USER MOD reduce.3.24.130724 H: found=0, std=0, add=658, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 657 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 SER N :NH3+ -100:sc= 0.0999 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot -77:sc= -3.93! USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= -0.0469 (180deg=-0.432) USER MOD Single : A 21 ASN : amide:sc= -3.1! C(o=-3.1!,f=-3.2!) USER MOD Single : A 22 ASN :FLIP amide:sc= -6.26! C(o=-12!,f=-6.3!) USER MOD Single : A 23 LYS NZ :NH3+ -150:sc= -0.834 (180deg=-1.98!) USER MOD Single : A 24 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 26 LYS NZ :NH3+ -117:sc= -0.923 (180deg=-2.62!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 MET CE :methyl -126:sc= -1.57 (180deg=-5.02!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -161:sc= -1.02 (180deg=-1.68) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -46:sc= 0.45 USER MOD Single : A 48 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.4!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 85:sc= 1.02 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 114:sc= 0.11 USER MOD Single : A 74 MET CE :methyl -159:sc= -2.43! (180deg=-3.43!) USER MOD Single : A 76 HIS :FLIP no HD1:sc= -1.6 F(o=-2.2,f=-1.6) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 20.805 7.432 6.500 1.00 0.00 N ATOM 2 CA SER A 1 19.670 7.323 7.462 1.00 0.00 C ATOM 3 C SER A 1 19.357 5.849 7.719 1.00 0.00 C ATOM 4 O SER A 1 19.772 4.978 6.979 1.00 0.00 O ATOM 5 CB SER A 1 18.438 8.011 6.873 1.00 0.00 C ATOM 6 OG SER A 1 18.041 7.330 5.689 1.00 0.00 O ATOM 0 H1 SER A 1 21.685 7.623 7.021 1.00 0.00 H new ATOM 0 H2 SER A 1 20.901 6.540 5.974 1.00 0.00 H new ATOM 0 H3 SER A 1 20.622 8.209 5.834 1.00 0.00 H new ATOM 0 HA SER A 1 19.942 7.804 8.402 1.00 0.00 H new ATOM 0 HB2 SER A 1 17.624 8.008 7.598 1.00 0.00 H new ATOM 0 HB3 SER A 1 18.662 9.054 6.649 1.00 0.00 H new ATOM 0 HG SER A 1 17.250 7.767 5.310 1.00 0.00 H new ATOM 14 N ASP A 2 18.625 5.561 8.760 1.00 0.00 N ATOM 15 CA ASP A 2 18.282 4.142 9.063 1.00 0.00 C ATOM 16 C ASP A 2 17.128 4.101 10.066 1.00 0.00 C ATOM 17 O ASP A 2 17.132 3.323 10.999 1.00 0.00 O ATOM 18 CB ASP A 2 19.504 3.438 9.657 1.00 0.00 C ATOM 19 CG ASP A 2 20.021 4.231 10.858 1.00 0.00 C ATOM 20 OD1 ASP A 2 20.326 5.400 10.684 1.00 0.00 O ATOM 21 OD2 ASP A 2 20.104 3.657 11.931 1.00 0.00 O ATOM 0 H ASP A 2 18.249 6.247 9.414 1.00 0.00 H new ATOM 0 HA ASP A 2 17.983 3.635 8.146 1.00 0.00 H new ATOM 0 HB2 ASP A 2 19.240 2.426 9.964 1.00 0.00 H new ATOM 0 HB3 ASP A 2 20.287 3.349 8.904 1.00 0.00 H new ATOM 26 N VAL A 3 16.142 4.944 9.884 1.00 0.00 N ATOM 27 CA VAL A 3 14.978 4.977 10.822 1.00 0.00 C ATOM 28 C VAL A 3 13.758 4.300 10.188 1.00 0.00 C ATOM 29 O VAL A 3 13.333 3.244 10.611 1.00 0.00 O ATOM 30 CB VAL A 3 14.632 6.427 11.137 1.00 0.00 C ATOM 31 CG1 VAL A 3 13.605 6.479 12.272 1.00 0.00 C ATOM 32 CG2 VAL A 3 15.898 7.176 11.559 1.00 0.00 C ATOM 0 H VAL A 3 16.094 5.617 9.119 1.00 0.00 H new ATOM 0 HA VAL A 3 15.246 4.444 11.734 1.00 0.00 H new ATOM 0 HB VAL A 3 14.211 6.897 10.248 1.00 0.00 H new ATOM 0 HG11 VAL A 3 13.360 7.518 12.494 1.00 0.00 H new ATOM 0 HG12 VAL A 3 12.701 5.950 11.969 1.00 0.00 H new ATOM 0 HG13 VAL A 3 14.021 6.006 13.161 1.00 0.00 H new ATOM 0 HG21 VAL A 3 15.649 8.213 11.784 1.00 0.00 H new ATOM 0 HG22 VAL A 3 16.322 6.704 12.445 1.00 0.00 H new ATOM 0 HG23 VAL A 3 16.626 7.145 10.748 1.00 0.00 H new ATOM 42 N TYR A 4 13.180 4.914 9.192 1.00 0.00 N ATOM 43 CA TYR A 4 11.969 4.327 8.546 1.00 0.00 C ATOM 44 C TYR A 4 12.328 3.015 7.839 1.00 0.00 C ATOM 45 O TYR A 4 11.629 2.031 7.963 1.00 0.00 O ATOM 46 CB TYR A 4 11.398 5.341 7.534 1.00 0.00 C ATOM 47 CG TYR A 4 10.426 6.287 8.219 1.00 0.00 C ATOM 48 CD1 TYR A 4 10.637 6.689 9.550 1.00 0.00 C ATOM 49 CD2 TYR A 4 9.312 6.760 7.516 1.00 0.00 C ATOM 50 CE1 TYR A 4 9.734 7.561 10.167 1.00 0.00 C ATOM 51 CE2 TYR A 4 8.410 7.633 8.137 1.00 0.00 C ATOM 52 CZ TYR A 4 8.620 8.033 9.462 1.00 0.00 C ATOM 53 OH TYR A 4 7.732 8.894 10.073 1.00 0.00 O ATOM 0 H TYR A 4 13.494 5.800 8.796 1.00 0.00 H new ATOM 0 HA TYR A 4 11.219 4.110 9.307 1.00 0.00 H new ATOM 0 HB2 TYR A 4 12.211 5.910 7.082 1.00 0.00 H new ATOM 0 HB3 TYR A 4 10.892 4.812 6.727 1.00 0.00 H new ATOM 0 HD1 TYR A 4 11.495 6.325 10.095 1.00 0.00 H new ATOM 0 HD2 TYR A 4 9.148 6.452 6.494 1.00 0.00 H new ATOM 0 HE1 TYR A 4 9.896 7.871 11.189 1.00 0.00 H new ATOM 0 HE2 TYR A 4 7.551 7.998 7.593 1.00 0.00 H new ATOM 0 HH TYR A 4 7.017 9.126 9.445 1.00 0.00 H new ATOM 63 N CYS A 5 13.401 2.984 7.095 1.00 0.00 N ATOM 64 CA CYS A 5 13.776 1.720 6.391 1.00 0.00 C ATOM 65 C CYS A 5 13.697 0.548 7.383 1.00 0.00 C ATOM 66 O CYS A 5 13.330 -0.559 7.033 1.00 0.00 O ATOM 67 CB CYS A 5 15.201 1.846 5.833 1.00 0.00 C ATOM 68 SG CYS A 5 15.140 2.576 4.176 1.00 0.00 S ATOM 0 H CYS A 5 14.031 3.772 6.944 1.00 0.00 H new ATOM 0 HA CYS A 5 13.089 1.538 5.564 1.00 0.00 H new ATOM 0 HB2 CYS A 5 15.808 2.466 6.493 1.00 0.00 H new ATOM 0 HB3 CYS A 5 15.675 0.865 5.793 1.00 0.00 H new ATOM 73 N GLU A 6 14.031 0.789 8.621 1.00 0.00 N ATOM 74 CA GLU A 6 13.971 -0.297 9.639 1.00 0.00 C ATOM 75 C GLU A 6 12.538 -0.426 10.167 1.00 0.00 C ATOM 76 O GLU A 6 11.922 -1.475 10.096 1.00 0.00 O ATOM 77 CB GLU A 6 14.908 0.045 10.800 1.00 0.00 C ATOM 78 CG GLU A 6 16.332 0.228 10.272 1.00 0.00 C ATOM 79 CD GLU A 6 17.269 0.560 11.434 1.00 0.00 C ATOM 80 OE1 GLU A 6 16.828 1.234 12.351 1.00 0.00 O ATOM 81 OE2 GLU A 6 18.412 0.135 11.388 1.00 0.00 O ATOM 0 H GLU A 6 14.344 1.694 8.972 1.00 0.00 H new ATOM 0 HA GLU A 6 14.277 -1.239 9.184 1.00 0.00 H new ATOM 0 HB2 GLU A 6 14.573 0.956 11.295 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.885 -0.750 11.546 1.00 0.00 H new ATOM 0 HG2 GLU A 6 16.665 -0.681 9.771 1.00 0.00 H new ATOM 0 HG3 GLU A 6 16.357 1.027 9.531 1.00 0.00 H new ATOM 88 N VAL A 7 12.007 0.639 10.702 1.00 0.00 N ATOM 89 CA VAL A 7 10.621 0.602 11.249 1.00 0.00 C ATOM 90 C VAL A 7 9.637 0.154 10.164 1.00 0.00 C ATOM 91 O VAL A 7 8.554 -0.311 10.456 1.00 0.00 O ATOM 92 CB VAL A 7 10.231 2.003 11.728 1.00 0.00 C ATOM 93 CG1 VAL A 7 8.831 1.959 12.345 1.00 0.00 C ATOM 94 CG2 VAL A 7 11.236 2.491 12.778 1.00 0.00 C ATOM 0 H VAL A 7 12.478 1.540 10.784 1.00 0.00 H new ATOM 0 HA VAL A 7 10.585 -0.103 12.079 1.00 0.00 H new ATOM 0 HB VAL A 7 10.236 2.687 10.880 1.00 0.00 H new ATOM 0 HG11 VAL A 7 8.552 2.956 12.686 1.00 0.00 H new ATOM 0 HG12 VAL A 7 8.115 1.618 11.598 1.00 0.00 H new ATOM 0 HG13 VAL A 7 8.828 1.272 13.191 1.00 0.00 H new ATOM 0 HG21 VAL A 7 10.954 3.488 13.116 1.00 0.00 H new ATOM 0 HG22 VAL A 7 11.236 1.807 13.627 1.00 0.00 H new ATOM 0 HG23 VAL A 7 12.233 2.525 12.339 1.00 0.00 H new ATOM 104 N CYS A 8 9.989 0.305 8.916 1.00 0.00 N ATOM 105 CA CYS A 8 9.053 -0.099 7.827 1.00 0.00 C ATOM 106 C CYS A 8 9.106 -1.616 7.612 1.00 0.00 C ATOM 107 O CYS A 8 8.087 -2.280 7.609 1.00 0.00 O ATOM 108 CB CYS A 8 9.430 0.626 6.529 1.00 0.00 C ATOM 109 SG CYS A 8 10.969 -0.058 5.870 1.00 0.00 S ATOM 0 H CYS A 8 10.881 0.689 8.604 1.00 0.00 H new ATOM 0 HA CYS A 8 8.038 0.176 8.114 1.00 0.00 H new ATOM 0 HB2 CYS A 8 8.630 0.518 5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 8 9.547 1.693 6.719 1.00 0.00 H new ATOM 114 N GLU A 9 10.270 -2.176 7.415 1.00 0.00 N ATOM 115 CA GLU A 9 10.331 -3.660 7.181 1.00 0.00 C ATOM 116 C GLU A 9 9.526 -4.387 8.266 1.00 0.00 C ATOM 117 O GLU A 9 8.941 -5.427 8.025 1.00 0.00 O ATOM 118 CB GLU A 9 11.785 -4.201 7.161 1.00 0.00 C ATOM 119 CG GLU A 9 12.517 -3.940 8.494 1.00 0.00 C ATOM 120 CD GLU A 9 13.705 -4.898 8.622 1.00 0.00 C ATOM 121 OE1 GLU A 9 14.347 -5.153 7.616 1.00 0.00 O ATOM 122 OE2 GLU A 9 13.953 -5.360 9.724 1.00 0.00 O ATOM 0 H GLU A 9 11.166 -1.689 7.405 1.00 0.00 H new ATOM 0 HA GLU A 9 9.901 -3.850 6.198 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.771 -5.272 6.959 1.00 0.00 H new ATOM 0 HB3 GLU A 9 12.336 -3.730 6.347 1.00 0.00 H new ATOM 0 HG2 GLU A 9 12.863 -2.907 8.535 1.00 0.00 H new ATOM 0 HG3 GLU A 9 11.832 -4.080 9.330 1.00 0.00 H new ATOM 129 N PHE A 10 9.499 -3.857 9.459 1.00 0.00 N ATOM 130 CA PHE A 10 8.747 -4.532 10.558 1.00 0.00 C ATOM 131 C PHE A 10 7.241 -4.291 10.412 1.00 0.00 C ATOM 132 O PHE A 10 6.437 -5.142 10.736 1.00 0.00 O ATOM 133 CB PHE A 10 9.218 -3.980 11.904 1.00 0.00 C ATOM 134 CG PHE A 10 8.439 -4.637 13.019 1.00 0.00 C ATOM 135 CD1 PHE A 10 8.796 -5.916 13.462 1.00 0.00 C ATOM 136 CD2 PHE A 10 7.361 -3.966 13.611 1.00 0.00 C ATOM 137 CE1 PHE A 10 8.075 -6.525 14.495 1.00 0.00 C ATOM 138 CE2 PHE A 10 6.640 -4.576 14.644 1.00 0.00 C ATOM 139 CZ PHE A 10 6.996 -5.855 15.086 1.00 0.00 C ATOM 0 H PHE A 10 9.964 -2.988 9.721 1.00 0.00 H new ATOM 0 HA PHE A 10 8.936 -5.604 10.504 1.00 0.00 H new ATOM 0 HB2 PHE A 10 10.284 -4.166 12.032 1.00 0.00 H new ATOM 0 HB3 PHE A 10 9.077 -2.900 11.935 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.628 -6.433 13.006 1.00 0.00 H new ATOM 0 HD2 PHE A 10 7.086 -2.979 13.270 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.350 -7.512 14.837 1.00 0.00 H new ATOM 0 HE2 PHE A 10 5.809 -4.059 15.100 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.439 -6.326 15.883 1.00 0.00 H new ATOM 149 N LEU A 11 6.846 -3.138 9.947 1.00 0.00 N ATOM 150 CA LEU A 11 5.387 -2.855 9.808 1.00 0.00 C ATOM 151 C LEU A 11 4.835 -3.505 8.537 1.00 0.00 C ATOM 152 O LEU A 11 3.864 -4.235 8.577 1.00 0.00 O ATOM 153 CB LEU A 11 5.165 -1.341 9.739 1.00 0.00 C ATOM 154 CG LEU A 11 5.541 -0.690 11.078 1.00 0.00 C ATOM 155 CD1 LEU A 11 5.592 0.830 10.897 1.00 0.00 C ATOM 156 CD2 LEU A 11 4.506 -1.047 12.164 1.00 0.00 C ATOM 0 H LEU A 11 7.466 -2.382 9.658 1.00 0.00 H new ATOM 0 HA LEU A 11 4.866 -3.268 10.672 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.767 -0.914 8.937 