USER MOD reduce.3.24.130724 H: found=0, std=0, add=368, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 366 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -117:sc= 0.0936 (180deg=0) USER MOD Single : A 2 SER OG : rot 21:sc= 1.16 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= -0.0652 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 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 30:sc= 0.243 USER MOD Single : A 24 LYS NZ :NH3+ 163:sc= -0.0197 (180deg=-0.29) USER MOD Single : A 26 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.746) USER MOD Single : A 31 SER OG : rot 180:sc= -0.342 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot -54:sc= -0.151 USER MOD Single : A 40 SER OG : rot -7:sc=0.000829 USER MOD Single : A 41 ASN : amide:sc= -4.06! C(o=-4.1!,f=-5.9!) USER MOD Single : A 42 ASN : amide:sc= -0.307 X(o=-0.31,f=-0.5) USER MOD Single : A 46 ASN : amide:sc= 0.00317 K(o=0.0032,f=-1.5!) USER MOD Single : A 47 LYS NZ :NH3+ 145:sc= -1.21 (180deg=-2.46!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 52 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 55 LYS NZ :NH3+ -162:sc= 0.609 (180deg=0.357) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.418 28.309 -33.771 1.00 0.00 N ATOM 2 CA GLY A 1 -14.720 27.698 -34.887 1.00 0.00 C ATOM 3 C GLY A 1 -13.845 26.537 -34.459 1.00 0.00 C ATOM 4 O GLY A 1 -13.678 26.284 -33.266 1.00 0.00 O ATOM 0 H1 GLY A 1 -16.444 28.198 -33.901 1.00 0.00 H new ATOM 0 H2 GLY A 1 -15.129 27.846 -32.886 1.00 0.00 H new ATOM 0 H3 GLY A 1 -15.182 29.321 -33.726 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -15.448 27.349 -35.620 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -14.105 28.449 -35.382 1.00 0.00 H new ATOM 8 N SER A 2 -13.288 25.826 -35.434 1.00 0.00 N ATOM 9 CA SER A 2 -12.430 24.681 -35.151 1.00 0.00 C ATOM 10 C SER A 2 -11.588 24.319 -36.371 1.00 0.00 C ATOM 11 O SER A 2 -11.883 24.739 -37.490 1.00 0.00 O ATOM 12 CB SER A 2 -13.273 23.478 -34.724 1.00 0.00 C ATOM 13 OG SER A 2 -13.649 23.577 -33.362 1.00 0.00 O ATOM 0 H SER A 2 -13.415 26.022 -36.427 1.00 0.00 H new ATOM 0 HA SER A 2 -11.760 24.953 -34.336 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.165 23.415 -35.347 1.00 0.00 H new ATOM 0 HB3 SER A 2 -12.708 22.559 -34.883 1.00 0.00 H new ATOM 0 HG SER A 2 -13.594 24.512 -33.075 1.00 0.00 H new ATOM 19 N SER A 3 -10.537 23.537 -36.145 1.00 0.00 N ATOM 20 CA SER A 3 -9.648 23.121 -37.224 1.00 0.00 C ATOM 21 C SER A 3 -8.754 21.968 -36.777 1.00 0.00 C ATOM 22 O SER A 3 -8.532 21.766 -35.584 1.00 0.00 O ATOM 23 CB SER A 3 -8.789 24.298 -37.688 1.00 0.00 C ATOM 24 OG SER A 3 -8.152 24.009 -38.920 1.00 0.00 O ATOM 0 H SER A 3 -10.280 23.179 -35.225 1.00 0.00 H new ATOM 0 HA SER A 3 -10.263 22.779 -38.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.411 25.186 -37.796 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.038 24.525 -36.931 1.00 0.00 H new ATOM 0 HG SER A 3 -7.610 24.777 -39.196 1.00 0.00 H new ATOM 30 N GLY A 4 -8.244 21.213 -37.745 1.00 0.00 N ATOM 31 CA GLY A 4 -7.380 20.090 -37.433 1.00 0.00 C ATOM 32 C GLY A 4 -7.321 19.074 -38.556 1.00 0.00 C ATOM 33 O GLY A 4 -7.913 19.275 -39.616 1.00 0.00 O ATOM 0 H GLY A 4 -8.414 21.359 -38.740 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.375 20.456 -37.225 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -7.736 19.603 -36.525 1.00 0.00 H new ATOM 37 N SER A 5 -6.602 17.980 -38.325 1.00 0.00 N ATOM 38 CA SER A 5 -6.463 16.931 -39.328 1.00 0.00 C ATOM 39 C SER A 5 -6.460 15.552 -38.675 1.00 0.00 C ATOM 40 O SER A 5 -6.023 15.393 -37.536 1.00 0.00 O ATOM 41 CB SER A 5 -5.176 17.130 -40.131 1.00 0.00 C ATOM 42 OG SER A 5 -4.033 16.993 -39.305 1.00 0.00 O ATOM 0 H SER A 5 -6.107 17.797 -37.452 1.00 0.00 H new ATOM 0 HA SER A 5 -7.317 16.993 -40.003 1.00 0.00 H new ATOM 0 HB2 SER A 5 -5.133 16.402 -40.941 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.180 18.118 -40.591 1.00 0.00 H new ATOM 0 HG SER A 5 -3.224 17.123 -39.842 1.00 0.00 H new ATOM 48 N SER A 6 -6.951 14.556 -39.407 1.00 0.00 N ATOM 49 CA SER A 6 -7.009 13.191 -38.899 1.00 0.00 C ATOM 50 C SER A 6 -6.458 12.205 -39.925 1.00 0.00 C ATOM 51 O SER A 6 -6.564 12.424 -41.131 1.00 0.00 O ATOM 52 CB SER A 6 -8.448 12.818 -38.539 1.00 0.00 C ATOM 53 OG SER A 6 -8.481 11.839 -37.515 1.00 0.00 O ATOM 0 H SER A 6 -7.314 14.670 -40.353 1.00 0.00 H new ATOM 0 HA SER A 6 -6.392 13.138 -38.002 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.987 13.708 -38.213 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.961 12.441 -39.424 1.00 0.00 H new ATOM 0 HG SER A 6 -9.412 11.619 -37.302 1.00 0.00 H new ATOM 59 N GLY A 7 -5.869 11.118 -39.437 1.00 0.00 N ATOM 60 CA GLY A 7 -5.310 10.115 -40.324 1.00 0.00 C ATOM 61 C GLY A 7 -4.356 9.177 -39.611 1.00 0.00 C ATOM 62 O GLY A 7 -3.189 9.065 -39.985 1.00 0.00 O ATOM 0 H GLY A 7 -5.769 10.914 -38.443 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.119 9.536 -40.769 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.785 10.609 -41.142 1.00 0.00 H new ATOM 66 N SER A 8 -4.852 8.503 -38.578 1.00 0.00 N ATOM 67 CA SER A 8 -4.034 7.574 -37.807 1.00 0.00 C ATOM 68 C SER A 8 -4.358 6.130 -38.176 1.00 0.00 C ATOM 69 O SER A 8 -4.023 5.200 -37.443 1.00 0.00 O ATOM 70 CB SER A 8 -4.254 7.791 -36.309 1.00 0.00 C ATOM 71 OG SER A 8 -5.456 7.179 -35.876 1.00 0.00 O ATOM 0 H SER A 8 -5.816 8.583 -38.256 1.00 0.00 H new ATOM 0 HA SER A 8 -2.988 7.765 -38.045 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.412 7.381 -35.751 1.00 0.00 H new ATOM 0 HB3 SER A 8 -4.288 8.859 -36.094 1.00 0.00 H new ATOM 0 HG SER A 8 -5.573 7.331 -34.915 1.00 0.00 H new ATOM 77 N SER A 9 -5.012 5.950 -39.319 1.00 0.00 N ATOM 78 CA SER A 9 -5.385 