USER MOD reduce.3.24.130724 H: found=0, std=0, add=597, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 596 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 17 THR OG1 : rot 180:sc= -0.0181 USER MOD Set 1.2: A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 ALA N :NH3+ -155:sc= 0 (180deg=-0.376) USER MOD Single : A 5 LYS NZ :NH3+ -161:sc= -0.197 (180deg=-0.571) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0776 USER MOD Single : A 12 SER OG : rot -59:sc= 0.905 USER MOD Single : A 20 THR OG1 : rot -5:sc= 1.12 USER MOD Single : A 22 HIS : no HD1:sc= -10.6! C(o=-11!,f=-15!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 173:sc= -0.162 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN :FLIP amide:sc=-0.00875 F(o=-1.2,f=-0.0087) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 85:sc= 0.00331 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -11.840 8.964 0.671 1.00 0.00 N ATOM 2 CA ALA A 1 -10.923 9.834 -0.119 1.00 0.00 C ATOM 3 C ALA A 1 -9.511 9.747 0.463 1.00 0.00 C ATOM 4 O ALA A 1 -9.170 10.444 1.398 1.00 0.00 O ATOM 5 CB ALA A 1 -11.413 11.282 -0.055 1.00 0.00 C ATOM 0 H1 ALA A 1 -12.646 8.680 0.078 1.00 0.00 H new ATOM 0 H2 ALA A 1 -11.327 8.116 0.987 1.00 0.00 H new ATOM 0 H3 ALA A 1 -12.187 9.488 1.500 1.00 0.00 H new ATOM 0 HA ALA A 1 -10.909 9.501 -1.157 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -10.743 11.919 -0.632 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -12.419 11.344 -0.469 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -11.426 11.616 0.982 1.00 0.00 H new ATOM 13 N ILE A 2 -8.685 8.897 -0.083 1.00 0.00 N ATOM 14 CA ILE A 2 -7.296 8.766 0.439 1.00 0.00 C ATOM 15 C ILE A 2 -6.318 8.656 -0.732 1.00 0.00 C ATOM 16 O ILE A 2 -6.715 8.561 -1.877 1.00 0.00 O ATOM 17 CB ILE A 2 -7.193 7.512 1.308 1.00 0.00 C ATOM 18 CG1 ILE A 2 -7.521 6.280 0.462 1.00 0.00 C ATOM 19 CG2 ILE A 2 -8.185 7.610 2.468 1.00 0.00 C ATOM 20 CD1 ILE A 2 -6.526 5.162 0.780 1.00 0.00 C ATOM 0 H ILE A 2 -8.913 8.287 -0.868 1.00 0.00 H new ATOM 0 HA ILE A 2 -7.050 9.644 1.037 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.181 7.426 1.703 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -8.538 5.945 0.667 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -7.476 6.531 -0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -8.111 6.716 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.954 8.488 3.071 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -9.198 7.696 2.074 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -6.760 4.284 0.177 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -5.515 5.499 0.553 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -6.594 4.905 1.837 1.00 0.00 H new ATOM 32 N ASP A 3 -5.043 8.669 -0.456 1.00 0.00 N ATOM 33 CA ASP A 3 -4.042 8.565 -1.555 1.00 0.00 C ATOM 34 C ASP A 3 -3.167 7.331 -1.332 1.00 0.00 C ATOM 35 O ASP A 3 -2.737 7.053 -0.230 1.00 0.00 O ATOM 36 CB ASP A 3 -3.163 9.818 -1.565 1.00 0.00 C ATOM 37 CG ASP A 3 -2.236 9.780 -2.781 1.00 0.00 C ATOM 38 OD1 ASP A 3 -1.683 8.726 -3.047 1.00 0.00 O ATOM 39 OD2 ASP A 3 -2.094 10.807 -3.425 1.00 0.00 O ATOM 0 H ASP A 3 -4.651 8.747 0.482 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.559 8.476 -2.510 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -3.786 10.712 -1.597 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -2.576 9.871 -0.648 1.00 0.00 H new ATOM 44 N ILE A 4 -2.899 6.586 -2.370 1.00 0.00 N ATOM 45 CA ILE A 4 -2.052 5.370 -2.217 1.00 0.00 C ATOM 46 C ILE A 4 -0.703 5.598 -2.903 1.00 0.00 C ATOM 47 O ILE A 4 -0.632 5.819 -4.095 1.00 0.00 O ATOM 48 CB ILE A 4 -2.756 4.174 -2.860 1.00 0.00 C ATOM 49 CG1 ILE A 4 -4.080 3.915 -2.138 1.00 0.00 C ATOM 50 CG2 ILE A 4 -1.865 2.935 -2.748 1.00 0.00 C ATOM 51 CD1 ILE A 4 -4.986 3.059 -3.026 1.00 0.00 C ATOM 0 H ILE A 4 -3.230 6.767 -3.317 1.00 0.00 H new ATOM 0 HA ILE A 4 -1.891 5.170 -1.158 1.00 0.00 H new ATOM 0 HB ILE A 4 -2.949 4.389 -3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -3.897 3.408 -1.191 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -4.570 4.860 -1.904 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -2.367 2.083 -3.206 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -0.921 3.118 -3.261 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -1.672 2.720 -1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -5.929 2.874 -2.512 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.179 3.584 -3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -4.496 2.109 -3.237 1.00 0.00 H new ATOM 63 N LYS A 5 0.368 5.546 -2.158 1.00 0.00 N ATOM 64 CA LYS A 5 1.710 5.760 -2.770 1.00 0.00 C ATOM 65 C LYS A 5 2.681 4.699 -2.250 1.00 0.00 C ATOM 66 O LYS A 5 2.488 4.129 -1.194 1.00 0.00 O ATOM 67 CB LYS A 5 2.225 7.151 -2.394 1.00 0.00 C ATOM 68 CG LYS A 5 2.608 7.171 -0.912 1.00 0.00 C ATOM 69 CD LYS A 5 2.374 8.572 -0.343 1.00 0.00 C ATOM 70 CE LYS A 5 0.887 8.759 -0.040 1.00 0.00 C ATOM 71 NZ LYS A 5 0.344 9.868 -0.874 1.00 0.00 N ATOM 0 H LYS A 5 0.372 5.365 -1.154 1.00 0.00 H new ATOM 0 HA LYS A 5 1.633 5.682 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.089 7.409 -3.007 1.00 0.00 H new ATOM 0 HB3 LYS A 5 1.458 7.900 -2.592 1.00 0.00 H new ATOM 0 HG2 LYS A 5 2.015 6.440 -0.362 1.00 0.00 H new ATOM 0 HG3 LYS A 5 3.654 6.888 -0.792 1.00 0.00 H new ATOM 0 HD2 LYS A 5 2.961 8.710 0.565 1.00 0.00 H new ATOM 0 HD3 LYS A 5 2.708 9.326 -1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 5 0.345 7.836 -0.246 1.00 0.00 H new ATOM 0 HE3 LYS A 5 0.746 8.983 1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -0.546 10.211 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.033 10.647 -0.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.166 9.522 -1.838 1.00 0.00 H new ATOM 85 N ALA A 6 3.727 4.429 -2.983 1.00 0.00 N ATOM 86 CA ALA A 6 4.709 3.404 -2.531 1.00 0.00 C ATOM 87 C ALA A 6 5.277 3.808 -1.166 1.00 0.00 C ATOM 88 O ALA A 6 5.152 4.946 -0.757 1.00 0.00 O ATOM 89 CB ALA A 6 5.849 3.306 -3.546 1.00 0.00 C ATOM 0 H ALA A 6 3.943 4.874 -3.875 1.00 0.00 H new ATOM 0 HA ALA A 6 4.212 2.438 -2.448 1.00 0.00 H new ATOM 0 HB1 ALA A 6 6.567 2.556 -3.215 1.00 0.00 H new ATOM 0 HB2 ALA A 6 5.447 3.020 -4.518 1.00 0.00 H new ATOM 0 HB3 ALA A 6 6.346 4.273 -3.629 1.00 0.00 H new ATOM 95 N PRO A 7 5.884 2.858 -0.502 1.00 0.00 N ATOM 96 CA PRO A 7 6.485 3.076 0.825 1.00 0.00 C ATOM 97 C PRO A 7 7.833 3.791 0.690 1.00 0.00 C ATOM 98 O PRO A 7 8.290 4.073 -0.400 1.00 0.00 O ATOM 99 CB PRO A 7 6.672 1.657 1.371 1.00 0.00 C ATOM 100 CG PRO A 7 6.706 0.718 0.142 1.00 0.00 C ATOM 101 CD PRO A 7 6.028 1.478 -1.013 1.00 0.00 C ATOM 0 HA PRO A 7 5.874 3.701 1.476 1.00 0.00 H new ATOM 0 HB2 PRO A 7 7.596 1.580 1.944 1.00 0.00 H new ATOM 0 HB3 PRO A 7 5.857 1.389 2.043 1.00 0.00 H new ATOM 0 HG2 PRO A 7 7.732 0.456 -0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 7 6.182 -0.214 0.352 1.00 0.00 H new ATOM 0 HD2 PRO A 7 6.634 1.450 -1.919 1.00 0.00 H new ATOM 0 HD3 PRO A 7 5.061 1.043 -1.263 1.00 0.00 H new ATOM 109 N THR A 8 8.471 4.087 1.789 1.00 0.00 N ATOM 110 CA THR A 8 9.786 4.783 1.722 1.00 0.00 C ATOM 111 C THR A 8 10.872 3.785 1.319 1.00 0.00 C ATOM 112 O THR A 8 10.620 2.606 1.169 1.00 0.00 O ATOM 113 CB THR A 8 10.121 5.375 3.093 1.00 0.00 C ATOM 114 OG1 THR A 8 8.994 5.248 3.949 1.00 0.00 O ATOM 115 CG2 THR A 8 10.482 6.854 2.940 1.00 0.00 C ATOM 0 H THR A 8 8.138 3.877 2.730 1.00 0.00 H new ATOM 0 HA THR A 8 9.736 5.583 0.983 1.00 0.00 H new ATOM 0 HB THR A 8 10.968 4.840 3.522 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.207 5.625 4.828 1.00 0.00 H new ATOM 0 HG21 THR A 8 10.720 7.273 3.917 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.346 6.951 2.283 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.637 7.392 2.510 1.00 0.00 H new ATOM 123 N PHE A 9 12.080 4.246 1.143 1.00 0.00 N ATOM 124 CA PHE A 9 13.181 3.323 0.750 1.00 0.00 C ATOM 125 C PHE A 9 14.450 3.680 1.532 1.00 0.00 C ATOM 126 O PHE A 9 15.390 4.208 0.973 1.00 0.00 O ATOM 127 CB PHE A 9 13.452 3.459 -0.749 1.00 0.00 C ATOM 128 CG PHE A 9 12.265 2.939 -1.525 1.00 0.00 C ATOM 129 CD1 PHE A 9 11.678 1.717 -1.172 1.00 0.00 C ATOM 130 CD2 PHE A 9 11.750 3.679 -2.598 1.00 0.00 C ATOM 131 CE1 PHE A 9 10.576 1.234 -1.891 1.00 0.00 C ATOM 132 CE2 PHE A 9 10.649 3.197 -3.317 1.00 0.00 C ATOM 133 CZ PHE A 9 10.062 1.974 -2.964 1.00 0.00 C ATOM 0 H PHE A 9 12.352 5.223 1.255 1.00 0.00 H new ATOM 0 HA PHE A 9 12.891 2.297 0.975 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.637 4.503 -1.003 1.00 0.00 H new ATOM 0 HB3 PHE A 9 14.349 2.902 -1.019 1.00 0.00 H new ATOM 0 HD1 PHE A 9 12.075 1.147 -0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 9 12.202 4.621 -2.870 1.00 0.00 H new ATOM 0 HE1 PHE A 9 10.123 0.292 -1.618 1.00 0.00 H new ATOM 0 HE2 PHE A 9 10.252 3.768 -4.144 