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.122 -1.129 9.503 1.00 0.00 H new ATOM 0 HG LEU A 11 6.516 -1.062 11.394 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.858 1.300 11.844 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.339 1.082 10.144 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.615 1.191 10.575 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.790 -0.577 13.106 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.522 -0.688 11.861 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.474 -2.129 12.294 1.00 0.00 H new ATOM 168 N VAL A 12 5.426 -3.234 7.407 1.00 0.00 N ATOM 169 CA VAL A 12 4.906 -3.826 6.142 1.00 0.00 C ATOM 170 C VAL A 12 4.901 -5.359 6.233 1.00 0.00 C ATOM 171 O VAL A 12 4.106 -6.013 5.598 1.00 0.00 O ATOM 172 CB VAL A 12 5.773 -3.373 4.968 1.00 0.00 C ATOM 173 CG1 VAL A 12 5.953 -1.854 5.020 1.00 0.00 C ATOM 174 CG2 VAL A 12 7.140 -4.056 5.031 1.00 0.00 C ATOM 0 H VAL A 12 6.242 -2.631 7.304 1.00 0.00 H new ATOM 0 HA VAL A 12 3.883 -3.485 5.985 1.00 0.00 H new ATOM 0 HB VAL A 12 5.282 -3.649 4.035 1.00 0.00 H new ATOM 0 HG11 VAL A 12 6.572 -1.532 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 12 4.978 -1.370 4.959 1.00 0.00 H new ATOM 0 HG13 VAL A 12 6.437 -1.577 5.956 1.00 0.00 H new ATOM 0 HG21 VAL A 12 7.750 -3.727 4.190 1.00 0.00 H new ATOM 0 HG22 VAL A 12 7.636 -3.792 5.965 1.00 0.00 H new ATOM 0 HG23 VAL A 12 7.009 -5.137 4.983 1.00 0.00 H new ATOM 184 N LYS A 13 5.780 -5.929 7.015 1.00 0.00 N ATOM 185 CA LYS A 13 5.821 -7.423 7.152 1.00 0.00 C ATOM 186 C LYS A 13 4.738 -7.886 8.140 1.00 0.00 C ATOM 187 O LYS A 13 4.097 -8.897 7.938 1.00 0.00 O ATOM 188 CB LYS A 13 7.203 -7.833 7.663 1.00 0.00 C ATOM 189 CG LYS A 13 7.297 -9.379 7.850 1.00 0.00 C ATOM 190 CD LYS A 13 7.722 -9.728 9.286 1.00 0.00 C ATOM 191 CE LYS A 13 6.533 -9.553 10.233 1.00 0.00 C ATOM 192 NZ LYS A 13 6.916 -10.012 11.599 1.00 0.00 N ATOM 0 H LYS A 13 6.475 -5.427 7.568 1.00 0.00 H new ATOM 0 HA LYS A 13 5.633 -7.889 6.185 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.967 -7.502 6.960 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.406 -7.336 8.612 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.332 -9.836 7.630 1.00 0.00 H new ATOM 0 HG3 LYS A 13 8.015 -9.793 7.142 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.085 -10.755 9.329 1.00 0.00 H new ATOM 0 HD3 LYS A 13 8.545 -9.086 9.598 1.00 0.00 H new ATOM 0 HE2 LYS A 13 6.227 -8.507 10.261 1.00 0.00 H new ATOM 0 HE3 LYS A 13 5.679 -10.125 9.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.109 -9.894 12.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 7.188 -11.015 11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 7.719 -9.448 11.942 1.00 0.00 H new ATOM 206 N GLU A 14 4.526 -7.158 9.208 1.00 0.00 N ATOM 207 CA GLU A 14 3.481 -7.569 10.197 1.00 0.00 C ATOM 208 C GLU A 14 2.095 -7.384 9.572 1.00 0.00 C ATOM 209 O GLU A 14 1.268 -8.283 9.552 1.00 0.00 O ATOM 210 CB GLU A 14 3.599 -6.699 11.450 1.00 0.00 C ATOM 211 CG GLU A 14 2.627 -7.205 12.518 1.00 0.00 C ATOM 212 CD GLU A 14 2.802 -6.385 13.797 1.00 0.00 C ATOM 213 OE1 GLU A 14 2.600 -5.183 13.739 1.00 0.00 O ATOM 214 OE2 GLU A 14 3.135 -6.971 14.813 1.00 0.00 O ATOM 0 H GLU A 14 5.029 -6.301 9.438 1.00 0.00 H new ATOM 0 HA GLU A 14 3.621 -8.615 10.468 1.00 0.00 H new ATOM 0 HB2 GLU A 14 4.620 -6.727 11.830 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.379 -5.660 11.206 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.601 -7.124 12.159 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.811 -8.260 12.722 1.00 0.00 H new ATOM 221 N VAL A 15 1.826 -6.232 9.040 1.00 0.00 N ATOM 222 CA VAL A 15 0.502 -6.022 8.404 1.00 0.00 C ATOM 223 C VAL A 15 0.283 -7.157 7.406 1.00 0.00 C ATOM 224 O VAL A 15 -0.792 -7.701 7.302 1.00 0.00 O ATOM 225 CB VAL A 15 0.477 -4.661 7.704 1.00 0.00 C ATOM 226 CG1 VAL A 15 1.421 -4.676 6.504 1.00 0.00 C ATOM 227 CG2 VAL A 15 -0.946 -4.353 7.240 1.00 0.00 C ATOM 0 H VAL A 15 2.458 -5.432 9.017 1.00 0.00 H new ATOM 0 HA VAL A 15 -0.296 -6.027 9.147 1.00 0.00 H new ATOM 0 HB VAL A 15 0.805 -3.891 8.402 1.00 0.00 H new ATOM 0 HG11 VAL A 15 1.398 -3.704 6.011 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.436 -4.888 6.842 1.00 0.00 H new ATOM 0 HG13 VAL A 15 1.104 -5.447 5.802 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -0.964 -3.384 6.741 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -1.277 -5.125 6.545 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -1.613 -4.330 8.102 1.00 0.00 H new ATOM 237 N THR A 16 1.308 -7.549 6.698 1.00 0.00 N ATOM 238 CA THR A 16 1.157 -8.671 5.740 1.00 0.00 C ATOM 239 C THR A 16 0.542 -9.868 6.471 1.00 0.00 C ATOM 240 O THR A 16 -0.386 -10.487 5.992 1.00 0.00 O ATOM 241 CB THR A 16 2.542 -9.053 5.187 1.00 0.00 C ATOM 242 OG1 THR A 16 3.498 -8.200 5.762 1.00 0.00 O ATOM 243 CG2 THR A 16 2.560 -8.889 3.673 1.00 0.00 C ATOM 0 H THR A 16 2.241 -7.139 6.745 1.00 0.00 H new ATOM 0 HA THR A 16 0.509 -8.376 4.915 1.00 0.00 H new ATOM 0 HB THR A 16 2.765 -10.092 5.430 1.00 0.00 H new ATOM 0 HG1 THR A 16 3.455 -7.322 5.329 1.00 0.00 H new ATOM 0 HG21 THR A 16 3.543 -9.161 3.289 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.805 -9.537 3.228 1.00 0.00 H new ATOM 0 HG23 THR A 16 2.345 -7.852 3.417 1.00 0.00 H new ATOM 251 N LYS A 17 1.071 -10.204 7.628 1.00 0.00 N ATOM 252 CA LYS A 17 0.528 -11.368 8.390 1.00 0.00 C ATOM 253 C LYS A 17 -1.002 -11.290 8.372 1.00 0.00 C ATOM 254 O LYS A 17 -1.673 -12.275 8.137 1.00 0.00 O ATOM 255 CB LYS A 17 1.080 -11.351 9.841 1.00 0.00 C ATOM 256 CG LYS A 17 2.012 -12.548 10.073 1.00 0.00 C ATOM 257 CD LYS A 17 2.672 -12.425 11.448 1.00 0.00 C ATOM 258 CE LYS A 17 3.627 -13.600 11.666 1.00 0.00 C ATOM 259 NZ LYS A 17 2.849 -14.870 11.704 1.00 0.00 N ATOM 0 H LYS A 17 1.852 -9.722 8.072 1.00 0.00 H new ATOM 0 HA LYS A 17 0.840 -12.306 7.930 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.620 -10.421 10.021 1.00 0.00 H new ATOM 0 HB3 LYS A 17 0.254 -11.382 10.551 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.448 -13.479 10.011 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.774 -12.585 9.295 1.00 0.00 H new ATOM 0 HD2 LYS A 17 3.216 -11.483 11.518 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.911 -12.412 12.228 1.00 0.00 H new ATOM 0 HE2 LYS A 17 4.365 -13.637 10.865 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.176 -13.469 12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.424 -15.616 12.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.980 -14.729 12.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.599 -15.153 10.735 1.00 0.00 H new ATOM 273 N LEU A 18 -1.563 -10.121 8.565 1.00 0.00 N ATOM 274 CA LEU A 18 -3.060 -10.017 8.491 1.00 0.00 C ATOM 275 C LEU A 18 -3.446 -9.796 7.019 1.00 0.00 C ATOM 276 O LEU A 18 -4.166 -10.584 6.438 1.00 0.00 O ATOM 277 CB LEU A 18 -3.625 -8.859 9.365 1.00 0.00 C ATOM 278 CG LEU A 18 -2.506 -8.086 10.068 1.00 0.00 C ATOM 279 CD1 LEU A 18 -3.066 -6.754 10.576 1.00 0.00 C ATOM 280 CD2 LEU A 18 -1.979 -8.908 11.249 1.00 0.00 C ATOM 0 H LEU A 18 -1.067 -9.253 8.766 1.00 0.00 H new ATOM 0 HA LEU A 18 -3.491 -10.939 8.882 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -4.201 -8.178 8.739 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.311 -9.265 10.109 1.00 0.00 H new ATOM 0 HG LEU A 18 -1.690 -7.900 9.370 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.276 -6.195 11.079 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -3.442 -6.173 9.734 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -3.878 -6.945 11.277 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -1.182 -8.357 11.749 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -2.790 -9.093 11.954 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -1.590 -9.859 10.885 1.00 0.00 H new ATOM 292 N ILE A 19 -2.961 -8.731 6.413 1.00 0.00 N ATOM 293 CA ILE A 19 -3.282 -8.444 4.984 1.00 0.00 C ATOM 294 C ILE A 19 -3.202 -9.739 4.175 1.00 0.00 C ATOM 295 O ILE A 19 -3.738 -9.822 3.089 1.00 0.00 O ATOM 296 CB ILE A 19 -2.263 -7.397 4.463 1.00 0.00 C ATOM 297 CG1 ILE A 19 -2.920 -6.016 4.325 1.00 0.00 C ATOM 298 CG2 ILE A 19 -1.654 -7.788 3.107 1.00 0.00 C ATOM 299 CD1 ILE A 19 -1.844 -4.941 4.102 1.00 0.00 C ATOM 0 H ILE A 19 -2.351 -8.046 6.858 1.00 0.00 H new ATOM 0 HA ILE A 19 -4.292 -8.046 4.883 1.00 0.00 H new ATOM 0 HB ILE A 19 -1.463 -7.362 5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -3.621 -6.019 3.490 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.495 -5.786 5.222 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -0.948 -7.020 2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -1.134 -8.741 3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -2.447 -7.880 2.365 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -2.319 -3.965 4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -1.160 -4.929 4.951 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -1.288 -5.166 3.192 1.00 0.00 H new ATOM 311 N ASP A 20 -2.533 -10.744 4.694 1.00 0.00 N ATOM 312 CA ASP A 20 -2.425 -12.030 3.947 1.00 0.00 C ATOM 313 C ASP A 20 -3.797 -12.344 3.337 1.00 0.00 C ATOM 314 O ASP A 20 -3.921 -12.587 2.154 1.00 0.00 O ATOM 315 CB ASP A 20 -2.022 -13.153 4.907 1.00 0.00 C ATOM 316 CG ASP A 20 -0.539 -13.022 5.264 1.00 0.00 C ATOM 317 OD1 ASP A 20 0.158 -12.301 4.570 1.00 0.00 O ATOM 318 OD2 ASP A 20 -0.126 -13.648 6.227 1.00 0.00 O ATOM 0 H ASP A 20 -2.061 -10.725 5.598 1.00 0.00 H new ATOM 0 HA ASP A 20 -1.671 -11.949 3.164 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -2.629 -13.106 5.811 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -2.210 -14.123 4.447 1.00 0.00 H new ATOM 323 N ASN A 21 -4.834 -12.281 4.144 1.00 0.00 N ATOM 324 CA ASN A 21 -6.215 -12.515 3.631 