4.620 -39.786 1.00 0.00 C ATOM 79 C SER A 9 -4.146 3.773 -40.061 1.00 0.00 C ATOM 80 O SER A 9 -3.302 4.137 -40.881 1.00 0.00 O ATOM 81 CB SER A 9 -6.240 4.721 -41.051 1.00 0.00 C ATOM 82 OG SER A 9 -6.951 3.517 -41.283 1.00 0.00 O ATOM 0 H SER A 9 -5.295 6.709 -39.939 1.00 0.00 H new ATOM 0 HA SER A 9 -5.967 4.137 -39.001 1.00 0.00 H new ATOM 0 HB2 SER A 9 -6.942 5.549 -40.954 1.00 0.00 H new ATOM 0 HB3 SER A 9 -5.603 4.942 -41.908 1.00 0.00 H new ATOM 0 HG SER A 9 -7.491 3.607 -42.096 1.00 0.00 H new ATOM 88 N SER A 10 -4.044 2.642 -39.371 1.00 0.00 N ATOM 89 CA SER A 10 -2.907 1.745 -39.537 1.00 0.00 C ATOM 90 C SER A 10 -3.324 0.294 -39.320 1.00 0.00 C ATOM 91 O SER A 10 -4.394 0.018 -38.778 1.00 0.00 O ATOM 92 CB SER A 10 -1.789 2.118 -38.562 1.00 0.00 C ATOM 93 OG SER A 10 -2.199 1.928 -37.219 1.00 0.00 O ATOM 0 H SER A 10 -4.735 2.325 -38.691 1.00 0.00 H new ATOM 0 HA SER A 10 -2.539 1.850 -40.557 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.907 1.511 -38.766 1.00 0.00 H new ATOM 0 HB3 SER A 10 -1.502 3.158 -38.714 1.00 0.00 H new ATOM 0 HG SER A 10 -1.466 2.172 -36.616 1.00 0.00 H new ATOM 99 N SER A 11 -2.470 -0.631 -39.748 1.00 0.00 N ATOM 100 CA SER A 11 -2.750 -2.055 -39.604 1.00 0.00 C ATOM 101 C SER A 11 -1.811 -2.693 -38.585 1.00 0.00 C ATOM 102 O SER A 11 -0.629 -2.902 -38.860 1.00 0.00 O ATOM 103 CB SER A 11 -2.613 -2.762 -40.954 1.00 0.00 C ATOM 104 OG SER A 11 -3.559 -2.269 -41.887 1.00 0.00 O ATOM 0 H SER A 11 -1.579 -0.420 -40.197 1.00 0.00 H new ATOM 0 HA SER A 11 -3.774 -2.165 -39.247 1.00 0.00 H new ATOM 0 HB2 SER A 11 -1.605 -2.618 -41.343 1.00 0.00 H new ATOM 0 HB3 SER A 11 -2.753 -3.835 -40.822 1.00 0.00 H new ATOM 0 HG SER A 11 -3.449 -2.736 -42.742 1.00 0.00 H new ATOM 110 N CYS A 12 -2.346 -3.001 -37.409 1.00 0.00 N ATOM 111 CA CYS A 12 -1.557 -3.615 -36.347 1.00 0.00 C ATOM 112 C CYS A 12 -2.344 -4.724 -35.657 1.00 0.00 C ATOM 113 O CYS A 12 -3.573 -4.680 -35.590 1.00 0.00 O ATOM 114 CB CYS A 12 -1.133 -2.561 -35.324 1.00 0.00 C ATOM 115 SG CYS A 12 0.107 -3.137 -34.141 1.00 0.00 S ATOM 0 H CYS A 12 -3.323 -2.836 -37.167 1.00 0.00 H new ATOM 0 HA CYS A 12 -0.666 -4.053 -36.797 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -0.739 -1.694 -35.854 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -2.014 -2.227 -34.776 1.00 0.00 H new ATOM 0 HG CYS A 12 0.403 -2.174 -33.319 1.00 0.00 H new ATOM 121 N THR A 13 -1.628 -5.720 -35.145 1.00 0.00 N ATOM 122 CA THR A 13 -2.259 -6.843 -34.462 1.00 0.00 C ATOM 123 C THR A 13 -3.023 -6.377 -33.227 1.00 0.00 C ATOM 124 O THR A 13 -2.642 -5.401 -32.581 1.00 0.00 O ATOM 125 CB THR A 13 -1.221 -7.900 -34.041 1.00 0.00 C ATOM 126 OG1 THR A 13 -0.376 -8.226 -35.150 1.00 0.00 O ATOM 127 CG2 THR A 13 -1.906 -9.158 -33.531 1.00 0.00 C ATOM 0 H THR A 13 -0.610 -5.772 -35.190 1.00 0.00 H new ATOM 0 HA THR A 13 -2.956 -7.291 -35.170 1.00 0.00 H new ATOM 0 HB THR A 13 -0.617 -7.483 -33.235 1.00 0.00 H new ATOM 0 HG1 THR A 13 0.282 -8.897 -34.873 1.00 0.00 H new ATOM 0 HG21 THR A 13 -1.153 -9.890 -33.240 1.00 0.00 H new ATOM 0 HG22 THR A 13 -2.525 -8.911 -32.668 1.00 0.00 H new ATOM 0 HG23 THR A 13 -2.532 -9.576 -34.319 1.00 0.00 H new ATOM 135 N VAL A 14 -4.103 -7.081 -32.904 1.00 0.00 N ATOM 136 CA VAL A 14 -4.919 -6.740 -31.745 1.00 0.00 C ATOM 137 C VAL A 14 -4.527 -7.576 -30.532 1.00 0.00 C ATOM 138 O VAL A 14 -4.405 -8.798 -30.618 1.00 0.00 O ATOM 139 CB VAL A 14 -6.418 -6.946 -32.034 1.00 0.00 C ATOM 140 CG1 VAL A 14 -6.668 -8.341 -32.588 1.00 0.00 C ATOM 141 CG2 VAL A 14 -7.240 -6.707 -30.777 1.00 0.00 C ATOM 0 H VAL A 14 -4.433 -7.891 -33.429 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.739 -5.687 -31.530 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.729 -6.221 -32.787 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -7.732 -8.468 -32.786 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.108 -8.470 -33.514 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -6.343 -9.085 -31.861 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -8.297 -6.857 -30.999 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -6.930 -7.407 -30.001 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -7.084 -5.686 -30.429 1.00 0.00 H new ATOM 151 N THR A 15 -4.331 -6.908 -29.399 1.00 0.00 N ATOM 152 CA THR A 15 -3.952 -7.588 -28.167 1.00 0.00 C ATOM 153 C THR A 15 -5.052 -7.479 -27.118 1.00 0.00 C ATOM 154 O THR A 15 -5.471 -6.379 -26.754 1.00 0.00 O ATOM 155 CB THR A 15 -2.646 -7.014 -27.587 1.00 0.00 C ATOM 156 OG1 THR A 15 -1.636 -6.971 -28.602 1.00 0.00 O ATOM 157 CG2 THR A 15 -2.159 -7.852 -26.415 1.00 0.00 C ATOM 0 H THR A 15 -4.429 -5.897 -29.310 1.00 0.00 H new ATOM 0 HA THR A 15 -3.798 -8.637 -28.420 1.00 0.00 H new ATOM 0 HB THR A 15 -2.846 -6.003 -27.231 1.00 0.00 H new ATOM 0 HG1 THR A 15 -0.809 -6.603 -28.226 1.00 0.00 H new ATOM 0 HG21 THR A 15 -1.235 -7.427 -26.023 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.917 -7.858 -25.632 1.00 0.00 H new ATOM 0 HG23 THR A 15 -1.975 -8.873 -26.749 1.00 0.00 H new ATOM 165 N THR A 16 -5.517 -8.626 -26.632 1.00 0.00 N ATOM 166 CA THR A 16 -6.569 -8.659 -25.625 1.00 0.00 C ATOM 167 C THR A 16 -6.108 -8.007 -24.326 1.00 0.00 C ATOM 168 O THR A 16 -4.922 -8.023 -24.000 1.00 0.00 O ATOM 169 CB THR A 16 -7.019 -10.102 -25.329 1.00 0.00 C ATOM 170 OG1 THR A 16 -5.913 -10.870 -24.841 1.00 0.00 O ATOM 171 CG2 THR A 16 -7.586 -10.759 -26.579 1.00 0.00 C ATOM 0 H THR A 16 -5.181 -9.545 -26.920 1.00 0.00 H new ATOM 0 HA THR A 16 -7.412 -8.099 -26.031 1.00 0.00 H new ATOM 0 HB THR A 16 -7.800 -10.067 -24.569 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.208 -11.786 -24.654 1.00 0.00 H new ATOM 0 HG21 THR A 16 -7.897 -11.777 -26.346 1.00 0.00 H new ATOM 0 HG22 THR