USER MOD reduce.3.24.130724 H: found=0, std=0, add=439, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 429 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 47 SER OG : rot 155:sc= 1.3 USER MOD Set 1.2: A 51 HIS : no HD1:sc= 0.995 K(o=2.3,f=-3.5!) USER MOD Set 2.1: A 20 LYS NZ :NH3+ 175:sc= 2.03 (180deg=0.634) USER MOD Set 2.2: A 33 HIS : no HD1:sc= 1.02 K(o=3.1,f=-10!) USER MOD Set 3.1: A 12 CYS SG : rot 180:sc= -0.449 USER MOD Set 3.2: A 15 CYS SG : rot 84:sc= 1.24 USER MOD Set 3.3: A 61 TYR OH : rot -27:sc= -0.18 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc=-0.00676 X(o=-0.0068,f=0) USER MOD Single : A 10 MET CE :methyl 179:sc= -1.5 (180deg=-1.52) USER MOD Single : A 11 THR OG1 : rot 59:sc= 0.428 USER MOD Single : A 14 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -96:sc=-0.00701 USER MOD Single : A 38 SER OG : rot 180:sc= -0.0885 USER MOD Single : A 40 THR OG1 : rot 59:sc= 0.897 USER MOD Single : A 57 THR OG1 : rot 71:sc= 0.106 USER MOD Single : A 62 THR OG1 : rot 77:sc= 0.874 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 9.231 -12.765 -2.099 1.00 0.00 N ATOM 2 CA ALA A 1 9.172 -11.916 -3.282 1.00 0.00 C ATOM 3 C ALA A 1 7.730 -11.580 -3.645 1.00 0.00 C ATOM 4 O ALA A 1 7.101 -12.277 -4.441 1.00 0.00 O ATOM 5 CB ALA A 1 9.869 -12.594 -4.452 1.00 0.00 C ATOM 0 H1 ALA A 1 10.224 -12.978 -1.874 1.00 0.00 H new ATOM 0 H2 ALA A 1 8.792 -12.272 -1.295 1.00 0.00 H new ATOM 0 H3 ALA A 1 8.719 -13.652 -2.282 1.00 0.00 H new ATOM 0 HA ALA A 1 9.689 -10.983 -3.056 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.818 -11.949 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 1 10.913 -12.777 -4.197 1.00 0.00 H new ATOM 0 HB3 ALA A 1 9.377 -13.542 -4.669 1.00 0.00 H new ATOM 11 N GLY A 2 7.211 -10.507 -3.056 1.00 0.00 N ATOM 12 CA GLY A 2 5.850 -10.092 -3.339 1.00 0.00 C ATOM 13 C GLY A 2 4.947 -10.195 -2.126 1.00 0.00 C ATOM 14 O GLY A 2 4.823 -11.263 -1.524 1.00 0.00 O ATOM 0 H GLY A 2 7.709 -9.918 -2.388 1.00 0.00 H new ATOM 0 HA2 GLY A 2 5.855 -9.063 -3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 2 5.446 -10.708 -4.142 1.00 0.00 H new ATOM 18 N LEU A 3 4.317 -9.084 -1.760 1.00 0.00 N ATOM 19 CA LEU A 3 3.444 -9.047 -0.593 1.00 0.00 C ATOM 20 C LEU A 3 2.050 -8.555 -0.973 1.00 0.00 C ATOM 21 O LEU A 3 1.892 -7.764 -1.902 1.00 0.00 O ATOM 22 CB LEU A 3 4.049 -8.154 0.497 1.00 0.00 C ATOM 23 CG LEU A 3 5.432 -8.585 1.000 1.00 0.00 C ATOM 24 CD1 LEU A 3 6.000 -7.529 1.940 1.00 0.00 C ATOM 25 CD2 LEU A 3 5.321 -9.929 1.704 1.00 0.00 C ATOM 0 H LEU A 3 4.395 -8.196 -2.256 1.00 0.00 H new ATOM 0 HA LEU A 3 3.352 -10.061 -0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.121 -7.137 0.113 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.364 -8.127 1.344 1.00 0.00 H new ATOM 0 HG LEU A 3 6.110 -8.687 0.153 1.00 0.00 H new ATOM 0 HD11 LEU A 3 6.982 -7.845 2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.092 -6.581 1.409 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.333 -7.404 2.793 1.00 0.00 H new ATOM 0 HD21 LEU A 3 6.304 -10.235 2.061 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.639 -9.842 2.550 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.940 -10.675 1.006 1.00 0.00 H new ATOM 37 N SER A 4 1.044 -9.027 -0.245 1.00 0.00 N ATOM 38 CA SER A 4 -0.327 -8.577 -0.452 1.00 0.00 C ATOM 39 C SER A 4 -0.938 -8.078 0.854 1.00 0.00 C ATOM 40 O SER A 4 -0.785 -8.703 1.903 1.00 0.00 O ATOM 41 CB SER A 4 -1.165 -9.698 -1.035 1.00 0.00 C ATOM 42 OG SER A 4 -2.508 -9.327 -1.188 1.00 0.00 O ATOM 0 H SER A 4 1.153 -9.722 0.494 1.00 0.00 H new ATOM 0 HA SER A 4 -0.312 -7.747 -1.158 1.00 0.00 H new ATOM 0 HB2 SER A 4 -0.757 -9.989 -2.003 1.00 0.00 H new ATOM 0 HB3 SER A 4 -1.102 -10.572 -0.387 1.00 0.00 H new ATOM 0 HG SER A 4 -3.013 -10.076 -1.568 1.00 0.00 H new ATOM 48 N PHE A 5 -1.630 -6.945 0.782 1.00 0.00 N ATOM 49 CA PHE A 5 -2.227 -6.337 1.965 1.00 0.00 C ATOM 50 C PHE A 5 -3.696 -6.004 1.723 1.00 0.00 C ATOM 51 O PHE A 5 -4.081 -5.603 0.623 1.00 0.00 O ATOM 52 CB PHE A 5 -1.458 -5.076 2.366 1.00 0.00 C ATOM 53 CG PHE A 5 -0.005 -5.321 2.661 1.00 0.00 C ATOM 54 CD1 PHE A 5 0.941 -5.268 1.648 1.00 0.00 C ATOM 55 CD2 PHE A 5 0.417 -5.606 3.950 1.00 0.00 C ATOM 56 CE1 PHE A 5 2.278 -5.493 1.918 1.00 0.00 C ATOM 57 CE2 PHE A 5 1.753 -5.830 4.223 1.00 0.00 C ATOM 58 CZ PHE A 5 2.684 -5.773 3.205 1.00 0.00 C ATOM 0 H PHE A 5 -1.791 -6.430 -0.083 1.00 0.00 H new ATOM 0 HA PHE A 5 -2.168 -7.057 2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -1.538 -4.342 1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -1.929 -4.639 3.246 1.00 0.00 H new ATOM 0 HD1 PHE A 5 0.630 -5.049 0.637 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.307 -5.654 4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.005 -5.449 1.120 1.00 0.00 H new ATOM 0 HE2 PHE A 5 2.069 -6.050 5.232 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.729 -5.948 3.417 1.00 0.00 H new ATOM 68 N HIS A 6 -4.513 -6.170 2.758 1.00 0.00 N ATOM 69 CA HIS A 6 -5.897 -5.710 2.722 1.00 0.00 C ATOM 70 C HIS A 6 -6.094 -4.504 3.635 1.00 0.00 C ATOM 71 O HIS A 6 -5.870 -4.584 4.843 1.00 0.00 O ATOM 72 CB HIS A 6 -6.855 -6.836 3.124 1.00 0.00 C ATOM 73 CG HIS A 6 -8.297 -6.436 3.102 1.00 0.00 C ATOM 74 ND1 HIS A 6 -9.012 -6.295 1.931 1.00 0.00 N ATOM 75 CD2 HIS A 6 -9.158 -6.145 4.106 1.00 0.00 C ATOM 76 CE1 HIS A 6 -10.252 -5.936 2.217 1.00 0.00 C ATOM 77 NE2 HIS A 6 -10.365 -5.838 3.529 1.00 0.00 N ATOM 0 H HIS A 6 -4.241 -6.620 3.632 1.00 0.00 H new ATOM 0 HA HIS A 6 -6.121 -5.410 1.698 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -6.711 -7.681 2.451 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -6.598 -7.180 4.126 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -8.936 -6.153 5.163 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.039 -5.754 1.500 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.213 -5.576 4.032 1.00 0.00 H new ATOM 84 N VAL A 7 -6.513 -3.385 3.049 1.00 0.00 N ATOM 85 CA VAL A 7 -6.613 -2.131 3.784 1.00 0.00 C ATOM 86 C VAL A 7 -8.062 -1.814 4.135 1.00 0.00 C ATOM 87 O VAL A 7 -8.928 -1.777 3.262 1.00 0.00 O ATOM 88 CB VAL A 7 -6.021 -0.956 2.980 1.00 0.00 C ATOM 89 CG1 VAL A 7 -6.144 0.341 3.765 1.00 0.00 C ATOM 90 CG2 VAL A 7 -4.566 -1.231 2.631 1.00 0.00 C ATOM 0 H VAL A 7 -6.788 -3.323 2.069 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.039 -2.257 4.702 1.00 0.00 H new ATOM 0 HB VAL A 7 -6.585 -0.853 2.053 