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.214 1.602 -3.519 1.00 0.00 H new ATOM 143 N PRO A 10 14.435 3.377 2.805 1.00 0.00 N ATOM 144 CA PRO A 10 15.571 3.652 3.700 1.00 0.00 C ATOM 145 C PRO A 10 16.674 2.607 3.501 1.00 0.00 C ATOM 146 O PRO A 10 17.705 2.649 4.142 1.00 0.00 O ATOM 147 CB PRO A 10 14.960 3.543 5.099 1.00 0.00 C ATOM 148 CG PRO A 10 13.688 2.675 4.954 1.00 0.00 C ATOM 149 CD PRO A 10 13.282 2.733 3.469 1.00 0.00 C ATOM 0 HA PRO A 10 16.036 4.621 3.518 1.00 0.00 H new ATOM 0 HB2 PRO A 10 15.664 3.087 5.796 1.00 0.00 H new ATOM 0 HB3 PRO A 10 14.714 4.529 5.493 1.00 0.00 H new ATOM 0 HG2 PRO A 10 13.883 1.648 5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 10 12.887 3.052 5.590 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.096 1.737 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.368 3.309 3.328 1.00 0.00 H new ATOM 157 N GLU A 11 16.461 1.672 2.618 1.00 0.00 N ATOM 158 CA GLU A 11 17.495 0.626 2.376 1.00 0.00 C ATOM 159 C GLU A 11 18.514 1.143 1.357 1.00 0.00 C ATOM 160 O GLU A 11 18.881 0.450 0.429 1.00 0.00 O ATOM 161 CB GLU A 11 16.825 -0.637 1.831 1.00 0.00 C ATOM 162 CG GLU A 11 15.722 -1.084 2.792 1.00 0.00 C ATOM 163 CD GLU A 11 16.323 -1.347 4.174 1.00 0.00 C ATOM 164 OE1 GLU A 11 16.541 -0.387 4.895 1.00 0.00 O ATOM 165 OE2 GLU A 11 16.555 -2.503 4.489 1.00 0.00 O ATOM 0 H GLU A 11 15.616 1.586 2.053 1.00 0.00 H new ATOM 0 HA GLU A 11 18.003 0.393 3.312 1.00 0.00 H new ATOM 0 HB2 GLU A 11 16.405 -0.442 0.844 1.00 0.00 H new ATOM 0 HB3 GLU A 11 17.563 -1.431 1.713 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.951 -0.316 2.859 1.00 0.00 H new ATOM 0 HG3 GLU A 11 15.241 -1.987 2.415 1.00 0.00 H new ATOM 172 N SER A 12 18.979 2.352 1.533 1.00 0.00 N ATOM 173 CA SER A 12 19.978 2.923 0.588 1.00 0.00 C ATOM 174 C SER A 12 19.636 2.514 -0.847 1.00 0.00 C ATOM 175 O SER A 12 20.506 2.216 -1.642 1.00 0.00 O ATOM 176 CB SER A 12 21.360 2.400 0.963 1.00 0.00 C ATOM 177 OG SER A 12 22.248 2.578 -0.134 1.00 0.00 O ATOM 0 H SER A 12 18.706 2.971 2.297 1.00 0.00 H new ATOM 0 HA SER A 12 19.965 4.011 0.650 1.00 0.00 H new ATOM 0 HB2 SER A 12 21.736 2.930 1.838 1.00 0.00 H new ATOM 0 HB3 SER A 12 21.301 1.345 1.230 1.00 0.00 H new ATOM 0 HG SER A 12 21.907 2.091 -0.913 1.00 0.00 H new ATOM 183 N ILE A 13 18.376 2.500 -1.185 1.00 0.00 N ATOM 184 CA ILE A 13 17.980 2.112 -2.568 1.00 0.00 C ATOM 185 C ILE A 13 17.727 3.373 -3.396 1.00 0.00 C ATOM 186 O ILE A 13 17.435 4.427 -2.866 1.00 0.00 O ATOM 187 CB ILE A 13 16.701 1.273 -2.515 1.00 0.00 C ATOM 188 CG1 ILE A 13 16.812 0.249 -1.383 1.00 0.00 C ATOM 189 CG2 ILE A 13 16.514 0.541 -3.846 1.00 0.00 C ATOM 190 CD1 ILE A 13 17.964 -0.713 -1.674 1.00 0.00 C ATOM 0 H ILE A 13 17.604 2.740 -0.563 1.00 0.00 H new ATOM 0 HA ILE A 13 18.779 1.529 -3.026 1.00 0.00 H new ATOM 0 HB ILE A 13 15.846 1.925 -2.336 1.00 0.00 H new ATOM 0 HG12 ILE A 13 16.980 0.758 -0.434 1.00 0.00 H new ATOM 0 HG13 ILE A 13 15.878 -0.305 -1.287 1.00 0.00 H new ATOM 0 HG21 ILE A 13 15.603 -0.056 -3.808 1.00 0.00 H new ATOM 0 HG22 ILE A 13 16.437 1.269 -4.654 1.00 0.00 H new ATOM 0 HG23 ILE A 13 17.368 -0.111 -4.026 1.00 0.00 H new ATOM 0 HD11 ILE A 13 18.042 -1.442 -0.867 1.00 0.00 H new ATOM 0 HD12 ILE A 13 17.776 -1.231 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 13 18.896 -0.153 -1.748 1.00 0.00 H new ATOM 202 N ALA A 14 17.836 3.276 -4.693 1.00 0.00 N ATOM 203 CA ALA A 14 17.601 4.470 -5.552 1.00 0.00 C ATOM 204 C ALA A 14 16.144 4.491 -6.020 1.00 0.00 C ATOM 205 O ALA A 14 15.716 5.396 -6.707 1.00 0.00 O ATOM 206 CB ALA A 14 18.527 4.414 -6.769 1.00 0.00 C ATOM 0 H ALA A 14 18.078 2.421 -5.194 1.00 0.00 H new ATOM 0 HA ALA A 14 17.808 5.373 -4.978 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.355 5.288 -7.398 1.00 0.00 H new ATOM 0 HB2 ALA A 14 19.565 4.405 -6.436 1.00 0.00 H new ATOM 0 HB3 ALA A 14 18.322 3.509 -7.341 1.00 0.00 H new ATOM 212 N ASP A 15 15.378 3.499 -5.653 1.00 0.00 N ATOM 213 CA ASP A 15 13.949 3.464 -6.077 1.00 0.00 C ATOM 214 C ASP A 15 13.393 2.052 -5.878 1.00 0.00 C ATOM 215 O ASP A 15 14.017 1.208 -5.269 1.00 0.00 O ATOM 216 CB ASP A 15 13.846 3.848 -7.554 1.00 0.00 C ATOM 217 CG ASP A 15 15.050 3.289 -8.314 1.00 0.00 C ATOM 218 OD1 ASP A 15 15.601 2.298 -7.865 1.00 0.00 O ATOM 219 OD2 ASP A 15 15.400 3.862 -9.333 1.00 0.00 O ATOM 0 H ASP A 15 15.680 2.712 -5.078 1.00 0.00 H new ATOM 0 HA ASP A 15 13.374 4.170 -5.477 1.00 0.00 H new ATOM 0 HB2 ASP A 15 12.921 3.457 -7.978 1.00 0.00 H new ATOM 0 HB3 ASP A 15 13.810 4.933 -7.657 1.00 0.00 H new ATOM 224 N GLY A 16 12.221 1.791 -6.390 1.00 0.00 N ATOM 225 CA GLY A 16 11.624 0.435 -6.232 1.00 0.00 C ATOM 226 C GLY A 16 10.999 -0.007 -7.556 1.00 0.00 C ATOM 227 O GLY A 16 11.194 0.612 -8.583 1.00 0.00 O ATOM 0 H GLY A 16 11.652 2.458 -6.911 1.00 0.00 H new ATOM 0 HA2 GLY A 16 12.390 -0.277 -5.924 1.00 0.00 H new ATOM 0 HA3 GLY A 16 10.867 0.449 -5.448 1.00 0.00 H new ATOM 231 N THR A 17 10.248 -1.074 -7.542 1.00 0.00 N ATOM 232 CA THR A 17 9.612 -1.555 -8.801 1.00 0.00 C ATOM 233 C THR A 17 8.294 -2.258 -8.472 1.00 0.00 C ATOM 234 O THR A 17 8.256 -3.201 -7.706 1.00 0.00 O ATOM 235 CB THR A 17 10.552 -2.537 -9.504 1.00 0.00 C ATOM 236 OG1 THR A 17 11.757 -1.871 -9.850 1.00 0.00 O ATOM 237 CG2 THR A 17 9.880 -3.072 -10.770 1.00 0.00 C ATOM 0 H THR A 17 10.047 -1.634 -6.713 1.00 0.00 H new ATOM 0 HA THR A 17 9.416 -0.706 -9.456 1.00 0.00 H new ATOM 0 HB THR A 17 10.776 -3.368 -8.836 1.00 0.00 H new ATOM 0 HG1 THR A 17 12.361 -2.499 -10.299 1.00 0.00 H new ATOM 0 HG21 THR A 17 10.550 -3.771 -11.270 1.00 0.00 H new ATOM 0 HG22 THR A 17 8.955 -3.584 -10.503 1.00 0.00 H new ATOM 0 HG23 THR A 17 9.655 -2.243 -11.441 1.00 0.00 H new ATOM 245 N VAL A 18 7.211 -1.807 -9.044 1.00 0.00 N ATOM 246 CA VAL A 18 5.897 -2.451 -8.764 1.00 0.00 C ATOM 247 C VAL A 18 6.015 -3.962 -8.971 1.00 0.00 C ATOM 248 O VAL A 18 6.999 -4.452 -9.490 1.00 0.00 O ATOM 249 CB VAL A 18 4.839 -1.887 -9.714 1.00 0.00 C ATOM 250 CG1 VAL A 18 3.460 -2.415 -9.315 1.00 0.00 C ATOM 251 CG2 VAL A 18 4.843 -0.359 -9.629 1.00 0.00 C ATOM 0 H VAL A 18 7.180 -1.021 -9.693 1.00 0.00 H new ATOM 0 HA VAL A 18 5.605 -2.247 -7.734 1.00 0.00 H new ATOM 0 HB VAL A 18 5.065 -2.197 -10.734 1.00 0.00 H new ATOM 0 HG11 VAL A 18 2.706 -2.013 -9.992 1.00 0.00 H new ATOM 0 HG12 VAL A 18 3.456 -3.503 -9.373 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.233 -2.106 -8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 18 4.090 0.045 -10.305 1.00 0.00 H new ATOM 0 HG22 VAL A 18 4.617 -0.051 -8.608 1.00 0.00 H new ATOM 0 HG23 VAL A 18 5.825 0.019 -9.913 1.00 0.00 H new ATOM 261 N ALA A 19 5.021 -4.707 -8.569 1.00 0.00 N ATOM 262 CA ALA A 19 5.080 -6.185 -8.744 1.00 0.00 C ATOM 263 C ALA A 19 4.026 -6.624 -9.763 1.00 0.00 C ATOM 264 O ALA A 19 4.341 -6.978 -10.881 1.00 0.00 O ATOM 265 CB ALA A 19 4.807 -6.868 -7.402 1.00 0.00 C ATOM 0 H ALA A 19 4.171 -4.356 -8.127 1.00 0.00 H new ATOM 0 HA ALA A 19 6.070 -6.468 -9.103 1.00 0.00 H new ATOM 0 HB1 ALA A 19 4.850 -7.950 -7.529 1.00 0.00 H new ATOM 0 HB2 ALA A 19 5.559 -6.558 -6.676 1.00 0.00 H new ATOM 0 HB3 ALA A 19 3.818 -6.584 -7.044 1.00 0.00 H new ATOM 271 N THR A 20 2.777 -6.604 -9.386 1.00 0.00 N ATOM 272 CA THR A 20 1.707 -7.021 -10.336 1.00 0.00 C ATOM 273 C THR A 20 0.362 -6.456 -9.872 1.00 0.00 C ATOM 274 O THR A 20 0.037 -6.483 -8.702 1.00 0.00 O ATOM 275 CB THR A 20 1.631 -8.549 -10.378 1.00 0.00 C ATOM 276 OG1 THR A 20 2.766 -9.059 -11.064 1.00 0.00 O ATOM 277 CG2 THR A 20 0.356 -8.981 -11.105 1.00 0.00 C ATOM 0 H THR A 20 2.451 -6.317 -8.463 1.00 0.00 H new ATOM 0 HA THR A 20 1.936 -6.640 -11.331 1.00 0.00 H new ATOM 0 HB THR A 20 1.614 -8.939 -9.360 1.00 0.00 H new ATOM 0 HG1 THR A 20 3.294 -8.315 -11.421 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.304 -10.069 -11.133 1.00 0.00 H new ATOM 0 HG22 THR A 20 -0.514 -8.590 -10.577 1.00 0.00 H new ATOM 0 HG23 THR A 20 0.368 -8.592 -12.123 1.00 0.00 H new ATOM 285 N TRP A 21 -0.423 -5.947 -10.781 1.00 0.00 N ATOM 286 CA TRP A 21 -1.740 -5.382 -10.402 1.00 0.00 C ATOM 287 C TRP A 21 -2.805 -6.480 -10.467 1.00 0.00 C ATOM 288 O TRP A 21 -3.501 -6.625 -11.453 1.00 0.00 O ATOM 289 CB TRP A 21 -2.092 -4.268 -11.384 1.00 0.00 C ATOM 290 CG TRP A 21 -1.583 -2.963 -10.864 1.00 0.00 C ATOM 291 CD1 TRP A 21 -0.407 -2.390 -11.215 1.00 0.00 C ATOM 292 CD2 TRP A 21 -2.208 -2.057 -9.909 1.00 0.00 C ATOM 293 NE1 TRP A 21 -0.276 -1.193 -10.534 1.00 0.00 N ATOM 294 CE2 TRP A 21 -1.355 -0.946 -9.721 1.00 0.00 C ATOM 295 CE3 TRP A 21 -3.421 -2.091 -9.194 1.00 0.00 C ATOM 296 CZ2 TRP A 21 -1.686 0.093 -8.861 1.00 0.00 C ATOM 297 CZ3 TRP A 21 -3.761 -1.042 -8.321 1.00 0.00 C ATOM 298 CH2 TRP A 21 -2.894 0.049 -8.156 1.00 0.00 C ATOM 0 H TRP A 21 -0.203 -5.900 -11.776 1.00 0.00 H new ATOM 0 HA TRP A 21 -1.699 -4.985 -9.388 1.00 0.00 H new ATOM 0 HB2 TRP A 21 -1.654 -4.478 -12.360 1.00 0.00 H new ATOM 0 HB3 TRP A 21 -3.172 -4.219 -11.523 1.00 0.00 H new ATOM 0 HD1 TRP A 21 0.310 -2.800 -11.911 1.00 0.00 H new ATOM 0 HE1 TRP A 21 0.526 -0.569 -10.625 1.00 0.00 H new ATOM 0 HE3 TRP A 21 -4.094 -2.927 -9.