A 16 -8.445 -10.189 -26.932 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.822 -10.782 -27.356 1.00 0.00 H new ATOM 179 N GLY A 17 -7.054 -7.433 -23.588 1.00 0.00 N ATOM 180 CA GLY A 17 -6.723 -6.784 -22.333 1.00 0.00 C ATOM 181 C GLY A 17 -7.938 -6.577 -21.450 1.00 0.00 C ATOM 182 O GLY A 17 -8.505 -7.536 -20.925 1.00 0.00 O ATOM 0 H GLY A 17 -8.043 -7.406 -23.837 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -5.988 -7.386 -21.799 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.258 -5.820 -22.538 1.00 0.00 H new ATOM 186 N THR A 18 -8.340 -5.321 -21.284 1.00 0.00 N ATOM 187 CA THR A 18 -9.493 -4.990 -20.456 1.00 0.00 C ATOM 188 C THR A 18 -10.775 -4.974 -21.281 1.00 0.00 C ATOM 189 O THR A 18 -10.854 -4.306 -22.312 1.00 0.00 O ATOM 190 CB THR A 18 -9.319 -3.621 -19.772 1.00 0.00 C ATOM 191 OG1 THR A 18 -9.154 -2.597 -20.759 1.00 0.00 O ATOM 192 CG2 THR A 18 -8.119 -3.632 -18.838 1.00 0.00 C ATOM 0 H THR A 18 -7.884 -4.516 -21.712 1.00 0.00 H new ATOM 0 HA THR A 18 -9.566 -5.763 -19.691 1.00 0.00 H new ATOM 0 HB THR A 18 -10.214 -3.416 -19.185 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.641 -2.845 -21.573 1.00 0.00 H new ATOM 0 HG21 THR A 18 -8.016 -2.655 -18.366 1.00 0.00 H new ATOM 0 HG22 THR A 18 -8.263 -4.392 -18.070 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.217 -3.857 -19.407 1.00 0.00 H new ATOM 200 N LEU A 19 -11.778 -5.714 -20.820 1.00 0.00 N ATOM 201 CA LEU A 19 -13.058 -5.784 -21.516 1.00 0.00 C ATOM 202 C LEU A 19 -13.804 -4.457 -21.419 1.00 0.00 C ATOM 203 O LEU A 19 -13.760 -3.782 -20.391 1.00 0.00 O ATOM 204 CB LEU A 19 -13.917 -6.908 -20.932 1.00 0.00 C ATOM 205 CG LEU A 19 -14.097 -6.896 -19.414 1.00 0.00 C ATOM 206 CD1 LEU A 19 -15.329 -6.092 -19.029 1.00 0.00 C ATOM 207 CD2 LEU A 19 -14.196 -8.317 -18.877 1.00 0.00 C ATOM 0 H LEU A 19 -11.729 -6.273 -19.968 1.00 0.00 H new ATOM 0 HA LEU A 19 -12.861 -5.993 -22.567 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -14.903 -6.863 -21.395 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -13.474 -7.862 -21.218 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.224 -6.420 -18.968 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -15.441 -6.095 -17.945 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -15.218 -5.066 -19.380 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -16.212 -6.538 -19.486 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -14.324 -8.289 -17.795 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -15.051 -8.819 -19.330 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -13.284 -8.862 -19.121 1.00 0.00 H new ATOM 219 N GLY A 20 -14.492 -4.090 -22.496 1.00 0.00 N ATOM 220 CA GLY A 20 -15.239 -2.847 -22.511 1.00 0.00 C ATOM 221 C GLY A 20 -14.353 -1.640 -22.751 1.00 0.00 C ATOM 222 O GLY A 20 -13.490 -1.660 -23.629 1.00 0.00 O ATOM 0 H GLY A 20 -14.545 -4.632 -23.358 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -16.001 -2.894 -23.289 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -15.760 -2.728 -21.561 1.00 0.00 H new ATOM 226 N PHE A 21 -14.567 -0.587 -21.970 1.00 0.00 N ATOM 227 CA PHE A 21 -13.783 0.635 -22.104 1.00 0.00 C ATOM 228 C PHE A 21 -13.212 1.066 -20.755 1.00 0.00 C ATOM 229 O PHE A 21 -13.910 1.058 -19.743 1.00 0.00 O ATOM 230 CB PHE A 21 -14.643 1.758 -22.688 1.00 0.00 C ATOM 231 CG PHE A 21 -13.902 3.052 -22.864 1.00 0.00 C ATOM 232 CD1 PHE A 21 -13.119 3.270 -23.986 1.00 0.00 C ATOM 233 CD2 PHE A 21 -13.987 4.051 -21.907 1.00 0.00 C ATOM 234 CE1 PHE A 21 -12.435 4.460 -24.151 1.00 0.00 C ATOM 235 CE2 PHE A 21 -13.306 5.243 -22.066 1.00 0.00 C ATOM 236 CZ PHE A 21 -12.530 5.448 -23.190 1.00 0.00 C ATOM 0 H PHE A 21 -15.276 -0.555 -21.238 1.00 0.00 H new ATOM 0 HA PHE A 21 -12.954 0.432 -22.782 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -15.035 1.439 -23.654 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -15.500 1.925 -22.035 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -13.042 2.501 -24.741 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -14.593 3.896 -21.026 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -11.827 4.617 -25.030 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -13.380 6.013 -21.312 1.00 0.00 H new ATOM 0 HZ PHE A 21 -11.998 6.379 -23.317 1.00 0.00 H new ATOM 246 N GLY A 22 -11.936 1.440 -20.752 1.00 0.00 N ATOM 247 CA GLY A 22 -11.292 1.868 -19.523 1.00 0.00 C ATOM 248 C GLY A 22 -9.812 1.542 -19.501 1.00 0.00 C ATOM 249 O GLY A 22 -9.423 0.412 -19.205 1.00 0.00 O ATOM 0 H GLY A 22 -11.337 1.454 -21.578 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.426 2.943 -19.401 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -11.779 1.388 -18.675 1.00 0.00 H new ATOM 253 N ASP A 23 -8.985 2.533 -19.816 1.00 0.00 N ATOM 254 CA ASP A 23 -7.539 2.346 -19.831 1.00 0.00 C ATOM 255 C ASP A 23 -6.821 3.628 -19.422 1.00 0.00 C ATOM 256 O ASP A 23 -7.227 4.727 -19.799 1.00 0.00 O ATOM 257 CB ASP A 23 -7.075 1.908 -21.221 1.00 0.00 C ATOM 258 CG ASP A 23 -7.829 2.613 -22.332 1.00 0.00 C ATOM 259 OD1 ASP A 23 -8.069 3.832 -22.206 1.00 0.00 O ATOM 260 OD2 ASP A 23 -8.178 1.945 -23.328 1.00 0.00 O ATOM 0 H ASP A 23 -9.291 3.474 -20.064 1.00 0.00 H new ATOM 0 HA ASP A 23 -7.290 1.566 -19.111 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.009 2.109 -21.325 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -7.208 0.831 -21.322 1.00 0.00 H new ATOM 265 N LYS A 24 -5.752 3.479 -18.647 1.00 0.00 N ATOM 266 CA LYS A 24 -4.976 4.624 -18.185 1.00 0.00 C ATOM 267 C LYS A 24 -3.701 4.784 -19.006 1.00 0.00 C ATOM 268 O LYS A 24 -2.864 3.882 -19.054 1.00 0.00 O ATOM 269 CB LYS A 24 -4.625 4.465 -16.704 1.00 0.00 C ATOM 270 CG LYS A 24 -3.977 5.697 -16.097 1.00 0.00 C ATOM 271 CD LYS A 24 -4.030 5.664 -14.579 1.00 0.00 C ATOM 272 CE LYS A 24 -3.536 6.970 -13.975 1.00 0.00 C ATOM 273 NZ LYS A 24 -4.433 8.110 -14.309 1.00 0.00 N ATOM 0 H LYS A 24 -5.403 2.576 -18.325 1.00 0.00 H new ATOM 0 HA LYS A 24 -5.585 5.519 -18.313 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -5.532 4.230 -16.147 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -3.951 3.616 -16.588 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -2.939 5.762 -16.424 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -4.483 6.592 -16.460 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -5.053 5.476 -14.254 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -3.421 4.838 -14.211 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.468 6.866 -12.892 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -2.530 7.181 -14.