.948 -13.236 2.281 1.00 0.00 C ATOM 166 CG1 VAL A 11 27.209 -13.245 1.383 1.00 0.00 C ATOM 167 CG2 VAL A 11 25.283 -11.835 2.302 1.00 0.00 C ATOM 0 H VAL A 11 23.896 -13.852 3.607 1.00 0.00 H new ATOM 0 HA VAL A 11 24.610 -14.106 0.821 1.00 0.00 H new ATOM 0 HB VAL A 11 26.280 -13.478 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 11 27.902 -12.474 1.721 1.00 0.00 H new ATOM 0 HG12 VAL A 11 27.693 -14.220 1.445 1.00 0.00 H new ATOM 0 HG13 VAL A 11 26.922 -13.047 0.350 1.00 0.00 H new ATOM 0 HG21 VAL A 11 26.017 -11.088 2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 11 24.911 -11.594 1.306 1.00 0.00 H new ATOM 0 HG23 VAL A 11 24.453 -11.837 3.009 1.00 0.00 H new ATOM 177 N PHE A 12 25.409 -16.448 0.754 1.00 0.00 N ATOM 178 CA PHE A 12 26.036 -17.758 0.543 1.00 0.00 C ATOM 179 C PHE A 12 27.346 -17.570 -0.226 1.00 0.00 C ATOM 180 O PHE A 12 27.337 -17.034 -1.331 1.00 0.00 O ATOM 181 CB PHE A 12 25.090 -18.709 -0.249 1.00 0.00 C ATOM 182 CG PHE A 12 23.860 -19.157 0.537 1.00 0.00 C ATOM 183 CD1 PHE A 12 22.782 -18.299 0.722 1.00 0.00 C ATOM 184 CD2 PHE A 12 23.788 -20.429 1.102 1.00 0.00 C ATOM 185 CE1 PHE A 12 21.675 -18.693 1.446 1.00 0.00 C ATOM 186 CE2 PHE A 12 22.676 -20.822 1.821 1.00 0.00 C ATOM 187 CZ PHE A 12 21.621 -19.953 1.993 1.00 0.00 C ATOM 0 H PHE A 12 24.868 -16.127 -0.049 1.00 0.00 H new ATOM 0 HA PHE A 12 26.236 -18.211 1.514 1.00 0.00 H new ATOM 0 HB2 PHE A 12 24.764 -18.205 -1.159 1.00 0.00 H new ATOM 0 HB3 PHE A 12 25.652 -19.590 -0.557 1.00 0.00 H new ATOM 0 HD1 PHE A 12 22.811 -17.309 0.292 1.00 0.00 H new ATOM 0 HD2 PHE A 12 24.612 -21.116 0.976 1.00 0.00 H new ATOM 0 HE1 PHE A 12 20.850 -18.010 1.583 1.00 0.00 H new ATOM 0 HE2 PHE A 12 22.634 -21.813 2.249 1.00 0.00 H new ATOM 0 HZ PHE A 12 20.753 -20.261 2.557 1.00 0.00 H new ATOM 197 N LYS A 13 28.471 -17.998 0.359 1.00 0.00 N ATOM 198 CA LYS A 13 29.759 -18.004 -0.333 1.00 0.00 C ATOM 199 C LYS A 13 29.788 -19.219 -1.273 1.00 0.00 C ATOM 200 O LYS A 13 30.174 -20.329 -0.880 1.00 0.00 O ATOM 201 CB LYS A 13 30.933 -18.013 0.680 1.00 0.00 C ATOM 202 CG LYS A 13 32.331 -17.879 0.033 1.00 0.00 C ATOM 203 CD LYS A 13 33.473 -17.897 1.070 1.00 0.00 C ATOM 204 CE LYS A 13 34.853 -17.773 0.411 1.00 0.00 C ATOM 205 NZ LYS A 13 35.950 -17.830 1.407 1.00 0.00 N ATOM 0 H LYS A 13 28.512 -18.346 1.317 1.00 0.00 H new ATOM 0 HA LYS A 13 29.879 -17.095 -0.923 1.00 0.00 H new ATOM 0 HB2 LYS A 13 30.793 -17.196 1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 13 30.897 -18.940 1.252 1.00 0.00 H new ATOM 0 HG2 LYS A 13 32.478 -18.693 -0.677 1.00 0.00 H new ATOM 0 HG3 LYS A 13 32.376 -16.950 -0.535 1.00 0.00 H new ATOM 0 HD2 LYS A 13 33.334 -17.078 1.776 1.00 0.00 H new ATOM 0 HD3 LYS A 13 33.427 -18.823 1.643 1.00 0.00 H new ATOM 0 HE2 LYS A 13 34.981 -18.575 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 13 34.910 -16.833 -0.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 36.865 -17.743 0.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 35.843 -17.050 2.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 35.912 -18.738 1.913 1.00 0.00 H new ATOM 219 N GLY A 14 29.279 -19.007 -2.499 1.00 0.00 N ATOM 220 CA GLY A 14 29.119 -20.080 -3.466 1.00 0.00 C ATOM 221 C GLY A 14 27.966 -20.993 -3.075 1.00 0.00 C ATOM 222 O GLY A 14 26.805 -20.692 -3.361 1.00 0.00 O ATOM 0 H GLY A 14 28.973 -18.094 -2.834 1.00 0.00 H new ATOM 0 HA2 GLY A 14 28.937 -19.660 -4.455 1.00 0.00 H new ATOM 0 HA3 GLY A 14 30.041 -20.658 -3.530 1.00 0.00 H new ATOM 226 N GLU A 15 28.301 -22.097 -2.382 1.00 0.00 N ATOM 227 CA GLU A 15 27.326 -23.100 -1.916 1.00 0.00 C ATOM 228 C GLU A 15 27.132 -23.018 -0.390 1.00 0.00 C ATOM 229 O GLU A 15 26.052 -23.336 0.113 1.00 0.00 O ATOM 230 CB GLU A 15 27.801 -24.519 -2.327 1.00 0.00 C ATOM 231 CG GLU A 15 27.925 -24.714 -3.853 1.00 0.00 C ATOM 232 CD GLU A 15 28.426 -26.114 -4.232 1.00 0.00 C ATOM 233 OE1 GLU A 15 27.612 -27.064 -4.256 1.00 0.00 O ATOM 234 OE2 GLU A 15 29.641 -26.283 -4.467 1.00 0.00 O ATOM 0 H GLU A 15 29.263 -22.320 -2.128 1.00 0.00 H new ATOM 0 HA GLU A 15 26.364 -22.893 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 15 28.768 -24.717 -1.865 1.00 0.00 H new ATOM 0 HB3 GLU A 15 27.102 -25.255 -1.931 1.00 0.00 H new ATOM 0 HG2 GLU A 15 26.954 -24.542 -4.317 1.00 0.00 H new ATOM 0 HG3 GLU A 15 28.608 -23.967 -4.256 1.00 0.00 H new ATOM 241 N GLU A 16 28.182 -22.595 0.344 1.00 0.00 N ATOM 242 CA GLU A 16 28.164 -22.577 1.828 1.00 0.00 C ATOM 243 C GLU A 16 27.487 -21.294 2.342 1.00 0.00 C ATOM 244 O GLU A 16 27.595 -20.244 1.714 1.00 0.00 O ATOM 245 CB GLU A 16 29.606 -22.698 2.406 1.00 0.00 C ATOM 246 CG GLU A 16 30.534 -21.514 2.079 1.00 0.00 C ATOM 247 CD GLU A 16 31.981 -21.705 2.564 1.00 0.00 C ATOM 248 OE1 GLU A 16 32.749 -22.429 1.894 1.00 0.00 O ATOM 249 OE2 GLU A 16 32.354 -21.135 3.608 1.00 0.00 O ATOM 0 H GLU A 16 29.055 -22.260 -0.064 1.00 0.00 H new ATOM 0 HA GLU A 16 27.588 -23.437 2.169 1.00 0.00 H new ATOM 0 HB2 GLU A 16 29.541 -22.802 3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 16 30.060 -23.613 2.025 1.00 0.00 H new ATOM 0 HG2 GLU A 16 30.540 -21.357 1.000 1.00 0.00 H new ATOM 0 HG3 GLU A 16 30.126 -20.610 2.530 1.00 0.00 H new ATOM 256 N SER A 17 26.786 -21.391 3.483 1.00 0.00 N ATOM 257 CA SER A 17 26.141 -20.235 4.131 1.00 0.00 C ATOM 258 C SER A 17 27.208 -19.398 4.868 1.00 0.00 C ATOM 259 O SER A 17 27.722 -19.817 5.913 1.00 0.00 O ATOM 260 CB SER A 17 25.031 -20.714 5.100 1.00 0.00 C ATOM 261 OG SER A 17 24.319 -19.624 5.665 1.00 0.00 O ATOM 0 H SER A 17 26.650 -22.270 3.982 1.00 0.00 H new ATOM 0 HA SER A 17 25.671 -19.607 3.375 1.00 0.00 H new ATOM 0 HB2 SER A 17 24.338 -21.364 4.566 1.00 0.00 H new ATOM 0 HB3 SER A 17 25.476 -21.310 5.897 1.00 0.00 H new ATOM 0 HG SER A 17 23.626 -19.964 6.269 1.00 0.00 H new ATOM 267 N PHE A 18 27.554 -18.235 4.284 1.00 0.00 N ATOM 268 CA PHE A 18 28.605 -17.344 4.805 1.00 0.00 C ATOM 269 C PHE A 18 28.077 -16.484 5.980 1.00 0.00 C ATOM 270 O PHE A 18 28.644 -16.518 7.082 1.00 0.00 O ATOM 271 CB PHE A 18 29.144 -16.454 3.650 1.00 0.00 C ATOM 272 CG PHE A 18 30.210 -15.430 4.056 1.00 0.00 C ATOM 273 CD1 PHE A 18 31.426 -15.844 4.599 1.00 0.00 C ATOM 274 CD2 PHE A 18 29.992 -14.060 3.905 1.00 0.00 C ATOM 275 CE1 PHE A 18 32.388 -14.923 4.972 1.00 0.00 C ATOM 276 CE2 PHE A 18 30.957 -13.140 4.276 1.00 0.00 C ATOM 277 CZ PHE A 18 32.151 -13.572 4.813 1.00 0.00 C ATOM 0 H PHE A 18 27.110 -17.887 3.434 1.00 0.00 H new ATOM 0 HA PHE A 18 29.423 -17.949 5.196 1.00 0.00 H new ATOM 0 HB2 PHE A 18 29.561 -17.101 2.878 1.00 0.00 H new ATOM 0 HB3 PHE A 18 28.305 -15.922 3.201 1.00 0.00 H new ATOM 0 HD1 PHE A 18 31.619 -16.898 4.730 1.00 0.00 H new ATOM 0 HD2 PHE A 18 29.056 -13.712 3.492 1.00 0.00 H new ATOM 0 HE1 PHE A 18 33.326 -15.261 5.388 1.00 0.00 H new ATOM 0 HE2 PHE A 18 30.775 -12.084 4.145 1.00 0.00 H new ATOM 0 HZ PHE A 18 32.901 -12.854 5.109 1.00 0.00 H new ATOM 287 N GLY A 19 26.983 -15.738 5.735 1.00 0.00 N ATOM 288 CA GLY A 19 26.406 -14.828 6.733 1.00 0.00 C ATOM 289 C GLY A 19 25.163 -14.119 6.222 1.00 0.00 C ATOM 290 O GLY A 19 24.418 -14.677 5.416 1.00 0.00 O ATOM 0 H GLY A 19 26.481 -15.751 4.847 1.00 0.00 H new ATOM 0 HA2 GLY A 19 26.156 -15.391 7.632 1.00 0.00 H new ATOM 0 HA3 GLY A 19 27.152 -14.086 7.019 1.00 0.00 H new ATOM 294 N GLU A 20 24.948 -12.877 6.687 1.00 0.00 N ATOM 295 CA GLU A 20 23.745 -12.080 6.377 1.00 0.00 C ATOM 296 C GLU A 20 24.147 -10.626 6.077 1.00 0.00 C ATOM 297 O GLU A 20 24.983 -10.054 6.780 1.00 0.00 O ATOM 298 CB GLU A 20 22.761 -12.157 7.581 1.00 0.00 C ATOM 299 CG GLU A 20 23.366 -11.695 8.932 1.00 0.00 C ATOM 300 CD GLU A 20 22.441 -11.953 10.128 1.00 0.00 C ATOM 301 OE1 GLU A 20 21.558 -11.114 10.411 1.00 0.00 O ATOM 302 OE2 GLU A 20 22.579 -13.010 10.784 1.00 0.00 O ATOM 0 H GLU A 20 25.609 -12.392 7.294 1.00 0.00 H new ATOM 0 HA GLU A 20 23.247 -12.479 5.493 1.00 0.00 H new ATOM 0 HB2 GLU A 20 21.887 -11.545 7.360 1.00 0.00 H new ATOM 0 HB3 GLU A 20 22.413 -13.185 7.685 1.00 0.00 H new ATOM 0 HG2 GLU A 20 24.312 -12.211 9.095 1.00 0.00 H new ATOM 0 HG3 GLU A 20 23.590 -10.630 8.877 1.00 0.00 H new ATOM 309 N SER A 21 23.571 -10.042 5.012 1.00 0.00 N ATOM 310 CA SER A 21 23.830 -8.649 4.631 1.00 0.00 C ATOM 311 C SER A 21 23.054 -7.704 5.571 1.00 0.00 C ATOM 312 O SER A 21 21.814 -7.638 5.527 1.00 0.00 O ATOM 313 CB SER A 21 23.450 -8.421 3.150 1.00 0.00 C ATOM 314 OG SER A 21 22.103 -8.783 2.894 1.00 0.00 O ATOM 0 H SER A 21 22.916 -10.523 4.395 1.00 0.00 H new ATOM 0 HA SER A 21 24.893 -8.432 4.733 1.00 0.00 H new ATOM 0 HB2 SER A 21 23.601 -7.373 2.893 1.00 0.00 H new ATOM 0 HB3 SER A 21 24.112 -9.005 2.510 1.00 0.00 H new ATOM 0 HG SER A 21 22.025 -9.760 2.875 1.00 0.00 H new ATOM 320 N ILE A 22 23.794 -7.013 6.460 1.00 0.00 N ATOM 321 CA ILE A 22 23.219 -6.059 7.425 1.00 0.00 C ATOM 322 C ILE A 22 22.995 -4.699 6.735 1.00 0.00 C ATOM 323 O ILE A 22 21.981 -4.033 6.973 1.00 0.00 O ATOM 324 CB ILE A 22 24.141 -5.937 8.715 1.00 0.00 C ATOM 325 CG1 ILE A 22 23.432 -5.210 9.927 1.00 0.00 C ATOM 326 CG2 ILE A 22 25.504 -5.288 8.393 1.00 0.00 C ATOM 327 CD1 ILE A 22 23.382 -3.680 9.896 1.00 0.00 C ATOM 0 H ILE A 22 24.808 -7.102 6.528 1.00 0.00 H new ATOM 0 HA ILE A 22 22.251 -6.425 7.767 1.00 0.00 H new ATOM 0 HB ILE A 22 24.326 -6.961 9.038 1.00 0.00 H new ATOM 0 HG12 ILE A 22 22.409 -5.580 