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -5.721 1.160 3.183 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -7.195 0.545 3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -5.604 0.249 4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.163 -0.392 2.064 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.990 -1.359 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.501 -2.139 2.032 1.00 0.00 H new ATOM 100 N GLU A 8 -8.317 -1.585 5.419 1.00 0.00 N ATOM 101 CA GLU A 8 -9.681 -1.422 5.909 1.00 0.00 C ATOM 102 C GLU A 8 -10.221 -0.036 5.567 1.00 0.00 C ATOM 103 O GLU A 8 -11.390 0.117 5.214 1.00 0.00 O ATOM 104 CB GLU A 8 -9.740 -1.655 7.419 1.00 0.00 C ATOM 105 CG GLU A 8 -9.462 -3.090 7.846 1.00 0.00 C ATOM 106 CD GLU A 8 -9.493 -3.231 9.342 1.00 0.00 C ATOM 107 OE1 GLU A 8 -9.677 -2.242 10.009 1.00 0.00 O ATOM 108 OE2 GLU A 8 -9.444 -4.342 9.816 1.00 0.00 O ATOM 0 H GLU A 8 -7.598 -1.508 6.138 1.00 0.00 H new ATOM 0 HA GLU A 8 -10.307 -2.165 5.416 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -9.018 -0.998 7.904 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -10.727 -1.366 7.781 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -10.203 -3.754 7.401 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -8.488 -3.401 7.469 1.00 0.00 H new ATOM 115 N ASP A 9 -9.361 0.971 5.674 1.00 0.00 N ATOM 116 CA ASP A 9 -9.788 2.359 5.551 1.00 0.00 C ATOM 117 C ASP A 9 -9.891 2.767 4.084 1.00 0.00 C ATOM 118 O ASP A 9 -10.452 3.813 3.759 1.00 0.00 O ATOM 119 CB ASP A 9 -8.823 3.287 6.292 1.00 0.00 C ATOM 120 CG ASP A 9 -8.918 3.211 7.811 1.00 0.00 C ATOM 121 OD1 ASP A 9 -9.895 2.696 8.299 1.00 0.00 O ATOM 122 OD2 ASP A 9 -7.950 3.524 8.462 1.00 0.00 O ATOM 0 H ASP A 9 -8.363 0.851 5.846 1.00 0.00 H new ATOM 0 HA ASP A 9 -10.775 2.450 6.004 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -7.803 3.046 5.991 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -9.013 4.314 5.979 1.00 0.00 H new ATOM 127 N MET A 10 -9.345 1.935 3.204 1.00 0.00 N ATOM 128 CA MET A 10 -9.354 2.222 1.775 1.00 0.00 C ATOM 129 C MET A 10 -10.779 2.253 1.234 1.00 0.00 C ATOM 130 O MET A 10 -11.506 1.261 1.312 1.00 0.00 O ATOM 131 CB MET A 10 -8.523 1.185 1.020 1.00 0.00 C ATOM 132 CG MET A 10 -8.367 1.465 -0.468 1.00 0.00 C ATOM 133 SD MET A 10 -7.393 0.203 -1.313 1.00 0.00 S ATOM 134 CE MET A 10 -5.744 0.614 -0.749 1.00 0.00 C ATOM 0 H MET A 10 -8.891 1.057 3.455 1.00 0.00 H new ATOM 0 HA MET A 10 -8.911 3.206 1.624 1.00 0.00 H new ATOM 0 HB2 MET A 10 -7.533 1.131 1.473 1.00 0.00 H new ATOM 0 HB3 MET A 10 -8.985 0.206 1.146 1.00 0.00 H new ATOM 0 HG2 MET A 10 -9.353 1.526 -0.928 1.00 0.00 H new ATOM 0 HG3 MET A 10 -7.892 2.437 -0.603 1.00 0.00 H new ATOM 0 HE1 MET A 10 -5.028 -0.091 -1.173 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.491 1.625 -1.069 1.00 0.00 H new ATOM 0 HE3 MET A 10 -5.707 0.558 0.339 1.00 0.00 H new ATOM 144 N THR A 11 -11.177 3.396 0.685 1.00 0.00 N ATOM 145 CA THR A 11 -12.572 3.633 0.335 1.00 0.00 C ATOM 146 C THR A 11 -12.727 3.876 -1.162 1.00 0.00 C ATOM 147 O THR A 11 -13.644 3.348 -1.793 1.00 0.00 O ATOM 148 CB THR A 11 -13.151 4.834 1.104 1.00 0.00 C ATOM 149 OG1 THR A 11 -13.028 4.607 2.514 1.00 0.00 O ATOM 150 CG2 THR A 11 -14.617 5.034 0.752 1.00 0.00 C ATOM 0 H THR A 11 -10.552 4.173 0.473 1.00 0.00 H new ATOM 0 HA THR A 11 -13.125 2.736 0.615 1.00 0.00 H new ATOM 0 HB THR A 11 -12.595 5.729 0.824 1.00 0.00 H new ATOM 0 HG1 THR A 11 -12.084 4.479 2.744 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.011 5.887 1.304 1.00 0.00 H new ATOM 0 HG22 THR A 11 -14.712 5.219 -0.318 1.00 0.00 H new ATOM 0 HG23 THR A 11 -15.180 4.139 1.017 1.00 0.00 H new ATOM 158 N CYS A 12 -11.829 4.676 -1.723 1.00 0.00 N ATOM 159 CA CYS A 12 -11.962 5.126 -3.105 1.00 0.00 C ATOM 160 C CYS A 12 -10.594 5.303 -3.754 1.00 0.00 C ATOM 161 O CYS A 12 -9.562 5.162 -3.099 1.00 0.00 O ATOM 162 CB CYS A 12 -12.667 6.475 -2.957 1.00 0.00 C ATOM 163 SG CYS A 12 -11.721 7.718 -2.045 1.00 0.00 S ATOM 0 H CYS A 12 -11.000 5.027 -1.243 1.00 0.00 H new ATOM 0 HA CYS A 12 -12.501 4.420 -3.737 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -12.892 6.864 -3.950 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -13.620 6.319 -2.452 1.00 0.00 H new ATOM 0 HG CYS A 12 -12.405 8.821 -1.979 1.00 0.00 H new ATOM 169 N GLY A 13 -10.593 5.609 -5.048 1.00 0.00 N ATOM 170 CA GLY A 13 -9.349 5.700 -5.788 1.00 0.00 C ATOM 171 C GLY A 13 -8.376 6.684 -5.168 1.00 0.00 C ATOM 172 O GLY A 13 -7.161 6.523 -5.281 1.00 0.00 O ATOM 0 H GLY A 13 -11.432 5.795 -5.597 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -8.885 4.715 -5.834 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -9.561 6.001 -6.814 1.00 0.00 H new ATOM 176 N HIS A 14 -8.911 7.709 -4.512 1.00 0.00 N ATOM 177 CA HIS A 14 -8.085 8.675 -3.797 1.00 0.00 C ATOM 178 C HIS A 14 -7.262 7.990 -2.711 1.00 0.00 C ATOM 179 O HIS A 14 -6.050 8.192 -2.616 1.00 0.00 O ATOM 180 CB HIS A 14 -8.950 9.781 -3.184 1.00 0.00 C ATOM 181 CG HIS A 14 -8.177 10.760 -2.355 1.00 0.00 C ATOM 182 ND1 HIS A 14 -7.382 11.740 -2.912 1.00 0.00 N ATOM 183 CD2 HIS A 14 -8.076 10.909 -1.015 1.00 0.00 C ATOM 184 CE1 HIS A 14 -6.826 12.451 -1.946 1.00 0.00 C ATOM 185 NE2 HIS A 14 -7.230 11.967 -0.787 1.00 0.00 N ATOM 0 H HIS A 14 -9.913 7.892 -4.461 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.401 9.126 -4.516 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -9.459 10.318 -3.985 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -9.723 9.325 -2.565 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -8.568 10.309 -0.264 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -6.155 13.286 -2.082 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -6.958 12.321 0.130 1.00 0.00 H new ATOM 192 N CYS A 15 -7.926 7.181 -1.895 1.00 0.00 N ATOM 193 CA CYS A 15 -7.260 6.484 -0.800 1.00 0.00 C ATOM 194 C CYS A 15 -6.238 5.485 -1.334 1.00 0.00 C ATOM 195 O CYS A 15 -5.155 5.329 -0.771 1.00 0.00 O ATOM 196 CB CYS A 15 -8.413 5.758 -0.106 1.00 0.00 C ATOM 197 SG CYS A 15 -9.600 6.851 0.713 1.00 0.00 S ATOM 0 H CYS A 15 -8.925 6.991 -1.970 1.00 0.00 H new ATOM 0 HA CYS A 15 -6.707 7.151 -0.138 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -8.942 5.154 -0.843 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -8.001 5.070 0.633 1.00 0.00 H new ATOM 0 HG CYS A 15 -10.469 7.276 -0.155 1.00 0.00 H new ATOM 203 N ALA A 16 -6.592 4.810 -2.423 1.00 0.00 N ATOM 204 CA ALA A 