USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 580 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 48 HIS : no HD1:sc= 0.0353 X(o=-0.33,f=-0.41) USER MOD Set 1.2: A 64 SER OG : rot -100:sc= -0.364 USER MOD Set 2.1: A 2 LYS NZ :NH3+ 145:sc= -1.2 (180deg=-0.931) USER MOD Set 2.2: A 46 MET CE :methyl 163:sc= -1.09 (180deg=-1.13) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.163 (180deg=-1.27) USER MOD Single : A 1 MET N :NH3+ -139:sc= -0.111 (180deg=-0.638) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= -0.0664 USER MOD Single : A 8 TYR OH : rot 30:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0.0122 K(o=0.012,f=-6.4!) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.018 (180deg=-0.452) USER MOD Single : A 40 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.11) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0.26 (180deg=0.257) USER MOD Single : A 45 SER OG : rot 180:sc= 0.314 USER MOD Single : A 52 THR OG1 : rot -82:sc= 0.772 USER MOD Single : A 54 THR OG1 : rot -69:sc= 0.767 USER MOD Single : A 56 LYS NZ :NH3+ 158:sc= -0.114 (180deg=-0.71) USER MOD Single : A 61 LYS NZ :NH3+ -130:sc= -0.181 (180deg=-0.991) USER MOD Single : A 69 HIS : no HE2:sc= -1.4 K(o=-1.4,f=-3.3!) USER MOD Single : A 70 HIS : no HD1:sc= -0.251 X(o=-0.25,f=-0.0026) USER MOD Single : A 71 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HE2:sc= -0.189 K(o=-0.19,f=-1.7) USER MOD Single : A 73 HIS : no HD1:sc= 0.405 K(o=0.41,f=-2.7!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 13.921 0.251 0.661 1.00 0.00 N ATOM 2 CA MET A 1 13.165 -0.464 -0.403 1.00 0.00 C ATOM 3 C MET A 1 11.746 0.098 -0.455 1.00 0.00 C ATOM 4 O MET A 1 10.777 -0.619 -0.301 1.00 0.00 O ATOM 5 CB MET A 1 13.124 -1.960 -0.074 1.00 0.00 C ATOM 6 CG MET A 1 14.548 -2.526 -0.078 1.00 0.00 C ATOM 7 SD MET A 1 15.260 -2.398 -1.740 1.00 0.00 S ATOM 8 CE MET A 1 14.155 -3.570 -2.567 1.00 0.00 C ATOM 0 H1 MET A 1 14.886 0.450 0.327 1.00 0.00 H new ATOM 0 H2 MET A 1 13.441 1.146 0.886 1.00 0.00 H new ATOM 0 H3 MET A 1 13.965 -0.342 1.514 1.00 0.00 H new ATOM 0 HA MET A 1 13.649 -0.326 -1.370 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.663 -2.116 0.901 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.510 -2.487 -0.805 1.00 0.00 H new ATOM 0 HG2 MET A 1 15.167 -1.981 0.635 1.00 0.00 H new ATOM 0 HG3 MET A 1 14.535 -3.568 0.242 1.00 0.00 H new ATOM 0 HE1 MET A 1 14.659 -3.995 -3.435 1.00 0.00 H new ATOM 0 HE2 MET A 1 13.888 -4.369 -1.875 1.00 0.00 H new ATOM 0 HE3 MET A 1 13.252 -3.053 -2.890 1.00 0.00 H new ATOM 20 N LYS A 2 11.624 1.388 -0.663 1.00 0.00 N ATOM 21 CA LYS A 2 10.276 2.037 -0.720 1.00 0.00 C ATOM 22 C LYS A 2 9.984 2.502 -2.145 1.00 0.00 C ATOM 23 O LYS A 2 10.840 2.479 -3.007 1.00 0.00 O ATOM 24 CB LYS A 2 10.255 3.242 0.224 1.00 0.00 C ATOM 25 CG LYS A 2 11.318 4.260 -0.199 1.00 0.00 C ATOM 26 CD LYS A 2 11.345 5.408 0.813 1.00 0.00 C ATOM 27 CE LYS A 2 12.433 6.412 0.429 1.00 0.00 C ATOM 28 NZ LYS A 2 12.309 6.756 -1.015 1.00 0.00 N ATOM 0 H LYS A 2 12.409 2.025 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 2 9.516 1.318 -0.416 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.269 3.707 0.211 1.00 0.00 H new ATOM 0 HB3 LYS A 2 10.440 2.915 1.247 1.00 0.00 H new ATOM 0 HG2 LYS A 2 12.296 3.782 -0.251 1.00 0.00 H new ATOM 0 HG3 LYS A 2 11.097 4.643 -1.195 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.374 5.903 0.841 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.533 5.019 1.813 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.342 7.312 1.037 1.00 0.00 H new ATOM 0 HE3 LYS A 2 13.418 5.990 0.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 12.565 7.754 -1.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 12.947 6.152 -1.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 11.328 6.603 -1.325 1.00 0.00 H new ATOM 42 N GLY A 3 8.775 2.923 -2.398 1.00 0.00 N ATOM 43 CA GLY A 3 8.418 3.390 -3.765 1.00 0.00 C ATOM 44 C GLY A 3 7.226 4.339 -3.682 1.00 0.00 C ATOM 45 O GLY A 3 7.084 5.086 -2.734 1.00 0.00 O ATOM 0 H GLY A 3 8.019 2.963 -1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 3 9.268 3.896 -4.222 1.00 0.00 H new ATOM 0 HA3 GLY A 3 8.175 2.538 -4.400 1.00 0.00 H new ATOM 49 N LYS A 4 6.367 4.318 -4.672 1.00 0.00 N ATOM 50 CA LYS A 4 5.175 5.221 -4.670 1.00 0.00 C ATOM 51 C LYS A 4 3.919 4.418 -4.998 1.00 0.00 C ATOM 52 O LYS A 4 3.939 3.518 -5.814 1.00 0.00 O ATOM 53 CB LYS A 4 5.375 6.312 -5.723 1.00 0.00 C ATOM 54 CG LYS A 4 6.518 7.233 -5.288 1.00 0.00 C ATOM 55 CD LYS A 4 6.736 8.318 -6.342 1.00 0.00 C ATOM 56 CE LYS A 4 7.866 9.246 -5.891 1.00 0.00 C ATOM 57 NZ LYS A 4 8.079 10.304 -6.918 1.00 0.00 N ATOM 0 H LYS A 4 6.442 3.709 -5.487 1.00 0.00 H new ATOM 0 HA LYS A 4 5.061 5.674 -3.685 1.00 0.00 H new ATOM 0 HB2 LYS A 4 5.603 5.863 -6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.457 6.886 -5.847 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.284 7.689 -4.326 1.00 0.00 H new ATOM 0 HG3 LYS A 4 7.432 6.655 -5.153 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.985 7.864 -7.301 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.819 8.888 -6.488 1.00 0.00 H new ATOM 0 HE2 LYS A 4 7.617 9.700 -4.932 1.00 0.00 H new ATOM 0 HE3 LYS A 4 8.783 8.676 -5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 8.847 10.935 -6.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 8.334 9.862 -7.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.205 10.855 -7.036 1.00 0.00 H new ATOM 71 N VAL A 5 2.825 4.734 -4.361 1.00 0.00 N ATOM 72 CA VAL A 5 1.563 3.987 -4.625 1.00 0.00 C ATOM 73 C VAL A 5 0.892 4.531 -5.889 1.00 0.00 C ATOM 74 O VAL A 5 0.416 5.648 -5.925 1.00 0.00 O ATOM 75 CB VAL A 5 0.622 4.124 -3.423 1.00 0.00 C ATOM 76 CG1 VAL A 5 0.393 5.604 -3.084 1.00 0.00 C ATOM 77 CG2 VAL A 5 -0.722 3.462 -3.742 1.00 0.00 C ATOM 0 H VAL A 5 2.751 5.479 -3.668 1.00 0.00 H new ATOM 0 HA VAL A 5 1.792 2.932 -4.776 1.00 0.00 H new ATOM 0 HB VAL A 5 1.081 3.632 -2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -0.278 5.682 -2.228 1.00 0.00 H new ATOM 0 HG12 VAL A 5 1.346 6.074 -2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -0.053 6.109 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -1.389 3.561 -2.885 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -1.170 3.948 -4.609 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -0.565 2.405 -3.959 1.00 0.00 H new ATOM 87 N VAL A 6 0.854 3.742 -6.928 1.00 0.00 N ATOM 88 CA VAL A 6 0.217 4.196 -8.193 1.00 0.00 C ATOM 89 C VAL A 6 -1.300 4.283 -8.007 1.00 0.00 C ATOM 90 O VAL A 6 -1.943 5.172 -8.526 1.00 0.00 O ATOM 91 CB VAL A 6 0.564 3.209 -9.311 1.00 0.00 C ATOM 92 CG1 VAL A 6 0.142 1.798 -8.902 1.00 0.00 C ATOM 93 CG2 VAL A 6 -0.166 3.604 -10.596 1.00 0.00 C ATOM 0 H VAL A 6 1.239 2.798 -6.953 1.00 0.00 H new ATOM 0 HA VAL A 6 0.589 5.185 -8.461 1.00 0.00 H new ATOM 0 HB VAL A 6 1.640 3.231 -9.484 1.00 0.00 H new ATOM 0 HG11 VAL A 6 0.390 1.098 -9.700 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.667 1.511 -7.991 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.933 1.777 -8.723 1.00 0.00 H new ATOM 0 HG21 VAL A 6 0.084 2.899 -11.388 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -1.242 3.588 -10.423 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.139 4.607 -10.894 1.00 0.00 H new ATOM 103 N SER A 7 -1.885 3.374 -7.271 1.00 0.00 N ATOM 104 CA SER A 7 -3.361 3.437 -7.071 1.00 0.00 C ATOM 105 C SER A 7 -3.781 2.520 -5.923 1.00 0.00 C ATOM 106 O SER A 7 -3.104 1.565 -5.596 1.00 0.00 O ATOM 107 CB SER A 7 -4.073 2.994 -8.349 1.00 0.00 C ATOM 108 OG SER A 7 -5.476 2.977 -8.119 1.00 0.00 O ATOM 0 H SER A 7 -1.411 2.600 -6.805 1.00 0.00 H new ATOM 0 HA SER A 7 -3.636 4.464 -6.830 1.00 0.00 H new ATOM 0 HB2 SER A 7 -3.834 3.674 -9.167 1.00 0.00 H new ATOM 0 HB3 SER A 7 -3.729 2.004 -8.647 1.00 0.00 H new ATOM 0 HG SER A 7 -5.938 2.695 -8.936 1.00 0.00 H new ATOM 114 N TYR A 8 -4.907 2.798 -5.324 1.00 0.00 N ATOM 115 CA TYR A 8 -5.402 1.944 -4.210 1.00 0.00 C ATOM 116 C TYR A 8 -6.924 2.057 -4.141 1.00 0.00 C ATOM 117 O TYR A 8 -7.457 3.070 -3.734 1.00 0.00 O ATOM 118 CB TYR A 8 -4.786 2.408 -2.889 1.00 0.00 C ATOM 119 CG TYR A 8 -5.399 1.627 -1.749 1.00 0.00 C ATOM 120 CD1 TYR A 8 -5.091 0.271 -1.586 1.00 0.00 C ATOM 121 CD2 TYR A 8 -6.278 2.257 -0.857 1.00 0.00 C ATOM 122 CE1 TYR A 8 -5.660 -0.454 -0.533 1.00 0.00 C ATOM 123 CE2 TYR A 8 -6.847 1.531 0.195 1.00 0.00 C ATOM 124 CZ TYR A 8 -6.537 0.175 0.358 1.00 0.00 C ATOM 125 OH TYR A 8 -7.097 -0.541 1.396 1.00 0.00 O ATOM 0 H TYR A 8 -5.509 3.587 -5.562 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.117 0.906 -4.385 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -3.706 