9.990 1.00 0.00 H new ATOM 0 HG13 ILE A 22 23.937 -5.512 10.844 1.00 0.00 H new ATOM 0 HG21 ILE A 22 26.101 -5.225 9.303 1.00 0.00 H new ATOM 0 HG22 ILE A 22 26.030 -5.894 7.655 1.00 0.00 H new ATOM 0 HG23 ILE A 22 25.345 -4.287 7.993 1.00 0.00 H new ATOM 0 HD11 ILE A 22 22.869 -3.315 10.786 1.00 0.00 H new ATOM 0 HD12 ILE A 22 24.397 -3.283 9.874 1.00 0.00 H new ATOM 0 HD13 ILE A 22 22.844 -3.351 9.007 1.00 0.00 H new ATOM 339 N ASP A 23 23.932 -4.317 5.850 1.00 0.00 N ATOM 340 CA ASP A 23 23.940 -2.986 5.218 1.00 0.00 C ATOM 341 C ASP A 23 24.807 -3.021 3.940 1.00 0.00 C ATOM 342 O ASP A 23 25.357 -4.068 3.596 1.00 0.00 O ATOM 343 CB ASP A 23 24.451 -1.913 6.247 1.00 0.00 C ATOM 344 CG ASP A 23 24.171 -0.463 5.816 1.00 0.00 C ATOM 345 OD1 ASP A 23 23.008 -0.023 5.914 1.00 0.00 O ATOM 346 OD2 ASP A 23 25.099 0.231 5.354 1.00 0.00 O ATOM 0 H ASP A 23 24.701 -4.918 5.554 1.00 0.00 H new ATOM 0 HA ASP A 23 22.928 -2.706 4.924 1.00 0.00 H new ATOM 0 HB2 ASP A 23 23.978 -2.094 7.212 1.00 0.00 H new ATOM 0 HB3 ASP A 23 25.524 -2.040 6.389 1.00 0.00 H new ATOM 351 N VAL A 24 24.882 -1.891 3.221 1.00 0.00 N ATOM 352 CA VAL A 24 25.773 -1.711 2.060 1.00 0.00 C ATOM 353 C VAL A 24 26.062 -0.202 1.874 1.00 0.00 C ATOM 354 O VAL A 24 25.146 0.623 1.988 1.00 0.00 O ATOM 355 CB VAL A 24 25.160 -2.345 0.740 1.00 0.00 C ATOM 356 CG1 VAL A 24 23.738 -1.805 0.441 1.00 0.00 C ATOM 357 CG2 VAL A 24 26.108 -2.160 -0.477 1.00 0.00 C ATOM 0 H VAL A 24 24.320 -1.066 3.430 1.00 0.00 H new ATOM 0 HA VAL A 24 26.708 -2.238 2.251 1.00 0.00 H new ATOM 0 HB VAL A 24 25.062 -3.416 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 24 23.358 -2.266 -0.471 1.00 0.00 H new ATOM 0 HG12 VAL A 24 23.075 -2.045 1.272 1.00 0.00 H new ATOM 0 HG13 VAL A 24 23.779 -0.724 0.311 1.00 0.00 H new ATOM 0 HG21 VAL A 24 25.655 -2.606 -1.362 1.00 0.00 H new ATOM 0 HG22 VAL A 24 26.273 -1.097 -0.651 1.00 0.00 H new ATOM 0 HG23 VAL A 24 27.062 -2.647 -0.273 1.00 0.00 H new ATOM 367 N TYR A 25 27.336 0.163 1.634 1.00 0.00 N ATOM 368 CA TYR A 25 27.713 1.544 1.264 1.00 0.00 C ATOM 369 C TYR A 25 28.648 1.505 0.050 1.00 0.00 C ATOM 370 O TYR A 25 29.603 0.713 0.024 1.00 0.00 O ATOM 371 CB TYR A 25 28.355 2.331 2.457 1.00 0.00 C ATOM 372 CG TYR A 25 29.799 1.947 2.877 1.00 0.00 C ATOM 373 CD1 TYR A 25 30.920 2.576 2.313 1.00 0.00 C ATOM 374 CD2 TYR A 25 30.037 0.975 3.837 1.00 0.00 C ATOM 375 CE1 TYR A 25 32.206 2.238 2.688 1.00 0.00 C ATOM 376 CE2 TYR A 25 31.324 0.638 4.216 1.00 0.00 C ATOM 377 CZ TYR A 25 32.403 1.266 3.639 1.00 0.00 C ATOM 378 OH TYR A 25 33.682 0.914 4.017 1.00 0.00 O ATOM 0 H TYR A 25 28.125 -0.481 1.690 1.00 0.00 H new ATOM 0 HA TYR A 25 26.805 2.087 1.003 1.00 0.00 H new ATOM 0 HB2 TYR A 25 28.350 3.391 2.202 1.00 0.00 H new ATOM 0 HB3 TYR A 25 27.709 2.209 3.326 1.00 0.00 H new ATOM 0 HD1 TYR A 25 30.774 3.343 1.567 1.00 0.00 H new ATOM 0 HD2 TYR A 25 29.201 0.471 4.298 1.00 0.00 H new ATOM 0 HE1 TYR A 25 33.052 2.735 2.236 1.00 0.00 H new ATOM 0 HE2 TYR A 25 31.482 -0.121 4.968 1.00 0.00 H new ATOM 0 HH TYR A 25 33.649 0.106 4.570 1.00 0.00 H new ATOM 388 N GLY A 26 28.343 2.340 -0.957 1.00 0.00 N ATOM 389 CA GLY A 26 29.168 2.475 -2.150 1.00 0.00 C ATOM 390 C GLY A 26 29.317 1.170 -2.933 1.00 0.00 C ATOM 391 O GLY A 26 28.362 0.701 -3.560 1.00 0.00 O ATOM 0 H GLY A 26 27.516 2.937 -0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 26 28.732 3.233 -2.801 1.00 0.00 H new ATOM 0 HA3 GLY A 26 30.156 2.832 -1.861 1.00 0.00 H new ATOM 395 N ASP A 27 30.518 0.575 -2.849 1.00 0.00 N ATOM 396 CA ASP A 27 30.864 -0.686 -3.535 1.00 0.00 C ATOM 397 C ASP A 27 31.260 -1.785 -2.522 1.00 0.00 C ATOM 398 O ASP A 27 32.007 -2.717 -2.863 1.00 0.00 O ATOM 399 CB ASP A 27 32.008 -0.448 -4.567 1.00 0.00 C ATOM 400 CG ASP A 27 31.551 0.339 -5.810 1.00 0.00 C ATOM 401 OD1 ASP A 27 30.975 -0.284 -6.738 1.00 0.00 O ATOM 402 OD2 ASP A 27 31.742 1.575 -5.865 1.00 0.00 O ATOM 0 H ASP A 27 31.286 0.958 -2.298 1.00 0.00 H new ATOM 0 HA ASP A 27 29.980 -1.032 -4.071 1.00 0.00 H new ATOM 0 HB2 ASP A 27 32.820 0.093 -4.081 1.00 0.00 H new ATOM 0 HB3 ASP A 27 32.410 -1.411 -4.882 1.00 0.00 H new ATOM 407 N TYR A 28 30.718 -1.705 -1.290 1.00 0.00 N ATOM 408 CA TYR A 28 31.033 -2.665 -0.203 1.00 0.00 C ATOM 409 C TYR A 28 29.740 -3.134 0.483 1.00 0.00 C ATOM 410 O TYR A 28 29.082 -2.352 1.188 1.00 0.00 O ATOM 411 CB TYR A 28 32.003 -2.025 0.837 1.00 0.00 C ATOM 412 CG TYR A 28 33.282 -1.457 0.200 1.00 0.00 C ATOM 413 CD1 TYR A 28 34.249 -2.305 -0.343 1.00 0.00 C ATOM 414 CD2 TYR A 28 33.502 -0.077 0.112 1.00 0.00 C ATOM 415 CE1 TYR A 28 35.383 -1.803 -0.945 1.00 0.00 C ATOM 416 CE2 TYR A 28 34.633 0.426 -0.499 1.00 0.00 C ATOM 417 CZ TYR A 28 35.573 -0.439 -1.015 1.00 0.00 C ATOM 418 OH TYR A 28 36.700 0.064 -1.630 1.00 0.00 O ATOM 0 H TYR A 28 30.054 -0.980 -1.018 1.00 0.00 H new ATOM 0 HA TYR A 28 31.530 -3.531 -0.641 1.00 0.00 H new ATOM 0 HB2 TYR A 28 31.483 -1.227 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 28 32.276 -2.775 1.579 1.00 0.00 H new ATOM 0 HD1 TYR A 28 34.106 -3.374 -0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 28 32.775 0.605 0.529 1.00 0.00 H new ATOM 0 HE1 TYR A 28 36.119 -2.475 -1.360 1.00 0.00 H new ATOM 0 HE2 TYR A 28 34.780 1.493 -0.572 1.00 0.00 H new ATOM 0 HH TYR A 28 36.682 1.043 -1.596 1.00 0.00 H new ATOM 428 N LEU A 29 29.372 -4.411 0.247 1.00 0.00 N ATOM 429 CA LEU A 29 28.221 -5.056 0.901 1.00 0.00 C ATOM 430 C LEU A 29 28.634 -5.539 2.303 1.00 0.00 C ATOM 431 O LEU A 29 29.458 -6.454 2.429 1.00 0.00 O ATOM 432 CB LEU A 29 27.699 -6.257 0.064 1.00 0.00 C ATOM 433 CG LEU A 29 26.461 -7.000 0.670 1.00 0.00 C ATOM 434 CD1 LEU A 29 25.200 -6.108 0.660 1.00 0.00 C ATOM 435 CD2 LEU A 29 26.204 -8.343 -0.039 1.00 0.00 C ATOM 0 H LEU A 29 29.867 -5.022 -0.403 1.00 0.00 H new ATOM 0 HA LEU A 29 27.416 -4.325 0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 29 27.437 -5.899 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 29 28.510 -6.975 -0.058 1.00 0.00 H new ATOM 0 HG LEU A 29 26.696 -7.220 1.711 1.00 0.00 H new ATOM 0 HD11 LEU A 29 24.362 -6.658 1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 29 25.385 -5.210 1.250 1.00 0.00 H new ATOM 0 HD13 LEU A 29 24.962 -5.825 -0.366 1.00 0.00 H new ATOM 0 HD21 LEU A 29 25.338 -8.830 0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 29 26.014 -8.165 -1.098 1.00 0.00 H new ATOM 0 HD23 LEU A 29 27.078 -8.985 0.070 1.00 0.00 H new ATOM 447 N ILE A 30 28.053 -4.929 3.343 1.00 0.00 N ATOM 448 CA ILE A 30 28.391 -5.229 4.745 1.00 0.00 C ATOM 449 C ILE A 30 27.668 -6.510 5.189 1.00 0.00 C ATOM 450 O ILE A 30 26.443 -6.496 5.405 1.00 0.00 O ATOM 451 CB ILE A 30 28.013 -4.046 5.723 1.00 0.00 C ATOM 452 CG1 ILE A 30 28.316 -2.658 5.079 1.00 0.00 C ATOM 453 CG2 ILE A 30 28.744 -4.198 7.083 1.00 0.00 C ATOM 454 CD1 ILE A 30 29.754 -2.448 4.672 1.00 0.00 C ATOM 0 H ILE A 30 27.334 -4.213 3.239 1.00 0.00 H new ATOM 0 HA ILE A 30 29.471 -5.365 4.796 1.00 0.00 H new ATOM 0 HB ILE A 30 26.940 -4.098 5.907 1.00 0.00 H new ATOM 0 HG12 ILE A 30 27.683 -2.535 4.200 1.00 0.00 H new ATOM 0 HG13 ILE A 30 28.035 -1.877 5.785 1.00 0.00 H new ATOM 0 HG21 ILE A 30 28.468 -3.372 7.739 1.00 0.00 H new ATOM 0 HG22 ILE A 30 28.457 -5.142 7.547 1.00 0.00 H new ATOM 0 HG23 ILE A 30 29.822 -4.187 6.920 1.00 0.00 H new ATOM 0 HD11 ILE A 30 29.867 -1.456 4.235 1.00 0.00 H new ATOM 0 HD12 ILE A 30 30.396 -2.534 5.548 1.00 0.00 H new ATOM 0 HD13 ILE A 30 30.038 -3.202 3.939 1.00 0.00 H new ATOM 466 N VAL A 31 28.429 -7.610 5.282 1.00 0.00 N ATOM 467 CA VAL A 31 27.918 -8.922 5.691 1.00 0.00 C ATOM 468 C VAL A 31 28.379 -9.238 7.123 1.00 0.00 C ATOM 469 O VAL A 31 29.574 -9.412 7.373 1.00 0.00 O ATOM 470 CB VAL A 31 28.398 -10.060 4.713 1.00 0.00 C ATOM 471 CG1 VAL A 31 27.753 -11.419 5.072 1.00 0.00 C ATOM 472 CG2 VAL A 31 28.141 -9.672 3.235 1.00 0.00 C ATOM 0 H VAL A 31 29.427 -7.611 5.073 1.00 0.00 H new ATOM 0 HA VAL A 31 26.829 -8.884 5.655 1.00 0.00 H new ATOM 0 HB VAL A 31 29.475 -10.174 4.835 1.00 0.00 H new ATOM 0 HG11 VAL A 31 28.105 -12.183 4.379 1.00 0.00 H new ATOM 0 HG12 VAL A 31 28.031 -11.696 6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 31 26.668 -11.337 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 31 28.482 -10.476 2.583 1.00 0.00 H new ATOM 0 HG22 VAL A 31 27.074 -9.509 3.082 1.00 0.00 H new ATOM 0 HG23 VAL A 31 28.686 -8.758 2.999 1.00 0.00 H new ATOM 482 N LYS A 32 27.422 -9.303 8.050 1.00 0.00 N ATOM 483 CA LYS A 32 27.675 -9.669 9.445 1.00 0.00 C ATOM 484 C LYS A 32 27.896 -11.198 9.550 1.00 0.00 C ATOM 485 O LYS A 32 26.996 -11.983 9.210 1.00 0.00 O ATOM 486 CB LYS A 32 26.484 -9.209 10.336 1.00 0.00 C ATOM 487 CG LYS A 32 26.551 -9.670 11.812 1.00 0.00 C ATOM 488 CD LYS A 32 27.823 -9.192 12.555 1.00 0.00 C ATOM 489 CE LYS A 32 27.883 -9.703 14.002 1.00 0.00 C ATOM 490 NZ LYS A 32 27.895 -11.192 14.071 1.00 0.00 N ATOM 0 H LYS A 32 26.442 -9.102 7.852 1.00 0.00 H new ATOM 0 HA LYS A 32 28.576 -9.168 9.799 1.00 0.00 H new ATOM 0 HB2 LYS A 32 26.433 -8.120 10.314 1.00 0.00 H new ATOM 0 HB3 LYS A 32 25.558 -9.580 9.897 1.00 0.00 H new ATOM 0 HG2 LYS A 32 25.672 -9.300 12.340 1.00 0.00 H new ATOM 0 HG3 LYS A 32 26.508 -10.759 11.846 1.00 0.00 H new ATOM 0 HD2 LYS A 32 28.706 -9.534 12.015 1.00 0.00 H new ATOM 0 HD3 LYS A 32 27.852 -8.102 12.556 1.00 0.00 H new ATOM 0 HE2 LYS A 32 28.777 -9.311 14.488 1.00 0.00 H new ATOM 0 HE3 LYS A 32 27.025 -9.322 14.