16 -5.671 3.898 -3.089 1.00 0.00 C ATOM 205 C ALA A 16 -4.466 4.648 -3.648 1.00 0.00 C ATOM 206 O ALA A 16 -3.339 4.155 -3.600 1.00 0.00 O ATOM 207 CB ALA A 16 -6.386 3.143 -4.200 1.00 0.00 C ATOM 0 H ALA A 16 -7.510 4.878 -2.862 1.00 0.00 H new ATOM 0 HA ALA A 16 -5.311 3.181 -2.351 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -5.686 2.466 -4.689 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.211 2.569 -3.778 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -6.774 3.853 -4.931 1.00 0.00 H new ATOM 213 N GLY A 17 -4.711 5.843 -4.177 1.00 0.00 N ATOM 214 CA GLY A 17 -3.635 6.643 -4.734 1.00 0.00 C ATOM 215 C GLY A 17 -2.633 7.077 -3.682 1.00 0.00 C ATOM 216 O GLY A 17 -1.425 7.061 -3.921 1.00 0.00 O ATOM 0 H GLY A 17 -5.635 6.272 -4.230 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.122 6.070 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.055 7.525 -5.218 1.00 0.00 H new ATOM 220 N VAL A 18 -3.134 7.466 -2.514 1.00 0.00 N ATOM 221 CA VAL A 18 -2.275 7.924 -1.429 1.00 0.00 C ATOM 222 C VAL A 18 -1.368 6.802 -0.936 1.00 0.00 C ATOM 223 O VAL A 18 -0.164 6.994 -0.762 1.00 0.00 O ATOM 224 CB VAL A 18 -3.099 8.465 -0.245 1.00 0.00 C ATOM 225 CG1 VAL A 18 -2.198 8.739 0.950 1.00 0.00 C ATOM 226 CG2 VAL A 18 -3.846 9.727 -0.648 1.00 0.00 C ATOM 0 H VAL A 18 -4.130 7.473 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.663 8.732 -1.831 1.00 0.00 H new ATOM 0 HB VAL A 18 -3.830 7.708 0.040 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -2.797 9.121 1.777 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.706 7.815 1.254 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.445 9.478 0.676 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -4.423 10.095 0.201 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -3.131 10.489 -0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -4.520 9.503 -1.475 1.00 0.00 H new ATOM 236 N ILE A 19 -1.954 5.631 -0.712 1.00 0.00 N ATOM 237 CA ILE A 19 -1.191 4.467 -0.279 1.00 0.00 C ATOM 238 C ILE A 19 -0.212 4.019 -1.359 1.00 0.00 C ATOM 239 O ILE A 19 0.949 3.720 -1.075 1.00 0.00 O ATOM 240 CB ILE A 19 -2.115 3.290 0.085 1.00 0.00 C ATOM 241 CG1 ILE A 19 -2.924 3.615 1.343 1.00 0.00 C ATOM 242 CG2 ILE A 19 -1.303 2.019 0.285 1.00 0.00 C ATOM 243 CD1 ILE A 19 -4.056 2.649 1.608 1.00 0.00 C ATOM 0 H ILE A 19 -2.954 5.463 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.635 4.767 0.609 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.810 3.128 -0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.254 3.620 2.203 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -3.332 4.622 1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -1.971 1.197 0.542 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -0.770 1.779 -0.635 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -0.586 2.169 1.092 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -4.582 2.945 2.515 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.749 2.661 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -3.654 1.643 1.733 1.00 0.00 H new ATOM 255 N LYS A 20 -0.685 3.976 -2.599 1.00 0.00 N ATOM 256 CA LYS A 20 0.150 3.577 -3.725 1.00 0.00 C ATOM 257 C LYS A 20 1.394 4.454 -3.818 1.00 0.00 C ATOM 258 O LYS A 20 2.507 3.954 -3.978 1.00 0.00 O ATOM 259 CB LYS A 20 -0.643 3.643 -5.032 1.00 0.00 C ATOM 260 CG LYS A 20 0.137 3.201 -6.263 1.00 0.00 C ATOM 261 CD LYS A 20 -0.714 3.294 -7.520 1.00 0.00 C ATOM 262 CE LYS A 20 0.131 3.142 -8.776 1.00 0.00 C ATOM 263 NZ LYS A 20 0.410 1.714 -9.089 1.00 0.00 N ATOM 0 H LYS A 20 -1.645 4.213 -2.850 1.00 0.00 H new ATOM 0 HA LYS A 20 0.468 2.547 -3.560 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.531 3.019 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.987 4.666 -5.183 1.00 0.00 H new ATOM 0 HG2 LYS A 20 1.025 3.823 -6.376 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.481 2.175 -6.129 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.481 2.520 -7.500 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.230 4.254 -7.541 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.384 3.604 -9.618 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.073 3.676 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.915 1.650 -9.996 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 0.997 1.302 -8.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -0.487 1.191 -9.154 1.00 0.00 H new ATOM 277 N GLY A 21 1.197 5.766 -3.716 1.00 0.00 N ATOM 278 CA GLY A 21 2.315 6.691 -3.778 1.00 0.00 C ATOM 279 C GLY A 21 3.228 6.576 -2.574 1.00 0.00 C ATOM 280 O GLY A 21 4.452 6.616 -2.708 1.00 0.00 O ATOM 0 H GLY A 21 0.284 6.204 -3.592 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.889 6.502 -4.685 1.00 0.00 H new ATOM 0 HA3 GLY A 21 1.936 7.711 -3.847 1.00 0.00 H new ATOM 284 N ALA A 22 2.636 6.435 -1.393 1.00 0.00 N ATOM 285 CA ALA A 22 3.401 6.397 -0.153 1.00 0.00 C ATOM 286 C ALA A 22 4.382 5.230 -0.149 1.00 0.00 C ATOM 287 O ALA A 22 5.537 5.378 0.252 1.00 0.00 O ATOM 288 CB ALA A 22 2.463 6.307 1.042 1.00 0.00 C ATOM 0 H ALA A 22 1.628 6.345 -1.269 1.00 0.00 H new ATOM 0 HA ALA A 22 3.976 7.320 -0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.047 6.279 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.806 7.177 1.055 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.863 5.400 0.966 1.00 0.00 H new ATOM 294 N ILE A 23 3.914 4.069 -0.596 1.00 0.00 N ATOM 295 CA ILE A 23 4.765 2.889 -0.690 1.00 0.00 C ATOM 296 C ILE A 23 5.747 3.009 -1.849 1.00 0.00 C ATOM 297 O ILE A 23 6.948 2.804 -1.683 1.00 0.00 O ATOM 298 CB ILE A 23 3.932 1.605 -0.864 1.00 0.00 C ATOM 299 CG1 ILE A 23 3.094 1.338 0.390 1.00 0.00 C ATOM 300 CG2 ILE A 23 4.837 0.421 -1.165 1.00 0.00 C ATOM 301 CD1 ILE A 23 2.057 0.253 0.210 1.00 0.00 C ATOM 0 H ILE A 23 2.951 3.921 -0.898 1.00 0.00 H new ATOM 0 HA ILE A 23 5.320 2.826 0.246 1.00 0.00 H new ATOM 0 HB ILE A 23 3.255 1.742 -1.707 1.00 0.00 H new ATOM 0 HG12 ILE A 23 3.759 1.060 1.208 1.00 0.00 H new ATOM 0 HG13 ILE A 23 2.594 2.261 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 23 4.232 -0.478 -1.285 1.00 0.00 H new ATOM 0 HG22 ILE A 23 5.391 0.611 -2.084 1.00 0.00 H new ATOM 0 HG23 ILE A 23 5.537 0.280 -0.342 1.00 0.00 H new ATOM 0 HD11 ILE A 23 1.504 0.121 1.140 1.00 0.00 H new ATOM 0 HD12 ILE A 23 1.368 0.537 -0.585 1.00 0.00 H new ATOM 0 HD13 ILE A 23 2.551 -0.682 -0.054 1.00 0.00 H new ATOM 313 N GLU A 24 5.226 3.345 -3.026 1.00 0.00 N ATOM 314 CA GLU