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 -1.015 0.930 -8.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 -4.693 -1.076 -7.776 1.00 0.00 H new ATOM 0 HH2 TRP A 21 -3.159 0.854 -7.486 1.00 0.00 H new ATOM 309 N HIS A 22 -2.932 -7.256 -9.425 1.00 0.00 N ATOM 310 CA HIS A 22 -3.956 -8.354 -9.433 1.00 0.00 C ATOM 311 C HIS A 22 -5.261 -7.830 -10.033 1.00 0.00 C ATOM 312 O HIS A 22 -5.653 -8.212 -11.120 1.00 0.00 O ATOM 313 CB HIS A 22 -4.226 -8.850 -8.004 1.00 0.00 C ATOM 314 CG HIS A 22 -2.972 -8.742 -7.190 1.00 0.00 C ATOM 315 ND1 HIS A 22 -2.591 -7.554 -6.595 1.00 0.00 N ATOM 316 CD2 HIS A 22 -1.976 -9.642 -6.907 1.00 0.00 C ATOM 317 CE1 HIS A 22 -1.410 -7.761 -5.999 1.00 0.00 C ATOM 318 NE2 HIS A 22 -0.988 -9.019 -6.153 1.00 0.00 N ATOM 0 H HIS A 22 -2.378 -7.183 -8.572 1.00 0.00 H new ATOM 0 HA HIS A 22 -3.574 -9.181 -10.031 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -5.020 -8.260 -7.547 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -4.570 -9.884 -8.026 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -1.962 -10.675 -7.221 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -0.864 -7.002 -5.459 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -0.127 -9.433 -5.795 1.00 0.00 H new ATOM 326 N LYS A 23 -5.941 -6.962 -9.335 1.00 0.00 N ATOM 327 CA LYS A 23 -7.223 -6.418 -9.867 1.00 0.00 C ATOM 328 C LYS A 23 -6.975 -5.055 -10.513 1.00 0.00 C ATOM 329 O LYS A 23 -5.849 -4.630 -10.681 1.00 0.00 O ATOM 330 CB LYS A 23 -8.224 -6.264 -8.720 1.00 0.00 C ATOM 331 CG LYS A 23 -8.511 -7.635 -8.104 1.00 0.00 C ATOM 332 CD LYS A 23 -10.023 -7.828 -7.970 1.00 0.00 C ATOM 333 CE LYS A 23 -10.527 -8.719 -9.105 1.00 0.00 C ATOM 334 NZ LYS A 23 -11.508 -7.962 -9.933 1.00 0.00 N ATOM 0 H LYS A 23 -5.665 -6.606 -8.420 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.625 -7.103 -10.614 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.824 -5.590 -7.963 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -9.148 -5.818 -9.087 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.087 -8.422 -8.728 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.036 -7.713 -7.126 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.258 -8.280 -7.007 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -10.527 -6.862 -8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.691 -9.048 -9.722 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -10.994 -9.616 -8.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.851 -8.568 -10.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -12.311 -7.670 -9.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.048 -7.119 -10.333 1.00 0.00 H new ATOM 348 N LYS A 24 -8.020 -4.365 -10.879 1.00 0.00 N ATOM 349 CA LYS A 24 -7.850 -3.028 -11.517 1.00 0.00 C ATOM 350 C LYS A 24 -8.723 -2.002 -10.790 1.00 0.00 C ATOM 351 O LYS A 24 -9.538 -2.358 -9.963 1.00 0.00 O ATOM 352 CB LYS A 24 -8.275 -3.108 -12.985 1.00 0.00 C ATOM 353 CG LYS A 24 -7.038 -3.004 -13.881 1.00 0.00 C ATOM 354 CD LYS A 24 -7.431 -2.389 -15.225 1.00 0.00 C ATOM 355 CE LYS A 24 -6.170 -1.988 -15.992 1.00 0.00 C ATOM 356 NZ LYS A 24 -6.365 -0.641 -16.600 1.00 0.00 N ATOM 0 H LYS A 24 -8.987 -4.670 -10.764 1.00 0.00 H new ATOM 0 HA LYS A 24 -6.805 -2.725 -11.456 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -8.796 -4.047 -13.173 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -8.974 -2.304 -13.217 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -6.276 -2.392 -13.398 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -6.603 -3.992 -14.034 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -8.012 -3.104 -15.808 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -8.065 -1.517 -15.066 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -5.312 -1.975 -15.320 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -5.955 -2.722 -16.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -5.508 -0.368 -17.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -7.174 -0.669 -17.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -6.550 0.055 -15.850 1.00 0.00 H new ATOM 370 N PRO A 25 -8.525 -0.754 -11.129 1.00 0.00 N ATOM 371 CA PRO A 25 -9.282 0.362 -10.533 1.00 0.00 C ATOM 372 C PRO A 25 -10.698 0.416 -11.113 1.00 0.00 C ATOM 373 O PRO A 25 -10.889 0.399 -12.313 1.00 0.00 O ATOM 374 CB PRO A 25 -8.475 1.600 -10.934 1.00 0.00 C ATOM 375 CG PRO A 25 -7.648 1.194 -12.178 1.00 0.00 C ATOM 376 CD PRO A 25 -7.531 -0.341 -12.141 1.00 0.00 C ATOM 0 HA PRO A 25 -9.402 0.272 -9.453 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -9.135 2.437 -11.162 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -7.823 1.920 -10.121 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -8.137 1.524 -13.094 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -6.662 1.659 -12.158 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -7.747 -0.781 -13.115 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -6.525 -0.658 -11.864 1.00 0.00 H new ATOM 384 N GLY A 26 -11.692 0.481 -10.270 1.00 0.00 N ATOM 385 CA GLY A 26 -13.094 0.534 -10.772 1.00 0.00 C ATOM 386 C GLY A 26 -13.877 -0.655 -10.216 1.00 0.00 C ATOM 387 O GLY A 26 -15.088 -0.713 -10.309 1.00 0.00 O ATOM 0 H GLY A 26 -11.594 0.500 -9.255 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -13.566 1.468 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.103 0.512 -11.862 1.00 0.00 H new ATOM 391 N GLU A 27 -13.196 -1.606 -9.637 1.00 0.00 N ATOM 392 CA GLU A 27 -13.899 -2.792 -9.075 1.00 0.00 C ATOM 393 C GLU A 27 -14.141 -2.580 -7.579 1.00 0.00 C ATOM 394 O GLU A 27 -13.577 -1.692 -6.970 1.00 0.00 O ATOM 395 CB GLU A 27 -13.038 -4.041 -9.279 1.00 0.00 C ATOM 396 CG GLU A 27 -12.970 -4.376 -10.770 1.00 0.00 C ATOM 397 CD GLU A 27 -14.092 -5.354 -11.126 1.00 0.00 C ATOM 398 OE1 GLU A 27 -13.894 -6.543 -10.942 1.00 0.00 O ATOM 399 OE2 GLU A 27 -15.128 -4.896 -11.577 1.00 0.00 O ATOM 0 H GLU A 27 -12.182 -1.612 -9.529 1.00 0.00 H new ATOM 0 HA GLU A 27 -14.854 -2.922 -9.584 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -12.035 -3.872 -8.887 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -13.459 -4.880 -8.726 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -13.065 -3.466 -11.363 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -12.001 -4.814 -11.011 1.00 0.00 H new ATOM 406 N ALA A 28 -14.975 -3.386 -6.982 1.00 0.00 N ATOM 407 CA ALA A 28 -15.252 -3.227 -5.526 1.00 0.00 C ATOM 408 C ALA A 28 -14.134 -3.892 -4.720 1.00 0.00 C ATOM 409 O ALA A 28 -13.732 -5.005 -4.998 1.00 0.00 O ATOM 410 CB ALA A 28 -16.588 -3.889 -5.186 1.00 0.00 C ATOM 0 H ALA A 28 -15.477 -4.148 -7.439 1.00 0.00 H new ATOM 0 HA ALA A 28 -15.299 -2.167 -5.278 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -16.791 -3.773 -4.121 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -17.385 -3.417 -5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -16.542 -4.950 -5.433 1.00 0.00 H new ATOM 416 N VAL A 29 -13.625 -3.219 -3.723 1.00 0.00 N ATOM 417 CA VAL A 29 -12.535 -3.815 -2.902 1.00 0.00 C ATOM 418 C VAL A 29 -12.810 -3.554 -1.420 1.00 0.00 C ATOM 419 O VAL A 29 -13.180 -2.465 -1.029 1.00 0.00 O ATOM 420 CB VAL A 29 -11.199 -3.179 -3.291 1.00 0.00 C ATOM 421 CG1 VAL A 29 -10.946 -3.393 -4.785 1.00 0.00 C ATOM 422 CG2 VAL A 29 -11.242 -1.679 -2.992 1.00 0.00 C ATOM 0 H VAL A 29 -13.918 -2.283 -3.443 1.00 0.00 H new ATOM 0 HA VAL A 29 -12.493 -4.890 -3.080 1.00 0.00 H new ATOM 0 HB VAL A 29 -10.397 -3.642 -2.717 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.994 -2.940 -5.061 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -10.915 -4.461 -4.999 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -11.748 -2.931 -5.360 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.290 -1.225 -3.269 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -12.045 -1.216 -3.566 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -11.421 -1.525 -1.928 1.00 0.00 H new ATOM 432 N LYS A 30 -12.632 -4.547 -0.592 1.00 0.00 N ATOM 433 CA LYS A 30 -12.883 -4.357 0.864 1.00 0.00 C ATOM 434 C LYS A 30 -11.579 -4.568 1.636 1.00 0.00 C ATOM 435 O LYS A 30 -10.750 -5.374 1.263 1.00 0.00 O ATOM 436 CB LYS A 30 -13.926 -5.369 1.339 1.00 0.00 C ATOM 437 CG LYS A 30 -13.370 -6.786 1.188 1.00 0.00 C ATOM 438 CD LYS A 30 -14.324 -7.783 1.848 1.00 0.00 C ATOM 439 CE LYS A 30 -14.316 -9.095 1.061 1.00 0.00 C ATOM 440 NZ LYS A 30 -13.234 -9.979 1.580 1.00 0.00 N ATOM 0 H LYS A 30 -12.324 -5.481 -0.861 1.00 0.00 H new ATOM 0 HA LYS A 30 -13.252 -3.347 1.041 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -14.185 -5.178 2.380 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -14.842 -5.263 0.758 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -13.247 -7.029 0.133 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -12.384 -6.852 1.647 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -14.022 -7.964 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -15.333 -7.371 1.879 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -15.282 -9.592 1.152 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -14.160 -8.895 0.