2.260 -2.907 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -4.960 3.475 -2.749 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -4.414 -0.215 -2.273 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -6.516 3.303 -0.982 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -5.422 -1.500 -0.408 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -7.525 2.016 0.881 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.482 -1.253 1.672 1.00 0.00 H new ATOM 135 N LEU A 9 -7.629 1.024 -4.542 1.00 0.00 N ATOM 136 CA LEU A 9 -9.125 1.062 -4.510 1.00 0.00 C ATOM 137 C LEU A 9 -9.642 0.076 -3.461 1.00 0.00 C ATOM 138 O LEU A 9 -9.331 -1.098 -3.486 1.00 0.00 O ATOM 139 CB LEU A 9 -9.660 0.674 -5.891 1.00 0.00 C ATOM 140 CG LEU A 9 -9.069 1.610 -6.954 1.00 0.00 C ATOM 141 CD1 LEU A 9 -9.576 1.191 -8.338 1.00 0.00 C ATOM 142 CD2 LEU A 9 -9.485 3.065 -6.669 1.00 0.00 C ATOM 0 H LEU A 9 -7.229 0.153 -4.891 1.00 0.00 H new ATOM 0 HA LEU A 9 -9.464 2.065 -4.252 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.398 -0.360 -6.116 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.748 0.737 -5.901 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.981 1.542 -6.926 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.158 1.854 -9.095 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.268 0.166 -8.543 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.664 1.254 -8.361 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.060 3.720 -7.429 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.572 3.143 -6.689 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.118 3.363 -5.687 1.00 0.00 H new ATOM 154 N ALA A 10 -10.429 0.558 -2.542 1.00 0.00 N ATOM 155 CA ALA A 10 -10.987 -0.319 -1.476 1.00 0.00 C ATOM 156 C ALA A 10 -11.972 -1.320 -2.087 1.00 0.00 C ATOM 157 O ALA A 10 -12.096 -2.441 -1.635 1.00 0.00 O ATOM 158 CB ALA A 10 -11.714 0.554 -0.455 1.00 0.00 C ATOM 0 H ALA A 10 -10.713 1.536 -2.483 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.180 -0.869 -0.992 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -12.128 -0.075 0.333 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -11.012 1.265 -0.019 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -12.521 1.096 -0.948 1.00 0.00 H new ATOM 164 N ALA A 11 -12.688 -0.913 -3.097 1.00 0.00 N ATOM 165 CA ALA A 11 -13.685 -1.824 -3.730 1.00 0.00 C ATOM 166 C ALA A 11 -12.991 -3.090 -4.230 1.00 0.00 C ATOM 167 O ALA A 11 -13.537 -4.173 -4.173 1.00 0.00 O ATOM 168 CB ALA A 11 -14.337 -1.108 -4.911 1.00 0.00 C ATOM 0 H ALA A 11 -12.626 0.016 -3.514 1.00 0.00 H new ATOM 0 HA ALA A 11 -14.442 -2.097 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -15.067 -1.768 -5.379 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -14.837 -0.206 -4.559 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -13.573 -0.838 -5.640 1.00 0.00 H new ATOM 174 N LYS A 12 -11.793 -2.966 -4.724 1.00 0.00 N ATOM 175 CA LYS A 12 -11.069 -4.163 -5.229 1.00 0.00 C ATOM 176 C LYS A 12 -10.318 -4.794 -4.061 1.00 0.00 C ATOM 177 O LYS A 12 -9.541 -5.706 -4.233 1.00 0.00 O ATOM 178 CB LYS A 12 -10.078 -3.730 -6.314 1.00 0.00 C ATOM 179 CG LYS A 12 -10.820 -3.507 -7.639 1.00 0.00 C ATOM 180 CD LYS A 12 -11.790 -2.332 -7.494 1.00 0.00 C ATOM 181 CE LYS A 12 -12.274 -1.892 -8.874 1.00 0.00 C ATOM 182 NZ LYS A 12 -13.271 -0.794 -8.719 1.00 0.00 N ATOM 0 H LYS A 12 -11.283 -2.086 -4.800 1.00 0.00 H new ATOM 0 HA LYS A 12 -11.767 -4.884 -5.654 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.572 -2.813 -6.012 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -9.309 -4.492 -6.441 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -10.106 -3.306 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.365 -4.409 -7.918 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.639 -2.623 -6.876 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.297 -1.501 -6.989 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -11.432 -1.552 -9.476 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -12.722 -2.734 -9.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.603 -0.492 -9.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.078 -1.135 -8.159 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -12.828 0.011 -8.233 1.00 0.00 H new ATOM 196 N LYS A 13 -10.545 -4.287 -2.875 1.00 0.00 N ATOM 197 CA LYS A 13 -9.856 -4.816 -1.658 1.00 0.00 C ATOM 198 C LYS A 13 -8.349 -4.569 -1.770 1.00 0.00 C ATOM 199 O LYS A 13 -7.636 -4.604 -0.788 1.00 0.00 O ATOM 200 CB LYS A 13 -10.120 -6.318 -1.505 1.00 0.00 C ATOM 201 CG LYS A 13 -11.622 -6.587 -1.609 1.00 0.00 C ATOM 202 CD LYS A 13 -11.916 -8.040 -1.220 1.00 0.00 C ATOM 203 CE LYS A 13 -11.321 -8.995 -2.260 1.00 0.00 C ATOM 204 NZ LYS A 13 -11.923 -10.348 -2.093 1.00 0.00 N ATOM 0 H LYS A 13 -11.189 -3.517 -2.696 1.00 0.00 H new ATOM 0 HA LYS A 13 -10.247 -4.299 -0.782 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -9.587 -6.872 -2.277 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -9.743 -6.668 -0.544 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.169 -5.908 -0.955 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.966 -6.396 -2.626 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -11.496 -8.253 -0.237 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -12.993 -8.194 -1.147 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -11.514 -8.621 -3.265 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -10.239 -9.050 -2.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -11.520 -10.997 -2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -11.717 -10.704 -1.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -12.953 -10.289 -2.226 1.00 0.00 H new ATOM 218 N TYR A 14 -7.857 -4.306 -2.950 1.00 0.00 N ATOM 219 CA TYR A 14 -6.402 -4.046 -3.108 1.00 0.00 C ATOM 220 C TYR A 14 -6.164 -3.315 -4.426 1.00 0.00 C ATOM 221 O TYR A 14 -7.027 -3.267 -5.279 1.00 0.00 O ATOM 222 CB TYR A 14 -5.637 -5.369 -3.108 1.00 0.00 C ATOM 223 CG TYR A 14 -6.105 -6.231 -4.255 1.00 0.00 C ATOM 224 CD1 TYR A 14 -5.576 -6.040 -5.535 1.00 0.00 C ATOM 225 CD2 TYR A 14 -7.064 -7.225 -4.033 1.00 0.00 C ATOM 226 CE1 TYR A 14 -6.006 -6.846 -6.596 1.00 0.00 C ATOM 227 CE2 TYR A 14 -7.496 -8.030 -5.093 1.00 0.00 C ATOM 228 CZ TYR A 14 -6.967 -7.841 -6.375 1.00 0.00 C ATOM 229 OH TYR A 14 -7.389 -8.638 -7.419 1.00 0.00 O ATOM 0 H TYR A 14 -8.402 -4.260 -3.811 1.00 0.00 H new ATOM 0 HA TYR A 14 -6.049 -3.432 -2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -4.567 -5.181 -3.196 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -5.793 -5.889 -2.163 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -4.836 -5.272 -5.705 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -7.471 -7.371 -3.043 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -5.597 -6.701 -7.585 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -8.237 -8.797 -4.922 1.00 0.00 H new ATOM 0 HH TYR A 14 -8.057 -9.277 -7.093 1.00 0.00 H new ATOM 239 N GLY A 15 -4.998 -2.744 -4.599 1.00 0.00 N ATOM 240 CA GLY A 15 -4.695 -2.008 -5.866 1.00 0.00 C ATOM 241 C GLY A 15 -3.282 -2.349 -6.331 1.00 0.00 C ATOM 242 O GLY A 15 -2.877 -3.494 -6.320 1.00 0.00 O ATOM 0 H GLY A 15 -4.241 -2.756 -3.916 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -5.417 -2.278 -6.637 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.786 -0.934 -5.705 1.00 0.00 H new ATOM 246 N PHE A 16 -2.529 -1.359 -6.750 1.00 0.00 N ATOM 247 CA PHE A 16 -1.136 -1.611 -7.234 1.00 0.00 C ATOM 248 C PHE A 16 -0.176 -0.608 -6.601 1.00 0.00 C ATOM 249 O PHE A 16 -0.554 0.496 -6.254 1.00 0.00 O ATOM 250 CB PHE A 16 -1.094 -1.450 -8.753 1.00 0.00 C ATOM 251 CG PHE A 16 -1.896 -2.555 -9.395 1.00 0.00 C ATOM 252 CD1 PHE A 16 -1.329 -3.824 -9.556 1.00 0.00 C ATOM 253 CD2 PHE A 16 -3.203 -2.311 -9.830 1.00 0.00 C ATOM 254 CE1 PHE A 16 -2.069 -4.850 -10.153 1.00 0.00 C ATOM 255 CE2 PHE A 16 -3.944 -3.337 -10.427 1.00 0.00 C ATOM 256 CZ PHE A 16 -3.377 -4.607 -10.589 1.00 0.00 C ATOM 0 H PHE A 16 -2.822 -0.382 -6.777 1.00 0.00 H new ATOM 0 HA PHE A 16 -0.838 -2.622 -6.956 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -1.498 -0.479 -9.038 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -0.063 -1.482 -9.105 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -0.320 -4.011 -9.219 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -3.640 -1.331 -9.705 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -1.631 -5.829 -10.278 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -4.953 -3.149 -10.763 1.00 0.00 H new ATOM 0 HZ PHE A 16 -3.949 -5.399 -11.050 1.00 0.00 H new ATOM 266 N ILE A 17 1.071 -0.990 -6.456 1.00 0.00 N ATOM 267 CA ILE A 17 2.089 -0.076 -5.855 1.00 0.00 C ATOM 268 C ILE