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -4.241 8.903 -13.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -4.262 8.411 -15.290 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -5.424 7.813 -14.206 1.00 0.00 H new ATOM 287 N PHE A 25 -3.557 5.938 -19.651 1.00 0.00 N ATOM 288 CA PHE A 25 -2.383 6.215 -20.470 1.00 0.00 C ATOM 289 C PHE A 25 -1.105 5.801 -19.746 1.00 0.00 C ATOM 290 O PHE A 25 -0.366 4.935 -20.214 1.00 0.00 O ATOM 291 CB PHE A 25 -2.323 7.702 -20.824 1.00 0.00 C ATOM 292 CG PHE A 25 -3.631 8.256 -21.312 1.00 0.00 C ATOM 293 CD1 PHE A 25 -4.593 8.689 -20.413 1.00 0.00 C ATOM 294 CD2 PHE A 25 -3.899 8.344 -22.668 1.00 0.00 C ATOM 295 CE1 PHE A 25 -5.798 9.198 -20.859 1.00 0.00 C ATOM 296 CE2 PHE A 25 -5.103 8.852 -23.120 1.00 0.00 C ATOM 297 CZ PHE A 25 -6.053 9.281 -22.215 1.00 0.00 C ATOM 0 H PHE A 25 -4.239 6.696 -19.622 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.464 5.633 -21.388 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -2.005 8.264 -19.946 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -1.564 7.854 -21.592 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.399 8.628 -19.352 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -3.159 8.012 -23.381 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -6.540 9.531 -20.148 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -5.300 8.913 -24.180 1.00 0.00 H new ATOM 0 HZ PHE A 25 -6.993 9.680 -22.566 1.00 0.00 H new ATOM 307 N LYS A 26 -0.851 6.427 -18.602 1.00 0.00 N ATOM 308 CA LYS A 26 0.336 6.125 -17.811 1.00 0.00 C ATOM 309 C LYS A 26 -0.041 5.766 -16.378 1.00 0.00 C ATOM 310 O LYS A 26 -0.872 6.432 -15.760 1.00 0.00 O ATOM 311 CB LYS A 26 1.293 7.320 -17.814 1.00 0.00 C ATOM 312 CG LYS A 26 0.710 8.568 -17.174 1.00 0.00 C ATOM 313 CD LYS A 26 1.791 9.583 -16.845 1.00 0.00 C ATOM 314 CE LYS A 26 2.111 10.465 -18.042 1.00 0.00 C ATOM 315 NZ LYS A 26 3.106 9.829 -18.950 1.00 0.00 N ATOM 0 H LYS A 26 -1.452 7.147 -18.202 1.00 0.00 H new ATOM 0 HA LYS A 26 0.834 5.267 -18.262 1.00 0.00 H new ATOM 0 HB2 LYS A 26 2.206 7.044 -17.287 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.574 7.547 -18.842 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.019 9.017 -17.849 1.00 0.00 H new ATOM 0 HG3 LYS A 26 0.176 8.296 -16.264 1.00 0.00 H new ATOM 0 HD2 LYS A 26 1.466 10.204 -16.010 1.00 0.00 H new ATOM 0 HD3 LYS A 26 2.693 9.063 -16.523 1.00 0.00 H new ATOM 0 HE2 LYS A 26 1.195 10.672 -18.595 1.00 0.00 H new ATOM 0 HE3 LYS A 26 2.497 11.423 -17.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 3.667 10.567 -19.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 3.737 9.214 -18.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.609 9.261 -19.666 1.00 0.00 H new ATOM 329 N ARG A 27 0.575 4.711 -15.855 1.00 0.00 N ATOM 330 CA ARG A 27 0.303 4.264 -14.494 1.00 0.00 C ATOM 331 C ARG A 27 0.733 5.319 -13.480 1.00 0.00 C ATOM 332 O ARG A 27 1.645 6.110 -13.719 1.00 0.00 O ATOM 333 CB ARG A 27 1.027 2.946 -14.214 1.00 0.00 C ATOM 334 CG ARG A 27 2.538 3.088 -14.126 1.00 0.00 C ATOM 335 CD ARG A 27 3.238 1.760 -14.371 1.00 0.00 C ATOM 336 NE ARG A 27 4.643 1.801 -13.975 1.00 0.00 N ATOM 337 CZ ARG A 27 5.436 0.735 -13.971 1.00 0.00 C ATOM 338 NH1 ARG A 27 4.965 -0.448 -14.340 1.00 0.00 N ATOM 339 NH2 ARG A 27 6.705 0.852 -13.599 1.00 0.00 N ATOM 0 H ARG A 27 1.266 4.150 -16.353 1.00 0.00 H new ATOM 0 HA ARG A 27 -0.771 4.108 -14.396 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.655 2.528 -13.279 1.00 0.00 H new ATOM 0 HB3 ARG A 27 0.783 2.233 -15.001 1.00 0.00 H new ATOM 0 HG2 ARG A 27 2.879 3.821 -14.858 1.00 0.00 H new ATOM 0 HG3 ARG A 27 2.812 3.469 -13.142 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.728 0.973 -13.815 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.167 1.502 -15.428 1.00 0.00 H new ATOM 0 HE ARG A 27 5.037 2.696 -13.686 1.00 0.00 H new ATOM 0 HH11 ARG A 27 3.991 -0.542 -14.628 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.577 -1.264 -14.336 1.00 0.00 H new ATOM 0 HH21 ARG A 27 7.072 1.761 -13.316 1.00 0.00 H new ATOM 0 HH22 ARG A 27 7.313 0.033 -13.596 1.00 0.00 H new ATOM 353 N PRO A 28 0.060 5.333 -12.319 1.00 0.00 N ATOM 354 CA PRO A 28 0.355 6.286 -11.245 1.00 0.00 C ATOM 355 C PRO A 28 1.697 6.009 -10.576 1.00 0.00 C ATOM 356 O PRO A 28 1.963 4.890 -10.137 1.00 0.00 O ATOM 357 CB PRO A 28 -0.791 6.068 -10.254 1.00 0.00 C ATOM 358 CG PRO A 28 -1.243 4.670 -10.498 1.00 0.00 C ATOM 359 CD PRO A 28 -1.039 4.419 -11.966 1.00 0.00 C ATOM 0 HA PRO A 28 0.428 7.308 -11.616 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -0.456 6.202 -9.226 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -1.599 6.780 -10.421 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -0.669 3.964 -9.898 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -2.290 4.545 -10.223 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.776 3.380 -12.163 