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 28.673 -11.505 14.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 26.990 -11.529 14.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 28.030 -11.583 13.117 1.00 0.00 H new ATOM 504 N VAL A 33 29.113 -11.602 9.979 1.00 0.00 N ATOM 505 CA VAL A 33 29.479 -13.021 10.218 1.00 0.00 C ATOM 506 C VAL A 33 30.196 -13.144 11.583 1.00 0.00 C ATOM 507 O VAL A 33 30.859 -12.197 12.025 1.00 0.00 O ATOM 508 CB VAL A 33 30.394 -13.622 9.070 1.00 0.00 C ATOM 509 CG1 VAL A 33 29.781 -13.403 7.674 1.00 0.00 C ATOM 510 CG2 VAL A 33 31.832 -13.066 9.120 1.00 0.00 C ATOM 0 H VAL A 33 29.875 -10.951 10.171 1.00 0.00 H new ATOM 0 HA VAL A 33 28.555 -13.600 10.221 1.00 0.00 H new ATOM 0 HB VAL A 33 30.446 -14.695 9.253 1.00 0.00 H new ATOM 0 HG11 VAL A 33 30.439 -13.829 6.917 1.00 0.00 H new ATOM 0 HG12 VAL A 33 28.807 -13.890 7.624 1.00 0.00 H new ATOM 0 HG13 VAL A 33 29.663 -12.335 7.492 1.00 0.00 H new ATOM 0 HG21 VAL A 33 32.421 -13.506 8.315 1.00 0.00 H new ATOM 0 HG22 VAL A 33 31.808 -11.983 9.001 1.00 0.00 H new ATOM 0 HG23 VAL A 33 32.285 -13.315 10.079 1.00 0.00 H new ATOM 520 N GLY A 34 30.024 -14.301 12.246 1.00 0.00 N ATOM 521 CA GLY A 34 30.692 -14.596 13.518 1.00 0.00 C ATOM 522 C GLY A 34 30.452 -13.523 14.584 1.00 0.00 C ATOM 523 O GLY A 34 29.341 -13.398 15.106 1.00 0.00 O ATOM 0 H GLY A 34 29.420 -15.053 11.914 1.00 0.00 H new ATOM 0 HA2 GLY A 34 30.340 -15.557 13.892 1.00 0.00 H new ATOM 0 HA3 GLY A 34 31.764 -14.695 13.345 1.00 0.00 H new ATOM 527 N THR A 35 31.486 -12.710 14.850 1.00 0.00 N ATOM 528 CA THR A 35 31.429 -11.610 15.829 1.00 0.00 C ATOM 529 C THR A 35 31.451 -10.232 15.115 1.00 0.00 C ATOM 530 O THR A 35 30.839 -9.271 15.597 1.00 0.00 O ATOM 531 CB THR A 35 32.620 -11.723 16.841 1.00 0.00 C ATOM 532 OG1 THR A 35 32.626 -13.039 17.415 1.00 0.00 O ATOM 533 CG2 THR A 35 32.533 -10.690 17.980 1.00 0.00 C ATOM 0 H THR A 35 32.392 -12.797 14.389 1.00 0.00 H new ATOM 0 HA THR A 35 30.492 -11.690 16.380 1.00 0.00 H new ATOM 0 HB THR A 35 33.536 -11.527 16.284 1.00 0.00 H new ATOM 0 HG1 THR A 35 33.370 -13.116 18.048 1.00 0.00 H new ATOM 0 HG21 THR A 35 33.383 -10.815 18.650 1.00 0.00 H new ATOM 0 HG22 THR A 35 32.546 -9.684 17.561 1.00 0.00 H new ATOM 0 HG23 THR A 35 31.608 -10.839 18.536 1.00 0.00 H new ATOM 541 N GLU A 36 32.106 -10.154 13.936 1.00 0.00 N ATOM 542 CA GLU A 36 32.411 -8.862 13.263 1.00 0.00 C ATOM 543 C GLU A 36 31.699 -8.733 11.903 1.00 0.00 C ATOM 544 O GLU A 36 30.997 -9.641 11.452 1.00 0.00 O ATOM 545 CB GLU A 36 33.949 -8.687 13.096 1.00 0.00 C ATOM 546 CG GLU A 36 34.727 -8.650 14.427 1.00 0.00 C ATOM 547 CD GLU A 36 36.213 -8.306 14.243 1.00 0.00 C ATOM 548 OE1 GLU A 36 37.019 -9.227 13.983 1.00 0.00 O ATOM 549 OE2 GLU A 36 36.580 -7.111 14.324 1.00 0.00 O ATOM 0 H GLU A 36 32.437 -10.972 13.425 1.00 0.00 H new ATOM 0 HA GLU A 36 32.030 -8.065 13.901 1.00 0.00 H new ATOM 0 HB2 GLU A 36 34.333 -9.505 12.486 1.00 0.00 H new ATOM 0 HB3 GLU A 36 34.142 -7.764 12.549 1.00 0.00 H new ATOM 0 HG2 GLU A 36 34.269 -7.915 15.089 1.00 0.00 H new ATOM 0 HG3 GLU A 36 34.642 -9.619 14.918 1.00 0.00 H new ATOM 556 N PHE A 37 31.866 -7.563 11.267 1.00 0.00 N ATOM 557 CA PHE A 37 31.229 -7.243 9.982 1.00 0.00 C ATOM 558 C PHE A 37 32.269 -7.337 8.851 1.00 0.00 C ATOM 559 O PHE A 37 33.197 -6.520 8.776 1.00 0.00 O ATOM 560 CB PHE A 37 30.604 -5.821 10.044 1.00 0.00 C ATOM 561 CG PHE A 37 29.515 -5.665 11.116 1.00 0.00 C ATOM 562 CD1 PHE A 37 29.841 -5.406 12.451 1.00 0.00 C ATOM 563 CD2 PHE A 37 28.167 -5.757 10.782 1.00 0.00 C ATOM 564 CE1 PHE A 37 28.855 -5.271 13.414 1.00 0.00 C ATOM 565 CE2 PHE A 37 27.181 -5.622 11.747 1.00 0.00 C ATOM 566 CZ PHE A 37 27.525 -5.363 13.057 1.00 0.00 C ATOM 0 H PHE A 37 32.449 -6.810 11.632 1.00 0.00 H new ATOM 0 HA PHE A 37 30.433 -7.959 9.780 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.395 -5.096 10.235 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.178 -5.579 9.070 1.00 0.00 H new ATOM 0 HD1 PHE A 37 30.878 -5.310 12.736 1.00 0.00 H new ATOM 0 HD2 PHE A 37 27.885 -5.936 9.755 1.00 0.00 H new ATOM 0 HE1 PHE A 37 29.127 -5.094 14.444 1.00 0.00 H new ATOM 0 HE2 PHE A 37 26.141 -5.720 11.472 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.755 -5.232 13.803 1.00 0.00 H new ATOM 576 N LEU A 38 32.114 -8.368 8.003 1.00 0.00 N ATOM 577 CA LEU A 38 32.942 -8.586 6.804 1.00 0.00 C ATOM 578 C LEU A 38 32.256 -7.915 5.608 1.00 0.00 C ATOM 579 O LEU A 38 31.269 -8.437 5.072 1.00 0.00 O ATOM 580 CB LEU A 38 33.138 -10.121 6.558 1.00 0.00 C ATOM 581 CG LEU A 38 34.304 -10.827 7.331 1.00 0.00 C ATOM 582 CD1 LEU A 38 35.664 -10.471 6.715 1.00 0.00 C ATOM 583 CD2 LEU A 38 34.281 -10.502 8.844 1.00 0.00 C ATOM 0 H LEU A 38 31.399 -9.084 8.133 1.00 0.00 H new ATOM 0 HA LEU A 38 33.930 -8.146 6.942 1.00 0.00 H new ATOM 0 HB2 LEU A 38 32.207 -10.626 6.816 1.00 0.00 H new ATOM 0 HB3 LEU A 38 33.299 -10.274 5.491 1.00 0.00 H new ATOM 0 HG LEU A 38 34.151 -11.902 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 38 36.457 -10.973 7.269 1.00 0.00 H new ATOM 0 HD12 LEU A 38 35.688 -10.794 5.674 1.00 0.00 H new ATOM 0 HD13 LEU A 38 35.814 -9.393 6.764 1.00 0.00 H new ATOM 0 HD21 LEU A 38 35.107 -11.013 9.339 1.00 0.00 H new ATOM 0 HD22 LEU A 38 34.382 -9.426 8.987 1.00 0.00 H new ATOM 0 HD23 LEU A 38 33.337 -10.838 9.274 1.00 0.00 H new ATOM 595 N ALA A 39 32.776 -6.750 5.212 1.00 0.00 N ATOM 596 CA ALA A 39 32.258 -5.971 4.087 1.00 0.00 C ATOM 597 C ALA A 39 32.870 -6.486 2.784 1.00 0.00 C ATOM 598 O ALA A 39 33.982 -6.097 2.408 1.00 0.00 O ATOM 599 CB ALA A 39 32.563 -4.484 4.291 1.00 0.00 C ATOM 0 H ALA A 39 33.578 -6.317 5.670 1.00 0.00 H new ATOM 0 HA ALA A 39 31.176 -6.086 4.030 1.00 0.00 H new ATOM 0 HB1 ALA A 39 32.173 -3.914 3.448 1.00 0.00 H new ATOM 0 HB2 ALA A 39 32.092 -4.139 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 39 33.641 -4.340 4.359 1.00 0.00 H new ATOM 605 N VAL A 40 32.147 -7.392 2.115 1.00 0.00 N ATOM 606 CA VAL A 40 32.601 -8.005 0.867 1.00 0.00 C ATOM 607 C VAL A 40 32.455 -6.986 -0.302 1.00 0.00 C ATOM 608 O VAL A 40 31.399 -6.355 -0.448 1.00 0.00 O ATOM 609 CB VAL A 40 31.844 -9.359 0.561 1.00 0.00 C ATOM 610 CG1 VAL A 40 32.048 -10.374 1.714 1.00 0.00 C ATOM 611 CG2 VAL A 40 30.335 -9.137 0.276 1.00 0.00 C ATOM 0 H VAL A 40 31.232 -7.719 2.426 1.00 0.00 H new ATOM 0 HA VAL A 40 33.654 -8.264 0.975 1.00 0.00 H new ATOM 0 HB VAL A 40 32.280 -9.774 -0.348 1.00 0.00 H new ATOM 0 HG11 VAL A 40 31.519 -11.298 1.483 1.00 0.00 H new ATOM 0 HG12 VAL A 40 33.111 -10.584 1.830 1.00 0.00 H new ATOM 0 HG13 VAL A 40 31.658 -9.955 2.641 1.00 0.00 H new ATOM 0 HG21 VAL A 40 29.858 -10.096 0.072 1.00 0.00 H new ATOM 0 HG22 VAL A 40 29.865 -8.676 1.144 1.00 0.00 H new ATOM 0 HG23 VAL A 40 30.220 -8.483 -0.589 1.00 0.00 H new ATOM 621 N PRO A 41 33.542 -6.757 -1.110 1.00 0.00 N ATOM 622 CA PRO A 41 33.486 -5.888 -2.320 1.00 0.00 C ATOM 623 C PRO A 41 32.479 -6.412 -3.369 1.00 0.00 C ATOM 624 O PRO A 41 32.089 -7.586 -3.334 1.00 0.00 O ATOM 625 CB PRO A 41 34.948 -5.929 -2.855 1.00 0.00 C ATOM 626 CG PRO A 41 35.534 -7.174 -2.262 1.00 0.00 C ATOM 627 CD PRO A 41 34.913 -7.296 -0.895 1.00 0.00 C ATOM 0 HA PRO A 41 33.140 -4.879 -2.096 1.00 0.00 H new ATOM 0 HB2 PRO A 41 34.971 -5.960 -3.944 1.00 0.00 H new ATOM 0 HB3 PRO A 41 35.506 -5.044 -2.550 1.00 0.00 H new ATOM 0 HG2 PRO A 41 35.307 -8.046 -2.876 1.00 0.00 H new ATOM 0 HG3 PRO A 41 36.620 -7.104 -2.196 1.00 0.00 H new ATOM 0 HD2 PRO A 41 34.892 -8.330 -0.550 1.00 0.00 H new ATOM 0 HD3 PRO A 41 35.461 -6.722 -0.148 1.00 0.00 H new ATOM 635 N LYS A 42 32.059 -5.535 -4.301 1.00 0.00 N ATOM 636 CA LYS A 42 31.091 -5.910 -5.358 1.00 0.00 C ATOM 637 C LYS A 42 31.698 -6.905 -6.367 1.00 0.00 C ATOM 638 O LYS A 42 30.959 -7.637 -7.036 1.00 0.00 O ATOM 639 CB LYS A 42 30.517 -4.663 -6.081 1.00 0.00 C ATOM 640 CG LYS A 42 29.789 -3.666 -5.157 1.00 0.00 C ATOM 641 CD LYS A 42 28.613 -4.277 -4.340 1.00 0.00 C ATOM 642 CE LYS A 42 27.432 -4.715 -5.220 1.00 0.00 C ATOM 643 NZ LYS A 42 26.876 -3.569 -5.980 1.00 0.00 N ATOM 0 H LYS A 42 32.371 -4.565 -4.346 1.00 0.00 H new ATOM 0 HA LYS A 42 30.262 -6.413 -4.860 1.00 0.00 H new ATOM 0 HB2 LYS A 42 31.332 -4.143 -6.584 1.00 0.00 H new ATOM 0 HB3 LYS A 42 29.824 -4.994 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 42 30.513 -3.240 -4.463 1.00 0.00 H new ATOM 0 HG3 LYS A 42 29.405 -2.844 -5.762 1.00 0.00 H new ATOM 0 HD2 LYS A 42 28.977 -5.136 -3.777 1.00 0.00 H new ATOM 0 HD3 LYS A 42 28.264 -3.544 -3.613 1.00 0.00 H new ATOM 0 HE2 LYS A 42 27.759 -5.490 -5.913 1.00 0.00 H new ATOM 0 HE3 LYS A 42 26.653 -5.153 -4.596 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 25.950 -3.831 -6.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 26.763 -2.753 -5.