USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 753 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 NoAdj-H: A 7 HIS HD1 : A 7 HIS ND1 : A 103 ZNZN :(H bumps) USER MOD NoAdj-H: A 57 HIS HE2 : A 57 HIS NE2 : A 104 ZNZN :(H bumps) USER MOD NoAdj-H: A 63 HIS HD1 : A 63 HIS ND1 : A 104 ZNZN :(H bumps) USER MOD Set 1.1: A 88 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 91 MET CE :methyl 143:sc= -0.548 (180deg=-1.34) USER MOD Set 2.1: A 69 TYR OH : rot 180:sc= 0.823 USER MOD Set 2.2: A 95 ASN : amide:sc= -2.51! K(o=-1.7!,f=-0.11) USER MOD Set 3.1: A 21 CYS SG : rot -153:sc= -0.0828! USER MOD Set 3.2: A 24 CYS SG : rot -148:sc= 1.95 USER MOD Set 3.3: A 29 SER OG : rot 180:sc= 0 USER MOD Set 3.4: A 45 CYS SG : rot -100:sc= -0.252 USER MOD Set 3.5: A 51 HIS : no HE2:sc= -0.0234 K(o=1.6,f=-3.3!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -157:sc= 1.32 (180deg=0.929) USER MOD Single : A 2 THR OG1 : rot 180:sc= -0.0289 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot -28:sc= 0.0687 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= -0.477! C(o=-0.48!,f=-6.6!) USER MOD Single : A 39 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0.382 K(o=0.38,f=-5.6!) USER MOD Single : A 46 CYS SG : rot 137:sc= -2.14! USER MOD Single : A 49 SER OG : rot 150:sc= -0.201 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 HIS : no HD1:sc= -0.518 X(o=-0.52,f=-0.7) USER MOD Single : A 55 THR OG1 : rot -9:sc= -0.262 USER MOD Single : A 59 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 61 THR OG1 : rot -65:sc= 0.923 USER MOD Single : A 79 TYR OH : rot -110:sc= -0.772! USER MOD Single : A 84 MET CE :methyl -142:sc= -0.0993 (180deg=-0.524) USER MOD Single : A 92 THR OG1 : rot 95:sc= 1.25 USER MOD Single : A 94 HIS : no HD1:sc= -0.519 X(o=-0.52,f=-0.076) USER MOD Single : A 101 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.687 0.182 -2.056 1.00 0.00 N ATOM 2 CA MET A 1 4.165 -0.629 -0.935 1.00 0.00 C ATOM 3 C MET A 1 3.352 -1.800 -1.471 1.00 0.00 C ATOM 4 O MET A 1 2.961 -1.812 -2.639 1.00 0.00 O ATOM 5 CB MET A 1 3.290 0.227 -0.008 1.00 0.00 C ATOM 6 CG MET A 1 1.907 0.548 -0.566 1.00 0.00 C ATOM 7 SD MET A 1 1.959 1.454 -2.125 1.00 0.00 S ATOM 8 CE MET A 1 0.209 1.656 -2.449 1.00 0.00 C ATOM 0 H1 MET A 1 5.522 0.714 -1.740 1.00 0.00 H new ATOM 0 H2 MET A 1 4.953 -0.444 -2.843 1.00 0.00 H new ATOM 0 H3 MET A 1 3.953 0.847 -2.375 1.00 0.00 H new ATOM 0 HA MET A 1 5.012 -1.009 -0.364 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.173 -0.293 0.943 1.00 0.00 H new ATOM 0 HB3 MET A 1 3.810 1.162 0.201 1.00 0.00 H new ATOM 0 HG2 MET A 1 1.357 -0.382 -0.712 1.00 0.00 H new ATOM 0 HG3 MET A 1 1.354 1.133 0.168 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.072 2.200 -3.383 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.262 0.676 -2.528 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.250 2.215 -1.633 1.00 0.00 H new ATOM 20 N THR A 2 3.114 -2.783 -0.621 1.00 0.00 N ATOM 21 CA THR A 2 2.258 -3.903 -0.967 1.00 0.00 C ATOM 22 C THR A 2 0.916 -3.752 -0.249 1.00 0.00 C ATOM 23 O THR A 2 0.782 -2.911 0.644 1.00 0.00 O ATOM 24 CB THR A 2 2.925 -5.253 -0.597 1.00 0.00 C ATOM 25 OG1 THR A 2 2.140 -6.353 -1.074 1.00 0.00 O ATOM 26 CG2 THR A 2 3.117 -5.385 0.906 1.00 0.00 C ATOM 0 H THR A 2 3.505 -2.828 0.320 1.00 0.00 H new ATOM 0 HA THR A 2 2.096 -3.903 -2.045 1.00 0.00 H new ATOM 0 HB THR A 2 3.904 -5.272 -1.076 1.00 0.00 H new ATOM 0 HG1 THR A 2 2.578 -7.196 -0.833 1.00 0.00 H new ATOM 0 HG21 THR A 2 3.587 -6.343 1.130 1.00 0.00 H new ATOM 0 HG22 THR A 2 3.754 -4.576 1.264 1.00 0.00 H new ATOM 0 HG23 THR A 2 2.148 -5.331 1.403 1.00 0.00 H new ATOM 34 N MET A 3 -0.077 -4.536 -0.652 1.00 0.00 N ATOM 35 CA MET A 3 -1.384 -4.504 -0.004 1.00 0.00 C ATOM 36 C MET A 3 -1.280 -4.996 1.433 1.00 0.00 C ATOM 37 O MET A 3 -1.893 -4.432 2.341 1.00 0.00 O ATOM 38 CB MET A 3 -2.400 -5.351 -0.776 1.00 0.00 C ATOM 39 CG MET A 3 -2.816 -4.746 -2.107 1.00 0.00 C ATOM 40 SD MET A 3 -3.610 -3.137 -1.919 1.00 0.00 S ATOM 41 CE MET A 3 -4.006 -2.755 -3.624 1.00 0.00 C ATOM 0 H MET A 3 -0.003 -5.200 -1.422 1.00 0.00 H new ATOM 0 HA MET A 3 -1.730 -3.470 0.001 1.00 0.00 H new ATOM 0 HB2 MET A 3 -1.976 -6.339 -0.953 1.00 0.00 H new ATOM 0 HB3 MET A 3 -3.287 -5.491 -0.158 1.00 0.00 H new ATOM 0 HG2 MET A 3 -1.938 -4.642 -2.745 1.00 0.00 H new ATOM 0 HG3 MET A 3 -3.499 -5.427 -2.614 1.00 0.00 H new ATOM 0 HE1 MET A 3 -4.503 -1.786 -3.674 1.00 0.00 H new ATOM 0 HE2 MET A 3 -3.089 -2.723 -4.212 1.00 0.00 H new ATOM 0 HE3 MET A 3 -4.667 -3.523 -4.025 1.00 0.00 H new ATOM 51 N GLY A 4 -0.493 -6.043 1.636 1.00 0.00 N ATOM 52 CA GLY A 4 -0.278 -6.555 2.970 1.00 0.00 C ATOM 53 C GLY A 4 0.054 -8.027 2.972 1.00 0.00 C ATOM 54 O GLY A 4 0.688 -8.532 2.046 1.00 0.00 O ATOM 0 H GLY A 4 0.000 -6.546 0.898 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.533 -6.001 3.443 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -1.172 -6.386 3.570 1.00 0.00 H new ATOM 58 N CYS A 5 -0.355 -8.710 4.025 1.00 0.00 N ATOM 59 CA CYS A 5 -0.181 -10.147 4.124 1.00 0.00 C ATOM 60 C CYS A 5 -1.138 -10.699 5.174 1.00 0.00 C ATOM 61 O CYS A 5 -1.651 -9.939 5.995 1.00 0.00 O ATOM 62 CB CYS A 5 1.265 -10.493 4.479 1.00 0.00 C ATOM 63 SG CYS A 5 1.768 -10.015 6.164 1.00 0.00 S ATOM 0 H CYS A 5 -0.815 -8.287 4.831 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.405 -10.602 3.159 1.00 0.00 H new ATOM 0 HB2 CYS A 5 1.407 -11.568 4.363 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.927 -10.005 3.764 1.00 0.00 H new ATOM 68 N ARG A 6 -1.367 -12.009 5.155 1.00 0.00 N ATOM 69 CA ARG A 6 -2.319 -12.649 6.071 1.00 0.00 C ATOM 70 C ARG A 6 -1.966 -12.407 7.542 1.00 0.00 C ATOM 71 O ARG A 6 -2.836 -12.480 8.411 1.00 0.00 O ATOM 72 CB ARG A 6 -2.408 -14.152 5.789 1.00 0.00 C ATOM 73 CG ARG A 6 -1.059 -14.836 5.667 1.00 0.00 C ATOM 74 CD ARG A 6 -1.210 -16.326 5.427 1.00 0.00 C ATOM 75 NE ARG A 6 -1.550 -17.052 6.649 1.00 0.00 N ATOM 76 CZ ARG A 6 -2.387 -18.084 6.692 1.00 0.00 C ATOM 77 NH1 ARG A 6 -3.087 -18.425 5.618 1.00 0.00 N ATOM 78 NH2 ARG A 6 -2.550 -18.758 7.820 1.00 0.00 N ATOM 0 H ARG A 6 -0.906 -12.655 4.514 1.00 0.00 H new ATOM 0 HA ARG A 6 -3.291 -12.190 5.891 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -2.975 -14.629 6.589 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -2.967 -14.306 4.866 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -0.497 -14.390 4.847 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -0.482 -14.670 6.577 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -1.985 -16.495 4.679 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -0.280 -16.722 5.018 1.00 0.00 H new ATOM 0 HE ARG A 6 -1.119 -16.748 7.522 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -2.985 -17.894 4.753 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -3.728 -19.218 5.657 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -2.033 -18.485 8.656 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -3.192 -19.550 7.853 1.00 0.00 H new ATOM 92 N HIS A 7 -0.697 -12.112 7.818 1.00 0.00 N ATOM 93 CA HIS A 7 -0.261 -11.784 9.178 1.00 0.00 C ATOM 94 C HIS A 7 -0.965 -10.530 9.692 1.00 0.00 C ATOM 95 O HIS A 7 -1.092 -10.330 10.898 1.00 0.00 O ATOM 96 CB HIS A 7 1.254 -11.569 9.243 1.00 0.00 C ATOM 97 CG HIS A 7 2.065 -12.780 8.903 1.00 0.00 C ATOM 98 ND1 HIS A 7 3.177 -12.685 8.110 1.00 0.00 N ATOM 99 CD2 HIS A 7 1.902 -14.069 9.288 1.00 0.00 C ATOM 100 CE1 HIS A 7 3.670 -13.908 8.028 1.00 0.00 C ATOM 101 NE2 HIS A 7 2.930 -14.782 8.727 1.00 0.00 N ATOM 0 H HIS A 7 0.047 -12.093 7.121 1.00 0.00 H new ATOM 0 HA HIS A 7 -0.526 -12.632 9.809 1.00 0.00 H new ATOM 0 HB2 HIS A 7 1.524 -10.763 8.561 1.00 0.00 H new ATOM 0 HB3 HIS A 7 1.519 -11.239 10.247 1.00 0.00 H new ATOM 0 HD2 HIS A 7 1.114 -14.459 9.916 1.00 0.00 H new ATOM 0 HE1 HIS A 7 4.556 -14.171 7.469 1.00 0.00 H new ATOM 0 HE2 HIS A 7 3.099 -15.783 8.823 1.00 0.00 H new ATOM 109 N VAL A 8 -1.408 -9.680 8.767 1.00 0.00 N ATOM 110 CA VAL A 8 -2.064 -8.426 9.120 1.00 0.00 C ATOM 111 C VAL A 8 -3.337 -8.689 9.932 1.00 0.00 C ATOM 112 O VAL A 8 -3.748 -7.866 10.743 1.00 0.00 O ATOM 113 CB VAL A 8 -2.375 -7.568 7.862 1.00 0.00 C ATOM 114 CG1 VAL A 8 -3.853 -7.585 7.507 1.00 0.00 C ATOM 115 CG2 VAL A 8 -1.897 -6.140 8.060 1.00 0.00 C ATOM 0 H VAL A 8 -1.323 -9.840 7.763 1.00 0.00 H new ATOM 0 HA VAL A 8 -1.373 -7.856 9.741 1.00 0.00 H new ATOM 0 HB VAL A 8 -1.834 -8.014 7.027 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.022 -6.972 6.622 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -4.167 -8.609 7.304 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.432 -7.186 8.340 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.123 -5.554 7.169 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.404 -5.703 8.920 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -0.821 -6.137 8.233 1.00 0.00 H new ATOM 125 N ALA A 9 -3.954 -9.846 9.713 1.00 0.00 N ATOM 126 CA ALA A 9 -5.160 -10.219 10.447 1.00 0.00 C ATOM 127 C ALA A 9 -4.833 -10.587 11.896 1.00 0.00 C ATOM 128 O ALA A 9 -5.729 -10.876 12.692 1.00 0.00 O ATOM 129 CB ALA A 9 -5.864 -11.372 9.749 1.00 0.00 C ATOM 0 H ALA A 9 -3.640 -10.541 9.035 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.828 -9.358 10.464 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.762 -11.641 10.306 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -6.140 -11.071 8.738 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -5.195 -12.231 9.702 1.00 0.00 H new ATOM 135 N GLY A 10 -3.548 -10.582 12.230 1.00 0.00 N ATOM 136 CA GLY A 10 -3.128 -10.880 13.585 1.00 0.00 C ATOM 137 C GLY A 10 -2.757 -9.632 14.364 1.00 0.00 C ATOM 138 O GLY A 10 -2.455 -9.700 15.556 1.00 0.00 O ATOM 0 H GLY A 10 -2.787 -10.376 11.583 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.931 -11.404 14.104 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.273 -11.555 13.557 1.00 0.00 H new ATOM 142 N ILE A 11 -2.755 -8.489 13.692 1.00 0.00 N ATOM 143 CA ILE A 11 -2.454 -7.225 14.349 1.00 0.00 C ATOM 144 C ILE A 11 -3.729 -6.441 14.632 1.00 0.00 C ATOM 145 O ILE A 11 -4.744 -6.606 13.953 1.00 0.00 O ATOM 146 CB ILE A 11 -1.482 -6.346 13.533 1.00 0.00 C ATOM 147 CG1 ILE A 11 -2.099 -5.964 12.186 1.00 0.00 C ATOM 148 CG2 ILE A 11 -0.158 -7.070 13.341 1.00 0.00 C ATOM 149 CD1 ILE A 11 -1.257 -5.018 11.360 1.00 0.00 C ATOM 0 H ILE A 11 -2.958 -8.411 12.695 1.00 0.00 H new ATOM 0 HA ILE A 11 -1.964 -7.480 15.289 1.00 0.00 H new ATOM 0 HB ILE A 11 -1.294 -5.426 14.086 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.275 -6.872 11.610 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -3.072 -5.505 12.363 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.520 -6.441 12.764 1.00 0.00 H new ATOM 0 HG22 ILE A 11 0.284 -7.284 14.314 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -0.329 -8.005 12.807 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -1.768 -4.800 10.422 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.102 -4.091 11.913 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -0.293 -5.480 11.148 1.00 0.00 H new ATOM 161 N ARG A 12 -3.674 -5.599 15.645 1.00 0.00 N ATOM 162 