USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 657 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 SER N :NH3+ 166:sc=-0.00613 (180deg=-0.203) USER MOD Single : A 1 SER OG : rot -59:sc= 1.14 USER MOD Single : A 4 TYR OH : rot 96:sc= 0.129 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.0142 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN :FLIP amide:sc= -1.76 F(o=-3.5!,f=-1.8) USER MOD Single : A 22 ASN : amide:sc= -0.0364 K(o=-0.036,f=-0.89) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot -170:sc= 0.00252 USER MOD Single : A 26 LYS NZ :NH3+ 160:sc= -0.181 (180deg=-0.943) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -166:sc= 0 (180deg=-0.114) USER MOD Single : A 37 SER OG : rot -47:sc= 0.32 USER MOD Single : A 38 LYS NZ :NH3+ 148:sc= -0.423 (180deg=-1.05) USER MOD Single : A 41 LYS NZ :NH3+ -160:sc= -0.106 (180deg=-0.791) USER MOD Single : A 42 SER OG : rot 180:sc= -0.0073 USER MOD Single : A 44 SER OG : rot -170:sc= -0.23 USER MOD Single : A 48 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot 90:sc= 0.606 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 57 SER OG : rot 180:sc=-0.00314 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= -1.69! USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 MET CE :methyl -162:sc= -0.312 (180deg=-1.37!) USER MOD Single : A 76 HIS : no HD1:sc= -0.463 X(o=-0.46,f=-0.032) USER MOD Single : A 79 SER OG : rot 180:sc= -0.401 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 6.303 16.854 -1.050 1.00 0.00 N ATOM 2 CA SER A 1 5.266 16.611 -0.007 1.00 0.00 C ATOM 3 C SER A 1 4.100 15.831 -0.618 1.00 0.00 C ATOM 4 O SER A 1 2.950 16.043 -0.288 1.00 0.00 O ATOM 5 CB SER A 1 4.758 17.951 0.528 1.00 0.00 C ATOM 6 OG SER A 1 3.732 17.715 1.484 1.00 0.00 O ATOM 0 H1 SER A 1 6.973 17.574 -0.712 1.00 0.00 H new ATOM 0 H2 SER A 1 6.814 15.969 -1.244 1.00 0.00 H new ATOM 0 H3 SER A 1 5.846 17.188 -1.922 1.00 0.00 H new ATOM 0 HA SER A 1 5.700 16.034 0.810 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.576 18.507 0.985 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.376 18.561 -0.290 1.00 0.00 H new ATOM 0 HG SER A 1 2.998 17.223 1.061 1.00 0.00 H new ATOM 14 N ASP A 2 4.400 14.937 -1.522 1.00 0.00 N ATOM 15 CA ASP A 2 3.333 14.136 -2.184 1.00 0.00 C ATOM 16 C ASP A 2 2.670 13.200 -1.171 1.00 0.00 C ATOM 17 O ASP A 2 3.274 12.278 -0.659 1.00 0.00 O ATOM 18 CB ASP A 2 3.958 13.317 -3.318 1.00 0.00 C ATOM 19 CG ASP A 2 2.928 12.332 -3.879 1.00 0.00 C ATOM 20 OD1 ASP A 2 2.028 12.777 -4.572 1.00 0.00 O ATOM 21 OD2 ASP A 2 3.057 11.150 -3.605 1.00 0.00 O ATOM 0 H ASP A 2 5.349 14.726 -1.832 1.00 0.00 H new ATOM 0 HA ASP A 2 2.573 14.805 -2.587 1.00 0.00 H new ATOM 0 HB2 ASP A 2 4.307 13.981 -4.109 1.00 0.00 H new ATOM 0 HB3 ASP A 2 4.829 12.775 -2.950 1.00 0.00 H new ATOM 26 N VAL A 3 1.428 13.459 -0.868 1.00 0.00 N ATOM 27 CA VAL A 3 0.689 12.632 0.125 1.00 0.00 C ATOM 28 C VAL A 3 0.329 11.255 -0.455 1.00 0.00 C ATOM 29 O VAL A 3 -0.084 10.370 0.272 1.00 0.00 O ATOM 30 CB VAL A 3 -0.611 13.380 0.526 1.00 0.00 C ATOM 31 CG1 VAL A 3 -0.352 14.886 0.533 1.00 0.00 C ATOM 32 CG2 VAL A 3 -1.762 13.078 -0.446 1.00 0.00 C ATOM 0 H VAL A 3 0.886 14.222 -1.274 1.00 0.00 H new ATOM 0 HA VAL A 3 1.326 12.475 0.996 1.00 0.00 H new ATOM 0 HB VAL A 3 -0.900 13.036 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -1.265 15.411 0.815 1.00 0.00 H new ATOM 0 HG12 VAL A 3 0.435 15.116 1.251 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -0.041 15.206 -0.461 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -2.655 13.619 -0.132 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -1.481 13.392 -1.451 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -1.968 12.008 -0.445 1.00 0.00 H new ATOM 42 N TYR A 4 0.417 11.056 -1.752 1.00 0.00 N ATOM 43 CA TYR A 4 -0.013 9.731 -2.300 1.00 0.00 C ATOM 44 C TYR A 4 1.036 8.647 -1.993 1.00 0.00 C ATOM 45 O TYR A 4 0.718 7.586 -1.498 1.00 0.00 O ATOM 46 CB TYR A 4 -0.289 9.857 -3.806 1.00 0.00 C ATOM 47 CG TYR A 4 -1.736 10.222 -4.061 1.00 0.00 C ATOM 48 CD1 TYR A 4 -2.741 9.270 -3.860 1.00 0.00 C ATOM 49 CD2 TYR A 4 -2.069 11.502 -4.528 1.00 0.00 C ATOM 50 CE1 TYR A 4 -4.076 9.593 -4.122 1.00 0.00 C ATOM 51 CE2 TYR A 4 -3.406 11.827 -4.785 1.00 0.00 C ATOM 52 CZ TYR A 4 -4.410 10.871 -4.583 1.00 0.00 C ATOM 53 OH TYR A 4 -5.728 11.190 -4.842 1.00 0.00 O ATOM 0 H TYR A 4 0.758 11.733 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 4 -0.938 9.423 -1.814 1.00 0.00 H new ATOM 0 HB2 TYR A 4 0.363 10.616 -4.237 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -0.054 8.916 -4.303 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.485 8.284 -3.502 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -1.294 12.237 -4.689 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.850 8.855 -3.968 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -3.664 12.814 -5.139 1.00 0.00 H new ATOM 0 HH TYR A 4 -6.115 11.640 -4.062 1.00 0.00 H new ATOM 63 N CYS A 5 2.283 8.907 -2.298 1.00 0.00 N ATOM 64 CA CYS A 5 3.341 7.885 -2.036 1.00 0.00 C ATOM 65 C CYS A 5 3.340 7.548 -0.535 1.00 0.00 C ATOM 66 O CYS A 5 3.443 6.397 -0.160 1.00 0.00 O ATOM 67 CB CYS A 5 4.715 8.430 -2.459 1.00 0.00 C ATOM 68 SG CYS A 5 5.781 7.038 -2.924 1.00 0.00 S ATOM 0 H CYS A 5 2.612 9.778 -2.715 1.00 0.00 H new ATOM 0 HA CYS A 5 3.138 6.983 -2.614 1.00 0.00 H new ATOM 0 HB2 CYS A 5 4.606 9.118 -3.298 1.00 0.00 H new ATOM 0 HB3 CYS A 5 5.165 8.993 -1.641 1.00 0.00 H new ATOM 73 N GLU A 6 3.251 8.521 0.327 1.00 0.00 N ATOM 74 CA GLU A 6 3.276 8.207 1.786 1.00 0.00 C ATOM 75 C GLU A 6 2.183 7.194 2.119 1.00 0.00 C ATOM 76 O GLU A 6 2.378 6.296 2.914 1.00 0.00 O ATOM 77 CB GLU A 6 3.053 9.486 2.590 1.00 0.00 C ATOM 78 CG GLU A 6 4.056 10.541 2.133 1.00 0.00 C ATOM 79 CD GLU A 6 5.478 10.059 2.424 1.00 0.00 C ATOM 80 OE1 GLU A 6 5.731 9.672 3.554 1.00 0.00 O ATOM 81 OE2 GLU A 6 6.290 10.085 1.514 1.00 0.00 O ATOM 0 H GLU A 6 3.163 9.509 0.091 1.00 0.00 H new ATOM 0 HA GLU A 6 4.246 7.782 2.043 1.00 0.00 H new ATOM 0 HB2 GLU A 6 2.035 9.848 2.447 1.00 0.00 H new ATOM 0 HB3 GLU A 6 3.174 9.287 3.655 1.00 0.00 H new ATOM 0 HG2 GLU A 6 3.937 10.732 1.066 1.00 0.00 H new ATOM 0 HG3 GLU A 6 3.868 11.483 2.648 1.00 0.00 H new ATOM 88 N VAL A 7 1.029 7.340 1.536 1.00 0.00 N ATOM 89 CA VAL A 7 -0.081 6.393 1.844 1.00 0.00 C ATOM 90 C VAL A 7 0.205 4.999 1.245 1.00 0.00 C ATOM 91 O VAL A 7 -0.090 3.993 1.860 1.00 0.00 O ATOM 92 CB VAL A 7 -1.399 6.975 1.308 1.00 0.00 C ATOM 93 CG1 VAL A 7 -2.499 5.907 1.355 1.00 0.00 C ATOM 94 CG2 VAL A 7 -1.824 8.205 2.147 1.00 0.00 C ATOM 0 H VAL A 7 0.804 8.071 0.861 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.164 6.266 2.923 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.249 7.289 0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -3.430 6.327 0.974 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.206 5.056 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.644 5.579 2.384 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -2.759 8.607 1.756 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -1.964 7.906 3.186 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.049 8.969 2.091 1.00 0.00 H new ATOM 104 N CYS A 8 0.778 4.911 0.067 1.00 0.00 N ATOM 105 CA CYS A 8 1.072 3.561 -0.517 1.00 0.00 C ATOM 106 C CYS A 8 2.039 2.816 0.398 1.00 0.00 C ATOM 107 O CYS A 8 1.855 1.650 0.683 1.00 0.00 O ATOM 108 CB CYS A 8 1.685 3.722 -1.910 1.00 0.00 C ATOM 109 SG CYS A 8 2.281 2.120 -2.520 1.00 0.00 S ATOM 0 H CYS A 8 1.052 5.706 -0.510 1.00 0.00 H new ATOM 0 HA CYS A 8 0.147 2.991 -0.604 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.943 4.128 -2.597 1.00 0.00 H new ATOM 0 HB3 CYS A 8 2.509 4.435 -1.873 1.00 0.00 H new ATOM 114 N GLU A 9 3.069 3.467 0.872 1.00 0.00 N ATOM 115 CA GLU A 9 4.019 2.766 1.766 1.00 0.00 C ATOM 116 C GLU A 9 3.305 2.439 3.077 1.00 0.00 C ATOM 117 O GLU A 9 3.613 1.456 3.721 1.00 0.00 O ATOM 118 CB GLU A 9 5.230 3.677 2.054 1.00 0.00 C ATOM 119 CG GLU A 9 6.302 3.493 0.974 1.00 0.00 C ATOM 120 CD GLU A 9 7.461 4.455 1.237 1.00 0.00 C ATOM 121 OE1 GLU A 9 8.002 4.416 2.331 1.00 0.00 O ATOM 122 OE2 GLU A 9 7.791 5.215 0.341 1.00 0.00 O ATOM 0 H GLU A 9 3.287 4.444 0.678 1.00 0.00 H new ATOM 0 HA GLU A 9 4.368 1.849 1.291 1.00 0.00 H new ATOM 0 HB2 GLU A 9 4.911 4.719 2.086 1.00 0.00 H new ATOM 0 HB3 GLU A 9 5.646 3.441 3.033 1.00 0.00 H new ATOM 0 HG2 GLU A 9 6.662 2.464 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 9 5.876 3.680 -0.012 1.00 0.00 H new ATOM 129 N PHE A 10 2.351 3.236 3.489 1.00 0.00 N ATOM 130 CA PHE A 10 1.654 2.914 4.759 1.00 0.00 C ATOM 131 C PHE A 10 0.801 1.650 4.569 1.00 0.00 C ATOM 132 O PHE A 10 0.847 0.740 5.373 1.00 0.00 O ATOM 133 CB PHE A 10 0.762 4.080 5.186 1.00 0.00 C ATOM 134 CG PHE A 10 0.085 3.710 6.479 1.00 0.00 C ATOM 135 CD1 PHE A 10 0.714 3.978 7.698 1.00 0.00 C ATOM 136 CD2 PHE A 10 -1.159 3.075 6.455 1.00 0.00 C ATOM 137 CE1 PHE A 10 0.098 3.609 8.900 1.00 0.00 C ATOM 138 CE2 PHE A 10 -1.781 2.709 7.656 1.00 0.00 C ATOM 139 CZ PHE A 10 -1.151 2.975 8.879 1.00 0.00 C ATOM 0 H PHE A 10 2.033 4.078 3.008 1.00 0.00 H new ATOM 0 HA PHE A 10 2.397 2.739 5.537 1.00 0.00 H new ATOM 0 HB2 PHE A 10 1.356 4.985 5.314 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.020 4.292 4.416 1.00 0.00 H new ATOM 0 HD1 PHE A 10 1.675 4.470 7.713 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -1.641 2.866 5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 10 0.585 3.813 9.842 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -2.745 2.222 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.628 2.691 9.805 1.00 0.00 H new ATOM 149 N LEU A 11 0.032 1.577 3.511 1.00 0.00 N ATOM 150 CA LEU A 11 -0.801 0.355 3.288 1.00 0.00 C ATOM 151 C LEU A 11 0.122 -0.854 3.140 1.00 0.00 C