1.00 0.00 C ATOM 325 C ASN A 21 -7.243 -12.098 4.690 1.00 0.00 C ATOM 326 O ASN A 21 -8.431 -12.106 4.438 1.00 0.00 O ATOM 327 CB ASN A 21 -6.421 -13.997 3.285 1.00 0.00 C ATOM 328 CG ASN A 21 -5.809 -14.311 1.918 1.00 0.00 C ATOM 329 OD1 ASN A 21 -4.842 -15.042 1.826 1.00 0.00 O ATOM 330 ND2 ASN A 21 -6.335 -13.788 0.844 1.00 0.00 N ATOM 0 H ASN A 21 -4.777 -12.076 5.141 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.350 -11.917 2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -5.962 -14.624 4.050 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -7.485 -14.232 3.278 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.935 -13.993 -0.072 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -7.146 -13.175 0.920 1.00 0.00 H new ATOM 337 N ASN A 22 -6.813 -11.733 5.866 1.00 0.00 N ATOM 338 CA ASN A 22 -7.801 -11.323 6.905 1.00 0.00 C ATOM 339 C ASN A 22 -8.731 -10.262 6.311 1.00 0.00 C ATOM 340 O ASN A 22 -9.903 -10.200 6.624 1.00 0.00 O ATOM 341 CB ASN A 22 -7.070 -10.768 8.132 1.00 0.00 C ATOM 342 CG ASN A 22 -6.499 -9.377 7.838 1.00 0.00 C ATOM 343 OD1 ASN A 22 -6.006 -9.110 6.659 1.00 0.00 O flip ATOM 344 ND2 ASN A 22 -6.510 -8.516 8.696 1.00 0.00 N flip ATOM 0 H ASN A 22 -5.834 -11.701 6.151 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.389 -12.185 7.219 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.756 -10.714 8.977 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -6.265 -11.444 8.419 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -6.894 -8.720 9.619 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -6.135 -7.589 8.493 1.00 0.00 H new ATOM 351 N LYS A 23 -8.208 -9.438 5.437 1.00 0.00 N ATOM 352 CA LYS A 23 -9.035 -8.378 4.784 1.00 0.00 C ATOM 353 C LYS A 23 -9.237 -8.758 3.314 1.00 0.00 C ATOM 354 O LYS A 23 -8.322 -9.206 2.653 1.00 0.00 O ATOM 355 CB LYS A 23 -8.302 -7.029 4.896 1.00 0.00 C ATOM 356 CG LYS A 23 -7.050 -7.013 3.985 1.00 0.00 C ATOM 357 CD LYS A 23 -7.386 -6.383 2.609 1.00 0.00 C ATOM 358 CE LYS A 23 -6.525 -7.007 1.501 1.00 0.00 C ATOM 359 NZ LYS A 23 -5.112 -6.562 1.660 1.00 0.00 N ATOM 0 H LYS A 23 -7.231 -9.456 5.145 1.00 0.00 H new ATOM 0 HA LYS A 23 -10.006 -8.290 5.271 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.974 -6.219 4.614 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -8.008 -6.853 5.931 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -6.251 -6.447 4.465 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.682 -8.029 3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -8.442 -6.532 2.383 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -7.217 -5.307 2.645 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.583 -8.094 1.550 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.903 -6.711 0.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.652 -6.527 0.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -5.092 -5.616 2.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -4.604 -7.232 2.272 1.00 0.00 H new ATOM 373 N THR A 24 -10.430 -8.593 2.797 1.00 0.00 N ATOM 374 CA THR A 24 -10.694 -8.954 1.364 1.00 0.00 C ATOM 375 C THR A 24 -10.674 -7.688 0.499 1.00 0.00 C ATOM 376 O THR A 24 -10.273 -6.631 0.942 1.00 0.00 O ATOM 377 CB THR A 24 -12.057 -9.644 1.259 1.00 0.00 C ATOM 378 OG1 THR A 24 -12.999 -8.953 2.067 1.00 0.00 O ATOM 379 CG2 THR A 24 -11.933 -11.094 1.740 1.00 0.00 C ATOM 0 H THR A 24 -11.235 -8.224 3.304 1.00 0.00 H new ATOM 0 HA THR A 24 -9.920 -9.634 1.008 1.00 0.00 H new ATOM 0 HB THR A 24 -12.393 -9.634 0.222 1.00 0.00 H new ATOM 0 HG1 THR A 24 -13.872 -9.392 2.000 1.00 0.00 H new ATOM 0 HG21 THR A 24 -12.903 -11.586 1.666 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.209 -11.623 1.119 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.599 -11.106 2.777 1.00 0.00 H new ATOM 387 N GLU A 25 -11.080 -7.789 -0.742 1.00 0.00 N ATOM 388 CA GLU A 25 -11.055 -6.593 -1.645 1.00 0.00 C ATOM 389 C GLU A 25 -12.412 -5.892 -1.674 1.00 0.00 C ATOM 390 O GLU A 25 -12.578 -4.888 -2.340 1.00 0.00 O ATOM 391 CB GLU A 25 -10.700 -7.034 -3.067 1.00 0.00 C ATOM 392 CG GLU A 25 -11.592 -8.209 -3.494 1.00 0.00 C ATOM 393 CD GLU A 25 -11.038 -9.518 -2.923 1.00 0.00 C ATOM 394 OE1 GLU A 25 -9.960 -9.912 -3.336 1.00 0.00 O ATOM 395 OE2 GLU A 25 -11.702 -10.104 -2.084 1.00 0.00 O ATOM 0 H GLU A 25 -11.428 -8.647 -1.170 1.00 0.00 H new ATOM 0 HA GLU A 25 -10.309 -5.897 -1.262 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -10.829 -6.200 -3.757 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -9.651 -7.328 -3.114 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -12.611 -8.050 -3.141 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -11.637 -8.267 -4.582 1.00 0.00 H new ATOM 402 N LYS A 26 -13.384 -6.387 -0.965 1.00 0.00 N ATOM 403 CA LYS A 26 -14.711 -5.712 -0.974 1.00 0.00 C ATOM 404 C LYS A 26 -14.665 -4.554 0.016 1.00 0.00 C ATOM 405 O LYS A 26 -15.333 -3.551 -0.146 1.00 0.00 O ATOM 406 CB LYS A 26 -15.818 -6.706 -0.587 1.00 0.00 C ATOM 407 CG LYS A 26 -15.503 -7.371 0.762 1.00 0.00 C ATOM 408 CD LYS A 26 -16.255 -8.707 0.880 1.00 0.00 C ATOM 409 CE LYS A 26 -15.692 -9.741 -0.120 1.00 0.00 C ATOM 410 NZ LYS A 26 -16.554 -9.769 -1.335 1.00 0.00 N ATOM 0 H LYS A 26 -13.320 -7.223 -0.384 1.00 0.00 H new ATOM 0 HA LYS A 26 -14.933 -5.337 -1.973 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -16.775 -6.187 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -15.916 -7.468 -1.360 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -14.430 -7.540 0.852 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -15.791 -6.709 1.579 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -16.167 -9.091 1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -17.317 -8.550 0.690 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -14.669 -9.482 -0.392 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -15.659 -10.729 0.340 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -16.987 -10.710 -1.432 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -17.301 -9.051 -1.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -15.976 -9.566 -2.175 1.00 0.00 H new ATOM 424 N GLU A 27 -13.850 -4.673 1.029 1.00 0.00 N ATOM 425 CA GLU A 27 -13.734 -3.577 2.021 1.00 0.00 C ATOM 426 C GLU A 27 -12.776 -2.524 1.471 1.00 0.00 C ATOM 427 O GLU A 27 -12.746 -1.396 1.920 1.00 0.00 O ATOM 428 CB GLU A 27 -13.186 -4.133 3.337 1.00 0.00 C ATOM 429 CG GLU A 27 -14.094 -5.260 3.834 1.00 0.00 C ATOM 430 CD GLU A 27 -13.588 -5.768 5.184 1.00 0.00 C ATOM 431 OE1 GLU A 27 -12.654 -6.553 5.188 1.00 0.00 O ATOM 432 OE2 GLU A 27 -14.145 -5.365 6.193 1.00 0.00 O ATOM 0 H GLU A 27 -13.260 -5.485 1.209 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.712 -3.132 2.204 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.172 -4.506 3.192 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.130 -3.341 4.084 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -15.118 -4.900 3.930 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -14.109 -6.075 3.110 1.00 0.00 H new ATOM 439 N ILE A 28 -11.993 -2.889 0.492 1.00 0.00 N ATOM 440 CA ILE A 28 -11.035 -1.929 -0.104 1.00 0.00 C ATOM 441 C ILE A 28 -11.743 -1.100 -1.170 1.00 0.00 C ATOM 442 O ILE A 28 -12.012 0.070 -0.986 1.00 0.00 O ATOM 443 CB ILE A 28 -9.900 -2.706 -0.769 1.00 0.00 C ATOM 444 CG1 ILE A 28 -9.137 -3.547 0.270 1.00 0.00 C ATOM 445 CG2 ILE A 28 -8.953 -1.724 -1.448 1.00 0.00 C ATOM 446 CD1 ILE A 28 -8.640 -2.672 1.427 1.00 0.00 C ATOM 0 H ILE A 28 -11.980 -3.822 0.079 1.00 0.00 H new ATOM 0 HA ILE A 28 -10.643 -1.276 0.676 1.00 0.00 H new ATOM 0 HB ILE A 28 -10.319 -3.384 -1.512 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -9.787 -4.332 0.656 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -8.290 -4.041 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -8.141 -2.272 -1.925 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -9.498 -1.155 -2.201 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -8.542 -1.041 -0.704 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -8.104 -3.291 2.147 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -7.971 -1.903 1.040 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -9.491 -2.199 1.917 1.00 0.00 H new ATOM 458 N LEU A 29 -12.041 -1.700 -2.293 1.00 0.00 N ATOM 459 CA LEU A 29 -12.725 -0.948 -3.378 1.00 0.00 C ATOM 460 C LEU A 29 -13.893 -0.159 -2.785 1.00 0.00 C ATOM 461 O LEU A 29 -14.225 0.916 -3.243 1.00 0.00 O ATOM 462 CB LEU A 29 -13.226 -1.928 -4.446 1.00 0.00 C ATOM 463 CG LEU A 29 -12.035 -2.711 -5.033 1.00 0.00 C ATOM 464 CD1 LEU A 29 -12.536 -4.000 -5.688 1.00 0.00 C ATOM 465 CD2 LEU A 29 -11.304 -1.864 -6.089 1.00 0.00 C ATOM 0 H LEU A 29 -11.839 -2.678 -2.502 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.027 -0.252 -3.844 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -13.948 -2.618 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -13.742 -1.385 -5.238 1.00 0.00 H new ATOM 0 HG LEU A 29 -11.345 -2.950 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -11.691 -4.550 -6.102 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.040 -4.615 -4.942 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.235 -3.754 -6.487 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.466 -2.431 -6.494 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.994 -1.612 -6.894 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -10.934 -0.948 -5.628 1.00 0.00 H new ATOM 477 N ASP A 30 -14.500 -0.664 -1.741 1.00 0.00 N ATOM 478 CA ASP A 30 -15.614 0.094 -1.111 1.00 0.00 C ATOM 479 C ASP A 30 -15.006 1.273 -0.349 1.00 0.00 C ATOM 480 O ASP A 30 -15.427 2.413 -0.487 1.00 0.00 O ATOM 481 CB ASP A 30 -16.378 -0.815 -0.146 1.00 0.00 C ATOM 482 CG ASP A 30 -17.167 -1.857 -0.941 1.00 0.00 C ATOM 483 OD1 ASP A 30 -16.714 -2.223 -2.014 1.00 0.00 O ATOM 484 OD2 ASP A 30 -18.210 -2.273 -0.464 1.00 0.00 O ATOM 0 H ASP A 30 -14.274 -1.558 -1.305 1.00 0.00 H new ATOM 0 HA ASP A 30 -16.310 0.452 -1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -15.682 -1.310 0.532 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -17.055 -0.222 0.469 1.00 0.00 H new ATOM 489 N ALA A 31 -13.991 1.012 0.439 1.00 0.00 N ATOM 490 CA ALA A 31 -13.330 2.115 1.190 1.00 0.00 C ATOM 491 C ALA A 31 -13.103 3.283 0.244 1.00 0.00 C ATOM 492 O ALA A 31 -13.503 4.393 0.513 1.00 0.00 O ATOM 493 CB ALA A 31 -11.992 1.648 1.746 1.00 0.00 C ATOM 0 H ALA A 31 -13.596 0.084 0.592 1.00 0.00 H new ATOM 0 HA ALA A 31 -13.967 2.419 2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -11.520 2.465 2.293 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -12.152 0.806 2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -11.345 1.339 0.925 1.00 0.00 H new ATOM 499 N PHE A 32 -12.483 3.048 -0.879 1.00 0.00 N ATOM 500 CA PHE A 32 -12.272 4.166 -1.832 1.00 0.00 C ATOM 501 C PHE A 32 -13.622 4.849 -2.069 1.00 0.00 C ATOM 502 O PHE A 32 -13.717 6.055 -2.132 1.00 0.00 O ATOM 503 CB PHE A 32 -11.703 3.633 -3.156 1.00 0.00 C ATOM 504 CG PHE A 32 -10.237 3.298 -2.984 1.00 0.00 C ATOM 505 CD1 PHE A 32 -9.271 4.310 -3.061 1.00 0.00 C ATOM 506 CD2 PHE A 32 -9.841 1.973 -2.757 1.00 0.00 C ATOM 507 CE1 PHE A 32 -7.915 3.998 -2.908 1.00 0.00 C ATOM 508 CE2 PHE A 32 -8.484 1.663 -2.605 1.00 0.00 C ATOM 509 CZ PHE A 32 -7.523 2.675 -2.680 1.00 0.00 C ATOM 0 H PHE A 32 -12.119 2.142 -1.173 1.00 0.00 H new ATOM 0 HA PHE A 32 -11.558 4.881 -1.423 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -12.254 2.746 -3.469 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -11.826 4.378 -3.942 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -9.573 5.332 -3.239 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -10.583 1.190 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.171 4.779 -2.966 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -8.180 0.642 -2.430 1.00 0.00 H new ATOM 0 HZ PHE A 32 -6.477 2.435 -2.562 1.00 0.00 H new ATOM 519 N ASP A 33 -14.684 4.095 -2.161 1.00 0.00 N ATOM 520 CA ASP A 33 -16.008 4.735 -2.364 1.00 0.00 C ATOM 521 C ASP A 33 -16.329 5.597 -1.145 1.00 0.00 C ATOM 522 O ASP A 33 -17.351 6.249 -1.088 1.00 0.00 O ATOM 523 CB ASP A 33 -17.087 3.663 -2.547 1.00 0.00 C ATOM 524 CG ASP A 33 -18.339 4.295 -3.158 1.00 0.00 C ATOM 525 OD1 ASP A 33 -18.431 5.511 -3.149 1.00 0.00 O ATOM 526 OD2 ASP A 33 -19.187 3.551 -3.624 1.00 0.00 O ATOM 0 H ASP A 33 -14.690 3.077 -2.105 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.983 5.357 -3.259 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -16.717 2.867 -3.193 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -17.329 3.208 -1.586 1.00 0.00 H new ATOM 531 N LYS A 34 -15.456 5.591 -0.163 1.00 0.00 N ATOM 532 CA LYS A 34 -15.682 6.410 1.079 1.00 0.00 C ATOM 533 C LYS A 34 -14.645 7.540 1.180 1.00 0.00 C ATOM 534 O LYS A 34 -14.986 8.706 1.150 1.00 0.00 O ATOM 535 CB LYS A 34 -15.558 5.512 2.317 1.00 0.00 C ATOM 536 CG LYS A 34 -16.465 4.288 2.157 1.00 0.00 C ATOM 537 CD LYS A 34 -16.261 3.323 3.346 1.00 0.00 C ATOM 538 CE LYS A 34 -16.584 1.883 2.929 1.00 0.00 C ATOM 539 NZ LYS A 34 -18.057 1.729 2.763 1.00 0.00 N ATOM 0 H LYS A 34 -14.591 5.051 -0.167 1.00 0.00 H new ATOM 0 HA LYS A 34 -16.680 6.845 1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -14.523 5.196 2.447 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -15.836 6.069 3.212 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.508 4.601 2.107 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -16.240 3.778 1.221 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -15.232 3.384 3.699 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -16.901 3.620 4.177 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.075 1.641 1.996 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.218 1.185 3.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -18.274 0.752 2.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -18.532 1.943 3.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -18.394 2.385 2.030 1.00 0.00 H new ATOM 553 N MET A 35 -13.386 7.218 1.321 1.00 0.00 N ATOM 554 CA MET A 35 -12.357 8.297 1.440 1.00 0.00 C ATOM 555 C MET A 35 -12.253 9.031 0.105 1.00 0.00 C ATOM 556 O MET A 35 -12.271 10.244 0.040 1.00 0.00 O ATOM 557 CB MET A 35 -10.969 7.717 1.785 1.00 0.00 C ATOM 558 CG MET A 35 -11.063 6.599 2.841 1.00 0.00 C ATOM 559 SD MET A 35 -9.697 5.430 2.591 1.00 0.00 S ATOM 560 CE MET A 35 -10.234 4.773 0.988 1.00 0.00 C ATOM 0 H MET A 35 -13.026 6.264 1.359 1.00 0.00 H new ATOM 0 HA MET A 35 -12.663 8.972 2.239 1.00 0.00 H new ATOM 0 HB2 MET A 35 -10.504 7.325 0.881 1.00 0.00 H new ATOM 0 HB3 MET A 35 -10.324 8.514 2.155 1.00 0.00 H new ATOM 0 HG2 MET A 35 -11.016 7.024 3.844 1.00 0.00 H new ATOM 0 HG3 MET A 35 -12.020 6.083 2.758 1.00 0.00 H new ATOM 0 HE1 MET A 35 -10.295 3.686 1.042 1.00 0.00 H new ATOM 0 HE2 MET A 35 -11.214 5.179 0.738 1.00 0.00 H new ATOM 0 HE3 MET A 35 -9.516 5.058 0.219 1.00 0.00 H new ATOM 570 N CYS A 36 -12.136 8.291 -0.961 1.00 0.00 N ATOM 571 CA CYS A 36 -12.021 8.917 -2.301 1.00 0.00 C ATOM 572 C CYS A 36 -13.403 9.408 -2.729 1.00 0.00 C ATOM 573 O CYS A 36 -13.604 9.862 -3.838 1.00 0.00 O ATOM 574 CB CYS A 36 -11.494 7.861 -3.277 1.00 0.00 C ATOM 575 SG CYS A 36 -11.049 8.643 -4.837 1.00 0.00 S ATOM 0 H CYS A 36 -12.115 7.271 -0.958 1.00 0.00 H new ATOM 0 HA CYS A 36 -11.336 9.765 -2.286 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -10.626 7.359 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -12.253 7.097 -3.446 1.00 0.00 H new ATOM 580 N SER A 37 -14.358 9.331 -1.836 1.00 0.00 N ATOM 581 CA SER A 37 -15.739 9.803 -2.151 1.00 0.00 C ATOM 582 C SER A 37 -15.880 11.252 -1.680 1.00 0.00 C ATOM 583 O SER A 37 -16.556 12.055 -2.293 1.00 0.00 O ATOM 584 CB SER A 37 -16.758 8.915 -1.418 1.00 0.00 C ATOM 585 OG SER A 37 -17.654 9.722 -0.660 1.00 0.00 O ATOM 0 H SER A 37 -14.237 8.958 -0.894 1.00 0.00 H new ATOM 0 HA SER A 37 -15.922 9.746 -3.224 1.00 0.00 H new ATOM 0 HB2 SER A 37 -17.316 8.317 -2.139 1.00 0.00 H new ATOM 0 HB3 SER A 37 -16.238 8.218 -0.760 1.00 0.00 H new ATOM 0 HG SER A 37 -18.300 9.148 -0.198 1.00 0.00 H new ATOM 591 N LYS A 38 -15.246 11.584 -0.583 1.00 0.00 N ATOM 592 CA LYS A 38 -15.331 12.973 -0.036 1.00 0.00 C ATOM 593 C LYS A 38 -14.026 13.725 -0.312 1.00 0.00 C ATOM 594 O LYS A 38 -13.635 14.584 0.454 1.00 0.00 O ATOM 595 CB LYS A 38 -15.552 12.898 1.476 1.00 0.00 C ATOM 596 CG LYS A 38 -14.335 12.240 2.133 1.00 0.00 C ATOM 597 CD LYS A 38 -14.674 11.850 3.574 1.00 0.00 C ATOM 598 CE LYS A 38 -13.385 11.500 4.323 1.00 0.00 C ATOM 599 NZ LYS A 38 -13.708 11.168 5.740 1.00 0.00 N ATOM 0 H LYS A 38 -14.667 10.945 -0.038 1.00 0.00 H new ATOM 0 HA LYS A 38 -16.157 13.499 -0.514 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.703 13.898 1.883 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.453 12.325 1.696 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.038 11.357 1.568 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -13.488 12.926 2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -15.186 12.672 4.074 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -15.355 10.999 3.581 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -12.891 10.655 3.844 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -12.690 12.339 4.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -12.833 10.930 6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -14.161 11.987 6.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -14.356 10.355 5.767 1.00 0.00 H new ATOM 613 N LEU A 39 -13.352 13.419 -1.398 1.00 0.00 N ATOM 614 CA LEU A 39 -12.074 14.117 -1.731 1.00 0.00 C ATOM 615 C LEU A 39 -12.366 14.946 -3.015 1.00 0.00 C ATOM 616 O LEU A 39 -13.212 14.554 -3.795 1.00 0.00 O ATOM 617 CB LEU A 39 -10.979 13.008 -1.885 1.00 0.00 C ATOM 618 CG LEU A 39 -10.266 13.058 -3.245 1.00 0.00 C ATOM 619 CD1 LEU A 39 -8.940 12.274 -3.172 1.00 0.00 C ATOM 620 CD2 LEU A 39 -11.173 12.455 -4.327 1.00 0.00 C ATOM 0 H LEU A 39 -13.639 12.709 -2.071 1.00 0.00 H new ATOM 0 HA LEU A 39 -11.703 14.810 -0.976 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -10.242 13.119 -1.090 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -11.440 12.029 -1.758 1.00 0.00 H new ATOM 0 HG LEU A 39 -10.049 14.096 -3.498 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -8.440 12.314 -4.140 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -8.296 12.718 -2.412 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -9.145 11.236 -2.912 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -10.664 12.492 -5.290 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -11.400 11.419 -4.076 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -12.100 13.025 -4.384 1.00 0.00 H new ATOM 632 N PRO A 40 -11.727 16.094 -3.182 1.00 0.00 N ATOM 633 CA PRO A 40 -12.001 16.974 -4.341 1.00 0.00 C ATOM 634 C PRO A 40 -12.267 16.192 -5.636 1.00 0.00 C ATOM 635 O PRO A 40 -11.648 15.190 -5.922 1.00 0.00 O ATOM 636 CB PRO A 40 -10.757 17.871 -4.443 1.00 0.00 C ATOM 637 CG PRO A 40 -10.024 17.776 -3.071 1.00 0.00 C ATOM 638 CD PRO A 40 -10.680 16.619 -2.276 1.00 0.00 C ATOM 0 HA PRO A 40 -12.914 17.552 -4.200 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -10.107 17.541 -5.253 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -11.039 18.901 -4.661 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -8.960 17.588 -3.216 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -10.110 18.715 -2.524 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.952 15.849 -2.022 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -11.108 16.974 -1.338 1.00 0.00 H new ATOM 646 N LYS A 41 -13.206 16.673 -6.411 1.00 0.00 N ATOM 647 CA LYS A 41 -13.574 16.017 -7.696 1.00 0.00 C ATOM 648 C LYS A 41 -12.332 15.752 -8.541 1.00 0.00 C ATOM 649 O LYS A 41 -12.046 14.633 -8.912 1.00 0.00 O ATOM 650 CB LYS A 41 -14.511 16.953 -8.452 1.00 0.00 C ATOM 651 CG LYS A 41 -15.226 16.192 -9.570 1.00 0.00 C ATOM 652 CD LYS A 41 -16.070 17.176 -10.408 1.00 0.00 C ATOM 653 CE LYS A 41 -15.272 17.666 -11.625 1.00 0.00 C ATOM 654 NZ LYS A 41 -14.087 18.445 -11.168 1.00 0.00 N ATOM 0 H LYS A 41 -13.744 17.513 -6.199 1.00 0.00 H new ATOM 0 HA LYS A 41 -14.059 15.062 -7.494 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -15.243 17.379 -7.766 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -13.946 17.785 -8.872 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -14.497 15.690 -10.206 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -15.866 15.418 -9.146 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -16.987 16.688 -10.739 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -16.366 18.026 -9.793 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -14.950 16.816 -12.227 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -15.904 18.286 -12.