CA ARG A 12 -4.801 -4.755 15.999 1.00 0.00 C ATOM 163 C ARG A 12 -4.355 -3.305 16.077 1.00 0.00 C ATOM 164 O ARG A 12 -3.157 -3.019 16.128 1.00 0.00 O ATOM 165 CB ARG A 12 -5.428 -5.190 17.333 1.00 0.00 C ATOM 166 CG ARG A 12 -4.424 -5.394 18.462 1.00 0.00 C ATOM 167 CD ARG A 12 -3.931 -6.833 18.519 1.00 0.00 C ATOM 168 NE ARG A 12 -5.006 -7.758 18.871 1.00 0.00 N ATOM 169 CZ ARG A 12 -5.038 -9.045 18.527 1.00 0.00 C ATOM 170 NH1 ARG A 12 -4.052 -9.576 17.818 1.00 0.00 N ATOM 171 NH2 ARG A 12 -6.064 -9.800 18.894 1.00 0.00 N ATOM 0 H ARG A 12 -2.855 -5.480 16.242 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.560 -4.858 15.224 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.155 -4.439 17.641 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.976 -6.119 17.177 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -3.576 -4.723 18.322 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.886 -5.129 19.413 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.512 -7.113 17.553 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.127 -6.914 19.251 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.786 -7.393 19.418 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -3.261 -8.999 17.532 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.084 -10.562 17.559 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.826 -9.395 19.438 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -6.091 -10.785 18.632 1.00 0.00 H new ATOM 185 N THR A 13 -5.314 -2.394 16.054 1.00 0.00 N ATOM 186 CA THR A 13 -5.023 -0.985 16.238 1.00 0.00 C ATOM 187 C THR A 13 -4.637 -0.741 17.690 1.00 0.00 C ATOM 188 O THR A 13 -5.492 -0.656 18.573 1.00 0.00 O ATOM 189 CB THR A 13 -6.230 -0.113 15.849 1.00 0.00 C ATOM 190 OG1 THR A 13 -6.704 -0.503 14.551 1.00 0.00 O ATOM 191 CG2 THR A 13 -5.856 1.363 15.831 1.00 0.00 C ATOM 0 H THR A 13 -6.301 -2.607 15.909 1.00 0.00 H new ATOM 0 HA THR A 13 -4.194 -0.708 15.587 1.00 0.00 H new ATOM 0 HB THR A 13 -7.014 -0.260 16.592 1.00 0.00 H new ATOM 0 HG1 THR A 13 -7.474 0.051 14.304 1.00 0.00 H new ATOM 0 HG21 THR A 13 -6.727 1.956 15.553 1.00 0.00 H new ATOM 0 HG22 THR A 13 -5.513 1.664 16.821 1.00 0.00 H new ATOM 0 HG23 THR A 13 -5.059 1.528 15.106 1.00 0.00 H new ATOM 199 N VAL A 14 -3.340 -0.667 17.928 1.00 0.00 N ATOM 200 CA VAL A 14 -2.806 -0.639 19.277 1.00 0.00 C ATOM 201 C VAL A 14 -2.588 0.784 19.773 1.00 0.00 C ATOM 202 O VAL A 14 -2.519 1.729 18.988 1.00 0.00 O ATOM 203 CB VAL A 14 -1.479 -1.421 19.355 1.00 0.00 C ATOM 204 CG1 VAL A 14 -1.721 -2.905 19.143 1.00 0.00 C ATOM 205 CG2 VAL A 14 -0.484 -0.891 18.330 1.00 0.00 C ATOM 0 H VAL A 14 -2.631 -0.625 17.196 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.546 -1.114 19.921 1.00 0.00 H new ATOM 0 HB VAL A 14 -1.056 -1.280 20.350 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.773 -3.440 19.202 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.396 -3.277 19.914 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.168 -3.064 18.162 1.00 0.00 H new ATOM 0 HG21 VAL A 14 0.446 -1.455 18.400 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.900 -1.001 17.329 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -0.285 0.162 18.527 1.00 0.00 H new ATOM 215 N THR A 15 -2.495 0.924 21.084 1.00 0.00 N ATOM 216 CA THR A 15 -2.237 2.211 21.702 1.00 0.00 C ATOM 217 C THR A 15 -0.768 2.311 22.118 1.00 0.00 C ATOM 218 O THR A 15 -0.270 1.455 22.853 1.00 0.00 O ATOM 219 CB THR A 15 -3.145 2.410 22.932 1.00 0.00 C ATOM 220 OG1 THR A 15 -4.504 2.113 22.577 1.00 0.00 O ATOM 221 CG2 THR A 15 -3.057 3.835 23.462 1.00 0.00 C ATOM 0 H THR A 15 -2.596 0.154 21.745 1.00 0.00 H new ATOM 0 HA THR A 15 -2.455 2.993 20.975 1.00 0.00 H new ATOM 0 HB THR A 15 -2.807 1.734 23.718 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.081 2.238 23.359 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.709 3.942 24.329 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.029 4.052 23.752 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.370 4.532 22.685 1.00 0.00 H new ATOM 229 N PRO A 16 -0.057 3.348 21.640 1.00 0.00 N ATOM 230 CA PRO A 16 1.369 3.543 21.935 1.00 0.00 C ATOM 231 C PRO A 16 1.655 3.583 23.433 1.00 0.00 C ATOM 232 O PRO A 16 1.120 4.424 24.157 1.00 0.00 O ATOM 233 CB PRO A 16 1.692 4.896 21.295 1.00 0.00 C ATOM 234 CG PRO A 16 0.645 5.092 20.254 1.00 0.00 C ATOM 235 CD PRO A 16 -0.591 4.412 20.773 1.00 0.00 C ATOM 0 HA PRO A 16 1.974 2.721 21.551 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.669 5.697 22.034 1.00 0.00 H new ATOM 0 HB3 PRO A 16 2.690 4.896 20.856 1.00 0.00 H new ATOM 0 HG2 PRO A 16 0.462 6.152 20.080 1.00 0.00 H new ATOM 0 HG3 PRO A 16 0.956 4.661 19.302 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.226 5.102 21.329 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -1.196 4.004 19.963 1.00 0.00 H new ATOM 243 N SER A 17 2.488 2.658 23.892 1.00 0.00 N ATOM 244 CA SER A 17 2.838 2.574 25.302 1.00 0.00 C ATOM 245 C SER A 17 4.035 3.469 25.623 1.00 0.00 C ATOM 246 O SER A 17 4.320 3.744 26.787 1.00 0.00 O ATOM 247 CB SER A 17 3.146 1.120 25.677 1.00 0.00 C ATOM 248 OG SER A 17 3.256 0.957 27.081 1.00 0.00 O ATOM 0 H SER A 17 2.935 1.953 23.305 1.00 0.00 H new ATOM 0 HA SER A 17 1.989 2.923 25.890 1.00 0.00 H new ATOM 0 HB2 SER A 17 2.359 0.470 25.295 1.00 0.00 H new ATOM 0 HB3 SER A 17 4.075 0.809 25.200 1.00 0.00 H new ATOM 0 HG SER A 17 3.553 1.799 27.486 1.00 0.00 H new ATOM 254 N ALA A 18 4.729 3.920 24.588 1.00 0.00 N ATOM 255 CA ALA A 18 5.901 4.766 24.764 1.00 0.00 C ATOM 256 C ALA A 18 5.929 5.855 23.699 1.00 0.00 C ATOM 257 O ALA A 18 5.339 5.695 22.629 1.00 0.00 O ATOM 258 CB ALA A 18 7.173 3.926 24.709 1.00 0.00 C ATOM 0 H ALA A 18 4.500 3.714 23.616 1.00 0.00 H new ATOM 0 HA ALA A 18 5.847 5.243 25.743 1.00 0.00 H new ATOM 0 HB1 ALA A 18 8.041 4.571 24.842 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.151 3.180 25.503 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.237 3.426 23.743 1.00 0.00 H new ATOM 264 N LEU A 19 6.592 6.965 24.001 1.00 0.00 N ATOM 265 CA LEU A 19 6.735 8.056 23.046 1.00 0.00 C ATOM 266 C LEU A 19 7.979 7.843 22.199 1.00 0.00 C ATOM 267 O LEU A 19 7.911 7.773 20.975 1.00 0.00 O ATOM 268 CB LEU A 19 6.829 9.401 23.773 1.00 0.00 C ATOM 269 CG LEU A 19 5.578 9.815 24.548 1.00 0.00 C ATOM 270 CD1 LEU A 19 5.822 11.114 25.297 1.00 0.00 C ATOM 271 CD2 LEU A 19 4.395 9.961 23.607 1.00 0.00 C ATOM 0 H LEU A 19 7.040 7.133 24.902 1.00 0.00 H new ATOM 0 HA LEU A 19 5.856 8.068 22.402 1.00 0.00 H new ATOM 0 HB2 LEU A 19 7.669 9.362 24.466 1.00 0.00 H new ATOM 0 HB3 LEU A 19 7.055 10.176 23.041 1.00 0.00 H new ATOM 0 HG LEU A 19 5.349 9.035 25.274 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.921 11.394 25.843 1.00 0.00 H new ATOM 0 HD12 LEU A 19 6.645 10.980 25.999 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.075 11.901 24.587 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.513 10.256 24.175 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.617 10.722 22.859 1.00 0.00 H new ATOM 0 HD23 LEU A 19 4.205 9.009 23.111 1.00 0.00 H new ATOM 283 N GLY A 20 9.115 7.746 22.867 1.00 0.00 N ATOM 284 CA GLY A 20 10.359 7.483 22.182 1.00 0.00 C ATOM 285 C GLY A 20 10.761 6.031 22.304 1.00 0.00 C ATOM 286 O GLY A 20 9.906 5.153 22.431 1.00 0.00 O ATOM 0 H GLY A 20 9.197 7.846 23.879 1.00 0.00 H new ATOM 0 HA2 GLY A 20 10.259 7.747 21.129 1.00 0.00 H new ATOM 0 HA3 GLY A 20 11.144 8.115 22.596 1.00 0.00 H new ATOM 290 N CYS A 21 12.056 5.767 22.272 1.00 0.00 N ATOM 291 CA CYS A 21 12.545 4.410 22.422 1.00 0.00 C ATOM 292 C CYS A 21 12.492 3.991 23.882 1.00 0.00 C ATOM 293 O CYS A 21 13.275 4.474 24.700 1.00 0.00 O ATOM 294 CB CYS A 21 13.972 4.279 21.893 1.00 0.00 C ATOM 295 SG CYS A 21 14.687 2.632 22.119 1.00 0.00 S ATOM 0 H CYS A 21 12.783 6.471 22.144 1.00 0.00 H new ATOM 0 HA CYS A 21 11.902 3.753 21.837 1.00 0.00 H new ATOM 0 HB2 CYS A 21 13.980 4.526 20.831 1.00 0.00 H new ATOM 0 HB3 CYS A 21 14.604 5.011 22.395 1.00 0.00 H new ATOM 0 HG CYS A 21 15.981 2.727 22.194 1.00 0.00 H new ATOM 301 N GLU A 22 11.564 3.091 24.187 1.00 0.00 N ATOM 302 CA GLU A 22 11.367 2.577 25.541 1.00 0.00 C ATOM 303 C GLU A 22 12.692 2.133 26.171 1.00 0.00 C ATOM 304 O GLU A 22 12.929 2.332 27.362 1.00 0.00 O ATOM 305 CB GLU A 22 10.400 1.393 25.487 1.00 0.00 C ATOM 306 CG GLU A 22 9.931 0.910 26.846 1.00 0.00 C ATOM 307 CD GLU A 22 8.884 1.811 27.461 1.00 0.00 C ATOM 308 OE1 GLU A 22 9.229 2.918 27.911 1.00 0.00 O ATOM 309 OE2 GLU A 22 7.705 1.393 27.509 1.00 0.00 O ATOM 0 H GLU A 22 10.923 2.694 23.500 1.00 0.00 H new ATOM 0 HA GLU A 22 10.955 3.375 26.158 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.530 1.676 24.894 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.884 0.566 24.967 1.00 0.00 H new ATOM 0 HG2 GLU A 22 9.525 -0.097 26.748 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.787 0.844 27.518 1.00 0.00 H new ATOM 316 N GLU A 23 13.558 1.546 25.353 1.00 0.00 N ATOM 317 CA GLU A 23 14.843 1.050 25.826 1.00 0.00 C ATOM 318 C GLU A 23 15.812 2.199 26.081 1.00 0.00 C ATOM 319 O GLU A 23 16.426 2.283 27.137 1.00 0.00 O ATOM 320 CB GLU A 23 15.438 0.083 24.801 1.00 0.00 C ATOM 321 CG GLU A 23 16.767 -0.524 25.222 1.00 0.00 C ATOM 322 CD GLU A 23 16.668 -1.330 26.502 1.00 0.00 C ATOM 323 OE1 GLU A 23 15.551 -1.756 26.858 1.00 0.00 O ATOM 324 OE2 GLU A 23 17.710 -1.543 27.155 1.00 0.00 O ATOM 0 H GLU A 23 13.392 1.402 24.357 1.00 0.00 H new ATOM 0 HA GLU A 23 14.681 0.525 26.767 1.00 0.00 H new ATOM 0 HB2 GLU A 23 14.725 -0.721 24.618 1.00 0.00 H new ATOM 0 HB3 GLU A 23 15.574 0.609 23.856 1.00 0.00 H new ATOM 0 HG2 GLU A 23 17.137 -1.165 24.422 1.00 0.00 H new ATOM 0 HG3 GLU A 23 17.499 0.273 25.356 1.00 0.00 H new ATOM 331 N CYS A 24 15.935 3.091 25.115 1.00 0.00 N ATOM 332 CA CYS A 24 16.889 4.185 25.209 1.00 0.00 C ATOM 333 C CYS A 24 16.532 5.152 26.339 1.00 0.00 C ATOM 334 O CYS A 24 17.416 5.739 26.961 1.00 0.00 O ATOM 335 CB CYS A 24 16.967 4.927 23.876 1.00 0.00 C ATOM 336 SG CYS A 24 17.647 3.942 22.518 1.00 0.00 S ATOM 0 H CYS A 24 15.387 3.081 24.255 1.00 0.00 H new ATOM 0 HA CYS A 24 17.865 3.759 25.440 1.00 0.00 H new ATOM 0 HB2 CYS A 24 15.967 5.263 23.601 1.00 0.00 H new ATOM 0 HB3 CYS A 24 17.579 5.819 24.005 1.00 0.00 H new ATOM 0 HG CYS A 24 18.297 4.718 21.702 1.00 0.00 H new ATOM 342 N LEU A 25 15.242 5.284 26.626 1.00 0.00 N ATOM 343 CA LEU A 25 14.765 6.236 27.629 1.00 0.00 C ATOM 344 C LEU A 25 15.223 5.873 29.040 1.00 0.00 C ATOM 345 O LEU A 25 15.239 6.726 29.927 1.00 0.00 O ATOM 346 CB LEU A 25 13.239 6.331 27.589 1.00 0.00 C ATOM 347 CG LEU A 25 12.662 6.966 26.324 1.00 0.00 C ATOM 348 CD1 LEU A 25 11.143 6.956 26.368 1.00 0.00 C ATOM 349 CD2 LEU A 25 13.181 8.385 26.163 1.00 0.00 C ATOM 0 H LEU A 25 14.503 4.742 26.178 1.00 0.00 H new ATOM 0 HA LEU A 25 15.200 7.204 27.381 1.00 0.00 H new ATOM 0 HB2 LEU A 25 12.825 5.328 27.695 1.00 0.00 H new ATOM 0 HB3 LEU A 25 12.904 6.907 28.451 1.00 0.00 H new ATOM 0 HG LEU A 25 12.984 6.379 25.464 1.00 0.00 H new ATOM 0 HD11 LEU A 25 10.750 7.412 25.459 1.00 0.00 H new ATOM 0 HD12 LEU A 25 10.788 5.928 26.441 1.00 0.00 H new ATOM 0 HD13 LEU A 25 10.800 7.521 27.235 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.762 8.825 25.258 1.00 0.00 H new ATOM 0 HD22 LEU A 25 12.885 8.981 27.027 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.268 8.368 26.089 1.00 0.00 H new ATOM 361 N LYS A 26 15.612 4.621 29.248 1.00 0.00 N ATOM 362 CA LYS A 26 16.007 4.167 30.578 1.00 0.00 C ATOM 363 C LYS A 26 17.380 4.720 30.960 1.00 0.00 C ATOM 364 O LYS A 26 17.723 4.795 32.139 1.00 0.00 O ATOM 365 CB LYS A 26 16.014 2.635 30.644 1.00 0.00 C ATOM 366 CG LYS A 26 17.211 1.986 29.964 1.00 0.00 C ATOM 367 CD LYS A 26 16.981 0.504 29.719 1.00 0.00 C ATOM 368 CE LYS A 26 16.719 -0.253 31.010 1.00 0.00 C ATOM 369 NZ LYS A 26 16.309 -1.656 30.747 1.00 0.00 N ATOM 0 H LYS A 26 15.663 3.907 28.521 1.00 0.00 H new ATOM 0 HA LYS A 26 15.276 4.544 31.293 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.994 2.328 31.690 1.00 0.00 H new ATOM 0 HB3 LYS A 26 15.101 2.259 30.183 1.00 0.00 H new ATOM 0 HG2 LYS A 26 17.406 2.486 29.015 1.00 0.00 H new ATOM 0 HG3 LYS A 26 18.098 2.119 30.583 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.134 0.375 29.045 1.00 0.00 H new ATOM 0 HD3 LYS A 26 17.852 0.080 29.220 1.00 0.00 H new ATOM 0 HE2 LYS A 26 17.618 -0.245 31.626 1.00 0.00 H new ATOM 0 HE3 LYS A 26 15.939 0.254 31.