A 17 3.359 -0.101 -6.705 1.00 0.00 C ATOM 269 O ILE A 17 3.797 -1.142 -7.152 1.00 0.00 O ATOM 270 CB ILE A 17 2.409 -0.528 -4.429 1.00 0.00 C ATOM 271 CG1 ILE A 17 1.166 -0.350 -3.552 1.00 0.00 C ATOM 272 CG2 ILE A 17 3.557 0.316 -3.872 1.00 0.00 C ATOM 273 CD1 ILE A 17 1.387 -1.026 -2.196 1.00 0.00 C ATOM 0 H ILE A 17 1.428 -1.905 -6.732 1.00 0.00 H new ATOM 0 HA ILE A 17 1.694 0.940 -5.826 1.00 0.00 H new ATOM 0 HB ILE A 17 2.704 -1.577 -4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.958 0.711 -3.410 1.00 0.00 H new ATOM 0 HG13 ILE A 17 0.296 -0.782 -4.046 1.00 0.00 H new ATOM 0 HG21 ILE A 17 3.785 -0.006 -2.856 1.00 0.00 H new ATOM 0 HG22 ILE A 17 4.439 0.190 -4.500 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.265 1.366 -3.863 1.00 0.00 H new ATOM 0 HD11 ILE A 17 0.500 -0.896 -1.576 1.00 0.00 H new ATOM 0 HD12 ILE A 17 1.573 -2.090 -2.346 1.00 0.00 H new ATOM 0 HD13 ILE A 17 2.246 -0.574 -1.700 1.00 0.00 H new ATOM 285 N GLN A 18 3.952 1.041 -6.939 1.00 0.00 N ATOM 286 CA GLN A 18 5.191 1.086 -7.770 1.00 0.00 C ATOM 287 C GLN A 18 6.420 0.992 -6.862 1.00 0.00 C ATOM 288 O GLN A 18 6.827 1.956 -6.245 1.00 0.00 O ATOM 289 CB GLN A 18 5.228 2.400 -8.549 1.00 0.00 C ATOM 290 CG GLN A 18 6.450 2.409 -9.466 1.00 0.00 C ATOM 291 CD GLN A 18 6.435 3.670 -10.331 1.00 0.00 C ATOM 292 OE1 GLN A 18 6.485 4.771 -9.822 1.00 0.00 O ATOM 293 NE2 GLN A 18 6.364 3.553 -11.629 1.00 0.00 N ATOM 0 H GLN A 18 3.631 1.944 -6.590 1.00 0.00 H new ATOM 0 HA GLN A 18 5.194 0.248 -8.468 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.317 2.513 -9.137 1.00 0.00 H new ATOM 0 HB3 GLN A 18 5.270 3.244 -7.860 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.363 2.375 -8.872 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.448 1.522 -10.099 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.322 2.628 -12.056 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.351 4.387 -12.216 1.00 0.00 H new ATOM 302 N GLY A 19 7.005 -0.171 -6.775 1.00 0.00 N ATOM 303 CA GLY A 19 8.203 -0.352 -5.906 1.00 0.00 C ATOM 304 C GLY A 19 9.420 0.338 -6.528 1.00 0.00 C ATOM 305 O GLY A 19 9.372 0.836 -7.635 1.00 0.00 O ATOM 0 H GLY A 19 6.703 -1.009 -7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.009 0.061 -4.916 1.00 0.00 H new ATOM 0 HA3 GLY A 19 8.407 -1.414 -5.773 1.00 0.00 H new ATOM 309 N ASP A 20 10.514 0.363 -5.817 1.00 0.00 N ATOM 310 CA ASP A 20 11.748 1.010 -6.347 1.00 0.00 C ATOM 311 C ASP A 20 12.233 0.265 -7.595 1.00 0.00 C ATOM 312 O ASP A 20 12.680 0.863 -8.552 1.00 0.00 O ATOM 313 CB ASP A 20 12.833 0.952 -5.272 1.00 0.00 C ATOM 314 CG ASP A 20 13.979 1.889 -5.646 1.00 0.00 C ATOM 315 OD1 ASP A 20 13.714 2.898 -6.279 1.00 0.00 O ATOM 316 OD2 ASP A 20 15.106 1.581 -5.295 1.00 0.00 O ATOM 0 H ASP A 20 10.607 -0.040 -4.885 1.00 0.00 H new ATOM 0 HA ASP A 20 11.533 2.046 -6.611 1.00 0.00 H new ATOM 0 HB2 ASP A 20 12.417 1.238 -4.306 1.00 0.00 H new ATOM 0 HB3 ASP A 20 13.203 -0.068 -5.170 1.00 0.00 H new ATOM 321 N ASP A 21 12.155 -1.038 -7.591 1.00 0.00 N ATOM 322 CA ASP A 21 12.616 -1.817 -8.772 1.00 0.00 C ATOM 323 C ASP A 21 11.517 -1.809 -9.838 1.00 0.00 C ATOM 324 O ASP A 21 11.665 -2.372 -10.903 1.00 0.00 O ATOM 325 CB ASP A 21 12.915 -3.254 -8.337 1.00 0.00 C ATOM 326 CG ASP A 21 13.573 -4.018 -9.487 1.00 0.00 C ATOM 327 OD1 ASP A 21 14.654 -3.623 -9.893 1.00 0.00 O ATOM 328 OD2 ASP A 21 12.989 -4.990 -9.937 1.00 0.00 O ATOM 0 H ASP A 21 11.791 -1.596 -6.819 1.00 0.00 H new ATOM 0 HA ASP A 21 13.520 -1.372 -9.187 1.00 0.00 H new ATOM 0 HB2 ASP A 21 13.572 -3.251 -7.467 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.993 -3.752 -8.038 1.00 0.00 H new ATOM 333 N GLY A 22 10.412 -1.170 -9.554 1.00 0.00 N ATOM 334 CA GLY A 22 9.299 -1.119 -10.544 1.00 0.00 C ATOM 335 C GLY A 22 8.455 -2.388 -10.427 1.00 0.00 C ATOM 336 O GLY A 22 7.626 -2.673 -11.266 1.00 0.00 O ATOM 0 H GLY A 22 10.233 -0.681 -8.677 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.680 -0.240 -10.366 1.00 0.00 H new ATOM 0 HA3 GLY A 22 9.700 -1.028 -11.554 1.00 0.00 H new ATOM 340 N GLU A 23 8.660 -3.159 -9.391 1.00 0.00 N ATOM 341 CA GLU A 23 7.871 -4.414 -9.228 1.00 0.00 C ATOM 342 C GLU A 23 6.536 -4.099 -8.551 1.00 0.00 C ATOM 343 O GLU A 23 6.484 -3.459 -7.519 1.00 0.00 O ATOM 344 CB GLU A 23 8.668 -5.400 -8.373 1.00 0.00 C ATOM 345 CG GLU A 23 9.937 -5.816 -9.124 1.00 0.00 C ATOM 346 CD GLU A 23 9.557 -6.594 -10.388 1.00 0.00 C ATOM 347 OE1 GLU A 23 8.447 -7.098 -10.437 1.00 0.00 O ATOM 348 OE2 GLU A 23 10.380 -6.668 -11.284 1.00 0.00 O ATOM 0 H GLU A 23 9.339 -2.974 -8.652 1.00 0.00 H new ATOM 0 HA GLU A 23 7.677 -4.855 -10.206 1.00 0.00 H new ATOM 0 HB2 GLU A 23 8.930 -4.942 -7.419 1.00 0.00 H new ATOM 0 HB3 GLU A 23 8.061 -6.277 -8.149 1.00 0.00 H new ATOM 0 HG2 GLU A 23 10.520 -4.934 -9.390 1.00 0.00 H new ATOM 0 HG3 GLU A 23 10.566 -6.432 -8.481 1.00 0.00 H new ATOM 355 N SER A 24 5.454 -4.537 -9.135 1.00 0.00 N ATOM 356 CA SER A 24 4.116 -4.258 -8.545 1.00 0.00 C ATOM 357 C SER A 24 3.886 -5.133 -7.310 1.00 0.00 C ATOM 358 O SER A 24 4.361 -6.249 -7.230 1.00 0.00 O ATOM 359 CB SER A 24 3.044 -4.567 -9.588 1.00 0.00 C ATOM 360 OG SER A 24 3.026 -5.966 -9.839 1.00 0.00 O ATOM 0 H SER A 24 5.440 -5.078 -9.999 1.00 0.00 H new ATOM 0 HA SER A 24 4.065 -3.210 -8.248 1.00 0.00 H new ATOM 0 HB2 SER A 24 2.068 -4.237 -9.233 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.249 -4.023 -10.510 1.00 0.00 H new ATOM 0 HG SER A 24 2.338 -6.170 -10.507 1.00 0.00 H new ATOM 366 N TYR A 25 3.143 -4.634 -6.352 1.00 0.00 N ATOM 367 CA TYR A 25 2.851 -5.422 -5.115 1.00 0.00 C ATOM 368 C TYR A 25 1.361 -5.311 -4.791 1.00 0.00 C ATOM 369 O TYR A 25 0.773 -4.251 -4.875 1.00 0.00 O ATOM 370 CB TYR A 25 3.674 -4.869 -3.952 1.00 0.00 C ATOM 371 CG TYR A 25 5.136 -5.154 -4.197 1.00 0.00 C ATOM 372 CD1 TYR A 25 5.666 -6.409 -3.873 1.00 0.00 C ATOM 373 CD2 TYR A 25 5.963 -4.167 -4.747 1.00 0.00 C ATOM 374 CE1 TYR A 25 7.022 -6.676 -4.096 1.00 0.00 C ATOM 375 CE2 TYR A 25 7.319 -4.433 -4.969 1.00 0.00 C ATOM 376 CZ TYR A 25 7.849 -5.688 -4.644 1.00 0.00 C ATOM 377 OH TYR A 25 9.186 -5.951 -4.861 1.00 0.00 O ATOM 0 H TYR A 25 2.723 -3.705 -6.375 1.00 0.00 H new ATOM 0 HA TYR A 25 3.113 -6.468 -5.274 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.512 -3.795 -3.855 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.354 -5.326 -3.015 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.028 -7.171 -3.451 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.554 -3.200 -5.000 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.430 -7.644 -3.845 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.957 -3.670 -5.391 1.00 0.00 H new ATOM 0 HH TYR A 25 9.617 -5.160 -5.247 1.00 0.00 H new ATOM 387 N PHE A 26 0.745 -6.400 -4.430 1.00 0.00 N ATOM 388 CA PHE A 26 -0.707 -6.364 -4.108 1.00 0.00 C ATOM 389 C PHE A 26 -0.908 -5.823 -2.694 1.00 0.00 C ATOM 390 O PHE A 26 -0.190 -6.178 -1.780 1.00 0.00 O ATOM 391 CB PHE A 26 -1.265 -7.782 -4.199 1.00 0.00 C ATOM 392 CG PHE A 26 -1.373 -8.181 -5.650 1.00 0.00 C ATOM 393 CD1 PHE A 26 -2.540 -7.895 -6.367 1.00 0.00 C ATOM 394 CD2 PHE A 26 -0.305 -8.831 -6.280 1.00 0.00 C ATOM 395 CE1 PHE A 26 -2.641 -8.259 -7.714 1.00 0.00 C ATOM 396 CE2 PHE A 26 -0.406 -9.196 -7.628 1.00 0.00 C ATOM 397 CZ PHE A 26 -1.574 -8.910 -8.345 1.00 0.00 C ATOM 0 H PHE A 26 1.186 -7.316 -4.344 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.226 -5.715 -4.813 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.615 -8.476 -3.666 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -2.244 -7.832 -3.722 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -3.363 -7.393 -5.880 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.596 -9.051 -5.727 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -3.542 -8.038 -8.267 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.417 -9.698 -8.115 1.00 0.00 H new ATOM 0 HZ PHE A 26 -1.652 -9.192 -9.385 1.00 0.00 H new ATOM 407 N LEU A 27 -1.885 -4.968 -2.507 1.00 0.00 N ATOM 408 CA LEU A 27 -2.148 -4.396 -1.150 1.00 0.00 C ATOM 409 C LEU A 27 -3.460 -4.980 -0.613 1.00 0.00 C ATOM 410 O LEU A 27 -4.525 -4.437 -0.821 1.00 0.00 O ATOM 411 CB LEU A 27 -2.259 -2.868 -1.276 1.00 0.00 C ATOM 412 CG LEU A 27 -1.910 -2.209 0.060 1.00 0.00 C ATOM 413 CD1 LEU A 27 -2.051 -0.690 -0.062 1.00 0.00 C ATOM 414 CD2 LEU A 27 -2.848 -2.733 1.154 1.00 0.00 C ATOM 0 H LEU A 27 -2.514 -4.641 -3.240 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.339 -4.644 -0.463 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.587 -2.509 -2.055 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.270 -2.591 -1.575 1.00 0.00 H new ATOM 0 HG LEU A 27 -0.881 -2.452 0.324 