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.228 -10.871 1.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -12.315 -9.504 1.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.403 -10.180 2.586 1.00 0.00 H new ATOM 454 N ARG A 31 -11.389 -3.848 2.709 1.00 0.00 N ATOM 455 CA ARG A 31 -10.141 -4.004 3.503 1.00 0.00 C ATOM 456 C ARG A 31 -9.804 -5.490 3.644 1.00 0.00 C ATOM 457 O ARG A 31 -10.664 -6.343 3.548 1.00 0.00 O ATOM 458 CB ARG A 31 -10.339 -3.392 4.891 1.00 0.00 C ATOM 459 CG ARG A 31 -8.988 -3.285 5.601 1.00 0.00 C ATOM 460 CD ARG A 31 -9.196 -2.745 7.017 1.00 0.00 C ATOM 461 NE ARG A 31 -8.487 -3.620 7.992 1.00 0.00 N ATOM 462 CZ ARG A 31 -8.216 -3.179 9.189 1.00 0.00 C ATOM 463 NH1 ARG A 31 -8.786 -2.089 9.627 1.00 0.00 N ATOM 464 NH2 ARG A 31 -7.375 -3.826 9.950 1.00 0.00 N ATOM 0 H ARG A 31 -12.048 -3.157 3.069 1.00 0.00 H new ATOM 0 HA ARG A 31 -9.323 -3.494 2.994 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -10.794 -2.406 4.803 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -11.022 -4.007 5.477 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.508 -4.263 5.640 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -8.323 -2.625 5.043 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -8.819 -1.725 7.087 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -10.260 -2.709 7.251 1.00 0.00 H new ATOM 0 HE ARG A 31 -8.213 -4.565 7.723 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -9.443 -1.583 9.033 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -8.574 -1.744 10.563 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.929 -4.677 9.608 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -7.164 -3.480 10.886 1.00 0.00 H new ATOM 478 N ASP A 32 -8.558 -5.806 3.873 1.00 0.00 N ATOM 479 CA ASP A 32 -8.169 -7.237 4.021 1.00 0.00 C ATOM 480 C ASP A 32 -8.199 -7.918 2.650 1.00 0.00 C ATOM 481 O ASP A 32 -8.440 -9.103 2.541 1.00 0.00 O ATOM 482 CB ASP A 32 -9.151 -7.939 4.961 1.00 0.00 C ATOM 483 CG ASP A 32 -8.523 -9.236 5.477 1.00 0.00 C ATOM 484 OD1 ASP A 32 -7.378 -9.192 5.894 1.00 0.00 O ATOM 485 OD2 ASP A 32 -9.200 -10.251 5.448 1.00 0.00 O ATOM 0 H ASP A 32 -7.794 -5.136 3.964 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.163 -7.299 4.436 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.401 -7.286 5.797 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.081 -8.156 4.436 1.00 0.00 H new ATOM 490 N GLU A 33 -7.956 -7.177 1.604 1.00 0.00 N ATOM 491 CA GLU A 33 -7.972 -7.782 0.243 1.00 0.00 C ATOM 492 C GLU A 33 -6.794 -7.239 -0.570 1.00 0.00 C ATOM 493 O GLU A 33 -6.754 -6.076 -0.919 1.00 0.00 O ATOM 494 CB GLU A 33 -9.283 -7.425 -0.459 1.00 0.00 C ATOM 495 CG GLU A 33 -9.536 -8.412 -1.601 1.00 0.00 C ATOM 496 CD GLU A 33 -10.706 -7.917 -2.454 1.00 0.00 C ATOM 497 OE1 GLU A 33 -11.604 -7.307 -1.896 1.00 0.00 O ATOM 498 OE2 GLU A 33 -10.686 -8.157 -3.649 1.00 0.00 O ATOM 0 H GLU A 33 -7.747 -6.179 1.633 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.888 -8.866 0.326 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -10.109 -7.456 0.252 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -9.235 -6.408 -0.847 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.641 -8.511 -2.215 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -9.758 -9.401 -1.199 1.00 0.00 H new ATOM 505 N LEU A 34 -5.835 -8.072 -0.871 1.00 0.00 N ATOM 506 CA LEU A 34 -4.659 -7.606 -1.658 1.00 0.00 C ATOM 507 C LEU A 34 -5.131 -6.709 -2.803 1.00 0.00 C ATOM 508 O LEU A 34 -6.244 -6.822 -3.277 1.00 0.00 O ATOM 509 CB LEU A 34 -3.919 -8.817 -2.231 1.00 0.00 C ATOM 510 CG LEU A 34 -2.675 -8.343 -2.985 1.00 0.00 C ATOM 511 CD1 LEU A 34 -1.659 -7.777 -1.992 1.00 0.00 C ATOM 512 CD2 LEU A 34 -2.053 -9.525 -3.731 1.00 0.00 C ATOM 0 H LEU A 34 -5.816 -9.057 -0.605 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.989 -7.042 -1.009 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.634 -9.496 -1.428 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -4.574 -9.373 -2.901 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.956 -7.567 -3.698 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.773 -7.440 -2.530 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.102 -6.936 -1.458 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.377 -8.551 -1.279 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.166 -9.190 -4.269 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.773 -10.299 -3.017 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.776 -9.929 -4.439 1.00 0.00 H new ATOM 524 N ILE A 35 -4.293 -5.815 -3.253 1.00 0.00 N ATOM 525 CA ILE A 35 -4.693 -4.912 -4.367 1.00 0.00 C ATOM 526 C ILE A 35 -3.522 -4.747 -5.338 1.00 0.00 C ATOM 527 O ILE A 35 -3.700 -4.699 -6.538 1.00 0.00 O ATOM 528 CB ILE A 35 -5.080 -3.545 -3.801 1.00 0.00 C ATOM 529 CG1 ILE A 35 -6.001 -3.737 -2.593 1.00 0.00 C ATOM 530 CG2 ILE A 35 -5.811 -2.735 -4.874 1.00 0.00 C ATOM 531 CD1 ILE A 35 -7.368 -4.233 -3.067 1.00 0.00 C ATOM 0 H ILE A 35 -3.348 -5.672 -2.896 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.544 -5.343 -4.894 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.181 -3.012 -3.494 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -5.563 -4.454 -1.899 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -6.111 -2.797 -2.053 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.087 -1.761 -4.470 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -5.157 -2.599 -5.735 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -6.711 -3.268 -5.182 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.024 -4.370 -2.207 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -7.806 -3.500 -3.744 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.250 -5.183 -3.588 1.00 0.00 H new ATOM 543 N VAL A 36 -2.324 -4.662 -4.827 1.00 0.00 N ATOM 544 CA VAL A 36 -1.143 -4.501 -5.720 1.00 0.00 C ATOM 545 C VAL A 36 0.124 -4.914 -4.969 1.00 0.00 C ATOM 546 O VAL A 36 0.358 -4.500 -3.852 1.00 0.00 O ATOM 547 CB VAL A 36 -1.026 -3.038 -6.153 1.00 0.00 C ATOM 548 CG1 VAL A 36 -0.675 -2.173 -4.941 1.00 0.00 C ATOM 549 CG2 VAL A 36 0.075 -2.907 -7.209 1.00 0.00 C ATOM 0 H VAL A 36 -2.113 -4.697 -3.830 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.265 -5.131 -6.601 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.975 -2.706 -6.573 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -0.592 -1.131 -5.250 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -1.457 -2.267 -4.188 1.00 0.00 H new ATOM 0 HG13 VAL A 36 0.275 -2.504 -4.521 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.160 -1.865 -7.519 1.00 0.00 H new ATOM 0 HG22 VAL A 36 1.024 -3.239 -6.788 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -0.174 -3.523 -8.073 1.00 0.00 H new ATOM 559 N ASP A 37 0.944 -5.730 -5.574 1.00 0.00 N ATOM 560 CA ASP A 37 2.195 -6.169 -4.893 1.00 0.00 C ATOM 561 C ASP A 37 3.338 -5.225 -5.268 1.00 0.00 C ATOM 562 O ASP A 37 3.299 -4.562 -6.285 1.00 0.00 O ATOM 563 CB ASP A 37 2.543 -7.593 -5.334 1.00 0.00 C ATOM 564 CG ASP A 37 1.853 -8.597 -4.410 1.00 0.00 C ATOM 565 OD1 ASP A 37 1.214 -8.163 -3.467 1.00 0.00 O ATOM 566 OD2 ASP A 37 1.975 -9.786 -4.663 1.00 0.00 O ATOM 0 H ASP A 37 0.802 -6.111 -6.509 1.00 0.00 H new ATOM 0 HA ASP A 37 2.047 -6.149 -3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 37 2.226 -7.754 -6.364 1.00 0.00 H new ATOM 0 HB3 ASP A 37 3.623 -7.740 -5.306 1.00 0.00 H new ATOM 571 N ILE A 38 4.355 -5.158 -4.453 1.00 0.00 N ATOM 572 CA ILE A 38 5.499 -4.256 -4.764 1.00 0.00 C ATOM 573 C ILE A 38 6.806 -5.048 -4.693 1.00 0.00 C ATOM 574 O ILE A 38 6.861 -6.124 -4.132 1.00 0.00 O ATOM 575 CB ILE A 38 5.538 -3.114 -3.747 1.00 0.00 C ATOM 576 CG1 ILE A 38 6.589 -2.087 -4.175 1.00 0.00 C ATOM 577 CG2 ILE A 38 5.902 -3.669 -2.369 1.00 0.00 C ATOM 578 CD1 ILE A 38 6.471 -0.839 -3.297 1.00 0.00 C ATOM 0 H ILE A 38 4.443 -5.688 -3.586 1.00 0.00 H new ATOM 0 HA ILE A 38 5.377 -3.846 -5.766 1.00 0.00 H new ATOM 0 HB ILE A 38 4.559 -2.637 -3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 38 7.588 -2.514 -4.086 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.448 -1.822 -5.223 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.930 -2.855 -1.645 1.00 0.00 H new ATOM 0 HG22 ILE A 38 5.155 -4.402 -2.063 1.00 0.00 H new ATOM 0 HG23 ILE A 38 6.881 -4.146 -2.416 1.00 0.00 H new ATOM 0 HD11 ILE A 38 7.220 -0.108 -3.602 1.00 0.00 H new ATOM 0 HD12 ILE A 38 5.476 -0.408 -3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 38 6.633 -1.111 -2.254 1.00 0.00 H new ATOM 590 N GLU A 39 7.860 -4.524 -5.257 1.00 0.00 N ATOM 591 CA GLU A 39 9.161 -5.249 -5.221 1.00 0.00 C ATOM 592 C GLU A 39 10.308 -4.236 -5.199 1.00 0.00 C ATOM 593 O GLU A 39 10.561 -3.550 -6.169 1.00 0.00 O ATOM 594 CB GLU A 39 9.286 -6.134 -6.462 1.00 0.00 C ATOM 595 CG GLU A 39 10.457 -7.102 -6.284 1.00 0.00 C ATOM 596 CD GLU A 39 11.369 -7.031 -7.510 1.00 0.00 C ATOM 597 OE1 GLU A 39 10.917 -6.545 -8.533 1.00 0.00 O ATOM 598 OE2 GLU A 39 12.506 -7.464 -7.404 1.00 0.00 O ATOM 0 H GLU A 39 7.876 -3.626 -5.741 1.00 0.00 H new ATOM 0 HA GLU A 39 9.207 -5.870 -4.326 1.00 0.00 H new ATOM 0 HB2 GLU A 39 8.362 -6.690 -6.620 1.00 0.00 H new ATOM 0 HB3 GLU A 39 9.442 -5.517 -7.347 1.00 0.00 H new ATOM 0 HG2 GLU A 39 11.019 -6.849 -5.385 1.00 0.00 H new ATOM 0 HG3 GLU A 39 10.086 -8.118 -6.152 1.00 0.00 H new ATOM 605 N THR A 40 11.003 -4.137 -4.099 1.00 0.00 N ATOM 606 CA THR A 40 12.133 -3.170 -4.016 1.00 0.00 C ATOM 607 C THR A 40 13.372 -3.774 -4.680 1.00 0.00 C ATOM 608 O THR A 40 13.279 -4.696 -5.465 1.00 0.00 O ATOM 609 CB THR A 40 12.438 -2.866 -2.548 1.00 0.00 C ATOM 610 OG1 THR A 40 11.483 -3.517 -1.723 1.00 0.00 O ATOM 611 CG2 THR A 40 12.374 -1.357 -2.312 1.00 0.00 C ATOM 0 H THR A 40 10.837 -4.684 -3.254 1.00 0.00 H new ATOM 0 HA THR A 40 11.860 -2.248 -4.529 1.00 0.00 H new ATOM 0 HB THR A 40 13.437 -3.227 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 40 11.741 -3.418 -0.783 1.00 0.00 H new ATOM 0 HG21 THR A 40 12.592 -1.143 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 40 13.108 -0.858 -2.945 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.376 -0.992 -2.557 1.00 0.00 H new ATOM 619 N ASP A 41 14.532 -3.259 -4.373 1.00 0.00 N ATOM 620 CA ASP A 41 15.776 -3.799 -4.984 1.00 0.00 C ATOM 621 C ASP A 41 15.721 -5.328 -4.996 1.00 0.00 C ATOM 622 O ASP A 41 15.639 -5.948 -6.038 1.00 0.00 O ATOM 623 CB ASP A 41 16.986 -3.339 -4.168 1.00 0.00 C ATOM 624 CG ASP A 41 18.270 -3.635 -4.946 1.00 0.00 C ATOM 625 OD1 ASP A 41 18.202 -4.402 -5.891 1.00 0.00 O ATOM 626 OD2 ASP A 41 19.298 -3.088 -4.583 1.00 0.00 O ATOM 0 H ASP A 41 14.670 -2.485 -3.723 1.00 0.00 H new ATOM 0 HA ASP A 41 15.865 -3.432 -6.007 1.00 0.00 H new ATOM 0 HB2 ASP A 41 16.913 -2.272 -3.959 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.005 -3.851 -3.206 1.00 0.00 H new ATOM 631 N LYS A 42 15.766 -5.942 -3.846 1.00 0.00 N ATOM 632 CA LYS A 42 15.717 -7.430 -3.793 1.00 0.00 C ATOM 633 C LYS A 42 14.688 -7.870 -2.750 1.00 0.00 C ATOM 634 O LYS A 42 14.750 -8.965 -2.226 1.00 0.00 O ATOM 635 CB LYS A 42 17.095 -7.973 -3.411 1.00 0.00 C ATOM 636 CG LYS A 42 18.103 -7.630 -4.510 1.00 0.00 C ATOM 637 CD LYS A 42 19.450 -8.280 -4.188 1.00 0.00 C ATOM 638 CE LYS A 42 20.183 -8.608 -5.491 1.00 0.00 C ATOM 639 NZ LYS A 42 21.612 -8.907 -5.194 1.00 0.00 N ATOM 0 H LYS A 42 15.835 -5.477 -2.941 1.00 0.00 H new ATOM 0 HA LYS A 42 15.432 -7.819 -4.771 1.00 0.00 H new ATOM 0 HB2 LYS A 42 17.416 -7.544 -2.462 1.00 0.00 H new ATOM 0 HB3 LYS A 42 17.046 -9.053 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 42 17.739 -7.982 -5.475 1.00 0.00 H new ATOM 0 HG3 LYS A 42 18.218 -6.549 -4.588 1.00 0.00 H new ATOM 0 HD2 LYS A 42 20.054 -7.608 -3.578 1.00 0.00 H new ATOM 0 HD3 LYS A 42 19.297 -9.189 -3.605 1.00 0.00 H new ATOM 0 HE2 LYS A 42 19.715 -9.463 -5.979 1.00 0.00 H new ATOM 0 HE3 LYS A 42 20.112 -7.768 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 22.111 -9.130 -6.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 22.054 -8.079 -4.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 21.670 -9.721 -4.549 1.00 0.00 H new ATOM 653 N VAL A 43 13.742 -7.026 -2.443 1.00 0.00 N ATOM 654 CA VAL A 43 12.710 -7.397 -1.433 1.00 0.00 C ATOM 655 C VAL A 43 11.330 -7.404 -2.094 1.00 0.00 C ATOM 656 O VAL A 43 11.135 -6.842 -3.152 1.00 0.00 O ATOM 657 CB VAL A 43 12.724 -6.378 -0.292 1.00 0.00 C ATOM 658 CG1 VAL A 43 12.172 -7.028 0.979 1.00 0.00 C ATOM 659 CG2 VAL A 43 14.160 -5.912 -0.044 1.00 0.00 C ATOM 0 H VAL A 43 13.639 -6.095 -2.848 1.00 0.00 H new ATOM 0 HA VAL A 43 12.928 -8.389 -1.037 1.00 0.00 H new ATOM 0 HB VAL A 43 12.105 -5.522 -0.561 1.00 0.00 H new ATOM 0 HG11 VAL A 43 12.182 -6.302 1.792 1.00 0.00 H new ATOM 0 HG12 VAL A 43 11.149 -7.362 0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 43 12.791 -7.884 1.249 1.00 0.00 H new ATOM 0 HG21 VAL A 43 14.172 -5.186 0.769 1.00 0.00 H new ATOM 0 HG22 VAL A 43 14.779 -6.768 0.225 1.00 0.00 H new ATOM 0 HG23 VAL A 43 14.554 -5.450 -0.949 1.00 0.00 H new ATOM 669 N VAL A 44 10.371 -8.039 -1.477 1.00 0.00 N ATOM 670 CA VAL A 44 9.005 -8.082 -2.070 1.00 0.00 C ATOM 671 C VAL A 44 7.964 -7.856 -0.972 1.00 0.00 C ATOM 672 O VAL A 44 7.956 -8.531 0.038 1.00 0.00 O ATOM 673 CB VAL A 44 8.774 -9.449 -2.718 1.00 0.00 C ATOM 674 CG1 VAL A 44 7.530 -9.389 -3.607 1.00 0.00 C ATOM 675 CG2 VAL A 44 9.990 -9.820 -3.570 1.00 0.00 C ATOM 0 H VAL A 44 10.475 -8.529 -0.589 1.00 0.00 H new ATOM 0 HA VAL A 44 8.912 -7.301 -2.825 1.00 0.00 H new ATOM 0 HB VAL A 44 8.630 -10.200 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.365 -10.363 -4.069 1.00 0.00 H new ATOM 0 HG12 VAL A 44 6.663 -9.123 -3.002 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.674 -8.639 -4.384 1.00 0.00 H new ATOM 0 HG21 VAL A 44 9.827 -10.794 -4.032 1.00 0.00 H new ATOM 0 HG22 VAL A 44 10.133 -9.069 -4.347 1.00 0.00 H new ATOM 0 HG23 VAL A 44 10.877 -9.862 -2.939 1.00 0.00 H new ATOM 685 N MET A 45 7.085 -6.909 -1.161 1.00 0.00 N ATOM 686 CA MET A 45 6.046 -6.642 -0.127 1.00 0.00 C ATOM 687 C MET A 45 4.658 -6.752 -0.760 1.00 0.00 C ATOM 688 O MET A 45 4.512 -7.173 -1.890 1.00 0.00 O ATOM 689 CB MET A 45 6.239 -5.232 0.437 1.00 0.00 C ATOM 690 CG MET A 45 7.221 -5.281 1.609 1.00 0.00 C ATOM 691 SD MET A 45 6.655 -4.166 2.918 1.00 0.00 S ATOM 692 CE MET A 45 7.811 -4.713 4.198 1.00 0.00 C ATOM 0 H MET A 45 7.042 -6.310 -1.985 1.00 0.00 H new ATOM 0 HA MET A 45 6.138 -7.371 0.678 1.00 0.00 H new ATOM 0 HB2 MET A 45 6.616 -4.567 -0.340 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.282 -4.827 0.767 1.00 0.00 H new ATOM 0 HG2 MET A 45 7.297 -6.299 1.991 1.00 0.00 H new ATOM 0 HG3 MET A 45 8.217 -4.991 1.275 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.637 -4.146 5.112 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.660 -5.774 4.395 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.834 -4.549 3.859 1.00 0.00 H new ATOM 702 N GLU A 46 3.636 -6.373 -0.042 1.00 0.00 N ATOM 703 CA GLU A 46 2.258 -6.457 -0.603 1.00 0.00 C ATOM 704 C GLU A 46 1.476 -5.198 -0.222 1.00 0.00 C ATOM 705 O GLU A 46 1.740 -4.573 0.786 1.00 0.00 O ATOM 706 CB GLU A 46 1.550 -7.689 -0.035 1.00 0.00 C ATOM 707 CG GLU A 46 1.735 -7.732 1.482 1.00 0.00 C ATOM 708 CD GLU A 46 2.569 -8.958 1.860 1.00 0.00 C ATOM 709 OE1 GLU A 46 2.335 -10.009 1.285 1.00 0.00 O ATOM 710 OE2 GLU A 46 3.426 -8.826 2.718 1.00 0.00 O ATOM 0 H GLU A 46 3.696 -6.009 0.909 1.00 0.00 H new ATOM 0 HA GLU A 46 2.311 -6.538 -1.689 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.489 -7.657 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.955 -8.594 -0.487 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.229 -6.823 1.825 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.764 -7.773 1.976 1.00 0.00 H new ATOM 717 N VAL A 47 0.516 -4.822 -1.021 1.00 0.00 N ATOM 718 CA VAL A 47 -0.282 -3.604 -0.704 1.00 0.00 C ATOM 719 C VAL A 47 -1.764 -3.975 -0.611 1.00 0.00 C ATOM 720 O VAL A 47 -2.393 -4.308 -1.595 1.00 0.00 O ATOM 721 CB VAL A 47 -0.086 -2.564 -1.809 1.00 0.00 C ATOM 722 CG1 VAL A 47 -0.787 -1.262 -1.417 1.00 0.00 C ATOM 723 CG2 VAL A 47 1.409 -2.300 -1.999 1.00 0.00 C ATOM 0 H VAL A 47 0.250 -5.305 -1.879 1.00 0.00 H new ATOM 0 HA VAL A 47 0.050 -3.190 0.248 1.00 0.00 H new ATOM 0 HB VAL A 47 -0.512 -2.939 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -0.647 -0.522 -2.205 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -1.852 -1.449 -1.280 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -0.362 -0.886 -0.486 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.551 -1.559 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 47 1.834 -1.926 -1.068 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.909 -3.227 -2.279 1.00 0.00 H new ATOM 733 N LEU A 48 -2.325 -3.921 0.565 1.00 0.00 N ATOM 734 CA LEU A 48 -3.765 -4.271 0.720 1.00 0.00 C ATOM 735 C LEU A 48 -4.592 -2.988 0.838 1.00 0.00 C ATOM 736 O LEU A 48 -4.064 -1.916 1.055 1.00 0.00 O ATOM 737 CB LEU A 48 -3.951 -5.115 1.984 1.00 0.00 C ATOM 738 CG LEU A 48 -4.451 -6.508 1.597 1.00 0.00 C