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 16.138 -2.143 31.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 15.437 -1.662 30.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.064 -2.147 30.226 1.00 0.00 H new ATOM 383 N ILE A 27 18.161 5.114 29.958 1.00 0.00 N ATOM 384 CA ILE A 27 19.508 5.626 30.196 1.00 0.00 C ATOM 385 C ILE A 27 19.718 6.985 29.533 1.00 0.00 C ATOM 386 O ILE A 27 20.771 7.606 29.685 1.00 0.00 O ATOM 387 CB ILE A 27 20.586 4.643 29.690 1.00 0.00 C ATOM 388 CG1 ILE A 27 20.307 4.245 28.237 1.00 0.00 C ATOM 389 CG2 ILE A 27 20.650 3.414 30.590 1.00 0.00 C ATOM 390 CD1 ILE A 27 21.338 3.306 27.650 1.00 0.00 C ATOM 0 H ILE A 27 17.886 5.089 28.976 1.00 0.00 H new ATOM 0 HA ILE A 27 19.609 5.739 31.275 1.00 0.00 H new ATOM 0 HB ILE A 27 21.556 5.140 29.725 1.00 0.00 H new ATOM 0 HG12 ILE A 27 19.326 3.772 28.182 1.00 0.00 H new ATOM 0 HG13 ILE A 27 20.261 5.146 27.626 1.00 0.00 H new ATOM 0 HG21 ILE A 27 21.415 2.731 30.220 1.00 0.00 H new ATOM 0 HG22 ILE A 27 20.898 3.720 31.606 1.00 0.00 H new ATOM 0 HG23 ILE A 27 19.683 2.911 30.588 1.00 0.00 H new ATOM 0 HD11 ILE A 27 21.071 3.071 26.620 1.00 0.00 H new ATOM 0 HD12 ILE A 27 22.318 3.783 27.671 1.00 0.00 H new ATOM 0 HD13 ILE A 27 21.369 2.387 28.236 1.00 0.00 H new ATOM 402 N GLY A 28 18.709 7.450 28.809 1.00 0.00 N ATOM 403 CA GLY A 28 18.827 8.704 28.091 1.00 0.00 C ATOM 404 C GLY A 28 19.614 8.550 26.806 1.00 0.00 C ATOM 405 O GLY A 28 20.344 9.453 26.398 1.00 0.00 O ATOM 0 H GLY A 28 17.809 6.981 28.706 1.00 0.00 H new ATOM 0 HA2 GLY A 28 17.832 9.086 27.863 1.00 0.00 H new ATOM 0 HA3 GLY A 28 19.314 9.442 28.728 1.00 0.00 H new ATOM 409 N SER A 29 19.467 7.399 26.177 1.00 0.00 N ATOM 410 CA SER A 29 20.164 7.103 24.939 1.00 0.00 C ATOM 411 C SER A 29 19.364 7.643 23.754 1.00 0.00 C ATOM 412 O SER A 29 18.134 7.664 23.790 1.00 0.00 O ATOM 413 CB SER A 29 20.363 5.586 24.816 1.00 0.00 C ATOM 414 OG SER A 29 21.103 5.238 23.659 1.00 0.00 O ATOM 0 H SER A 29 18.864 6.646 26.508 1.00 0.00 H new ATOM 0 HA SER A 29 21.142 7.585 24.942 1.00 0.00 H new ATOM 0 HB2 SER A 29 20.880 5.216 25.701 1.00 0.00 H new ATOM 0 HB3 SER A 29 19.391 5.094 24.785 1.00 0.00 H new ATOM 0 HG SER A 29 21.209 4.265 23.619 1.00 0.00 H new ATOM 420 N PRO A 30 20.049 8.121 22.707 1.00 0.00 N ATOM 421 CA PRO A 30 19.396 8.591 21.489 1.00 0.00 C ATOM 422 C PRO A 30 18.874 7.437 20.637 1.00 0.00 C ATOM 423 O PRO A 30 19.125 6.263 20.932 1.00 0.00 O ATOM 424 CB PRO A 30 20.506 9.348 20.739 1.00 0.00 C ATOM 425 CG PRO A 30 21.662 9.421 21.685 1.00 0.00 C ATOM 426 CD PRO A 30 21.504 8.265 22.627 1.00 0.00 C ATOM 0 HA PRO A 30 18.525 9.208 21.711 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.783 8.827 19.822 1.00 0.00 H new ATOM 0 HB3 PRO A 30 20.173 10.345 20.451 1.00 0.00 H new ATOM 0 HG2 PRO A 30 22.609 9.360 21.148 1.00 0.00 H new ATOM 0 HG3 PRO A 30 21.663 10.367 22.226 1.00 0.00 H new ATOM 0 HD2 PRO A 30 21.981 7.362 22.246 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.946 8.472 23.602 1.00 0.00 H new ATOM 434 N TRP A 31 18.140 7.778 19.590 1.00 0.00 N ATOM 435 CA TRP A 31 17.634 6.793 18.650 1.00 0.00 C ATOM 436 C TRP A 31 17.506 7.419 17.270 1.00 0.00 C ATOM 437 O TRP A 31 17.441 8.645 17.142 1.00 0.00 O ATOM 438 CB TRP A 31 16.281 6.234 19.111 1.00 0.00 C ATOM 439 CG TRP A 31 15.225 7.278 19.326 1.00 0.00 C ATOM 440 CD1 TRP A 31 14.439 7.862 18.373 1.00 0.00 C ATOM 441 CD2 TRP A 31 14.832 7.853 20.577 1.00 0.00 C ATOM 442 NE1 TRP A 31 13.585 8.766 18.956 1.00 0.00 N ATOM 443 CE2 TRP A 31 13.807 8.778 20.307 1.00 0.00 C ATOM 444 CE3 TRP A 31 15.249 7.674 21.899 1.00 0.00 C ATOM 445 CZ2 TRP A 31 13.193 9.520 21.311 1.00 0.00 C ATOM 446 CZ3 TRP A 31 14.640 8.412 22.894 1.00 0.00 C ATOM 447 CH2 TRP A 31 13.622 9.325 22.596 1.00 0.00 C ATOM 0 H TRP A 31 17.880 8.739 19.369 1.00 0.00 H new ATOM 0 HA TRP A 31 18.340 5.964 18.604 1.00 0.00 H new ATOM 0 HB2 TRP A 31 15.924 5.520 18.369 1.00 0.00 H new ATOM 0 HB3 TRP A 31 16.426 5.683 20.040 1.00 0.00 H new ATOM 0 HD1 TRP A 31 14.483 7.645 17.316 1.00 0.00 H new ATOM 0 HE1 TRP A 31 12.897 9.336 18.463 1.00 0.00 H new ATOM 0 HE3 TRP A 31 16.033 6.971 22.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 12.406 10.224 21.085 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 14.954 8.283 23.919 1.00 0.00 H new ATOM 0 HH2 TRP A 31 13.165 9.888 23.397 1.00 0.00 H new ATOM 458 N VAL A 32 17.495 6.586 16.242 1.00 0.00 N ATOM 459 CA VAL A 32 17.352 7.071 14.880 1.00 0.00 C ATOM 460 C VAL A 32 15.878 7.108 14.482 1.00 0.00 C ATOM 461 O VAL A 32 15.318 8.172 14.244 1.00 0.00 O ATOM 462 CB VAL A 32 18.143 6.206 13.874 1.00 0.00 C ATOM 463 CG1 VAL A 32 18.123 6.837 12.491 1.00 0.00 C ATOM 464 CG2 VAL A 32 19.576 6.005 14.346 1.00 0.00 C ATOM 0 H VAL A 32 17.583 5.573 16.325 1.00 0.00 H new ATOM 0 HA VAL A 32 17.763 8.080 14.850 1.00 0.00 H new ATOM 0 HB VAL A 32 17.661 5.230 13.814 1.00 0.00 H new ATOM 0 HG11 VAL A 32 18.686 6.212 11.798 1.00 0.00 H new ATOM 0 HG12 VAL A 32 17.093 6.925 12.146 1.00 0.00 H new ATOM 0 HG13 VAL A 32 18.576 7.827 12.536 1.00 0.00 H new ATOM 0 HG21 VAL A 32 20.115 5.393 13.623 1.00 0.00 H new ATOM 0 HG22 VAL A 32 20.067 6.973 14.440 1.00 0.00 H new ATOM 0 HG23 VAL A 32 19.573 5.504 15.314 1.00 0.00 H new ATOM 474 N HIS A 33 15.246 5.945 14.419 1.00 0.00 N ATOM 475 CA HIS A 33 13.829 5.879 14.078 1.00 0.00 C ATOM 476 C HIS A 33 13.090 4.999 15.076 1.00 0.00 C ATOM 477 O HIS A 33 13.698 4.167 15.753 1.00 0.00 O ATOM 478 CB HIS A 33 13.618 5.345 12.655 1.00 0.00 C ATOM 479 CG HIS A 33 14.313 6.142 11.591 1.00 0.00 C ATOM 480 ND1 HIS A 33 13.957 7.429 11.255 1.00 0.00 N ATOM 481 CD2 HIS A 33 15.361 5.825 10.796 1.00 0.00 C ATOM 482 CE1 HIS A 33 14.757 7.870 10.301 1.00 0.00 C ATOM 483 NE2 HIS A 33 15.619 6.915 10.004 1.00 0.00 N ATOM 0 H HIS A 33 15.685 5.042 14.597 1.00 0.00 H new ATOM 0 HA HIS A 33 13.429 6.892 14.122 1.00 0.00 H new ATOM 0 HB2 HIS A 33 13.970 4.314 12.610 1.00 0.00 H new ATOM 0 HB3 HIS A 33 12.550 5.327 12.440 1.00 0.00 H new ATOM 0 HD1 HIS A 33 13.195 7.959 11.677 1.00 0.00 H new ATOM 0 HD2 HIS A 33 15.896 4.887 10.787 1.00 0.00 H new ATOM 0 HE1 HIS A 33 14.713 8.846 9.842 1.00 0.00 H new ATOM 492 N LEU A 34 11.783 5.184 15.160 1.00 0.00 N ATOM 493 CA LEU A 34 10.964 4.442 16.105 1.00 0.00 C ATOM 494 C LEU A 34 10.034 3.475 15.389 1.00 0.00 C ATOM 495 O LEU A 34 9.511 3.775 14.311 1.00 0.00 O ATOM 496 CB LEU A 34 10.146 5.405 16.963 1.00 0.00 C ATOM 497 CG LEU A 34 10.969 6.330 17.856 1.00 0.00 C ATOM 498 CD1 LEU A 34 10.065 7.317 18.573 1.00 0.00 C ATOM 499 CD2 LEU A 34 11.777 5.515 18.855 1.00 0.00 C ATOM 0 H LEU A 34 11.264 5.845 14.582 1.00 0.00 H new ATOM 0 HA LEU A 34 11.632 3.865 16.744 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.526 6.015 16.307 1.00 0.00 H new ATOM 0 HB3 LEU A 34 9.470 4.824 17.591 1.00 0.00 H new ATOM 0 HG LEU A 34 11.662 6.894 17.232 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.667 7.969 19.205 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.528 7.918 17.839 1.00 0.00 H new ATOM 0 HD13 LEU A 34 9.349 6.773 19.190 1.00 0.00 H new ATOM 0 HD21 LEU A 34 12.360 6.186 19.486 1.00 0.00 H new ATOM 0 HD22 LEU A 34 11.101 4.928 19.477 1.00 0.00 H new ATOM 0 HD23 LEU A 34 12.450 4.846 18.319 1.00 0.00 H new ATOM 511 N ARG A 35 9.844 2.314 15.992 1.00 0.00 N ATOM 512 CA ARG A 35 8.945 1.304 15.459 1.00 0.00 C ATOM 513 C ARG A 35 7.880 0.964 16.496 1.00 0.00 C ATOM 514 O ARG A 35 8.202 0.513 17.597 1.00 0.00 O ATOM 515 CB ARG A 35 9.717 0.030 15.096 1.00 0.00 C ATOM 516 CG ARG A 35 10.915 0.250 14.184 1.00 0.00 C ATOM 517 CD ARG A 35 10.507 0.784 12.821 1.00 0.00 C ATOM 518 NE ARG A 35 11.655 0.898 11.921 1.00 0.00 N ATOM 519 CZ ARG A 35 11.898 1.960 11.156 1.00 0.00 C ATOM 520 NH1 ARG A 35 11.080 3.006 11.189 1.00 0.00 N ATOM 521 NH2 ARG A 35 12.965 1.979 10.367 1.00 0.00 N ATOM 0 H ARG A 35 10.306 2.045 16.861 1.00 0.00 H new ATOM 0 HA ARG A 35 8.475 1.702 14.560 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.060 -0.445 16.015 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.033 -0.668 14.613 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.605 0.950 14.655 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.452 -0.690 14.058 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.762 0.123 12.379 1.00 0.00 H new ATOM 0 HD3 ARG A 35 10.037 1.761 12.938 1.00 0.00 H new ATOM 0 HE ARG A 35 12.309 0.116 11.877 1.00 0.00 H new ATOM 0 HH11 ARG A 35 10.264 2.996 11.801 1.00 0.00 H new ATOM 0 HH12 ARG A 35 11.268 3.819 10.602 1.00 0.00 H new ATOM 0 HH21 ARG A 35 13.599 1.180 10.347 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.151 2.793 9.781 1.00 0.00 H new ATOM 535 N ILE A 36 6.620 1.189 16.155 1.00 0.00 N ATOM 536 CA ILE A 36 5.526 0.816 17.037 1.00 0.00 C ATOM 537 C ILE A 36 4.962 -0.532 16.614 1.00 0.00 C ATOM 538 O ILE A 36 4.536 -0.730 15.479 1.00 0.00 O ATOM 539 CB ILE A 36 4.406 1.885 17.088 1.00 0.00 C ATOM 540 CG1 ILE A 36 3.266 1.409 17.994 1.00 0.00 C ATOM 541 CG2 ILE A 36 3.892 2.215 15.693 1.00 0.00 C ATOM 542 CD1 ILE A 36 2.176 2.437 18.196 1.00 0.00 C ATOM 0 H ILE A 36 6.331 1.625 15.279 1.00 0.00 H new ATOM 0 HA ILE A 36 5.931 0.744 18.047 1.00 0.00 H new ATOM 0 HB ILE A 36 4.825 2.801 17.506 1.00 0.00 H new ATOM 0 HG12 ILE A 36 2.827 0.507 17.567 1.00 0.00 H new ATOM 0 HG13 ILE A 36 3.677 1.134 18.965 1.00 0.00 H new ATOM 0 HG21 ILE A 36 3.107 2.968 15.763 1.00 0.00 H new ATOM 0 HG22 ILE A 36 4.711 2.600 15.085 1.00 0.00 H new ATOM 0 HG23 ILE A 36 3.490 1.314 15.231 1.00 0.00 H new ATOM 0 HD11 ILE A 36 1.405 2.027 18.848 1.00 0.00 H new ATOM 0 HD12 ILE A 36 2.600 3.331 18.653 1.00 0.00 H new ATOM 0 HD13 ILE A 36 1.736 2.695 17.233 1.00 0.00 H new ATOM 554 N CYS A 37 5.002 -1.464 17.537 1.00 0.00 N ATOM 555 CA CYS A 37 4.603 -2.832 17.274 1.00 0.00 C ATOM 556 C CYS A 37 3.081 -2.975 17.279 1.00 0.00 