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 27.524 -3.318 -6.754 1.00 0.00 H new ATOM 657 N LYS A 43 33.045 -6.951 -6.445 1.00 0.00 N ATOM 658 CA LYS A 43 33.764 -7.936 -7.282 1.00 0.00 C ATOM 659 C LYS A 43 33.648 -9.353 -6.690 1.00 0.00 C ATOM 660 O LYS A 43 33.935 -10.339 -7.371 1.00 0.00 O ATOM 661 CB LYS A 43 35.255 -7.510 -7.507 1.00 0.00 C ATOM 662 CG LYS A 43 36.188 -7.449 -6.257 1.00 0.00 C ATOM 663 CD LYS A 43 36.771 -8.831 -5.845 1.00 0.00 C ATOM 664 CE LYS A 43 37.817 -8.747 -4.725 1.00 0.00 C ATOM 665 NZ LYS A 43 38.334 -10.089 -4.338 1.00 0.00 N ATOM 0 H LYS A 43 33.659 -6.315 -5.936 1.00 0.00 H new ATOM 0 HA LYS A 43 33.290 -7.958 -8.263 1.00 0.00 H new ATOM 0 HB2 LYS A 43 35.698 -8.203 -8.223 1.00 0.00 H new ATOM 0 HB3 LYS A 43 35.256 -6.525 -7.975 1.00 0.00 H new ATOM 0 HG2 LYS A 43 37.011 -6.764 -6.462 1.00 0.00 H new ATOM 0 HG3 LYS A 43 35.630 -7.035 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 43 35.956 -9.478 -5.522 1.00 0.00 H new ATOM 0 HD3 LYS A 43 37.223 -9.300 -6.719 1.00 0.00 H new ATOM 0 HE2 LYS A 43 38.647 -8.120 -5.051 1.00 0.00 H new ATOM 0 HE3 LYS A 43 37.376 -8.264 -3.853 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 38.862 -10.013 -3.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 37.537 -10.746 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 38.964 -10.447 -5.084 1.00 0.00 H new ATOM 679 N SER A 44 33.271 -9.436 -5.403 1.00 0.00 N ATOM 680 CA SER A 44 33.025 -10.711 -4.721 1.00 0.00 C ATOM 681 C SER A 44 31.619 -11.244 -5.070 1.00 0.00 C ATOM 682 O SER A 44 31.417 -12.455 -5.112 1.00 0.00 O ATOM 683 CB SER A 44 33.197 -10.540 -3.194 1.00 0.00 C ATOM 684 OG SER A 44 33.093 -11.776 -2.505 1.00 0.00 O ATOM 0 H SER A 44 33.129 -8.619 -4.809 1.00 0.00 H new ATOM 0 HA SER A 44 33.755 -11.444 -5.064 1.00 0.00 H new ATOM 0 HB2 SER A 44 34.168 -10.090 -2.987 1.00 0.00 H new ATOM 0 HB3 SER A 44 32.440 -9.851 -2.819 1.00 0.00 H new ATOM 0 HG SER A 44 33.209 -11.625 -1.544 1.00 0.00 H new ATOM 690 N ILE A 45 30.664 -10.324 -5.354 1.00 0.00 N ATOM 691 CA ILE A 45 29.250 -10.686 -5.608 1.00 0.00 C ATOM 692 C ILE A 45 29.123 -11.464 -6.940 1.00 0.00 C ATOM 693 O ILE A 45 29.421 -10.917 -8.007 1.00 0.00 O ATOM 694 CB ILE A 45 28.312 -9.414 -5.669 1.00 0.00 C ATOM 695 CG1 ILE A 45 28.568 -8.441 -4.465 1.00 0.00 C ATOM 696 CG2 ILE A 45 26.817 -9.823 -5.751 1.00 0.00 C ATOM 697 CD1 ILE A 45 28.339 -9.024 -3.083 1.00 0.00 C ATOM 0 H ILE A 45 30.850 -9.323 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 45 28.930 -11.311 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 45 28.563 -8.872 -6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 45 29.597 -8.085 -4.522 1.00 0.00 H new ATOM 0 HG13 ILE A 45 27.923 -7.570 -4.583 1.00 0.00 H new ATOM 0 HG21 ILE A 45 26.197 -8.928 -5.792 1.00 0.00 H new ATOM 0 HG22 ILE A 45 26.652 -10.420 -6.648 1.00 0.00 H new ATOM 0 HG23 ILE A 45 26.551 -10.409 -4.871 1.00 0.00 H new ATOM 0 HD11 ILE A 45 28.546 -8.265 -2.329 1.00 0.00 H new ATOM 0 HD12 ILE A 45 27.303 -9.352 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 45 29.003 -9.875 -2.932 1.00 0.00 H new ATOM 709 N LYS A 46 28.714 -12.738 -6.861 1.00 0.00 N ATOM 710 CA LYS A 46 28.463 -13.589 -8.039 1.00 0.00 C ATOM 711 C LYS A 46 27.048 -13.349 -8.582 1.00 0.00 C ATOM 712 O LYS A 46 26.880 -12.813 -9.680 1.00 0.00 O ATOM 713 CB LYS A 46 28.652 -15.093 -7.678 1.00 0.00 C ATOM 714 CG LYS A 46 30.104 -15.501 -7.367 1.00 0.00 C ATOM 715 CD LYS A 46 31.024 -15.354 -8.599 1.00 0.00 C ATOM 716 CE LYS A 46 32.487 -15.700 -8.287 1.00 0.00 C ATOM 717 NZ LYS A 46 33.381 -15.487 -9.453 1.00 0.00 N ATOM 0 H LYS A 46 28.546 -13.213 -5.974 1.00 0.00 H new ATOM 0 HA LYS A 46 29.184 -13.324 -8.812 1.00 0.00 H new ATOM 0 HB2 LYS A 46 28.030 -15.326 -6.814 1.00 0.00 H new ATOM 0 HB3 LYS A 46 28.287 -15.700 -8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 46 30.487 -14.885 -6.553 1.00 0.00 H new ATOM 0 HG3 LYS A 46 30.124 -16.535 -7.021 1.00 0.00 H new ATOM 0 HD2 LYS A 46 30.663 -16.003 -9.397 1.00 0.00 H new ATOM 0 HD3 LYS A 46 30.968 -14.331 -8.970 1.00 0.00 H new ATOM 0 HE2 LYS A 46 32.832 -15.090 -7.452 1.00 0.00 H new ATOM 0 HE3 LYS A 46 32.551 -16.741 -7.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 34.357 -15.734 -9.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 33.071 -16.088 -10.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 33.342 -14.489 -9.742 1.00 0.00 H new ATOM 731 N SER A 47 26.029 -13.731 -7.794 1.00 0.00 N ATOM 732 CA SER A 47 24.629 -13.724 -8.248 1.00 0.00 C ATOM 733 C SER A 47 23.687 -13.315 -7.099 1.00 0.00 C ATOM 734 O SER A 47 23.738 -13.894 -6.011 1.00 0.00 O ATOM 735 CB SER A 47 24.248 -15.128 -8.778 1.00 0.00 C ATOM 736 OG SER A 47 25.113 -15.539 -9.831 1.00 0.00 O ATOM 0 H SER A 47 26.151 -14.051 -6.833 1.00 0.00 H new ATOM 0 HA SER A 47 24.523 -12.995 -9.051 1.00 0.00 H new ATOM 0 HB2 SER A 47 24.295 -15.851 -7.964 1.00 0.00 H new ATOM 0 HB3 SER A 47 23.218 -15.117 -9.135 1.00 0.00 H new ATOM 0 HG SER A 47 24.848 -16.429 -10.143 1.00 0.00 H new ATOM 742 N VAL A 48 22.845 -12.301 -7.353 1.00 0.00 N ATOM 743 CA VAL A 48 21.783 -11.881 -6.424 1.00 0.00 C ATOM 744 C VAL A 48 20.552 -12.786 -6.620 1.00 0.00 C ATOM 745 O VAL A 48 19.914 -12.756 -7.683 1.00 0.00 O ATOM 746 CB VAL A 48 21.383 -10.368 -6.643 1.00 0.00 C ATOM 747 CG1 VAL A 48 20.279 -9.915 -5.647 1.00 0.00 C ATOM 748 CG2 VAL A 48 22.631 -9.448 -6.559 1.00 0.00 C ATOM 0 H VAL A 48 22.881 -11.748 -8.209 1.00 0.00 H new ATOM 0 HA VAL A 48 22.159 -11.977 -5.405 1.00 0.00 H new ATOM 0 HB VAL A 48 20.966 -10.280 -7.646 1.00 0.00 H new ATOM 0 HG11 VAL A 48 20.031 -8.869 -5.829 1.00 0.00 H new ATOM 0 HG12 VAL A 48 19.389 -10.528 -5.787 1.00 0.00 H new ATOM 0 HG13 VAL A 48 20.642 -10.029 -4.625 1.00 0.00 H new ATOM 0 HG21 VAL A 48 22.330 -8.412 -6.713 1.00 0.00 H new ATOM 0 HG22 VAL A 48 23.093 -9.550 -5.577 1.00 0.00 H new ATOM 0 HG23 VAL A 48 23.348 -9.736 -7.328 1.00 0.00 H new ATOM 758 N GLU A 49 20.264 -13.611 -5.608 1.00 0.00 N ATOM 759 CA GLU A 49 19.105 -14.515 -5.595 1.00 0.00 C ATOM 760 C GLU A 49 17.963 -13.895 -4.768 1.00 0.00 C ATOM 761 O GLU A 49 18.126 -12.821 -4.161 1.00 0.00 O ATOM 762 CB GLU A 49 19.525 -15.899 -5.022 1.00 0.00 C ATOM 763 CG GLU A 49 20.774 -16.526 -5.680 1.00 0.00 C ATOM 764 CD GLU A 49 20.602 -16.833 -7.177 1.00 0.00 C ATOM 765 OE1 GLU A 49 20.069 -17.909 -7.516 1.00 0.00 O ATOM 766 OE2 GLU A 49 21.006 -16.007 -8.022 1.00 0.00 O ATOM 0 H GLU A 49 20.834 -13.672 -4.765 1.00 0.00 H new ATOM 0 HA GLU A 49 18.745 -14.660 -6.613 1.00 0.00 H new ATOM 0 HB2 GLU A 49 19.711 -15.792 -3.953 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.689 -16.590 -5.132 1.00 0.00 H new ATOM 0 HG2 GLU A 49 21.618 -15.849 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 49 21.024 -17.449 -5.156 1.00 0.00 H new ATOM 773 N ASP A 50 16.812 -14.581 -4.744 1.00 0.00 N ATOM 774 CA ASP A 50 15.620 -14.126 -4.011 1.00 0.00 C ATOM 775 C ASP A 50 15.859 -14.239 -2.489 1.00 0.00 C ATOM 776 O ASP A 50 15.755 -15.332 -1.911 1.00 0.00 O ATOM 777 CB ASP A 50 14.379 -14.946 -4.442 1.00 0.00 C ATOM 778 CG ASP A 50 14.108 -14.873 -5.955 1.00 0.00 C ATOM 779 OD1 ASP A 50 14.662 -15.707 -6.701 1.00 0.00 O ATOM 780 OD2 ASP A 50 13.344 -13.988 -6.398 1.00 0.00 O ATOM 0 H ASP A 50 16.680 -15.467 -5.232 1.00 0.00 H new ATOM 0 HA ASP A 50 15.432 -13.079 -4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.520 -15.988 -4.153 1.00 0.00 H new ATOM 0 HB3 ASP A 50 13.504 -14.582 -3.903 1.00 0.00 H new ATOM 785 N GLY A 51 16.240 -13.101 -1.874 1.00 0.00 N ATOM 786 CA GLY A 51 16.536 -13.034 -0.438 1.00 0.00 C ATOM 787 C GLY A 51 17.879 -13.664 -0.080 1.00 0.00 C ATOM 788 O GLY A 51 18.108 -14.040 1.076 1.00 0.00 O ATOM 0 H GLY A 51 16.349 -12.211 -2.360 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.533 -11.992 -0.119 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.744 -13.539 0.115 1.00 0.00 H new ATOM 792 N ARG A 52 18.778 -13.761 -1.085 1.00 0.00 N ATOM 793 CA ARG A 52 20.124 -14.349 -0.933 1.00 0.00 C ATOM 794 C ARG A 52 21.142 -13.561 -1.777 1.00 0.00 C ATOM 795 O ARG A 52 20.791 -12.978 -2.807 1.00 0.00 O ATOM 796 CB ARG A 52 20.150 -15.843 -1.383 1.00 0.00 C ATOM 797 CG ARG A 52 19.231 -16.804 -0.600 1.00 0.00 C ATOM 798 CD ARG A 52 19.261 -18.236 -1.162 1.00 0.00 C ATOM 799 NE ARG A 52 18.503 -19.180 -0.320 1.00 0.00 N ATOM 800 CZ ARG A 52 18.730 -20.505 -0.234 1.00 0.00 C ATOM 801 NH1 ARG A 52 19.699 -21.079 -0.939 1.00 0.00 N ATOM 802 NH2 ARG A 52 17.979 -21.246 0.569 1.00 0.00 N ATOM 0 H ARG A 52 18.586 -13.430 -2.031 1.00 0.00 H new ATOM 0 HA ARG A 52 20.387 -14.296 0.124 1.00 0.00 H new ATOM 0 HB2 ARG A 52 19.876 -15.889 -2.437 1.00 0.00 H new ATOM 0 HB3 ARG A 52 21.174 -16.207 -1.304 1.00 0.00 H new ATOM 0 HG2 ARG A 52 19.536 -16.821 0.446 1.00 0.00 H new ATOM 0 HG3 ARG A 52 18.209 -16.427 -0.628 1.00 0.00 H new ATOM 0 HD2 ARG A 52 18.847 -18.238 -2.170 1.00 0.00 H new ATOM 0 HD3 ARG A 52 20.295 -18.572 -1.241 1.00 0.00 H new ATOM 0 HE ARG A 52 17.744 -18.798 0.244 1.00 0.00 H new ATOM 0 HH11 ARG A 52 20.283 -20.515 -1.556 1.00 0.00 H new ATOM 0 HH12 ARG A 52 19.859 -22.084 -0.863 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.236 -20.812 1.116 1.00 0.00 H new ATOM 0 HH22 ARG A 52 18.145 -22.250 0.640 1.00 0.00 H new ATOM 816 N ILE A 53 22.412 -13.553 -1.321 1.00 0.00 N ATOM 817 CA ILE A 53 23.554 -13.020 -2.098 1.00 0.00 C ATOM 818 C ILE A 53 24.625 -14.113 -2.223 1.00 0.00 C ATOM 819 O ILE A 53 25.295 -14.443 -1.242 1.00 0.00 O ATOM 820 CB ILE A 53 24.208 -11.738 -1.435 1.00 0.00 C ATOM 821 CG1 ILE A 53 23.186 -10.561 -1.312 1.00 0.00 C ATOM 822 CG2 ILE A 53 25.471 -11.281 -2.220 1.00 0.00 C ATOM 823 CD1 ILE A 53 22.677 -10.017 -2.641 1.00 0.00 C ATOM 0 H ILE A 53 22.676 -13.915 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 53 