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -1.941 4.634 -12.540 1.00 0.00 H new ATOM 367 N ILE A 29 2.539 7.034 -10.503 1.00 0.00 N ATOM 368 CA ILE A 29 3.853 6.901 -9.886 1.00 0.00 C ATOM 369 C ILE A 29 3.758 6.983 -8.366 1.00 0.00 C ATOM 370 O ILE A 29 4.416 6.229 -7.651 1.00 0.00 O ATOM 371 CB ILE A 29 4.823 7.987 -10.388 1.00 0.00 C ATOM 372 CG1 ILE A 29 4.973 7.904 -11.908 1.00 0.00 C ATOM 373 CG2 ILE A 29 6.176 7.843 -9.707 1.00 0.00 C ATOM 374 CD1 ILE A 29 5.701 9.087 -12.508 1.00 0.00 C ATOM 0 H ILE A 29 2.335 7.966 -10.864 1.00 0.00 H new ATOM 0 HA ILE A 29 4.238 5.922 -10.171 1.00 0.00 H new ATOM 0 HB ILE A 29 4.414 8.965 -10.136 1.00 0.00 H new ATOM 0 HG12 ILE A 29 5.509 6.990 -12.163 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.984 7.829 -12.359 1.00 0.00 H new ATOM 0 HG21 ILE A 29 6.851 8.617 -10.072 1.00 0.00 H new ATOM 0 HG22 ILE A 29 6.054 7.947 -8.629 1.00 0.00 H new ATOM 0 HG23 ILE A 29 6.594 6.862 -9.932 1.00 0.00 H new ATOM 0 HD11 ILE A 29 5.771 8.961 -13.588 1.00 0.00 H new ATOM 0 HD12 ILE A 29 5.154 10.003 -12.284 1.00 0.00 H new ATOM 0 HD13 ILE A 29 6.703 9.150 -12.084 1.00 0.00 H new ATOM 386 N GLY A 30 2.931 7.903 -7.879 1.00 0.00 N ATOM 387 CA GLY A 30 2.763 8.065 -6.447 1.00 0.00 C ATOM 388 C GLY A 30 2.233 6.811 -5.779 1.00 0.00 C ATOM 389 O GLY A 30 2.646 6.468 -4.672 1.00 0.00 O ATOM 0 H GLY A 30 2.375 8.539 -8.451 1.00 0.00 H new ATOM 0 HA2 GLY A 30 3.720 8.334 -6.000 1.00 0.00 H new ATOM 0 HA3 GLY A 30 2.079 8.892 -6.256 1.00 0.00 H new ATOM 393 N SER A 31 1.315 6.126 -6.454 1.00 0.00 N ATOM 394 CA SER A 31 0.725 4.906 -5.916 1.00 0.00 C ATOM 395 C SER A 31 1.800 3.862 -5.631 1.00 0.00 C ATOM 396 O SER A 31 2.985 4.094 -5.870 1.00 0.00 O ATOM 397 CB SER A 31 -0.306 4.340 -6.895 1.00 0.00 C ATOM 398 OG SER A 31 -1.301 5.301 -7.201 1.00 0.00 O ATOM 0 H SER A 31 0.964 6.395 -7.373 1.00 0.00 H new ATOM 0 HA SER A 31 0.228 5.154 -4.978 1.00 0.00 H new ATOM 0 HB2 SER A 31 0.193 4.025 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 31 -0.772 3.454 -6.465 1.00 0.00 H new ATOM 0 HG SER A 31 -1.946 4.915 -7.829 1.00 0.00 H new ATOM 404 N TRP A 32 1.377 2.712 -5.119 1.00 0.00 N ATOM 405 CA TRP A 32 2.303 1.631 -4.801 1.00 0.00 C ATOM 406 C TRP A 32 1.831 0.314 -5.407 1.00 0.00 C ATOM 407 O TRP A 32 0.700 -0.114 -5.179 1.00 0.00 O ATOM 408 CB TRP A 32 2.448 1.486 -3.285 1.00 0.00 C ATOM 409 CG TRP A 32 1.150 1.213 -2.588 1.00 0.00 C ATOM 410 CD1 TRP A 32 0.185 2.125 -2.266 1.00 0.00 C ATOM 411 CD2 TRP A 32 0.676 -0.056 -2.124 1.00 0.00 C ATOM 412 NE1 TRP A 32 -0.860 1.499 -1.630 1.00 0.00 N ATOM 413 CE2 TRP A 32 -0.584 0.161 -1.532 1.00 0.00 C ATOM 414 CE3 TRP A 32 1.192 -1.354 -2.154 1.00 0.00 C ATOM 415 CZ2 TRP A 32 -1.332 -0.872 -0.974 1.00 0.00 C ATOM 416 CZ3 TRP A 32 0.448 -2.379 -1.599 1.00 0.00 C ATOM 417 CH2 TRP A 32 -0.802 -2.134 -1.017 1.00 0.00 C ATOM 0 H TRP A 32 0.399 2.504 -4.915 1.00 0.00 H new ATOM 0 HA TRP A 32 3.274 1.879 -5.230 1.00 0.00 H new ATOM 0 HB2 TRP A 32 3.145 0.676 -3.070 1.00 0.00 H new ATOM 0 HB3 TRP A 32 2.885 2.399 -2.880 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.236 3.182 -2.480 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.704 1.957 -1.287 1.00 0.00 H new ATOM 0 HE3 TRP A 32 2.154 -1.553 -2.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -2.296 -0.685 -0.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 0.838 -3.386 -1.615 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -1.359 -2.957 -0.594 1.00 0.00 H new ATOM 428 N GLU A 33 2.705 -0.324 -6.180 1.00 0.00 N ATOM 429 CA GLU A 33 2.375 -1.592 -6.819 1.00 0.00 C ATOM 430 C GLU A 33 2.434 -2.739 -5.814 1.00 0.00 C ATOM 431 O GLU A 33 3.392 -2.862 -5.050 1.00 0.00 O ATOM 432 CB GLU A 33 3.333 -1.868 -7.980 1.00 0.00 C ATOM 433 CG GLU A 33 2.793 -2.866 -8.991 1.00 0.00 C ATOM 434 CD GLU A 33 1.595 -2.334 -9.754 1.00 0.00 C ATOM 435 OE1 GLU A 33 1.725 -1.272 -10.397 1.00 0.00 O ATOM 436 OE2 GLU A 33 0.528 -2.981 -9.707 1.00 0.00 O ATOM 0 H GLU A 33 3.646 0.016 -6.378 1.00 0.00 H new ATOM 0 HA GLU A 33 1.358 -1.521 -7.205 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.552 -0.930 -8.490 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.276 -2.242 -7.581 1.00 0.00 H new ATOM 0 HG2 GLU A 33 3.582 -3.126 -9.697 1.00 0.00 H new ATOM 0 HG3 GLU A 33 2.512 -3.784 -8.475 1.00 0.00 H new ATOM 443 N CYS A 34 1.403 -3.577 -5.821 1.00 0.00 N ATOM 444 CA CYS A 34 1.335 -4.714 -4.910 1.00 0.00 C ATOM 445 C CYS A 34 2.383 -5.763 -5.270 1.00 0.00 C ATOM 446 O CYS A 34 3.073 -5.644 -6.283 1.00 0.00 O ATOM 447 CB CYS A 34 -0.061 -5.339 -4.946 1.00 0.00 C ATOM 448 SG CYS A 34 -0.568 -6.115 -3.377 1.00 0.00 S ATOM 0 H CYS A 34 0.603 -3.490 -6.447 1.00 0.00 H new ATOM 0 HA CYS A 34 1.539 -4.353 -3.902 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.786 -4.569 -5.209 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -0.092 -6.089 -5.737 1.00 0.00 H new ATOM 453 N SER A 35 2.496 -6.790 -4.434 1.00 0.00 N ATOM 454 CA SER A 35 3.462 -7.858 -4.661 1.00 0.00 C ATOM 455 C SER A 35 2.755 -9.192 -4.878 1.00 0.00 C ATOM 456 O SER A 35 3.209 -10.029 -5.660 1.00 0.00 O ATOM 457 CB SER A 35 4.425 -7.964 -3.477 1.00 0.00 C ATOM 458 OG SER A 35 3.721 -8.167 -2.264 1.00 0.00 O ATOM 0 H SER A 35 1.930 -6.905 -3.593 1.00 0.00 H new ATOM 0 HA SER A 35 4.029 -7.617 -5.560 1.00 0.00 H new ATOM 0 HB2 SER A 35 5.119 -8.789 -3.641 1.00 0.00 H new ATOM 0 HB3 SER A 35 5.022 -7.055 -3.407 1.00 0.00 H new ATOM 0 HG SER A 35 4.359 -8.233 -1.523 1.00 0.00 H new ATOM 464 N VAL A 36 1.641 -9.385 -4.180 1.00 0.00 N ATOM 465 CA VAL A 36 0.869 -10.617 -4.295 1.00 0.00 C ATOM 466 C VAL A 36 0.010 -10.611 -5.554 1.00 0.00 C ATOM 467 O VAL A 36 -0.159 -11.640 -6.209 1.00 0.00 O ATOM 468 CB