C ATOM 557 O CYS A 37 2.440 -2.811 18.318 1.00 0.00 O ATOM 558 CB CYS A 37 5.234 -3.712 18.336 1.00 0.00 C ATOM 559 SG CYS A 37 4.796 -5.463 18.257 1.00 0.00 S ATOM 0 H CYS A 37 5.312 -1.298 18.494 1.00 0.00 H new ATOM 0 HA CYS A 37 4.943 -3.134 16.284 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.318 -3.623 18.260 1.00 0.00 H new ATOM 0 HB3 CYS A 37 4.951 -3.328 19.316 1.00 0.00 H new ATOM 564 N ARG A 38 2.518 -3.326 16.123 1.00 0.00 N ATOM 565 CA ARG A 38 1.063 -3.369 15.931 1.00 0.00 C ATOM 566 C ARG A 38 0.403 -4.560 16.626 1.00 0.00 C ATOM 567 O ARG A 38 -0.788 -4.806 16.447 1.00 0.00 O ATOM 568 CB ARG A 38 0.733 -3.422 14.437 1.00 0.00 C ATOM 569 CG ARG A 38 0.904 -2.096 13.720 1.00 0.00 C ATOM 570 CD ARG A 38 -0.128 -1.078 14.179 1.00 0.00 C ATOM 571 NE ARG A 38 -1.500 -1.504 13.889 1.00 0.00 N ATOM 572 CZ ARG A 38 -2.423 -0.703 13.353 1.00 0.00 C ATOM 573 NH1 ARG A 38 -2.101 0.530 12.995 1.00 0.00 N ATOM 574 NH2 ARG A 38 -3.656 -1.147 13.145 1.00 0.00 N ATOM 0 H ARG A 38 3.052 -3.588 15.295 1.00 0.00 H new ATOM 0 HA ARG A 38 0.665 -2.461 16.383 1.00 0.00 H new ATOM 0 HB2 ARG A 38 1.371 -4.166 13.961 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -0.296 -3.760 14.314 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.906 -1.708 13.904 1.00 0.00 H new ATOM 0 HG3 ARG A 38 0.813 -2.248 12.644 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.020 -0.914 15.251 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.064 -0.123 13.689 1.00 0.00 H new ATOM 0 HE ARG A 38 -1.764 -2.465 14.109 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.148 0.867 13.129 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.806 1.143 12.585 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -3.902 -2.105 13.395 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.358 -0.531 12.735 1.00 0.00 H new ATOM 588 N THR A 39 1.159 -5.302 17.413 1.00 0.00 N ATOM 589 CA THR A 39 0.599 -6.464 18.079 1.00 0.00 C ATOM 590 C THR A 39 0.387 -6.212 19.572 1.00 0.00 C ATOM 591 O THR A 39 -0.451 -6.851 20.202 1.00 0.00 O ATOM 592 CB THR A 39 1.502 -7.693 17.887 1.00 0.00 C ATOM 593 OG1 THR A 39 1.958 -7.753 16.529 1.00 0.00 O ATOM 594 CG2 THR A 39 0.755 -8.972 18.232 1.00 0.00 C ATOM 0 H THR A 39 2.145 -5.126 17.605 1.00 0.00 H new ATOM 0 HA THR A 39 -0.372 -6.657 17.622 1.00 0.00 H new ATOM 0 HB THR A 39 2.357 -7.599 18.556 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.399 -8.613 16.370 1.00 0.00 H new ATOM 0 HG21 THR A 39 1.414 -9.828 18.089 1.00 0.00 H new ATOM 0 HG22 THR A 39 0.430 -8.934 19.272 1.00 0.00 H new ATOM 0 HG23 THR A 39 -0.115 -9.071 17.583 1.00 0.00 H new ATOM 602 N CYS A 40 1.132 -5.270 20.135 1.00 0.00 N ATOM 603 CA CYS A 40 1.047 -5.020 21.573 1.00 0.00 C ATOM 604 C CYS A 40 1.167 -3.527 21.908 1.00 0.00 C ATOM 605 O CYS A 40 0.999 -3.130 23.056 1.00 0.00 O ATOM 606 CB CYS A 40 2.121 -5.831 22.307 1.00 0.00 C ATOM 607 SG CYS A 40 3.822 -5.302 21.951 1.00 0.00 S ATOM 0 H CYS A 40 1.791 -4.675 19.632 1.00 0.00 H new ATOM 0 HA CYS A 40 0.062 -5.341 21.910 1.00 0.00 H new ATOM 0 HB2 CYS A 40 1.946 -5.758 23.380 1.00 0.00 H new ATOM 0 HB3 CYS A 40 2.015 -6.882 22.038 1.00 0.00 H new ATOM 612 N GLY A 41 1.460 -2.698 20.906 1.00 0.00 N ATOM 613 CA GLY A 41 1.478 -1.259 21.117 1.00 0.00 C ATOM 614 C GLY A 41 2.755 -0.747 21.755 1.00 0.00 C ATOM 615 O GLY A 41 2.812 0.402 22.194 1.00 0.00 O ATOM 0 H GLY A 41 1.684 -2.996 19.957 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.337 -0.759 20.159 1.00 0.00 H new ATOM 0 HA3 GLY A 41 0.633 -0.984 21.748 1.00 0.00 H new ATOM 619 N HIS A 42 3.791 -1.573 21.804 1.00 0.00 N ATOM 620 CA HIS A 42 5.042 -1.135 22.405 1.00 0.00 C ATOM 621 C HIS A 42 5.949 -0.535 21.340 1.00 0.00 C ATOM 622 O HIS A 42 6.035 -1.056 20.225 1.00 0.00 O ATOM 623 CB HIS A 42 5.747 -2.284 23.130 1.00 0.00 C ATOM 624 CG HIS A 42 6.275 -1.884 24.476 1.00 0.00 C ATOM 625 ND1 HIS A 42 6.132 -2.661 25.603 1.00 0.00 N ATOM 626 CD2 HIS A 42 6.927 -0.766 24.875 1.00 0.00 C ATOM 627 CE1 HIS A 42 6.667 -2.035 26.637 1.00 0.00 C ATOM 628 NE2 HIS A 42 7.156 -0.883 26.221 1.00 0.00 N ATOM 0 H HIS A 42 3.792 -2.527 21.444 1.00 0.00 H new ATOM 0 HA HIS A 42 4.813 -0.371 23.148 1.00 0.00 H new ATOM 0 HB2 HIS A 42 5.051 -3.114 23.250 1.00 0.00 H new ATOM 0 HB3 HIS A 42 6.571 -2.645 22.514 1.00 0.00 H new ATOM 0 HD2 HIS A 42 7.214 0.065 24.248 1.00 0.00 H new ATOM 0 HE1 HIS A 42 6.698 -2.405 27.651 1.00 0.00 H new ATOM 0 HE2 HIS A 42 7.627 -0.192 26.805 1.00 0.00 H new ATOM 637 N VAL A 43 6.597 0.568 21.684 1.00 0.00 N ATOM 638 CA VAL A 43 7.457 1.280 20.751 1.00 0.00 C ATOM 639 C VAL A 43 8.925 1.094 21.123 1.00 0.00 C ATOM 640 O VAL A 43 9.287 1.138 22.300 1.00 0.00 O ATOM 641 CB VAL A 43 7.128 2.791 20.730 1.00 0.00 C ATOM 642 CG1 VAL A 43 7.959 3.516 19.682 1.00 0.00 C ATOM 643 CG2 VAL A 43 5.643 3.013 20.484 1.00 0.00 C ATOM 0 H VAL A 43 6.542 0.992 22.610 1.00 0.00 H new ATOM 0 HA VAL A 43 7.277 0.864 19.760 1.00 0.00 H new ATOM 0 HB VAL A 43 7.381 3.205 21.706 1.00 0.00 H new ATOM 0 HG11 VAL A 43 7.708 4.577 19.688 1.00 0.00 H new ATOM 0 HG12 VAL A 43 9.018 3.392 19.908 1.00 0.00 H new ATOM 0 HG13 VAL A 43 7.747 3.099 18.697 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.432 4.082 20.473 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.364 2.578 19.524 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.068 2.538 21.279 1.00 0.00 H new ATOM 653 N GLY A 44 9.756 0.870 20.118 1.00 0.00 N ATOM 654 CA GLY A 44 11.179 0.737 20.343 1.00 0.00 C ATOM 655 C GLY A 44 11.975 1.347 19.212 1.00 0.00 C ATOM 656 O GLY A 44 11.407 1.707 18.179 1.00 0.00 O ATOM 0 H GLY A 44 9.468 0.777 19.144 1.00 0.00 H new ATOM 0 HA2 GLY A 44 11.447 1.222 21.282 1.00 0.00 H new ATOM 0 HA3 GLY A 44 11.436 -0.317 20.444 1.00 0.00 H new ATOM 660 N CYS A 45 13.280 1.476 19.399 1.00 0.00 N ATOM 661 CA CYS A 45 14.141 2.015 18.358 1.00 0.00 C ATOM 662 C CYS A 45 14.315 0.991 17.251 1.00 0.00 C ATOM 663 O CYS A 45 14.318 -0.217 17.509 1.00 0.00 O ATOM 664 CB CYS A 45 15.511 2.391 18.925 1.00 0.00 C ATOM 665 SG CYS A 45 16.482 0.974 19.495 1.00 0.00 S ATOM 0 H CYS A 45 13.764 1.216 20.258 1.00 0.00 H new ATOM 0 HA CYS A 45 13.671 2.913 17.957 1.00 0.00 H new ATOM 0 HB2 CYS A 45 16.077 2.923 18.160 1.00 0.00 H new ATOM 0 HB3 CYS A 45 15.372 3.082 19.756 1.00 0.00 H new ATOM 0 HG CYS A 45 16.385 0.873 20.787 1.00 0.00 H new ATOM 671 N CYS A 46 14.467 1.474 16.030 1.00 0.00 N ATOM 672 CA CYS A 46 14.658 0.606 14.881 1.00 0.00 C ATOM 673 C CYS A 46 16.019 -0.084 14.933 1.00 0.00 C ATOM 674 O CYS A 46 16.761 0.036 15.913 1.00 0.00 O ATOM 675 CB CYS A 46 14.531 1.419 13.594 1.00 0.00 C ATOM 676 SG CYS A 46 15.682 2.807 13.487 1.00 0.00 S ATOM 0 H CYS A 46 14.462 2.470 15.808 1.00 0.00 H new ATOM 0 HA CYS A 46 13.888 -0.165 14.901 1.00 0.00 H new ATOM 0 HB2 CYS A 46 14.693 0.759 12.742 1.00 0.00 H new ATOM 0 HB3 CYS A 46 13.512 1.798 13.515 1.00 0.00 H new ATOM 0 HG CYS A 46 16.191 2.858 12.292 1.00 0.00 H new ATOM 682 N ASP A 47 16.348 -0.789 13.863 1.00 0.00 N ATOM 683 CA ASP A 47 17.594 -1.536 13.780 1.00 0.00 C ATOM 684 C ASP A 47 18.754 -0.629 13.376 1.00 0.00 C ATOM 685 O ASP A 47 19.881 -1.088 13.205 1.00 0.00 O ATOM 686 CB ASP A 47 17.451 -2.688 12.783 1.00 0.00 C ATOM 687 CG ASP A 47 17.130 -2.214 11.379 1.00 0.00 C ATOM 688 OD1 ASP A 47 16.056 -1.596 11.185 1.00 0.00 O ATOM 689 OD2 ASP A 47 17.936 -2.476 10.462 1.00 0.00 O ATOM 0 H ASP A 47 15.763 -0.860 13.031 1.00 0.00 H new ATOM 0 HA ASP A 47 17.812 -1.943 14.767 1.00 0.00 H new ATOM 0 HB2 ASP A 47 18.377 -3.263 12.765 1.00 0.00 H new ATOM 0 HB3 ASP A 47 16.664 -3.361 13.123 1.00 0.00 H new ATOM 694 N ASP A 48 18.469 0.660 13.228 1.00 0.00 N ATOM 695 CA ASP A 48 19.503 1.642 12.917 1.00 0.00 C ATOM 696 C ASP A 48 20.278 2.007 14.175 1.00 0.00 C ATOM 697 O ASP A 48 21.485 2.249 14.128 1.00 0.00 O ATOM 698 CB ASP A 48 18.894 2.907 12.307 1.00 0.00 C ATOM 699 CG ASP A 48 18.231 2.660 10.969 1.00 0.00 C ATOM 700 OD1 ASP A 48 18.928 2.727 9.935 1.00 0.00 O ATOM 701 OD2 ASP A 48 17.007 2.412 10.948 1.00 0.00 O ATOM 0 H ASP A 48 17.531 1.050 13.318 1.00 0.00 H new ATOM 0 HA ASP A 48 20.181 1.196 12.189 1.00 0.00 H new ATOM 0 HB2 ASP A 48 18.160 3.320 12.999 1.00 0.00 H new ATOM 0 HB3 ASP A 48 19.675 3.657 12.186 1.00 0.00 H new ATOM 706 N SER A 49 19.574 2.046 15.298 1.00 0.00 N ATOM 707 CA SER A 49 20.190 2.341 16.579 1.00 0.00 C ATOM 708 C SER A 49 20.829 1.083 17.160 1.00 0.00 C ATOM 709 O SER A 49 20.314 -0.017 16.972 1.00 0.00 O ATOM 710 CB SER A 49 19.146 2.906 17.545 1.00 0.00 C ATOM 711 OG SER A 49 18.627 4.136 17.069 1.00 0.00 O ATOM 0 H SER A 49 18.569 1.875 15.345 1.00 0.00 H new ATOM 0 HA SER A 49 20.970 3.088 16.432 1.00 0.00 H new ATOM 0 HB2 SER A 49 18.335 2.189 17.670 1.00 0.00 H new ATOM 0 HB3 SER A 49 19.596 3.053 18.527 1.00 0.00 H new ATOM 0 HG SER A 49 17.702 4.241 17.376 1.00 0.00 H new ATOM 717 N PRO A 50 21.956 1.244 17.877 1.00 0.00 N ATOM 718 CA PRO A 50 22.727 0.128 18.451 1.00 0.00 C ATOM 719 C PRO A 50 21.872 -0.881 19.221 1.00 0.00 C ATOM 720 O PRO A 50 22.136 -2.083 19.183 1.00 0.00 O ATOM 721 CB PRO A 50 23.694 0.826 19.407 1.00 0.00 C ATOM 722 CG PRO A 50 23.880 2.188 18.836 1.00 0.00 C ATOM 723 CD PRO A 50 22.579 2.549 18.172 1.00 0.00 C ATOM 0 HA PRO A 50 23.204 -0.461 17.667 1.00 0.00 H new ATOM 0 HB2 PRO A 50 23.286 0.873 20.417 1.00 0.00 H new ATOM 0 HB3 PRO A 50 24.642 0.291 19.471 1.00 0.00 H new ATOM 0 HG2 PRO A 50 24.130 2.906 19.617 1.00 0.00 H new ATOM 0 HG3 PRO A 50 24.700 2.200 18.118 1.00 0.00 H new ATOM 0 HD2 PRO A 50 21.951 3.153 18.827 1.00 0.00 H new ATOM 0 HD3 PRO A 50 22.742 3.128 17.263 1.00 0.00 H new ATOM 731 N HIS A 51 20.854 -0.388 19.920 1.00 0.00 N ATOM 732 CA HIS A 51 19.994 -1.249 20.730 1.00 0.00 C ATOM 733 C HIS A 51 19.178 -2.217 19.873 1.00 0.00 C ATOM 734 O HIS A 51 19.060 -3.393 20.212 1.00 0.00 O ATOM 735 CB HIS A 51 19.057 -0.415 21.608 1.00 0.00 C ATOM 736 CG HIS A 51 19.690 0.072 22.875 1.00 0.00 C ATOM 737 ND1 HIS A 51 19.604 1.378 23.308 1.00 0.00 N ATOM 738 CD2 HIS A 51 20.386 -0.591 23.828 1.00 0.00 C ATOM 739 CE1 HIS A 51 20.215 1.493 24.473 1.00 0.00 C ATOM 740 NE2 HIS A 51 20.700 0.314 24.810 1.00 0.00 N ATOM 0 H HIS A 51 20.604 0.601 19.943 1.00 0.00 H new ATOM 0 HA HIS A 51 20.651 -1.839 21.368 1.00 0.00 H new ATOM 0 HB2 HIS A 51 18.706 0.443 21.035 1.00 0.00 H new ATOM 0 HB3 HIS A 51 18.180 -1.013 21.857 1.00 0.00 H new ATOM 0 HD1 HIS A 51 19.141 2.136 22.807 1.00 0.00 H new ATOM 0 HD2 HIS A 51 20.646 -1.639 23.817 1.00 0.00 H new ATOM 0 HE1 HIS A 51 20.303 2.400 25.052 1.00 0.00 H new ATOM 749 N LYS A 52 18.625 -1.717 18.763 1.00 0.00 N ATOM 750 CA LYS A 52 17.765 -2.520 17.882 1.00 0.00 C ATOM 751 C LYS A 52 16.647 -3.206 18.674 1.00 0.00 C ATOM 752 O LYS A 52 16.285 -4.350 18.398 1.00 0.00 O ATOM 753 CB LYS A 52 18.591 -3.578 17.138 1.00 0.00 C ATOM 754 CG LYS A 52 19.715 -3.002 16.294 1.00 0.00 C ATOM 755 CD LYS A 52 20.364 -4.070 15.431 1.00 0.00 C ATOM 756 CE LYS A 52 21.501 -3.501 14.600 1.00 0.00 C ATOM 757 NZ LYS A 52 22.037 -4.501 13.641 1.00 0.00 N ATOM 0 H LYS A 52 18.758 -0.755 18.451 1.00 0.00 H new ATOM 0 HA LYS A 52 17.313 -1.842 17.158 1.00 0.00 H new ATOM 0 HB2 LYS A 52 19.015 -4.271 17.865 1.00 0.00 H new ATOM 0 HB3 LYS A 52 17.927 -4.157 16.495 1.00 0.00 H new ATOM 0 HG2 LYS A 52 19.324 -2.207 15.659 1.00 0.00 H new ATOM 0 HG3 LYS A 52 20.465 -2.551 16.944 1.00 0.00 H new ATOM 0 HD2 LYS A 52 20.742 -4.872 16.066 1.00 0.00 H new ATOM 0 HD3 LYS A 52 19.616 -4.511 14.772 1.00 0.00 H new ATOM 0 HE2 LYS A 52 21.149 -2.626 14.054 1.00 0.00 H new ATOM 0 HE3 LYS A 52 22.301 -3.165 15.