A 24 6.023 3.322 -4.247 1.00 0.00 C ATOM 315 C GLU A 24 7.289 4.155 -4.087 1.00 0.00 C ATOM 316 O GLU A 24 8.379 3.731 -4.472 1.00 0.00 O ATOM 317 CB GLU A 24 5.200 3.831 -5.433 1.00 0.00 C ATOM 318 CG GLU A 24 5.924 3.773 -6.771 1.00 0.00 C ATOM 319 CD GLU A 24 6.044 2.358 -7.267 1.00 0.00 C ATOM 320 OE1 GLU A 24 5.045 1.682 -7.321 1.00 0.00 O ATOM 321 OE2 GLU A 24 7.111 1.989 -7.696 1.00 0.00 O ATOM 0 H GLU A 24 4.257 3.636 -3.159 1.00 0.00 H new ATOM 0 HA GLU A 24 6.315 2.290 -4.440 1.00 0.00 H new ATOM 0 HB2 GLU A 24 4.284 3.244 -5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.903 4.862 -5.238 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.386 4.373 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 24 6.917 4.210 -6.669 1.00 0.00 H new ATOM 328 N LYS A 25 7.139 5.346 -3.518 1.00 0.00 N ATOM 329 CA LYS A 25 8.263 6.259 -3.339 1.00 0.00 C ATOM 330 C LYS A 25 9.279 5.685 -2.357 1.00 0.00 C ATOM 331 O LYS A 25 10.475 5.957 -2.453 1.00 0.00 O ATOM 332 CB LYS A 25 7.775 7.626 -2.857 1.00 0.00 C ATOM 333 CG LYS A 25 7.004 8.423 -3.901 1.00 0.00 C ATOM 334 CD LYS A 25 6.529 9.755 -3.340 1.00 0.00 C ATOM 335 CE LYS A 25 5.742 10.543 -4.376 1.00 0.00 C ATOM 336 NZ LYS A 25 5.260 11.844 -3.838 1.00 0.00 N ATOM 0 H LYS A 25 6.248 5.703 -3.172 1.00 0.00 H new ATOM 0 HA LYS A 25 8.752 6.384 -4.305 1.00 0.00 H new ATOM 0 HB2 LYS A 25 7.139 7.484 -1.983 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.635 8.212 -2.533 1.00 0.00 H new ATOM 0 HG2 LYS A 25 7.639 8.597 -4.770 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.147 7.844 -4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 25 5.906 9.581 -2.463 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.388 10.340 -3.010 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.370 10.722 -5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.890 9.951 -4.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.729 12.349 -4.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.640 11.673 -3.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.074 12.420 -3.541 1.00 0.00 H new ATOM 350 N THR A 26 8.794 4.887 -1.409 1.00 0.00 N ATOM 351 CA THR A 26 9.625 4.412 -0.311 1.00 0.00 C ATOM 352 C THR A 26 10.203 3.034 -0.617 1.00 0.00 C ATOM 353 O THR A 26 11.055 2.531 0.117 1.00 0.00 O ATOM 354 CB THR A 26 8.835 4.346 1.009 1.00 0.00 C ATOM 355 OG1 THR A 26 7.657 3.551 0.824 1.00 0.00 O ATOM 356 CG2 THR A 26 8.435 5.742 1.461 1.00 0.00 C ATOM 0 H THR A 26 7.829 4.557 -1.381 1.00 0.00 H new ATOM 0 HA THR A 26 10.439 5.128 -0.199 1.00 0.00 H new ATOM 0 HB THR A 26 9.469 3.896 1.773 1.00 0.00 H new ATOM 0 HG1 THR A 26 6.896 4.135 0.625 1.00 0.00 H new ATOM 0 HG21 THR A 26 7.878 5.676 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 26 9.330 6.345 1.614 1.00 0.00 H new ATOM 0 HG23 THR A 26 7.811 6.207 0.698 1.00 0.00 H new ATOM 364 N VAL A 27 9.736 2.429 -1.705 1.00 0.00 N ATOM 365 CA VAL A 27 10.289 1.163 -2.171 1.00 0.00 C ATOM 366 C VAL A 27 10.820 1.288 -3.595 1.00 0.00 C ATOM 367 O VAL A 27 10.181 0.869 -4.561 1.00 0.00 O ATOM 368 CB VAL A 27 9.240 0.036 -2.121 1.00 0.00 C ATOM 369 CG1 VAL A 27 8.656 -0.087 -0.721 1.00 0.00 C ATOM 370 CG2 VAL A 27 8.137 0.289 -3.137 1.00 0.00 C ATOM 0 H VAL A 27 8.977 2.795 -2.279 1.00 0.00 H new ATOM 0 HA VAL A 27 11.110 0.911 -1.500 1.00 0.00 H new ATOM 0 HB VAL A 27 9.732 -0.903 -2.373 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.917 -0.888 -0.704 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.453 -0.314 -0.013 1.00 0.00 H new ATOM 0 HG13 VAL A 27 8.179 0.853 -0.442 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.405 -0.517 -3.088 1.00 0.00 H new ATOM 0 HG22 VAL A 27 7.648 1.237 -2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 27 8.566 0.328 -4.138 1.00 0.00 H new ATOM 380 N PRO A 28 12.017 1.877 -3.730 1.00 0.00 N ATOM 381 CA PRO A 28 12.665 2.062 -5.032 1.00 0.00 C ATOM 382 C PRO A 28 13.039 0.736 -5.688 1.00 0.00 C ATOM 383 O PRO A 28 13.631 -0.136 -5.053 1.00 0.00 O ATOM 384 CB PRO A 28 13.902 2.906 -4.712 1.00 0.00 C ATOM 385 CG PRO A 28 14.171 2.638 -3.270 1.00 0.00 C ATOM 386 CD PRO A 28 12.817 2.466 -2.636 1.00 0.00 C ATOM 0 HA PRO A 28 12.004 2.542 -5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 28 14.750 2.620 -5.334 1.00 0.00 H new ATOM 0 HB3 PRO A 28 13.718 3.965 -4.892 1.00 0.00 H new ATOM 0 HG2 PRO A 28 14.780 1.743 -3.144 1.00 0.00 H new ATOM 0 HG3 PRO A 28 14.717 3.463 -2.812 1.00 0.00 H new ATOM 0 HD2 PRO A 28 12.858 1.810 -1.766 1.00 0.00 H new ATOM 0 HD3 PRO A 28 12.404 3.417 -2.299 1.00 0.00 H new ATOM 394 N GLY A 29 12.688 0.591 -6.963 1.00 0.00 N ATOM 395 CA GLY A 29 12.974 -0.639 -7.676 1.00 0.00 C ATOM 396 C GLY A 29 11.804 -1.602 -7.661 1.00 0.00 C ATOM 397 O GLY A 29 11.729 -2.511 -8.488 1.00 0.00 O ATOM 0 H GLY A 29 12.211 1.304 -7.514 1.00 0.00 H new ATOM 0 HA2 GLY A 29 13.235 -0.405 -8.708 1.00 0.00 H new ATOM 0 HA3 GLY A 29 13.843 -1.121 -7.229 1.00 0.00 H new ATOM 401 N ALA A 30 10.888 -1.405 -6.719 1.00 0.00 N ATOM 402 CA ALA A 30 9.727 -2.276 -6.586 1.00 0.00 C ATOM 403 C ALA A 30 8.448 -1.551 -6.987 1.00 0.00 C ATOM 404 O ALA A 30 8.287 -0.359 -6.719 1.00 0.00 O ATOM 405 CB ALA A 30 9.617 -2.796 -5.161 1.00 0.00 C ATOM 0 H ALA A 30 10.928 -0.649 -6.036 1.00 0.00 H new ATOM 0 HA ALA A 30 9.860 -3.122 -7.260 1.00 0.00 H new ATOM 0 HB1 ALA A 30 8.745 -3.445 -5.077 1.00 0.00 H new ATOM 0 HB2 ALA A 30 10.515 -3.360 -4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 30 9.512 -1.956 -4.474 1.00 0.00 H new ATOM 411 N ALA A 31 7.539 -2.275 -7.632 1.00 0.00 N ATOM 412 CA ALA A 31 6.264 -1.705 -8.052 1.00 0.00 C ATOM 413 C ALA A 31 5.157 -2.050 -7.062 1.00 0.00 C ATOM 414 O ALA A 31 5.008 -3.203 -6.659 1.00 0.00 O ATOM 415 CB ALA A 31 5.901 -2.194 -9.445 1.00 0.00 C ATOM 0 H ALA A 31 7.662 -3.258 -7.875 1.00 0.00 H new ATOM 0 HA ALA A 31 6.369 -0.620 -8.076 1.00 0.00 H new ATOM 0 HB1 ALA A 31 4.947 -1.761 -9.746 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.675 -1.892 -10.150 1.00 0.00 H new ATOM 0 HB3 ALA A 31 5.820 -3.281 -9.439 1.00 0.00 H new ATOM 421 N VAL A 32 4.383 -1.042 -6.674 1.00 0.00 N ATOM 422 CA VAL A 32 3.197 -1.261 -5.852 1.00 0.00 C ATOM 423 C VAL A 32 1.956 -0.665 -6.507 1.00 0.00 C ATOM 424 O VAL A 32 1.973 0.476 -6.971 1.00 0.00 O ATOM 425 CB VAL A 32 3.365 -0.655 -4.446 1.00 0.00 C ATOM 426 CG1 VAL A 32 3.616 0.843 -4.538 1.00 0.00 C ATOM 427 CG2 VAL A 32 2.137 -0.936 -3.595 1.00 0.00 C ATOM 0 H VAL A 32 