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.737 19.035 -11.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.359 19.054 -10.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -13.337 17.791 -10.865 1.00 0.00 H new ATOM 668 N SER A 42 -11.603 16.780 -8.854 1.00 0.00 N ATOM 669 CA SER A 42 -10.372 16.613 -9.683 1.00 0.00 C ATOM 670 C SER A 42 -9.572 15.416 -9.169 1.00 0.00 C ATOM 671 O SER A 42 -9.216 14.515 -9.906 1.00 0.00 O ATOM 672 CB SER A 42 -9.517 17.872 -9.560 1.00 0.00 C ATOM 673 OG SER A 42 -8.523 17.868 -10.577 1.00 0.00 O ATOM 0 H SER A 42 -11.804 17.739 -8.571 1.00 0.00 H new ATOM 0 HA SER A 42 -10.650 16.449 -10.724 1.00 0.00 H new ATOM 0 HB2 SER A 42 -10.142 18.760 -9.651 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.047 17.912 -8.577 1.00 0.00 H new ATOM 0 HG SER A 42 -7.974 18.676 -10.501 1.00 0.00 H new ATOM 679 N LEU A 43 -9.295 15.406 -7.903 1.00 0.00 N ATOM 680 CA LEU A 43 -8.527 14.283 -7.316 1.00 0.00 C ATOM 681 C LEU A 43 -9.434 13.058 -7.190 1.00 0.00 C ATOM 682 O LEU A 43 -9.013 12.041 -6.704 1.00 0.00 O ATOM 683 CB LEU A 43 -8.010 14.688 -5.928 1.00 0.00 C ATOM 684 CG LEU A 43 -6.755 15.576 -6.064 1.00 0.00 C ATOM 685 CD1 LEU A 43 -6.612 16.469 -4.827 1.00 0.00 C ATOM 686 CD2 LEU A 43 -5.497 14.702 -6.198 1.00 0.00 C ATOM 0 H LEU A 43 -9.570 16.134 -7.243 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.681 14.042 -7.960 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -8.787 15.226 -5.385 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -7.773 13.797 -5.346 1.00 0.00 H new ATOM 0 HG LEU A 43 -6.863 16.194 -6.955 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -5.724 17.093 -4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.493 17.104 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -6.517 15.846 -3.938 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.619 15.341 -6.293 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.395 14.074 -5.313 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.585 14.071 -7.083 1.00 0.00 H new ATOM 698 N SER A 44 -10.674 13.150 -7.618 1.00 0.00 N ATOM 699 CA SER A 44 -11.605 11.984 -7.515 1.00 0.00 C ATOM 700 C SER A 44 -11.564 11.221 -8.825 1.00 0.00 C ATOM 701 O SER A 44 -11.807 10.031 -8.874 1.00 0.00 O ATOM 702 CB SER A 44 -13.028 12.477 -7.239 1.00 0.00 C ATOM 703 OG SER A 44 -13.615 12.935 -8.450 1.00 0.00 O ATOM 0 H SER A 44 -11.080 13.988 -8.035 1.00 0.00 H new ATOM 0 HA SER A 44 -11.300 11.333 -6.696 1.00 0.00 H new ATOM 0 HB2 SER A 44 -13.627 11.672 -6.814 1.00 0.00 H new ATOM 0 HB3 SER A 44 -13.009 13.282 -6.504 1.00 0.00 H new ATOM 0 HG SER A 44 -12.979 13.510 -8.925 1.00 0.00 H new ATOM 709 N GLU A 45 -11.231 11.893 -9.892 1.00 0.00 N ATOM 710 CA GLU A 45 -11.150 11.196 -11.196 1.00 0.00 C ATOM 711 C GLU A 45 -9.773 10.544 -11.308 1.00 0.00 C ATOM 712 O GLU A 45 -9.623 9.468 -11.855 1.00 0.00 O ATOM 713 CB GLU A 45 -11.361 12.186 -12.348 1.00 0.00 C ATOM 714 CG GLU A 45 -10.552 13.461 -12.107 1.00 0.00 C ATOM 715 CD GLU A 45 -10.499 14.282 -13.396 1.00 0.00 C ATOM 716 OE1 GLU A 45 -11.453 14.996 -13.660 1.00 0.00 O ATOM 717 OE2 GLU A 45 -9.506 14.183 -14.098 1.00 0.00 O ATOM 0 H GLU A 45 -11.013 12.889 -9.913 1.00 0.00 H new ATOM 0 HA GLU A 45 -11.930 10.437 -11.258 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.059 11.728 -13.290 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -12.420 12.430 -12.437 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.006 14.047 -11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.543 13.208 -11.782 1.00 0.00 H new ATOM 724 N GLU A 46 -8.764 11.186 -10.779 1.00 0.00 N ATOM 725 CA GLU A 46 -7.393 10.604 -10.842 1.00 0.00 C ATOM 726 C GLU A 46 -7.205 9.613 -9.691 1.00 0.00 C ATOM 727 O GLU A 46 -6.348 8.755 -9.731 1.00 0.00 O ATOM 728 CB GLU A 46 -6.359 11.725 -10.723 1.00 0.00 C ATOM 729 CG GLU A 46 -6.304 12.513 -12.033 1.00 0.00 C ATOM 730 CD GLU A 46 -5.627 11.665 -13.112 1.00 0.00 C ATOM 731 OE1 GLU A 46 -4.408 11.641 -13.140 1.00 0.00 O ATOM 732 OE2 GLU A 46 -6.340 11.053 -13.890 1.00 0.00 O ATOM 0 H GLU A 46 -8.831 12.088 -10.307 1.00 0.00 H new ATOM 0 HA GLU A 46 -7.261 10.086 -11.792 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -6.620 12.388 -9.898 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.378 11.306 -10.497 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -7.311 12.785 -12.348 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -5.754 13.442 -11.888 1.00 0.00 H new ATOM 739 N CYS A 47 -8.002 9.725 -8.664 1.00 0.00 N ATOM 740 CA CYS A 47 -7.877 8.795 -7.504 1.00 0.00 C ATOM 741 C CYS A 47 -8.524 7.457 -7.857 1.00 0.00 C ATOM 742 O CYS A 47 -8.073 6.411 -7.441 1.00 0.00 O ATOM 743 CB CYS A 47 -8.603 9.419 -6.316 1.00 0.00 C ATOM 744 SG CYS A 47 -9.106 8.172 -5.110 1.00 0.00 S ATOM 0 H CYS A 47 -8.739 10.425 -8.577 1.00 0.00 H new ATOM 0 HA CYS A 47 -6.828 8.628 -7.259 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -7.952 10.149 -5.835 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -9.482 9.959 -6.669 1.00 0.00 H new ATOM 749 N GLN A 48 -9.574 7.482 -8.631 1.00 0.00 N ATOM 750 CA GLN A 48 -10.242 6.219 -9.015 1.00 0.00 C ATOM 751 C GLN A 48 -9.472 5.646 -10.187 1.00 0.00 C ATOM 752 O GLN A 48 -9.523 4.465 -10.471 1.00 0.00 O ATOM 753 CB GLN A 48 -11.686 6.515 -9.428 1.00 0.00 C ATOM 754 CG GLN A 48 -12.553 6.680 -8.177 1.00 0.00 C ATOM 755 CD GLN A 48 -12.799 5.311 -7.540 1.00 0.00 C ATOM 756 OE1 GLN A 48 -12.955 4.325 -8.233 1.00 0.00 O ATOM 757 NE2 GLN A 48 -12.843 5.209 -6.241 1.00 0.00 N ATOM 0 H GLN A 48 -9.995 8.329 -9.013 1.00 0.00 H new ATOM 0 HA GLN A 48 -10.259 5.512 -8.186 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -11.724 7.422 -10.032 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -12.072 5.704 -10.046 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -12.059 7.341 -7.464 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -13.503 7.147 -8.439 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -12.712 6.037 -5.660 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -13.008 4.301 -5.806 1.00 0.00 H new ATOM 766 N GLU A 49 -8.745 6.485 -10.865 1.00 0.00 N ATOM 767 CA GLU A 49 -7.956 6.005 -12.012 1.00 0.00 C ATOM 768 C GLU A 49 -6.878 5.044 -11.503 1.00 0.00 C ATOM 769 O GLU A 49 -6.724 3.939 -11.997 1.00 0.00 O ATOM 770 CB GLU A 49 -7.305 7.198 -12.721 1.00 0.00 C ATOM 771 CG GLU A 49 -6.905 6.801 -14.143 1.00 0.00 C ATOM 772 CD GLU A 49 -5.821 5.723 -14.091 1.00 0.00 C ATOM 773 OE1 GLU A 49 -4.838 5.932 -13.398 1.00 0.00 O ATOM 774 OE2 GLU A 49 -5.991 4.707 -14.745 1.00 0.00 O ATOM 0 H GLU A 49 -8.668 7.483 -10.669 1.00 0.00 H new ATOM 0 HA GLU A 49 -8.602 5.485 -12.719 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -7.999 8.038 -12.750 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -6.427 7.528 -12.165 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -7.775 6.430 -14.686 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -6.539 7.673 -14.685 1.00 0.00 H new ATOM 781 N VAL A 50 -6.128 5.453 -10.514 1.00 0.00 N ATOM 782 CA VAL A 50 -5.065 4.559 -9.983 1.00 0.00 C ATOM 783 C VAL A 50 -5.697 3.333 -9.327 1.00 0.00 C ATOM 784 O VAL A 50 -5.244 2.233 -9.522 1.00 0.00 O ATOM 785 CB VAL A 50 -4.212 5.284 -8.951 1.00 0.00 C ATOM 786 CG1 VAL A 50 -3.024 4.387 -8.595 1.00 0.00 C ATOM 787 CG2 VAL A 50 -3.711 6.611 -9.529 1.00 0.00 C ATOM 0 H VAL A 50 -6.206 6.361 -10.056 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.433 4.254 -10.817 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.801 5.496 -8.059 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.399 4.888 -7.856 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -3.389 3.446 -8.184 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -2.437 4.188 -9.492 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.101 7.125 -8.786 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.112 6.417 -10.419 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -4.563 7.237 -9.795 1.00 0.00 H new ATOM 797 N VAL A 51 -6.740 3.516 -8.550 1.00 0.00 N ATOM 798 CA VAL A 51 -7.409 2.347 -7.883 1.00 0.00 C ATOM 799 C VAL A 51 -7.524 1.205 -8.893 1.00 0.00 C ATOM 800 O VAL A 51 -7.026 0.119 -8.674 1.00 0.00 O ATOM 801 CB VAL A 51 -8.803 2.785 -7.404 1.00 0.00 C ATOM 802 CG1 VAL A 51 -9.643 1.566 -7.011 1.00 0.00 C ATOM 803 CG2 VAL A 51 -8.658 3.715 -6.190 1.00 0.00 C ATOM 0 H VAL A 51 -7.158 4.424 -8.348 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.829 2.006 -7.026 1.00 0.00 H new ATOM 0 HB VAL A 51 -9.303 3.311 -8.217 