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 22.811 -4.075 13.092 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 22.396 -5.326 14.164 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 21.280 -4.803 12.995 1.00 0.00 H new ATOM 771 N HIS A 53 16.076 -2.486 19.635 1.00 0.00 N ATOM 772 CA HIS A 53 15.109 -3.071 20.563 1.00 0.00 C ATOM 773 C HIS A 53 13.841 -3.530 19.842 1.00 0.00 C ATOM 774 O HIS A 53 13.126 -4.403 20.332 1.00 0.00 O ATOM 775 CB HIS A 53 14.754 -2.066 21.662 1.00 0.00 C ATOM 776 CG HIS A 53 14.270 -2.701 22.935 1.00 0.00 C ATOM 777 ND1 HIS A 53 13.013 -2.486 23.462 1.00 0.00 N ATOM 778 CD2 HIS A 53 14.905 -3.516 23.811 1.00 0.00 C ATOM 779 CE1 HIS A 53 12.903 -3.137 24.607 1.00 0.00 C ATOM 780 NE2 HIS A 53 14.036 -3.769 24.841 1.00 0.00 N ATOM 0 H HIS A 53 16.265 -1.496 19.793 1.00 0.00 H new ATOM 0 HA HIS A 53 15.573 -3.948 21.013 1.00 0.00 H new ATOM 0 HB2 HIS A 53 15.631 -1.458 21.882 1.00 0.00 H new ATOM 0 HB3 HIS A 53 13.984 -1.391 21.289 1.00 0.00 H new ATOM 0 HD2 HIS A 53 15.911 -3.897 23.716 1.00 0.00 H new ATOM 0 HE1 HIS A 53 12.031 -3.149 25.244 1.00 0.00 H new ATOM 0 HE2 HIS A 53 14.234 -4.351 25.655 1.00 0.00 H new ATOM 789 N ALA A 54 13.569 -2.948 18.679 1.00 0.00 N ATOM 790 CA ALA A 54 12.380 -3.301 17.909 1.00 0.00 C ATOM 791 C ALA A 54 12.527 -4.668 17.247 1.00 0.00 C ATOM 792 O ALA A 54 11.588 -5.467 17.246 1.00 0.00 O ATOM 793 CB ALA A 54 12.088 -2.240 16.860 1.00 0.00 C ATOM 0 H ALA A 54 14.154 -2.231 18.249 1.00 0.00 H new ATOM 0 HA ALA A 54 11.542 -3.352 18.604 1.00 0.00 H new ATOM 0 HB1 ALA A 54 11.198 -2.521 16.296 1.00 0.00 H new ATOM 0 HB2 ALA A 54 11.920 -1.281 17.350 1.00 0.00 H new ATOM 0 HB3 ALA A 54 12.936 -2.157 16.181 1.00 0.00 H new ATOM 799 N THR A 55 13.701 -4.942 16.692 1.00 0.00 N ATOM 800 CA THR A 55 13.934 -6.205 16.007 1.00 0.00 C ATOM 801 C THR A 55 14.081 -7.339 17.013 1.00 0.00 C ATOM 802 O THR A 55 13.547 -8.433 16.817 1.00 0.00 O ATOM 803 CB THR A 55 15.181 -6.141 15.101 1.00 0.00 C ATOM 804 OG1 THR A 55 16.316 -5.692 15.850 1.00 0.00 O ATOM 805 CG2 THR A 55 14.947 -5.209 13.922 1.00 0.00 C ATOM 0 H THR A 55 14.502 -4.310 16.703 1.00 0.00 H new ATOM 0 HA THR A 55 13.067 -6.397 15.374 1.00 0.00 H new ATOM 0 HB THR A 55 15.373 -7.144 14.721 1.00 0.00 H new ATOM 0 HG1 THR A 55 16.024 -5.384 16.733 1.00 0.00 H new ATOM 0 HG21 THR A 55 15.840 -5.180 13.298 1.00 0.00 H new ATOM 0 HG22 THR A 55 14.104 -5.572 13.333 1.00 0.00 H new ATOM 0 HG23 THR A 55 14.729 -4.206 14.289 1.00 0.00 H new ATOM 813 N ARG A 56 14.782 -7.062 18.110 1.00 0.00 N ATOM 814 CA ARG A 56 14.960 -8.049 19.167 1.00 0.00 C ATOM 815 C ARG A 56 13.620 -8.351 19.826 1.00 0.00 C ATOM 816 O ARG A 56 13.408 -9.435 20.369 1.00 0.00 O ATOM 817 CB ARG A 56 15.964 -7.558 20.213 1.00 0.00 C ATOM 818 CG ARG A 56 17.288 -7.099 19.621 1.00 0.00 C ATOM 819 CD ARG A 56 18.392 -7.088 20.663 1.00 0.00 C ATOM 820 NE ARG A 56 18.755 -8.444 21.075 1.00 0.00 N ATOM 821 CZ ARG A 56 19.658 -8.731 22.013 1.00 0.00 C ATOM 822 NH1 ARG A 56 20.289 -7.757 22.659 1.00 0.00 N ATOM 823 NH2 ARG A 56 19.924 -9.998 22.304 1.00 0.00 N ATOM 0 H ARG A 56 15.234 -6.165 18.288 1.00 0.00 H new ATOM 0 HA ARG A 56 15.355 -8.962 18.721 1.00 0.00 H new ATOM 0 HB2 ARG A 56 15.520 -6.733 20.771 1.00 0.00 H new ATOM 0 HB3 ARG A 56 16.154 -8.360 20.926 1.00 0.00 H new ATOM 0 HG2 ARG A 56 17.568 -7.759 18.800 1.00 0.00 H new ATOM 0 HG3 ARG A 56 17.173 -6.100 19.202 1.00 0.00 H new ATOM 0 HD2 ARG A 56 19.269 -6.582 20.260 1.00 0.00 H new ATOM 0 HD3 ARG A 56 18.067 -6.517 21.533 1.00 0.00 H new ATOM 0 HE ARG A 56 18.285 -9.223 20.613 1.00 0.00 H new ATOM 0 HH11 ARG A 56 20.084 -6.782 22.439 1.00 0.00 H new ATOM 0 HH12 ARG A 56 20.979 -7.984 23.376 1.00 0.00 H new ATOM 0 HH21 ARG A 56 19.438 -10.747 21.811 1.00 0.00 H new ATOM 0 HH22 ARG A 56 20.614 -10.223 23.021 1.00 0.00 H new ATOM 837 N HIS A 57 12.711 -7.385 19.748 1.00 0.00 N ATOM 838 CA HIS A 57 11.366 -7.539 20.284 1.00 0.00 C ATOM 839 C HIS A 57 10.634 -8.676 19.579 1.00 0.00 C ATOM 840 O HIS A 57 9.937 -9.468 20.216 1.00 0.00 O ATOM 841 CB HIS A 57 10.586 -6.231 20.126 1.00 0.00 C ATOM 842 CG HIS A 57 9.180 -6.304 20.625 1.00 0.00 C ATOM 843 ND1 HIS A 57 8.808 -6.060 21.928 1.00 0.00 N ATOM 844 CD2 HIS A 57 8.043 -6.615 19.961 1.00 0.00 C ATOM 845 CE1 HIS A 57 7.484 -6.230 22.012 1.00 0.00 C ATOM 846 NE2 HIS A 57 6.972 -6.568 20.842 1.00 0.00 N ATOM 0 H HIS A 57 12.885 -6.479 19.314 1.00 0.00 H new ATOM 0 HA HIS A 57 11.441 -7.782 21.344 1.00 0.00 H new ATOM 0 HB2 HIS A 57 11.111 -5.439 20.660 1.00 0.00 H new ATOM 0 HB3 HIS A 57 10.574 -5.951 19.073 1.00 0.00 H new ATOM 0 HD1 HIS A 57 9.430 -5.797 22.692 1.00 0.00 H new ATOM 0 HD2 HIS A 57 7.979 -6.861 18.911 1.00 0.00 H new ATOM 0 HE1 HIS A 57 6.909 -6.107 22.918 1.00 0.00 H new ATOM 854 N PHE A 58 10.796 -8.752 18.264 1.00 0.00 N ATOM 855 CA PHE A 58 10.177 -9.811 17.476 1.00 0.00 C ATOM 856 C PHE A 58 10.755 -11.164 17.864 1.00 0.00 C ATOM 857 O PHE A 58 10.044 -12.165 17.914 1.00 0.00 O ATOM 858 CB PHE A 58 10.382 -9.554 15.981 1.00 0.00 C ATOM 859 CG PHE A 58 10.006 -10.718 15.104 1.00 0.00 C ATOM 860 CD1 PHE A 58 8.727 -11.247 15.135 1.00 0.00 C ATOM 861 CD2 PHE A 58 10.935 -11.279 14.247 1.00 0.00 C ATOM 862 CE1 PHE A 58 8.382 -12.313 14.329 1.00 0.00 C ATOM 863 CE2 PHE A 58 10.597 -12.345 13.437 1.00 0.00 C ATOM 864 CZ PHE A 58 9.318 -12.863 13.479 1.00 0.00 C ATOM 0 H PHE A 58 11.352 -8.092 17.720 1.00 0.00 H new ATOM 0 HA PHE A 58 9.107 -9.817 17.683 1.00 0.00 H new ATOM 0 HB2 PHE A 58 9.792 -8.686 15.688 1.00 0.00 H new ATOM 0 HB3 PHE A 58 11.428 -9.303 15.806 1.00 0.00 H new ATOM 0 HD1 PHE A 58 7.990 -10.820 15.799 1.00 0.00 H new ATOM 0 HD2 PHE A 58 11.937 -10.878 14.211 1.00 0.00 H new ATOM 0 HE1 PHE A 58 7.380 -12.716 14.364 1.00 0.00 H new ATOM 0 HE2 PHE A 58 11.332 -12.773 12.772 1.00 0.00 H new ATOM 0 HZ PHE A 58 9.051 -13.697 12.847 1.00 0.00 H new ATOM 874 N HIS A 59 12.043 -11.175 18.157 1.00 0.00 N ATOM 875 CA HIS A 59 12.730 -12.396 18.551 1.00 0.00 C ATOM 876 C HIS A 59 12.231 -12.882 19.913 1.00 0.00 C ATOM 877 O HIS A 59 12.263 -14.077 20.209 1.00 0.00 O ATOM 878 CB HIS A 59 14.243 -12.150 18.582 1.00 0.00 C ATOM 879 CG HIS A 59 15.059 -13.377 18.843 1.00 0.00 C ATOM 880 ND1 HIS A 59 15.082 -14.458 17.991 1.00 0.00 N ATOM 881 CD2 HIS A 59 15.892 -13.686 19.863 1.00 0.00 C ATOM 882 CE1 HIS A 59 15.893 -15.378 18.477 1.00 0.00 C ATOM 883 NE2 HIS A 59 16.399 -14.934 19.611 1.00 0.00 N ATOM 0 H HIS A 59 12.639 -10.348 18.130 1.00 0.00 H new ATOM 0 HA HIS A 59 12.514 -13.175 17.820 1.00 0.00 H new ATOM 0 HB2 HIS A 59 14.549 -11.720 17.629 1.00 0.00 H new ATOM 0 HB3 HIS A 59 14.464 -11.410 19.351 1.00 0.00 H new ATOM 0 HD2 HIS A 59 16.116 -13.065 20.717 1.00 0.00 H new ATOM 0 HE1 HIS A 59 16.107 -16.334 18.023 1.00 0.00 H new ATOM 0 HE2 HIS A 59 17.060 -15.437 20.203 1.00 0.00 H new ATOM 892 N ALA A 60 11.762 -11.951 20.733 1.00 0.00 N ATOM 893 CA ALA A 60 11.281 -12.279 22.067 1.00 0.00 C ATOM 894 C ALA A 60 9.783 -12.589 22.074 1.00 0.00 C ATOM 895 O ALA A 60 9.372 -13.680 22.464 1.00 0.00 O ATOM 896 CB ALA A 60 11.590 -11.141 23.028 1.00 0.00 C ATOM 0 H ALA A 60 11.705 -10.960 20.496 1.00 0.00 H new ATOM 0 HA ALA A 60 11.801 -13.179 22.394 1.00 0.00 H new ATOM 0 HB1 ALA A 60 11.226 -11.396 24.023 1.00 0.00 H new ATOM 0 HB2 ALA A 60 12.667 -10.979 23.066 1.00 0.00 H new ATOM 0 HB3 ALA A 60 11.098 -10.231 22.684 1.00 0.00 H new ATOM 902 N THR A 61 8.972 -11.635 21.629 1.00 0.00 N ATOM 903 CA THR A 61 7.517 -11.764 21.719 1.00 0.00 C ATOM 904 C THR A 61 6.928 -12.557 20.554 1.00 0.00 C ATOM 905 O THR A 61 5.883 -13.189 20.694 1.00 0.00 O ATOM 906 CB THR A 61 6.828 -10.385 21.768 1.00 0.00 C ATOM 907 OG1 THR A 61 7.282 -9.572 20.678 1.00 0.00 O ATOM 908 CG2 THR A 61 7.098 -9.674 23.085 1.00 0.00 C ATOM 0 H THR A 61 9.293 -10.766 21.203 1.00 0.00 H new ATOM 0 HA THR A 61 7.328 -12.306 22.646 1.00 0.00 H new ATOM 0 HB THR A 61 5.753 -10.546 21.684 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.238 -9.385 20.786 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.598 -8.706 23.085 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.719 -10.278 23.909 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.171 -9.528 23.206 1.00 0.00 H new ATOM 916 N GLY A 62 7.596 -12.524 19.408 1.00 0.00 N ATOM 917 CA GLY A 62 7.053 -13.163 18.223 1.00 0.00 C ATOM 918 C GLY A 62 6.011 -12.296 17.541 1.00 0.00 C ATOM 919 O GLY A 62 4.987 -12.789 17.066 1.00 0.00 O ATOM 0 H GLY A 62 8.499 -12.069 19.277 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.861 -13.378 17.524 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.607 -14.119 18.498 1.00 0.00 H new ATOM 923 N HIS A 63 6.273 -10.994 17.500 1.00 0.00 N ATOM 924 CA HIS A 63 5.355 -10.039 16.886 1.00 0.00 C ATOM 925 C HIS A 63 5.976 -9.492 15.600 1.00 0.00 C ATOM 926 O HIS A 63 6.858 -8.635 15.647 1.00 0.00 O ATOM 927 CB HIS A 63 5.036 -8.889 17.853 1.00 0.00 C ATOM 928 CG HIS A 63 4.325 -9.303 19.115 1.00 0.00 C ATOM 929 ND1 HIS A 63 4.103 -8.405 20.130 1.00 0.00 N ATOM 930 CD2 HIS A 63 3.802 -10.503 19.471 1.00 0.00 C ATOM 931 CE1 HIS A 63 3.458 -9.062 21.070 1.00 0.00 C ATOM 932 NE2 HIS A 63 3.251 -10.342 20.719 1.00 0.00 N ATOM 0 H HIS A 63 7.118 -10.573 17.887 1.00 0.00 H new ATOM 0 HA HIS A 63 4.421 -10.550 16.650 1.00 0.00 H new ATOM 0 HB2 HIS A 63 5.967 -8.392 18.124 1.00 0.00 H new ATOM 0 HB3 HIS A 63 4.423 -8.154 17.332 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.816 -11.411 18.886 1.00 0.00 H new ATOM 0 HE1 HIS A 63 3.136 -8.627 22.005 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.777 -11.056 21.272 1.00 0.00 H new ATOM 940 N PRO A 64 5.526 -9.992 14.439 1.00 0.00 N ATOM 941 CA PRO A 64 6.203 -9.771 13.155 1.00 0.00 C ATOM 942 C PRO A 64 5.819 -8.483 12.417 1.00 0.00 C ATOM 943 O PRO A 64 6.308 -8.248 11.310 1.00 0.00 O ATOM 944 CB PRO A 64 5.749 -10.983 12.347 1.00 0.00 C ATOM 945 CG PRO A 64 4.367 -11.262 12.834 1.00 0.00 C ATOM 946 CD PRO A 64 4.328 -10.840 14.284 1.00 0.00 C ATOM 0 HA PRO A 64 7.277 -9.659 13.300 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.758 -10.773 11.278 1.00 0.00 H new ATOM 0 HB3 PRO A 64 6.407 -11.837 12.509 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.631 -10.710 12.250 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.126 -12.320 12.732 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.416 -10.290 14.516 1.00 0.00 H new ATOM 0 HD3 PRO A 64 4.359 -11.701 14.952 1.00 0.00 H new ATOM 954 N ILE A 65 4.962 -7.652 12.999 1.00 0.00 N ATOM 955 CA ILE A 65 4.507 -6.450 12.299 1.00 0.00 C ATOM 956 C ILE A 65 4.681 -5.187 13.141 1.00 0.00 C ATOM 957 O ILE A 65 4.278 -5.132 14.309 1.00 0.00 O ATOM 958 CB ILE A 65 3.035 -6.574 11.839 1.00 0.00 C ATOM 959 CG1 ILE A 65 2.894 -7.718 10.829 1.00 0.00 C ATOM 960 CG2 ILE A 65 2.549 -5.262 11.234 1.00 0.00 C ATOM 961 CD1 ILE A 65 1.491 -7.893 10.288 1.00 0.00 C ATOM 0 H ILE A 65 4.573 -7.781 13.933 1.00 0.00 H new ATOM 0 HA ILE A 65 5.141 -6.360 11.417 1.00 0.00 H new ATOM 0 HB ILE A 65 2.416 -6.797 12.708 1.00 0.00 H new ATOM 0 HG12 ILE A 65 3.574 -7.539 9.996 1.00 0.00 H new ATOM 0 HG13 ILE A 65 3.208 -8.648 11.303 1.00 0.00 H new ATOM 0 HG21 ILE A 65 1.512 -5.370 10.917 1.00 0.00 H new ATOM 0 HG22 ILE A 65 2.620 -4.469 11.979 1.00 0.00 H new ATOM 0 HG23 ILE A 65 3.167 -5.007 10.373 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.475 -8.722 9.580 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.808 -8.105 11.110 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.179 -6.979 9.783 1.00 0.00 H new ATOM 973 N ILE A 66 5.285 -4.175 12.524 1.00 0.00 N ATOM 974 CA ILE A 66 5.522 -2.888 13.167 1.00 0.00 C ATOM 975 C ILE A 66 5.182 -1.741 12.218 1.00 0.00 C ATOM 976 O ILE A 66 5.214 -1.910 11.001 1.00 0.00 O ATOM 977 CB ILE A 66 6.999 -2.739 13.594 1.00 0.00 C ATOM 978 CG1 ILE A 66 7.917 -2.944 12.381 1.00 0.00 C ATOM 979 CG2 ILE A 66 7.338 -3.723 14.703 1.00 0.00 C ATOM 980 CD1 ILE A 66 9.381 -2.705 12.667 1.00 0.00 C ATOM 0 H ILE A 66 5.624 -4.225 11.563 1.00 0.00 H new ATOM 0 HA ILE A 66 4.882 -2.849 14.048 1.00 0.00 H new ATOM 0 HB ILE A 66 7.154 -1.732 13.981 1.00 0.00 H new ATOM 0 HG12 ILE A 66 7.792 -3.962 12.012 1.00 0.00 H new ATOM 0 HG13 ILE A 66 7.600 -2.274 11.582 1.00 0.00 H new ATOM 0 HG21 ILE A 66 8.383 -3.602 14.990 1.00 0.00 H new ATOM 0 HG22 ILE A 66 6.700 -3.532 15.566 1.00 0.00 H new ATOM 0 HG23 ILE A 66 7.174 -4.741 14.349 1.00 0.00 H new ATOM 0 HD11 ILE A 66 9.961 -2.871 11.759 1.00 0.00 H new ATOM 0 HD12 ILE A 66 9.523 -1.679 13.006 1.00 0.00 H new ATOM 0 HD13 ILE A 66 9.717 -3.393 13.443 1.00 0.00 H new ATOM 992 N GLU A 67 4.848 -0.587 12.777 1.00 0.00 N ATOM 993 CA GLU A 67 4.681 0.627 11.988 1.00 0.00 C ATOM 994 C GLU A 67 5.835 1.581 12.244 1.00 0.00 C ATOM 995 O GLU A 67 6.601 1.410 13.199 1.00 0.00 O ATOM 996 CB GLU A 67 3.378 1.354 12.325 1.00 0.00 C ATOM 997 CG GLU A 67 2.139 0.775 11.676 1.00 0.00 C ATOM 998 CD GLU A 67 0.938 1.684 11.848 1.00 0.00 C ATOM 999 OE1 GLU A 67 0.287 1.620 12.914 1.00 0.00 O ATOM 1000 OE2 GLU A 67 0.647 2.472 10.927 1.00 0.00 O ATOM 0 H GLU A 67 4.687 -0.465 13.777 1.00 0.00 H new ATOM 0 HA GLU A 67 4.656 0.323 10.942 1.00 0.00 H new ATOM 0 HB2 GLU A 67 3.242 1.344 13.406 1.00 0.00 H new ATOM 0 HB3 GLU A 67 3.473 2.398 12.026 1.00 0.00 H new ATOM 0 HG2 GLU A 67 2.325 0.616 10.614 1.00 0.00 H new ATOM 0 HG3 GLU A 67 1.922 -0.200 12.112 1.00 0.00 H new ATOM 1007 N GLY A 68 5.948 2.588 11.397 1.00 0.00 N ATOM 1008 CA GLY A 68 6.902 3.643 11.634 1.00 0.00 C ATOM 1009 C GLY A 68 6.320 4.702 12.544 1.00 0.00 C ATOM 1010 O GLY A 68 5.537 5.537 12.105 1.00 0.00 O ATOM 0 H GLY A 68 5.394 2.693 10.547 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.805 3.228 12.083 1.00 0.00 H new ATOM 0 HA3 GLY A 68 7.195 4.094 10.686 1.00 0.00 H new ATOM 1014 N TYR A 69 6.692 4.658 13.815 1.00 0.00 N ATOM 1015 CA TYR A 69 6.149 5.589 14.797 1.00 0.00 C ATOM 1016 C TYR A 69 6.892 6.918 14.727 1.00 0.00 C ATOM 1017 O TYR A 69 6.377 7.956 15.142 1.00 0.00 O ATOM 1018 CB TYR A 69 6.238 4.985 16.203 1.00 0.00 C ATOM 1019 CG TYR A 69 5.463 5.751 17.255 1.00 0.00 C ATOM 1020 CD1 TYR A 69 4.112 6.033 17.087 1.00 0.00 C ATOM 1021 CD2 TYR A 69 6.084 6.191 18.414 1.00 0.00 C ATOM 1022 CE1 TYR A 69 3.405 6.733 18.047 1.00 0.00 C ATOM 1023 CE2 TYR A 69 5.383 6.889 19.378 1.00 0.00 C ATOM 1024 CZ TYR A 69 4.045 7.158 19.191 1.00 0.00 C ATOM 1025 OH TYR A 69 3.351 7.863 20.152 1.00 0.00 O ATOM 0 H TYR A 69 7.365 3.990 14.191 1.00 0.00 H new ATOM 0 HA TYR A 69 5.099 5.773 14.571 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.870 3.960 16.170 1.00 0.00 H new ATOM 0 HB3 TYR A 69 7.285 4.938 16.501 1.00 0.00 H new ATOM 0 HD1 TYR A 69 3.607 5.700 16.192 1.00 0.00 H new ATOM 0 HD2 TYR A 69 7.133 5.985 18.566 1.00 0.00 H new ATOM 0 HE1 TYR A 69 2.356 6.946 17.901 1.00 0.00 H new ATOM 0 HE2 TYR A 69 5.882 7.223 20.276 1.00 0.00 H new ATOM 0 HH TYR A 69 3.952 8.084 20.893 1.00 0.00 H new ATOM 1035 N ASP A 70 8.106 6.872 14.194 1.00 0.00 N ATOM 1036 CA ASP A 70 8.891 8.082 13.969 1.00 0.00 C ATOM 1037 C ASP A 70 8.382 8.840 12.735 1.00 0.00 C ATOM 1038 O ASP A 70 8.069 10.024 12.834 1.00 0.00 O ATOM 1039 CB ASP A 70 10.387 7.747 13.858 1.00 0.00 C ATOM 1040 CG ASP A 70 11.202 8.848 13.203 1.00 0.00 C ATOM 1041 OD1 ASP A 70 11.306 9.945 13.781 1.00 0.00 O ATOM 1042 OD2 ASP A 70 11.763 8.600 12.112 1.00 0.00 O ATOM 0 H ASP A 70 8.570 6.010 13.909 1.00 0.00 H new ATOM 0 HA ASP A 70 8.767 8.741 14.829 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.784 7.555 14.855 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.505 6.827 13.285 1.00 0.00 H new ATOM 1047 N PRO A 71 8.284 8.190 11.551 1.00 0.00 N ATOM 1048 CA PRO A 71 7.661 8.796 10.386 1.00 0.00 C ATOM 1049 C PRO A 71 6.187 8.396 10.247 1.00 0.00 C ATOM 1050 O PRO A 71 5.874 7.291 9.795 1.00 0.00 O ATOM 1051 CB PRO A 71 8.490 8.224 9.239 1.00 0.00 C ATOM 1052 CG PRO A 71 8.937 6.874 9.713 1.00 0.00 C ATOM 1053 CD PRO A 71 8.799 6.851 11.221 1.00 0.00 C ATOM 0 HA PRO A 71 7.650 9.885 10.428 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.899 8.145 8.327 1.00 0.00 H new ATOM 0 HB3 PRO A 71 9.343 8.864 9.012 1.00 0.00 H new ATOM 0 HG2 PRO A 71 8.331 6.089 9.261 1.00 0.00 H new ATOM 0 HG3 PRO A 71 9.970 6.688 9.420 1.00 0.00 H new ATOM 0 HD2 PRO A 71 8.114 6.068 11.547 1.00 0.00 H new ATOM 0 HD3 PRO A 71 9.756 6.660 11.707 1.00 0.00 H new ATOM 1061 N PRO A 72 5.263 9.293 10.635 1.00 0.00 N ATOM 1062 CA PRO A 72 3.816 9.026 10.621 1.00 0.00 C ATOM 1063 C PRO A 72 3.235 9.040 9.209 1.00 0.00 C ATOM 1064 O PRO A 72 2.224 9.691 8.942 1.00 0.00 O ATOM 1065 CB PRO A 72 3.225 10.179 11.450 1.00 0.00 C ATOM 1066 CG PRO A 72 4.394 10.892 12.048 1.00 0.00 C ATOM 1067 CD PRO A 72 5.546 10.643 11.123 1.00 0.00 C ATOM 0 HA PRO A 72 3.586 8.037 11.017 1.00 0.00 H new ATOM 0 HB2 PRO A 72 2.637 10.850 10.823 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.559 9.801 12.226 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.193 11.959 12.143 1.00 0.00 H new ATOM 0 HG3 PRO A 72 4.609 10.518 13.049 1.00 0.00 H new ATOM 0 HD2 PRO A 72 5.582 11.370 10.312 1.00 0.00 H new ATOM 0 HD3 PRO A 72 6.503 10.696 11.641 1.00 0.00 H new ATOM 1075 N GLU A 73 3.871 8.302 8.316 1.00 0.00 N ATOM 1076 CA GLU A 73 3.463 8.253 6.922 1.00 0.00 C ATOM 1077 C GLU A 73 2.384 7.195 6.721 1.00 0.00 C ATOM 1078 O GLU A 73 1.595 7.265 5.778 1.00 0.00 O ATOM 1079 CB GLU A 73 4.676 7.950 6.047 1.00 0.00 C ATOM 1080 CG GLU A 73 5.868 8.837 6.360 1.00 0.00 C ATOM 1081 CD GLU A 73 7.090 8.486 5.545 1.00 0.00 C ATOM 1082 OE1 GLU A 73 7.637 7.378 5.728 1.00 0.00 O ATOM 1083 OE2 GLU A 73 7.516 9.323 4.721 1.00 0.00 O ATOM 0 H GLU A 73 4.681 7.722 8.535 1.00 0.00 H new ATOM 0 HA GLU A 73 3.049 9.220 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.962 6.906 6.180 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.402 8.075 4.999 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.600 9.877 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.108 8.754 7.420 1.00 0.00 H new ATOM 1090 N GLY A 74 2.355 6.222 7.622 1.00 0.00 N ATOM 1091 CA GLY A 74 1.360 5.173 7.552 1.00 0.00 C ATOM 1092 C GLY A 74 1.821 3.992 6.724 1.00 0.00 C ATOM 1093 O GLY A 74 1.398 3.823 5.580 1.00 0.00 O ATOM 0 H GLY A 74 3.006 6.142 8.403 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.121 4.835 8.560 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.441 5.576 7.125 1.00 0.00 H new ATOM 1097 N TRP A 75 2.692 3.178 7.299 1.00 0.00 N ATOM 1098 CA TRP A 75 3.190 1.989 6.626 1.00 0.00 C ATOM 1099 C TRP A 75 3.574 0.926 7.642 1.00 0.00 C ATOM 1100 O TRP A 75 4.049 1.242 8.736 1.00 0.00 O ATOM 1101 CB TRP A 75 4.379 2.320 5.711 1.00 0.00 C ATOM 1102 CG TRP A 75 5.476 3.107 6.368 1.00 0.00 C ATOM 1103 CD1 TRP A 75 5.599 4.465 6.395 1.00 0.00 C ATOM 1104 CD2 TRP A 75 6.611 2.588 7.075 1.00 0.00 C ATOM 1105 NE1 TRP A 75 6.736 4.825 7.073 1.00 0.00 N ATOM 1106 CE2 TRP A 75 7.375 3.692 7.502 1.00 0.00 C ATOM 1107 CE3 TRP A 75 7.056 1.300 7.390 1.00 0.00 C ATOM 1108 CZ2 TRP A 75 8.555 3.544 8.226 1.00 0.00 C ATOM 1109 CZ3 TRP A 75 8.227 1.156 8.108 1.00 0.00 C ATOM 1110 CH2 TRP A 75 8.965 2.273 8.520 1.00 0.00 C ATOM 0 H TRP A 75 3.070 3.320 8.235 1.00 0.00 H new ATOM 0 HA TRP A 75 2.389 1.598 5.999 1.00 0.00 H new ATOM 0 HB2 TRP A 75 4.797 1.388 5.330 1.00 0.00 H new ATOM 0 HB3 TRP A 75 4.013 2.881 4.851 1.00 0.00 H new ATOM 0 HD1 TRP A 75 4.902 5.157 5.947 1.00 0.00 H new ATOM 0 HE1 TRP A 75 7.054 5.781 7.232 1.00 0.00 H new ATOM 0 HE3 TRP A 75 6.493 0.433 7.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 75 9.127 4.403 8.544 1.00 0.00 H new ATOM 0 HZ3 TRP A 75 8.580 0.166 8.356 1.00 0.00 H new ATOM 0 HH2 TRP A 75 9.876 2.127 9.081 1.00 0.00 H new ATOM 1121 N GLY A 76 3.354 -0.326 7.278 1.00 0.00 N ATOM 1122 CA GLY A 76 3.647 -1.423 8.170 1.00 0.00 C ATOM 1123 C GLY A 76 4.722 -2.333 7.623 1.00 0.00 C ATOM 1124 O GLY A 76 4.688 -2.719 6.451 1.00 0.00 O ATOM 0 H GLY A 76 2.974 -0.603 6.373 1.00 0.00 H new ATOM 0 HA2 GLY A 76 3.964 -1.029 9.136 1.00 0.00 H new ATOM 0 HA3 GLY A 76 2.739 -2.000 8.344 1.00 0.00 H new ATOM 1128 N TRP A 77 5.673 -2.678 8.471 1.00 0.00 N ATOM 1129 CA TRP A 77 6.775 -3.535 8.084 1.00 0.00 C ATOM 1130 C TRP A 77 6.608 -4.910 8.716 1.00 0.00 C ATOM 1131 O TRP A 77 6.327 -5.026 9.910 1.00 0.00 O ATOM 1132 CB TRP A 77 8.104 -2.899 8.507 1.00 0.00 C ATOM 1133 CG TRP A 77 9.313 -3.725 8.181 1.00 0.00 C ATOM 1134 CD1 TRP A 77 10.060 -4.464 9.053 1.00 0.00 C ATOM 1135 CD2 TRP A 77 9.917 -3.895 6.892 1.00 0.00 C ATOM 1136 NE1 TRP A 77 11.094 -5.076 8.387 1.00 0.00 N ATOM 1137 CE2 TRP A 77 11.027 -4.744 7.061 1.00 0.00 C ATOM 1138 CE3 TRP A 77 9.628 -3.411 5.613 1.00 0.00 C ATOM 1139 CZ2 TRP A 77 11.847 -5.118 5.999 1.00 0.00 C ATOM 1140 CZ3 TRP A 77 10.443 -3.784 4.560 1.00 0.00 C ATOM 1141 CH2 TRP A 77 11.540 -4.630 4.759 1.00 0.00 C ATOM 0 H TRP A 77 5.702 -2.373 9.444 1.00 0.00 H new ATOM 0 HA TRP A 77 6.779 -3.652 7.000 1.00 0.00 H new ATOM 0 HB2 TRP A 77 8.200 -1.928 8.021 1.00 0.00 H new ATOM 0 HB3 TRP A 77 8.081 -2.717 9.582 1.00 0.00 H new ATOM 0 HD1 TRP A 77 9.866 -4.554 10.112 1.00 0.00 H new ATOM 0 HE1 TRP A 77 11.798 -5.680 8.812 1.00 0.00 H new ATOM 0 HE3 TRP A 77 8.784 -2.758 5.450 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 12.695 -5.770 6.