23.170 -12.722 -3.074 1.00 0.00 H new ATOM 0 HB ILE A 53 24.512 -12.021 -0.427 1.00 0.00 H new ATOM 0 HG12 ILE A 53 22.333 -10.899 -0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 53 23.654 -9.748 -0.758 1.00 0.00 H new ATOM 0 HG21 ILE A 53 25.898 -10.400 -1.741 1.00 0.00 H new ATOM 0 HG22 ILE A 53 26.208 -12.084 -2.224 1.00 0.00 H new ATOM 0 HG23 ILE A 53 25.194 -11.038 -3.246 1.00 0.00 H new ATOM 0 HD11 ILE A 53 21.974 -9.205 -2.456 1.00 0.00 H new ATOM 0 HD12 ILE A 53 23.517 -9.644 -3.227 1.00 0.00 H new ATOM 0 HD13 ILE A 53 22.175 -10.813 -3.192 1.00 0.00 H new ATOM 835 N VAL A 54 24.766 -14.691 -3.418 1.00 0.00 N ATOM 836 CA VAL A 54 25.877 -15.598 -3.714 1.00 0.00 C ATOM 837 C VAL A 54 27.136 -14.763 -3.985 1.00 0.00 C ATOM 838 O VAL A 54 27.127 -13.934 -4.889 1.00 0.00 O ATOM 839 CB VAL A 54 25.574 -16.548 -4.935 1.00 0.00 C ATOM 840 CG1 VAL A 54 26.766 -17.501 -5.211 1.00 0.00 C ATOM 841 CG2 VAL A 54 24.263 -17.341 -4.695 1.00 0.00 C ATOM 0 H VAL A 54 24.124 -14.547 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 54 26.028 -16.245 -2.850 1.00 0.00 H new ATOM 0 HB VAL A 54 25.438 -15.930 -5.822 1.00 0.00 H new ATOM 0 HG11 VAL A 54 26.529 -18.144 -6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 54 27.656 -16.914 -5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 54 26.952 -18.115 -4.330 1.00 0.00 H new ATOM 0 HG21 VAL A 54 24.070 -17.991 -5.548 1.00 0.00 H new ATOM 0 HG22 VAL A 54 24.363 -17.945 -3.793 1.00 0.00 H new ATOM 0 HG23 VAL A 54 23.433 -16.644 -4.575 1.00 0.00 H new ATOM 851 N ILE A 55 28.172 -14.936 -3.147 1.00 0.00 N ATOM 852 CA ILE A 55 29.511 -14.355 -3.369 1.00 0.00 C ATOM 853 C ILE A 55 30.503 -15.474 -3.743 1.00 0.00 C ATOM 854 O ILE A 55 30.166 -16.660 -3.673 1.00 0.00 O ATOM 855 CB ILE A 55 30.043 -13.545 -2.117 1.00 0.00 C ATOM 856 CG1 ILE A 55 30.224 -14.467 -0.869 1.00 0.00 C ATOM 857 CG2 ILE A 55 29.116 -12.348 -1.792 1.00 0.00 C ATOM 858 CD1 ILE A 55 30.878 -13.801 0.333 1.00 0.00 C ATOM 0 H ILE A 55 28.106 -15.486 -2.291 1.00 0.00 H new ATOM 0 HA ILE A 55 29.426 -13.642 -4.189 1.00 0.00 H new ATOM 0 HB ILE A 55 31.025 -13.151 -2.378 1.00 0.00 H new ATOM 0 HG12 ILE A 55 29.246 -14.844 -0.569 1.00 0.00 H new ATOM 0 HG13 ILE A 55 30.823 -15.330 -1.158 1.00 0.00 H new ATOM 0 HG21 ILE A 55 29.506 -11.810 -0.928 1.00 0.00 H new ATOM 0 HG22 ILE A 55 29.075 -11.676 -2.649 1.00 0.00 H new ATOM 0 HG23 ILE A 55 28.114 -12.714 -1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 55 30.960 -14.520 1.148 1.00 0.00 H new ATOM 0 HD12 ILE A 55 31.872 -13.450 0.058 1.00 0.00 H new ATOM 0 HD13 ILE A 55 30.271 -12.955 0.655 1.00 0.00 H new ATOM 870 N GLY A 56 31.720 -15.090 -4.149 1.00 0.00 N ATOM 871 CA GLY A 56 32.732 -16.037 -4.611 1.00 0.00 C ATOM 872 C GLY A 56 33.975 -15.987 -3.758 1.00 0.00 C ATOM 873 O GLY A 56 34.143 -16.805 -2.842 1.00 0.00 O ATOM 0 H GLY A 56 32.026 -14.117 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 56 32.320 -17.046 -4.595 1.00 0.00 H new ATOM 0 HA3 GLY A 56 32.992 -15.815 -5.646 1.00 0.00 H new ATOM 877 N GLU A 57 34.837 -14.996 -4.037 1.00 0.00 N ATOM 878 CA GLU A 57 36.128 -14.835 -3.358 1.00 0.00 C ATOM 879 C GLU A 57 36.410 -13.348 -3.069 1.00 0.00 C ATOM 880 O GLU A 57 36.049 -12.449 -3.847 1.00 0.00 O ATOM 881 CB GLU A 57 37.279 -15.454 -4.199 1.00 0.00 C ATOM 882 CG GLU A 57 37.430 -14.864 -5.614 1.00 0.00 C ATOM 883 CD GLU A 57 38.628 -15.443 -6.376 1.00 0.00 C ATOM 884 OE1 GLU A 57 38.542 -16.602 -6.829 1.00 0.00 O ATOM 885 OE2 GLU A 57 39.659 -14.750 -6.521 1.00 0.00 O ATOM 0 H GLU A 57 34.655 -14.283 -4.743 1.00 0.00 H new ATOM 0 HA GLU A 57 36.077 -15.367 -2.408 1.00 0.00 H new ATOM 0 HB2 GLU A 57 38.217 -15.318 -3.661 1.00 0.00 H new ATOM 0 HB3 GLU A 57 37.112 -16.528 -4.283 1.00 0.00 H new ATOM 0 HG2 GLU A 57 36.519 -15.054 -6.181 1.00 0.00 H new ATOM 0 HG3 GLU A 57 37.540 -13.782 -5.541 1.00 0.00 H new ATOM 892 N PHE A 58 37.078 -13.135 -1.942 1.00 0.00 N ATOM 893 CA PHE A 58 37.466 -11.825 -1.420 1.00 0.00 C ATOM 894 C PHE A 58 38.601 -12.046 -0.408 1.00 0.00 C ATOM 895 O PHE A 58 38.834 -13.174 0.047 1.00 0.00 O ATOM 896 CB PHE A 58 36.247 -11.116 -0.746 1.00 0.00 C ATOM 897 CG PHE A 58 35.704 -11.847 0.488 1.00 0.00 C ATOM 898 CD1 PHE A 58 34.912 -12.992 0.359 1.00 0.00 C ATOM 899 CD2 PHE A 58 36.009 -11.401 1.773 1.00 0.00 C ATOM 900 CE1 PHE A 58 34.459 -13.664 1.474 1.00 0.00 C ATOM 901 CE2 PHE A 58 35.550 -12.073 2.883 1.00 0.00 C ATOM 902 CZ PHE A 58 34.776 -13.201 2.734 1.00 0.00 C ATOM 0 H PHE A 58 37.378 -13.901 -1.339 1.00 0.00 H new ATOM 0 HA PHE A 58 37.805 -11.178 -2.229 1.00 0.00 H new ATOM 0 HB2 PHE A 58 36.541 -10.107 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 58 35.446 -11.018 -1.479 1.00 0.00 H new ATOM 0 HD1 PHE A 58 34.652 -13.354 -0.625 1.00 0.00 H new ATOM 0 HD2 PHE A 58 36.614 -10.515 1.899 1.00 0.00 H new ATOM 0 HE1 PHE A 58 33.856 -14.553 1.361 1.00 0.00 H new ATOM 0 HE2 PHE A 58 35.797 -11.715 3.871 1.00 0.00 H new ATOM 0 HZ PHE A 58 34.416 -13.726 3.607 1.00 0.00 H new ATOM 912 N ASP A 59 39.292 -10.975 -0.043 1.00 0.00 N ATOM 913 CA ASP A 59 40.357 -11.023 0.968 1.00 0.00 C ATOM 914 C ASP A 59 39.726 -10.660 2.314 1.00 0.00 C ATOM 915 O ASP A 59 39.326 -9.517 2.519 1.00 0.00 O ATOM 916 CB ASP A 59 41.506 -10.060 0.580 1.00 0.00 C ATOM 917 CG ASP A 59 42.112 -10.386 -0.795 1.00 0.00 C ATOM 918 OD1 ASP A 59 42.905 -11.342 -0.893 1.00 0.00 O ATOM 919 OD2 ASP A 59 41.774 -9.705 -1.796 1.00 0.00 O ATOM 0 H ASP A 59 39.136 -10.046 -0.435 1.00 0.00 H new ATOM 0 HA ASP A 59 40.798 -12.018 1.034 1.00 0.00 H new ATOM 0 HB2 ASP A 59 41.131 -9.037 0.574 1.00 0.00 H new ATOM 0 HB3 ASP A 59 42.288 -10.109 1.338 1.00 0.00 H new ATOM 924 N GLU A 60 39.594 -11.666 3.196 1.00 0.00 N ATOM 925 CA GLU A 60 38.826 -11.563 4.455 1.00 0.00 C ATOM 926 C GLU A 60 39.399 -10.514 5.423 1.00 0.00 C ATOM 927 O GLU A 60 38.648 -9.783 6.054 1.00 0.00 O ATOM 928 CB GLU A 60 38.737 -12.954 5.135 1.00 0.00 C ATOM 929 CG GLU A 60 40.093 -13.568 5.541 1.00 0.00 C ATOM 930 CD GLU A 60 39.970 -15.021 6.004 1.00 0.00 C ATOM 931 OE1 GLU A 60 39.634 -15.255 7.185 1.00 0.00 O ATOM 932 OE2 GLU A 60 40.198 -15.934 5.186 1.00 0.00 O ATOM 0 H GLU A 60 40.020 -12.582 3.056 1.00 0.00 H new ATOM 0 HA GLU A 60 37.824 -11.221 4.195 1.00 0.00 H new ATOM 0 HB2 GLU A 60 38.113 -12.868 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 60 38.232 -13.642 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 60 40.778 -13.518 4.694 1.00 0.00 H new ATOM 0 HG3 GLU A 60 40.532 -12.972 6.341 1.00 0.00 H new ATOM 939 N GLU A 61 40.735 -10.436 5.500 1.00 0.00 N ATOM 940 CA GLU A 61 41.443 -9.482 6.380 1.00 0.00 C ATOM 941 C GLU A 61 41.183 -8.025 5.929 1.00 0.00 C ATOM 942 O GLU A 61 41.062 -7.111 6.756 1.00 0.00 O ATOM 943 CB GLU A 61 42.959 -9.819 6.387 1.00 0.00 C ATOM 944 CG GLU A 61 43.666 -9.659 5.021 1.00 0.00 C ATOM 945 CD GLU A 61 45.064 -10.296 4.975 1.00 0.00 C ATOM 946 OE1 GLU A 61 45.968 -9.824 5.692 1.00 0.00 O ATOM 947 OE2 GLU A 61 45.258 -11.286 4.235 1.00 0.00 O ATOM 0 H GLU A 61 41.360 -11.031 4.956 1.00 0.00 H new ATOM 0 HA GLU A 61 41.063 -9.574 7.398 1.00 0.00 H new ATOM 0 HB2 GLU A 61 43.456 -9.177 7.115 1.00 0.00 H new ATOM 0 HB3 GLU A 61 43.087 -10.846 6.728 1.00 0.00 H new ATOM 0 HG2 GLU A 61 43.046 -10.108 4.245 1.00 0.00 H new ATOM 0 HG3 GLU A 61 43.751 -8.598 4.787 1.00 0.00 H new ATOM 954 N GLU A 62 41.032 -7.857 4.602 1.00 0.00 N ATOM 955 CA GLU A 62 40.750 -6.566 3.970 1.00 0.00 C ATOM 956 C GLU A 62 39.277 -6.187 4.161 1.00 0.00 C ATOM 957 O GLU A 62 38.967 -5.065 4.539 1.00 0.00 O ATOM 958 CB GLU A 62 41.108 -6.622 2.469 1.00 0.00 C ATOM 959 CG GLU A 62 42.585 -6.957 2.189 1.00 0.00 C ATOM 960 CD GLU A 62 43.568 -5.977 2.861 1.00 0.00 C ATOM 961 OE1 GLU A 62 43.628 -4.803 2.438 1.00 0.00 O ATOM 962 OE2 GLU A 62 44.299 -6.383 3.788 1.00 0.00 O ATOM 0 H GLU A 62 41.104 -8.626 3.936 1.00 0.00 H new ATOM 0 HA GLU A 62 41.363 -5.800 4.445 1.00 0.00 H new ATOM 0 HB2 GLU A 62 40.479 -7.368 1.984 1.00 0.00 H new ATOM 0 HB3 GLU A 62 40.872 -5.660 2.014 1.00 0.00 H new ATOM 0 HG2 GLU A 62 42.794 -7.968 2.538 1.00 0.00 H new ATOM 0 HG3 GLU A 62 42.755 -6.950 1.112 1.00 0.00 H new ATOM 969 N ALA A 63 38.383 -7.159 3.921 1.00 0.00 N ATOM 970 CA ALA A 63 36.930 -6.985 4.068 1.00 0.00 C ATOM 971 C ALA A 63 36.561 -6.723 5.536 1.00 0.00 C ATOM 972 O ALA A 63 35.546 -6.094 5.826 1.00 0.00 O ATOM 973 CB ALA A 63 36.188 -8.224 3.534 1.00 0.00 C ATOM 0 H ALA A 63 38.651 -8.095 3.617 1.00 0.00 H new ATOM 0 HA ALA A 63 36.624 -6.118 3.482 1.00 0.00 H new ATOM 0 HB1 ALA A 63 35.113 -8.082 3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 63 36.425 -8.363 2.479 1.00 0.00 H new ATOM 0 HB3 ALA A 63 36.500 -9.105 4.095 1.00 0.00 H new ATOM 979 N ARG A 64 37.408 -7.227 6.446 1.00 0.00 N ATOM 980 CA ARG A 64 37.247 -7.046 7.891 1.00 0.00 C ATOM 981 C ARG A 64 37.629 -5.615 8.303 1.00 0.00 C ATOM 982 O ARG A 64 36.907 -4.994 9.076 1.00 0.00 O ATOM 983 CB ARG A 64 38.078 -8.131 8.643 1.00 0.00 C ATOM 984 CG ARG A 64 37.956 -8.164 10.192 1.00 0.00 C ATOM 985 CD ARG A 64 39.008 -7.296 10.898 1.00 0.00 C ATOM 986 NE ARG A 64 38.890 -7.381 12.356 1.00 0.00 N ATOM 987 CZ ARG A 64 39.849 -7.082 13.235 1.00 0.00 C ATOM 988 NH1 ARG A 64 41.047 -6.661 12.833 1.00 0.00 N ATOM 989 NH2 ARG A 64 39.586 -7.180 14.525 1.00 0.00 N ATOM 0 H ARG A 64 38.230 -7.776 