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.802 -0.224 0.891 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -1.374 -0.323 -0.834 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.077 -0.440 -0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.597 -2.262 2.105 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.879 -2.497 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.735 -3.813 1.243 1.00 0.00 H new ATOM 426 N HIS A 28 -3.387 -6.092 0.070 1.00 0.00 N ATOM 427 CA HIS A 28 -4.624 -6.730 0.614 1.00 0.00 C ATOM 428 C HIS A 28 -4.836 -6.317 2.073 1.00 0.00 C ATOM 429 O HIS A 28 -3.947 -5.803 2.722 1.00 0.00 O ATOM 430 CB HIS A 28 -4.471 -8.250 0.534 1.00 0.00 C ATOM 431 CG HIS A 28 -5.802 -8.904 0.780 1.00 0.00 C ATOM 432 ND1 HIS A 28 -6.160 -9.409 2.020 1.00 0.00 N ATOM 433 CD2 HIS A 28 -6.873 -9.143 -0.045 1.00 0.00 C ATOM 434 CE1 HIS A 28 -7.398 -9.923 1.906 1.00 0.00 C ATOM 435 NE2 HIS A 28 -7.879 -9.787 0.667 1.00 0.00 N ATOM 0 H HIS A 28 -2.520 -6.589 0.276 1.00 0.00 H new ATOM 0 HA HIS A 28 -5.485 -6.406 0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -4.089 -8.536 -0.446 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -3.745 -8.592 1.271 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -6.926 -8.872 -1.089 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.937 -10.389 2.717 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.788 -10.090 0.318 1.00 0.00 H new ATOM 443 N PHE A 29 -6.013 -6.545 2.589 1.00 0.00 N ATOM 444 CA PHE A 29 -6.307 -6.181 4.004 1.00 0.00 C ATOM 445 C PHE A 29 -5.424 -7.008 4.947 1.00 0.00 C ATOM 446 O PHE A 29 -4.925 -6.519 5.940 1.00 0.00 O ATOM 447 CB PHE A 29 -7.775 -6.487 4.303 1.00 0.00 C ATOM 448 CG PHE A 29 -8.672 -5.550 3.522 1.00 0.00 C ATOM 449 CD1 PHE A 29 -8.648 -4.176 3.792 1.00 0.00 C ATOM 450 CD2 PHE A 29 -9.534 -6.053 2.536 1.00 0.00 C ATOM 451 CE1 PHE A 29 -9.481 -3.307 3.078 1.00 0.00 C ATOM 452 CE2 PHE A 29 -10.368 -5.181 1.825 1.00 0.00 C ATOM 453 CZ PHE A 29 -10.341 -3.809 2.095 1.00 0.00 C ATOM 0 H PHE A 29 -6.791 -6.972 2.086 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.105 -5.120 4.154 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -8.000 -7.521 4.041 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -7.967 -6.380 5.371 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -7.986 -3.787 4.552 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -9.554 -7.112 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -9.460 -2.247 3.286 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -11.033 -5.569 1.067 1.00 0.00 H new ATOM 0 HZ PHE A 29 -10.984 -3.137 1.545 1.00 0.00 H new ATOM 463 N SER A 30 -5.245 -8.264 4.647 1.00 0.00 N ATOM 464 CA SER A 30 -4.416 -9.141 5.522 1.00 0.00 C ATOM 465 C SER A 30 -2.978 -8.621 5.580 1.00 0.00 C ATOM 466 O SER A 30 -2.220 -8.969 6.463 1.00 0.00 O ATOM 467 CB SER A 30 -4.423 -10.559 4.955 1.00 0.00 C ATOM 468 OG SER A 30 -3.397 -11.319 5.577 1.00 0.00 O ATOM 0 H SER A 30 -5.640 -8.725 3.827 1.00 0.00 H new ATOM 0 HA SER A 30 -4.831 -9.141 6.530 1.00 0.00 H new ATOM 0 HB2 SER A 30 -5.393 -11.027 5.127 1.00 0.00 H new ATOM 0 HB3 SER A 30 -4.268 -10.532 3.876 1.00 0.00 H new ATOM 0 HG SER A 30 -3.400 -12.230 5.216 1.00 0.00 H new ATOM 474 N GLU A 31 -2.590 -7.797 4.647 1.00 0.00 N ATOM 475 CA GLU A 31 -1.196 -7.269 4.656 1.00 0.00 C ATOM 476 C GLU A 31 -1.119 -6.055 5.581 1.00 0.00 C ATOM 477 O GLU A 31 -0.057 -5.517 5.823 1.00 0.00 O ATOM 478 CB GLU A 31 -0.811 -6.852 3.236 1.00 0.00 C ATOM 479 CG GLU A 31 -0.717 -8.096 2.349 1.00 0.00 C ATOM 480 CD GLU A 31 -0.436 -7.677 0.906 1.00 0.00 C ATOM 481 OE1 GLU A 31 -0.349 -6.486 0.661 1.00 0.00 O ATOM 482 OE2 GLU A 31 -0.313 -8.556 0.068 1.00 0.00 O ATOM 0 H GLU A 31 -3.176 -7.467 3.880 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.512 -8.039 5.012 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.552 -6.161 2.835 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.144 -6.326 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 31 0.075 -8.752 2.709 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.647 -8.662 2.399 1.00 0.00 H new ATOM 489 N LEU A 32 -2.238 -5.619 6.104 1.00 0.00 N ATOM 490 CA LEU A 32 -2.236 -4.437 7.020 1.00 0.00 C ATOM 491 C LEU A 32 -2.316 -4.905 8.472 1.00 0.00 C ATOM 492 O LEU A 32 -3.210 -5.634 8.855 1.00 0.00 O ATOM 493 CB LEU A 32 -3.444 -3.551 6.702 1.00 0.00 C ATOM 494 CG LEU A 32 -3.347 -3.033 5.260 1.00 0.00 C ATOM 495 CD1 LEU A 32 -4.619 -2.250 4.920 1.00 0.00 C ATOM 496 CD2 LEU A 32 -2.119 -2.114 5.103 1.00 0.00 C ATOM 0 H LEU A 32 -3.155 -6.032 5.935 1.00 0.00 H new ATOM 0 HA LEU A 32 -1.316 -3.871 6.878 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -4.366 -4.118 6.833 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.484 -2.712 7.397 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.240 -3.880 4.583 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.556 -1.880 3.897 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.486 -2.904 5.016 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.722 -1.408 5.605 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.063 -1.754 4.076 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -2.211 -1.265 5.780 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -1.214 -2.672 5.342 1.00 0.00 H new ATOM 508 N LEU A 33 -1.390 -4.482 9.286 1.00 0.00 N ATOM 509 CA LEU A 33 -1.413 -4.886 10.716 1.00 0.00 C ATOM 510 C LEU A 33 -2.680 -4.321 11.359 1.00 0.00 C ATOM 511 O LEU A 33 -3.344 -4.981 12.132 1.00 0.00 O ATOM 512 CB LEU A 33 -0.178 -4.319 11.419 1.00 0.00 C ATOM 513 CG LEU A 33 1.083 -4.710 10.640 1.00 0.00 C ATOM 514 CD1 LEU A 33 2.313 -4.110 11.328 1.00 0.00 C ATOM 515 CD2 LEU A 33 1.217 -6.240 10.588 1.00 0.00 C ATOM 0 H LEU A 33 -0.617 -3.872 9.020 1.00 0.00 H new ATOM 0 HA LEU A 33 -1.407 -5.972 10.804 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.253 -3.234 11.488 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -0.121 -4.700 12.439 1.00 0.00 H new ATOM 0 HG LEU A 33 1.009 -4.326 9.623 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.211 -4.387 10.775 1.00 0.00 H new ATOM 0 HD12 LEU A 33 2.223 -3.024 11.352 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.382 -4.491 12.347 1.00 0.00 H new ATOM 0 HD21 LEU A 33 2.116 -6.508 10.033 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.286 -6.634 11.602 1.00 0.00 H new ATOM 0 HD23 LEU A 33 0.344 -6.665 10.093 1.00 0.00 H new ATOM 527 N ASP A 34 -3.020 -3.096 11.031 1.00 0.00 N ATOM 528 CA ASP A 34 -4.251 -2.459 11.598 1.00 0.00 C ATOM 529 C ASP A 34 -5.072 -1.846 10.460 1.00 0.00 C ATOM 530 O ASP A 34 -4.645 -0.916 9.806 1.00 0.00 O ATOM 531 CB ASP A 34 -3.851 -1.363 12.591 1.00 0.00 C ATOM 532 CG ASP A 34 -3.314 -2.009 13.871 1.00 0.00 C ATOM 533 OD1 ASP A 34 -3.513 -3.201 14.038 1.00 0.00 O ATOM 534 OD2 ASP A 34 -2.713 -1.301 14.662 1.00 0.00 O ATOM 0 H ASP A 34 -2.492 -2.506 10.389 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.847 -3.211 12.114 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -3.092 -0.717 12.150 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -4.711 -0.734 12.821 1.00 0.00 H new ATOM 539 N LYS A 35 -6.245 -2.364 10.216 1.00 0.00 N ATOM 540 CA LYS A 35 -7.091 -1.814 9.121 1.00 0.00 C ATOM 541 C LYS A 35 -7.476 -0.368 9.454 1.00 0.00 C ATOM 542 O LYS A 35 -7.983 0.359 8.623 1.00 0.00 O ATOM 543 CB LYS A 35 -8.357 -2.664 8.991 1.00 0.00 C ATOM 544 CG LYS A 35 -7.985 -4.079 8.532 1.00 0.00 C ATOM 545 CD LYS A 35 -9.257 -4.875 8.208 1.00 0.00 C ATOM 546 CE LYS A 35 -10.050 -5.158 9.489 1.00 0.00 C ATOM 547 NZ LYS A 35 -11.054 -6.229 9.223 1.00 0.00 N ATOM 0 H LYS A 35 -6.654 -3.145 10.729 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.539 -1.834 8.182 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.878 -2.707 9.948 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.041 -2.207 8.276 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.343 -4.028 7.652 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -7.417 -4.586 9.312 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.875 -4.315 7.506 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -8.992 -5.814 7.721 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.375 -5.467 10.287 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.550 -4.251 9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.593 -6.423 10.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.704 -5.917 8.