ATOM 739 CD1 LEU A 48 -3.267 -7.473 1.521 1.00 0.00 C ATOM 740 CD2 LEU A 48 -5.443 -7.003 2.653 1.00 0.00 C ATOM 0 H LEU A 48 -1.849 -3.650 1.425 1.00 0.00 H new ATOM 0 HA LEU A 48 -4.097 -4.839 -0.149 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -3.008 -5.193 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -4.664 -4.634 2.654 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.944 -6.460 0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.624 -8.465 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -2.558 -7.121 0.772 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.774 -7.521 2.492 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -5.801 -7.996 2.379 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -4.948 -7.050 3.623 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -6.287 -6.316 2.709 1.00 0.00 H new ATOM 752 N ALA A 49 -5.885 -3.091 0.695 1.00 0.00 N ATOM 753 CA ALA A 49 -6.744 -1.877 0.798 1.00 0.00 C ATOM 754 C ALA A 49 -6.897 -1.484 2.268 1.00 0.00 C ATOM 755 O ALA A 49 -6.955 -2.324 3.144 1.00 0.00 O ATOM 756 CB ALA A 49 -8.122 -2.176 0.205 1.00 0.00 C ATOM 0 H ALA A 49 -6.383 -3.962 0.512 1.00 0.00 H new ATOM 0 HA ALA A 49 -6.281 -1.057 0.249 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -8.751 -1.289 0.280 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -8.014 -2.457 -0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -8.584 -2.996 0.755 1.00 0.00 H new ATOM 762 N GLU A 50 -6.964 -0.211 2.548 1.00 0.00 N ATOM 763 CA GLU A 50 -7.113 0.235 3.962 1.00 0.00 C ATOM 764 C GLU A 50 -8.525 0.781 4.180 1.00 0.00 C ATOM 765 O GLU A 50 -8.836 1.326 5.221 1.00 0.00 O ATOM 766 CB GLU A 50 -6.090 1.333 4.261 1.00 0.00 C ATOM 767 CG GLU A 50 -5.132 0.856 5.355 1.00 0.00 C ATOM 768 CD GLU A 50 -5.287 1.744 6.591 1.00 0.00 C ATOM 769 OE1 GLU A 50 -5.212 2.953 6.441 1.00 0.00 O ATOM 770 OE2 GLU A 50 -5.477 1.201 7.666 1.00 0.00 O ATOM 0 H GLU A 50 -6.922 0.539 1.858 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.944 -0.611 4.629 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.533 1.581 3.358 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.600 2.242 4.580 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.343 -0.182 5.611 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.104 0.892 4.994 1.00 0.00 H new ATOM 777 N ALA A 51 -9.384 0.641 3.208 1.00 0.00 N ATOM 778 CA ALA A 51 -10.775 1.153 3.362 1.00 0.00 C ATOM 779 C ALA A 51 -11.602 0.764 2.135 1.00 0.00 C ATOM 780 O ALA A 51 -11.267 1.102 1.017 1.00 0.00 O ATOM 781 CB ALA A 51 -10.746 2.677 3.495 1.00 0.00 C ATOM 0 H ALA A 51 -9.183 0.194 2.314 1.00 0.00 H new ATOM 0 HA ALA A 51 -11.224 0.719 4.255 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -11.763 3.052 3.608 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -10.158 2.955 4.370 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -10.296 3.112 2.602 1.00 0.00 H new ATOM 787 N ASP A 52 -12.681 0.057 2.335 1.00 0.00 N ATOM 788 CA ASP A 52 -13.527 -0.352 1.180 1.00 0.00 C ATOM 789 C ASP A 52 -13.930 0.891 0.382 1.00 0.00 C ATOM 790 O ASP A 52 -13.710 2.010 0.797 1.00 0.00 O ATOM 791 CB ASP A 52 -14.771 -1.095 1.701 1.00 0.00 C ATOM 792 CG ASP A 52 -15.972 -0.889 0.770 1.00 0.00 C ATOM 793 OD1 ASP A 52 -16.684 0.083 0.960 1.00 0.00 O ATOM 794 OD2 ASP A 52 -16.157 -1.709 -0.116 1.00 0.00 O ATOM 0 H ASP A 52 -13.012 -0.254 3.248 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.970 -1.021 0.524 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -14.552 -2.159 1.786 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -15.018 -0.739 2.701 1.00 0.00 H new ATOM 799 N GLY A 53 -14.520 0.693 -0.762 1.00 0.00 N ATOM 800 CA GLY A 53 -14.944 1.852 -1.596 1.00 0.00 C ATOM 801 C GLY A 53 -14.680 1.543 -3.071 1.00 0.00 C ATOM 802 O GLY A 53 -14.906 0.442 -3.535 1.00 0.00 O ATOM 0 H GLY A 53 -14.728 -0.224 -1.157 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -16.003 2.057 -1.440 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.398 2.747 -1.298 1.00 0.00 H new ATOM 806 N VAL A 54 -14.204 2.505 -3.814 1.00 0.00 N ATOM 807 CA VAL A 54 -13.926 2.264 -5.257 1.00 0.00 C ATOM 808 C VAL A 54 -12.611 2.943 -5.642 1.00 0.00 C ATOM 809 O VAL A 54 -12.440 4.133 -5.467 1.00 0.00 O ATOM 810 CB VAL A 54 -15.066 2.840 -6.098 1.00 0.00 C ATOM 811 CG1 VAL A 54 -14.651 2.870 -7.571 1.00 0.00 C ATOM 812 CG2 VAL A 54 -16.309 1.963 -5.938 1.00 0.00 C ATOM 0 H VAL A 54 -13.996 3.447 -3.483 1.00 0.00 H new ATOM 0 HA VAL A 54 -13.847 1.192 -5.439 1.00 0.00 H new ATOM 0 HB VAL A 54 -15.288 3.853 -5.763 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -15.464 3.281 -8.170 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -13.764 3.493 -7.687 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -14.429 1.857 -7.907 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -17.123 2.372 -6.537 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -16.085 0.950 -6.273 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -16.606 1.941 -4.889 1.00 0.00 H new ATOM 822 N ILE A 55 -11.679 2.195 -6.167 1.00 0.00 N ATOM 823 CA ILE A 55 -10.375 2.797 -6.564 1.00 0.00 C ATOM 824 C ILE A 55 -10.597 3.792 -7.704 1.00 0.00 C ATOM 825 O ILE A 55 -11.653 3.841 -8.303 1.00 0.00 O ATOM 826 CB ILE A 55 -9.428 1.691 -7.029 1.00 0.00 C ATOM 827 CG1 ILE A 55 -9.344 0.608 -5.950 1.00 0.00 C ATOM 828 CG2 ILE A 55 -8.037 2.277 -7.277 1.00 0.00 C ATOM 829 CD1 ILE A 55 -8.510 1.118 -4.771 1.00 0.00 C ATOM 0 H ILE A 55 -11.764 1.193 -6.338 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.939 3.317 -5.711 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.805 1.255 -7.954 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.345 0.340 -5.611 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.895 -0.295 -6.362 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -7.363 1.487 -7.608 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -8.099 3.048 -8.045 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -7.657 2.715 -6.354 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.452 0.345 -4.005 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -7.505 1.364 -5.115 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -8.978 2.009 -4.353 1.00 0.00 H new ATOM 841 N ALA A 56 -9.609 4.588 -8.010 1.00 0.00 N ATOM 842 CA ALA A 56 -9.764 5.579 -9.112 1.00 0.00 C ATOM 843 C ALA A 56 -9.062 5.059 -10.368 1.00 0.00 C ATOM 844 O ALA A 56 -9.692 4.775 -11.369 1.00 0.00 O ATOM 845 CB ALA A 56 -9.136 6.910 -8.692 1.00 0.00 C ATOM 0 H ALA A 56 -8.701 4.595 -7.545 1.00 0.00 H new ATOM 0 HA ALA A 56 -10.823 5.726 -9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.249 7.636 -9.497 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.635 7.281 -7.797 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.077 6.762 -8.482 1.00 0.00 H new ATOM 851 N GLU A 57 -7.764 4.930 -10.326 1.00 0.00 N ATOM 852 CA GLU A 57 -7.026 4.428 -11.519 1.00 0.00 C ATOM 853 C GLU A 57 -5.564 4.175 -11.146 1.00 0.00 C ATOM 854 O GLU A 57 -5.059 4.710 -10.179 1.00 0.00 O ATOM 855 CB GLU A 57 -7.095 5.471 -12.636 1.00 0.00 C ATOM 856 CG GLU A 57 -7.840 4.885 -13.837 1.00 0.00 C ATOM 857 CD GLU A 57 -7.538 5.719 -15.083 1.00 0.00 C ATOM 858 OE1 GLU A 57 -6.369 5.900 -15.382 1.00 0.00 O ATOM 859 OE2 GLU A 57 -8.481 6.163 -15.718 1.00 0.00 O ATOM 0 H GLU A 57 -7.183 5.151 -9.517 1.00 0.00 H new ATOM 0 HA GLU A 57 -7.479 3.498 -11.862 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -7.604 6.367 -12.281 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -6.089 5.772 -12.930 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -7.536 3.850 -13.997 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -8.913 4.876 -13.644 1.00 0.00 H new ATOM 866 N ILE A 58 -4.881 3.364 -11.906 1.00 0.00 N ATOM 867 CA ILE A 58 -3.451 3.078 -11.595 1.00 0.00 C ATOM 868 C ILE A 58 -2.562 4.093 -12.314 1.00 0.00 C ATOM 869 O ILE A 58 -2.703 4.328 -13.497 1.00 0.00 O ATOM 870 CB ILE A 58 -3.098 1.666 -12.067 1.00 0.00 C ATOM 871 CG1 ILE A 58 -4.023 0.655 -11.385 1.00 0.00 C ATOM 872 CG2 ILE A 58 -1.646 1.354 -11.703 1.00 0.00 C ATOM 873 CD1 ILE A 58 -3.874 -0.710 -12.062 1.00 0.00 C ATOM 0 H ILE A 58 -5.250 2.887 -12.728 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.291 3.151 -10.519 1.00 0.00 H new ATOM 0 HB ILE A 58 -3.223 1.602 -13.148 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -3.776 0.577 -10.326 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -5.057 0.993 -11.447 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -1.395 0.348 -12.039 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.987 2.074 -12.188 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.520 1.417 -10.622 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.532 -1.431 -11.577 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -4.142 -0.625 -13.115 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -2.841 -1.048 -11.977 1.00 0.00 H new ATOM 885 N VAL A 59 -1.645 4.698 -11.609 1.00 0.00 N ATOM 886 CA VAL A 59 -0.748 5.698 -12.254 1.00 0.00 C ATOM 887 C VAL A 59 0.496 4.991 -12.795 1.00 0.00 C ATOM 888 O VAL A 59 1.003 5.324 -13.848 1.00 0.00 O ATOM 889 CB VAL A 59 -0.330 6.748 -11.224 1.00 0.00 C ATOM 890 CG1 VAL A 59 0.802 7.603 -11.796 1.00 0.00 C ATOM 891 CG2 VAL A 59 -1.528 7.642 -10.896 1.00 0.00 C ATOM 0 H VAL A 59 -1.478 4.543 -10.615 1.00 0.00 H new ATOM 0 HA VAL A 59 -1.276 6.185 -13.074 1.00 0.00 H new ATOM 0 HB VAL A 59 0.014 6.251 -10.317 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.100 8.351 -11.061 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.655 6.967 -12.032 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.459 8.101 -12.703 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -1.232 8.391 -10.162 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -1.871 8.139 -11.804 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -2.335 7.033 -10.489 1.00 0.00 H new ATOM 901 N LYS A 60 0.993 4.017 -12.083 1.00 0.00 N ATOM 902 CA LYS A 60 2.205 3.289 -12.557 1.00 0.00 C ATOM 903 C LYS A 60 1.833 1.842 -12.884 1.00 0.00 C ATOM 904 O LYS A 60 1.099 1.200 -12.158 1.00 0.00 O ATOM 905 CB LYS A 60 3.272 3.307 -11.461 1.00 0.00 C ATOM 906 CG LYS A 60 4.619 3.709 -12.066 1.00 0.00 C ATOM 907 CD LYS A 60 5.019 5.091 -11.547 1.00 0.00 C ATOM 908 CE LYS A 60 5.665 5.894 -12.678 1.00 0.00 C ATOM 909 NZ LYS A 60 6.099 7.222 -12.160 1.00 0.00 N ATOM 0 H LYS A 60 0.613 3.694 -11.194 1.00 0.00 H new ATOM 0 HA LYS A 60 2.596 3.775 -13.451 1.00 0.00 H new ATOM 0 HB2 LYS A 60 2.990 4.009 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 60 3.349 2.324 -10.997 1.00 0.00 H new ATOM 0 HG2 LYS A 60 5.381 2.975 -11.803 1.00 0.00 H new ATOM 0 HG3 LYS A 60 4.552 3.723 -13.154 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.142 5.617 -11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 60 5.715 4.991 -10.714 1.00 0.00 H new ATOM 0 HE2 LYS A 60 6.520 5.352 -13.081 1.00 0.00 H new ATOM 0 HE3 LYS A 60 4.957 6.025 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.538 7.768 -12.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.274 7.739 -11.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 6.789 7.087 -11.393 1.00 0.00 H new ATOM 923 N ASN A 61 2.334 1.321 -13.971 1.00 0.00 N ATOM 924 CA ASN A 61 2.008 -0.085 -14.342 1.00 0.00 C ATOM 925 C ASN A 61 2.879 -1.042 -13.526 1.00 0.00 C ATOM 926 O ASN A 61 3.940 -0.683 -13.058 1.00 0.00 O ATOM 927 CB ASN A 61 2.277 -0.296 -15.833 1.00 0.00 C ATOM 928 CG ASN A 61 1.463 0.712 -16.647 1.00 0.00 C ATOM 929 OD1 ASN A 61 0.393 1.245 -16.123 1.00 0.00 O flip ATOM 930 ND2 ASN A 61 1.804 1.017 -17.773 1.00 0.00 N flip ATOM 0 H ASN A 61 2.955 1.808 -14.618 1.00 0.00 H new ATOM 0 HA ASN A 61 0.957 -0.281 -14.132 1.00 0.00 H new ATOM 0 HB2 ASN A 61 3.340 -0.175 -16.042 1.00 0.00 H new ATOM 0 HB3 ASN A 61 2.010 -1.313 -16.121 1.00 0.00 H new ATOM 0 HD21 ASN A 61 2.640 0.601 -18.183 1.00 0.00 H new ATOM 0 HD22 ASN A 61 1.254 1.689 -18.308 1.00 0.00 H new ATOM 937 N GLU A 62 2.438 -2.258 -13.353 1.00 0.00 N ATOM 938 CA GLU A 62 3.242 -3.236 -12.569 1.00 0.00 C ATOM 939 C GLU A 62 4.491 -3.623 -13.364 1.00 0.00 C ATOM 940 O GLU A 62 4.454 -3.753 -14.570 1.00 0.00 O ATOM 941 CB GLU A 62 2.403 -4.486 -12.297 1.00 0.00 C ATOM 942 CG GLU A 62 1.651 -4.884 -13.570 1.00 0.00 C ATOM 943 CD GLU A 62 1.974 -6.338 -13.920 1.00 0.00 C ATOM 944 OE1 GLU A 62 1.368 -7.217 -13.329 1.00 0.00 O ATOM 945 OE2 GLU A 62 2.821 -6.547 -14.772 1.00 0.00 O ATOM 0 H GLU A 62 1.556 -2.616 -13.721 1.00 0.00 H new ATOM 0 HA GLU A 62 3.539 -2.785 -11.622 1.00 0.00 H new ATOM 0 HB2 GLU A 62 3.045 -5.304 -11.971 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.696 -4.294 -11.490 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.578 -4.764 -13.424 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.936 -4.229 -14.393 1.00 0.00 H new ATOM 952 N GLY A 63 5.596 -3.807 -12.696 1.00 0.00 N ATOM 953 CA GLY A 63 6.846 -4.186 -13.414 1.00 0.00 C ATOM 954 C GLY A 63 7.653 -2.927 -13.734 1.00 0.00 C ATOM 955 O GLY A 63 8.823 -2.993 -14.057 1.00 0.00 O ATOM 0 H GLY A 63 5.688 -3.711 -11.685 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.439 -4.864 -12.800 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.603 -4.718 -14.334 1.00 0.00 H new ATOM 959 N ASP A 64 7.040 -1.778 -13.646 1.00 0.00 N ATOM 960 CA ASP A 64 7.774 -0.517 -13.944 1.00 0.00 C ATOM 961 C ASP A 64 8.531 -0.063 -12.694 1.00 0.00 C ATOM 962 O ASP A 64 8.358 -0.600 -11.617 1.00 0.00 O ATOM 963 CB ASP A 64 6.769 0.559 -14.396 1.00 0.00 C ATOM 964 CG ASP A 64 7.249 1.964 -14.010 1.00 0.00 C ATOM 965 OD1 ASP A 64 7.074 2.333 -12.860 1.00 0.00 O ATOM 966 OD2 ASP A 64 7.783 2.643 -14.871 1.00 0.00 O ATOM 0 H ASP A 64 6.062 -1.659 -13.381 1.00 0.00 H new ATOM 0 HA ASP A 64 8.495 -0.681 -14.745 1.00 0.00 H new ATOM 0 HB2 ASP A 64 6.633 0.502 -15.476 1.00 0.00 H new ATOM 0 HB3 ASP A 64 5.797 0.366 -13.942 1.00 0.00 H new ATOM 971 N THR A 65 9.369 0.923 -12.836 1.00 0.00 N ATOM 972 CA THR A 65 10.144 1.422 -11.665 1.00 0.00 C ATOM 973 C THR A 65 9.438 2.641 -11.068 1.00 0.00 C ATOM 974 O THR A 65 9.032 3.542 -11.774 1.00 0.00 O ATOM 975 CB THR A 65 11.552 1.818 -12.116 1.00 0.00 C ATOM 976 OG1 THR A 65 12.225 0.674 -12.621 1.00 0.00 O ATOM 977 CG2 THR A 65 12.330 2.389 -10.929 1.00 0.00 C ATOM 0 H THR A 65 9.552 1.407 -13.715 1.00 0.00 H new ATOM 0 HA THR A 65 10.211 0.636 -10.912 1.00 0.00 H new ATOM 0 HB THR A 65 11.484 2.574 -12.898 1.00 0.00 H new ATOM 0 HG1 THR A 65 13.126 0.926 -12.912 1.00 0.00 H new ATOM 0 HG21 THR A 65 13.332 2.670 -11.252 1.00 0.00 H new ATOM 0 HG22 THR A 65 11.813 3.268 -10.544 1.00 0.00 H new ATOM 0 HG23 THR A 65 12.400 1.636 -10.144 1.00 0.00 H new ATOM 985 N VAL A 66 9.288 2.676 -9.772 1.00 0.00 N ATOM 986 CA VAL A 66 8.608 3.837 -9.133 1.00 0.00 C ATOM 987 C VAL A 66 9.595 4.564 -8.217 1.00 0.00 C ATOM 988 O VAL A 66 10.793 4.504 -8.409 1.00 0.00 O ATOM 989 CB VAL A 66 7.418 3.342 -8.309 1.00 0.00 C ATOM 990 CG1 VAL A 66 6.555 2.413 -9.165 1.00 0.00 C ATOM 991 CG2 VAL A 66 7.929 2.577 -7.086 1.00 0.00 C ATOM 0 H VAL A 66 9.607 1.951 -9.129 1.00 0.00 H new ATOM 0 HA VAL A 66 8.255 4.521 -9.905 1.00 0.00 H new ATOM 0 HB VAL A 66 6.822 4.195 -7.984 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.707 2.060 -8.578 1.00 0.00 H new ATOM 0 HG12 VAL A 66 6.191 2.956 -10.038 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.151 1.560 -9.490 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.082 2.224 -6.498 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.525 1.725 -7.413 1.00 0.00 H new ATOM 0 HG23 VAL A 66 8.545 3.237 -6.475 1.00 0.00 H new ATOM 1001 N LEU A 67 9.102 5.251 -7.223 1.00 0.00 N ATOM 1002 CA LEU A 67 10.013 5.980 -6.297 1.00 0.00 C ATOM 1003 C LEU A 67 9.381 6.045 -4.905 1.00 0.00 C ATOM 1004 O LEU A 67 8.268 5.603 -4.697 1.00 0.00 O ATOM 1005 CB LEU A 67 10.243 7.400 -6.820 1.00 0.00 C ATOM 1006 CG LEU A 67 11.358 7.384 -7.867 1.00 0.00 C ATOM 1007 CD1 LEU A 67 10.747 7.237 -9.261 1.00 0.00 C ATOM 1008 CD2 LEU A 67 12.143 8.696 -7.792 1.00 0.00 C ATOM 0 H LEU A 67 8.108 5.339 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 67 10.967 5.456 -6.239 1.00 0.00 H new ATOM 0 HB2 LEU A 67 9.324 7.791 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.512 8.063 -5.997 1.00 0.00 H new ATOM 0 HG LEU A 67 12.027 6.546 -7.673 1.00 0.00 H new ATOM 0 HD11 LEU A 67 11.542 7.226 -10.007 1.00 0.00 H new ATOM 0 HD12 LEU A 67 10.185 6.305 -9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 67 10.079 8.076 -9.456 1.00 0.00 H new ATOM 0 HD21 LEU A 67 12.938 8.687 -8.537 1.00 0.00 H new ATOM 0 HD22 LEU A 67 11.472 9.533 -7.987 1.00 0.00 H new ATOM 0 HD23 LEU A 67 12.578 8.803 -6.798 1.00 0.00 H new ATOM 1020 N SER A 68 10.080 6.594 -3.951 1.00 0.00 N ATOM 1021 CA SER A 68 9.518 6.687 -2.574 1.00 0.00 C ATOM 1022 C SER A 68 8.366 7.693 -2.561 1.00 0.00 C ATOM 1023 O SER A 68 8.569 8.885 -2.680 1.00 0.00 O ATOM 1024 CB SER A 68 10.609 7.148 -1.607 1.00 0.00 C ATOM 1025 OG SER A 68 10.018 7.907 -0.560 1.00 0.00 O ATOM 0 H SER A 68 11.016 6.982 -4.065 1.00 0.00 H new ATOM 0 HA SER A 68 9.150 5.709 -2.265 1.00 0.00 H new ATOM 0 HB2 SER A 68 11.134 6.286 -1.195 1.00 0.00 H new ATOM 0 HB3 SER A 68 11.349 7.750 -2.135 1.00 0.00 H new ATOM 0 HG SER A 68 10.714 8.203 0.063 1.00 0.00 H new ATOM 1031 N GLY A 69 7.157 7.224 -2.417 1.00 0.00 N ATOM 1032 CA GLY A 69 5.992 8.155 -2.396 1.00 0.00 C ATOM 1033 C GLY A 69 5.399 8.264 -3.801 1.00 0.00 C ATOM 1034 O GLY A 69 4.716 9.215 -4.125 1.00 0.00 O ATOM 0 H GLY A 69 6.925 6.236 -2.313 1.00 0.00 H new ATOM 0 HA2 GLY A 69 5.237 7.793 -1.698 1.00 0.00 H new