6.194 1.00 0.00 H new ATOM 0 HA ARG A 64 36.201 -7.177 8.168 1.00 0.00 H new ATOM 0 HB2 ARG A 64 37.786 -9.108 8.259 1.00 0.00 H new ATOM 0 HB3 ARG A 64 39.128 -7.990 8.389 1.00 0.00 H new ATOM 0 HG2 ARG A 64 36.961 -7.824 10.479 1.00 0.00 H new ATOM 0 HG3 ARG A 64 38.053 -9.194 10.536 1.00 0.00 H new ATOM 0 HD2 ARG A 64 40.005 -7.614 10.594 1.00 0.00 H new ATOM 0 HD3 ARG A 64 38.895 -6.259 10.583 1.00 0.00 H new ATOM 0 HE ARG A 64 37.996 -7.697 12.733 1.00 0.00 H new ATOM 0 HH11 ARG A 64 41.245 -6.562 11.837 1.00 0.00 H new ATOM 0 HH12 ARG A 64 41.766 -6.438 13.521 1.00 0.00 H new ATOM 0 HH21 ARG A 64 38.662 -7.480 14.836 1.00 0.00 H new ATOM 0 HH22 ARG A 64 40.307 -6.956 15.211 1.00 0.00 H new ATOM 1003 N GLU A 65 38.758 -5.091 7.774 1.00 0.00 N ATOM 1004 CA GLU A 65 39.241 -3.735 8.143 1.00 0.00 C ATOM 1005 C GLU A 65 38.378 -2.632 7.497 1.00 0.00 C ATOM 1006 O GLU A 65 38.084 -1.620 8.134 1.00 0.00 O ATOM 1007 CB GLU A 65 40.747 -3.532 7.805 1.00 0.00 C ATOM 1008 CG GLU A 65 41.135 -3.716 6.329 1.00 0.00 C ATOM 1009 CD GLU A 65 42.638 -3.541 6.077 1.00 0.00 C ATOM 1010 OE1 GLU A 65 43.423 -4.422 6.488 1.00 0.00 O ATOM 1011 OE2 GLU A 65 43.043 -2.509 5.510 1.00 0.00 O ATOM 0 H GLU A 65 39.347 -5.577 7.098 1.00 0.00 H new ATOM 0 HA GLU A 65 39.140 -3.653 9.225 1.00 0.00 H new ATOM 0 HB2 GLU A 65 41.037 -2.528 8.114 1.00 0.00 H new ATOM 0 HB3 GLU A 65 41.331 -4.231 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 65 40.831 -4.710 6.000 1.00 0.00 H new ATOM 0 HG3 GLU A 65 40.585 -2.997 5.722 1.00 0.00 H new ATOM 1018 N LEU A 66 37.955 -2.820 6.237 1.00 0.00 N ATOM 1019 CA LEU A 66 37.041 -1.872 5.574 1.00 0.00 C ATOM 1020 C LEU A 66 35.576 -2.170 5.986 1.00 0.00 C ATOM 1021 O LEU A 66 34.658 -1.353 5.778 1.00 0.00 O ATOM 1022 CB LEU A 66 37.300 -1.810 4.035 1.00 0.00 C ATOM 1023 CG LEU A 66 36.983 -3.078 3.172 1.00 0.00 C ATOM 1024 CD1 LEU A 66 35.498 -3.152 2.806 1.00 0.00 C ATOM 1025 CD2 LEU A 66 37.876 -3.147 1.908 1.00 0.00 C ATOM 0 H LEU A 66 38.228 -3.614 5.658 1.00 0.00 H new ATOM 0 HA LEU A 66 37.244 -0.858 5.918 1.00 0.00 H new ATOM 0 HB2 LEU A 66 36.716 -0.982 3.634 1.00 0.00 H new ATOM 0 HB3 LEU A 66 38.351 -1.561 3.885 1.00 0.00 H new ATOM 0 HG LEU A 66 37.215 -3.949 3.785 1.00 0.00 H new ATOM 0 HD11 LEU A 66 35.315 -4.044 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 66 34.901 -3.197 3.717 1.00 0.00 H new ATOM 0 HD13 LEU A 66 35.220 -2.267 2.233 1.00 0.00 H new ATOM 0 HD21 LEU A 66 37.627 -4.040 1.335 1.00 0.00 H new ATOM 0 HD22 LEU A 66 37.706 -2.263 1.294 1.00 0.00 H new ATOM 0 HD23 LEU A 66 38.924 -3.187 2.205 1.00 0.00 H new ATOM 1037 N GLY A 67 35.377 -3.350 6.596 1.00 0.00 N ATOM 1038 CA GLY A 67 34.187 -3.621 7.395 1.00 0.00 C ATOM 1039 C GLY A 67 34.165 -2.723 8.622 1.00 0.00 C ATOM 1040 O GLY A 67 33.145 -2.134 8.947 1.00 0.00 O ATOM 0 H GLY A 67 36.032 -4.130 6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 67 33.292 -3.454 6.796 1.00 0.00 H new ATOM 0 HA3 GLY A 67 34.175 -4.667 7.700 1.00 0.00 H new ATOM 1044 N ARG A 68 35.344 -2.586 9.266 1.00 0.00 N ATOM 1045 CA ARG A 68 35.559 -1.672 10.407 1.00 0.00 C ATOM 1046 C ARG A 68 35.527 -0.190 9.963 1.00 0.00 C ATOM 1047 O ARG A 68 35.418 0.692 10.806 1.00 0.00 O ATOM 1048 CB ARG A 68 36.896 -2.006 11.124 1.00 0.00 C ATOM 1049 CG ARG A 68 36.908 -3.379 11.846 1.00 0.00 C ATOM 1050 CD ARG A 68 38.286 -3.734 12.429 1.00 0.00 C ATOM 1051 NE ARG A 68 38.765 -2.716 13.383 1.00 0.00 N ATOM 1052 CZ ARG A 68 39.811 -2.852 14.213 1.00 0.00 C ATOM 1053 NH1 ARG A 68 40.499 -3.985 14.264 1.00 0.00 N ATOM 1054 NH2 ARG A 68 40.157 -1.841 14.999 1.00 0.00 N ATOM 0 H ARG A 68 36.179 -3.111 9.006 1.00 0.00 H new ATOM 0 HA ARG A 68 34.740 -1.818 11.111 1.00 0.00 H new ATOM 0 HB2 ARG A 68 37.702 -1.987 10.391 1.00 0.00 H new ATOM 0 HB3 ARG A 68 37.109 -1.224 11.853 1.00 0.00 H new ATOM 0 HG2 ARG A 68 36.171 -3.369 12.649 1.00 0.00 H new ATOM 0 HG3 ARG A 68 36.604 -4.156 11.144 1.00 0.00 H new ATOM 0 HD2 ARG A 68 38.229 -4.701 12.930 1.00 0.00 H new ATOM 0 HD3 ARG A 68 39.007 -3.837 11.618 1.00 0.00 H new ATOM 0 HE ARG A 68 38.257 -1.832 13.415 1.00 0.00 H new ATOM 0 HH11 ARG A 68 40.236 -4.769 13.667 1.00 0.00 H new ATOM 0 HH12 ARG A 68 41.291 -4.072 14.900 1.00 0.00 H new ATOM 0 HH21 ARG A 68 39.629 -0.969 14.970 1.00 0.00 H new ATOM 0 HH22 ARG A 68 40.951 -1.936 15.633 1.00 0.00 H new ATOM 1068 N LYS A 69 35.666 0.055 8.639 1.00 0.00 N ATOM 1069 CA LYS A 69 35.465 1.391 8.023 1.00 0.00 C ATOM 1070 C LYS A 69 33.979 1.788 8.125 1.00 0.00 C ATOM 1071 O LYS A 69 33.642 2.957 8.336 1.00 0.00 O ATOM 1072 CB LYS A 69 35.880 1.387 6.531 1.00 0.00 C ATOM 1073 CG LYS A 69 36.050 2.785 5.896 1.00 0.00 C ATOM 1074 CD LYS A 69 37.424 3.405 6.207 1.00 0.00 C ATOM 1075 CE LYS A 69 38.574 2.598 5.574 1.00 0.00 C ATOM 1076 NZ LYS A 69 38.497 2.615 4.094 1.00 0.00 N ATOM 0 H LYS A 69 35.921 -0.668 7.966 1.00 0.00 H new ATOM 0 HA LYS A 69 36.088 2.107 8.559 1.00 0.00 H new ATOM 0 HB2 LYS A 69 36.820 0.843 6.432 1.00 0.00 H new ATOM 0 HB3 LYS A 69 35.131 0.835 5.963 1.00 0.00 H new ATOM 0 HG2 LYS A 69 35.924 2.709 4.816 1.00 0.00 H new ATOM 0 HG3 LYS A 69 35.264 3.446 6.262 1.00 0.00 H new ATOM 0 HD2 LYS A 69 37.452 4.430 5.836 1.00 0.00 H new ATOM 0 HD3 LYS A 69 37.565 3.453 7.287 1.00 0.00 H new ATOM 0 HE2 LYS A 69 39.530 3.012 5.895 1.00 0.00 H new ATOM 0 HE3 LYS A 69 38.537 1.568 5.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 39.383 2.243 3.696 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 37.701 2.023 3.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 38.353 3.591 3.765 1.00 0.00 H new ATOM 1090 N TRP A 70 33.098 0.788 7.930 1.00 0.00 N ATOM 1091 CA TRP A 70 31.651 0.938 8.196 1.00 0.00 C ATOM 1092 C TRP A 70 31.407 1.239 9.699 1.00 0.00 C ATOM 1093 O TRP A 70 30.648 2.153 10.045 1.00 0.00 O ATOM 1094 CB TRP A 70 30.904 -0.341 7.750 1.00 0.00 C ATOM 1095 CG TRP A 70 29.401 -0.290 7.889 1.00 0.00 C ATOM 1096 CD1 TRP A 70 28.513 0.365 7.079 1.00 0.00 C ATOM 1097 CD2 TRP A 70 28.614 -0.928 8.904 1.00 0.00 C ATOM 1098 NE1 TRP A 70 27.230 0.140 7.509 1.00 0.00 N ATOM 1099 CE2 TRP A 70 27.267 -0.648 8.629 1.00 0.00 C ATOM 1100 CE3 TRP A 70 28.924 -1.732 9.996 1.00 0.00 C ATOM 1101 CZ2 TRP A 70 26.234 -1.115 9.429 1.00 0.00 C ATOM 1102 CZ3 TRP A 70 27.901 -2.201 10.790 1.00 0.00 C ATOM 1103 CH2 TRP A 70 26.567 -1.895 10.501 1.00 0.00 C ATOM 0 H TRP A 70 33.363 -0.136 7.588 1.00 0.00 H new ATOM 0 HA TRP A 70 31.263 1.780 7.623 1.00 0.00 H new ATOM 0 HB2 TRP A 70 31.150 -0.541 6.707 1.00 0.00 H new ATOM 0 HB3 TRP A 70 31.278 -1.183 8.333 1.00 0.00 H new ATOM 0 HD1 TRP A 70 28.783 0.970 6.226 1.00 0.00 H new ATOM 0 HE1 TRP A 70 26.385 0.501 7.066 1.00 0.00 H new ATOM 0 HE3 TRP A 70 29.950 -1.984 10.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 25.204 -0.871 9.213 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 28.132 -2.814 11.648 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.785 -2.283 11.137 1.00 0.00 H new ATOM 1114 N LEU A 71 32.092 0.483 10.585 1.00 0.00 N ATOM 1115 CA LEU A 71 32.058 0.738 12.049 1.00 0.00 C ATOM 1116 C LEU A 71 32.662 2.130 12.392 1.00 0.00 C ATOM 1117 O LEU A 71 32.324 2.719 13.420 1.00 0.00 O ATOM 1118 CB LEU A 71 32.806 -0.381 12.852 1.00 0.00 C ATOM 1119 CG LEU A 71 32.086 -1.762 13.047 1.00 0.00 C ATOM 1120 CD1 LEU A 71 30.672 -1.582 13.625 1.00 0.00 C ATOM 1121 CD2 LEU A 71 32.065 -2.596 11.758 1.00 0.00 C ATOM 0 H LEU A 71 32.676 -0.309 10.316 1.00 0.00 H new ATOM 0 HA LEU A 71 31.009 0.727 12.347 1.00 0.00 H new ATOM 0 HB2 LEU A 71 33.757 -0.569 12.354 1.00 0.00 H new ATOM 0 HB3 LEU A 71 33.037 0.016 13.840 1.00 0.00 H new ATOM 0 HG LEU A 71 32.673 -2.323 13.774 1.00 0.00 H new ATOM 0 HD11 LEU A 71 30.202 -2.558 13.747 1.00 0.00 H new ATOM 0 HD12 LEU A 71 30.735 -1.086 14.593 1.00 0.00 H new ATOM 0 HD13 LEU A 71 30.075 -0.975 12.944 1.00 0.00 H new ATOM 0 HD21 LEU A 71 31.556 -3.542 11.945 1.00 0.00 H new ATOM 0 HD22 LEU A 71 31.536 -2.047 10.978 1.00 0.00 H new ATOM 0 HD23 LEU A 71 33.087 -2.792 11.435 1.00 0.00 H new ATOM 1133 N GLU A 72 33.556 2.631 11.512 1.00 0.00 N ATOM 1134 CA GLU A 72 34.239 3.928 11.682 1.00 0.00 C ATOM 1135 C GLU A 72 33.288 5.104 11.390 1.00 0.00 C ATOM 1136 O GLU A 72 33.386 6.155 12.038 1.00 0.00 O ATOM 1137 CB GLU A 72 35.476 4.009 10.755 1.00 0.00 C ATOM 1138 CG GLU A 72 36.340 5.277 10.911 1.00 0.00 C ATOM 1139 CD GLU A 72 37.481 5.356 9.888 1.00 0.00 C ATOM 1140 OE1 GLU A 72 37.264 5.896 8.779 1.00 0.00 O ATOM 1141 OE2 GLU A 72 38.589 4.862 10.179 1.00 0.00 O ATOM 0 H GLU A 72 33.825 2.142 10.658 1.00 0.00 H new ATOM 0 HA GLU A 72 34.562 4.001 12.720 1.00 0.00 H new ATOM 0 HB2 GLU A 72 36.104 3.137 10.939 1.00 0.00 H new ATOM 0 HB3 GLU A 72 35.138 3.946 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 72 35.705 6.157 10.808 1.00 0.00 H new ATOM 0 HG3 GLU A 72 36.759 5.303 11.917 1.00 0.00 H new ATOM 1148 N GLU A 73 32.373 4.935 10.399 1.00 0.00 N ATOM 1149 CA GLU A 73 31.380 5.982 10.073 1.00 0.00 C ATOM 1150 C GLU A 73 30.325 6.066 11.197 1.00 0.00 C ATOM 1151 O GLU A 73 29.734 7.122 11.432 1.00 0.00 O ATOM 1152 CB GLU A 73 30.757 5.807 8.636 1.00 0.00 C ATOM 1153 CG GLU A 73 29.645 4.745 8.446 1.00 0.00 C ATOM 1154 CD GLU A 73 28.254 5.186 8.969 1.00 0.00 C ATOM 1155 OE1 GLU A 73 27.740 6.230 8.525 1.00 0.00 O ATOM 1156 OE2 GLU A 73 27.685 4.510 9.838 1.00 0.00 O ATOM 