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.626 1.895 -6.675 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -9.756 0.909 -7.873 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -9.146 1.026 -6.205 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.646 4.026 -5.850 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.147 3.186 -5.385 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.078 4.594 -6.472 1.00 0.00 H new ATOM 813 N ASP A 52 -8.142 1.449 -10.016 1.00 0.00 N ATOM 814 CA ASP A 52 -8.240 0.381 -11.047 1.00 0.00 C ATOM 815 C ASP A 52 -6.830 -0.165 -11.286 1.00 0.00 C ATOM 816 O ASP A 52 -6.630 -1.349 -11.474 1.00 0.00 O ATOM 817 CB ASP A 52 -8.796 0.966 -12.347 1.00 0.00 C ATOM 818 CG ASP A 52 -10.236 1.429 -12.122 1.00 0.00 C ATOM 819 OD1 ASP A 52 -10.481 2.074 -11.116 1.00 0.00 O ATOM 820 OD2 ASP A 52 -11.071 1.132 -12.961 1.00 0.00 O ATOM 0 H ASP A 52 -8.580 2.336 -10.262 1.00 0.00 H new ATOM 0 HA ASP A 52 -8.907 -0.414 -10.713 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -8.180 1.804 -12.674 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -8.763 0.218 -13.139 1.00 0.00 H new ATOM 825 N THR A 53 -5.844 0.701 -11.252 1.00 0.00 N ATOM 826 CA THR A 53 -4.439 0.244 -11.447 1.00 0.00 C ATOM 827 C THR A 53 -3.903 -0.330 -10.131 1.00 0.00 C ATOM 828 O THR A 53 -2.995 -1.138 -10.121 1.00 0.00 O ATOM 829 CB THR A 53 -3.576 1.403 -11.954 1.00 0.00 C ATOM 830 OG1 THR A 53 -4.088 1.848 -13.202 1.00 0.00 O ATOM 831 CG2 THR A 53 -2.128 0.937 -12.143 1.00 0.00 C ATOM 0 H THR A 53 -5.956 1.703 -11.097 1.00 0.00 H new ATOM 0 HA THR A 53 -4.405 -0.544 -12.200 1.00 0.00 H new ATOM 0 HB THR A 53 -3.598 2.214 -11.226 1.00 0.00 H new ATOM 0 HG1 THR A 53 -3.542 2.591 -13.533 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.522 1.768 -12.504 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.732 0.586 -11.190 1.00 0.00 H new ATOM 0 HG23 THR A 53 -2.099 0.125 -12.870 1.00 0.00 H new ATOM 839 N TYR A 54 -4.471 0.074 -9.020 1.00 0.00 N ATOM 840 CA TYR A 54 -4.022 -0.442 -7.688 1.00 0.00 C ATOM 841 C TYR A 54 -5.250 -0.900 -6.905 1.00 0.00 C ATOM 842 O TYR A 54 -5.634 -0.284 -5.930 1.00 0.00 O ATOM 843 CB TYR A 54 -3.335 0.665 -6.893 1.00 0.00 C ATOM 844 CG TYR A 54 -1.979 0.958 -7.480 1.00 0.00 C ATOM 845 CD1 TYR A 54 -1.897 1.549 -8.733 1.00 0.00 C ATOM 846 CD2 TYR A 54 -0.816 0.670 -6.764 1.00 0.00 C ATOM 847 CE1 TYR A 54 -0.659 1.863 -9.288 1.00 0.00 C ATOM 848 CE2 TYR A 54 0.435 0.972 -7.315 1.00 0.00 C ATOM 849 CZ TYR A 54 0.515 1.574 -8.580 1.00 0.00 C ATOM 850 OH TYR A 54 1.746 1.882 -9.123 1.00 0.00 O ATOM 0 H TYR A 54 -5.236 0.748 -8.979 1.00 0.00 H new ATOM 0 HA TYR A 54 -3.323 -1.264 -7.842 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -3.948 1.566 -6.905 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -3.231 0.364 -5.850 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -2.801 1.767 -9.282 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -0.881 0.215 -5.787 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -0.604 2.328 -10.261 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.337 0.742 -6.767 1.00 0.00 H new ATOM 0 HH TYR A 54 2.454 1.616 -8.500 1.00 0.00 H new ATOM 860 N GLY A 55 -5.878 -1.962 -7.331 1.00 0.00 N ATOM 861 CA GLY A 55 -7.096 -2.467 -6.619 1.00 0.00 C ATOM 862 C GLY A 55 -6.988 -3.977 -6.417 1.00 0.00 C ATOM 863 O GLY A 55 -6.900 -4.454 -5.308 1.00 0.00 O ATOM 0 H GLY A 55 -5.601 -2.508 -8.147 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -7.198 -1.968 -5.655 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.990 -2.231 -7.196 1.00 0.00 H new ATOM 867 N SER A 56 -7.008 -4.740 -7.474 1.00 0.00 N ATOM 868 CA SER A 56 -6.914 -6.223 -7.322 1.00 0.00 C ATOM 869 C SER A 56 -5.442 -6.656 -7.274 1.00 0.00 C ATOM 870 O SER A 56 -5.129 -7.761 -6.878 1.00 0.00 O ATOM 871 CB SER A 56 -7.616 -6.902 -8.499 1.00 0.00 C ATOM 872 OG SER A 56 -8.788 -6.169 -8.832 1.00 0.00 O ATOM 0 H SER A 56 -7.085 -4.405 -8.434 1.00 0.00 H new ATOM 0 HA SER A 56 -7.398 -6.519 -6.391 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.947 -6.950 -9.358 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.876 -7.928 -8.240 1.00 0.00 H new ATOM 0 HG SER A 56 -9.240 -6.600 -9.587 1.00 0.00 H new ATOM 878 N SER A 57 -4.533 -5.793 -7.654 1.00 0.00 N ATOM 879 CA SER A 57 -3.084 -6.159 -7.605 1.00 0.00 C ATOM 880 C SER A 57 -2.537 -5.743 -6.250 1.00 0.00 C ATOM 881 O SER A 57 -2.173 -6.569 -5.448 1.00 0.00 O ATOM 882 CB SER A 57 -2.303 -5.426 -8.698 1.00 0.00 C ATOM 883 OG SER A 57 -2.762 -5.854 -9.974 1.00 0.00 O ATOM 0 H SER A 57 -4.731 -4.852 -7.995 1.00 0.00 H new ATOM 0 HA SER A 57 -2.978 -7.233 -7.761 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.435 -4.349 -8.594 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.237 -5.628 -8.596 1.00 0.00 H new ATOM 0 HG SER A 57 -2.264 -5.384 -10.675 1.00 0.00 H new ATOM 889 N ILE A 58 -2.503 -4.456 -5.997 1.00 0.00 N ATOM 890 CA ILE A 58 -2.004 -3.919 -4.687 1.00 0.00 C ATOM 891 C ILE A 58 -2.288 -4.916 -3.568 1.00 0.00 C ATOM 892 O ILE A 58 -1.457 -5.182 -2.723 1.00 0.00 O ATOM 893 CB ILE A 58 -2.737 -2.608 -4.413 1.00 0.00 C ATOM 894 CG1 ILE A 58 -2.225 -1.967 -3.113 1.00 0.00 C ATOM 895 CG2 ILE A 58 -4.245 -2.854 -4.305 1.00 0.00 C ATOM 896 CD1 ILE A 58 -3.141 -0.793 -2.736 1.00 0.00 C ATOM 0 H ILE A 58 -2.806 -3.739 -6.656 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.927 -3.754 -4.731 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.544 -1.929 -5.244 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -2.210 -2.705 -2.311 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.201 -1.618 -3.244 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.754 -1.910 -4.110 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.612 -3.278 -5.240 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.443 -3.549 -3.489 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -2.783 -0.334 -1.814 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -3.133 -0.054 -3.537 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -4.158 -1.157 -2.589 1.00 0.00 H new ATOM 908 N LEU A 59 -3.458 -5.474 -3.567 1.00 0.00 N ATOM 909 CA LEU A 59 -3.796 -6.473 -2.507 1.00 0.00 C ATOM 910 C LEU A 59 -3.236 -7.848 -2.903 1.00 0.00 C ATOM 911 O LEU A 59 -2.699 -8.567 -2.087 1.00 0.00 O ATOM 912 CB LEU A 59 -5.322 -6.614 -2.314 1.00 0.00 C ATOM 913 CG LEU A 59 -6.017 -5.270 -2.477 1.00 0.00 C ATOM 914 CD1 LEU A 59 -7.530 -5.484 -2.528 1.00 0.00 C ATOM 915 CD2 LEU A 59 -5.658 -4.341 -1.311 1.00 0.00 C ATOM 0 H LEU A 59 -4.196 -5.289 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 59 -3.356 -6.121 -1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.720 -7.324 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -5.531 -7.018 -1.324 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.684 -4.806 -3.405 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -8.030 -4.522 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -7.778 -6.127 -3.373 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -7.862 -5.956 -1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.162 -3.383 -1.440 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.977 -4.795 -0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -4.580 -4.184 -1.290 1.00 0.00 H new ATOM 927 N SER A 60 -3.392 -8.229 -4.146 1.00 0.00 N ATOM 928 CA SER A 60 -2.908 -9.573 -4.593 1.00 0.00 C ATOM 929 C SER A 60 -1.402 -9.554 -4.870 1.00 0.00 C ATOM 930 O SER A 60 -0.827 -10.544 -5.276 1.00 0.00 O ATOM 931 CB SER A 60 -3.645 -9.969 -5.874 1.00 0.00 C ATOM 932 OG SER A 60 -5.046 -9.840 -5.667 1.00 0.00 O ATOM 0 H SER A 60 -3.835 -7.667 -4.873 1.00 0.00 H new ATOM 0 HA SER A 60 -3.105 -10.293 -3.798 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.328 -9.334 -6.701 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.399 -10.995 -6.147 1.00 0.00 H new ATOM 0 HG SER A 60 -5.318 -8.914 -5.838 1.00 0.00 H new ATOM 938 N ILE A 61 -0.768 -8.429 -4.688 1.00 0.00 N ATOM 939 CA ILE A 61 0.697 -8.311 -4.972 1.00 0.00 C ATOM 940 C ILE A 61 1.490 -8.334 -3.661 1.00 0.00 C ATOM 941 O ILE A 61 2.368 -9.152 -3.484 1.00 0.00 O ATOM 942 CB ILE A 61 0.889 -6.998 -5.773 1.00 0.00 C ATOM 943 CG1 ILE A 61 2.046 -7.109 -6.774 1.00 0.00 C ATOM 944 CG2 ILE A 61 1.104 -5.783 -4.869 1.00 0.00 C ATOM 945 CD1 ILE A 61 3.397 -7.036 -6.063 1.00 0.00 C ATOM 0 H ILE A 61 -1.206 -7.572 -4.350 1.00 0.00 H new ATOM 0 HA ILE A 61 1.072 -9.149 -5.560 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.041 -6.847 -6.322 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.969 -8.049 -7.320 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.974 -6.307 -7.508 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.233 -4.891 -5.482 1.00 0.00 H new ATOM 0 HG22 ILE A 61 0.238 -5.655 -4.220 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.995 -5.936 -4.260 1.00 0.00 H new ATOM 0 HD11 ILE A 61 4.199 -7.117 -6.797 1.00 0.00 H new ATOM 0 HD12 ILE A 61 3.481 -6.085 -5.538 1.00 0.00 H new ATOM 0 HD13 ILE A 61 3.476 -7.854 -5.347 1.00 0.00 H new ATOM 957 N LEU A 62 1.187 -7.456 -2.749 1.00 0.00 N ATOM 958 CA LEU A 62 1.926 -7.420 -1.444 1.00 0.00 C ATOM 959 C LEU A 62 1.905 -8.796 -0.776 1.00 0.00 C ATOM 960 O LEU A 62 2.399 -8.969 0.320 1.00 0.00 O ATOM 961 CB LEU A 62 1.284 -6.385 -0.522 1.00 0.00 C ATOM 962 CG LEU A 62 1.328 -5.011 -1.202 1.00 0.00 C ATOM 963 CD1 LEU A 62 0.616 -3.981 -0.320 1.00 0.00 C ATOM 964 CD2 LEU A 62 2.783 -4.578 -1.455 1.00 0.00 C ATOM 0 H LEU A 62 0.454 -6.753 -2.846 1.00 0.00 H new ATOM 0 HA LEU A 62 2.963 -7.145 -1.635 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.253 -6.664 -0.304 1.00 0.00 H new ATOM 0 HB3 LEU A 62 1.813 -6.350 0.430 1.00 0.00 H new ATOM 0 HG LEU A 62 0.820 -5.076 -2.164 