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.565 -7.095 8.919 1.00 0.00 H new ATOM 561 N LYS A 36 -7.235 0.051 10.666 1.00 0.00 N ATOM 562 CA LYS A 36 -7.576 1.447 11.065 1.00 0.00 C ATOM 563 C LYS A 36 -6.730 2.429 10.247 1.00 0.00 C ATOM 564 O LYS A 36 -7.191 3.476 9.841 1.00 0.00 O ATOM 565 CB LYS A 36 -7.278 1.636 12.553 1.00 0.00 C ATOM 566 CG LYS A 36 -8.238 0.780 13.385 1.00 0.00 C ATOM 567 CD LYS A 36 -7.925 0.966 14.872 1.00 0.00 C ATOM 568 CE LYS A 36 -8.928 0.171 15.711 1.00 0.00 C ATOM 569 NZ LYS A 36 -8.794 -1.281 15.403 1.00 0.00 N ATOM 0 H LYS A 36 -6.814 -0.517 11.402 1.00 0.00 H new ATOM 0 HA LYS A 36 -8.634 1.633 10.879 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.247 1.354 12.766 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.384 2.686 12.824 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.269 1.067 13.180 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.139 -0.270 13.110 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -6.910 0.630 15.085 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.973 2.023 15.135 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.750 0.346 16.772 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.943 0.507 15.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.235 -1.839 16.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.267 -1.490 14.501 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -7.787 -1.529 15.331 1.00 0.00 H new ATOM 583 N ASP A 37 -5.490 2.095 10.012 1.00 0.00 N ATOM 584 CA ASP A 37 -4.600 2.998 9.229 1.00 0.00 C ATOM 585 C ASP A 37 -5.057 3.022 7.769 1.00 0.00 C ATOM 586 O ASP A 37 -4.537 3.762 6.958 1.00 0.00 O ATOM 587 CB ASP A 37 -3.161 2.485 9.304 1.00 0.00 C ATOM 588 CG ASP A 37 -2.607 2.703 10.714 1.00 0.00 C ATOM 589 OD1 ASP A 37 -3.275 3.357 11.498 1.00 0.00 O ATOM 590 OD2 ASP A 37 -1.524 2.213 10.984 1.00 0.00 O ATOM 0 H ASP A 37 -5.053 1.230 10.331 1.00 0.00 H new ATOM 0 HA ASP A 37 -4.649 4.005 9.642 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -3.129 1.425 9.050 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.541 3.006 8.575 1.00 0.00 H new ATOM 595 N GLU A 38 -6.022 2.213 7.429 1.00 0.00 N ATOM 596 CA GLU A 38 -6.515 2.179 6.022 1.00 0.00 C ATOM 597 C GLU A 38 -6.982 3.576 5.606 1.00 0.00 C ATOM 598 O GLU A 38 -6.764 4.006 4.491 1.00 0.00 O ATOM 599 CB GLU A 38 -7.696 1.209 5.932 1.00 0.00 C ATOM 600 CG GLU A 38 -8.183 1.112 4.483 1.00 0.00 C ATOM 601 CD GLU A 38 -9.332 0.106 4.398 1.00 0.00 C ATOM 602 OE1 GLU A 38 -9.509 -0.644 5.344 1.00 0.00 O ATOM 603 OE2 GLU A 38 -10.016 0.102 3.388 1.00 0.00 O ATOM 0 H GLU A 38 -6.493 1.571 8.067 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.711 1.854 5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -7.397 0.224 6.291 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -8.507 1.550 6.575 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -8.515 2.090 4.133 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.365 0.802 3.833 1.00 0.00 H new ATOM 610 N GLY A 39 -7.631 4.283 6.488 1.00 0.00 N ATOM 611 CA GLY A 39 -8.122 5.645 6.134 1.00 0.00 C ATOM 612 C GLY A 39 -6.973 6.652 6.218 1.00 0.00 C ATOM 613 O GLY A 39 -7.105 7.789 5.813 1.00 0.00 O ATOM 0 H GLY A 39 -7.843 3.978 7.438 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.540 5.640 5.127 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.925 5.939 6.811 1.00 0.00 H new ATOM 617 N LYS A 40 -5.846 6.246 6.740 1.00 0.00 N ATOM 618 CA LYS A 40 -4.683 7.179 6.852 1.00 0.00 C ATOM 619 C LYS A 40 -3.750 6.964 5.653 1.00 0.00 C ATOM 620 O LYS A 40 -2.736 7.616 5.520 1.00 0.00 O ATOM 621 CB LYS A 40 -3.929 6.881 8.158 1.00 0.00 C ATOM 622 CG LYS A 40 -4.607 7.596 9.336 1.00 0.00 C ATOM 623 CD LYS A 40 -6.037 7.077 9.503 1.00 0.00 C ATOM 624 CE LYS A 40 -6.624 7.605 10.814 1.00 0.00 C ATOM 625 NZ LYS A 40 -6.804 9.080 10.718 1.00 0.00 N ATOM 0 H LYS A 40 -5.679 5.305 7.095 1.00 0.00 H new ATOM 0 HA LYS A 40 -5.029 8.213 6.859 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.909 5.806 8.338 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -2.893 7.209 8.071 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.040 7.427 10.251 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -4.619 8.672 9.162 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -6.652 7.398 8.662 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -6.041 5.987 9.504 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -7.581 7.123 11.017 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -5.962 7.362 11.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -7.355 9.416 11.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.873 9.544 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -7.310 9.312 9.839 1.00 0.00 H new ATOM 639 N LEU A 41 -4.085 6.051 4.784 1.00 0.00 N ATOM 640 CA LEU A 41 -3.216 5.791 3.603 1.00 0.00 C ATOM 641 C LEU A 41 -3.193 7.027 2.707 1.00 0.00 C ATOM 642 O LEU A 41 -4.165 7.748 2.610 1.00 0.00 O ATOM 643 CB LEU A 41 -3.777 4.602 2.820 1.00 0.00 C ATOM 644 CG LEU A 41 -3.770 3.350 3.706 1.00 0.00 C ATOM 645 CD1 LEU A 41 -4.476 2.207 2.970 1.00 0.00 C ATOM 646 CD2 LEU A 41 -2.323 2.936 4.039 1.00 0.00 C ATOM 0 H LEU A 41 -4.924 5.473 4.841 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.202 5.566 3.934 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -4.792 4.819 2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.180 4.429 1.925 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.293 3.569 4.637 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.473 1.315 3.596 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -5.505 2.495 2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.953 1.997 2.037 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.335 2.046 4.668 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.785 2.721 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -1.825 3.748 4.568 1.00 0.00 H new ATOM 658 N VAL A 42 -2.080 7.281 2.055 1.00 0.00 N ATOM 659 CA VAL A 42 -1.973 8.482 1.166 1.00 0.00 C ATOM 660 C VAL A 42 -1.791 8.031 -0.284 1.00 0.00 C ATOM 661 O VAL A 42 -0.842 7.356 -0.631 1.00 0.00 O ATOM 662 CB VAL A 42 -0.769 9.324 1.601 1.00 0.00 C ATOM 663 CG1 VAL A 42 0.507 8.471 1.590 1.00 0.00 C ATOM 664 CG2 VAL A 42 -0.613 10.507 0.643 1.00 0.00 C ATOM 0 H VAL A 42 -1.239 6.705 2.102 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.882 9.079 1.243 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.932 9.691 2.614 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.355 9.081 1.901 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.391 7.634 2.278 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.683 8.092 0.583 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.242 11.111 0.947 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.454 10.137 -0.370 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -1.516 11.118 0.669 1.00 0.00 H new ATOM 674 N LYS A 43 -2.716 8.397 -1.130 1.00 0.00 N ATOM 675 CA LYS A 43 -2.647 8.000 -2.566 1.00 0.00 C ATOM 676 C LYS A 43 -1.933 9.075 -3.390 1.00 0.00 C ATOM 677 O LYS A 43 -2.133 10.258 -3.195 1.00 0.00 O ATOM 678 CB LYS A 43 -4.070 7.821 -3.095 1.00 0.00 C ATOM 679 CG LYS A 43 -4.027 7.336 -4.549 1.00 0.00 C ATOM 680 CD LYS A 43 -5.453 7.177 -5.090 1.00 0.00 C ATOM 681 CE LYS A 43 -6.115 5.921 -4.509 1.00 0.00 C ATOM 682 NZ LYS A 43 -7.329 5.594 -5.310 1.00 0.00 N ATOM 0 H LYS A 43 -3.528 8.962 -0.883 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.088 7.068 -2.652 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.609 7.102 -2.478 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.612 8.765 -3.033 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.474 8.047 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -3.498 6.385 -4.608 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -6.044 8.057 -4.836 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.430 7.112 -6.178 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.416 5.085 -4.527 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -6.386 6.087 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -7.754 4.715 -4.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -8.018 6.369 -5.