0 H GLU A 73 32.306 4.096 9.823 1.00 0.00 H new ATOM 0 HA GLU A 73 31.892 6.943 10.027 1.00 0.00 H new ATOM 0 HB2 GLU A 73 30.353 6.771 8.328 1.00 0.00 H new ATOM 0 HB3 GLU A 73 31.568 5.567 7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 73 29.564 4.505 7.386 1.00 0.00 H new ATOM 0 HG3 GLU A 73 29.940 3.829 8.958 1.00 0.00 H new ATOM 1163 N LYS A 74 30.098 4.917 11.873 1.00 0.00 N ATOM 1164 CA LYS A 74 29.251 4.829 13.086 1.00 0.00 C ATOM 1165 C LYS A 74 29.907 5.541 14.295 1.00 0.00 C ATOM 1166 O LYS A 74 29.219 5.931 15.249 1.00 0.00 O ATOM 1167 CB LYS A 74 28.999 3.336 13.428 1.00 0.00 C ATOM 1168 CG LYS A 74 28.295 2.546 12.303 1.00 0.00 C ATOM 1169 CD LYS A 74 28.195 1.040 12.585 1.00 0.00 C ATOM 1170 CE LYS A 74 27.335 0.706 13.811 1.00 0.00 C ATOM 1171 NZ LYS A 74 25.939 1.195 13.658 1.00 0.00 N ATOM 0 H LYS A 74 30.498 4.022 11.592 1.00 0.00 H new ATOM 0 HA LYS A 74 28.306 5.331 12.879 1.00 0.00 H new ATOM 0 HB2 LYS A 74 29.953 2.859 13.651 1.00 0.00 H new ATOM 0 HB3 LYS A 74 28.394 3.278 14.333 1.00 0.00 H new ATOM 0 HG2 LYS A 74 27.292 2.948 12.159 1.00 0.00 H new ATOM 0 HG3 LYS A 74 28.836 2.698 11.369 1.00 0.00 H new ATOM 0 HD2 LYS A 74 27.777 0.541 11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 74 29.197 0.638 12.733 1.00 0.00 H new ATOM 0 HE2 LYS A 74 27.327 -0.373 13.966 1.00 0.00 H new ATOM 0 HE3 LYS A 74 27.781 1.152 14.700 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 25.353 0.821 14.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 25.930 2.235 13.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 25.556 0.872 12.747 1.00 0.00 H new ATOM 1185 N SER A 75 31.249 5.667 14.251 1.00 0.00 N ATOM 1186 CA SER A 75 32.040 6.355 15.291 1.00 0.00 C ATOM 1187 C SER A 75 32.054 7.888 15.059 1.00 0.00 C ATOM 1188 O SER A 75 31.883 8.670 16.004 1.00 0.00 O ATOM 1189 CB SER A 75 33.484 5.793 15.315 1.00 0.00 C ATOM 1190 OG SER A 75 33.479 4.382 15.467 1.00 0.00 O ATOM 0 H SER A 75 31.816 5.293 13.490 1.00 0.00 H new ATOM 0 HA SER A 75 31.573 6.170 16.258 1.00 0.00 H new ATOM 0 HB2 SER A 75 33.998 6.061 14.392 1.00 0.00 H new ATOM 0 HB3 SER A 75 34.042 6.248 16.133 1.00 0.00 H new ATOM 0 HG SER A 75 33.094 3.968 14.667 1.00 0.00 H new ATOM 1196 N LYS A 76 32.270 8.299 13.794 1.00 0.00 N ATOM 1197 CA LYS A 76 32.262 9.725 13.372 1.00 0.00 C ATOM 1198 C LYS A 76 30.788 10.193 13.157 1.00 0.00 C ATOM 1199 O LYS A 76 29.886 9.351 13.228 1.00 0.00 O ATOM 1200 CB LYS A 76 33.132 9.893 12.075 1.00 0.00 C ATOM 1201 CG LYS A 76 32.496 9.346 10.777 1.00 0.00 C ATOM 1202 CD LYS A 76 33.465 9.351 9.562 1.00 0.00 C ATOM 1203 CE LYS A 76 34.692 8.444 9.781 1.00 0.00 C ATOM 1204 NZ LYS A 76 35.537 8.318 8.565 1.00 0.00 N ATOM 0 H LYS A 76 32.456 7.652 13.028 1.00 0.00 H new ATOM 0 HA LYS A 76 32.700 10.354 14.147 1.00 0.00 H new ATOM 0 HB2 LYS A 76 33.347 10.953 11.936 1.00 0.00 H new ATOM 0 HB3 LYS A 76 34.087 9.392 12.231 1.00 0.00 H new ATOM 0 HG2 LYS A 76 32.151 8.327 10.952 1.00 0.00 H new ATOM 0 HG3 LYS A 76 31.617 9.943 10.533 1.00 0.00 H new ATOM 0 HD2 LYS A 76 32.928 9.022 8.672 1.00 0.00 H new ATOM 0 HD3 LYS A 76 33.800 10.371 9.373 1.00 0.00 H new ATOM 0 HE2 LYS A 76 35.294 8.845 10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 76 34.356 7.454 10.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 36.131 7.467 8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 34.928 8.241 7.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 36.145 9.157 8.476 1.00 0.00 H new ATOM 1218 N PRO A 77 30.492 11.531 12.943 1.00 0.00 N ATOM 1219 CA PRO A 77 29.116 11.992 12.585 1.00 0.00 C ATOM 1220 C PRO A 77 28.595 11.266 11.320 1.00 0.00 C ATOM 1221 O PRO A 77 29.367 11.038 10.371 1.00 0.00 O ATOM 1222 CB PRO A 77 29.286 13.525 12.344 1.00 0.00 C ATOM 1223 CG PRO A 77 30.760 13.716 12.142 1.00 0.00 C ATOM 1224 CD PRO A 77 31.422 12.689 13.035 1.00 0.00 C ATOM 0 HA PRO A 77 28.381 11.775 13.360 1.00 0.00 H new ATOM 0 HB2 PRO A 77 28.721 13.854 11.472 1.00 0.00 H new ATOM 0 HB3 PRO A 77 28.925 14.102 13.195 1.00 0.00 H new ATOM 0 HG2 PRO A 77 31.037 13.566 11.098 1.00 0.00 H new ATOM 0 HG3 PRO A 77 31.066 14.727 12.411 1.00 0.00 H new ATOM 0 HD2 PRO A 77 32.423 12.434 12.687 1.00 0.00 H new ATOM 0 HD3 PRO A 77 31.523 13.047 14.059 1.00 0.00 H new ATOM 1232 N VAL A 78 27.303 10.879 11.342 1.00 0.00 N ATOM 1233 CA VAL A 78 26.657 10.123 10.252 1.00 0.00 C ATOM 1234 C VAL A 78 26.557 11.005 8.988 1.00 0.00 C ATOM 1235 O VAL A 78 25.604 11.779 8.806 1.00 0.00 O ATOM 1236 CB VAL A 78 25.234 9.584 10.685 1.00 0.00 C ATOM 1237 CG1 VAL A 78 24.568 8.757 9.550 1.00 0.00 C ATOM 1238 CG2 VAL A 78 25.338 8.763 11.999 1.00 0.00 C ATOM 0 H VAL A 78 26.677 11.084 12.121 1.00 0.00 H new ATOM 0 HA VAL A 78 27.273 9.253 10.025 1.00 0.00 H new ATOM 0 HB VAL A 78 24.591 10.444 10.873 1.00 0.00 H new ATOM 0 HG11 VAL A 78 23.592 8.403 9.882 1.00 0.00 H new ATOM 0 HG12 VAL A 78 24.445 9.384 8.667 1.00 0.00 H new ATOM 0 HG13 VAL A 78 25.199 7.903 9.303 1.00 0.00 H new ATOM 0 HG21 VAL A 78 24.349 8.401 12.281 1.00 0.00 H new ATOM 0 HG22 VAL A 78 26.005 7.915 11.846 1.00 0.00 H new ATOM 0 HG23 VAL A 78 25.732 9.396 12.794 1.00 0.00 H new ATOM 1248 N THR A 79 27.608 10.918 8.163 1.00 0.00 N ATOM 1249 CA THR A 79 27.794 11.727 6.947 1.00 0.00 C ATOM 1250 C THR A 79 28.145 10.811 5.759 1.00 0.00 C ATOM 1251 O THR A 79 28.813 11.232 4.802 1.00 0.00 O ATOM 1252 CB THR A 79 28.921 12.797 7.182 1.00 0.00 C ATOM 1253 OG1 THR A 79 30.118 12.146 7.646 1.00 0.00 O ATOM 1254 CG2 THR A 79 28.502 13.874 8.202 1.00 0.00 C ATOM 0 H THR A 79 28.375 10.265 8.326 1.00 0.00 H new ATOM 0 HA THR A 79 26.867 12.252 6.716 1.00 0.00 H new ATOM 0 HB THR A 79 29.101 13.293 6.228 1.00 0.00 H new ATOM 0 HG1 THR A 79 29.962 11.772 8.538 1.00 0.00 H new ATOM 0 HG21 THR A 79 29.314 14.590 8.330 1.00 0.00 H new ATOM 0 HG22 THR A 79 27.615 14.393 7.839 1.00 0.00 H new ATOM 0 HG23 THR A 79 28.280 13.402 9.159 1.00 0.00 H new ATOM 1262 N LEU A 80 27.644 9.560 5.823 1.00 0.00 N ATOM 1263 CA LEU A 80 27.923 8.517 4.828 1.00 0.00 C ATOM 1264 C LEU A 80 27.155 8.805 3.520 1.00 0.00 C ATOM 1265 O LEU A 80 25.980 8.437 3.370 1.00 0.00 O ATOM 1266 CB LEU A 80 27.544 7.126 5.399 1.00 0.00 C ATOM 1267 CG LEU A 80 28.038 5.877 4.596 1.00 0.00 C ATOM 1268 CD1 LEU A 80 29.585 5.830 4.541 1.00 0.00 C ATOM 1269 CD2 LEU A 80 27.451 4.568 5.182 1.00 0.00 C ATOM 0 H LEU A 80 27.030 9.248 6.575 1.00 0.00 H new ATOM 0 HA LEU A 80 28.989 8.517 4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 80 27.938 7.056 6.413 1.00 0.00 H new ATOM 0 HB3 LEU A 80 26.458 7.074 5.475 1.00 0.00 H new ATOM 0 HG LEU A 80 27.674 5.969 3.573 1.00 0.00 H new ATOM 0 HD11 LEU A 80 29.903 4.953 3.977 1.00 0.00 H new ATOM 0 HD12 LEU A 80 29.959 6.730 4.053 1.00 0.00 H new ATOM 0 HD13 LEU A 80 29.984 5.774 5.554 1.00 0.00 H new ATOM 0 HD21 LEU A 80 27.811 3.717 4.604 1.00 0.00 H new ATOM 0 HD22 LEU A 80 27.765 4.461 6.220 1.00 0.00 H new ATOM 0 HD23 LEU A 80 26.363 4.604 5.134 1.00 0.00 H new ATOM 1281 N GLU A 81 27.825 9.518 2.604 1.00 0.00 N ATOM 1282 CA GLU A 81 27.282 9.859 1.274 1.00 0.00 C ATOM 1283 C GLU A 81 27.423 8.672 0.299 1.00 0.00 C ATOM 1284 O GLU A 81 26.850 8.690 -0.789 1.00 0.00 O ATOM 1285 CB GLU A 81 27.971 11.146 0.733 1.00 0.00 C ATOM 1286 CG GLU A 81 29.489 11.034 0.403 1.00 0.00 C ATOM 1287 CD GLU A 81 29.797 10.717 -1.077 1.00 0.00 C ATOM 1288 OE1 GLU A 81 29.767 11.653 -1.900 1.00 0.00 O ATOM 1289 OE2 GLU A 81 30.054 9.545 -1.424 1.00 0.00 O ATOM 0 H GLU A 81 28.766 9.879 2.763 1.00 0.00 H new ATOM 0 HA GLU A 81 26.216 10.065 1.367 1.00 0.00 H new ATOM 0 HB2 GLU A 81 27.448 11.459 -0.170 1.00 0.00 H new ATOM 0 HB3 GLU A 81 27.839 11.939 1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 81 29.977 11.971 0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 81 29.928 10.256 1.028 1.00 0.00 H new ATOM 1296 N GLU A 82 28.202 7.643 0.716 1.00 0.00 N ATOM 1297 CA GLU A 82 28.348 6.361 -0.011 1.00 0.00 C ATOM 1298 C GLU A 82 26.989 5.629 -0.121 1.00 0.00 C ATOM 1299 O GLU A 82 26.781 4.818 -1.024 1.00 0.00 O ATOM 1300 CB GLU A 82 29.362 5.447 0.725 1.00 0.00 C ATOM 1301 CG GLU A 82 30.759 6.054 0.981 1.00 0.00 C ATOM 1302 CD GLU A 82 31.566 6.353 -0.286 1.00 0.00 C ATOM 1303 OE1 GLU A 82 31.685 5.448 -1.153 1.00 0.00 O ATOM 1304 OE2 GLU A 82 32.124 7.467 -0.411 1.00 0.00 O ATOM 0 H GLU A 82 28.751 7.682 1.575 1.00 0.00 H new ATOM 0 HA GLU A 82 28.711 6.582 -1.015 1.00 0.00 H new ATOM 0 HB2 GLU A 82 28.932 5.159 1.684 1.00 0.00 H new ATOM 0 HB3 GLU A 82 29.486 4.533 0.144 1.00 0.00 H new ATOM 0 HG2 GLU A 82 30.641 6.978 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 82 31.330 5.368 1.606 1.00 0.00 H new ATOM 1311 N LEU A 83 26.082 5.930 0.839 1.00 0.00 N ATOM 1312 CA LEU A 83 24.701 5.400 0.883 1.00 0.00 C ATOM 1313 C LEU A 83 23.942 5.774 -0.423 1.00 0.00 C ATOM 1314 O LEU A 83 23.105 5.006 -0.909 1.00 0.00 O ATOM 1315 CB LEU A 83 23.987 5.969 2.166 1.00 0.00 C ATOM 1316 CG LEU A 83 22.716 5.223 2.724 1.00 0.00 C ATOM 1317 CD1 LEU A 83 21.454 5.420 1.850 1.00 0.00 C ATOM 1318 CD2 LEU A 83 23.016 3.726 2.958 1.00 0.00 C ATOM 0 H LEU A 83 26.294 6.557 1.615 1.00 0.00 H new ATOM 0 HA LEU A 83 24.710 4.312 0.944 1.00 0.00 H new ATOM 0 HB2 LEU A 83 24.726 6.004 2.966 1.00 0.00 H new ATOM 0 HB3 LEU A 83 23.698 6.998 1.953 1.00 0.00 H new ATOM 0 HG LEU A 83 22.484 5.684 