ATOM 152 O LEU A 11 -0.157 -1.917 3.660 1.00 0.00 O ATOM 153 CB LEU A 11 -1.631 0.487 1.994 1.00 0.00 C ATOM 154 CG LEU A 11 -2.591 1.685 2.086 1.00 0.00 C ATOM 155 CD1 LEU A 11 -3.060 2.077 0.681 1.00 0.00 C ATOM 156 CD2 LEU A 11 -3.820 1.325 2.930 1.00 0.00 C ATOM 0 H LEU A 11 -0.055 2.302 2.799 1.00 0.00 H new ATOM 0 HA LEU A 11 -1.474 0.235 4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -0.965 0.612 1.140 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.198 -0.428 1.825 1.00 0.00 H new ATOM 0 HG LEU A 11 -2.062 2.515 2.553 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.740 2.926 0.748 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -2.198 2.350 0.073 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.576 1.234 0.221 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.488 2.184 2.984 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.344 0.486 2.471 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.503 1.048 3.935 1.00 0.00 H new ATOM 168 N VAL A 12 1.213 -0.721 2.438 1.00 0.00 N ATOM 169 CA VAL A 12 2.133 -1.877 2.269 1.00 0.00 C ATOM 170 C VAL A 12 2.671 -2.334 3.641 1.00 0.00 C ATOM 171 O VAL A 12 2.662 -3.507 3.950 1.00 0.00 O ATOM 172 CB VAL A 12 3.291 -1.439 1.354 1.00 0.00 C ATOM 173 CG1 VAL A 12 4.488 -2.379 1.501 1.00 0.00 C ATOM 174 CG2 VAL A 12 2.818 -1.456 -0.104 1.00 0.00 C ATOM 0 H VAL A 12 1.506 0.139 1.974 1.00 0.00 H new ATOM 0 HA VAL A 12 1.604 -2.718 1.821 1.00 0.00 H new ATOM 0 HB VAL A 12 3.598 -0.434 1.642 1.00 0.00 H new ATOM 0 HG11 VAL A 12 5.293 -2.049 0.845 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.835 -2.368 2.534 1.00 0.00 H new ATOM 0 HG13 VAL A 12 4.191 -3.392 1.229 1.00 0.00 H new ATOM 0 HG21 VAL A 12 3.635 -1.146 -0.755 1.00 0.00 H new ATOM 0 HG22 VAL A 12 2.502 -2.464 -0.372 1.00 0.00 H new ATOM 0 HG23 VAL A 12 1.980 -0.770 -0.223 1.00 0.00 H new ATOM 184 N LYS A 13 3.139 -1.423 4.460 1.00 0.00 N ATOM 185 CA LYS A 13 3.685 -1.819 5.800 1.00 0.00 C ATOM 186 C LYS A 13 2.609 -2.546 6.616 1.00 0.00 C ATOM 187 O LYS A 13 2.877 -3.528 7.283 1.00 0.00 O ATOM 188 CB LYS A 13 4.154 -0.563 6.554 1.00 0.00 C ATOM 189 CG LYS A 13 4.416 -0.890 8.046 1.00 0.00 C ATOM 190 CD LYS A 13 5.589 -0.054 8.577 1.00 0.00 C ATOM 191 CE LYS A 13 5.239 1.431 8.496 1.00 0.00 C ATOM 192 NZ LYS A 13 6.317 2.233 9.143 1.00 0.00 N ATOM 0 H LYS A 13 3.167 -0.423 4.260 1.00 0.00 H new ATOM 0 HA LYS A 13 4.530 -2.493 5.657 1.00 0.00 H new ATOM 0 HB2 LYS A 13 5.064 -0.175 6.096 1.00 0.00 H new ATOM 0 HB3 LYS A 13 3.399 0.219 6.474 1.00 0.00 H new ATOM 0 HG2 LYS A 13 3.520 -0.686 8.633 1.00 0.00 H new ATOM 0 HG3 LYS A 13 4.636 -1.951 8.159 1.00 0.00 H new ATOM 0 HD2 LYS A 13 5.808 -0.330 9.608 1.00 0.00 H new ATOM 0 HD3 LYS A 13 6.487 -0.258 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.123 1.732 7.455 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.286 1.618 8.990 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.078 3.244 9.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 6.407 1.953 10.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.218 2.063 8.653 1.00 0.00 H new ATOM 206 N GLU A 14 1.403 -2.061 6.588 1.00 0.00 N ATOM 207 CA GLU A 14 0.325 -2.711 7.385 1.00 0.00 C ATOM 208 C GLU A 14 -0.052 -4.049 6.763 1.00 0.00 C ATOM 209 O GLU A 14 -0.328 -5.003 7.461 1.00 0.00 O ATOM 210 CB GLU A 14 -0.915 -1.812 7.411 1.00 0.00 C ATOM 211 CG GLU A 14 -0.687 -0.601 8.331 1.00 0.00 C ATOM 212 CD GLU A 14 -2.038 -0.045 8.787 1.00 0.00 C ATOM 213 OE1 GLU A 14 -2.970 -0.088 8.001 1.00 0.00 O ATOM 214 OE2 GLU A 14 -2.120 0.402 9.917 1.00 0.00 O ATOM 0 H GLU A 14 1.115 -1.244 6.050 1.00 0.00 H new ATOM 0 HA GLU A 14 0.690 -2.869 8.400 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -1.144 -1.470 6.402 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.777 -2.382 7.758 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -0.092 -0.895 9.196 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.124 0.169 7.803 1.00 0.00 H new ATOM 221 N VAL A 15 -0.084 -4.140 5.469 1.00 0.00 N ATOM 222 CA VAL A 15 -0.470 -5.431 4.853 1.00 0.00 C ATOM 223 C VAL A 15 0.585 -6.498 5.159 1.00 0.00 C ATOM 224 O VAL A 15 0.250 -7.631 5.420 1.00 0.00 O ATOM 225 CB VAL A 15 -0.648 -5.249 3.334 1.00 0.00 C ATOM 226 CG1 VAL A 15 -0.639 -6.613 2.628 1.00 0.00 C ATOM 227 CG2 VAL A 15 -1.988 -4.556 3.064 1.00 0.00 C ATOM 0 H VAL A 15 0.137 -3.387 4.818 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.418 -5.764 5.275 1.00 0.00 H new ATOM 0 HB VAL A 15 0.174 -4.644 2.951 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -0.766 -6.468 1.555 1.00 0.00 H new ATOM 0 HG12 VAL A 15 0.310 -7.114 2.817 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.455 -7.226 3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -2.120 -4.424 1.990 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.800 -5.168 3.457 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.999 -3.582 3.553 1.00 0.00 H new ATOM 237 N THR A 16 1.853 -6.190 5.105 1.00 0.00 N ATOM 238 CA THR A 16 2.832 -7.281 5.370 1.00 0.00 C ATOM 239 C THR A 16 2.707 -7.778 6.806 1.00 0.00 C ATOM 240 O THR A 16 2.804 -8.964 7.055 1.00 0.00 O ATOM 241 CB THR A 16 4.283 -6.869 5.112 1.00 0.00 C ATOM 242 OG1 THR A 16 4.857 -6.373 6.315 1.00 0.00 O ATOM 243 CG2 THR A 16 4.382 -5.799 4.023 1.00 0.00 C ATOM 0 H THR A 16 2.242 -5.270 4.898 1.00 0.00 H new ATOM 0 HA THR A 16 2.586 -8.078 4.668 1.00 0.00 H new ATOM 0 HB THR A 16 4.826 -7.750 4.770 1.00 0.00 H new ATOM 0 HG1 THR A 16 5.787 -6.111 6.150 1.00 0.00 H new ATOM 0 HG21 THR A 16 5.428 -5.533 3.869 1.00 0.00 H new ATOM 0 HG22 THR A 16 3.965 -6.186 3.093 1.00 0.00 H new ATOM 0 HG23 THR A 16 3.824 -4.915 4.330 1.00 0.00 H new ATOM 251 N LYS A 17 2.486 -6.918 7.762 1.00 0.00 N ATOM 252 CA LYS A 17 2.359 -7.445 9.146 1.00 0.00 C ATOM 253 C LYS A 17 1.136 -8.358 9.160 1.00 0.00 C ATOM 254 O LYS A 17 1.075 -9.346 9.864 1.00 0.00 O ATOM 255 CB LYS A 17 2.173 -6.305 10.161 1.00 0.00 C ATOM 256 CG LYS A 17 1.598 -6.879 11.467 1.00 0.00 C ATOM 257 CD LYS A 17 1.848 -5.926 12.632 1.00 0.00 C ATOM 258 CE LYS A 17 1.310 -6.569 13.915 1.00 0.00 C ATOM 259 NZ LYS A 17 1.832 -5.831 15.098 1.00 0.00 N ATOM 0 H LYS A 17 2.391 -5.909 7.651 1.00 0.00 H new ATOM 0 HA LYS A 17 3.264 -7.983 9.429 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.127 -5.815 10.354 1.00 0.00 H new ATOM 0 HB3 LYS A 17 1.502 -5.548 9.756 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.527 -7.050 11.354 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.055 -7.846 11.677 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.914 -5.720 12.730 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.354 -4.971 12.452 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.220 -6.551 13.914 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.611 -7.615 13.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.467 -6.268 15.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.871 -5.870 15.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.523 -4.839 15.052 1.00 0.00 H new ATOM 273 N LEU A 18 0.163 -8.014 8.365 1.00 0.00 N ATOM 274 CA LEU A 18 -1.075 -8.823 8.286 1.00 0.00 C ATOM 275 C LEU A 18 -0.732 -10.131 7.566 1.00 0.00 C ATOM 276 O LEU A 18 -1.208 -11.192 7.916 1.00 0.00 O ATOM 277 CB LEU A 18 -2.150 -8.032 7.511 1.00 0.00 C ATOM 278 CG LEU A 18 -2.716 -6.785 8.294 1.00 0.00 C ATOM 279 CD1 LEU A 18 -4.239 -6.877 8.404 1.00 0.00 C ATOM 280 CD2 LEU A 18 -2.162 -6.642 9.727 1.00 0.00 C ATOM 0 H LEU A 18 0.177 -7.194 7.759 1.00 0.00 H new ATOM 0 HA LEU A 18 -1.467 -9.044 9.279 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -1.726 -7.693 6.566 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -2.975 -8.702 7.269 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.398 -5.917 7.717 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -4.618 -6.011 8.946 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.675 -6.899 7.405 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -4.511 -7.787 8.939 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -2.598 -5.762 10.200 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.418 -7.529 10.306 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.078 -6.534 9.689 1.00 0.00 H new ATOM 292 N ILE A 19 0.127 -10.060 6.584 1.00 0.00 N ATOM 293 CA ILE A 19 0.550 -11.291 5.862 1.00 0.00 C ATOM 294 C ILE A 19 1.424 -12.093 6.819 1.00 0.00 C ATOM 295 O ILE A 19 1.445 -13.307 6.805 1.00 0.00 O ATOM 296 CB ILE A 19 1.359 -10.906 4.609 1.00 0.00 C ATOM 297 CG1 ILE A 19 0.420 -10.250 3.584 1.00 0.00 C ATOM 298 CG2 ILE A 19 2.003 -12.151 3.991 1.00 0.00 C ATOM 299 CD1 ILE A 19 1.220 -9.761 2.372 1.00 0.00 C ATOM 0 H ILE A 19 0.555 -9.196 6.251 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.314 -11.875 5.544 1.00 0.00 H new ATOM 0 HB ILE A 19 2.146 -10.207 4.891 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.338 -10.965 3.264 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.105 -9.413 4.044 1.00 0.00 H new ATOM 0 HG21 ILE A 19 2.572 -11.865 3.106 1.00 0.00 H new ATOM 0 HG22 ILE A 19 2.671 -12.614 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 19 1.225 -12.861 3.709 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.544 -9.298 1.653 1.00 0.00 H new ATOM 0 HD12 ILE A 19 1.961 -9.030 2.696 1.00 0.00 H new ATOM 0 HD13 ILE A 19 1.725 -10.606 1.904 1.00 0.00 H new ATOM 311 N ASP A 20 2.150 -11.401 7.652 1.00 0.00 N ATOM 312 CA ASP A 20 3.043 -12.080 8.622 1.00 0.00 C ATOM 313 C ASP A 20 2.228 -12.660 9.781 1.00 0.00 C ATOM 314 O ASP A 20 2.670 -13.582 10.441 1.00 0.00 O ATOM 315 CB ASP A 20 4.052 -11.070 9.172 1.00 0.00 C ATOM 316 CG ASP A 20 5.110 -11.803 9.998 1.00 0.00 C ATOM 317 OD1 ASP A 20 5.530 -12.868 9.577 1.00 0.00 O ATOM 318 OD2 ASP A 20 5.484 -11.286 11.038 1.00 0.00 O ATOM 0 H ASP A 20 2.160 -10.382 