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.647 -3.004 -0.803 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -0.422 -4.281 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.115 -3.923 0.647 1.00 0.00 H new ATOM 0 HD21 LEU A 62 2.793 -3.601 -1.938 1.00 0.00 H new ATOM 0 HD22 LEU A 62 3.315 -4.519 -0.506 1.00 0.00 H new ATOM 0 HD23 LEU A 62 3.273 -5.307 -2.101 1.00 0.00 H new ATOM 976 N LEU A 63 1.324 -9.772 -1.417 1.00 0.00 N ATOM 977 CA LEU A 63 1.253 -11.128 -0.819 1.00 0.00 C ATOM 978 C LEU A 63 2.456 -11.983 -1.242 1.00 0.00 C ATOM 979 O LEU A 63 3.142 -12.549 -0.414 1.00 0.00 O ATOM 980 CB LEU A 63 -0.023 -11.817 -1.312 1.00 0.00 C ATOM 981 CG LEU A 63 -1.177 -10.810 -1.428 1.00 0.00 C ATOM 982 CD1 LEU A 63 -2.486 -11.581 -1.616 1.00 0.00 C ATOM 983 CD2 LEU A 63 -1.273 -9.932 -0.165 1.00 0.00 C ATOM 0 H LEU A 63 0.893 -9.684 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 63 1.255 -11.027 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.160 -12.280 -2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.299 -12.616 -0.624 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.993 -10.158 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.314 -10.877 -1.700 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.427 -12.182 -2.524 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.650 -12.234 -0.759 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.098 -9.228 -0.273 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -1.448 -10.564 0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -0.341 -9.382 -0.033 1.00 0.00 H new ATOM 995 N GLU A 64 2.676 -12.131 -2.530 1.00 0.00 N ATOM 996 CA GLU A 64 3.793 -13.012 -3.013 1.00 0.00 C ATOM 997 C GLU A 64 4.655 -12.320 -4.069 1.00 0.00 C ATOM 998 O GLU A 64 5.858 -12.230 -3.932 1.00 0.00 O ATOM 999 CB GLU A 64 3.172 -14.245 -3.656 1.00 0.00 C ATOM 1000 CG GLU A 64 2.391 -15.035 -2.603 1.00 0.00 C ATOM 1001 CD GLU A 64 1.664 -16.201 -3.276 1.00 0.00 C ATOM 1002 OE1 GLU A 64 0.672 -15.951 -3.940 1.00 0.00 O ATOM 1003 OE2 GLU A 64 2.112 -17.324 -3.116 1.00 0.00 O ATOM 0 H GLU A 64 2.132 -11.681 -3.266 1.00 0.00 H new ATOM 0 HA GLU A 64 4.426 -13.259 -2.161 1.00 0.00 H new ATOM 0 HB2 GLU A 64 2.509 -13.949 -4.469 1.00 0.00 H new ATOM 0 HB3 GLU A 64 3.950 -14.871 -4.092 1.00 0.00 H new ATOM 0 HG2 GLU A 64 3.070 -15.409 -1.836 1.00 0.00 H new ATOM 0 HG3 GLU A 64 1.673 -14.385 -2.103 1.00 0.00 H new ATOM 1010 N GLU A 65 4.055 -11.878 -5.142 1.00 0.00 N ATOM 1011 CA GLU A 65 4.845 -11.236 -6.236 1.00 0.00 C ATOM 1012 C GLU A 65 5.876 -10.276 -5.661 1.00 0.00 C ATOM 1013 O GLU A 65 6.816 -9.882 -6.322 1.00 0.00 O ATOM 1014 CB GLU A 65 3.904 -10.478 -7.170 1.00 0.00 C ATOM 1015 CG GLU A 65 2.698 -11.357 -7.508 1.00 0.00 C ATOM 1016 CD GLU A 65 1.921 -10.732 -8.668 1.00 0.00 C ATOM 1017 OE1 GLU A 65 2.393 -9.746 -9.209 1.00 0.00 O ATOM 1018 OE2 GLU A 65 0.866 -11.251 -8.996 1.00 0.00 O ATOM 0 H GLU A 65 3.050 -11.933 -5.309 1.00 0.00 H new ATOM 0 HA GLU A 65 5.367 -12.015 -6.792 1.00 0.00 H new ATOM 0 HB2 GLU A 65 3.572 -9.554 -6.697 1.00 0.00 H new ATOM 0 HB3 GLU A 65 4.430 -10.197 -8.083 1.00 0.00 H new ATOM 0 HG2 GLU A 65 3.029 -12.360 -7.777 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.052 -11.458 -6.636 1.00 0.00 H new ATOM 1025 N VAL A 66 5.702 -9.898 -4.438 1.00 0.00 N ATOM 1026 CA VAL A 66 6.662 -8.957 -3.799 1.00 0.00 C ATOM 1027 C VAL A 66 6.734 -9.233 -2.290 1.00 0.00 C ATOM 1028 O VAL A 66 5.735 -9.218 -1.599 1.00 0.00 O ATOM 1029 CB VAL A 66 6.164 -7.533 -4.064 1.00 0.00 C ATOM 1030 CG1 VAL A 66 4.974 -7.221 -3.158 1.00 0.00 C ATOM 1031 CG2 VAL A 66 7.293 -6.519 -3.821 1.00 0.00 C ATOM 0 H VAL A 66 4.931 -10.199 -3.842 1.00 0.00 H new ATOM 0 HA VAL A 66 7.663 -9.085 -4.211 1.00 0.00 H new ATOM 0 HB VAL A 66 5.848 -7.459 -5.104 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.625 -6.207 -3.352 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.168 -7.927 -3.360 1.00 0.00 H new ATOM 0 HG13 VAL A 66 5.279 -7.307 -2.115 1.00 0.00 H new ATOM 0 HG21 VAL A 66 6.925 -5.511 -4.013 1.00 0.00 H new ATOM 0 HG22 VAL A 66 7.630 -6.591 -2.787 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.126 -6.735 -4.490 1.00 0.00 H new ATOM 1041 N SER A 67 7.907 -9.477 -1.772 1.00 0.00 N ATOM 1042 CA SER A 67 8.028 -9.741 -0.311 1.00 0.00 C ATOM 1043 C SER A 67 7.841 -8.411 0.441 1.00 0.00 C ATOM 1044 O SER A 67 8.167 -7.373 -0.096 1.00 0.00 O ATOM 1045 CB SER A 67 9.420 -10.309 -0.019 1.00 0.00 C ATOM 1046 OG SER A 67 9.441 -11.692 -0.346 1.00 0.00 O ATOM 0 H SER A 67 8.782 -9.505 -2.295 1.00 0.00 H new ATOM 0 HA SER A 67 7.273 -10.458 0.012 1.00 0.00 H new ATOM 0 HB2 SER A 67 10.172 -9.775 -0.599 1.00 0.00 H new ATOM 0 HB3 SER A 67 9.670 -10.168 1.033 1.00 0.00 H new ATOM 0 HG SER A 67 10.331 -12.058 -0.162 1.00 0.00 H new ATOM 1052 N PRO A 68 7.330 -8.452 1.657 1.00 0.00 N ATOM 1053 CA PRO A 68 7.119 -7.219 2.436 1.00 0.00 C ATOM 1054 C PRO A 68 8.431 -6.429 2.544 1.00 0.00 C ATOM 1055 O PRO A 68 8.428 -5.243 2.802 1.00 0.00 O ATOM 1056 CB PRO A 68 6.619 -7.706 3.816 1.00 0.00 C ATOM 1057 CG PRO A 68 6.634 -9.260 3.799 1.00 0.00 C ATOM 1058 CD PRO A 68 6.934 -9.697 2.354 1.00 0.00 C ATOM 0 HA PRO A 68 6.401 -6.541 1.974 1.00 0.00 H new ATOM 0 HB2 PRO A 68 7.260 -7.325 4.612 1.00 0.00 H new ATOM 0 HB3 PRO A 68 5.613 -7.335 4.012 1.00 0.00 H new ATOM 0 HG2 PRO A 68 7.391 -9.645 4.482 1.00 0.00 H new ATOM 0 HG3 PRO A 68 5.674 -9.658 4.130 1.00 0.00 H new ATOM 0 HD2 PRO A 68 7.732 -10.439 2.323 1.00 0.00 H new ATOM 0 HD3 PRO A 68 6.059 -10.150 1.888 1.00 0.00 H new ATOM 1066 N GLU A 69 9.552 -7.064 2.344 1.00 0.00 N ATOM 1067 CA GLU A 69 10.839 -6.317 2.436 1.00 0.00 C ATOM 1068 C GLU A 69 11.093 -5.576 1.123 1.00 0.00 C ATOM 1069 O GLU A 69 11.395 -4.399 1.119 1.00 0.00 O ATOM 1070 CB GLU A 69 11.989 -7.291 2.727 1.00 0.00 C ATOM 1071 CG GLU A 69 13.299 -6.511 2.912 1.00 0.00 C ATOM 1072 CD GLU A 69 13.873 -6.127 1.547 1.00 0.00 C ATOM 1073 OE1 GLU A 69 14.195 -7.026 0.786 1.00 0.00 O ATOM 1074 OE2 GLU A 69 13.982 -4.940 1.285 1.00 0.00 O ATOM 0 H GLU A 69 9.634 -8.056 2.123 1.00 0.00 H new ATOM 0 HA GLU A 69 10.781 -5.593 3.249 1.00 0.00 H new ATOM 0 HB2 GLU A 69 11.770 -7.869 3.625 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.091 -8.002 1.907 1.00 0.00 H new ATOM 0 HG2 GLU A 69 13.118 -5.615 3.505 1.00 0.00 H new ATOM 0 HG3 GLU A 69 14.019 -7.117 3.462 1.00 0.00 H new ATOM 1081 N LEU A 70 10.957 -6.238 0.008 1.00 0.00 N ATOM 1082 CA LEU A 70 11.174 -5.540 -1.287 1.00 0.00 C ATOM 1083 C LEU A 70 10.162 -4.399 -1.375 1.00 0.00 C ATOM 1084 O LEU A 70 10.315 -3.467 -2.133 1.00 0.00 O ATOM 1085 CB LEU A 70 10.964 -6.541 -2.439 1.00 0.00 C ATOM 1086 CG LEU A 70 10.744 -5.816 -3.781 1.00 0.00 C ATOM 1087 CD1 LEU A 70 11.983 -4.983 -4.134 1.00 0.00 C ATOM 1088 CD2 LEU A 70 10.508 -6.857 -4.885 1.00 0.00 C ATOM 0 H LEU A 70 10.707 -7.224 -0.062 1.00 0.00 H new ATOM 0 HA LEU A 70 12.186 -5.141 -1.357 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.831 -7.197 -2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.104 -7.174 -2.221 1.00 0.00 H new ATOM 0 HG LEU A 70 9.879 -5.159 -3.696 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.820 -4.473 -5.084 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.160 -4.245 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.850 -5.638 -4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 70 10.352 -6.349 -5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.377 -7.510 -4.961 1.00 0.00 H new ATOM 0 HD23 LEU A 70 9.627 -7.452 -4.642 1.00 0.00 H new ATOM 1100 N VAL A 71 9.117 -4.480 -0.613 1.00 0.00 N ATOM 1101 CA VAL A 71 8.086 -3.417 -0.657 1.00 0.00 C ATOM 1102 C VAL A 71 8.649 -2.135 -0.053 1.00 0.00 C ATOM 1103 O VAL A 71 8.774 -1.134 -0.726 1.00 0.00 O ATOM 1104 CB VAL A 71 6.866 -3.900 0.121 1.00 0.00 C ATOM 1105 CG1 VAL A 71 5.879 -2.748 0.318 1.00 0.00 C ATOM 1106 CG2 VAL A 71 6.201 -5.033 -0.669 1.00 0.00 C ATOM 0 H VAL A 71 8.931 -5.240 0.042 1.00 0.00 H new ATOM 0 HA VAL A 71 7.794 -3.204 -1.686 1.00 0.00 H new ATOM 0 HB VAL A 71 7.172 -4.262 1.103 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.012 -3.103 0.874 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.363 -1.945 0.874 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.558 -2.374 -0.654 1.00 0.00 H new ATOM 0 HG21 VAL A 71 5.326 -5.390 -0.126 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.895 -4.663 -1.648 1.00 0.00 H new ATOM 0 HG23 VAL A 71 6.909 -5.852 -0.796 1.00 0.00 H new ATOM 1116 N CYS A 72 9.005 -2.153 1.204 1.00 0.00 N ATOM 1117 CA CYS A 72 9.577 -0.912 1.822 1.00 0.00 C ATOM 1118 C CYS A 72 10.650 -0.353 0.888 1.00 0.00 C ATOM 1119 O CYS A 72 10.950 0.824 0.895 1.00 0.00 O ATOM 1120 CB CYS A 72 10.187 -1.218 3.192 1.00 0.00 C ATOM 1121 SG CYS A 72 10.879 0.303 3.886 1.00 0.00 S ATOM 0 H CYS A 72 8.928 -2.958 1.825 1.00 0.00 H new ATOM 0 HA CYS A 72 8.782 -0.180 1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 72 9.427 -1.624 3.860 1.00 0.00 H new ATOM 0 HB3 CYS A 72 10.965 -1.975 3.096 1.00 0.00 H new ATOM 1126 N SER A 73 11.202 -1.195 0.054 1.00 0.00 N ATOM 1127 CA SER A 73 12.224 -0.726 -0.919 1.00 0.00 C ATOM 1128 C SER A 73 11.486 -0.150 -2.126 1.00 0.00 C ATOM 1129 O SER A 73 11.681 0.989 -2.502 1.00 0.00 O ATOM 1130 CB SER A 73 13.094 -1.902 -1.363 1.00 0.00 C ATOM 1131 OG SER A 73 14.007 -2.230 -0.323 1.00 0.00 O ATOM 0 H SER A 73 10.986 -2.191 0.007 1.00 0.00 H new ATOM 0 HA SER A 73 12.865 0.029 -0.464 1.00 0.00 H new ATOM 0 HB2 SER A 73 12.469 -2.763 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 73 13.638 -1.644 -2.272 1.00 0.00 H new ATOM 0 HG SER A 73 13.799 -3.122 0.025 1.00 0.00 H new ATOM 1137 N MET A 74 10.615 -0.925 -2.720 1.00 0.00 N ATOM 1138 CA MET A 74 9.838 -0.412 -3.888 1.00 