VAL A 36 -0.038 -10.828 -3.068 1.00 0.00 C ATOM 469 CG1 VAL A 36 0.793 -11.181 -1.844 1.00 0.00 C ATOM 470 CG2 VAL A 36 -0.882 -9.589 -2.811 1.00 0.00 C ATOM 0 H VAL A 36 1.252 -8.704 -3.528 1.00 0.00 H new ATOM 0 HA VAL A 36 1.586 -11.436 -4.352 1.00 0.00 H new ATOM 0 HB VAL A 36 -0.710 -11.661 -3.273 1.00 0.00 H new ATOM 0 HG11 VAL A 36 0.135 -11.326 -0.987 1.00 0.00 H new ATOM 0 HG12 VAL A 36 1.349 -12.099 -2.034 1.00 0.00 H new ATOM 0 HG13 VAL A 36 1.491 -10.371 -1.632 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -1.517 -9.755 -1.941 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -0.229 -8.736 -2.626 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -1.506 -9.387 -3.682 1.00 0.00 H new ATOM 480 N CYS A 37 -0.532 -9.444 -5.888 1.00 0.00 N ATOM 481 CA CYS A 37 -1.375 -9.303 -7.069 1.00 0.00 C ATOM 482 C CYS A 37 -0.741 -8.351 -8.079 1.00 0.00 C ATOM 483 O CYS A 37 -1.119 -8.331 -9.251 1.00 0.00 O ATOM 484 CB CYS A 37 -2.762 -8.793 -6.673 1.00 0.00 C ATOM 485 SG CYS A 37 -2.786 -7.059 -6.114 1.00 0.00 S ATOM 0 H CYS A 37 -0.402 -8.583 -5.357 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.474 -10.284 -7.533 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.433 -8.898 -7.526 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.156 -9.425 -5.878 1.00 0.00 H new ATOM 490 N CYS A 38 0.225 -7.565 -7.617 1.00 0.00 N ATOM 491 CA CYS A 38 0.913 -6.611 -8.480 1.00 0.00 C ATOM 492 C CYS A 38 -0.069 -5.600 -9.063 1.00 0.00 C ATOM 493 O CYS A 38 -0.066 -5.337 -10.266 1.00 0.00 O ATOM 494 CB CYS A 38 1.640 -7.343 -9.608 1.00 0.00 C ATOM 495 SG CYS A 38 2.825 -6.318 -10.510 1.00 0.00 S ATOM 0 H CYS A 38 0.550 -7.569 -6.650 1.00 0.00 H new ATOM 0 HA CYS A 38 1.644 -6.074 -7.876 1.00 0.00 H new ATOM 0 HB2 CYS A 38 2.164 -8.203 -9.190 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.902 -7.730 -10.311 1.00 0.00 H new ATOM 0 HG CYS A 38 2.229 -5.249 -10.949 1.00 0.00 H new ATOM 501 N VAL A 39 -0.911 -5.036 -8.203 1.00 0.00 N ATOM 502 CA VAL A 39 -1.900 -4.054 -8.632 1.00 0.00 C ATOM 503 C VAL A 39 -1.708 -2.727 -7.907 1.00 0.00 C ATOM 504 O VAL A 39 -1.324 -2.697 -6.738 1.00 0.00 O ATOM 505 CB VAL A 39 -3.335 -4.558 -8.386 1.00 0.00 C ATOM 506 CG1 VAL A 39 -4.347 -3.476 -8.729 1.00 0.00 C ATOM 507 CG2 VAL A 39 -3.601 -5.822 -9.189 1.00 0.00 C ATOM 0 H VAL A 39 -0.928 -5.242 -7.204 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.754 -3.904 -9.702 1.00 0.00 H new ATOM 0 HB VAL A 39 -3.440 -4.798 -7.328 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -5.355 -3.850 -8.549 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.168 -2.600 -8.105 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -4.244 -3.201 -9.779 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.619 -6.164 -9.003 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -3.477 -5.611 -10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -2.897 -6.598 -8.889 1.00 0.00 H new ATOM 517 N SER A 40 -1.977 -1.631 -8.609 1.00 0.00 N ATOM 518 CA SER A 40 -1.830 -0.299 -8.034 1.00 0.00 C ATOM 519 C SER A 40 -2.899 -0.045 -6.975 1.00 0.00 C ATOM 520 O SER A 40 -3.946 -0.690 -6.966 1.00 0.00 O ATOM 521 CB SER A 40 -1.918 0.765 -9.129 1.00 0.00 C ATOM 522 OG SER A 40 -0.891 0.593 -10.091 1.00 0.00 O ATOM 0 H SER A 40 -2.298 -1.639 -9.577 1.00 0.00 H new ATOM 0 HA SER A 40 -0.851 -0.241 -7.559 1.00 0.00 H new ATOM 0 HB2 SER A 40 -2.891 0.709 -9.617 1.00 0.00 H new ATOM 0 HB3 SER A 40 -1.841 1.757 -8.684 1.00 0.00 H new ATOM 0 HG SER A 40 -0.269 -0.100 -9.785 1.00 0.00 H new ATOM 528 N ASN A 41 -2.625 0.902 -6.083 1.00 0.00 N ATOM 529 CA ASN A 41 -3.561 1.243 -5.018 1.00 0.00 C ATOM 530 C ASN A 41 -3.277 2.638 -4.469 1.00 0.00 C ATOM 531 O ASN A 41 -2.187 3.178 -4.654 1.00 0.00 O ATOM 532 CB ASN A 41 -3.481 0.213 -3.890 1.00 0.00 C ATOM 533 CG ASN A 41 -3.653 -1.208 -4.392 1.00 0.00 C ATOM 534 OD1 ASN A 41 -4.717 -1.578 -4.888 1.00 0.00 O ATOM 535 ND2 ASN A 41 -2.604 -2.012 -4.263 1.00 0.00 N ATOM 0 H ASN A 41 -1.763 1.447 -6.077 1.00 0.00 H new ATOM 0 HA ASN A 41 -4.567 1.235 -5.437 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.519 0.304 -3.386 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.250 0.429 -3.149 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -2.661 -2.979 -4.581 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -1.742 -1.662 -3.846 1.00 0.00 H new ATOM 542 N ASN A 42 -4.265 3.215 -3.792 1.00 0.00 N ATOM 543 CA ASN A 42 -4.121 4.547 -3.216 1.00 0.00 C ATOM 544 C ASN A 42 -2.889 4.621 -2.318 1.00 0.00 C ATOM 545 O ASN A 42 -2.649 3.731 -1.503 1.00 0.00 O ATOM 546 CB ASN A 42 -5.372 4.917 -2.417 1.00 0.00 C ATOM 547 CG ASN A 42 -6.633 4.861 -3.257 1.00 0.00 C ATOM 548 OD1 ASN A 42 -6.612 5.172 -4.449 1.00 0.00 O ATOM 549 ND2 ASN A 42 -7.739 4.465 -2.639 1.00 0.00 N ATOM 0 H ASN A 42 -5.174 2.781 -3.629 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.996 5.258 -4.033 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -5.473 4.238 -1.570 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.255 5.921 -2.009 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -8.618 4.409 -3.153 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -7.710 4.217 -1.650 1.00 0.00 H new ATOM 556 N ALA A 43 -2.113 5.688 -2.475 1.00 0.00 N ATOM 557 CA ALA A 43 -0.909 5.880 -1.677 1.00 0.00 C ATOM 558 C ALA A 43 -1.233 5.894 -0.187 1.00 0.00 C ATOM 559 O ALA A 43 -0.531 5.282 0.616 1.00 0.00 O ATOM 560 CB ALA A 43 -0.209 7.170 -2.079 1.00 0.00 C ATOM 0 H ALA A 43 -2.297 6.433 -3.148 1.00 0.00 H new ATOM 0 HA ALA A 43 -0.240 5.041 -1.868 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.689 7.300 -1.475 1.00 0.00 H new ATOM 0 HB2 ALA A 43 0.067 7.121 -3.132 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -0.880 