7.700 1.00 0.00 H new ATOM 0 HA ASP A 20 3.564 -12.891 8.114 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.526 -10.530 8.352 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.542 -10.330 9.789 1.00 0.00 H new ATOM 323 N ASN A 21 1.048 -12.137 10.057 1.00 0.00 N ATOM 324 CA ASN A 21 0.248 -12.690 11.202 1.00 0.00 C ATOM 325 C ASN A 21 -0.620 -13.858 10.709 1.00 0.00 C ATOM 326 O ASN A 21 -1.290 -14.500 11.490 1.00 0.00 O ATOM 327 CB ASN A 21 -0.604 -11.598 11.854 1.00 0.00 C ATOM 328 CG ASN A 21 -1.292 -12.163 13.100 1.00 0.00 C ATOM 329 OD1 ASN A 21 -2.358 -12.903 12.962 1.00 0.00 O flip ATOM 330 ND2 ASN A 21 -0.856 -11.927 14.209 1.00 0.00 N flip ATOM 0 H ASN A 21 0.614 -11.367 9.549 1.00 0.00 H new ATOM 0 HA ASN A 21 0.932 -13.063 11.965 1.00 0.00 H new ATOM 0 HB2 ASN A 21 0.021 -10.747 12.125 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.350 -11.233 11.148 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -0.023 -11.349 14.317 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -1.323 -12.307 15.032 1.00 0.00 H new ATOM 337 N ASN A 22 -0.552 -14.177 9.434 1.00 0.00 N ATOM 338 CA ASN A 22 -1.302 -15.365 8.882 1.00 0.00 C ATOM 339 C ASN A 22 -2.780 -15.069 8.573 1.00 0.00 C ATOM 340 O ASN A 22 -3.631 -15.899 8.820 1.00 0.00 O ATOM 341 CB ASN A 22 -1.230 -16.533 9.893 1.00 0.00 C ATOM 342 CG ASN A 22 -1.289 -17.877 9.154 1.00 0.00 C ATOM 343 OD1 ASN A 22 -1.996 -18.014 8.176 1.00 0.00 O ATOM 344 ND2 ASN A 22 -0.572 -18.877 9.587 1.00 0.00 N ATOM 0 H ASN A 22 -0.005 -13.663 8.744 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.821 -15.623 7.938 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -0.308 -16.467 10.471 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.056 -16.462 10.601 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -0.605 -19.775 9.104 1.00 0.00 H new ATOM 0 HD22 ASN A 22 0.021 -18.761 10.408 1.00 0.00 H new ATOM 351 N LYS A 23 -3.108 -13.928 8.026 1.00 0.00 N ATOM 352 CA LYS A 23 -4.549 -13.649 7.703 1.00 0.00 C ATOM 353 C LYS A 23 -4.799 -14.002 6.227 1.00 0.00 C ATOM 354 O LYS A 23 -3.912 -13.927 5.400 1.00 0.00 O ATOM 355 CB LYS A 23 -4.854 -12.172 7.958 1.00 0.00 C ATOM 356 CG LYS A 23 -4.184 -11.693 9.285 1.00 0.00 C ATOM 357 CD LYS A 23 -5.191 -10.967 10.201 1.00 0.00 C ATOM 358 CE LYS A 23 -4.556 -10.722 11.572 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.591 -10.207 12.512 1.00 0.00 N ATOM 0 H LYS A 23 -2.454 -13.182 7.789 1.00 0.00 H new ATOM 0 HA LYS A 23 -5.202 -14.251 8.335 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -4.492 -11.571 7.124 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.932 -12.022 8.014 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.765 -12.550 9.812 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.355 -11.025 9.054 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -5.488 -10.019 9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -6.096 -11.565 10.310 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -4.127 -11.647 11.957 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -3.740 -10.005 11.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -5.161 -10.040 13.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.980 -9.315 12.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.355 -10.906 12.604 1.00 0.00 H new ATOM 373 N THR A 24 -6.008 -14.390 5.898 1.00 0.00 N ATOM 374 CA THR A 24 -6.336 -14.754 4.485 1.00 0.00 C ATOM 375 C THR A 24 -6.567 -13.499 3.635 1.00 0.00 C ATOM 376 O THR A 24 -6.776 -12.418 4.147 1.00 0.00 O ATOM 377 CB THR A 24 -7.615 -15.604 4.449 1.00 0.00 C ATOM 378 OG1 THR A 24 -8.746 -14.751 4.332 1.00 0.00 O ATOM 379 CG2 THR A 24 -7.735 -16.425 5.729 1.00 0.00 C ATOM 0 H THR A 24 -6.786 -14.470 6.553 1.00 0.00 H new ATOM 0 HA THR A 24 -5.494 -15.315 4.080 1.00 0.00 H new ATOM 0 HB THR A 24 -7.569 -16.278 3.594 1.00 0.00 H new ATOM 0 HG1 THR A 24 -9.565 -15.273 4.467 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.645 -17.024 5.693 1.00 0.00 H new ATOM 0 HG22 THR A 24 -6.871 -17.083 5.822 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.775 -15.756 6.588 1.00 0.00 H new ATOM 387 N GLU A 25 -6.559 -13.652 2.339 1.00 0.00 N ATOM 388 CA GLU A 25 -6.809 -12.484 1.444 1.00 0.00 C ATOM 389 C GLU A 25 -8.170 -11.882 1.821 1.00 0.00 C ATOM 390 O GLU A 25 -8.323 -10.681 1.931 1.00 0.00 O ATOM 391 CB GLU A 25 -6.816 -12.954 -0.015 1.00 0.00 C ATOM 392 CG GLU A 25 -6.668 -11.753 -0.954 1.00 0.00 C ATOM 393 CD GLU A 25 -7.115 -12.143 -2.366 1.00 0.00 C ATOM 394 OE1 GLU A 25 -6.772 -13.234 -2.794 1.00 0.00 O ATOM 395 OE2 GLU A 25 -7.791 -11.345 -2.994 1.00 0.00 O ATOM 0 H GLU A 25 -6.390 -14.536 1.860 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.028 -11.732 1.559 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -6.002 -13.659 -0.182 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -7.745 -13.482 -0.231 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -7.267 -10.919 -0.590 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -5.631 -11.417 -0.970 1.00 0.00 H new ATOM 402 N LYS A 26 -9.159 -12.716 2.012 1.00 0.00 N ATOM 403 CA LYS A 26 -10.522 -12.218 2.376 1.00 0.00 C ATOM 404 C LYS A 26 -10.457 -11.340 3.636 1.00 0.00 C ATOM 405 O LYS A 26 -11.225 -10.411 3.788 1.00 0.00 O ATOM 406 CB LYS A 26 -11.458 -13.425 2.619 1.00 0.00 C ATOM 407 CG LYS A 26 -12.226 -13.773 1.335 1.00 0.00 C ATOM 408 CD LYS A 26 -13.206 -14.911 1.621 1.00 0.00 C ATOM 409 CE LYS A 26 -13.975 -15.254 0.343 1.00 0.00 C ATOM 410 NZ LYS A 26 -13.014 -15.451 -0.778 1.00 0.00 N ATOM 0 H LYS A 26 -9.081 -13.730 1.931 1.00 0.00 H new ATOM 0 HA LYS A 26 -10.911 -11.613 1.557 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -10.875 -14.286 2.946 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -12.161 -13.193 3.419 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -12.764 -12.898 0.972 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -11.529 -14.067 0.550 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -12.667 -15.788 1.981 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -13.900 -14.618 2.409 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.565 -16.158 0.493 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -14.674 -14.453 0.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -13.471 -15.999 -1.535 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -12.720 -14.525 -1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.179 -15.966 -0.433 1.00 0.00 H new ATOM 424 N GLU A 27 -9.568 -11.625 4.542 1.00 0.00 N ATOM 425 CA GLU A 27 -9.493 -10.800 5.783 1.00 0.00 C ATOM 426 C GLU A 27 -8.811 -9.455 5.494 1.00 0.00 C ATOM 427 O GLU A 27 -9.170 -8.442 6.061 1.00 0.00 O ATOM 428 CB GLU A 27 -8.696 -11.545 6.852 1.00 0.00 C ATOM 429 CG GLU A 27 -9.510 -12.716 7.398 1.00 0.00 C ATOM 430 CD GLU A 27 -8.661 -13.508 8.395 1.00 0.00 C ATOM 431 OE1 GLU A 27 -7.853 -12.895 9.074 1.00 0.00 O ATOM 432 OE2 GLU A 27 -8.837 -14.713 8.466 1.00 0.00 O ATOM 0 H GLU A 27 -8.893 -12.387 4.481 1.00 0.00 H new ATOM 0 HA GLU A 27 -10.507 -10.618 6.138 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -7.760 -11.909 6.430 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -8.436 -10.864 7.663 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -10.413 -12.349 7.885 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -9.829 -13.363 6.581 1.00 0.00 H new ATOM 439 N ILE A 28 -7.830 -9.426 4.635 1.00 0.00 N ATOM 440 CA ILE A 28 -7.139 -8.135 4.343 1.00 0.00 C ATOM 441 C ILE A 28 -8.127 -7.186 3.671 1.00 0.00 C ATOM 442 O ILE A 28 -8.154 -6.005 3.955 1.00 0.00 O ATOM 443 CB ILE A 28 -5.927 -8.430 3.441 1.00 0.00 C ATOM 444 CG1 ILE A 28 -5.212 -9.694 4.008 1.00 0.00 C ATOM 445 CG2 ILE A 28 -4.994 -7.210 3.392 1.00 0.00 C ATOM 446 CD1 ILE A 28 -3.679 -9.615 3.936 1.00 0.00 C ATOM 0 H ILE A 28 -7.477 -10.235 4.124 1.00 0.00 H new ATOM 0 HA ILE A 28 -6.784 -7.658 5.256 1.00 0.00 H new ATOM 0 HB ILE A 28 -6.238 -8.625 2.415 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -5.512 -9.837 5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.549 -10.571 3.455 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -4.140 -7.430 2.751 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -5.536 -6.353 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.643 -6.980 4.398 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -3.248 -10.528 4.347 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -3.369 -9.503 2.897 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -3.331 -8.758 4.512 1.00 0.00 H new ATOM 458 N LEU A 29 -8.947 -7.687 2.798 1.00 0.00 N ATOM 459 CA LEU A 29 -9.940 -6.810 2.127 1.00 0.00 C ATOM 460 C LEU A 29 -11.050 -6.440 3.121 1.00 0.00 C ATOM 461 O LEU A 29 -11.638 -5.384 3.050 1.00 0.00 O ATOM 462 CB LEU A 29 -10.530 -7.560 0.932 1.00 0.00 C ATOM 463 CG LEU A 29 -9.388 -8.089 0.051 1.00 0.00 C ATOM 464 CD1 LEU A 29 -9.976 -8.930 -1.087 1.00 0.00 C ATOM 465 CD2 LEU A 29 -8.599 -6.909 -0.540 1.00 0.00 C ATOM 0 H LEU A 29 -8.974 -8.668 2.519 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.460 -5.895 1.781 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.151 -8.386 1.277 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -11.174 -6.897 0.354 1.00 0.00 H new ATOM 0 HG LEU A 29 -8.719 -8.703 0.654 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.169 -9.308 -1.715 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.533 -9.768 -0.669 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.645 -8.313 -1.687 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.790 -7.288 -1.164 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -9.265 -6.292 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -8.182 -6.309 0.269 1.00 0.00 H new ATOM 477 N ASP A 30 -11.324 -7.305 4.060 1.00 0.00 N ATOM 478 CA ASP A 30 -12.372 -6.995 