4.555 -0.066 -6.915 1.00 0.00 H new ATOM 0 HA VAL A 32 3.073 -2.340 -5.760 1.00 0.00 H new ATOM 0 HB VAL A 32 4.228 -1.121 -3.971 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.732 1.255 -3.535 1.00 0.00 H new ATOM 0 HG12 VAL A 32 4.524 1.025 -5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.772 1.324 -5.032 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.273 -0.501 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 32 1.259 -0.496 -4.067 1.00 0.00 H new ATOM 0 HG23 VAL A 32 1.998 -2.013 -3.502 1.00 0.00 H new ATOM 437 N HIS A 33 0.880 -1.445 -6.542 1.00 0.00 N ATOM 438 CA HIS A 33 -0.400 -0.960 -7.044 1.00 0.00 C ATOM 439 C HIS A 33 -1.517 -1.231 -6.041 1.00 0.00 C ATOM 440 O HIS A 33 -1.661 -2.349 -5.546 1.00 0.00 O ATOM 441 CB HIS A 33 -0.735 -1.607 -8.393 1.00 0.00 C ATOM 442 CG HIS A 33 -1.989 -1.080 -9.017 1.00 0.00 C ATOM 443 ND1 HIS A 33 -2.088 0.200 -9.521 1.00 0.00 N ATOM 444 CD2 HIS A 33 -3.196 -1.659 -9.221 1.00 0.00 C ATOM 445 CE1 HIS A 33 -3.303 0.385 -10.008 1.00 0.00 C ATOM 446 NE2 HIS A 33 -3.994 -0.727 -9.838 1.00 0.00 N ATOM 0 H HIS A 33 0.870 -2.416 -6.229 1.00 0.00 H new ATOM 0 HA HIS A 33 -0.316 0.118 -7.185 1.00 0.00 H new ATOM 0 HB2 HIS A 33 0.097 -1.447 -9.079 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -0.833 -2.684 -8.255 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -3.478 -2.665 -8.949 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -3.668 1.292 -10.467 1.00 0.00 H new ATOM 0 HE2 HIS A 33 -4.964 -0.871 -10.119 1.00 0.00 H new ATOM 453 N ALA A 34 -2.305 -0.203 -5.745 1.00 0.00 N ATOM 454 CA ALA A 34 -3.418 -0.335 -4.813 1.00 0.00 C ATOM 455 C ALA A 34 -4.754 -0.278 -5.544 1.00 0.00 C ATOM 456 O ALA A 34 -4.919 0.482 -6.499 1.00 0.00 O ATOM 457 CB ALA A 34 -3.348 0.752 -3.751 1.00 0.00 C ATOM 0 H ALA A 34 -2.193 0.732 -6.138 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.341 -1.308 -4.327 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.185 0.642 -3.062 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -2.411 0.664 -3.201 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -3.398 1.731 -4.228 1.00 0.00 H new ATOM 463 N ASP A 35 -5.706 -1.087 -5.092 1.00 0.00 N ATOM 464 CA ASP A 35 -7.031 -1.122 -5.698 1.00 0.00 C ATOM 465 C ASP A 35 -8.118 -0.942 -4.641 1.00 0.00 C ATOM 466 O ASP A 35 -8.247 -1.734 -3.708 1.00 0.00 O ATOM 467 CB ASP A 35 -7.243 -2.435 -6.454 1.00 0.00 C ATOM 468 CG ASP A 35 -8.566 -2.523 -7.204 1.00 0.00 C ATOM 469 OD1 ASP A 35 -9.589 -2.341 -6.587 1.00 0.00 O ATOM 470 OD2 ASP A 35 -8.538 -2.616 -8.407 1.00 0.00 O ATOM 0 H ASP A 35 -5.584 -1.727 -4.308 1.00 0.00 H new ATOM 0 HA ASP A 35 -7.099 -0.296 -6.406 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -6.427 -2.567 -7.165 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -7.185 -3.261 -5.746 1.00 0.00 H new ATOM 475 N PRO A 36 -8.916 0.124 -4.789 1.00 0.00 N ATOM 476 CA PRO A 36 -9.935 0.494 -3.802 1.00 0.00 C ATOM 477 C PRO A 36 -11.183 -0.376 -3.904 1.00 0.00 C ATOM 478 O PRO A 36 -11.893 -0.578 -2.920 1.00 0.00 O ATOM 479 CB PRO A 36 -10.264 1.947 -4.158 1.00 0.00 C ATOM 480 CG PRO A 36 -9.953 2.060 -5.610 1.00 0.00 C ATOM 481 CD PRO A 36 -8.773 1.159 -5.852 1.00 0.00 C ATOM 0 HA PRO A 36 -9.580 0.362 -2.780 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -11.311 2.176 -3.958 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -9.667 2.644 -3.570 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -10.806 1.757 -6.217 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -9.720 3.090 -5.880 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -8.799 0.719 -6.849 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -7.830 1.698 -5.766 1.00 0.00 H new ATOM 489 N ALA A 37 -11.445 -0.887 -5.103 1.00 0.00 N ATOM 490 CA ALA A 37 -12.577 -1.779 -5.322 1.00 0.00 C ATOM 491 C ALA A 37 -12.392 -3.096 -4.575 1.00 0.00 C ATOM 492 O ALA A 37 -13.343 -3.645 -4.018 1.00 0.00 O ATOM 493 CB ALA A 37 -12.766 -2.037 -6.808 1.00 0.00 C ATOM 0 H ALA A 37 -10.889 -0.698 -5.937 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.471 -1.292 -4.932 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -13.615 -2.705 -6.956 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.953 -1.093 -7.320 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.866 -2.498 -7.215 1.00 0.00 H new ATOM 499 N SER A 38 -11.161 -3.598 -4.566 1.00 0.00 N ATOM 500 CA SER A 38 -10.833 -4.805 -3.817 1.00 0.00 C ATOM 501 C SER A 38 -10.229 -4.454 -2.460 1.00 0.00 C ATOM 502 O SER A 38 -9.995 -5.330 -1.627 1.00 0.00 O ATOM 503 CB SER A 38 -9.878 -5.672 -4.613 1.00 0.00 C ATOM 504 OG SER A 38 -8.642 -5.045 -4.819 1.00 0.00 O ATOM 0 H SER A 38 -10.375 -3.187 -5.069 1.00 0.00 H new ATOM 0 HA SER A 38 -11.753 -5.363 -3.645 1.00 0.00 H new ATOM 0 HB2 SER A 38 -9.722 -6.615 -4.089 1.00 0.00 H new ATOM 0 HB3 SER A 38 -10.326 -5.914 -5.577 1.00 0.00 H new ATOM 0 HG SER A 38 -8.056 -5.638 -5.334 1.00 0.00 H new ATOM 510 N ARG A 39 -9.981 -3.166 -2.245 1.00 0.00 N ATOM 511 CA ARG A 39 -9.397 -2.698 -0.993 1.00 0.00 C ATOM 512 C ARG A 39 -8.071 -3.399 -0.716 1.00 0.00 C ATOM 513 O ARG A 39 -7.739 -3.694 0.432 1.00 0.00 O ATOM 514 CB ARG A 39 -10.359 -2.839 0.179 1.00 0.00 C ATOM 515 CG ARG A 39 -11.628 -2.010 0.067 1.00 0.00 C ATOM 516 CD ARG A 39 -12.553 -2.148 1.220 1.00 0.00 C ATOM 517 NE ARG A 39 -13.852 -1.521 1.031 1.00 0.00 N ATOM 518 CZ ARG A 39 -14.864 -1.574 1.918 1.00 0.00 C ATOM 519 NH1 ARG A 39 -14.749 -2.254 3.037 1.00 0.00 N ATOM 520 NH2 ARG A 39 -15.987 -0.945 1.621 1.00 0.00 N ATOM 0 H ARG A 39 -10.175 -2.428 -2.921 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.198 -1.632 -1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.635 -3.889 0.279 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.838 -2.558 1.094 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.354 -0.960 -0.040 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -12.155 -2.296 -0.843 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.702 -3.208 1.425 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -12.080 -1.716 2.102 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.007 -1.005 0.165 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -13.883 -2.752 3.244 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -15.525 -2.284 3.698 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -16.070 -0.438 0.740 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.771 -0.967 2.273 1.00 0.00 