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.063 5.470 -6.308 1.00 0.00 H new ATOM 696 N GLY A 44 -1.123 8.667 -4.333 1.00 0.00 N ATOM 697 CA GLY A 44 -0.418 9.656 -5.197 1.00 0.00 C ATOM 698 C GLY A 44 0.841 10.171 -4.501 1.00 0.00 C ATOM 699 O GLY A 44 1.302 11.259 -4.776 1.00 0.00 O ATOM 0 H GLY A 44 -0.920 7.689 -4.541 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.152 9.193 -6.147 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -1.083 10.490 -5.423 1.00 0.00 H new ATOM 703 N SER A 45 1.407 9.408 -3.598 1.00 0.00 N ATOM 704 CA SER A 45 2.639 9.885 -2.894 1.00 0.00 C ATOM 705 C SER A 45 3.555 8.706 -2.553 1.00 0.00 C ATOM 706 O SER A 45 3.414 7.618 -3.076 1.00 0.00 O ATOM 707 CB SER A 45 2.244 10.602 -1.605 1.00 0.00 C ATOM 708 OG SER A 45 3.342 11.382 -1.151 1.00 0.00 O ATOM 0 H SER A 45 1.074 8.485 -3.320 1.00 0.00 H new ATOM 0 HA SER A 45 3.173 10.569 -3.553 1.00 0.00 H new ATOM 0 HB2 SER A 45 1.377 11.239 -1.780 1.00 0.00 H new ATOM 0 HB3 SER A 45 1.958 9.876 -0.844 1.00 0.00 H new ATOM 0 HG SER A 45 3.094 11.846 -0.324 1.00 0.00 H new ATOM 714 N MET A 46 4.505 8.933 -1.683 1.00 0.00 N ATOM 715 CA MET A 46 5.456 7.853 -1.296 1.00 0.00 C ATOM 716 C MET A 46 4.836 6.957 -0.224 1.00 0.00 C ATOM 717 O MET A 46 4.177 7.424 0.683 1.00 0.00 O ATOM 718 CB MET A 46 6.734 8.489 -0.752 1.00 0.00 C ATOM 719 CG MET A 46 7.463 9.207 -1.888 1.00 0.00 C ATOM 720 SD MET A 46 8.918 10.062 -1.229 1.00 0.00 S ATOM 721 CE MET A 46 9.856 8.594 -0.733 1.00 0.00 C ATOM 0 H MET A 46 4.662 9.829 -1.221 1.00 0.00 H new ATOM 0 HA MET A 46 5.683 7.244 -2.171 1.00 0.00 H new ATOM 0 HB2 MET A 46 6.493 9.194 0.044 1.00 0.00 H new ATOM 0 HB3 MET A 46 7.378 7.725 -0.317 1.00 0.00 H new ATOM 0 HG2 MET A 46 7.765 8.490 -2.651 1.00 0.00 H new ATOM 0 HG3 MET A 46 6.795 9.922 -2.368 1.00 0.00 H new ATOM 0 HE1 MET A 46 10.901 8.864 -0.580 1.00 0.00 H new ATOM 0 HE2 MET A 46 9.445 8.196 0.195 1.00 0.00 H new ATOM 0 HE3 MET A 46 9.788 7.837 -1.515 1.00 0.00 H new ATOM 731 N VAL A 47 5.056 5.666 -0.320 1.00 0.00 N ATOM 732 CA VAL A 47 4.497 4.715 0.693 1.00 0.00 C ATOM 733 C VAL A 47 5.596 3.754 1.142 1.00 0.00 C ATOM 734 O VAL A 47 6.353 3.237 0.343 1.00 0.00 O ATOM 735 CB VAL A 47 3.339 3.926 0.072 1.00 0.00 C ATOM 736 CG1 VAL A 47 2.089 4.809 0.028 1.00 0.00 C ATOM 737 CG2 VAL A 47 3.714 3.502 -1.352 1.00 0.00 C ATOM 0 H VAL A 47 5.602 5.228 -1.062 1.00 0.00 H new ATOM 0 HA VAL A 47 4.128 5.272 1.554 1.00 0.00 H new ATOM 0 HB VAL A 47 3.139 3.039 0.674 1.00 0.00 H new ATOM 0 HG11 VAL A 47 1.264 4.250 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.822 5.112 1.040 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.290 5.695 -0.574 1.00 0.00 H new ATOM 0 HG21 VAL A 47 2.890 2.941 -1.793 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.914 4.388 -1.955 1.00 0.00 H new ATOM 0 HG23 VAL A 47 4.605 2.875 -1.322 1.00 0.00 H new ATOM 747 N HIS A 48 5.692 3.515 2.422 1.00 0.00 N ATOM 748 CA HIS A 48 6.742 2.595 2.941 1.00 0.00 C ATOM 749 C HIS A 48 6.167 1.185 3.082 1.00 0.00 C ATOM 750 O HIS A 48 5.129 0.985 3.680 1.00 0.00 O ATOM 751 CB HIS A 48 7.215 3.091 4.305 1.00 0.00 C ATOM 752 CG HIS A 48 8.358 2.232 4.767 1.00 0.00 C ATOM 753 ND1 HIS A 48 8.201 1.247 5.730 1.00 0.00 N ATOM 754 CD2 HIS A 48 9.678 2.187 4.395 1.00 0.00 C ATOM 755 CE1 HIS A 48 9.397 0.655 5.901 1.00 0.00 C ATOM 756 NE2 HIS A 48 10.333 1.190 5.113 1.00 0.00 N ATOM 0 H HIS A 48 5.084 3.920 3.134 1.00 0.00 H new ATOM 0 HA HIS A 48 7.582 2.573 2.247 1.00 0.00 H new ATOM 0 HB2 HIS A 48 7.529 4.133 4.239 1.00 0.00 H new ATOM 0 HB3 HIS A 48 6.398 3.050 5.025 1.00 0.00 H new ATOM 0 HD2 HIS A 48 10.139 2.827 3.658 1.00 0.00 H new ATOM 0 HE1 HIS A 48 9.578 -0.155 6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 48 11.316 0.925 5.051 1.00 0.00 H new ATOM 764 N PHE A 49 6.838 0.204 2.538 1.00 0.00 N ATOM 765 CA PHE A 49 6.339 -1.199 2.637 1.00 0.00 C ATOM 766 C PHE A 49 7.522 -2.150 2.777 1.00 0.00 C ATOM 767 O PHE A 49 8.626 -1.838 2.376 1.00 0.00 O ATOM 768 CB PHE A 49 5.541 -1.550 1.379 1.00 0.00 C ATOM 769 CG PHE A 49 6.423 -1.423 0.159 1.00 0.00 C ATOM 770 CD1 PHE A 49 6.530 -0.191 -0.498 1.00 0.00 C ATOM 771 CD2 PHE A 49 7.124 -2.536 -0.322 1.00 0.00 C ATOM 772 CE1 PHE A 49 7.340 -0.070 -1.634 1.00 0.00 C ATOM 773 CE2 PHE A 49 7.932 -2.415 -1.460 1.00 0.00 C ATOM 774 CZ PHE A 49 8.040 -1.182 -2.115 1.00 0.00 C ATOM 0 H PHE A 49 7.714 0.315 2.027 1.00 0.00 H new ATOM 0 HA PHE A 49 5.693 -1.294 3.510 1.00 0.00 H new ATOM 0 HB2 PHE A 49 5.154 -2.566 1.455 1.00 0.00 H new ATOM 0 HB3 PHE A 49 4.680 -0.887 1.287 1.00 0.00 H new ATOM 0 HD1 PHE A 49 5.987 0.667 -0.128 1.00 0.00 H new ATOM 0 HD2 PHE A 49 7.042 -3.487 0.184 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.424 0.881 -2.139 1.00 0.00 H new ATOM 0 HE2 PHE A 49 8.472 -3.273 -1.832 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.664 -1.089 -2.992 1.00 0.00 H new ATOM 784 N ASP A 50 7.302 -3.310 3.346 1.00 0.00 N ATOM 785 CA ASP A 50 8.410 -4.298 3.520 1.00 0.00 C ATOM 786 C ASP A 50 8.181 -5.492 2.570 1.00 0.00 C ATOM 787 O ASP A 50 7.268 -6.267 2.770 1.00 0.00 O ATOM 788 CB ASP A 50 8.414 -4.802 4.955 1.00 0.00 C ATOM 789 CG ASP A 50 8.227 -3.617 5.903 1.00 0.00 C ATOM 790 OD1 ASP A 50 7.117 -3.118 5.981 1.00 0.00 O ATOM 791 OD2 ASP A 50 9.199 -3.222 6.524 1.00 0.00 O ATOM 0 H ASP A 50 6.396 -3.616 3.700 1.00 0.00 H new ATOM 0 HA ASP A 50 9.363 -3.821 3.293 1.00 0.00 H new ATOM 0 HB2 ASP A 50 7.615 -5.529 5.100 1.00 0.00 H new ATOM 0 HB3 ASP A 50 9.353 -5.312 5.172 1.00 0.00 H new ATOM 796 N PRO A 51 8.996 -5.653 1.551 1.00 0.00 N ATOM 797 CA PRO A 51 8.855 -6.788 0.584 1.00 0.00 C ATOM 798 C PRO A 51 8.767 -8.146 1.282 1.00 0.00 C ATOM 799 O PRO A 51 9.361 -8.359 2.320 1.00 0.00 O ATOM 800 CB PRO A 51 10.135 -6.710 -0.263 1.00 0.00 C ATOM 801 CG PRO A 51 10.579 -5.288 -0.167 1.00 0.00 C ATOM 802 CD PRO A 51 10.125 -4.777 1.196 1.00 0.00 C ATOM 0 HA PRO A 51 7.937 -6.704 0.002 1.00 0.00 H new ATOM 0 HB2 PRO A 51 10.900 -7.388 0.115 1.00 0.00 H new ATOM 0 HB3 PRO A 51 9.941 -6.993 -1.297 1.00 0.00 H new ATOM 0 HG2 PRO A 51 11.662 -5.213 -0.267 1.00 0.00 H new ATOM 0 HG3 PRO A 51 10.143 -4.692 -0.969 1.00 0.00 H new ATOM 0 HD2 PRO A 51 10.926 -4.841 1.933 1.00 0.00 H new ATOM 0 HD3 PRO A 51 9.819 -3.732 1.148 1.00 0.00 H new ATOM 810 N THR A 52 8.022 -9.064 0.714 1.00 0.00 N ATOM 811 CA THR A 52 7.876 -10.416 1.331 1.00 0.00 C ATOM 812 C THR A 52 8.620 -11.450 0.471 1.00 0.00 C ATOM 813 O THR A 52 8.735 -11.295 -0.729 1.00 0.00 O ATOM 814 CB THR A 52 6.389 -10.777 1.380 1.00 0.00 C ATOM 815 OG1 THR A 52 5.769 -10.377 0.166 1.00 0.00 O ATOM 816 CG2 THR A 52 5.728 -10.057 2.554 1.00 0.00 C ATOM 0 H THR A 52 7.506 -8.932 -0.156 1.00 0.00 H new ATOM 0 HA THR A 52 8.293 -10.413 2.338 1.00 0.00 H new ATOM 0 HB THR A 52 6.278 -11.854 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 52 5.554 -9.422 0.208 1.00 0.00 H new ATOM 0 HG21 THR A 52 4.669 -10.314 2.589 1.00 0.00 H new ATOM 0 HG22 THR A 52 6.207 -10.363 3.484 1.00 0.00 H new ATOM 0 HG23 THR A 52 5.836 -8.980 2.428 1.00 0.00 H new ATOM 824 N PRO A 53 9.117 -12.501 1.078 1.00 0.00 N ATOM 825 CA PRO A 53 9.854 -13.572 0.345 1.00 0.00 C ATOM 826 C PRO A 53 8.936 -14.342 -0.615 1.00 0.00 C ATOM 827 O PRO A 53 8.354 -15.350 -0.265 1.00 0.00 O ATOM 828 CB PRO A 53 10.401 -14.485 1.460 1.00 0.00 C ATOM 829 CG PRO A 53 9.533 -14.222 2.654 1.00 0.00 C ATOM 830 CD PRO A 53 9.034 -12.782 2.521 1.00 0.00 C ATOM 0 HA PRO A 53 10.645 -13.168 -0.287 1.00 0.00 H new ATOM 0 HB2 PRO A 53 10.357 -15.534 1.166 1.00 0.00 H new ATOM 0 HB3 PRO A 53 11.445 -14.258 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 53 8.697 -14.921 2.687 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.095 -14.354 3.579 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.013 -12.679 2.888 1.00 0.00 H new ATOM 0 HD3 PRO A 53 9.651 -12.092 3.097 1.00 0.00 H new ATOM 838 N THR A 54 8.812 -13.871 -1.825 1.00 0.00 N ATOM 839 CA THR A 54 7.945 -14.565 -2.817 1.00 0.00 C ATOM 840 C THR A 54 8.162 -13.934 -4.195 1.00 0.00 C ATOM 841 O THR A 54 7.398 -13.091 -4.624 1.00 0.00 O ATOM 842 CB THR A 54 6.472 -14.417 -2.417 1.00 0.00 C ATOM 843 OG1 THR A 54 5.649 -14.627 -3.557 1.00 0.00 O ATOM 844 CG2 THR A 54 6.222 -13.016 -1.861 1.00 0.00 C ATOM 0 H THR A 54 9.276 -13.031 -2.170 1.00 0.00 H new ATOM 0 HA THR A 54 8.202 -15.624 -2.846 1.00 0.00 H new ATOM 0 HB THR A 54 6.233 -15.155 -1.651 1.00 0.00 H new ATOM 0 HG1 THR A 54 5.761 -13.882 -4.183 1.00 0.00 H new ATOM 0 HG21 THR A 54 5.174 -12.918 -1.579 1.00 0.00 H new ATOM 0 HG22 THR A 54 6.850 -12.855 -0.985 1.00 0.00 H new ATOM 0 HG23 THR A 54 6.464 -12.274 -2.622 1.00 0.00 H new ATOM 852 N PRO A 55 9.196 -14.341 -4.886 1.00 0.00 N ATOM 853 CA PRO A 55 9.517 -13.810 -6.243 1.00 0.00 C ATOM 854 C PRO A 55 8.326 -13.942 -7.191 1.00 0.00 C ATOM 855 O PRO A 55 8.137 -13.136 -8.080 1.00 0.00 O ATOM 856 CB PRO A 55 10.686 -14.694 -6.711 1.00 0.00 C ATOM 857 CG PRO A 55 11.324 -15.177 -5.450 1.00 0.00 C ATOM 858 CD PRO A 55 10.181 -15.346 -4.451 1.00 0.00 C ATOM 0 HA PRO A 55 9.762 -12.748 -6.227 1.00 0.00 H new ATOM 0 HB2 PRO A 55 10.334 -15.526 -7.321 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.391 -14.128 -7.320 1.00 0.00 H new ATOM 0 HG2 PRO A 55 11.847 -16.120 -5.611 1.00 0.00 H new ATOM 0 HG3 PRO A 55 12.061 -14.462 -5.085 1.00 0.00 H new ATOM 0 HD2 PRO A 55 9.767 -16.354 -4.481 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.512 -15.168 -3.428 1.00 0.00 H new ATOM 866 N LYS A 56 7.525 -14.960 -7.001 1.00 0.00 N ATOM 867 CA LYS A 56 6.335 -15.173 -7.880 1.00 0.00 C ATOM 868 C LYS A 56 5.061 -14.912 -7.080 1.00 0.00 C ATOM 869 O LYS A 56 4.664 -15.700 -6.245 1.00 0.00 O ATOM 870 CB LYS A 56 6.344 -16.619 -8.380 1.00 0.00 C ATOM 871 CG LYS A 56 7.634 -16.899 -9.167 1.00 0.00 C ATOM 872 CD LYS A 56 7.530 -16.329 -10.588 1.00 0.00 C ATOM 873 CE LYS A 56 8.796 -16.679 -11.369 1.00 0.00 C ATOM 874 NZ LYS A 56 8.904 -18.159 -11.495 1.00 0.00 N ATOM 0 H LYS A 56 7.646 -15.659 -6.268 1.00 0.00 H new ATOM 0 HA LYS A 56 6.370 -14.490 -8.729 1.00 0.00 H new ATOM 0 HB2 LYS A 56 6.268 -17.304 -7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 56 5.476 -16.798 -9.014 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.485 -16.454 -8.652 1.00 0.00 H new ATOM 0 HG3 LYS A 56 7.814 -17.973 -9.212 1.00 0.00 H new ATOM 0 HD2 LYS A 56 6.654 -16.737 -11.092 1.00 0.00 H new ATOM 0 HD3 LYS A 56 7.401 -15.247 -10.549 1.00 0.00 H new ATOM 0 HE2 LYS A 56 8.766 -16.220 -12.357 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.673 -16.281 -10.