5.077 1.00 0.00 C ATOM 479 C ASP A 30 -11.867 -5.852 5.968 1.00 0.00 C ATOM 480 O ASP A 30 -12.594 -4.932 6.285 1.00 0.00 O ATOM 481 CB ASP A 30 -12.645 -8.237 5.929 1.00 0.00 C ATOM 482 CG ASP A 30 -13.840 -7.973 6.848 1.00 0.00 C ATOM 483 OD1 ASP A 30 -14.886 -7.607 6.336 1.00 0.00 O ATOM 484 OD2 ASP A 30 -13.690 -8.141 8.046 1.00 0.00 O ATOM 0 H ASP A 30 -10.869 -8.211 4.168 1.00 0.00 H new ATOM 0 HA ASP A 30 -13.297 -6.698 4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -12.849 -9.094 5.287 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.765 -8.485 6.522 1.00 0.00 H new ATOM 489 N ALA A 31 -10.634 -5.917 6.394 1.00 0.00 N ATOM 490 CA ALA A 31 -10.084 -4.853 7.287 1.00 0.00 C ATOM 491 C ALA A 31 -9.964 -3.519 6.528 1.00 0.00 C ATOM 492 O ALA A 31 -9.996 -2.463 7.129 1.00 0.00 O ATOM 493 CB ALA A 31 -8.709 -5.301 7.793 1.00 0.00 C ATOM 0 H ALA A 31 -9.980 -6.664 6.161 1.00 0.00 H new ATOM 0 HA ALA A 31 -10.757 -4.700 8.130 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.294 -4.534 8.447 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.812 -6.234 8.348 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -8.042 -5.455 6.945 1.00 0.00 H new ATOM 499 N PHE A 32 -9.861 -3.539 5.229 1.00 0.00 N ATOM 500 CA PHE A 32 -9.780 -2.253 4.462 1.00 0.00 C ATOM 501 C PHE A 32 -10.968 -1.365 4.836 1.00 0.00 C ATOM 502 O PHE A 32 -10.995 -0.188 4.534 1.00 0.00 O ATOM 503 CB PHE A 32 -9.835 -2.595 2.966 1.00 0.00 C ATOM 504 CG PHE A 32 -8.473 -3.052 2.445 1.00 0.00 C ATOM 505 CD1 PHE A 32 -7.422 -3.435 3.315 1.00 0.00 C ATOM 506 CD2 PHE A 32 -8.255 -3.065 1.061 1.00 0.00 C ATOM 507 CE1 PHE A 32 -6.185 -3.818 2.789 1.00 0.00 C ATOM 508 CE2 PHE A 32 -7.015 -3.457 0.543 1.00 0.00 C ATOM 509 CZ PHE A 32 -5.981 -3.829 1.408 1.00 0.00 C ATOM 0 H PHE A 32 -9.829 -4.386 4.661 1.00 0.00 H new ATOM 0 HA PHE A 32 -8.857 -1.721 4.694 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -10.572 -3.380 2.798 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.166 -1.722 2.404 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.577 -3.431 4.384 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -9.048 -2.771 0.390 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -5.384 -4.107 3.453 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -6.857 -3.472 -0.525 1.00 0.00 H new ATOM 0 HZ PHE A 32 -5.023 -4.125 1.007 1.00 0.00 H new ATOM 519 N ASP A 33 -11.962 -1.922 5.465 1.00 0.00 N ATOM 520 CA ASP A 33 -13.159 -1.113 5.828 1.00 0.00 C ATOM 521 C ASP A 33 -12.891 -0.287 7.089 1.00 0.00 C ATOM 522 O ASP A 33 -13.579 0.680 7.352 1.00 0.00 O ATOM 523 CB ASP A 33 -14.341 -2.051 6.079 1.00 0.00 C ATOM 524 CG ASP A 33 -14.635 -2.847 4.806 1.00 0.00 C ATOM 525 OD1 ASP A 33 -14.951 -2.228 3.803 1.00 0.00 O ATOM 526 OD2 ASP A 33 -14.538 -4.062 4.855 1.00 0.00 O ATOM 0 H ASP A 33 -11.999 -2.902 5.744 1.00 0.00 H new ATOM 0 HA ASP A 33 -13.386 -0.433 5.007 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -14.113 -2.729 6.901 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -15.219 -1.477 6.373 1.00 0.00 H new ATOM 531 N LYS A 34 -11.896 -0.646 7.867 1.00 0.00 N ATOM 532 CA LYS A 34 -11.581 0.135 9.109 1.00 0.00 C ATOM 533 C LYS A 34 -10.079 0.438 9.160 1.00 0.00 C ATOM 534 O LYS A 34 -9.566 0.877 10.169 1.00 0.00 O ATOM 535 CB LYS A 34 -11.989 -0.665 10.352 1.00 0.00 C ATOM 536 CG LYS A 34 -11.466 -2.098 10.249 1.00 0.00 C ATOM 537 CD LYS A 34 -11.678 -2.821 11.584 1.00 0.00 C ATOM 538 CE LYS A 34 -13.175 -3.014 11.846 1.00 0.00 C ATOM 539 NZ LYS A 34 -13.364 -4.085 12.865 1.00 0.00 N ATOM 0 H LYS A 34 -11.288 -1.447 7.696 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.139 1.071 9.091 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -11.591 -0.188 11.248 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -13.075 -0.672 10.450 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.985 -2.628 9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -10.407 -2.091 9.992 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -11.176 -3.788 11.566 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.230 -2.245 12.394 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -13.618 -2.081 12.196 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.686 -3.282 10.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -14.380 -4.218 13.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -12.955 -4.974 12.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -12.889 -3.811 13.749 1.00 0.00 H new ATOM 553 N MET A 35 -9.364 0.214 8.084 1.00 0.00 N ATOM 554 CA MET A 35 -7.897 0.502 8.099 1.00 0.00 C ATOM 555 C MET A 35 -7.692 2.007 7.883 1.00 0.00 C ATOM 556 O MET A 35 -6.868 2.612 8.541 1.00 0.00 O ATOM 557 CB MET A 35 -7.193 -0.312 6.984 1.00 0.00 C ATOM 558 CG MET A 35 -5.866 -0.930 7.475 1.00 0.00 C ATOM 559 SD MET A 35 -6.152 -2.626 8.056 1.00 0.00 S ATOM 560 CE MET A 35 -5.431 -3.507 6.641 1.00 0.00 C ATOM 0 H MET A 35 -9.729 -0.152 7.205 1.00 0.00 H new ATOM 0 HA MET A 35 -7.464 0.213 9.057 1.00 0.00 H new ATOM 0 HB2 MET A 35 -7.857 -1.104 6.638 1.00 0.00 H new ATOM 0 HB3 MET A 35 -6.998 0.336 6.129 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.135 -0.932 6.667 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.449 -0.326 8.281 1.00 0.00 H new ATOM 0 HE1 MET A 35 -5.724 -4.556 6.678 1.00 0.00 H new ATOM 0 HE2 MET A 35 -5.792 -3.062 5.713 1.00 0.00 H new ATOM 0 HE3 MET A 35 -4.344 -3.432 6.681 1.00 0.00 H new ATOM 570 N CYS A 36 -8.416 2.639 6.991 1.00 0.00 N ATOM 571 CA CYS A 36 -8.189 4.096 6.825 1.00 0.00 C ATOM 572 C CYS A 36 -8.610 4.761 8.133 1.00 0.00 C ATOM 573 O CYS A 36 -8.487 5.957 8.306 1.00 0.00 O ATOM 574 CB CYS A 36 -9.003 4.658 5.654 1.00 0.00 C ATOM 575 SG CYS A 36 -8.175 6.126 5.004 1.00 0.00 S ATOM 0 H CYS A 36 -9.129 2.222 6.393 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.140 4.292 6.601 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -9.103 3.906 4.871 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -10.011 4.911 5.984 1.00 0.00 H new ATOM 580 N SER A 37 -9.119 3.986 9.051 1.00 0.00 N ATOM 581 CA SER A 37 -9.568 4.572 10.351 1.00 0.00 C ATOM 582 C SER A 37 -8.377 4.748 11.302 1.00 0.00 C ATOM 583 O SER A 37 -8.564 4.967 12.483 1.00 0.00 O ATOM 584 CB SER A 37 -10.598 3.646 11.000 1.00 0.00 C ATOM 585 OG SER A 37 -11.292 4.355 12.018 1.00 0.00 O ATOM 0 H SER A 37 -9.244 2.978 8.961 1.00 0.00 H new ATOM 0 HA SER A 37 -10.014 5.548 10.158 1.00 0.00 H new ATOM 0 HB2 SER A 37 -11.301 3.283 10.250 1.00 0.00 H new ATOM 0 HB3 SER A 37 -10.103 2.772 11.423 1.00 0.00 H new ATOM 0 HG SER A 37 -10.648 4.839 12.576 1.00 0.00 H new ATOM 591 N LYS A 38 -7.160 4.661 10.813 1.00 0.00 N ATOM 592 CA LYS A 38 -5.964 4.834 11.711 1.00 0.00 C ATOM 593 C LYS A 38 -5.116 6.024 11.234 1.00 0.00 C ATOM 594 O LYS A 38 -4.120 6.363 11.841 1.00 0.00 O ATOM 595 CB LYS A 38 -5.126 3.544 11.707 1.00 0.00 C ATOM 596 CG LYS A 38 -5.731 2.536 12.699 1.00 0.00 C ATOM 597 CD LYS A 38 -5.215 1.127 12.393 1.00 0.00 C ATOM 598 CE LYS A 38 -3.686 1.127 12.380 1.00 0.00 C ATOM 599 NZ LYS A 38 -3.179 1.831 13.593 1.00 0.00 N ATOM 0 H LYS A 38 -6.941 4.478 9.834 1.00 0.00 H new ATOM 0 HA LYS A 38 -6.302 5.034 12.728 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -5.103 3.115 10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -4.095 3.767 11.982 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -5.468 2.815 13.719 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.819 2.556 12.633 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.581 0.425 13.142 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.596 0.792 11.428 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -3.312 0.103 12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -3.319 1.620 11.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.277 1.407 13.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.033 2.837 13.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.873 1.741 14.362 1.00 0.00 H new ATOM 613 N LEU A 39 -5.510 6.668 10.162 1.00 0.00 N ATOM 614 CA LEU A 39 -4.738 7.851 9.648 1.00 0.00 C ATOM 615 C LEU A 39 -5.532 9.131 9.979 1.00 0.00 C ATOM 616 O LEU A 39 -6.745 9.110 9.899 1.00 0.00 O ATOM 617 CB LEU A 39 -4.606 7.743 8.122 1.00 0.00 C ATOM 618 CG LEU A 39 -3.895 6.442 7.730 1.00 0.00 C ATOM 619 CD1 LEU A 39 -3.913 6.301 6.208 1.00 0.00 C ATOM 620 CD2 LEU A 39 -2.436 6.467 8.214 1.00 0.00 C ATOM 0 H LEU A 39 -6.337 6.426 9.616 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.750 7.880 10.107 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -5.594 7.776 7.663 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.048 8.598 7.739 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.411 5.601 8.193 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -3.409 5.378 5.922 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.945 6.275 5.857 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.398 7.150 5.758 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.942 5.538 7.929 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.916 7.309 7.757 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.414 6.572 9.299 1.00 0.00 H new ATOM 632 N PRO A 40 -4.865 10.219 10.332 1.00 0.00 N ATOM 633 CA PRO A 40 -5.580 11.465 10.643 1.00 0.00 C ATOM 634 C PRO A 40 -6.664 11.741 9.581 1.00 0.00 C ATOM 635 O PRO A 40 -6.597 11.215 8.487 1.00 0.00 O ATOM 636 CB PRO A 40 -4.481 12.555 10.688 1.00 0.00 C ATOM 637 CG PRO A 40 -3.108 11.821 10.660 1.00 0.00 C ATOM 638 CD PRO A 40 -3.391 10.316 10.455 1.00 0.00 C ATOM 0 HA PRO A 40 -6.117 11.427 11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -4.574 13.231 9.838 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.576 13.161 11.589 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.483 12.207 9.855 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -2.566 11.986 11.591 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -2.894 9.939 9.561 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -3.025 9.727 11.296 1.00 0.00 H new ATOM 646 N LYS A 41 -7.661 12.528 9.873 1.00 0.00 N ATOM 647 CA LYS A 41 -8.721 12.776 8.850 1.00 0.00 C ATOM 648 C LYS A 41 -8.152 13.495 7.624 1.00 0.00 C ATOM 649 O LYS A 41 -8.791 13.578 6.595 1.00 0.00 O ATOM 650 CB LYS A 41 -9.838 13.622 9.453 1.00 0.00 C ATOM 651 CG LYS A 41 -11.083 13.544 8.562 1.00 0.00 C ATOM 652 CD LYS A 41 -12.237 14.300 9.224 1.00 0.00 C ATOM 653 CE LYS A 41 -13.514 14.103 8.403 1.00 0.00 C ATOM 654 NZ LYS A 41 -13.206 14.274 6.955 1.00 0.00 N ATOM 0 H LYS A 41 -7.790 13.007 10.764 1.00 0.00 H new ATOM 0 HA LYS A 41 -9.114 11.809 8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -10.074 13.268 10.456 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -9.512 14.658 9.549 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -10.869 13.972 7.583 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.362 12.503 8.401 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -12.387 13.938 10.241 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -11.998 15.361 9.295 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.925 13.110 8.583 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.272 14.823 8.712 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -14.083 14.478 6.