H new ATOM 534 N THR A 40 -7.314 -3.662 -1.777 1.00 0.00 N ATOM 535 CA THR A 40 -6.140 -4.521 -1.685 1.00 0.00 C ATOM 536 C THR A 40 -4.912 -3.838 -2.275 1.00 0.00 C ATOM 537 O THR A 40 -4.995 -3.168 -3.304 1.00 0.00 O ATOM 538 CB THR A 40 -6.366 -5.863 -2.405 1.00 0.00 C ATOM 539 OG1 THR A 40 -7.443 -6.571 -1.777 1.00 0.00 O ATOM 540 CG2 THR A 40 -5.106 -6.715 -2.352 1.00 0.00 C ATOM 0 H THR A 40 -7.493 -3.292 -2.710 1.00 0.00 H new ATOM 0 HA THR A 40 -5.971 -4.712 -0.625 1.00 0.00 H new ATOM 0 HB THR A 40 -6.614 -5.661 -3.447 1.00 0.00 H new ATOM 0 HG1 THR A 40 -8.257 -6.027 -1.813 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.284 -7.660 -2.866 1.00 0.00 H new ATOM 0 HG22 THR A 40 -4.288 -6.185 -2.840 1.00 0.00 H new ATOM 0 HG23 THR A 40 -4.843 -6.911 -1.313 1.00 0.00 H new ATOM 548 N VAL A 41 -3.770 -4.012 -1.615 1.00 0.00 N ATOM 549 CA VAL A 41 -2.505 -3.503 -2.131 1.00 0.00 C ATOM 550 C VAL A 41 -1.574 -4.643 -2.529 1.00 0.00 C ATOM 551 O VAL A 41 -1.318 -5.553 -1.741 1.00 0.00 O ATOM 552 CB VAL A 41 -1.794 -2.614 -1.093 1.00 0.00 C ATOM 553 CG1 VAL A 41 -0.460 -2.123 -1.634 1.00 0.00 C ATOM 554 CG2 VAL A 41 -2.680 -1.443 -0.698 1.00 0.00 C ATOM 0 H VAL A 41 -3.696 -4.501 -0.723 1.00 0.00 H new ATOM 0 HA VAL A 41 -2.740 -2.906 -3.012 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.601 -3.211 -0.202 1.00 0.00 H new ATOM 0 HG11 VAL A 41 0.027 -1.497 -0.887 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.177 -2.978 -1.862 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.627 -1.542 -2.541 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.162 -0.826 0.036 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.907 -0.844 -1.580 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.608 -1.818 -0.266 1.00 0.00 H new ATOM 564 N VAL A 42 -1.071 -4.587 -3.759 1.00 0.00 N ATOM 565 CA VAL A 42 -0.110 -5.574 -4.236 1.00 0.00 C ATOM 566 C VAL A 42 1.243 -4.928 -4.518 1.00 0.00 C ATOM 567 O VAL A 42 1.342 -3.979 -5.294 1.00 0.00 O ATOM 568 CB VAL A 42 -0.608 -6.277 -5.512 1.00 0.00 C ATOM 569 CG1 VAL A 42 0.429 -7.273 -6.009 1.00 0.00 C ATOM 570 CG2 VAL A 42 -1.933 -6.977 -5.251 1.00 0.00 C ATOM 0 H VAL A 42 -1.313 -3.869 -4.442 1.00 0.00 H new ATOM 0 HA VAL A 42 0.000 -6.316 -3.445 1.00 0.00 H new ATOM 0 HB VAL A 42 -0.762 -5.523 -6.284 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.061 -7.761 -6.912 1.00 0.00 H new ATOM 0 HG12 VAL A 42 1.358 -6.749 -6.233 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.611 -8.023 -5.239 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.271 -7.469 -6.163 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.803 -7.721 -4.465 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -2.676 -6.244 -4.938 1.00 0.00 H new ATOM 580 N VAL A 43 2.286 -5.452 -3.880 1.00 0.00 N ATOM 581 CA VAL A 43 3.622 -4.879 -4.002 1.00 0.00 C ATOM 582 C VAL A 43 4.660 -5.963 -4.273 1.00 0.00 C ATOM 583 O VAL A 43 4.603 -7.050 -3.700 1.00 0.00 O ATOM 584 CB VAL A 43 4.022 -4.103 -2.732 1.00 0.00 C ATOM 585 CG1 VAL A 43 4.053 -5.032 -1.528 1.00 0.00 C ATOM 586 CG2 VAL A 43 5.375 -3.434 -2.921 1.00 0.00 C ATOM 0 H VAL A 43 2.231 -6.271 -3.274 1.00 0.00 H new ATOM 0 HA VAL A 43 3.594 -4.187 -4.844 1.00 0.00 H new ATOM 0 HB VAL A 43 3.276 -3.329 -2.552 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.337 -4.467 -0.640 1.00 0.00 H new ATOM 0 HG12 VAL A 43 3.065 -5.468 -1.380 1.00 0.00 H new ATOM 0 HG13 VAL A 43 4.779 -5.827 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.642 -2.890 -2.015 1.00 0.00 H new ATOM 0 HG22 VAL A 43 6.131 -4.193 -3.125 1.00 0.00 H new ATOM 0 HG23 VAL A 43 5.323 -2.739 -3.759 1.00 0.00 H new ATOM 596 N GLY A 44 5.610 -5.657 -5.152 1.00 0.00 N ATOM 597 CA GLY A 44 6.677 -6.596 -5.447 1.00 0.00 C ATOM 598 C GLY A 44 7.652 -6.746 -4.297 1.00 0.00 C ATOM 599 O GLY A 44 7.366 -6.334 -3.173 1.00 0.00 O ATOM 0 H GLY A 44 5.660 -4.777 -5.665 1.00 0.00 H new ATOM 0 HA2 GLY A 44 6.246 -7.569 -5.683 1.00 0.00 H new ATOM 0 HA3 GLY A 44 7.215 -6.263 -6.334 1.00 0.00 H new ATOM 603 N GLY A 45 8.809 -7.340 -4.577 1.00 0.00 N ATOM 604 CA GLY A 45 9.783 -7.594 -3.532 1.00 0.00 C ATOM 605 C GLY A 45 10.162 -6.339 -2.772 1.00 0.00 C ATOM 606 O GLY A 45 10.751 -5.417 -3.336 1.00 0.00 O ATOM 0 H GLY A 45 9.088 -7.649 -5.508 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.380 -8.329 -2.835 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.678 -8.032 -3.973 1.00 0.00 H new ATOM 610 N VAL A 46 9.822 -6.302 -1.487 1.00 0.00 N ATOM 611 CA VAL A 46 10.091 -5.133 -0.658 1.00 0.00 C ATOM 612 C VAL A 46 10.470 -5.541 0.761 1.00 0.00 C ATOM 613 O VAL A 46 10.474 -6.725 1.096 1.00 0.00 O ATOM 614 CB VAL A 46 8.878 -4.185 -0.605 1.00 0.00 C ATOM 615 CG1 VAL A 46 8.633 -3.557 -1.969 1.00 0.00 C ATOM 616 CG2 VAL A 46 7.640 -4.932 -0.134 1.00 0.00 C ATOM 0 H VAL A 46 9.360 -7.068 -0.998 1.00 0.00 H new ATOM 0 HA VAL A 46 10.928 -4.608 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 46 9.093 -3.389 0.108 1.00 0.00 H new ATOM 0 HG11 VAL A 46 7.772 -2.890 -1.913 1.00 0.00 H new ATOM 0 HG12 VAL A 46 9.513 -2.989 -2.272 1.00 0.00 H new ATOM 0 HG13 VAL A 46 8.438 -4.341 -2.701 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.792 -4.248 -0.102 1.00 0.00 H new ATOM 0 HG22 VAL A 46 7.423 -5.747 -0.824 1.00 0.00 H new ATOM 0 HG23 VAL A 46 7.817 -5.337 0.862 1.00 0.00 H new ATOM 626 N SER A 47 10.784 -4.552 1.591 1.00 0.00 N ATOM 627 CA SER A 47 11.155 -4.808 2.978 1.00 0.00 C ATOM 628 C SER A 47 10.017 -5.493 3.728 1.00 0.00 C ATOM 629 O SER A 47 8.932 -5.696 3.182 1.00 0.00 O ATOM 630 CB SER A 47 11.539 -3.511 3.665 1.00 0.00 C ATOM 631 OG SER A 47 10.443 -2.650 3.813 1.00 0.00 O ATOM 0 H SER A 47 10.789 -3.567 1.328 1.00 0.00 H new ATOM 0 HA SER A 47 12.015 -5.477 2.986 1.00 0.00 H new ATOM 0 HB2 SER A 47 11.962 -3.731 4.645 1.00 0.00 H new ATOM 0 HB3 SER A 47 12.317 -3.011 3.088 1.00 0.00 H new ATOM 0 HG SER A 47 10.604 -2.042 4.565 1.00 0.00 H new ATOM 637 N ASP A 48 10.272 -5.848 4.983 1.00 0.00 N ATOM 638 CA ASP A 48 9.357 -6.694 5.739 1.00 0.00 C ATOM 639 C ASP A 48 7.936 -6.142 5.685 1.00 0.00 C ATOM 640 O ASP A 48 7.730 -4.928 5.703 1.00 0.00 O ATOM 641 CB ASP A 48 9.820 -6.821 7.193 1.00 0.00 C ATOM 642 CG ASP A 48 9.062 -7.862 8.006 1.00 0.00 C ATOM 643 OD1 ASP A 48 7.897 -7.658 8.258 1.00 0.00 O ATOM 644 OD2 ASP A 48 9.603 -8.918 8.233 1.00 0.00 O ATOM 0 H ASP A 48 11.105 -5.563 5.498 1.00 0.00 H new ATOM 0 HA ASP A 48 9.359 -7.684 5.283 1.00 