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 9.514 -18.395 -12.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 9.315 -18.552 -10.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.958 -18.565 -11.645 1.00 0.00 H new ATOM 888 N GLY A 57 4.423 -13.796 -7.335 1.00 0.00 N ATOM 889 CA GLY A 57 3.169 -13.436 -6.606 1.00 0.00 C ATOM 890 C GLY A 57 3.319 -12.018 -6.054 1.00 0.00 C ATOM 891 O GLY A 57 2.432 -11.200 -6.173 1.00 0.00 O ATOM 0 H GLY A 57 4.723 -13.110 -8.028 1.00 0.00 H new ATOM 0 HA2 GLY A 57 2.311 -13.493 -7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 57 2.987 -14.141 -5.795 1.00 0.00 H new ATOM 895 N LEU A 58 4.447 -11.730 -5.457 1.00 0.00 N ATOM 896 CA LEU A 58 4.690 -10.370 -4.886 1.00 0.00 C ATOM 897 C LEU A 58 3.621 -10.038 -3.845 1.00 0.00 C ATOM 898 O LEU A 58 2.438 -10.146 -4.092 1.00 0.00 O ATOM 899 CB LEU A 58 4.663 -9.315 -6.000 1.00 0.00 C ATOM 900 CG LEU A 58 5.615 -9.722 -7.129 1.00 0.00 C ATOM 901 CD1 LEU A 58 5.565 -8.666 -8.237 1.00 0.00 C ATOM 902 CD2 LEU A 58 7.050 -9.835 -6.588 1.00 0.00 C ATOM 0 H LEU A 58 5.219 -12.386 -5.339 1.00 0.00 H new ATOM 0 HA LEU A 58 5.671 -10.364 -4.410 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.650 -9.209 -6.388 1.00 0.00 H new ATOM 0 HB3 LEU A 58 4.954 -8.344 -5.600 1.00 0.00 H new ATOM 0 HG LEU A 58 5.309 -10.689 -7.529 1.00 0.00 H new ATOM 0 HD11 LEU A 58 6.241 -8.952 -9.043 1.00 0.00 H new ATOM 0 HD12 LEU A 58 4.549 -8.593 -8.625 1.00 0.00 H new ATOM 0 HD13 LEU A 58 5.869 -7.700 -7.833 1.00 0.00 H new ATOM 0 HD21 LEU A 58 7.722 -10.125 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.363 -8.873 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.084 -10.588 -5.801 1.00 0.00 H new ATOM 914 N ALA A 59 4.032 -9.625 -2.678 1.00 0.00 N ATOM 915 CA ALA A 59 3.045 -9.276 -1.619 1.00 0.00 C ATOM 916 C ALA A 59 3.672 -8.267 -0.661 1.00 0.00 C ATOM 917 O ALA A 59 4.871 -8.244 -0.466 1.00 0.00 O ATOM 918 CB ALA A 59 2.649 -10.536 -0.850 1.00 0.00 C ATOM 0 H ALA A 59 5.010 -9.514 -2.412 1.00 0.00 H new ATOM 0 HA ALA A 59 2.156 -8.842 -2.077 1.00 0.00 H new ATOM 0 HB1 ALA A 59 1.927 -10.278 -0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 59 2.203 -11.256 -1.536 1.00 0.00 H new ATOM 0 HB3 ALA A 59 3.534 -10.974 -0.389 1.00 0.00 H new ATOM 924 N ALA A 60 2.869 -7.424 -0.067 1.00 0.00 N ATOM 925 CA ALA A 60 3.405 -6.399 0.877 1.00 0.00 C ATOM 926 C ALA A 60 3.157 -6.839 2.317 1.00 0.00 C ATOM 927 O ALA A 60 2.207 -7.541 2.606 1.00 0.00 O ATOM 928 CB ALA A 60 2.686 -5.076 0.635 1.00 0.00 C ATOM 0 H ALA A 60 1.857 -7.401 -0.196 1.00 0.00 H new ATOM 0 HA ALA A 60 4.476 -6.283 0.712 1.00 0.00 H new ATOM 0 HB1 ALA A 60 3.072 -4.322 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 60 2.855 -4.753 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 60 1.617 -5.207 0.803 1.00 0.00 H new ATOM 934 N LYS A 61 4.001 -6.424 3.228 1.00 0.00 N ATOM 935 CA LYS A 61 3.816 -6.807 4.659 1.00 0.00 C ATOM 936 C LYS A 61 4.173 -5.624 5.559 1.00 0.00 C ATOM 937 O LYS A 61 5.185 -4.977 5.384 1.00 0.00 O ATOM 938 CB LYS A 61 4.713 -8.006 4.984 1.00 0.00 C ATOM 939 CG LYS A 61 4.655 -8.337 6.484 1.00 0.00 C ATOM 940 CD LYS A 61 3.206 -8.623 6.898 1.00 0.00 C ATOM 941 CE LYS A 61 3.188 -9.377 8.226 1.00 0.00 C ATOM 942 NZ LYS A 61 3.828 -10.708 8.044 1.00 0.00 N ATOM 0 H LYS A 61 4.812 -5.835 3.041 1.00 0.00 H new ATOM 0 HA LYS A 61 2.775 -7.081 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 61 4.396 -8.872 4.403 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.741 -7.787 4.694 1.00 0.00 H new ATOM 0 HG2 LYS A 61 5.282 -9.202 6.699 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.051 -7.504 7.065 1.00 0.00 H new ATOM 0 HD2 LYS A 61 2.654 -7.688 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 61 2.707 -9.212 6.128 1.00 0.00 H new ATOM 0 HE2 LYS A 61 3.719 -8.807 8.988 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.162 -9.498 8.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.208 -11.447 8.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.984 -10.883 7.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 4.741 -10.725 8.542 1.00 0.00 H new ATOM 956 N ALA A 62 3.341 -5.348 6.527 1.00 0.00 N ATOM 957 CA ALA A 62 3.606 -4.219 7.462 1.00 0.00 C ATOM 958 C ALA A 62 3.804 -2.925 6.672 1.00 0.00 C ATOM 959 O ALA A 62 4.875 -2.352 6.644 1.00 0.00 O ATOM 960 CB ALA A 62 4.850 -4.523 8.307 1.00 0.00 C ATOM 0 H ALA A 62 2.480 -5.863 6.711 1.00 0.00 H new ATOM 0 HA ALA A 62 2.751 -4.096 8.127 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.038 -3.694 8.989 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.686 -5.435 8.881 1.00 0.00 H new ATOM 0 HB3 ALA A 62 5.711 -4.657 7.652 1.00 0.00 H new ATOM 966 N ILE A 63 2.763 -2.459 6.036 1.00 0.00 N ATOM 967 CA ILE A 63 2.854 -1.199 5.246 1.00 0.00 C ATOM 968 C ILE A 63 2.664 -0.001 6.173 1.00 0.00 C ATOM 969 O ILE A 63 1.779 0.011 7.005 1.00 0.00 O ATOM 970 CB ILE A 63 1.765 -1.199 4.176 1.00 0.00 C ATOM 971 CG1 ILE A 63 2.055 -2.313 3.166 1.00 0.00 C ATOM 972 CG2 ILE A 63 1.746 0.154 3.459 1.00 0.00 C ATOM 973 CD1 ILE A 63 0.846 -2.512 2.248 1.00 0.00 C ATOM 0 H ILE A 63 1.845 -2.903 6.031 1.00 0.00 H new ATOM 0 HA ILE A 63 3.833 -1.133 4.771 1.00 0.00 H new ATOM 0 HB ILE A 63 0.794 -1.369 4.641 1.00 0.00 H new ATOM 0 HG12 ILE A 63 2.934 -2.059 2.574 1.00 0.00 H new ATOM 0 HG13 ILE A 63 2.281 -3.241 3.690 1.00 0.00 H new ATOM 0 HG21 ILE A 63 0.968 0.151 2.696 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.543 0.945 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.714 0.331 2.989 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.059 -3.306 1.532 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -0.023 -2.786 2.846 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.640 -1.586 1.712 1.00 0.00 H new ATOM 985 N SER A 64 3.491 1.008 6.039 1.00 0.00 N ATOM 986 CA SER A 64 3.366 2.213 6.918 1.00 0.00 C ATOM 987 C SER A 64 3.390 3.477 6.068 1.00 0.00 C ATOM 988 O SER A 64 4.019 3.534 5.029 1.00 0.00 O ATOM 989 CB SER A 64 4.537 2.245 7.896 1.00 0.00 C ATOM 990 OG SER A 64 5.665 2.832 7.260 1.00 0.00 O ATOM 0 H SER A 64 4.249 1.049 5.357 1.00 0.00 H new ATOM 0 HA SER A 64 2.425 2.163 7.466 1.00 0.00 H new ATOM 0 HB2 SER A 64 4.268 2.816 8.785 1.00 0.00 H new ATOM 0 HB3 SER A 64 4.777 1.235 8.227 1.00 0.00 H new ATOM 0 HG SER A 64 6.274 2.126 6.958 1.00 0.00 H new ATOM 996 N LEU A 65 2.704 4.499 6.506 1.00 0.00 N ATOM 997 CA LEU A 65 2.674 5.771 5.734 1.00 0.00 C ATOM 998 C LEU A 65 3.755 6.715 6.290 1.00 0.00 C ATOM 999 O LEU A 65 4.016 6.728 7.478 1.00 0.00 O ATOM 1000 CB LEU A 65 1.291 6.431 5.880 1.00 0.00 C ATOM 1001 CG LEU A 65 0.764 6.272 7.328 1.00 0.00 C ATOM 1002 CD1 LEU A 65 -0.117 7.473 7.698 1.00 0.00 C ATOM 1003 CD2 LEU A 65 -0.074 4.987 7.453 1.00 0.00 C ATOM 0 H LEU A 65 2.161 4.505 7.370 1.00 0.00 H new ATOM 0 HA LEU A 65 2.864 5.568 4.680 1.00 0.00 H new ATOM 0 HB2 LEU A 65 1.358 7.489 5.625 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.589 5.978 5.180 1.00 0.00 H new ATOM 0 HG LEU A 65 1.619 6.217 8.001 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.484 7.355 8.717 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.469 8.389 7.627 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.962 7.529 7.012 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.438 4.888 8.476 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.922 5.037 6.770 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.543 4.124 7.202 1.00 0.00 H new ATOM 1015 N PRO A 66 4.380 7.504 5.446 1.00 0.00 