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -12.539 15.063 6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.780 13.400 6.585 1.00 0.00 H new ATOM 668 N SER A 42 -6.995 14.082 7.739 1.00 0.00 N ATOM 669 CA SER A 42 -6.457 14.865 6.591 1.00 0.00 C ATOM 670 C SER A 42 -6.015 13.989 5.415 1.00 0.00 C ATOM 671 O SER A 42 -5.831 14.470 4.314 1.00 0.00 O ATOM 672 CB SER A 42 -5.308 15.761 7.048 1.00 0.00 C ATOM 673 OG SER A 42 -4.644 16.292 5.908 1.00 0.00 O ATOM 0 H SER A 42 -6.403 14.055 8.569 1.00 0.00 H new ATOM 0 HA SER A 42 -7.278 15.482 6.226 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.688 16.570 7.671 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.608 15.191 7.658 1.00 0.00 H new ATOM 0 HG SER A 42 -3.907 16.869 6.198 1.00 0.00 H new ATOM 679 N LEU A 43 -5.861 12.703 5.635 1.00 0.00 N ATOM 680 CA LEU A 43 -5.449 11.778 4.521 1.00 0.00 C ATOM 681 C LEU A 43 -6.587 10.794 4.236 1.00 0.00 C ATOM 682 O LEU A 43 -6.469 9.951 3.368 1.00 0.00 O ATOM 683 CB LEU A 43 -4.200 10.969 4.911 1.00 0.00 C ATOM 684 CG LEU A 43 -3.137 11.868 5.537 1.00 0.00 C ATOM 685 CD1 LEU A 43 -1.876 11.050 5.827 1.00 0.00 C ATOM 686 CD2 LEU A 43 -2.786 13.018 4.586 1.00 0.00 C ATOM 0 H LEU A 43 -6.002 12.251 6.538 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.226 12.382 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.477 10.183 5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.791 10.477 4.028 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.531 12.280 6.466 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.119 11.695 6.274 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.117 10.242 6.517 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.492 10.631 4.897 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.027 13.651 5.045 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -2.402 12.612 3.650 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.679 13.610 4.385 1.00 0.00 H new ATOM 698 N SER A 44 -7.677 10.877 4.971 1.00 0.00 N ATOM 699 CA SER A 44 -8.827 9.931 4.759 1.00 0.00 C ATOM 700 C SER A 44 -8.981 9.615 3.272 1.00 0.00 C ATOM 701 O SER A 44 -8.804 8.507 2.814 1.00 0.00 O ATOM 702 CB SER A 44 -10.114 10.570 5.280 1.00 0.00 C ATOM 703 OG SER A 44 -10.091 10.580 6.702 1.00 0.00 O ATOM 0 H SER A 44 -7.820 11.563 5.712 1.00 0.00 H new ATOM 0 HA SER A 44 -8.631 9.005 5.300 1.00 0.00 H new ATOM 0 HB2 SER A 44 -10.209 11.587 4.899 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.981 10.014 4.923 1.00 0.00 H new ATOM 0 HG SER A 44 -10.973 10.841 7.042 1.00 0.00 H new ATOM 709 N GLU A 45 -9.462 10.601 2.570 1.00 0.00 N ATOM 710 CA GLU A 45 -9.845 10.486 1.138 1.00 0.00 C ATOM 711 C GLU A 45 -8.816 9.922 0.171 1.00 0.00 C ATOM 712 O GLU A 45 -9.079 8.996 -0.569 1.00 0.00 O ATOM 713 CB GLU A 45 -10.171 11.895 0.645 1.00 0.00 C ATOM 714 CG GLU A 45 -11.294 12.497 1.494 1.00 0.00 C ATOM 715 CD GLU A 45 -11.640 13.890 0.965 1.00 0.00 C ATOM 716 OE1 GLU A 45 -10.720 14.627 0.649 1.00 0.00 O ATOM 717 OE2 GLU A 45 -12.817 14.197 0.888 1.00 0.00 O ATOM 0 H GLU A 45 -9.612 11.533 2.956 1.00 0.00 H new ATOM 0 HA GLU A 45 -10.667 9.770 1.133 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -9.283 12.524 0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.472 11.863 -0.402 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -12.174 11.855 1.461 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.983 12.559 2.537 1.00 0.00 H new ATOM 724 N GLU A 46 -7.645 10.471 0.180 1.00 0.00 N ATOM 725 CA GLU A 46 -6.591 9.972 -0.727 1.00 0.00 C ATOM 726 C GLU A 46 -6.390 8.475 -0.493 1.00 0.00 C ATOM 727 O GLU A 46 -5.916 7.769 -1.354 1.00 0.00 O ATOM 728 CB GLU A 46 -5.284 10.734 -0.452 1.00 0.00 C ATOM 729 CG GLU A 46 -5.593 12.166 0.014 1.00 0.00 C ATOM 730 CD GLU A 46 -6.625 12.809 -0.916 1.00 0.00 C ATOM 731 OE1 GLU A 46 -6.567 12.543 -2.105 1.00 0.00 O ATOM 732 OE2 GLU A 46 -7.454 13.556 -0.423 1.00 0.00 O ATOM 0 H GLU A 46 -7.370 11.249 0.780 1.00 0.00 H new ATOM 0 HA GLU A 46 -6.885 10.132 -1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.704 10.213 0.310 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.673 10.761 -1.355 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -5.972 12.151 1.036 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.679 12.760 0.022 1.00 0.00 H new ATOM 739 N CYS A 47 -6.759 7.978 0.653 1.00 0.00 N ATOM 740 CA CYS A 47 -6.594 6.524 0.903 1.00 0.00 C ATOM 741 C CYS A 47 -7.748 5.792 0.219 1.00 0.00 C ATOM 742 O CYS A 47 -7.565 4.771 -0.412 1.00 0.00 O ATOM 743 CB CYS A 47 -6.603 6.268 2.424 1.00 0.00 C ATOM 744 SG CYS A 47 -8.277 5.878 3.006 1.00 0.00 S ATOM 0 H CYS A 47 -7.165 8.512 1.421 1.00 0.00 H new ATOM 0 HA CYS A 47 -5.648 6.161 0.501 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -5.930 5.444 2.662 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -6.228 7.148 2.947 1.00 0.00 H new ATOM 749 N GLN A 48 -8.935 6.310 0.342 1.00 0.00 N ATOM 750 CA GLN A 48 -10.096 5.641 -0.298 1.00 0.00 C ATOM 751 C GLN A 48 -9.795 5.417 -1.776 1.00 0.00 C ATOM 752 O GLN A 48 -10.061 4.366 -2.324 1.00 0.00 O ATOM 753 CB GLN A 48 -11.340 6.523 -0.166 1.00 0.00 C ATOM 754 CG GLN A 48 -11.804 6.541 1.289 1.00 0.00 C ATOM 755 CD GLN A 48 -12.994 7.492 1.434 1.00 0.00 C ATOM 756 OE1 GLN A 48 -13.448 8.069 0.465 1.00 0.00 O ATOM 757 NE2 GLN A 48 -13.522 7.680 2.612 1.00 0.00 N ATOM 0 H GLN A 48 -9.151 7.164 0.856 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.277 4.685 0.193 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.117 7.536 -0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.136 6.145 -0.807 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.087 5.537 1.604 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -10.989 6.860 1.938 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -13.141 7.196 3.425 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -14.316 8.311 2.720 1.00 0.00 H new ATOM 766 N GLU A 49 -9.258 6.409 -2.433 1.00 0.00 N ATOM 767 CA GLU A 49 -8.959 6.263 -3.881 1.00 0.00 C ATOM 768 C GLU A 49 -7.828 5.253 -4.091 1.00 0.00 C ATOM 769 O GLU A 49 -7.869 4.447 -4.999 1.00 0.00 O ATOM 770 CB GLU A 49 -8.554 7.626 -4.455 1.00 0.00 C ATOM 771 CG GLU A 49 -8.267 7.499 -5.959 1.00 0.00 C ATOM 772 CD GLU A 49 -6.852 6.954 -6.178 1.00 0.00 C ATOM 773 OE1 GLU A 49 -5.910 7.683 -5.917 1.00 0.00 O ATOM 774 OE2 GLU A 49 -6.736 5.815 -6.604 1.00 0.00 O ATOM 0 H GLU A 49 -9.014 7.313 -2.028 1.00 0.00 H new ATOM 0 HA GLU A 49 -9.849 5.900 -4.395 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -9.351 8.351 -4.288 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -7.670 7.999 -3.938 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -8.997 6.835 -6.422 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.370 8.471 -6.441 1.00 0.00 H new ATOM 781 N VAL A 50 -6.822 5.276 -3.252 1.00 0.00 N ATOM 782 CA VAL A 50 -5.711 4.300 -3.413 1.00 0.00 C ATOM 783 C VAL A 50 -6.223 2.907 -3.071 1.00 0.00 C ATOM 784 O VAL A 50 -6.063 1.971 -3.829 1.00 0.00 O ATOM 785 CB VAL A 50 -4.540 4.634 -2.477 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.398 3.639 -2.716 1.00 0.00 C ATOM 787 CG2 VAL A 50 -4.040 6.067 -2.745 1.00 0.00 C ATOM 0 H VAL A 50 -6.726 5.924 -2.470 1.00 0.00 H new ATOM 0 HA VAL A 50 -5.360 4.345 -4.444 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.878 4.564 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.566 3.874 -2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.749 2.627 -2.513 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -3.067 3.707 -3.752 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.210 6.294 -2.076 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.705 6.148 -3.779 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.851 6.774 -2.569 1.00 0.00 H new ATOM 797 N VAL A 51 -6.807 2.750 -1.911 1.00 0.00 N ATOM 798 CA VAL A 51 -7.284 1.405 -1.503 1.00 0.00 C ATOM 799 C VAL A 51 -8.320 0.889 -2.513 1.00 0.00 C ATOM 800 O VAL A 51 -8.224 -0.209 -3.017 1.00 0.00 O ATOM 801 CB VAL A 51 -7.837 1.476 -0.071 1.00 0.00 C ATOM 802 CG1 VAL A 51 -8.238 0.088 0.408 1.00 0.00 C ATOM 803 CG2 VAL A 51 -6.762 2.041 0.867 1.00 0.00 C ATOM 0 H VAL A 51 -6.972 3.495 -1.234 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.460 0.692 -1.502 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.713 2.124 -0.065 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.628 