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 83 20.617 4.880 2.292 1.00 0.00 H new ATOM 0 HD12 LEU A 83 21.212 6.481 1.794 1.00 0.00 H new ATOM 0 HD13 LEU A 83 21.643 5.038 0.847 1.00 0.00 H new ATOM 0 HD21 LEU A 83 22.124 3.232 3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 83 23.310 3.262 2.016 1.00 0.00 H new ATOM 0 HD23 LEU A 83 23.826 3.626 3.680 1.00 0.00 H new ATOM 1330 N LYS A 84 24.285 6.951 -0.988 1.00 0.00 N ATOM 1331 CA LYS A 84 23.646 7.497 -2.200 1.00 0.00 C ATOM 1332 C LYS A 84 24.050 6.700 -3.455 1.00 0.00 C ATOM 1333 O LYS A 84 25.218 6.323 -3.616 1.00 0.00 O ATOM 1334 CB LYS A 84 24.027 8.993 -2.380 1.00 0.00 C ATOM 1335 CG LYS A 84 23.668 9.896 -1.181 1.00 0.00 C ATOM 1336 CD LYS A 84 22.154 9.906 -0.861 1.00 0.00 C ATOM 1337 CE LYS A 84 21.792 10.912 0.246 1.00 0.00 C ATOM 1338 NZ LYS A 84 22.105 12.311 -0.153 1.00 0.00 N ATOM 0 H LYS A 84 25.018 7.552 -0.612 1.00 0.00 H new ATOM 0 HA LYS A 84 22.567 7.411 -2.075 1.00 0.00 H new ATOM 0 HB2 LYS A 84 25.100 9.062 -2.562 1.00 0.00 H new ATOM 0 HB3 LYS A 84 23.528 9.377 -3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 84 24.217 9.558 -0.302 1.00 0.00 H new ATOM 0 HG3 LYS A 84 23.996 10.914 -1.390 1.00 0.00 H new ATOM 0 HD2 LYS A 84 21.596 10.150 -1.765 1.00 0.00 H new ATOM 0 HD3 LYS A 84 21.844 8.907 -0.555 1.00 0.00 H new ATOM 0 HE2 LYS A 84 20.730 10.830 0.479 1.00 0.00 H new ATOM 0 HE3 LYS A 84 22.338 10.663 1.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 21.653 12.971 0.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 23.135 12.454 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 21.746 12.487 -1.113 1.00 0.00 H new ATOM 1352 N SER A 85 23.057 6.470 -4.330 1.00 0.00 N ATOM 1353 CA SER A 85 23.206 5.762 -5.613 1.00 0.00 C ATOM 1354 C SER A 85 21.913 5.960 -6.442 1.00 0.00 C ATOM 1355 O SER A 85 20.953 6.581 -5.963 1.00 0.00 O ATOM 1356 CB SER A 85 23.503 4.251 -5.376 1.00 0.00 C ATOM 1357 OG SER A 85 23.747 3.558 -6.594 1.00 0.00 O ATOM 0 H SER A 85 22.100 6.780 -4.159 1.00 0.00 H new ATOM 0 HA SER A 85 24.051 6.172 -6.166 1.00 0.00 H new ATOM 0 HB2 SER A 85 24.369 4.150 -4.722 1.00 0.00 H new ATOM 0 HB3 SER A 85 22.659 3.792 -4.861 1.00 0.00 H new ATOM 0 HG SER A 85 23.930 2.615 -6.402 1.00 0.00 H new ATOM 1363 N TYR A 86 21.895 5.435 -7.684 1.00 0.00 N ATOM 1364 CA TYR A 86 20.709 5.482 -8.573 1.00 0.00 C ATOM 1365 C TYR A 86 19.600 4.507 -8.098 1.00 0.00 C ATOM 1366 O TYR A 86 19.766 3.794 -7.100 1.00 0.00 O ATOM 1367 CB TYR A 86 21.131 5.193 -10.046 1.00 0.00 C ATOM 1368 CG TYR A 86 21.747 3.799 -10.296 1.00 0.00 C ATOM 1369 CD1 TYR A 86 23.089 3.539 -10.006 1.00 0.00 C ATOM 1370 CD2 TYR A 86 20.987 2.750 -10.826 1.00 0.00 C ATOM 1371 CE1 TYR A 86 23.645 2.296 -10.230 1.00 0.00 C ATOM 1372 CE2 TYR A 86 21.543 1.506 -11.048 1.00 0.00 C ATOM 1373 CZ TYR A 86 22.869 1.284 -10.752 1.00 0.00 C ATOM 1374 OH TYR A 86 23.419 0.041 -10.981 1.00 0.00 O ATOM 0 H TYR A 86 22.699 4.967 -8.101 1.00 0.00 H new ATOM 0 HA TYR A 86 20.287 6.486 -8.527 1.00 0.00 H new ATOM 0 HB2 TYR A 86 20.256 5.305 -10.686 1.00 0.00 H new ATOM 0 HB3 TYR A 86 21.851 5.951 -10.355 1.00 0.00 H new ATOM 0 HD1 TYR A 86 23.704 4.327 -9.598 1.00 0.00 H new ATOM 0 HD2 TYR A 86 19.947 2.917 -11.066 1.00 0.00 H new ATOM 0 HE1 TYR A 86 24.684 2.117 -9.997 1.00 0.00 H new ATOM 0 HE2 TYR A 86 20.939 0.708 -11.453 1.00 0.00 H new ATOM 0 HH TYR A 86 22.735 -0.556 -11.350 1.00 0.00 H new ATOM 1384 N GLY A 87 18.475 4.486 -8.836 1.00 0.00 N ATOM 1385 CA GLY A 87 17.313 3.659 -8.482 1.00 0.00 C ATOM 1386 C GLY A 87 16.261 4.450 -7.711 1.00 0.00 C ATOM 1387 O GLY A 87 15.573 3.901 -6.843 1.00 0.00 O ATOM 0 H GLY A 87 18.349 5.037 -9.685 1.00 0.00 H new ATOM 0 HA2 GLY A 87 16.867 3.253 -9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 87 17.641 2.811 -7.881 1.00 0.00 H new ATOM 1391 N PHE A 88 16.149 5.752 -8.042 1.00 0.00 N ATOM 1392 CA PHE A 88 15.190 6.685 -7.422 1.00 0.00 C ATOM 1393 C PHE A 88 13.755 6.364 -7.899 1.00 0.00 C ATOM 1394 O PHE A 88 13.430 6.576 -9.072 1.00 0.00 O ATOM 1395 CB PHE A 88 15.551 8.151 -7.792 1.00 0.00 C ATOM 1396 CG PHE A 88 16.994 8.557 -7.478 1.00 0.00 C ATOM 1397 CD1 PHE A 88 17.407 8.780 -6.163 1.00 0.00 C ATOM 1398 CD2 PHE A 88 17.932 8.719 -8.499 1.00 0.00 C ATOM 1399 CE1 PHE A 88 18.712 9.153 -5.883 1.00 0.00 C ATOM 1400 CE2 PHE A 88 19.230 9.094 -8.217 1.00 0.00 C ATOM 1401 CZ PHE A 88 19.622 9.312 -6.911 1.00 0.00 C ATOM 0 H PHE A 88 16.730 6.190 -8.757 1.00 0.00 H new ATOM 0 HA PHE A 88 15.241 6.570 -6.339 1.00 0.00 H new ATOM 0 HB2 PHE A 88 15.371 8.297 -8.857 1.00 0.00 H new ATOM 0 HB3 PHE A 88 14.876 8.822 -7.260 1.00 0.00 H new ATOM 0 HD1 PHE A 88 16.701 8.660 -5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 88 17.638 8.548 -9.524 1.00 0.00 H new ATOM 0 HE1 PHE A 88 19.018 9.320 -4.861 1.00 0.00 H new ATOM 0 HE2 PHE A 88 19.941 9.217 -9.020 1.00 0.00 H new ATOM 0 HZ PHE A 88 20.638 9.606 -6.693 1.00 0.00 H new ATOM 1411 N GLY A 89 12.924 5.828 -6.990 1.00 0.00 N ATOM 1412 CA GLY A 89 11.536 5.458 -7.299 1.00 0.00 C ATOM 1413 C GLY A 89 11.276 3.982 -7.036 1.00 0.00 C ATOM 1414 O GLY A 89 12.219 3.202 -6.834 1.00 0.00 O ATOM 0 H GLY A 89 13.195 5.640 -6.025 1.00 0.00 H new ATOM 0 HA2 GLY A 89 10.856 6.060 -6.697 1.00 0.00 H new ATOM 0 HA3 GLY A 89 11.323 5.685 -8.344 1.00 0.00 H new ATOM 1418 N GLU A 90 9.988 3.600 -7.032 1.00 0.00 N ATOM 1419 CA GLU A 90 9.545 2.219 -6.744 1.00 0.00 C ATOM 1420 C GLU A 90 8.489 1.752 -7.766 1.00 0.00 C ATOM 1421 O GLU A 90 7.744 0.805 -7.503 1.00 0.00 O ATOM 1422 CB GLU A 90 8.999 2.138 -5.288 1.00 0.00 C ATOM 1423 CG GLU A 90 7.807 3.080 -4.981 1.00 0.00 C ATOM 1424 CD GLU A 90 7.399 3.084 -3.498 1.00 0.00 C ATOM 1425 OE1 GLU A 90 7.976 3.867 -2.714 1.00 0.00 O ATOM 1426 OE2 GLU A 90 6.515 2.297 -3.103 1.00 0.00 O ATOM 0 H GLU A 90 9.219 4.241 -7.229 1.00 0.00 H new ATOM 0 HA GLU A 90 10.399 1.547 -6.834 1.00 0.00 H new ATOM 0 HB2 GLU A 90 8.692 1.111 -5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 90 9.811 2.368 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.069 4.095 -5.281 1.00 0.00 H new ATOM 0 HG3 GLU A 90 6.951 2.780 -5.585 1.00 0.00 H new ATOM 1433 N GLU A 91 8.450 2.398 -8.949 1.00 0.00 N ATOM 1434 CA GLU A 91 7.511 2.018 -10.023 1.00 0.00 C ATOM 1435 C GLU A 91 7.937 0.667 -10.637 1.00 0.00 C ATOM 1436 O GLU A 91 7.100 -0.196 -10.906 1.00 0.00 O ATOM 1437 CB GLU A 91 7.445 3.120 -11.108 1.00 0.00 C ATOM 1438 CG GLU A 91 6.268 2.978 -12.094 1.00 0.00 C ATOM 1439 CD GLU A 91 4.899 3.190 -11.411 1.00 0.00 C ATOM 1440 OE1 GLU A 91 4.520 4.361 -11.187 1.00 0.00 O ATOM 1441 OE2 GLU A 91 4.217 2.199 -11.076 1.00 0.00 O ATOM 0 H GLU A 91 9.057 3.184 -9.184 1.00 0.00 H new ATOM 0 HA GLU A 91 6.514 1.910 -9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 91 7.376 4.091 -10.618 1.00 0.00 H new ATOM 0 HB3 GLU A 91 8.378 3.113 -11.672 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.384 3.701 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.295 1.987 -12.548 1.00 0.00 H new ATOM 1448 N GLY A 92 9.258 0.506 -10.826 1.00 0.00 N ATOM 1449 CA GLY A 92 9.847 -0.735 -11.334 1.00 0.00 C ATOM 1450 C GLY A 92 10.859 -0.496 -12.453 1.00 0.00 C ATOM 1451 O GLY A 92 11.289 0.642 -12.691 1.00 0.00 O ATOM 0 H GLY A 92 9.943 1.235 -10.629 1.00 0.00 H new ATOM 0 HA2 GLY A 92 10.336 -1.262 -10.515 1.00 0.00 H new ATOM 0 HA3 GLY A 92 9.053 -1.385 -11.701 1.00 0.00 H new ATOM 1455 N GLU A 93 11.241 -1.592 -13.125 1.00 0.00 N ATOM 1456 CA GLU A 93 12.187 -1.591 -14.254 1.00 0.00 C ATOM 1457 C GLU A 93 11.941 -2.860 -15.083 1.00 0.00 C ATOM 1458 O GLU A 93 11.639 -2.798 -16.282 1.00 0.00 O ATOM 1459 CB GLU A 93 13.661 -1.541 -13.740 1.00 0.00 C ATOM 1460 CG GLU A 93 14.741 -1.661 -14.841 1.00 0.00 C ATOM 1461 CD GLU A 93 16.181 -1.569 -14.303 1.00 0.00 C ATOM 1462 OE1 GLU A 93 16.699 -2.578 -13.773 1.00 0.00 O ATOM 1463 OE2 GLU A 93 16.800 -0.491 -14.404 1.00 0.00 O ATOM 0 H GLU A 93 10.895 -2.523 -12.895 1.00 0.00 H new ATOM 0 HA GLU A 93 12.030 -0.707 -14.872 1.00 0.00 H new ATOM 0 HB2 GLU A 93 13.812 -0.604 -13.205 1.00 0.00 H new ATOM 0 HB3 GLU A 93 13.806 -2.346 -13.020 1.00 0.00 H new ATOM 0 HG2 GLU A 93 14.616 -2.612 -15.360 1.00 0.00 H new ATOM 0 HG3 GLU A 93 14.586 -0.873 -15.578 1.00 0.00 H new ATOM 1470 N GLY A 94 12.047 -4.006 -14.395 1.00 0.00 N ATOM 1471 CA GLY A 94 11.881 -5.324 -14.996 1.00 0.00 C ATOM 1472 C GLY A 94 12.700 -6.371 -14.265 1.00 0.00 C ATOM 1473 O GLY A 94 13.447 -6.041 -13.332 1.00 0.00 O ATOM 0 H GLY A 94 12.253 -4.037 -13.396 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.828 -5.605 -14.977 1.00 0.00 H new ATOM 0 HA3 GLY A 94 12.183 -5.289 -16.043 1.00 0.00 H new ATOM 1477 N SER A 95 12.555 -7.638 -14.676 1.00 0.00 N ATOM 1478 CA SER A 95 13.291 -8.767 -14.097 1.00 0.00 C ATOM 1479 C SER A 95 13.388 -9.909 -15.146 1.00 0.00 C ATOM 1480 O SER A 95 14.467 -10.063 -15.767 1.00 0.00 O ATOM 1481 CB SER A 95 12.611 -9.225 -12.779 1.00 0.00 C ATOM 1482 OG SER A 95 11.216 -9.446 -12.954 1.00 0.00 O ATOM 1483 OXT SER A 95 12.383 -10.601 -15.391 1.00 0.00 O ATOM 0 H SER A 95 11.918 -7.909 -15.425 1.00 0.00 H new ATOM 0 HA SER A 95 14.307 -8.466 -13.841 1.00 0.00 H new ATOM 0 HB2 SER A 95 13.083 -10.142 -12.426 1.00 0.00 H new ATOM 0 HB3 SER A 95 12.766 -8.470 -12.008 1.00 0.00 H new ATOM 0 HG SER A 95 11.063 -9.916 -13.800 1.00 0.00 H new TER 1489 SER A 95