N ATOM 1016 CA PRO A 66 5.442 8.463 5.881 1.00 0.00 C ATOM 1017 C PRO A 66 4.863 9.645 6.666 1.00 0.00 C ATOM 1018 O PRO A 66 4.844 9.651 7.881 1.00 0.00 O ATOM 1019 CB PRO A 66 6.057 8.947 4.557 1.00 0.00 C ATOM 1020 CG PRO A 66 4.969 8.780 3.541 1.00 0.00 C ATOM 1021 CD PRO A 66 4.150 7.570 3.992 1.00 0.00 C ATOM 0 HA PRO A 66 6.164 7.997 6.552 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.376 9.987 4.627 1.00 0.00 H new ATOM 0 HB3 PRO A 66 6.937 8.361 4.293 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.347 9.673 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 66 5.386 8.620 2.547 1.00 0.00 H new ATOM 0 HD2 PRO A 66 3.092 7.696 3.761 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.479 6.658 3.494 1.00 0.00 H new ATOM 1029 N LEU A 67 4.400 10.645 5.964 1.00 0.00 N ATOM 1030 CA LEU A 67 3.822 11.850 6.623 1.00 0.00 C ATOM 1031 C LEU A 67 4.693 12.249 7.818 1.00 0.00 C ATOM 1032 O LEU A 67 4.256 12.936 8.718 1.00 0.00 O ATOM 1033 CB LEU A 67 2.389 11.550 7.087 1.00 0.00 C ATOM 1034 CG LEU A 67 1.596 12.868 7.233 1.00 0.00 C ATOM 1035 CD1 LEU A 67 0.990 13.268 5.879 1.00 0.00 C ATOM 1036 CD2 LEU A 67 0.470 12.687 8.259 1.00 0.00 C ATOM 0 H LEU A 67 4.399 10.677 4.944 1.00 0.00 H new ATOM 0 HA LEU A 67 3.796 12.676 5.912 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.895 10.896 6.369 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.409 11.020 8.039 1.00 0.00 H new ATOM 0 HG LEU A 67 2.274 13.651 7.571 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.433 14.198 5.990 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.788 13.408 5.150 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.318 12.482 5.534 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.086 13.620 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.203 11.897 7.925 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.897 12.415 9.224 1.00 0.00 H new ATOM 1048 N GLU A 68 5.923 11.820 7.820 1.00 0.00 N ATOM 1049 CA GLU A 68 6.846 12.166 8.936 1.00 0.00 C ATOM 1050 C GLU A 68 6.214 11.799 10.279 1.00 0.00 C ATOM 1051 O GLU A 68 6.071 10.640 10.613 1.00 0.00 O ATOM 1052 CB GLU A 68 7.138 13.666 8.904 1.00 0.00 C ATOM 1053 CG GLU A 68 7.956 13.999 7.659 1.00 0.00 C ATOM 1054 CD GLU A 68 8.168 15.512 7.582 1.00 0.00 C ATOM 1055 OE1 GLU A 68 7.743 16.198 8.497 1.00 0.00 O ATOM 1056 OE2 GLU A 68 8.749 15.959 6.607 1.00 0.00 O ATOM 0 H GLU A 68 6.333 11.239 7.089 1.00 0.00 H new ATOM 0 HA GLU A 68 7.773 11.606 8.817 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.205 14.229 8.900 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.684 13.960 9.800 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.918 13.487 7.694 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.440 13.647 6.766 1.00 0.00 H new ATOM 1063 N HIS A 69 5.844 12.780 11.062 1.00 0.00 N ATOM 1064 CA HIS A 69 5.235 12.488 12.390 1.00 0.00 C ATOM 1065 C HIS A 69 4.244 13.594 12.756 1.00 0.00 C ATOM 1066 O HIS A 69 4.428 14.746 12.417 1.00 0.00 O ATOM 1067 CB HIS A 69 6.338 12.412 13.445 1.00 0.00 C ATOM 1068 CG HIS A 69 5.741 11.970 14.751 1.00 0.00 C ATOM 1069 ND1 HIS A 69 5.355 10.659 14.980 1.00 0.00 N ATOM 1070 CD2 HIS A 69 5.452 12.654 15.903 1.00 0.00 C ATOM 1071 CE1 HIS A 69 4.858 10.596 16.228 1.00 0.00 C ATOM 1072 NE2 HIS A 69 4.894 11.785 16.836 1.00 0.00 N ATOM 0 H HIS A 69 5.938 13.770 10.837 1.00 0.00 H new ATOM 0 HA HIS A 69 4.706 11.536 12.348 1.00 0.00 H new ATOM 0 HB2 HIS A 69 7.112 11.712 13.130 1.00 0.00 H new ATOM 0 HB3 HIS A 69 6.816 13.385 13.560 1.00 0.00 H new ATOM 0 HD1 HIS A 69 5.433 9.883 14.322 1.00 0.00 H new ATOM 0 HD2 HIS A 69 5.630 13.707 16.063 1.00 0.00 H new ATOM 0 HE1 HIS A 69 4.476 9.694 16.683 1.00 0.00 H new ATOM 1080 N HIS A 70 3.187 13.245 13.437 1.00 0.00 N ATOM 1081 CA HIS A 70 2.165 14.260 13.819 1.00 0.00 C ATOM 1082 C HIS A 70 2.709 15.187 14.910 1.00 0.00 C ATOM 1083 O HIS A 70 3.513 14.797 15.733 1.00 0.00 O ATOM 1084 CB HIS A 70 0.923 13.541 14.338 1.00 0.00 C ATOM 1085 CG HIS A 70 0.345 12.695 13.239 1.00 0.00 C ATOM 1086 ND1 HIS A 70 -0.362 13.242 12.180 1.00 0.00 N ATOM 1087 CD2 HIS A 70 0.364 11.341 13.017 1.00 0.00 C ATOM 1088 CE1 HIS A 70 -0.737 12.229 11.377 1.00 0.00 C ATOM 1089 NE2 HIS A 70 -0.320 11.048 11.842 1.00 0.00 N ATOM 0 H HIS A 70 2.986 12.294 13.747 1.00 0.00 H new ATOM 0 HA HIS A 70 1.915 14.861 12.944 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.180 12.919 15.195 1.00 0.00 H new ATOM 0 HB3 HIS A 70 0.185 14.266 14.681 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.839 10.613 13.658 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -1.306 12.355 10.468 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -0.471 10.129 11.425 1.00 0.00 H new ATOM 1097 N HIS A 71 2.274 16.419 14.911 1.00 0.00 N ATOM 1098 CA HIS A 71 2.761 17.391 15.930 1.00 0.00 C ATOM 1099 C HIS A 71 2.217 17.033 17.317 1.00 0.00 C ATOM 1100 O HIS A 71 1.059 16.705 17.483 1.00 0.00 O ATOM 1101 CB HIS A 71 2.288 18.793 15.547 1.00 0.00 C ATOM 1102 CG HIS A 71 2.819 19.788 16.541 1.00 0.00 C ATOM 1103 ND1 HIS A 71 4.147 20.185 16.549 1.00 0.00 N ATOM 1104 CD2 HIS A 71 2.216 20.475 17.565 1.00 0.00 C ATOM 1105 CE1 HIS A 71 4.298 21.073 17.549 1.00 0.00 C ATOM 1106 NE2 HIS A 71 3.152 21.285 18.200 1.00 0.00 N ATOM 0 H HIS A 71 1.598 16.795 14.246 1.00 0.00 H new ATOM 0 HA HIS A 71 3.850 17.357 15.962 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.634 19.044 14.544 1.00 0.00 H new ATOM 0 HB3 HIS A 71 1.199 18.828 15.527 1.00 0.00 H new ATOM 0 HD2 HIS A 71 1.173 20.398 17.836 1.00 0.00 H new ATOM 0 HE1 HIS A 71 5.233 21.555 17.795 1.00 0.00 H new ATOM 0 HE2 HIS A 71 2.996 21.907 18.993 1.00 0.00 H new ATOM 1114 N HIS A 72 3.059 17.105 18.314 1.00 0.00 N ATOM 1115 CA HIS A 72 2.626 16.783 19.703 1.00 0.00 C ATOM 1116 C HIS A 72 1.824 15.480 19.714 1.00 0.00 C ATOM 1117 O HIS A 72 0.616 15.475 19.588 1.00 0.00 O ATOM 1118 CB HIS A 72 1.776 17.929 20.256 1.00 0.00 C ATOM 1119 CG HIS A 72 1.502 17.679 21.711 1.00 0.00 C ATOM 1120 ND1 HIS A 72 0.513 16.808 22.135 1.00 0.00 N ATOM 1121 CD2 HIS A 72 2.084 18.171 22.853 1.00 0.00 C ATOM 1122 CE1 HIS A 72 0.528 16.801 23.480 1.00 0.00 C ATOM 1123 NE2 HIS A 72 1.467 17.616 23.970 1.00 0.00 N ATOM 0 H HIS A 72 4.038 17.376 18.223 1.00 0.00 H new ATOM 0 HA HIS A 72 3.507 16.656 20.332 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.296 18.878 20.129 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.839 18.003 19.704 1.00 0.00 H new ATOM 0 HD1 HIS A 72 -0.113 16.270 21.536 1.00 0.00 H new ATOM 0 HD2 HIS A 72 2.897 18.881 22.880 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.138 16.209 24.090 1.00 0.00 H new ATOM 1131 N HIS A 73 2.500 14.372 19.864 1.00 0.00 N ATOM 1132 CA HIS A 73 1.802 13.056 19.883 1.00 0.00 C ATOM 1133 C HIS A 73 1.256 12.772 21.286 1.00 0.00 C ATOM 1134 O HIS A 73 1.927 12.965 22.280 1.00 0.00 O ATOM 1135 CB HIS A 73 2.792 11.960 19.483 1.00 0.00 C ATOM 1136 CG HIS A 73 3.923 11.908 20.475 1.00 0.00 C ATOM 1137 ND1 HIS A 73 4.942 12.848 20.485 1.00 0.00 N ATOM 1138 CD2 HIS A 73 4.213 11.030 21.490 1.00 0.00 C ATOM 1139 CE1 HIS A 73 5.790 12.517 21.477 1.00 0.00 C ATOM 1140 NE2 HIS A 73 5.392 11.417 22.121 1.00 0.00 N ATOM 0 H HIS A 73 3.513 14.323 19.975 1.00 0.00 H new ATOM 0 HA HIS A 73 0.970 13.076 19.180 1.00 0.00 H new ATOM 0 HB2 HIS A 73 2.285 10.996 19.445 1.00 0.00 H new ATOM 0 HB3 HIS A 73 3.181 12.156 18.484 1.00 0.00 H new ATOM 0 HD2 HIS A 73 3.617 10.170 21.758 1.00 0.00 H new ATOM 0 HE1 HIS A 73 6.683 13.073 21.722 1.00 0.00 H new ATOM 0 HE2 HIS A 73 5.853 10.959 22.907 1.00 0.00 H new ATOM 1148 N HIS A 74 0.036 12.315 21.367 1.00 0.00 N ATOM 1149 CA HIS A 74 -0.575 12.014 22.692 1.00 0.00 C ATOM 1150 C HIS A 74 0.015 10.715 23.249 1.00 0.00 C ATOM 1151 O HIS A 74 0.248 10.659 24.445 1.00 0.00 O ATOM 1152 CB HIS A 74 -2.083 11.850 22.509 1.00 0.00 C ATOM 1153 CG HIS A 74 -2.739 11.662 23.845 1.00 0.00 C ATOM 1154 ND1 HIS A 74 -3.210 10.430 24.270 1.00 0.00 N ATOM 1155 CD2 HIS A 74 -3.012 12.540 24.863 1.00 0.00 C ATOM 1156 CE1 HIS A 74 -3.737 10.599 25.496 1.00 0.00 C ATOM 1157 NE2 HIS A 74 -3.643 11.867 25.905 1.00 0.00 N ATOM 1158 OXT HIS A 74 0.220 9.798 22.471 1.00 0.00 O ATOM 0 H HIS A 74 -0.568 12.136 20.565 1.00 0.00 H new ATOM 0 HA HIS A 74 -0.368 12.827 23.388 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -2.496 12.727 22.011 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -2.290 10.993 21.868 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -2.774 13.593 24.857 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -4.182 9.806 26.079 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -3.965 12.258 26.791 1.00 0.00 H new TER 1166 HIS A 74