0.152 1.424 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.006 -0.316 -0.251 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.367 -0.567 0.395 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.155 2.091 1.882 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.886 1.393 0.849 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.480 3.041 0.537 1.00 0.00 H new ATOM 813 N ASP A 52 -9.343 1.667 -2.753 1.00 0.00 N ATOM 814 CA ASP A 52 -10.446 1.233 -3.666 1.00 0.00 C ATOM 815 C ASP A 52 -9.959 1.002 -5.099 1.00 0.00 C ATOM 816 O ASP A 52 -10.364 0.062 -5.756 1.00 0.00 O ATOM 817 CB ASP A 52 -11.530 2.316 -3.679 1.00 0.00 C ATOM 818 CG ASP A 52 -12.004 2.579 -2.248 1.00 0.00 C ATOM 819 OD1 ASP A 52 -11.957 1.657 -1.451 1.00 0.00 O ATOM 820 OD2 ASP A 52 -12.406 3.698 -1.975 1.00 0.00 O ATOM 0 H ASP A 52 -9.464 2.597 -2.351 1.00 0.00 H new ATOM 0 HA ASP A 52 -10.835 0.286 -3.292 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -11.138 3.233 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -12.369 1.999 -4.299 1.00 0.00 H new ATOM 825 N THR A 53 -9.119 1.863 -5.600 1.00 0.00 N ATOM 826 CA THR A 53 -8.633 1.709 -7.000 1.00 0.00 C ATOM 827 C THR A 53 -7.410 0.801 -7.054 1.00 0.00 C ATOM 828 O THR A 53 -7.270 0.018 -7.972 1.00 0.00 O ATOM 829 CB THR A 53 -8.270 3.086 -7.559 1.00 0.00 C ATOM 830 OG1 THR A 53 -9.338 3.991 -7.314 1.00 0.00 O ATOM 831 CG2 THR A 53 -8.024 2.980 -9.065 1.00 0.00 C ATOM 0 H THR A 53 -8.746 2.670 -5.099 1.00 0.00 H new ATOM 0 HA THR A 53 -9.424 1.257 -7.598 1.00 0.00 H new ATOM 0 HB THR A 53 -7.366 3.449 -7.071 1.00 0.00 H new ATOM 0 HG1 THR A 53 -9.204 4.428 -6.447 1.00 0.00 H new ATOM 0 HG21 THR A 53 -7.766 3.962 -9.461 1.00 0.00 H new ATOM 0 HG22 THR A 53 -7.204 2.286 -9.252 1.00 0.00 H new ATOM 0 HG23 THR A 53 -8.926 2.616 -9.556 1.00 0.00 H new ATOM 839 N TYR A 54 -6.507 0.908 -6.113 1.00 0.00 N ATOM 840 CA TYR A 54 -5.275 0.057 -6.158 1.00 0.00 C ATOM 841 C TYR A 54 -5.259 -0.999 -5.048 1.00 0.00 C ATOM 842 O TYR A 54 -4.220 -1.369 -4.540 1.00 0.00 O ATOM 843 CB TYR A 54 -4.050 0.950 -6.027 1.00 0.00 C ATOM 844 CG TYR A 54 -3.933 1.824 -7.254 1.00 0.00 C ATOM 845 CD1 TYR A 54 -4.570 3.066 -7.280 1.00 0.00 C ATOM 846 CD2 TYR A 54 -3.187 1.399 -8.359 1.00 0.00 C ATOM 847 CE1 TYR A 54 -4.467 3.887 -8.403 1.00 0.00 C ATOM 848 CE2 TYR A 54 -3.084 2.221 -9.490 1.00 0.00 C ATOM 849 CZ TYR A 54 -3.724 3.466 -9.511 1.00 0.00 C ATOM 850 OH TYR A 54 -3.621 4.277 -10.623 1.00 0.00 O ATOM 0 H TYR A 54 -6.567 1.544 -5.318 1.00 0.00 H new ATOM 0 HA TYR A 54 -5.267 -0.471 -7.111 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -4.131 1.568 -5.133 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.153 0.341 -5.914 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -5.145 3.393 -6.426 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -2.692 0.440 -8.341 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -4.961 4.847 -8.417 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -2.511 1.894 -10.345 1.00 0.00 H new ATOM 0 HH TYR A 54 -3.069 3.834 -11.301 1.00 0.00 H new ATOM 860 N GLY A 55 -6.414 -1.454 -4.640 1.00 0.00 N ATOM 861 CA GLY A 55 -6.485 -2.445 -3.531 1.00 0.00 C ATOM 862 C GLY A 55 -6.195 -3.861 -4.023 1.00 0.00 C ATOM 863 O GLY A 55 -5.327 -4.533 -3.502 1.00 0.00 O ATOM 0 H GLY A 55 -7.315 -1.179 -5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.769 -2.175 -2.755 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.475 -2.413 -3.076 1.00 0.00 H new ATOM 867 N SER A 56 -6.917 -4.345 -4.999 1.00 0.00 N ATOM 868 CA SER A 56 -6.654 -5.731 -5.457 1.00 0.00 C ATOM 869 C SER A 56 -5.267 -5.804 -6.075 1.00 0.00 C ATOM 870 O SER A 56 -4.635 -6.841 -6.102 1.00 0.00 O ATOM 871 CB SER A 56 -7.688 -6.158 -6.497 1.00 0.00 C ATOM 872 OG SER A 56 -8.958 -5.625 -6.147 1.00 0.00 O ATOM 0 H SER A 56 -7.662 -3.849 -5.488 1.00 0.00 H new ATOM 0 HA SER A 56 -6.718 -6.400 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 56 -7.393 -5.805 -7.485 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.740 -7.246 -6.549 1.00 0.00 H new ATOM 0 HG SER A 56 -9.622 -5.897 -6.814 1.00 0.00 H new ATOM 878 N SER A 57 -4.822 -4.714 -6.642 1.00 0.00 N ATOM 879 CA SER A 57 -3.510 -4.738 -7.335 1.00 0.00 C ATOM 880 C SER A 57 -2.353 -4.734 -6.340 1.00 0.00 C ATOM 881 O SER A 57 -1.455 -5.542 -6.427 1.00 0.00 O ATOM 882 CB SER A 57 -3.392 -3.565 -8.308 1.00 0.00 C ATOM 883 OG SER A 57 -3.522 -2.345 -7.590 1.00 0.00 O ATOM 0 H SER A 57 -5.308 -3.818 -6.653 1.00 0.00 H new ATOM 0 HA SER A 57 -3.452 -5.666 -7.904 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.431 -3.598 -8.821 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.164 -3.634 -9.074 1.00 0.00 H new ATOM 0 HG SER A 57 -3.445 -1.590 -8.211 1.00 0.00 H new ATOM 889 N ILE A 58 -2.394 -3.868 -5.357 1.00 0.00 N ATOM 890 CA ILE A 58 -1.316 -3.862 -4.332 1.00 0.00 C ATOM 891 C ILE A 58 -1.270 -5.243 -3.691 1.00 0.00 C ATOM 892 O ILE A 58 -0.261 -5.920 -3.659 1.00 0.00 O ATOM 893 CB ILE A 58 -1.626 -2.810 -3.243 1.00 0.00 C ATOM 894 CG1 ILE A 58 -1.334 -1.401 -3.794 1.00 0.00 C ATOM 895 CG2 ILE A 58 -0.749 -3.074 -2.001 1.00 0.00 C ATOM 896 CD1 ILE A 58 -1.740 -0.320 -2.774 1.00 0.00 C ATOM 0 H ILE A 58 -3.126 -3.170 -5.224 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.361 -3.617 -4.797 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.677 -2.879 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -0.273 -1.309 -4.025 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.878 -1.250 -4.726 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.970 -2.331 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.960 -4.070 -1.612 1.00 0.00 H new ATOM 0 HG23 ILE A 58 0.303 -3.008 -2.278 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -1.525 0.667 -3.184 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -2.806 -0.401 -2.563 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.176 -0.460 -1.852 1.00 0.00 H new ATOM 908 N LEU A 59 -2.394 -5.634 -3.171 1.00 0.00 N ATOM 909 CA LEU A 59 -2.525 -6.946 -2.497 1.00 0.00 C ATOM 910 C LEU A 59 -2.176 -8.059 -3.480 1.00 0.00 C ATOM 911 O LEU A 59 -1.787 -9.133 -3.074 1.00 0.00 O ATOM 912 CB LEU A 59 -3.975 -7.089 -2.014 1.00 0.00 C ATOM 913 CG LEU A 59 -4.231 -8.495 -1.448 1.00 0.00 C ATOM 914 CD1 LEU A 59 -3.197 -8.815 -0.358 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.652 -8.564 -0.847 1.00 0.00 C ATOM 0 H LEU A 59 -3.251 -5.081 -3.187 1.00 0.00 H new ATOM 0 HA LEU A 59 -1.846 -7.014 -1.647 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.182 -6.342 -1.248 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.658 -6.896 -2.841 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.142 -9.224 -2.253 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -3.384 -9.813 0.039 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -2.195 -8.776 -0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -3.278 -8.084 0.446 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -5.830 -9.562 -0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.744 -7.830 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.386 -8.348 -1.623 1.00 0.00 H new ATOM 927 N SER A 60 -2.322 -7.859 -4.762 1.00 0.00 N ATOM 928 CA SER A 60 -2.000 -8.984 -5.691 1.00 0.00 C ATOM 929 C SER A 60 -0.484 -9.050 -5.914 1.00 0.00 C ATOM 930 O SER A 60 0.091 -10.108 -6.079 1.00 0.00 O ATOM 931 CB SER A 60 -2.710 -8.761 -7.022 1.00 0.00 C ATOM 932 OG SER A 60 -2.236 -9.703 -7.975 1.00 0.00 O ATOM 0 H SER A 60 -2.640 -6.994 -5.198 1.00 0.00 H new ATOM 0 HA SER A 60 -2.338 -9.924 -5.256 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.787 -8.868 -6.894 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.530 -7.746 -7.377 1.00 0.00 H new ATOM 0 HG SER A 60 -2.693 -9.561 -8.830 1.00 0.00 H new ATOM 938 N ILE A 61 0.157 -7.909 -5.929 1.00 0.00 N ATOM 939 CA ILE A 61 1.635 -7.858 -6.152 1.00 0.00 C ATOM 940 C ILE A 61 2.381 -8.447 -4.953 1.00 0.00 C ATOM 941 O ILE A 61 3.277 -9.254 -5.099 1.00 0.00 O ATOM 942 CB ILE A 61 2.072 -6.389 -6.304 1.00 0.00 C ATOM 943 CG1 ILE A 61 1.147 -5.642 -7.324 1.00 0.00 C ATOM 944 CG2 ILE A 61 3.550 -6.348 -6.726 1.00 0.00 C ATOM 945 CD1 ILE A 61 1.930 -5.095 -8.525 1.00 0.00 C ATOM 0 H ILE A 61 -0.286 -7.000 -5.795 1.00 0.00 H new ATOM 0 HA ILE A 61 1.868 -8.433 -7.048 1.00 0.00 H new ATOM 0 HB ILE A 61 1.972 -5.870 -5.351 1.00 0.00 H new ATOM 0 HG12 ILE A 61 0.373 -6.324 -7.677 1.00 0.00 H new ATOM 0 HG13 ILE A 61 0.641 -4.820 -6.818 1.00 0.00 H new ATOM 0 HG21 ILE A 61 3.868 -5.311 -6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.159 -6.836 -5.965 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.672 -6.868 -7.676 1.00 0.00 H new ATOM 0 HD11 ILE A 61 1.246 -4.586 -9.204 1.00 0.00 H new ATOM 0 HD12 ILE A 61 2.686 -4.392 -8.176 1.00 0.00 H new ATOM 0 HD13 ILE A 61 2.415 -5.919 -9.049 1.00 0.00 H new ATOM 957 N LEU A 62 2.045 -8.012 -3.773 1.00 0.00 N ATOM 958 CA LEU A 62 2.764 -8.505 -2.568 1.00 0.00 C ATOM 959 C LEU A 62 2.742 -10.038 -2.545 1.00 0.00 C ATOM 960 O LEU A 62 3.637 -10.671 -2.019 1.00 0.00 O ATOM 961 CB LEU A 62 2.095 -7.913 -1.307 1.00 0.00 C ATOM 962 CG LEU A 62 3.097 -7.034 -0.533 1.00 0.00 C ATOM 963 CD1 LEU A 62 2.369 -6.234 0.556 1.00 0.00 C ATOM 964 CD2 LEU A 62 4.181 -7.927 0.106 1.00 0.00 C ATOM 0 H LEU A 62 1.303 -7.336 -3.591 1.00 0.00 H new ATOM 0 HA LEU A 62 3.806 -8.186 -2.591 1.00 0.00 H new ATOM 0 HB2 LEU A 62 1.226 -7.321 -1.592 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.736 -8.718 -0.666 1.00 0.00 H new ATOM 0 HG LEU A 62 3.567 -6.335 -1.225 1.00 0.00 H new ATOM 0 HD11 LEU A 62 3.087 -5.617 1.096 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.615 -5.595 0.096 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.886 -6.921 1.251 1.00 0.00 H new ATOM 0 HD21 LEU A 62 