0.00 H new ATOM 0 HB2 ASP A 48 10.881 -7.072 7.203 1.00 0.00 H new ATOM 0 HB3 ASP A 48 9.717 -5.851 7.680 1.00 0.00 H new ATOM 649 N ALA A 49 6.959 -7.040 5.615 1.00 0.00 N ATOM 650 CA ALA A 49 5.564 -6.641 5.479 1.00 0.00 C ATOM 651 C ALA A 49 5.160 -5.666 6.579 1.00 0.00 C ATOM 652 O ALA A 49 4.326 -4.786 6.365 1.00 0.00 O ATOM 653 CB ALA A 49 4.662 -7.866 5.498 1.00 0.00 C ATOM 0 H ALA A 49 7.108 -8.048 5.650 1.00 0.00 H new ATOM 0 HA ALA A 49 5.449 -6.133 4.522 1.00 0.00 H new ATOM 0 HB1 ALA A 49 3.623 -7.554 5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.926 -8.525 4.671 1.00 0.00 H new ATOM 0 HB3 ALA A 49 4.790 -8.398 6.441 1.00 0.00 H new ATOM 659 N ALA A 50 5.755 -5.828 7.755 1.00 0.00 N ATOM 660 CA ALA A 50 5.484 -4.941 8.878 1.00 0.00 C ATOM 661 C ALA A 50 5.836 -3.497 8.534 1.00 0.00 C ATOM 662 O ALA A 50 5.106 -2.569 8.886 1.00 0.00 O ATOM 663 CB ALA A 50 6.256 -5.394 10.108 1.00 0.00 C ATOM 0 H ALA A 50 6.429 -6.567 7.955 1.00 0.00 H new ATOM 0 HA ALA A 50 4.417 -4.987 9.095 1.00 0.00 H new ATOM 0 HB1 ALA A 50 6.043 -4.722 10.939 1.00 0.00 H new ATOM 0 HB2 ALA A 50 5.954 -6.407 10.374 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.324 -5.379 9.893 1.00 0.00 H new ATOM 669 N HIS A 51 6.957 -3.313 7.846 1.00 0.00 N ATOM 670 CA HIS A 51 7.388 -1.985 7.426 1.00 0.00 C ATOM 671 C HIS A 51 6.426 -1.402 6.395 1.00 0.00 C ATOM 672 O HIS A 51 6.100 -0.216 6.438 1.00 0.00 O ATOM 673 CB HIS A 51 8.809 -2.030 6.852 1.00 0.00 C ATOM 674 CG HIS A 51 9.369 -0.681 6.526 1.00 0.00 C ATOM 675 ND1 HIS A 51 10.421 -0.504 5.651 1.00 0.00 N ATOM 676 CD2 HIS A 51 9.025 0.556 6.956 1.00 0.00 C ATOM 677 CE1 HIS A 51 10.699 0.785 5.557 1.00 0.00 C ATOM 678 NE2 HIS A 51 9.867 1.448 6.339 1.00 0.00 N ATOM 0 H HIS A 51 7.584 -4.067 7.567 1.00 0.00 H new ATOM 0 HA HIS A 51 7.387 -1.341 8.305 1.00 0.00 H new ATOM 0 HB2 HIS A 51 9.466 -2.523 7.569 1.00 0.00 H new ATOM 0 HB3 HIS A 51 8.808 -2.641 5.949 1.00 0.00 H new ATOM 0 HD2 HIS A 51 8.236 0.796 7.654 1.00 0.00 H new ATOM 0 HE1 HIS A 51 11.474 1.221 4.945 1.00 0.00 H new ATOM 0 HE2 HIS A 51 9.852 2.460 6.465 1.00 0.00 H new ATOM 685 N ILE A 52 5.977 -2.244 5.469 1.00 0.00 N ATOM 686 CA ILE A 52 5.055 -1.810 4.427 1.00 0.00 C ATOM 687 C ILE A 52 3.704 -1.422 5.016 1.00 0.00 C ATOM 688 O ILE A 52 3.076 -0.459 4.573 1.00 0.00 O ATOM 689 CB ILE A 52 4.847 -2.907 3.366 1.00 0.00 C ATOM 690 CG1 ILE A 52 6.181 -3.273 2.708 1.00 0.00 C ATOM 691 CG2 ILE A 52 3.840 -2.452 2.321 1.00 0.00 C ATOM 692 CD1 ILE A 52 6.863 -2.110 2.024 1.00 0.00 C ATOM 0 H ILE A 52 6.237 -3.229 5.420 1.00 0.00 H new ATOM 0 HA ILE A 52 5.504 -0.938 3.951 1.00 0.00 H new ATOM 0 HB ILE A 52 4.452 -3.796 3.858 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.850 -3.680 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.010 -4.063 1.977 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.705 -3.239 1.579 1.00 0.00 H new ATOM 0 HG22 ILE A 52 2.886 -2.240 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 52 4.207 -1.550 1.831 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.801 -2.447 1.582 1.00 0.00 H new ATOM 0 HD12 ILE A 52 6.214 -1.716 1.242 1.00 0.00 H new ATOM 0 HD13 ILE A 52 7.067 -1.327 2.754 1.00 0.00 H new ATOM 704 N ALA A 53 3.262 -2.173 6.018 1.00 0.00 N ATOM 705 CA ALA A 53 2.042 -1.840 6.744 1.00 0.00 C ATOM 706 C ALA A 53 2.202 -0.534 7.515 1.00 0.00 C ATOM 707 O ALA A 53 1.264 0.254 7.620 1.00 0.00 O ATOM 708 CB ALA A 53 1.666 -2.971 7.689 1.00 0.00 C ATOM 0 H ALA A 53 3.731 -3.017 6.347 1.00 0.00 H new ATOM 0 HA ALA A 53 1.240 -1.707 6.018 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.753 -2.709 8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.502 -3.884 7.117 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.473 -3.131 8.404 1.00 0.00 H new ATOM 714 N GLU A 54 3.398 -0.313 8.054 1.00 0.00 N ATOM 715 CA GLU A 54 3.712 0.943 8.724 1.00 0.00 C ATOM 716 C GLU A 54 3.642 2.114 7.749 1.00 0.00 C ATOM 717 O GLU A 54 3.219 3.213 8.110 1.00 0.00 O ATOM 718 CB GLU A 54 5.097 0.876 9.370 1.00 0.00 C ATOM 719 CG GLU A 54 5.486 2.121 10.156 1.00 0.00 C ATOM 720 CD GLU A 54 6.832 1.958 10.807 1.00 0.00 C ATOM 721 OE1 GLU A 54 7.418 0.912 10.662 1.00 0.00 O ATOM 722 OE2 GLU A 54 7.325 2.916 11.354 1.00 0.00 O ATOM 0 H GLU A 54 4.164 -0.987 8.039 1.00 0.00 H new ATOM 0 HA GLU A 54 2.968 1.102 9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 54 5.132 0.015 10.037 1.00 0.00 H new ATOM 0 HB3 GLU A 54 5.840 0.706 8.591 1.00 0.00 H new ATOM 0 HG2 GLU A 54 5.504 2.983 9.490 1.00 0.00 H new ATOM 0 HG3 GLU A 54 4.733 2.323 10.918 1.00 0.00 H new ATOM 729 N ILE A 55 4.060 1.871 6.510 1.00 0.00 N ATOM 730 CA ILE A 55 3.962 2.876 5.460 1.00 0.00 C ATOM 731 C ILE A 55 2.506 3.203 5.145 1.00 0.00 C ATOM 732 O ILE A 55 2.146 4.366 4.963 1.00 0.00 O ATOM 733 CB ILE A 55 4.667 2.415 4.171 1.00 0.00 C ATOM 734 CG1 ILE A 55 6.180 2.335 4.389 1.00 0.00 C ATOM 735 CG2 ILE A 55 4.341 3.357 3.021 1.00 0.00 C ATOM 736 CD1 ILE A 55 6.916 1.598 3.294 1.00 0.00 C ATOM 0 H ILE A 55 4.470 0.986 6.210 1.00 0.00 H new ATOM 0 HA ILE A 55 4.459 3.772 5.833 1.00 0.00 H new ATOM 0 HB ILE A 55 4.304 1.420 3.914 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.580 3.346 4.466 1.00 0.00 H new ATOM 0 HG13 ILE A 55 6.375 1.841 5.341 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.847 3.017 2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 55 3.264 3.366 2.852 1.00 0.00 H new ATOM 0 HG23 ILE A 55 4.678 4.364 3.269 1.00 0.00 H new ATOM 0 HD11 ILE A 55 7.982 1.583 3.519 1.00 0.00 H new ATOM 0 HD12 ILE A 55 6.544 0.575 3.230 1.00 0.00 H new ATOM 0 HD13 ILE A 55 6.753 2.103 2.342 1.00 0.00 H new ATOM 748 N ILE A 56 1.674 2.170 5.085 1.00 0.00 N ATOM 749 CA ILE A 56 0.240 2.354 4.899 1.00 0.00 C ATOM 750 C ILE A 56 -0.367 3.149 6.051 1.00 0.00 C ATOM 751 O ILE A 56 -1.230 4.002 5.845 1.00 0.00 O ATOM 752 CB ILE A 56 -0.492 1.006 4.775 1.00 0.00 C ATOM 753 CG1 ILE A 56 -0.065 0.282 3.495 1.00 0.00 C ATOM 754 CG2 ILE A 56 -1.999 1.215 4.793 1.00 0.00 C ATOM 755 CD1 ILE A 56 -0.509 -1.161 3.433 1.00 0.00 C ATOM 0 H ILE A 56 1.968 1.196 5.162 1.00 0.00 H new ATOM 0 HA ILE A 56 0.112 2.911 3.971 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.221 0.385 5.629 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.471 0.815 2.635 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.021 0.322 3.411 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.501 0.252 4.704 