8.014 -1.918 1.00 0.00 H new ATOM 566 N GLU A 44 -2.301 6.599 0.174 1.00 0.00 N ATOM 567 CA GLU A 44 -2.717 6.693 1.569 1.00 0.00 C ATOM 568 C GLU A 44 -3.202 5.342 2.085 1.00 0.00 C ATOM 569 O GLU A 44 -3.017 5.010 3.256 1.00 0.00 O ATOM 570 CB GLU A 44 -3.824 7.738 1.724 1.00 0.00 C ATOM 571 CG GLU A 44 -5.100 7.388 0.977 1.00 0.00 C ATOM 572 CD GLU A 44 -6.330 8.030 1.590 1.00 0.00 C ATOM 573 OE1 GLU A 44 -6.309 8.308 2.807 1.00 0.00 O ATOM 574 OE2 GLU A 44 -7.313 8.254 0.853 1.00 0.00 O ATOM 0 H GLU A 44 -2.893 7.113 -0.479 1.00 0.00 H new ATOM 0 HA GLU A 44 -1.853 6.998 2.159 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.054 7.857 2.783 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -3.456 8.700 1.367 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.008 7.707 -0.061 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.226 6.305 0.968 1.00 0.00 H new ATOM 581 N ASP A 45 -3.823 4.566 1.203 1.00 0.00 N ATOM 582 CA ASP A 45 -4.334 3.250 1.568 1.00 0.00 C ATOM 583 C ASP A 45 -3.209 2.350 2.069 1.00 0.00 C ATOM 584 O ASP A 45 -2.261 2.062 1.340 1.00 0.00 O ATOM 585 CB ASP A 45 -5.030 2.600 0.372 1.00 0.00 C ATOM 586 CG ASP A 45 -6.465 3.063 0.215 1.00 0.00 C ATOM 587 OD1 ASP A 45 -6.792 4.161 0.712 1.00 0.00 O ATOM 588 OD2 ASP A 45 -7.263 2.327 -0.403 1.00 0.00 O ATOM 0 H ASP A 45 -3.985 4.826 0.230 1.00 0.00 H new ATOM 0 HA ASP A 45 -5.057 3.379 2.373 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.475 2.831 -0.537 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -5.012 1.517 0.490 1.00 0.00 H new ATOM 593 N ASN A 46 -3.321 1.909 3.318 1.00 0.00 N ATOM 594 CA ASN A 46 -2.313 1.043 3.916 1.00 0.00 C ATOM 595 C ASN A 46 -2.593 -0.422 3.594 1.00 0.00 C ATOM 596 O ASN A 46 -2.028 -1.324 4.212 1.00 0.00 O ATOM 597 CB ASN A 46 -2.272 1.244 5.433 1.00 0.00 C ATOM 598 CG ASN A 46 -3.428 0.561 6.138 1.00 0.00 C ATOM 599 OD1 ASN A 46 -4.593 0.831 5.849 1.00 0.00 O ATOM 600 ND2 ASN A 46 -3.108 -0.331 7.068 1.00 0.00 N ATOM 0 H ASN A 46 -4.100 2.138 3.935 1.00 0.00 H new ATOM 0 HA ASN A 46 -1.344 1.311 3.494 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -1.331 0.855 5.823 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.293 2.311 5.656 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -3.842 -0.824 7.576 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -2.128 -0.523 7.275 1.00 0.00 H new ATOM 607 N LYS A 47 -3.469 -0.651 2.622 1.00 0.00 N ATOM 608 CA LYS A 47 -3.824 -2.005 2.214 1.00 0.00 C ATOM 609 C LYS A 47 -4.259 -2.037 0.753 1.00 0.00 C ATOM 610 O LYS A 47 -4.451 -0.993 0.128 1.00 0.00 O ATOM 611 CB LYS A 47 -4.945 -2.549 3.103 1.00 0.00 C ATOM 612 CG LYS A 47 -4.451 -3.140 4.412 1.00 0.00 C ATOM 613 CD LYS A 47 -5.473 -4.088 5.016 1.00 0.00 C ATOM 614 CE LYS A 47 -5.100 -4.476 6.439 1.00 0.00 C ATOM 615 NZ LYS A 47 -4.248 -5.697 6.475 1.00 0.00 N ATOM 0 H LYS A 47 -3.947 0.085 2.101 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.941 -2.635 2.325 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -5.648 -1.745 3.320 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.495 -3.313 2.553 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -3.515 -3.673 4.242 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -4.237 -2.337 5.117 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.456 -3.616 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.547 -4.985 4.401 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.571 -3.650 6.914 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.007 -4.649 7.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.561 -5.618 7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -4.847 -6.534 6.627 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.741 -5.793 5.572 1.00 0.00 H new ATOM 629 N CYS A 48 -4.413 -3.241 0.212 1.00 0.00 N ATOM 630 CA CYS A 48 -4.826 -3.410 -1.176 1.00 0.00 C ATOM 631 C CYS A 48 -6.347 -3.446 -1.290 1.00 0.00 C ATOM 632 O CYS A 48 -7.055 -3.515 -0.285 1.00 0.00 O ATOM 633 CB CYS A 48 -4.229 -4.694 -1.755 1.00 0.00 C ATOM 634 SG CYS A 48 -4.125 -4.711 -3.573 1.00 0.00 S ATOM 0 H CYS A 48 -4.258 -4.115 0.715 1.00 0.00 H new ATOM 0 HA CYS A 48 -4.457 -2.557 -1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.230 -4.835 -1.343 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -4.831 -5.542 -1.428 1.00 0.00 H new ATOM 639 N VAL A 49 -6.844 -3.400 -2.522 1.00 0.00 N ATOM 640 CA VAL A 49 -8.281 -3.429 -2.769 1.00 0.00 C ATOM 641 C VAL A 49 -8.674 -4.658 -3.581 1.00 0.00 C ATOM 642 O VAL A 49 -9.777 -5.184 -3.435 1.00 0.00 O ATOM 643 CB VAL A 49 -8.748 -2.164 -3.514 1.00 0.00 C ATOM 644 CG1 VAL A 49 -8.377 -0.915 -2.729 1.00 0.00 C ATOM 645 CG2 VAL A 49 -8.153 -2.120 -4.913 1.00 0.00 C ATOM 0 H VAL A 49 -6.273 -3.342 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 49 -8.769 -3.469 -1.795 1.00 0.00 H new ATOM 0 HB VAL A 49 -9.834 -2.197 -3.606 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -8.715 -0.031 -3.270 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.855 -0.945 -1.750 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -7.295 -0.872 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.493 -1.220 -5.425 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -7.065 -2.110 -4.846 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -8.474 -2.999 -5.473 1.00 0.00 H new ATOM 655 N SER A 50 -7.764 -5.110 -4.437 1.00 0.00 N ATOM 656 CA SER A 50 -8.016 -6.276 -5.276 1.00 0.00 C ATOM 657 C SER A 50 -7.809 -7.567 -4.489 1.00 0.00 C ATOM 658 O SER A 50 -8.602 -8.504 -4.590 1.00 0.00 O ATOM 659 CB SER A 50 -7.099 -6.259 -6.500 1.00 0.00 C ATOM 660 OG SER A 50 -7.365 -7.359 -7.353 1.00 0.00 O ATOM 0 H SER A 50 -6.845 -4.687 -4.568 1.00 0.00 H new ATOM 0 HA SER A 50 -9.053 -6.236 -5.608 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.238 -5.328 -7.049 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.058 -6.288 -6.179 1.00 0.00 H new ATOM 0 HG SER A 50 -6.767 -7.324 -8.128 1.00 0.00 H new ATOM 666 N CYS A 51 -6.738 -7.608 -3.704 1.00 0.00 N ATOM 667 CA CYS A 51 -6.424 -8.783 -2.899 1.00 0.00 C ATOM 668 C CYS A 51 -6.543 -8.469 -1.411 1.00 0.00 C ATOM 669 O CYS A 51 -6.656 -9.373 -0.583 1.00 0.00 O ATOM 670 CB CYS A 51 -5.012 -9.281 -3.215 1.00 0.00 C ATOM 671 SG CYS A 51 -3.685 -8.223 -2.554 1.00 0.00 S ATOM 0 H CYS A 51 -6.072 -6.841 -3.608 1.00 0.00 H new ATOM 0 HA CYS A 51 -7.142 -9.565 -3.146 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -4.895 -10.287 -2.812 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -4.898 -9.355 -4.296 1.00 0.00 H new ATOM 676 N MET A 52 -6.517 -7.183 -1.079 1.00 0.00 N ATOM 677 CA MET A 52 -6.623 -6.750 0.310 1.00 0.00 C ATOM 678 C MET A 52 -5.453 -7.276 1.135 1.00 0.00 C ATOM 679 O MET A 52 -5.622 -7.670 2.289 1.00 0.00 O ATOM 680 CB MET A 52 -7.945 -7.227 0.915 1.00 0.00 C ATOM 681 CG MET A 52 -9.170 -6.605 0.267 1.00 0.00 C ATOM 682 SD MET A 52 -10.714 -7.302 0.886 1.00 0.00 S ATOM 683 CE MET A 52 -10.860 -8.764 -0.138 1.00 0.00 C ATOM 0 H MET A 52 -6.424 -6.422 -1.752 1.00 0.00 H new ATOM 0 HA MET A 52 -6.595 -5.661 0.328 1.00 0.00 H new ATOM 0 HB2 MET A 52 -8.007 -8.311 0.823 1.00 0.00 H new ATOM 0 HB3 MET A 52 -7.951 -6.997 1.980 1.00 0.00 H new ATOM 0 HG2 MET A 52 -9.164 -5.530 0.446 1.00 0.00 H new ATOM 0 HG3 MET A 52 -9.118 -6.749 -0.812 1.00 0.00 H new ATOM 0 HE1 MET A 52 -11.769 -9.304 0.126 1.00 0.00 H new ATOM 0 HE2 MET A 52 -10.904 -8.471 -1.187 1.00 0.00 H new ATOM 0 HE3 MET A 52 -9.996 -9.408 0.023 1.00 0.00 H new ATOM 693 N SER A 53 -4.267 -7.280 0.535 1.00 0.00 N ATOM 694 CA SER A 53 -3.069 -7.762 1.214 1.00 0.00 C ATOM 695 C SER A 53 -2.334 -6.614 1.899 1.00 0.00 C ATOM 696 O SER A 53 -2.329 -5.486 1.408 1.00 0.00 O ATOM 697 CB SER A 53 -2.138 -8.457 0.218 1.00 0.00 C ATOM 698 OG SER A 53 -0.982 -8.959 0.866 1.00 0.00 O ATOM 0 H SER A 53 -4.110 -6.955 -0.419 1.00 0.00 H new ATOM 0 HA SER A 53 -3.376 -8.479 1.975 1.00 0.00 H new ATOM 0 HB2 SER A 53 -2.668 -9.274 -0.271 1.00 0.00 H new ATOM 0 HB3 SER A 53 -1.845 -7.754 -0.562 1.00 0.00 H new ATOM 0 HG SER A 53 -0.404 -9.400 0.209 1.00 0.00 H new ATOM 704 N GLU A 54 -1.713 -6.912 3.036 1.00 0.00 N ATOM 705 CA GLU A 54 -0.975 -5.905 3.790 1.00 0.00 C ATOM 706 C GLU A 54 0.024 -5.179 2.893 1.00 0.00 C ATOM 707 O GLU A 54 0.583 -5.764 1.965 1.00 0.00 O ATOM 708 CB GLU A 54 -0.244 -6.552 4.968 1.00 0.00 C ATOM 709 CG GLU A 54 -1.155 -6.903 6.131 1.00 0.00 C ATOM 710 CD GLU A 54 -0.404 -7.032 7.442 1.00 0.00 C ATOM 711 OE1 GLU A 54 0.630 -6.351 7.604 1.00 0.00 O ATOM 712 OE2 GLU A 54 -0.852 -7.815 8.307 1.00 0.00 O ATOM 0 H GLU A 54 -1.706 -7.842 3.455 1.00 0.00 H new ATOM 0 HA GLU A 54 -1.690 -5.177 4.172 1.00 0.00 H new ATOM 0 HB2 GLU A 54 0.255 -7.457 4.622 1.00 0.00 H new ATOM 0 HB3 GLU A 54 0.534 -5.874 5.319 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -1.923 -6.136 6.230 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -1.667 -7.841 5.916 1.00 0.00 H new ATOM 719 N LYS A 55 0.244 -3.900 3.177 1.00 0.00 N ATOM 720 CA LYS A 55 1.175 -3.092 2.399 1.00 0.00 C ATOM 721 C LYS A 55 2.573 -3.135 3.008 1.00 0.00 C ATOM 722 O LYS A 55 2.753 -3.013 4.220 1.00 0.00 O ATOM 723 CB LYS A 55 0.686 -1.644 2.323 1.00 0.00 C ATOM 724 CG LYS A 55 1.667 -0.705 1.644 1.00 0.00 C ATOM 725 CD LYS A 55 1.242 0.747 1.789 1.00 0.00 C ATOM 726 CE LYS A 55 2.434 1.688 1.700 1.00 0.00 C ATOM 727 NZ LYS A 55 3.347 1.539 2.867 1.00 0.00 N ATOM 0 H LYS A 55 -0.210 -3.400 3.941 1.00 0.00 H new ATOM 0 HA LYS A 55 1.223 -3.507 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -0.261 -1.617 1.785 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.489 -1.282 3.332 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.659 -0.839 2.076 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.743 -0.959 0.587 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.522 0.996 1.010 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.738 0.886 2.745 1.00 0.00 H new ATOM 0 HE2 LYS A 55 2.985 1.490 0.780 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.080 2.718 1.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 3.961 2.375 2.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 2.786 1.449 3.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 3.933 0.689 2.743 1.00 0.00 H new ATOM 741 N PRO A 56 3.588 -3.312 2.149 1.00 0.00 N ATOM 742 CA PRO A 56 4.988 -3.374 2.579 1.00 0.00 C ATOM 743 C PRO A 56 5.505 -2.024 3.065 1.00 0.00 C ATOM 744 O PRO A 56 4.781 -1.029 3.051 1.00 0.00 O ATOM 745 CB PRO A 56 5.730 -3.806 1.312 1.00 0.00 C ATOM 746 CG PRO A 56 4.861 -3.353 0.191 1.00 0.00 C ATOM 747 CD PRO A 56 3.447 -3.465 0.691 1.00 0.00 C ATOM 0 HA PRO A 56 5.126 -4.052 3.422 1.00 0.00 H new ATOM 0 HB2 PRO A 56 6.718 -3.349 1.257 1.00 0.00 H new ATOM 0 HB3 PRO A 56 5.877 -4.886 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 56 5.094 -2.327 -0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 56 5.012 -3.971 -0.694 1.00 0.00 H new ATOM 0 HD2 PRO A 56 2.808 -2.691 0.266 1.00 0.00 H new ATOM 0 HD3 PRO A 56 3.003 -4.425 0.429 1.00 0.00 H new ATOM 755 N GLY A 57 6.763 -1.997 3.495 1.00 0.00 N ATOM 756 CA GLY A 57 7.355 -0.764 3.978 1.00 0.00 C ATOM 757 C GLY A 57 8.855 -0.875 4.166 1.00 0.00 C ATOM 758 O GLY A 57 9.575 0.055 3.806 1.00 0.00 O ATOM 0 H GLY A 57 7.382 -2.807 3.517 1.00 0.00 H new ATOM 0 HA2 GLY A 57 7.139 0.039 3.274 1.00 0.00 H new ATOM 0 HA3 GLY A 57 6.893 -0.490 4.926 1.00 0.00 H new TER 762 GLY A 57 HETATM 763 ZN ZN A 201 -2.807 -6.636 -3.889 1.00 0.00 ZN