4.889 -7.305 0.653 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.713 -8.633 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.708 -8.475 -0.675 1.00 0.00 H new ATOM 976 N LEU A 63 1.738 -10.638 -3.113 1.00 0.00 N ATOM 977 CA LEU A 63 1.674 -12.124 -3.123 1.00 0.00 C ATOM 978 C LEU A 63 2.622 -12.680 -4.183 1.00 0.00 C ATOM 979 O LEU A 63 2.960 -13.848 -4.170 1.00 0.00 O ATOM 980 CB LEU A 63 0.240 -12.585 -3.389 1.00 0.00 C ATOM 981 CG LEU A 63 -0.684 -12.055 -2.286 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.123 -12.480 -2.588 1.00 0.00 C ATOM 983 CD2 LEU A 63 -0.250 -12.611 -0.917 1.00 0.00 C ATOM 0 H LEU A 63 0.959 -10.165 -3.571 1.00 0.00 H new ATOM 0 HA LEU A 63 1.984 -12.501 -2.148 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.094 -12.224 -4.362 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.197 -13.674 -3.421 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.622 -10.967 -2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.784 -12.106 -1.807 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.429 -12.070 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.181 -13.568 -2.623 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -0.913 -12.228 -0.142 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -0.302 -13.700 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 63 0.773 -12.300 -0.706 1.00 0.00 H new ATOM 995 N GLU A 64 3.068 -11.861 -5.101 1.00 0.00 N ATOM 996 CA GLU A 64 4.006 -12.365 -6.146 1.00 0.00 C ATOM 997 C GLU A 64 5.429 -12.289 -5.590 1.00 0.00 C ATOM 998 O GLU A 64 6.393 -12.135 -6.313 1.00 0.00 O ATOM 999 CB GLU A 64 3.882 -11.527 -7.422 1.00 0.00 C ATOM 1000 CG GLU A 64 2.636 -11.946 -8.202 1.00 0.00 C ATOM 1001 CD GLU A 64 2.615 -11.227 -9.553 1.00 0.00 C ATOM 1002 OE1 GLU A 64 3.272 -11.701 -10.464 1.00 0.00 O ATOM 1003 OE2 GLU A 64 1.942 -10.214 -9.651 1.00 0.00 O ATOM 0 H GLU A 64 2.825 -10.873 -5.171 1.00 0.00 H new ATOM 0 HA GLU A 64 3.763 -13.396 -6.401 1.00 0.00 H new ATOM 0 HB2 GLU A 64 3.824 -10.469 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 64 4.770 -11.658 -8.041 1.00 0.00 H new ATOM 0 HG2 GLU A 64 2.634 -13.026 -8.352 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.739 -11.701 -7.634 1.00 0.00 H new ATOM 1010 N GLU A 65 5.550 -12.445 -4.300 1.00 0.00 N ATOM 1011 CA GLU A 65 6.894 -12.444 -3.657 1.00 0.00 C ATOM 1012 C GLU A 65 7.742 -11.251 -4.109 1.00 0.00 C ATOM 1013 O GLU A 65 8.954 -11.324 -4.163 1.00 0.00 O ATOM 1014 CB GLU A 65 7.620 -13.718 -4.095 1.00 0.00 C ATOM 1015 CG GLU A 65 6.931 -14.938 -3.481 1.00 0.00 C ATOM 1016 CD GLU A 65 7.593 -16.215 -4.002 1.00 0.00 C ATOM 1017 OE1 GLU A 65 8.790 -16.357 -3.814 1.00 0.00 O ATOM 1018 OE2 GLU A 65 6.892 -17.028 -4.583 1.00 0.00 O ATOM 0 H GLU A 65 4.768 -12.574 -3.659 1.00 0.00 H new ATOM 0 HA GLU A 65 6.760 -12.386 -2.577 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.617 -13.795 -5.182 1.00 0.00 H new ATOM 0 HB3 GLU A 65 8.663 -13.680 -3.781 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.999 -14.898 -2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.871 -14.936 -3.735 1.00 0.00 H new ATOM 1025 N VAL A 66 7.116 -10.141 -4.406 1.00 0.00 N ATOM 1026 CA VAL A 66 7.884 -8.922 -4.822 1.00 0.00 C ATOM 1027 C VAL A 66 8.192 -8.096 -3.560 1.00 0.00 C ATOM 1028 O VAL A 66 7.400 -8.030 -2.641 1.00 0.00 O ATOM 1029 CB VAL A 66 7.025 -8.110 -5.822 1.00 0.00 C ATOM 1030 CG1 VAL A 66 7.363 -6.613 -5.751 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.288 -8.611 -7.249 1.00 0.00 C ATOM 0 H VAL A 66 6.103 -10.023 -4.379 1.00 0.00 H new ATOM 0 HA VAL A 66 8.821 -9.190 -5.310 1.00 0.00 H new ATOM 0 HB VAL A 66 5.976 -8.247 -5.559 1.00 0.00 H new ATOM 0 HG11 VAL A 66 6.745 -6.066 -6.464 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.169 -6.244 -4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 66 8.415 -6.466 -5.995 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.683 -8.039 -7.953 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.343 -8.484 -7.491 1.00 0.00 H new ATOM 0 HG23 VAL A 66 7.025 -9.666 -7.318 1.00 0.00 H new ATOM 1041 N SER A 67 9.343 -7.470 -3.512 1.00 0.00 N ATOM 1042 CA SER A 67 9.706 -6.653 -2.313 1.00 0.00 C ATOM 1043 C SER A 67 8.551 -5.678 -1.991 1.00 0.00 C ATOM 1044 O SER A 67 7.828 -5.291 -2.888 1.00 0.00 O ATOM 1045 CB SER A 67 10.995 -5.873 -2.610 1.00 0.00 C ATOM 1046 OG SER A 67 11.816 -6.644 -3.477 1.00 0.00 O ATOM 0 H SER A 67 10.046 -7.490 -4.251 1.00 0.00 H new ATOM 0 HA SER A 67 9.871 -7.301 -1.452 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.757 -4.915 -3.071 1.00 0.00 H new ATOM 0 HB3 SER A 67 11.526 -5.657 -1.683 1.00 0.00 H new ATOM 0 HG SER A 67 12.640 -6.151 -3.672 1.00 0.00 H new ATOM 1052 N PRO A 68 8.382 -5.311 -0.731 1.00 0.00 N ATOM 1053 CA PRO A 68 7.287 -4.397 -0.337 1.00 0.00 C ATOM 1054 C PRO A 68 7.466 -2.975 -0.916 1.00 0.00 C ATOM 1055 O PRO A 68 6.507 -2.344 -1.302 1.00 0.00 O ATOM 1056 CB PRO A 68 7.350 -4.355 1.210 1.00 0.00 C ATOM 1057 CG PRO A 68 8.673 -5.041 1.638 1.00 0.00 C ATOM 1058 CD PRO A 68 9.233 -5.768 0.398 1.00 0.00 C ATOM 0 HA PRO A 68 6.329 -4.749 -0.720 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.318 -3.326 1.568 1.00 0.00 H new ATOM 0 HB3 PRO A 68 6.493 -4.870 1.643 1.00 0.00 H new ATOM 0 HG2 PRO A 68 9.387 -4.304 2.007 1.00 0.00 H new ATOM 0 HG3 PRO A 68 8.495 -5.746 2.450 1.00 0.00 H new ATOM 0 HD2 PRO A 68 10.280 -5.515 0.231 1.00 0.00 H new ATOM 0 HD3 PRO A 68 9.182 -6.850 0.518 1.00 0.00 H new ATOM 1066 N GLU A 69 8.661 -2.444 -0.939 1.00 0.00 N ATOM 1067 CA GLU A 69 8.835 -1.044 -1.453 1.00 0.00 C ATOM 1068 C GLU A 69 8.835 -1.024 -2.990 1.00 0.00 C ATOM 1069 O GLU A 69 8.642 0.014 -3.612 1.00 0.00 O ATOM 1070 CB GLU A 69 10.150 -0.439 -0.901 1.00 0.00 C ATOM 1071 CG GLU A 69 11.138 -1.551 -0.532 1.00 0.00 C ATOM 1072 CD GLU A 69 12.473 -0.926 -0.121 1.00 0.00 C ATOM 1073 OE1 GLU A 69 12.455 0.193 0.364 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.490 -1.578 -0.299 1.00 0.00 O ATOM 0 H GLU A 69 9.515 -2.908 -0.630 1.00 0.00 H new ATOM 0 HA GLU A 69 7.996 -0.439 -1.108 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.596 0.219 -1.647 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.936 0.172 -0.024 1.00 0.00 H new ATOM 0 HG2 GLU A 69 10.738 -2.152 0.285 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.283 -2.221 -1.380 1.00 0.00 H new ATOM 1081 N LEU A 70 9.007 -2.150 -3.620 1.00 0.00 N ATOM 1082 CA LEU A 70 8.980 -2.143 -5.105 1.00 0.00 C ATOM 1083 C LEU A 70 7.525 -1.922 -5.527 1.00 0.00 C ATOM 1084 O LEU A 70 7.230 -1.620 -6.667 1.00 0.00 O ATOM 1085 CB LEU A 70 9.541 -3.463 -5.658 1.00 0.00 C ATOM 1086 CG LEU A 70 11.074 -3.470 -5.550 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.611 -4.872 -5.881 1.00 0.00 C ATOM 1088 CD2 LEU A 70 11.705 -2.437 -6.510 1.00 0.00 C ATOM 0 H LEU A 70 9.162 -3.058 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 70 9.607 -1.348 -5.508 1.00 0.00 H new ATOM 0 HB2 LEU A 70 9.126 -4.305 -5.104 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.241 -3.587 -6.699 1.00 0.00 H new ATOM 0 HG LEU A 70 11.344 -3.201 -4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.698 -4.873 -5.803 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.196 -5.595 -5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 70 11.320 -5.143 -6.896 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.790 -2.464 -6.412 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.427 -2.677 -7.536 1.00 0.00 H new ATOM 0 HD23 LEU A 70 11.343 -1.440 -6.260 1.00 0.00 H new ATOM 1100 N VAL A 71 6.612 -2.102 -4.603 1.00 0.00 N ATOM 1101 CA VAL A 71 5.165 -1.940 -4.932 1.00 0.00 C ATOM 1102 C VAL A 71 4.857 -0.488 -5.296 1.00 0.00 C ATOM 1103 O VAL A 71 4.296 -0.224 -6.337 1.00 0.00 O ATOM 1104 CB VAL A 71 4.296 -2.392 -3.732 1.00 0.00 C ATOM 1105 CG1 VAL A 71 2.893 -1.739 -3.766 1.00 0.00 C ATOM 1106 CG2 VAL A 71 4.156 -3.918 -3.748 1.00 0.00 C ATOM 0 H VAL A 71 6.809 -2.354 -3.635 1.00 0.00 H new ATOM 0 HA VAL A 71 4.930 -2.565 -5.793 1.00 0.00 H new ATOM 0 HB VAL A 71 4.792 -2.072 -2.816 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.312 -2.080 -2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 71 2.995 -0.655 -3.727 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.382 -2.022 -4.686 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.545 -4.236 -2.904 1.00 0.00 H new ATOM 0 HG22 VAL A 71 3.681 -4.230 -4.678 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.143 -4.375 -3.674 1.00 0.00 H new ATOM 1116 N CYS A 72 5.160 0.460 -4.458 1.00 0.00 N ATOM 1117 CA CYS A 72 4.792 1.854 -4.819 1.00 0.00 C ATOM 1118 C CYS A 72 5.590 2.313 -6.053 1.00 0.00 C ATOM 1119 O CYS A 72 5.142 3.148 -6.814 1.00 0.00 O ATOM 1120 CB CYS A 72 5.044 2.785 -3.622 1.00 0.00 C ATOM 1121 SG CYS A 72 4.266 2.108 -2.130 1.00 0.00 S ATOM 0 H CYS A 72 5.633 0.337 -3.563 1.00 0.00 H new ATOM 0 HA CYS A 72 3.732 1.893 -5.070 1.00 0.00 H new ATOM 0 HB2 CYS A 72 6.116 2.902 -3.462 1.00 0.00 H new ATOM 0 HB3 CYS A 72 4.643 3.777 -3.832 1.00 0.00 H new ATOM 1126 N SER A 73 6.767 1.768 -6.264 1.00 0.00 N ATOM 1127 CA SER A 73 7.572 2.184 -7.465 1.00 0.00 C ATOM 1128 C SER A 73 7.019 1.540 -8.760 1.00 0.00 C ATOM 1129 O SER A 73 7.003 2.167 -9.801 1.00 0.00 O ATOM 1130 CB SER A 73 9.033 1.783 -7.272 1.00 0.00 C ATOM 1131 OG SER A 73 9.850 2.551 -8.147 1.00 0.00 O ATOM 0 H SER A 73 7.202 1.064 -5.668 1.00 0.00 H new ATOM 0 HA SER A 73 7.499 3.267 -7.565 1.00 0.00 H new ATOM 0 HB2 SER A 73 9.334 1.947 -6.237 1.00 0.00 H new ATOM 0 HB3 SER A 73 9.160 0.720 -7.476 1.00 0.00 H new ATOM 0 HG SER A 73 10.789 2.297 -8.025 1.00 0.00 H new ATOM 1137 N MET A 74 6.580 0.308 -8.721 1.00 0.00 N ATOM 1138 CA MET A 74 6.047 -0.349 -9.969 1.00 0.00 C ATOM 1139 C MET A 74 4.677 0.242 -10.365 1.00 0.00 C ATOM 