ATOM 0 HA3 GLY A 69 6.305 9.138 -2.045 1.00 0.00 H new ATOM 1038 N GLU A 70 5.652 7.295 -4.638 1.00 0.00 N ATOM 1039 CA GLU A 70 5.101 7.345 -6.022 1.00 0.00 C ATOM 1040 C GLU A 70 3.601 7.043 -5.984 1.00 0.00 C ATOM 1041 O GLU A 70 3.180 5.995 -5.536 1.00 0.00 O ATOM 1042 CB GLU A 70 5.809 6.303 -6.890 1.00 0.00 C ATOM 1043 CG GLU A 70 5.059 6.146 -8.215 1.00 0.00 C ATOM 1044 CD GLU A 70 4.796 7.526 -8.819 1.00 0.00 C ATOM 1045 OE1 GLU A 70 5.755 8.243 -9.051 1.00 0.00 O ATOM 1046 OE2 GLU A 70 3.638 7.845 -9.040 1.00 0.00 O ATOM 0 H GLU A 70 6.215 6.472 -4.424 1.00 0.00 H new ATOM 0 HA GLU A 70 5.262 8.338 -6.442 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.838 6.609 -7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 70 5.850 5.347 -6.368 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.644 5.540 -8.907 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.117 5.623 -8.052 1.00 0.00 H new ATOM 1053 N LEU A 71 2.791 7.954 -6.451 1.00 0.00 N ATOM 1054 CA LEU A 71 1.320 7.718 -6.441 1.00 0.00 C ATOM 1055 C LEU A 71 0.984 6.549 -7.370 1.00 0.00 C ATOM 1056 O LEU A 71 1.114 6.644 -8.574 1.00 0.00 O ATOM 1057 CB LEU A 71 0.599 8.977 -6.926 1.00 0.00 C ATOM 1058 CG LEU A 71 -0.891 8.678 -7.099 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -1.552 8.555 -5.726 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -1.551 9.816 -7.881 1.00 0.00 C ATOM 0 H LEU A 71 3.084 8.851 -6.839 1.00 0.00 H new ATOM 0 HA LEU A 71 0.997 7.481 -5.427 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.737 9.787 -6.210 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.026 9.312 -7.872 1.00 0.00 H new ATOM 0 HG LEU A 71 -1.012 7.742 -7.644 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -2.614 8.342 -5.851 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -1.083 7.745 -5.167 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.432 9.490 -5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -2.613 9.604 -8.005 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -1.429 10.751 -7.335 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -1.082 9.904 -8.861 1.00 0.00 H new ATOM 1072 N LEU A 72 0.554 5.447 -6.820 1.00 0.00 N ATOM 1073 CA LEU A 72 0.211 4.274 -7.671 1.00 0.00 C ATOM 1074 C LEU A 72 -1.290 4.278 -7.964 1.00 0.00 C ATOM 1075 O LEU A 72 -1.772 3.535 -8.796 1.00 0.00 O ATOM 1076 CB LEU A 72 0.584 2.985 -6.936 1.00 0.00 C ATOM 1077 CG LEU A 72 1.969 3.137 -6.307 1.00 0.00 C ATOM 1078 CD1 LEU A 72 2.143 2.102 -5.194 1.00 0.00 C ATOM 1079 CD2 LEU A 72 3.041 2.918 -7.377 1.00 0.00 C ATOM 0 H LEU A 72 0.425 5.308 -5.818 1.00 0.00 H new ATOM 0 HA LEU A 72 0.764 4.331 -8.609 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -0.155 2.767 -6.165 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.579 2.144 -7.630 1.00 0.00 H new ATOM 0 HG LEU A 72 2.069 4.139 -5.889 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.131 2.212 -4.746 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.380 2.256 -4.431 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.042 1.100 -5.610 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.029 3.026 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.939 1.916 -7.794 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.919 3.656 -8.170 1.00 0.00 H new ATOM 1091 N GLY A 73 -2.034 5.110 -7.288 1.00 0.00 N ATOM 1092 CA GLY A 73 -3.504 5.162 -7.529 1.00 0.00 C ATOM 1093 C GLY A 73 -4.178 5.967 -6.417 1.00 0.00 C ATOM 1094 O GLY A 73 -3.604 6.200 -5.371 1.00 0.00 O ATOM 0 H GLY A 73 -1.687 5.756 -6.579 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -3.708 5.619 -8.497 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -3.914 4.152 -7.560 1.00 0.00 H new ATOM 1098 N LYS A 74 -5.391 6.394 -6.633 1.00 0.00 N ATOM 1099 CA LYS A 74 -6.101 7.185 -5.588 1.00 0.00 C ATOM 1100 C LYS A 74 -7.443 6.522 -5.271 1.00 0.00 C ATOM 1101 O LYS A 74 -8.093 5.971 -6.136 1.00 0.00 O ATOM 1102 CB LYS A 74 -6.342 8.606 -6.100 1.00 0.00 C ATOM 1103 CG LYS A 74 -5.138 9.486 -5.757 1.00 0.00 C ATOM 1104 CD LYS A 74 -5.607 10.921 -5.515 1.00 0.00 C ATOM 1105 CE LYS A 74 -4.393 11.850 -5.448 1.00 0.00 C ATOM 1106 NZ LYS A 74 -4.778 13.123 -4.776 1.00 0.00 N ATOM 0 H LYS A 74 -5.922 6.230 -7.488 1.00 0.00 H new ATOM 0 HA LYS A 74 -5.492 7.223 -4.685 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.500 8.593 -7.178 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.246 9.017 -5.650 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.635 9.102 -4.870 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.413 9.462 -6.570 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -6.276 11.236 -6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -6.174 10.978 -4.586 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.583 11.368 -4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -4.022 12.054 -6.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -3.953 13.755 -4.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -5.538 13.584 -5.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -5.112 12.920 -3.812 1.00 0.00 H new ATOM 1120 N LEU A 75 -7.863 6.571 -4.036 1.00 0.00 N ATOM 1121 CA LEU A 75 -9.163 5.943 -3.666 1.00 0.00 C ATOM 1122 C LEU A 75 -10.287 6.970 -3.820 1.00 0.00 C ATOM 1123 O LEU A 75 -10.069 8.162 -3.722 1.00 0.00 O ATOM 1124 CB LEU A 75 -9.102 5.465 -2.214 1.00 0.00 C ATOM 1125 CG LEU A 75 -10.335 4.615 -1.903 1.00 0.00 C ATOM 1126 CD1 LEU A 75 -10.117 3.192 -2.421 1.00 0.00 C ATOM 1127 CD2 LEU A 75 -10.560 4.578 -0.390 1.00 0.00 C ATOM 0 H LEU A 75 -7.362 7.018 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 75 -9.357 5.093 -4.320 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.195 4.883 -2.050 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -9.058 6.321 -1.540 1.00 0.00 H new ATOM 0 HG LEU A 75 -11.208 5.049 -2.390 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -10.995 2.586 -2.200 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -9.956 3.218 -3.499 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -9.244 2.757 -1.934 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -11.439 3.972 -0.168 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -9.687 4.144 0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -10.715 5.592 -0.020 1.00 0.00 H new ATOM 1139 N THR A 76 -11.487 6.519 -4.061 1.00 0.00 N ATOM 1140 CA THR A 76 -12.623 7.470 -4.220 1.00 0.00 C ATOM 1141 C THR A 76 -13.606 7.289 -3.062 1.00 0.00 C ATOM 1142 O THR A 76 -13.486 6.376 -2.270 1.00 0.00 O ATOM 1143 CB THR A 76 -13.337 7.189 -5.544 1.00 0.00 C ATOM 1144 OG1 THR A 76 -12.376 7.083 -6.585 1.00 0.00 O ATOM 1145 CG2 THR A 76 -14.306 8.331 -5.857 1.00 0.00 C ATOM 0 H THR A 76 -11.730 5.533 -4.155 1.00 0.00 H new ATOM 0 HA THR A 76 -12.246 8.493 -4.218 1.00 0.00 H new ATOM 0 HB THR A 76 -13.893 6.255 -5.465 1.00 0.00 H new ATOM 0 HG1 THR A 76 -12.031 6.166 -6.620 1.00 0.00 H new ATOM 0 HG21 THR A 76 -14.814 8.129 -6.800 1.00 0.00 H new ATOM 0 HG22 THR A 76 -15.043 8.412 -5.058 1.00 0.00 H new ATOM 0 HG23 THR A 76 -13.752 9.267 -5.936 1.00 0.00 H new ATOM 1153 N GLU A 77 -14.580 8.153 -2.957 1.00 0.00 N ATOM 1154 CA GLU A 77 -15.569 8.030 -1.851 1.00 0.00 C ATOM 1155 C GLU A 77 -16.635 7.001 -2.232 1.00 0.00 C ATOM 1156 O GLU A 77 -16.959 6.829 -3.391 1.00 0.00 O ATOM 1157 CB GLU A 77 -16.233 9.387 -1.607 1.00 0.00 C ATOM 1158 CG GLU A 77 -15.233 10.332 -0.938 1.00 0.00 C ATOM 1159 CD GLU A 77 -14.570 11.210 -2.002 1.00 0.00 C ATOM 1160 OE1 GLU A 77 -15.142 12.235 -2.335 1.00 0.00 O ATOM 1161 OE2 GLU A 77 -13.503 10.842 -2.464 1.00 0.00 O ATOM 0 H GLU A 77 -14.732 8.938 -3.590 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.060 7.706 -0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.575 9.811 -2.551 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.113 9.265 -0.975 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -15.741 10.955 -0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -14.477 9.758 -0.402 1.00 0.00 H new ATOM 1168 N GLY A 78 -17.186 6.316 -1.268 1.00 0.00 N ATOM 1169 CA GLY A 78 -18.231 5.300 -1.577 1.00 0.00 C ATOM 1170 C GLY A 78 -19.569 5.746 -0.988 1.00 0.00 C ATOM 1171 O GLY A 78 -19.701 5.936 0.206 1.00 0.00 O ATOM 0 H GLY A 78 -16.957 6.416 -0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -18.321 5.173 -2.656 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -17.945 4.332 -1.165 1.00 0.00 H new ATOM 1175 N GLY A 79 -20.566 5.914 -1.813 1.00 0.00 N ATOM 1176 CA GLY A 79 -21.896 6.347 -1.298 1.00 0.00 C ATOM 1177 C GLY A 79 -21.775 7.742 -0.681 1.00 0.00 C ATOM 1178 O GLY A 79 -20.886 8.472 -1.085 1.00 0.00 O ATOM 0 H GLY A 79 -20.517 5.770 -2.822 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -22.625 6.358 -2.108 1.00 0.00 H new ATOM 0 HA3 GLY A 79 -22.258 5.638 -0.553 1.00 0.00 H new TER 1182 GLY A 79