0.00 C ATOM 1139 C MET A 74 9.196 0.919 -3.492 1.00 0.00 C ATOM 1140 O MET A 74 9.248 1.893 -4.217 1.00 0.00 O ATOM 1141 CB MET A 74 8.729 -1.413 -4.263 1.00 0.00 C ATOM 1142 CG MET A 74 8.287 -1.201 -5.717 1.00 0.00 C ATOM 1143 SD MET A 74 6.602 -1.833 -5.938 1.00 0.00 S ATOM 1144 CE MET A 74 6.816 -3.421 -5.093 1.00 0.00 C ATOM 0 H MET A 74 10.409 -1.886 -2.448 1.00 0.00 H new ATOM 0 HA MET A 74 10.502 -0.280 -4.742 1.00 0.00 H new ATOM 0 HB2 MET A 74 9.091 -2.433 -4.131 1.00 0.00 H new ATOM 0 HB3 MET A 74 7.877 -1.288 -3.595 1.00 0.00 H new ATOM 0 HG2 MET A 74 8.325 -0.141 -5.968 1.00 0.00 H new ATOM 0 HG3 MET A 74 8.970 -1.714 -6.394 1.00 0.00 H new ATOM 0 HE1 MET A 74 6.043 -4.115 -5.422 1.00 0.00 H new ATOM 0 HE2 MET A 74 7.798 -3.831 -5.331 1.00 0.00 H new ATOM 0 HE3 MET A 74 6.736 -3.274 -4.016 1.00 0.00 H new ATOM 1154 N LEU A 75 8.592 0.959 -2.332 1.00 0.00 N ATOM 1155 CA LEU A 75 7.944 2.218 -1.872 1.00 0.00 C ATOM 1156 C LEU A 75 9.013 3.305 -1.760 1.00 0.00 C ATOM 1157 O LEU A 75 8.740 4.477 -1.931 1.00 0.00 O ATOM 1158 CB LEU A 75 7.300 2.000 -0.495 1.00 0.00 C ATOM 1159 CG LEU A 75 6.267 0.864 -0.555 1.00 0.00 C ATOM 1160 CD1 LEU A 75 5.752 0.575 0.860 1.00 0.00 C ATOM 1161 CD2 LEU A 75 5.092 1.267 -1.461 1.00 0.00 C ATOM 0 H LEU A 75 8.521 0.173 -1.686 1.00 0.00 H new ATOM 0 HA LEU A 75 7.174 2.516 -2.584 1.00 0.00 H new ATOM 0 HB2 LEU A 75 8.070 1.761 0.239 1.00 0.00 H new ATOM 0 HB3 LEU A 75 6.818 2.920 -0.163 1.00 0.00 H new ATOM 0 HG LEU A 75 6.737 -0.030 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU A 75 5.019 -0.230 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.585 0.278 1.497 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.286 1.472 1.268 1.00 0.00 H new ATOM 0 HD21 LEU A 75 4.365 0.455 -1.497 1.00 0.00 H new ATOM 0 HD22 LEU A 75 4.616 2.163 -1.062 1.00 0.00 H new ATOM 0 HD23 LEU A 75 5.461 1.469 -2.467 1.00 0.00 H new ATOM 1173 N HIS A 76 10.236 2.921 -1.497 1.00 0.00 N ATOM 1174 CA HIS A 76 11.338 3.919 -1.397 1.00 0.00 C ATOM 1175 C HIS A 76 10.869 5.137 -0.584 1.00 0.00 C ATOM 1176 O HIS A 76 11.161 6.269 -0.918 1.00 0.00 O ATOM 1177 CB HIS A 76 11.739 4.338 -2.824 1.00 0.00 C ATOM 1178 CG HIS A 76 12.785 3.396 -3.366 1.00 0.00 C ATOM 1179 ND1 HIS A 76 12.784 2.543 -4.442 1.00 0.00 N flip ATOM 1180 CD2 HIS A 76 14.031 3.258 -2.774 1.00 0.00 C flip ATOM 1181 CE1 HIS A 76 14.007 1.884 -4.519 1.00 0.00 C flip ATOM 1182 NE2 HIS A 76 14.721 2.352 -3.491 1.00 0.00 N flip ATOM 0 H HIS A 76 10.518 1.952 -1.347 1.00 0.00 H new ATOM 0 HA HIS A 76 12.199 3.486 -0.887 1.00 0.00 H new ATOM 0 HB2 HIS A 76 10.863 4.333 -3.473 1.00 0.00 H new ATOM 0 HB3 HIS A 76 12.125 5.357 -2.817 1.00 0.00 H new ATOM 0 HD2 HIS A 76 14.383 3.782 -1.898 1.00 0.00 H new ATOM 0 HE1 HIS A 76 14.313 1.152 -5.252 1.00 0.00 H new ATOM 0 HE2 HIS A 76 15.674 2.058 -3.276 1.00 0.00 H new ATOM 1190 N LEU A 77 10.150 4.916 0.484 1.00 0.00 N ATOM 1191 CA LEU A 77 9.680 6.067 1.306 1.00 0.00 C ATOM 1192 C LEU A 77 10.855 6.631 2.111 1.00 0.00 C ATOM 1193 O LEU A 77 10.869 7.789 2.477 1.00 0.00 O ATOM 1194 CB LEU A 77 8.539 5.624 2.245 1.00 0.00 C ATOM 1195 CG LEU A 77 9.052 4.731 3.390 1.00 0.00 C ATOM 1196 CD1 LEU A 77 7.885 4.405 4.328 1.00 0.00 C ATOM 1197 CD2 LEU A 77 9.625 3.425 2.822 1.00 0.00 C ATOM 0 H LEU A 77 9.870 3.995 0.821 1.00 0.00 H new ATOM 0 HA LEU A 77 9.294 6.846 0.649 1.00 0.00 H new ATOM 0 HB2 LEU A 77 8.050 6.504 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 77 7.786 5.083 1.672 1.00 0.00 H new ATOM 0 HG LEU A 77 9.836 5.257 3.935 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.239 3.773 5.142 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.478 5.330 4.737 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.107 3.880 3.773 1.00 0.00 H new ATOM 0 HD21 LEU A 77 9.985 2.800 3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 77 8.846 2.894 2.275 1.00 0.00 H new ATOM 0 HD23 LEU A 77 10.451 3.653 2.148 1.00 0.00 H new ATOM 1209 N CYS A 78 11.843 5.821 2.383 1.00 0.00 N ATOM 1210 CA CYS A 78 13.017 6.315 3.162 1.00 0.00 C ATOM 1211 C CYS A 78 13.570 7.575 2.496 1.00 0.00 C ATOM 1212 O CYS A 78 13.608 8.636 3.086 1.00 0.00 O ATOM 1213 CB CYS A 78 14.112 5.244 3.191 1.00 0.00 C ATOM 1214 SG CYS A 78 13.590 3.870 4.249 1.00 0.00 S ATOM 0 H CYS A 78 11.889 4.842 2.101 1.00 0.00 H new ATOM 0 HA CYS A 78 12.702 6.538 4.181 1.00 0.00 H new ATOM 0 HB2 CYS A 78 14.309 4.884 2.181 1.00 0.00 H new ATOM 0 HB3 CYS A 78 15.043 5.671 3.565 1.00 0.00 H new ATOM 1219 N SER A 79 14.002 7.465 1.270 1.00 0.00 N ATOM 1220 CA SER A 79 14.555 8.654 0.564 1.00 0.00 C ATOM 1221 C SER A 79 13.413 9.592 0.166 1.00 0.00 C ATOM 1222 O SER A 79 12.777 9.415 -0.854 1.00 0.00 O ATOM 1223 CB SER A 79 15.303 8.202 -0.689 1.00 0.00 C ATOM 1224 OG SER A 79 16.380 7.354 -0.312 1.00 0.00 O ATOM 0 H SER A 79 13.996 6.602 0.726 1.00 0.00 H new ATOM 0 HA SER A 79 15.242 9.180 1.227 1.00 0.00 H new ATOM 0 HB2 SER A 79 14.626 7.673 -1.360 1.00 0.00 H new ATOM 0 HB3 SER A 79 15.680 9.068 -1.234 1.00 0.00 H new ATOM 0 HG SER A 79 16.861 7.061 -1.114 1.00 0.00 H new ATOM 1230 N GLY A 80 13.158 10.594 0.960 1.00 0.00 N ATOM 1231 CA GLY A 80 12.065 11.555 0.627 1.00 0.00 C ATOM 1232 C GLY A 80 12.610 12.594 -0.345 1.00 0.00 C ATOM 1233 O GLY A 80 11.879 13.250 -1.058 1.00 0.00 O ATOM 0 H GLY A 80 13.659 10.791 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 80 11.220 11.028 0.183 1.00 0.00 H new ATOM 0 HA3 GLY A 80 11.698 12.039 1.532 1.00 0.00 H new ATOM 1237 N LEU A 81 13.905 12.727 -0.372 1.00 0.00 N ATOM 1238 CA LEU A 81 14.573 13.693 -1.282 1.00 0.00 C ATOM 1239 C LEU A 81 15.606 12.937 -2.088 1.00 0.00 C ATOM 1240 O LEU A 81 15.731 11.734 -1.978 1.00 0.00 O ATOM 1241 CB LEU A 81 15.268 14.801 -0.464 1.00 0.00 C ATOM 1242 CG LEU A 81 15.930 14.237 0.819 1.00 0.00 C ATOM 1243 CD1 LEU A 81 14.863 13.798 1.853 1.00 0.00 C ATOM 1244 CD2 LEU A 81 16.855 13.050 0.474 1.00 0.00 C ATOM 0 H LEU A 81 14.544 12.191 0.215 1.00 0.00 H new ATOM 0 HA LEU A 81 13.837 14.158 -1.938 1.00 0.00 H new ATOM 0 HB2 LEU A 81 16.024 15.288 -1.080 1.00 0.00 H new ATOM 0 HB3 LEU A 81 14.539 15.564 -0.192 1.00 0.00 H new ATOM 0 HG LEU A 81 16.528 15.033 1.263 1.00 0.00 H new ATOM 0 HD11 LEU A 81 15.357 13.407 2.742 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.248 14.655 2.127 1.00 0.00 H new ATOM 0 HD13 LEU A 81 14.232 13.023 1.418 1.00 0.00 H new ATOM 0 HD21 LEU A 81 17.311 12.667 1.387 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.272 12.260 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 81 17.636 13.384 -0.209 1.00 0.00 H new ATOM 1256 N VAL A 82 16.385 13.620 -2.868 1.00 0.00 N ATOM 1257 CA VAL A 82 17.439 12.902 -3.627 1.00 0.00 C ATOM 1258 C VAL A 82 18.627 12.682 -2.670 1.00 0.00 C ATOM 1259 O VAL A 82 19.047 13.619 -2.020 1.00 0.00 O ATOM 1260 CB VAL A 82 17.892 13.727 -4.836 1.00 0.00 C ATOM 1261 CG1 VAL A 82 16.915 13.521 -5.996 1.00 0.00 C ATOM 1262 CG2 VAL A 82 17.934 15.209 -4.457 1.00 0.00 C ATOM 0 H VAL A 82 16.341 14.629 -3.013 1.00 0.00 H new ATOM 0 HA VAL A 82 17.054 11.952 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 82 18.887 13.403 -5.142 1.00 0.00 H new ATOM 0 HG11 VAL A 82 17.240 14.109 -6.854 1.00 0.00 H new ATOM 0 HG12 VAL A 82 16.890 12.466 -6.268 1.00 0.00 H new ATOM 0 HG13 VAL A 82 15.918 13.841 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 82 18.256 15.796 -5.317 1.00 0.00 H new ATOM 0 HG22 VAL A 82 16.940 15.534 -4.148 1.00 0.00 H new ATOM 0 HG23 VAL A 82 18.635 15.355 -3.635 1.00 0.00 H new ATOM 1272 N PRO A 83 19.139 11.470 -2.576 1.00 0.00 N ATOM 1273 CA PRO A 83 20.250 11.190 -1.656 1.00 0.00 C ATOM 1274 C PRO A 83 21.324 12.282 -1.753 1.00 0.00 C ATOM 1275 O PRO A 83 21.867 12.540 -2.809 1.00 0.00 O ATOM 1276 CB PRO A 83 20.785 9.819 -2.095 1.00 0.00 C ATOM 1277 CG PRO A 83 19.685 9.181 -2.978 1.00 0.00 C ATOM 1278 CD PRO A 83 18.697 10.302 -3.362 1.00 0.00 C ATOM 0 HA PRO A 83 19.937 11.180 -0.612 1.00 0.00 H new ATOM 0 HB2 PRO A 83 21.716 9.926 -2.652 1.00 0.00 H new ATOM 0 HB3 PRO A 83 21.001 9.192 -1.230 1.00 0.00 H new ATOM 0 HG2 PRO A 83 20.121 8.731 -3.870 1.00 0.00 H new ATOM 0 HG3 PRO A 83 19.172 8.385 -2.438 1.00 0.00 H new ATOM 0 HD2 PRO A 83 18.728 10.509 -4.432 1.00 0.00 H new ATOM 0 HD3 PRO A 83 17.671 10.026 -3.120 1.00 0.00 H new ATOM 1286 N ARG A 84 21.633 12.922 -0.658 1.00 0.00 N ATOM 1287 CA ARG A 84 22.670 13.991 -0.691 1.00 0.00 C ATOM 1288 C ARG A 84 24.059 13.354 -0.742 1.00 0.00 C ATOM 1289 O ARG A 84 24.725 13.511 -1.752 1.00 0.00 O ATOM 1290 CB ARG A 84 22.550 14.855 0.567 1.00 0.00 C ATOM 1291 CG ARG A 84 21.119 15.392 0.687 1.00 0.00 C ATOM 1292 CD ARG A 84 20.815 16.353 -0.470 1.00 0.00 C ATOM 1293 NE ARG A 84 19.702 17.262 -0.076 1.00 0.00 N ATOM 1294 CZ ARG A 84 19.464 18.342 -0.770 1.00 0.00 C ATOM 1295 NH1 ARG A 84 20.197 18.621 -1.813 1.00 0.00 N ATOM 1296 NH2 ARG A 84 18.492 19.140 -0.423 1.00 0.00 N ATOM 1297 OXT ARG A 84 24.434 12.719 0.231 1.00 0.00 O ATOM 0 H ARG A 84 21.213 12.751 0.256 1.00 0.00 H new ATOM 0 HA ARG A 84 22.524 14.612 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 84 22.804 14.268 1.449 1.00 0.00 H new ATOM 0 HB3 ARG A 84 23.257 15.683 0.521 1.00 0.00 H new ATOM 0 HG2 ARG A 84 20.410 14.564 0.678 1.00 0.00 H new ATOM 0 HG3 ARG A 84 20.995 15.907 1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 84 21.703 16.934 -0.719 1.00 0.00 H new ATOM 0 HD3 ARG A 84 20.542 15.791 -1.363 1.00 0.00 H new ATOM 0 HE ARG A 84 19.126 17.040 0.736 1.00 0.00 H new ATOM 0 HH11 ARG A 84 20.955 17.996 -2.086 1.00 0.00 H new ATOM 0 HH12 ARG A 84 20.012 19.465 -2.356 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.918 18.920 0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.306 19.984 -0.965 1.00 0.00 H new TER 1311 ARG A 84