1140 O MET A 74 4.409 0.449 -11.532 1.00 0.00 O ATOM 1141 CB MET A 74 5.901 -1.880 -9.728 1.00 0.00 C ATOM 1142 CG MET A 74 7.104 -2.660 -10.294 1.00 0.00 C ATOM 1143 SD MET A 74 6.664 -4.410 -10.492 1.00 0.00 S ATOM 1144 CE MET A 74 5.823 -4.656 -8.906 1.00 0.00 C ATOM 0 H MET A 74 6.564 -0.276 -7.885 1.00 0.00 H new ATOM 0 HA MET A 74 6.750 -0.164 -10.782 1.00 0.00 H new ATOM 0 HB2 MET A 74 5.811 -2.074 -8.659 1.00 0.00 H new ATOM 0 HB3 MET A 74 4.983 -2.237 -10.195 1.00 0.00 H new ATOM 0 HG2 MET A 74 7.402 -2.240 -11.254 1.00 0.00 H new ATOM 0 HG3 MET A 74 7.959 -2.564 -9.625 1.00 0.00 H new ATOM 0 HE1 MET A 74 5.758 -5.722 -8.690 1.00 0.00 H new ATOM 0 HE2 MET A 74 6.385 -4.159 -8.115 1.00 0.00 H new ATOM 0 HE3 MET A 74 4.819 -4.235 -8.957 1.00 0.00 H new ATOM 1154 N LEU A 75 3.804 0.492 -9.432 1.00 0.00 N ATOM 1155 CA LEU A 75 2.463 1.038 -9.811 1.00 0.00 C ATOM 1156 C LEU A 75 2.590 2.495 -10.284 1.00 0.00 C ATOM 1157 O LEU A 75 1.624 3.229 -10.331 1.00 0.00 O ATOM 1158 CB LEU A 75 1.513 0.957 -8.611 1.00 0.00 C ATOM 1159 CG LEU A 75 1.472 -0.478 -8.052 1.00 0.00 C ATOM 1160 CD1 LEU A 75 0.378 -0.590 -6.988 1.00 0.00 C ATOM 1161 CD2 LEU A 75 1.187 -1.485 -9.179 1.00 0.00 C ATOM 0 H LEU A 75 3.953 0.346 -8.434 1.00 0.00 H new ATOM 0 HA LEU A 75 2.060 0.442 -10.630 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.840 1.647 -7.833 1.00 0.00 H new ATOM 0 HB3 LEU A 75 0.512 1.266 -8.911 1.00 0.00 H new ATOM 0 HG LEU A 75 2.441 -0.704 -7.608 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.354 -1.607 -6.597 1.00 0.00 H new ATOM 0 HD12 LEU A 75 0.587 0.106 -6.176 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.588 -0.349 -7.432 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.161 -2.494 -8.767 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.225 -1.255 -9.637 1.00 0.00 H new ATOM 0 HD23 LEU A 75 1.972 -1.420 -9.932 1.00 0.00 H new ATOM 1173 N HIS A 76 3.777 2.912 -10.636 1.00 0.00 N ATOM 1174 CA HIS A 76 3.980 4.316 -11.109 1.00 0.00 C ATOM 1175 C HIS A 76 3.314 5.291 -10.131 1.00 0.00 C ATOM 1176 O HIS A 76 2.991 6.403 -10.500 1.00 0.00 O ATOM 1177 CB HIS A 76 3.385 4.486 -12.511 1.00 0.00 C ATOM 1178 CG HIS A 76 4.037 3.512 -13.451 1.00 0.00 C ATOM 1179 ND1 HIS A 76 3.536 3.259 -14.719 1.00 0.00 N ATOM 1180 CD2 HIS A 76 5.151 2.718 -13.323 1.00 0.00 C ATOM 1181 CE1 HIS A 76 4.341 2.349 -15.298 1.00 0.00 C ATOM 1182 NE2 HIS A 76 5.340 1.985 -14.491 1.00 0.00 N ATOM 0 H HIS A 76 4.620 2.339 -10.617 1.00 0.00 H new ATOM 0 HA HIS A 76 5.048 4.530 -11.153 1.00 0.00 H new ATOM 0 HB2 HIS A 76 2.308 4.317 -12.484 1.00 0.00 H new ATOM 0 HB3 HIS A 76 3.539 5.506 -12.862 1.00 0.00 H new ATOM 0 HD2 HIS A 76 5.784 2.670 -12.449 1.00 0.00 H new ATOM 0 HE1 HIS A 76 4.196 1.960 -16.295 1.00 0.00 H new ATOM 0 HE2 HIS A 76 6.082 1.314 -14.688 1.00 0.00 H new ATOM 1190 N LEU A 77 3.092 4.916 -8.906 1.00 0.00 N ATOM 1191 CA LEU A 77 2.437 5.869 -7.961 1.00 0.00 C ATOM 1192 C LEU A 77 3.494 6.778 -7.325 1.00 0.00 C ATOM 1193 O LEU A 77 3.163 7.766 -6.700 1.00 0.00 O ATOM 1194 CB LEU A 77 1.677 5.094 -6.866 1.00 0.00 C ATOM 1195 CG LEU A 77 0.327 4.534 -7.369 1.00 0.00 C ATOM 1196 CD1 LEU A 77 -0.441 3.976 -6.166 1.00 0.00 C ATOM 1197 CD2 LEU A 77 -0.537 5.624 -8.041 1.00 0.00 C ATOM 0 H LEU A 77 3.331 4.004 -8.517 1.00 0.00 H new ATOM 0 HA LEU A 77 1.725 6.483 -8.513 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.298 4.272 -6.509 1.00 0.00 H new ATOM 0 HB3 LEU A 77 1.500 5.752 -6.015 1.00 0.00 H new ATOM 0 HG LEU A 77 0.532 3.762 -8.110 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -1.398 3.575 -6.499 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.142 3.182 -5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.614 4.773 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.476 5.186 -8.379 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.744 6.418 -7.323 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.001 6.038 -8.895 1.00 0.00 H new ATOM 1209 N CYS A 78 4.762 6.476 -7.500 1.00 0.00 N ATOM 1210 CA CYS A 78 5.842 7.352 -6.928 1.00 0.00 C ATOM 1211 C CYS A 78 6.814 7.731 -8.057 1.00 0.00 C ATOM 1212 O CYS A 78 6.943 7.024 -9.037 1.00 0.00 O ATOM 1213 CB CYS A 78 6.598 6.608 -5.814 1.00 0.00 C ATOM 1214 SG CYS A 78 6.922 7.742 -4.434 1.00 0.00 S ATOM 0 H CYS A 78 5.097 5.661 -8.014 1.00 0.00 H new ATOM 0 HA CYS A 78 5.398 8.250 -6.500 1.00 0.00 H new ATOM 0 HB2 CYS A 78 6.011 5.757 -5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 78 7.537 6.212 -6.200 1.00 0.00 H new ATOM 1219 N SER A 79 7.495 8.838 -7.930 1.00 0.00 N ATOM 1220 CA SER A 79 8.449 9.247 -9.000 1.00 0.00 C ATOM 1221 C SER A 79 9.562 8.200 -9.119 1.00 0.00 C ATOM 1222 O SER A 79 9.809 7.666 -10.183 1.00 0.00 O ATOM 1223 CB SER A 79 9.051 10.613 -8.659 1.00 0.00 C ATOM 1224 OG SER A 79 10.021 10.456 -7.632 1.00 0.00 O ATOM 0 H SER A 79 7.432 9.474 -7.135 1.00 0.00 H new ATOM 0 HA SER A 79 7.921 9.319 -9.951 1.00 0.00 H new ATOM 0 HB2 SER A 79 9.510 11.052 -9.545 1.00 0.00 H new ATOM 0 HB3 SER A 79 8.268 11.297 -8.334 1.00 0.00 H new ATOM 0 HG SER A 79 10.409 11.329 -7.413 1.00 0.00 H new ATOM 1230 N GLY A 80 10.237 7.894 -8.038 1.00 0.00 N ATOM 1231 CA GLY A 80 11.329 6.877 -8.093 1.00 0.00 C ATOM 1232 C GLY A 80 12.444 7.281 -7.126 1.00 0.00 C ATOM 1233 O GLY A 80 12.978 8.370 -7.205 1.00 0.00 O ATOM 0 H GLY A 80 10.077 8.306 -7.119 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.940 5.894 -7.828 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.721 6.802 -9.107 1.00 0.00 H new ATOM 1237 N LEU A 81 12.790 6.423 -6.203 1.00 0.00 N ATOM 1238 CA LEU A 81 13.859 6.772 -5.224 1.00 0.00 C ATOM 1239 C LEU A 81 15.056 7.363 -5.967 1.00 0.00 C ATOM 1240 O LEU A 81 15.908 7.982 -5.360 1.00 0.00 O ATOM 1241 CB LEU A 81 14.292 5.509 -4.462 1.00 0.00 C ATOM 1242 CG LEU A 81 13.291 5.185 -3.338 1.00 0.00 C ATOM 1243 CD1 LEU A 81 13.343 6.258 -2.229 1.00 0.00 C ATOM 1244 CD2 LEU A 81 11.874 5.102 -3.919 1.00 0.00 C ATOM 0 H LEU A 81 12.379 5.497 -6.085 1.00 0.00 H new ATOM 0 HA LEU A 81 13.477 7.506 -4.514 1.00 0.00 H new ATOM 0 HB2 LEU A 81 14.359 4.667 -5.151 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.286 5.655 -4.040 1.00 0.00 H new ATOM 0 HG LEU A 81 13.562 4.225 -2.898 1.00 0.00 H new ATOM 0 HD11 LEU A 81 12.627 6.007 -1.446 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.346 6.295 -1.805 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.092 7.231 -2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 81 11.167 4.873 -3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 81 11.611 6.057 -4.374 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.836 4.317 -4.675 1.00 0.00 H new ATOM 1256 N VAL A 82 15.160 7.196 -7.254 1.00 0.00 N ATOM 1257 CA VAL A 82 16.338 7.776 -7.967 1.00 0.00 C ATOM 1258 C VAL A 82 16.058 9.262 -8.282 1.00 0.00 C ATOM 1259 O VAL A 82 14.923 9.610 -8.543 1.00 0.00 O ATOM 1260 CB VAL A 82 16.557 7.011 -9.278 1.00 0.00 C ATOM 1261 CG1 VAL A 82 16.907 5.556 -8.966 1.00 0.00 C ATOM 1262 CG2 VAL A 82 15.279 7.055 -10.120 1.00 0.00 C ATOM 0 H VAL A 82 14.494 6.692 -7.839 1.00 0.00 H new ATOM 0 HA VAL A 82 17.227 7.695 -7.342 1.00 0.00 H new ATOM 0 HB VAL A 82 17.373 7.474 -9.833 1.00 0.00 H new ATOM 0 HG11 VAL A 82 17.063 5.012 -9.897 1.00 0.00 H new ATOM 0 HG12 VAL A 82 17.818 5.521 -8.368 1.00 0.00 H new ATOM 0 HG13 VAL A 82 16.090 5.097 -8.409 1.00 0.00 H new ATOM 0 HG21 VAL A 82 15.438 6.511 -11.051 1.00 0.00 H new ATOM 0 HG22 VAL A 82 14.462 6.594 -9.565 1.00 0.00 H new ATOM 0 HG23 VAL A 82 15.027 8.091 -10.344 1.00 0.00 H new ATOM 1272 N PRO A 83 17.078 10.108 -8.267 1.00 0.00 N ATOM 1273 CA PRO A 83 16.879 11.540 -8.571 1.00 0.00 C ATOM 1274 C PRO A 83 16.300 11.691 -9.983 1.00 0.00 C ATOM 1275 O PRO A 83 15.948 12.773 -10.411 1.00 0.00 O ATOM 1276 CB PRO A 83 18.288 12.172 -8.468 1.00 0.00 C ATOM 1277 CG PRO A 83 19.297 11.017 -8.207 1.00 0.00 C ATOM 1278 CD PRO A 83 18.476 9.733 -7.955 1.00 0.00 C ATOM 0 HA PRO A 83 16.179 12.025 -7.891 1.00 0.00 H new ATOM 0 HB2 PRO A 83 18.540 12.701 -9.387 1.00 0.00 H new ATOM 0 HB3 PRO A 83 18.323 12.902 -7.660 1.00 0.00 H new ATOM 0 HG2 PRO A 83 19.960 10.887 -9.062 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.927 11.245 -7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.817 8.915 -8.590 1.00 0.00 H new ATOM 0 HD3 PRO A 83 18.574 9.397 -6.923 1.00 0.00 H new ATOM 1286 N ARG A 84 16.205 10.611 -10.707 1.00 0.00 N ATOM 1287 CA ARG A 84 15.655 10.680 -12.093 1.00 0.00 C ATOM 1288 C ARG A 84 14.128 10.603 -12.040 1.00 0.00 C ATOM 1289 O ARG A 84 13.620 9.584 -11.601 1.00 0.00 O ATOM 1290 CB ARG A 84 16.198 9.507 -12.911 1.00 0.00 C ATOM 1291 CG ARG A 84 15.849 9.707 -14.388 1.00 0.00 C ATOM 1292 CD ARG A 84 16.229 8.456 -15.183 1.00 0.00 C ATOM 1293 NE ARG A 84 17.607 8.001 -14.796 1.00 0.00 N ATOM 1294 CZ ARG A 84 18.646 8.787 -14.900 1.00 0.00 C ATOM 1295 NH1 ARG A 84 18.548 9.939 -15.504 1.00 0.00 N ATOM 1296 NH2 ARG A 84 19.804 8.394 -14.443 1.00 0.00 N ATOM 1297 OXT ARG A 84 13.492 11.564 -12.441 1.00 0.00 O ATOM 0 H ARG A 84 16.485 9.680 -10.399 1.00 0.00 H new ATOM 0 HA ARG A 84 15.954 11.619 -12.559 1.00 0.00 H new ATOM 0 HB2 ARG A 84 17.279 9.434 -12.789 1.00 0.00 H new ATOM 0 HB3 ARG A 84 15.773 8.571 -12.550 1.00 0.00 H new ATOM 0 HG2 ARG A 84 14.783 9.908 -14.496 1.00 0.00 H new ATOM 0 HG3 ARG A 84 16.378 10.575 -14.782 1.00 0.00 H new ATOM 0 HD2 ARG A 84 15.508 7.661 -14.993 1.00 0.00 H new ATOM 0 HD3 ARG A 84 16.194 8.669 -16.251 1.00 0.00 H new ATOM 0 HE ARG A 84 17.735 7.053 -14.442 1.00 0.00 H new ATOM 0 HH11 ARG A 84 17.655 10.233 -15.900 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.364 10.546 -15.580 1.00 0.00 H new ATOM 0 HH21 ARG A 84 19.895 7.477 -14.007 1.00 0.00 H new ATOM 0 HH22 ARG A 84 20.617 9.004 -14.522 1.00 0.00 H new TER 1311 ARG A 84