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 10.229 -3.416 3.567 1.00 0.00 H new ATOM 0 HH2 TRP A 77 12.157 -4.903 3.916 1.00 0.00 H new ATOM 1152 N CYS A 78 6.755 -5.947 7.909 1.00 0.00 N ATOM 1153 CA CYS A 78 6.618 -7.310 8.396 1.00 0.00 C ATOM 1154 C CYS A 78 7.971 -8.009 8.343 1.00 0.00 C ATOM 1155 O CYS A 78 8.508 -8.234 7.264 1.00 0.00 O ATOM 1156 CB CYS A 78 5.586 -8.064 7.556 1.00 0.00 C ATOM 1157 SG CYS A 78 4.912 -9.559 8.351 1.00 0.00 S ATOM 0 H CYS A 78 6.969 -5.872 6.915 1.00 0.00 H new ATOM 0 HA CYS A 78 6.272 -7.294 9.430 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.762 -7.389 7.323 1.00 0.00 H new ATOM 0 HB3 CYS A 78 6.044 -8.347 6.608 1.00 0.00 H new ATOM 1162 N TYR A 79 8.506 -8.346 9.515 1.00 0.00 N ATOM 1163 CA TYR A 79 9.869 -8.879 9.642 1.00 0.00 C ATOM 1164 C TYR A 79 10.134 -10.086 8.740 1.00 0.00 C ATOM 1165 O TYR A 79 11.037 -10.054 7.905 1.00 0.00 O ATOM 1166 CB TYR A 79 10.154 -9.266 11.094 1.00 0.00 C ATOM 1167 CG TYR A 79 10.291 -8.088 12.030 1.00 0.00 C ATOM 1168 CD1 TYR A 79 11.405 -7.262 11.973 1.00 0.00 C ATOM 1169 CD2 TYR A 79 9.318 -7.811 12.981 1.00 0.00 C ATOM 1170 CE1 TYR A 79 11.547 -6.195 12.837 1.00 0.00 C ATOM 1171 CE2 TYR A 79 9.451 -6.742 13.847 1.00 0.00 C ATOM 1172 CZ TYR A 79 10.568 -5.939 13.771 1.00 0.00 C ATOM 1173 OH TYR A 79 10.712 -4.882 14.639 1.00 0.00 O ATOM 0 H TYR A 79 8.012 -8.259 10.403 1.00 0.00 H new ATOM 0 HA TYR A 79 10.537 -8.080 9.321 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.350 -9.909 11.452 1.00 0.00 H new ATOM 0 HB3 TYR A 79 11.072 -9.853 11.129 1.00 0.00 H new ATOM 0 HD1 TYR A 79 12.174 -7.457 11.240 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.443 -8.441 13.045 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.422 -5.564 12.781 1.00 0.00 H new ATOM 0 HE2 TYR A 79 8.684 -6.537 14.579 1.00 0.00 H new ATOM 0 HH TYR A 79 10.879 -5.221 15.543 1.00 0.00 H new ATOM 1183 N VAL A 80 9.357 -11.147 8.913 1.00 0.00 N ATOM 1184 CA VAL A 80 9.595 -12.391 8.181 1.00 0.00 C ATOM 1185 C VAL A 80 9.295 -12.249 6.689 1.00 0.00 C ATOM 1186 O VAL A 80 9.891 -12.934 5.861 1.00 0.00 O ATOM 1187 CB VAL A 80 8.780 -13.566 8.767 1.00 0.00 C ATOM 1188 CG1 VAL A 80 9.344 -13.983 10.115 1.00 0.00 C ATOM 1189 CG2 VAL A 80 7.309 -13.201 8.898 1.00 0.00 C ATOM 0 H VAL A 80 8.560 -11.175 9.549 1.00 0.00 H new ATOM 0 HA VAL A 80 10.656 -12.610 8.297 1.00 0.00 H new ATOM 0 HB VAL A 80 8.859 -14.407 8.078 1.00 0.00 H new ATOM 0 HG11 VAL A 80 8.759 -14.811 10.514 1.00 0.00 H new ATOM 0 HG12 VAL A 80 10.381 -14.296 9.994 1.00 0.00 H new ATOM 0 HG13 VAL A 80 9.298 -13.141 10.805 1.00 0.00 H new ATOM 0 HG21 VAL A 80 6.760 -14.046 9.313 1.00 0.00 H new ATOM 0 HG22 VAL A 80 7.205 -12.341 9.560 1.00 0.00 H new ATOM 0 HG23 VAL A 80 6.907 -12.954 7.916 1.00 0.00 H new ATOM 1199 N ASP A 81 8.386 -11.346 6.353 1.00 0.00 N ATOM 1200 CA ASP A 81 8.000 -11.128 4.959 1.00 0.00 C ATOM 1201 C ASP A 81 9.020 -10.249 4.262 1.00 0.00 C ATOM 1202 O ASP A 81 9.329 -10.446 3.086 1.00 0.00 O ATOM 1203 CB ASP A 81 6.640 -10.433 4.863 1.00 0.00 C ATOM 1204 CG ASP A 81 5.510 -11.190 5.520 1.00 0.00 C ATOM 1205 OD1 ASP A 81 5.709 -11.751 6.609 1.00 0.00 O ATOM 1206 OD2 ASP A 81 4.388 -11.164 4.988 1.00 0.00 O ATOM 0 H ASP A 81 7.900 -10.750 7.023 1.00 0.00 H new ATOM 0 HA ASP A 81 7.947 -12.107 4.483 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.716 -9.446 5.320 1.00 0.00 H new ATOM 0 HB3 ASP A 81 6.397 -10.279 3.812 1.00 0.00 H new ATOM 1211 N GLU A 82 9.513 -9.261 5.006 1.00 0.00 N ATOM 1212 CA GLU A 82 10.407 -8.239 4.477 1.00 0.00 C ATOM 1213 C GLU A 82 9.684 -7.423 3.413 1.00 0.00 C ATOM 1214 O GLU A 82 10.285 -6.936 2.457 1.00 0.00 O ATOM 1215 CB GLU A 82 11.694 -8.864 3.931 1.00 0.00 C ATOM 1216 CG GLU A 82 12.427 -9.698 4.967 1.00 0.00 C ATOM 1217 CD GLU A 82 13.784 -10.175 4.504 1.00 0.00 C ATOM 1218 OE1 GLU A 82 14.068 -10.118 3.292 1.00 0.00 O ATOM 1219 OE2 GLU A 82 14.585 -10.604 5.362 1.00 0.00 O ATOM 0 H GLU A 82 9.301 -9.148 5.997 1.00 0.00 H new ATOM 0 HA GLU A 82 10.697 -7.568 5.286 1.00 0.00 H new ATOM 0 HB2 GLU A 82 11.453 -9.490 3.072 1.00 0.00 H new ATOM 0 HB3 GLU A 82 12.354 -8.073 3.574 1.00 0.00 H new ATOM 0 HG2 GLU A 82 12.548 -9.110 5.877 1.00 0.00 H new ATOM 0 HG3 GLU A 82 11.815 -10.562 5.226 1.00 0.00 H new ATOM 1226 N VAL A 83 8.375 -7.283 3.600 1.00 0.00 N ATOM 1227 CA VAL A 83 7.552 -6.459 2.729 1.00 0.00 C ATOM 1228 C VAL A 83 6.994 -5.280 3.514 1.00 0.00 C ATOM 1229 O VAL A 83 6.817 -5.366 4.735 1.00 0.00 O ATOM 1230 CB VAL A 83 6.378 -7.252 2.094 1.00 0.00 C ATOM 1231 CG1 VAL A 83 6.896 -8.449 1.313 1.00 0.00 C ATOM 1232 CG2 VAL A 83 5.361 -7.690 3.145 1.00 0.00 C ATOM 0 H VAL A 83 7.860 -7.735 4.355 1.00 0.00 H new ATOM 0 HA VAL A 83 8.192 -6.111 1.918 1.00 0.00 H new ATOM 0 HB VAL A 83 5.867 -6.583 1.401 1.00 0.00 H new ATOM 0 HG11 VAL A 83 6.056 -8.990 0.877 1.00 0.00 H new ATOM 0 HG12 VAL A 83 7.559 -8.106 0.518 1.00 0.00 H new ATOM 0 HG13 VAL A 83 7.445 -9.111 1.983 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.554 -8.242 2.663 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.850 -8.330 3.880 1.00 0.00 H new ATOM 0 HG23 VAL A 83 4.952 -6.811 3.644 1.00 0.00 H new ATOM 1242 N MET A 84 6.728 -4.189 2.818 1.00 0.00 N ATOM 1243 CA MET A 84 6.174 -3.002 3.444 1.00 0.00 C ATOM 1244 C MET A 84 4.796 -2.721 2.871 1.00 0.00 C ATOM 1245 O MET A 84 4.657 -2.404 1.689 1.00 0.00 O ATOM 1246 CB MET A 84 7.088 -1.794 3.227 1.00 0.00 C ATOM 1247 CG MET A 84 6.621 -0.540 3.953 1.00 0.00 C ATOM 1248 SD MET A 84 7.621 0.910 3.561 1.00 0.00 S ATOM 1249 CE MET A 84 9.235 0.374 4.124 1.00 0.00 C ATOM 0 H MET A 84 6.888 -4.101 1.814 1.00 0.00 H new ATOM 0 HA MET A 84 6.093 -3.179 4.517 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.094 -2.045 3.563 1.00 0.00 H new ATOM 0 HB3 MET A 84 7.151 -1.584 2.159 1.00 0.00 H new ATOM 0 HG2 MET A 84 5.582 -0.340 3.691 1.00 0.00 H new ATOM 0 HG3 MET A 84 6.651 -0.716 5.028 1.00 0.00 H new ATOM 0 HE1 MET A 84 9.757 1.213 4.583 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.118 -0.425 4.856 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.813 0.007 3.276 1.00 0.00 H new ATOM 1259 N PHE A 85 3.779 -2.858 3.699 1.00 0.00 N ATOM 1260 CA PHE A 85 2.416 -2.642 3.252 1.00 0.00 C ATOM 1261 C PHE A 85 1.881 -1.324 3.779 1.00 0.00 C ATOM 1262 O PHE A 85 2.301 -0.852 4.836 1.00 0.00 O ATOM 1263 CB PHE A 85 1.506 -3.807 3.657 1.00 0.00 C ATOM 1264 CG PHE A 85 1.617 -4.231 5.094 1.00 0.00 C ATOM 1265 CD1 PHE A 85 0.828 -3.645 6.067 1.00 0.00 C ATOM 1266 CD2 PHE A 85 2.501 -5.233 5.465 1.00 0.00 C ATOM 1267 CE1 PHE A 85 0.918 -4.046 7.383 1.00 0.00 C ATOM 1268 CE2 PHE A 85 2.596 -5.637 6.782 1.00 0.00 C ATOM 1269 CZ PHE A 85 1.803 -5.043 7.742 1.00 0.00 C ATOM 0 H PHE A 85 3.869 -3.117 4.681 1.00 0.00 H new ATOM 0 HA PHE A 85 2.424 -2.595 2.163 1.00 0.00 H new ATOM 0 HB2 PHE A 85 0.472 -3.527 3.455 1.00 0.00 H new ATOM 0 HB3 PHE A 85 1.734 -4.664 3.023 1.00 0.00 H new ATOM 0 HD1 PHE A 85 0.134 -2.865 5.793 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.122 -5.702 4.716 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.296 -3.580 8.133 1.00 0.00 H new ATOM 0 HE2 PHE A 85 3.290 -6.417 7.060 1.00 0.00 H new ATOM 0 HZ PHE A 85 1.874 -5.357 8.773 1.00 0.00 H new ATOM 1279 N ASP A 86 0.966 -0.731 3.032 1.00 0.00 N ATOM 1280 CA ASP A 86 0.431 0.574 3.382 1.00 0.00 C ATOM 1281 C ASP A 86 -0.557 0.457 4.529 1.00 0.00 C ATOM 1282 O ASP A 86 -1.542 -0.280 4.446 1.00 0.00 O ATOM 1283 CB ASP A 86 -0.252 1.223 2.178 1.00 0.00 C ATOM 1284 CG ASP A 86 -0.635 2.665 2.445 1.00 0.00 C ATOM 1285 OD1 ASP A 86 -1.598 2.903 3.201 1.00 0.00 O ATOM 1286 OD2 ASP A 86 0.037 3.570 1.906 1.00 0.00 O ATOM 0 H ASP A 86 0.578 -1.132 2.179 1.00 0.00 H new ATOM 0 HA ASP A 86 1.265 1.203 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 86 0.415 1.180 1.317 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -1.145 0.654 1.919 1.00 0.00 H new ATOM 1291 N LEU A 87 -0.280 1.178 5.601 1.00 0.00 N ATOM 1292 CA LEU A 87 -1.171 1.218 6.746 1.00 0.00 C ATOM 1293 C LEU A 87 -1.671 2.633 6.979 1.00 0.00 C ATOM 1294 O LEU A 87 -2.098 2.966 8.075 1.00 0.00 O ATOM 1295 CB LEU A 87 -0.473 0.702 8.008 1.00 0.00 C ATOM 1296 CG LEU A 87 -0.382 -0.819 8.132 1.00 0.00 C ATOM 1297 CD1 LEU A 87 0.303 -1.205 9.433 1.00 0.00 C ATOM 1298 CD2 LEU A 87 -1.768 -1.442 8.063 1.00 0.00 C ATOM 0 H LEU A 87 0.561 1.747 5.702 1.00 0.00 H new ATOM 0 HA LEU A 87 -2.019 0.568 6.530 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.536 1.113 8.038 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -1.001 1.090 8.879 1.00 0.00 H new ATOM 0 HG LEU A 87 0.211 -1.197 7.300 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.360 -2.291 9.506 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.309 -0.787 9.452 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.268 -0.814 10.275 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.685 -2.525 8.153 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -2.381 -1.056 8.877 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.232 -1.192 7.109 1.00 0.00 H new ATOM 1310 N SER A 88 -1.650 3.456 5.938 1.00 0.00 N ATOM 1311 CA SER A 88 -2.063 4.849 6.058 1.00 0.00 C ATOM 1312 C SER A 88 -3.537 4.930 6.451 1.00 0.00 C ATOM 1313 O SER A 88 -3.963 5.861 7.133 1.00 0.00 O ATOM 1314 CB SER A 88 -1.817 5.583 4.737 1.00 0.00 C ATOM 1315 OG SER A 88 -2.028 6.979 4.866 1.00 0.00 O ATOM 0 H SER A 88 -1.352 3.183 5.002 1.00 0.00 H new ATOM 0 HA SER A 88 -1.472 5.329 6.838 1.00 0.00 H new ATOM 0 HB2 SER A 88 -0.796 5.399 4.403 1.00 0.00 H new ATOM 0 HB3 SER A 88 -2.481 5.184 3.970 1.00 0.00 H new ATOM 0 HG SER A 88 -1.861 7.416 4.005 1.00 0.00 H new ATOM 1321 N ASP A 89 -4.297 3.926 6.036 1.00 0.00 N ATOM 1322 CA ASP A 89 -5.721 3.844 6.345 1.00 0.00 C ATOM 1323 C ASP A 89 -5.954 3.496 7.817 1.00 0.00 C ATOM 1324 O ASP A 89 -7.023 3.758 8.365 1.00 0.00 O ATOM 1325 CB ASP A 89 -6.370 2.786 5.445 1.00 0.00 C ATOM 1326 CG ASP A 89 -7.834 2.538 5.759 1.00 0.00 C ATOM 1327 OD1 ASP A 89 -8.688 3.324 5.301 1.00 0.00 O ATOM 1328 OD2 ASP A 89 -8.137 1.534 6.439 1.00 0.00 O ATOM 0 H ASP A 89 -3.947 3.147 5.478 1.00 0.00 H new ATOM 0 HA ASP A 89 -6.174 4.818 6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -6.278 3.099 4.405 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -5.822 1.849 5.545 1.00 0.00 H new ATOM 1333 N ARG A 90 -4.944 2.922 8.462 1.00 0.00 N ATOM 1334 CA ARG A 90 -5.096 2.416 9.824 1.00 0.00 C ATOM 1335 C ARG A 90 -3.934 2.864 10.707 1.00 0.00 C ATOM 1336 O ARG A 90 -3.653 2.234 11.723 1.00 0.00 O ATOM 1337 CB ARG A 90 -5.139 0.883 9.808 1.00 0.00 C ATOM 1338 CG ARG A 90 -6.036 0.297 8.730 1.00 0.00 C ATOM 1339 CD ARG A 90 -5.980 -1.220 8.725 1.00 0.00 C ATOM 1340 NE ARG A 90 -6.681 -1.793 7.579 1.00 0.00 N ATOM 1341 CZ ARG A 90 -7.222 -3.010 7.566 1.00 0.00 C ATOM 1342 NH1 ARG A 90 -7.239 -3.747 8.672 1.00 0.00 N ATOM 1343 NH2 ARG A 90 -7.775 -3.470 6.452 1.00 0.00 N ATOM 0 H ARG A 90 -4.013 2.795 8.066 1.00 0.00 H new ATOM 0 HA ARG A 90 -6.026 2.816 10.229 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.127 0.504 9.669 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -5.481 0.530 10.781 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -7.063 0.624 8.892 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -5.731 0.677 7.755 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -4.939 -1.544 8.711 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -6.420 -1.601 9.646 1.00 0.00 H new ATOM 0 HE ARG A 90 -6.761 -1.225 6.735 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -6.837 -3.381 9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.654 -4.679 8.658 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -7.784 -2.893 5.611 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.191 -4.401 6.436 1.00 0.00 H new ATOM 1357 N MET A 91 -3.288 3.963 10.327 1.00 0.00 N ATOM 1358 CA MET A 91 -2.025 4.376 10.949 1.00 0.00 C ATOM 1359 C MET A 91 -2.187 4.695 12.431 1.00 0.00 C ATOM 1360 O MET A 91 -3.242 5.162 12.870 1.00 0.00 O ATOM 1361 CB MET A 91 -1.441 5.601 10.234 1.00 0.00 C ATOM 1362 CG MET A 91 -2.257 6.873 10.428 1.00 0.00 C ATOM 1363 SD MET A 91 -1.434 8.347 9.791 1.00 0.00 S ATOM 1364 CE MET A 91 -1.301 7.945 8.052 1.00 0.00 C ATOM 0 H MET A 91 -3.616 4.587 9.590 1.00 0.00 H new ATOM 0 HA MET A 91 -1.343 3.531 10.854 1.00 0.00 H new ATOM 0 HB2 MET A 91 -0.427 5.772 10.596 1.00 0.00 H new ATOM 0 HB3 MET A 91 -1.367 5.387 9.168 1.00 0.00 H new ATOM 0 HG2 MET A 91 -3.220 6.759 9.931 1.00 0.00 H new ATOM 0 HG3 MET A 91 -2.461 7.008 11.490 1.00 0.00 H new ATOM 0 HE1 MET A 91 -1.455 8.846 7.458 1.00 0.00 H new ATOM 0 HE2 MET A 91 -0.310 7.540 7.847 1.00 0.00 H new ATOM 0 HE3 MET A 91 -2.057 7.205 7.791 1.00 0.00 H new ATOM 1374 N THR A 92 -1.137 4.432 13.195 1.00 0.00 N ATOM 1375 CA THR A 92 -1.098 4.817 14.595 1.00 0.00 C ATOM 1376 C THR A 92 -0.297 6.110 14.757 1.00 0.00 C ATOM 1377 O THR A 92 0.928 6.111 14.634 1.00 0.00 O ATOM 1378 CB THR A 92 -0.467 3.718 15.469 1.00 0.00 C ATOM 1379 OG1 THR A 92 -0.962 2.433 15.076 1.00 0.00 O ATOM 1380 CG2 THR A 92 -0.786 3.956 16.936 1.00 0.00 C ATOM 0 H THR A 92 -0.299 3.952 12.866 1.00 0.00 H new ATOM 0 HA THR A 92 -2.126 4.969 14.924 1.00 0.00 H new ATOM 0 HB THR A 92 0.614 3.748 15.331 1.00 0.00 H new ATOM 0 HG1 THR A 92 -0.339 2.023 14.440 1.00 0.00 H new ATOM 0 HG21 THR A 92 -0.332 3.170 17.539 1.00 0.00 H new ATOM 0 HG22 THR A 92 -0.389 4.924 17.242 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.866 3.946 17.080 1.00 0.00 H new ATOM 1388 N PRO A 93 -0.985 7.232 15.010 1.00 0.00 N ATOM 1389 CA PRO A 93 -0.349 8.544 15.148 1.00 0.00 C ATOM 1390 C PRO A 93 0.396 8.695 16.472 1.00 0.00 C ATOM 1391 O PRO A 93 0.162 7.940 17.419 1.00 0.00 O ATOM 1392 CB PRO A 93 -1.525 9.531 15.090 1.00 0.00 C ATOM 1393 CG PRO A 93 -2.722 8.718 14.715 1.00 0.00 C ATOM 1394 CD PRO A 93 -2.436 7.321 15.174 1.00 0.00 C ATOM 0 HA PRO A 93 0.401 8.707 14.374 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -1.671 10.021 16.052 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -1.341 10.316 14.357 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -3.622 9.108 15.190 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -2.892 8.748 13.639 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -2.739 7.163 16.209 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -2.960 6.579 14.571 1.00 0.00 H new ATOM 1402 N HIS A 94 1.291 9.677 16.535 1.00 0.00 N ATOM 1403 CA HIS A 94 2.031 9.951 17.762 1.00 0.00 C ATOM 1404 C HIS A 94 1.070 10.412 18.855 1.00 0.00 C ATOM 1405 O HIS A 94 0.307 11.360 18.665 1.00 0.00 O ATOM 1406 CB HIS A 94 3.148 10.990 17.525 1.00 0.00 C ATOM 1407 CG HIS A 94 2.679 12.391 17.233 1.00 0.00 C ATOM 1408 ND1 HIS A 94 2.173 12.784 16.014 1.00 0.00 N ATOM 1409 CD2 HIS A 94 2.658 13.498 18.016 1.00 0.00 C ATOM 1410 CE1 HIS A 94 1.864 14.066 16.059 1.00 0.00 C ATOM 1411 NE2 HIS A 94 2.147 14.524 17.262 1.00 0.00 N ATOM 0 H HIS A 94 1.520 10.293 15.755 1.00 0.00 H new ATOM 0 HA HIS A 94 2.514 9.030 18.088 1.00 0.00 H new ATOM 0 HB2 HIS A 94 3.789 11.016 18.406 1.00 0.00 H new ATOM 0 HB3 HIS A 94 3.765 10.651 16.693 1.00 0.00 H new ATOM 0 HD2 HIS A 94 2.984 13.560 19.044 1.00 0.00 H new ATOM 0 HE1 HIS A 94 1.449 14.643 15.246 1.00 0.00 H new ATOM 0 HE2 HIS A 94 2.009 15.483 17.580 1.00 0.00 H new ATOM 1420 N ASN A 95 1.094 9.726 19.992 1.00 0.00 N ATOM 1421 CA ASN A 95 0.149 10.015 21.069 1.00 0.00 C ATOM 1422 C ASN A 95 0.603 11.215 21.896 1.00 0.00 C ATOM 1423 O ASN A 95 -0.170 11.770 22.678 1.00 0.00 O ATOM 1424 CB ASN A 95 -0.048 8.790 21.978 1.00 0.00 C ATOM 1425 CG ASN A 95 1.046 8.620 23.021 1.00 0.00 C ATOM 1426 OD1 ASN A 95 0.960 9.168 24.121 1.00 0.00 O ATOM 1427 ND2 ASN A 95 2.071 7.849 22.696 1.00 0.00 N ATOM 0 H ASN A 95 1.751 8.972 20.193 1.00 0.00 H new ATOM 0 HA ASN A 95 -0.807 10.259 20.605 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.010 8.875 22.484 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.091 7.893 21.360 1.00 0.00 H new ATOM 0 HD21 ASN A 95 2.824 7.692 23.366 1.00 0.00 H new ATOM 0 HD22 ASN A 95 2.108 7.411 21.775 1.00 0.00 H new ATOM 1434 N GLY A 96 1.854 11.614 21.714 1.00 0.00 N ATOM 1435 CA GLY A 96 2.393 12.728 22.463 1.00 0.00 C ATOM 1436 C GLY A 96 3.667 13.265 21.845 1.00 0.00 C ATOM 1437 O GLY A 96 4.065 12.816 20.768 1.00 0.00 O ATOM 0 H GLY A 96 2.506 11.184 21.058 1.00 0.00 H new ATOM 0 HA2 GLY A 96 1.651 13.524 22.512 1.00 0.00 H new ATOM 0 HA3 GLY A 96 2.592 12.414 23.488 1.00 0.00 H new ATOM 1441 N PRO A 97 4.333 14.219 22.513 1.00 0.00 N ATOM 1442 CA PRO A 97 5.553 14.852 22.004 1.00 0.00 C ATOM 1443 C PRO A 97 6.744 13.899 21.994 1.00 0.00 C ATOM 1444 O PRO A 97 7.136 13.365 23.033 1.00 0.00 O ATOM 1445 CB PRO A 97 5.811 16.007 22.986 1.00 0.00 C ATOM 1446 CG PRO A 97 4.574 16.119 23.816 1.00 0.00 C ATOM 1447 CD PRO A 97 3.951 14.756 23.824 1.00 0.00 C ATOM 0 HA PRO A 97 5.430 15.175 20.970 1.00 0.00 H new ATOM 0 HB2 PRO A 97 6.682 15.804 23.608 1.00 0.00 H new ATOM 0 HB3 PRO A 97 6.010 16.937 22.453 1.00 0.00 H new ATOM 0 HG2 PRO A 97 4.813 16.444 24.829 1.00 0.00 H new ATOM 0 HG3 PRO A 97 3.890 16.857 23.397 1.00 0.00 H new ATOM 0 HD2 PRO A 97 4.332 14.142 24.640 1.00 0.00 H new ATOM 0 HD3 PRO A 97 2.868 14.806 23.941 1.00 0.00 H new ATOM 1455 N ILE A 98 7.316 13.691 20.819 1.00 0.00 N ATOM 1456 CA ILE A 98 8.476 12.827 20.675 1.00 0.00 C ATOM 1457 C ILE A 98 9.715 13.658 20.364 1.00 0.00 C ATOM 1458 O ILE A 98 9.716 14.441 19.414 1.00 0.00 O ATOM 1459 CB ILE A 98 8.272 11.787 19.553 1.00 0.00 C ATOM 1460 CG1 ILE A 98 7.006 10.969 19.812 1.00 0.00 C ATOM 1461 CG2 ILE A 98 9.487 10.873 19.446 1.00 0.00 C ATOM 1462 CD1 ILE A 98 6.707 9.961 18.726 1.00 0.00 C ATOM 0 H ILE A 98 6.994 14.111 19.947 1.00 0.00 H new ATOM 0 HA ILE A 98 8.609 12.298 21.619 1.00 0.00 H new ATOM 0 HB ILE A 98 8.156 12.315 18.606 1.00 0.00 H new ATOM 0 HG12 ILE A 98 7.109 10.447 20.763 1.00 0.00 H new ATOM 0 HG13 ILE A 98 6.158 11.647 19.911 1.00 0.00 H new ATOM 0 HG21 ILE A 98 9.326 10.146 18.650 1.00 0.00 H new ATOM 0 HG22 ILE A 98 10.372 11.469 19.220 1.00 0.00 H new ATOM 0 HG23 ILE A 98 9.633 10.350 20.391 1.00 0.00 H new ATOM 0 HD11 ILE A 98 5.796 9.417 18.975 1.00 0.00 H new ATOM 0 HD12 ILE A 98 6.572 10.479 17.776 1.00 0.00 H new ATOM 0 HD13 ILE A 98 7.537 9.259 18.642 1.00 0.00 H new ATOM 1474 N PRO A 99 10.775 13.522 21.174 1.00 0.00 N ATOM 1475 CA PRO A 99 12.037 14.226 20.939 1.00 0.00 C ATOM 1476 C PRO A 99 12.747 13.723 19.683 1.00 0.00 C ATOM 1477 O PRO A 99 13.212 12.583 19.627 1.00 0.00 O ATOM 1478 CB PRO A 99 12.865 13.922 22.191 1.00 0.00 C ATOM 1479 CG PRO A 99 12.284 12.667 22.744 1.00 0.00 C ATOM 1480 CD PRO A 99 10.824 12.682 22.385 1.00 0.00 C ATOM 0 HA PRO A 99 11.885 15.293 20.774 1.00 0.00 H new ATOM 0 HB2 PRO A 99 13.919 13.794 21.945 1.00 0.00 H new ATOM 0 HB3 PRO A 99 12.803 14.737 22.912 1.00 0.00 H new ATOM 0 HG2 PRO A 99 12.779 11.792 22.323 1.00 0.00 H new ATOM 0 HG3 PRO A 99 12.418 12.620 23.825 1.00 0.00 H new ATOM 0 HD2 PRO A 99 10.448 11.677 22.192 1.00 0.00 H new ATOM 0 HD3 PRO A 99 10.218 13.100 23.188 1.00 0.00 H new ATOM 1488 N ARG A 100 12.810 14.577 18.674 1.00 0.00 N ATOM 1489 CA ARG A 100 13.442 14.234 17.409 1.00 0.00 C ATOM 1490 C ARG A 100 14.942 14.505 17.490 1.00 0.00 C ATOM 1491 O ARG A 100 15.365 15.628 17.768 1.00 0.00 O ATOM 1492 CB ARG A 100 12.782 15.042 16.279 1.00 0.00 C ATOM 1493 CG ARG A 100 13.221 14.674 14.865 1.00 0.00 C ATOM 1494 CD ARG A 100 14.562 15.290 14.493 1.00 0.00 C ATOM 1495 NE ARG A 100 14.590 16.735 14.715 1.00 0.00 N ATOM 1496 CZ ARG A 100 15.565 17.535 14.284 1.00 0.00 C ATOM 1497 NH1 ARG A 100 16.544 17.052 13.532 1.00 0.00 N ATOM 1498 NH2 ARG A 100 15.547 18.827 14.590 1.00 0.00 N ATOM 0 H ARG A 100 12.427 15.522 18.707 1.00 0.00 H new ATOM 0 HA ARG A 100 13.307 13.173 17.197 1.00 0.00 H new ATOM 0 HB2 ARG A 100 11.702 14.916 16.349 1.00 0.00 H new ATOM 0 HB3 ARG A 100 12.991 16.099 16.442 1.00 0.00 H new ATOM 0 HG2 ARG A 100 13.287 13.589 14.779 1.00 0.00 H new ATOM 0 HG3 ARG A 100 12.463 15.005 14.155 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.351 14.819 15.080 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.777 15.082 13.445 1.00 0.00 H new ATOM 0 HE ARG A 100 13.817 17.156 15.231 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.554 16.064 13.280 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.288 17.669 13.205 1.00 0.00 H new ATOM 0 HH21 ARG A 100 14.787 19.207 15.155 1.00 0.00 H new ATOM 0 HH22 ARG A 100 16.293 19.440 14.260 1.00 0.00 H new ATOM 1512 N TYR A 101 15.740 13.469 17.268 1.00 0.00 N ATOM 1513 CA TYR A 101 17.191 13.600 17.328 1.00 0.00 C ATOM 1514 C TYR A 101 17.797 13.736 15.933 1.00 0.00 C ATOM 1515 O TYR A 101 18.682 14.565 15.711 1.00 0.00 O ATOM 1516 CB TYR A 101 17.809 12.401 18.056 1.00 0.00 C ATOM 1517 CG TYR A 101 17.466 12.343 19.529 1.00 0.00 C ATOM 1518 CD1 TYR A 101 18.260 12.987 20.471 1.00 0.00 C ATOM 1519 CD2 TYR A 101 16.350 11.651 19.978 1.00 0.00 C ATOM 1520 CE1 TYR A 101 17.950 12.943 21.817 1.00 0.00 C ATOM 1521 CE2 TYR A 101 16.035 11.602 21.322 1.00 0.00 C ATOM 1522 CZ TYR A 101 16.836 12.248 22.237 1.00 0.00 C ATOM 1523 OH TYR A 101 16.520 12.205 23.576 1.00 0.00 O ATOM 0 H TYR A 101 15.409 12.530 17.045 1.00 0.00 H new ATOM 0 HA TYR A 101 17.417 14.509 17.885 1.00 0.00 H new ATOM 0 HB2 TYR A 101 17.471 11.482 17.577 1.00 0.00 H new ATOM 0 HB3 TYR A 101 18.893 12.439 17.945 1.00 0.00 H new ATOM 0 HD1 TYR A 101 19.134 13.531 20.145 1.00 0.00 H new ATOM 0 HD2 TYR A 101 15.718 11.143 19.265 1.00 0.00 H new ATOM 0 HE1 TYR A 101 18.577 13.450 22.536 1.00 0.00 H new ATOM 0 HE2 TYR A 101 15.163 11.059 21.654 1.00 0.00 H new ATOM 0 HH TYR A 101 15.705 11.675 23.703 1.00 0.00 H new ATOM 1533 N VAL A 102 17.322 12.924 14.997 1.00 0.00 N ATOM 1534 CA VAL A 102 17.854 12.935 13.641 1.00 0.00 C ATOM 1535 C VAL A 102 16.854 13.542 12.657 1.00 0.00 C ATOM 1536 O VAL A 102 17.059 14.707 12.260 1.00 0.00 O ATOM 1537 CB VAL A 102 18.280 11.521 13.179 1.00 0.00 C ATOM 1538 CG1 VAL A 102 19.552 11.092 13.896 1.00 0.00 C ATOM 1539 CG2 VAL A 102 17.175 10.504 13.422 1.00 0.00 C ATOM 1540 OXT VAL A 102 15.858 12.875 12.304 1.00 0.00 O ATOM 0 H VAL A 102 16.571 12.251 15.152 1.00 0.00 H new ATOM 0 HA VAL A 102 18.745 13.563 13.655 1.00 0.00 H new ATOM 0 HB VAL A 102 18.471 11.563 12.107 1.00 0.00 H new ATOM 0 HG11 VAL A 102 19.840 10.095 13.561 1.00 0.00 H new ATOM 0 HG12 VAL A 102 20.353 11.796 13.670 1.00 0.00 H new ATOM 0 HG13 VAL A 102 19.376 11.077 14.972 1.00 0.00 H new ATOM 0 HG21 VAL A 102 17.505 9.521 13.087 1.00 0.00 H new ATOM 0 HG22 VAL A 102 16.943 10.466 14.486 1.00 0.00 H new ATOM 0 HG23 VAL A 102 16.283 10.796 12.867 1.00 0.00 H new TER 1550 VAL A 102 HETATM 1551 ZN ZN A 103 3.737 -11.041 6.945 1.00 0.00 ZN HETATM 1552 ZN ZN A 104 4.964 -6.528 20.317 1.00 0.00 ZN