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -2.289 1.691 5.730 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.288 1.853 3.958 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.169 -1.606 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.082 -1.710 4.272 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.597 -1.210 3.484 1.00 0.00 H new ATOM 767 N THR A 57 0.094 2.865 7.265 1.00 0.00 N ATOM 768 CA THR A 57 -0.266 3.668 8.427 1.00 0.00 C ATOM 769 C THR A 57 0.250 5.096 8.290 1.00 0.00 C ATOM 770 O THR A 57 -0.417 6.048 8.690 1.00 0.00 O ATOM 771 CB THR A 57 0.282 3.056 9.729 1.00 0.00 C ATOM 772 OG1 THR A 57 -0.295 1.761 9.932 1.00 0.00 O ATOM 773 CG2 THR A 57 -0.050 3.947 10.918 1.00 0.00 C ATOM 0 H THR A 57 0.718 2.084 7.469 1.00 0.00 H new ATOM 0 HA THR A 57 -1.355 3.682 8.475 1.00 0.00 H new ATOM 0 HB THR A 57 1.365 2.969 9.644 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.066 1.135 9.271 1.00 0.00 H new ATOM 0 HG21 THR A 57 0.345 3.499 11.830 1.00 0.00 H new ATOM 0 HG22 THR A 57 0.399 4.930 10.773 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.132 4.051 11.004 1.00 0.00 H new ATOM 781 N ALA A 58 1.442 5.236 7.720 1.00 0.00 N ATOM 782 CA ALA A 58 2.004 6.551 7.436 1.00 0.00 C ATOM 783 C ALA A 58 1.151 7.304 6.420 1.00 0.00 C ATOM 784 O ALA A 58 1.124 8.534 6.408 1.00 0.00 O ATOM 785 CB ALA A 58 3.433 6.418 6.932 1.00 0.00 C ATOM 0 H ALA A 58 2.038 4.455 7.446 1.00 0.00 H new ATOM 0 HA ALA A 58 2.010 7.124 8.363 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.839 7.408 6.724 1.00 0.00 H new ATOM 0 HB2 ALA A 58 4.042 5.928 7.691 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.443 5.823 6.019 1.00 0.00 H new ATOM 791 N ALA A 59 0.455 6.557 5.569 1.00 0.00 N ATOM 792 CA ALA A 59 -0.477 7.149 4.619 1.00 0.00 C ATOM 793 C ALA A 59 -1.821 7.442 5.277 1.00 0.00 C ATOM 794 O ALA A 59 -2.697 8.060 4.675 1.00 0.00 O ATOM 795 CB ALA A 59 -0.665 6.231 3.420 1.00 0.00 C ATOM 0 H ALA A 59 0.520 5.540 5.519 1.00 0.00 H new ATOM 0 HA ALA A 59 -0.055 8.094 4.277 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -1.364 6.687 2.719 1.00 0.00 H new ATOM 0 HB2 ALA A 59 0.294 6.076 2.927 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -1.060 5.272 3.755 1.00 0.00 H new ATOM 801 N GLY A 60 -1.976 6.995 6.520 1.00 0.00 N ATOM 802 CA GLY A 60 -3.145 7.357 7.300 1.00 0.00 C ATOM 803 C GLY A 60 -4.261 6.339 7.181 1.00 0.00 C ATOM 804 O GLY A 60 -5.411 6.626 7.514 1.00 0.00 O ATOM 0 H GLY A 60 -1.312 6.388 7.001 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -2.861 7.459 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -3.509 8.331 6.972 1.00 0.00 H new ATOM 808 N TYR A 61 -3.924 5.147 6.701 1.00 0.00 N ATOM 809 CA TYR A 61 -4.913 4.093 6.507 1.00 0.00 C ATOM 810 C TYR A 61 -4.525 2.834 7.276 1.00 0.00 C ATOM 811 O TYR A 61 -3.349 2.602 7.558 1.00 0.00 O ATOM 812 CB TYR A 61 -5.074 3.775 5.019 1.00 0.00 C ATOM 813 CG TYR A 61 -5.520 4.955 4.184 1.00 0.00 C ATOM 814 CD1 TYR A 61 -6.868 5.223 3.997 1.00 0.00 C ATOM 815 CD2 TYR A 61 -4.595 5.796 3.584 1.00 0.00 C ATOM 816 CE1 TYR A 61 -7.283 6.298 3.236 1.00 0.00 C ATOM 817 CE2 TYR A 61 -4.997 6.875 2.821 1.00 0.00 C ATOM 818 CZ TYR A 61 -6.344 7.123 2.649 1.00 0.00 C ATOM 819 OH TYR A 61 -6.751 8.195 1.889 1.00 0.00 O ATOM 0 H TYR A 61 -2.973 4.886 6.439 1.00 0.00 H new ATOM 0 HA TYR A 61 -5.867 4.451 6.894 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -4.124 3.407 4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -5.798 2.968 4.906 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -7.606 4.580 4.454 1.00 0.00 H new ATOM 0 HD2 TYR A 61 -3.540 5.604 3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -8.337 6.493 3.101 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -4.262 7.520 2.362 1.00 0.00 H new ATOM 0 HH TYR A 61 -7.634 8.009 1.507 1.00 0.00 H new ATOM 829 N THR A 62 -5.522 2.022 7.610 1.00 0.00 N ATOM 830 CA THR A 62 -5.299 0.828 8.416 1.00 0.00 C ATOM 831 C THR A 62 -5.009 -0.383 7.537 1.00 0.00 C ATOM 832 O THR A 62 -5.888 -0.911 6.857 1.00 0.00 O ATOM 833 CB THR A 62 -6.509 0.520 9.316 1.00 0.00 C ATOM 834 OG1 THR A 62 -6.743 1.621 10.202 1.00 0.00 O ATOM 835 CG2 THR A 62 -6.261 -0.739 10.132 1.00 0.00 C ATOM 0 H THR A 62 -6.493 2.169 7.335 1.00 0.00 H new ATOM 0 HA THR A 62 -4.433 1.031 9.046 1.00 0.00 H new ATOM 0 HB THR A 62 -7.382 0.364 8.682 1.00 0.00 H new ATOM 0 HG1 THR A 62 -7.178 2.349 9.711 1.00 0.00 H new ATOM 0 HG21 THR A 62 -7.127 -0.941 10.762 1.00 0.00 H new ATOM 0 HG22 THR A 62 -6.097 -1.582 9.460 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.381 -0.598 10.759 1.00 0.00 H new ATOM 843 N PRO A 63 -3.746 -0.835 7.549 1.00 0.00 N ATOM 844 CA PRO A 63 -3.304 -1.968 6.731 1.00 0.00 C ATOM 845 C PRO A 63 -3.653 -3.311 7.364 1.00 0.00 C ATOM 846 O PRO A 63 -3.650 -4.342 6.692 1.00 0.00 O ATOM 847 CB PRO A 63 -1.785 -1.788 6.667 1.00 0.00 C ATOM 848 CG PRO A 63 -1.428 -1.116 7.948 1.00 0.00 C ATOM 849 CD PRO A 63 -2.584 -0.212 8.276 1.00 0.00 C ATOM 0 HA PRO A 63 -3.788 -1.979 5.754 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.277 -2.747 6.568 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.494 -1.183 5.808 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -1.267 -1.847 8.741 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.504 -0.547 7.846 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -2.763 -0.165 9.350 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.402 0.808 7.939 1.00 0.00 H new ATOM 857 N GLU A 64 -3.954 -3.290 8.658 1.00 0.00 N ATOM 858 CA GLU A 64 -4.276 -4.513 9.387 1.00 0.00 C ATOM 859 C GLU A 64 -4.818 -4.190 10.776 1.00 0.00 C ATOM 860 O GLU A 64 -4.586 -3.106 11.307 1.00 0.00 O ATOM 861 CB GLU A 64 -3.044 -5.413 9.494 1.00 0.00 C ATOM 862 CG GLU A 64 -3.298 -6.744 10.187 1.00 0.00 C ATOM 863 CD GLU A 64 -2.050 -7.583 10.232 1.00 0.00 C ATOM 864 OE1 GLU A 64 -1.058 -7.169 9.682 1.00 0.00 O ATOM 865 OE2 GLU A 64 -2.056 -8.583 10.911 1.00 0.00 O ATOM 866 OXT GLU A 64 -5.480 -5.001 11.364 1.00 0.00 O ATOM 0 H GLU A 64 -3.982 -2.442 9.223 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.049 -5.045 8.832 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -2.661 -5.606 8.492 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -2.264 -4.878 10.035 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -3.656 -6.566 11.201 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -4.084 -7.286 9.662 1.00 0.00 H new TER 873 GLU A 64