USER MOD reduce.3.24.130724 H: found=0, std=0, add=615, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 614 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 37 ASN : amide:sc= 0.987 K(o=0.96,f=-0.0035) USER MOD Set 1.2: A 59 ASN : amide:sc= -0.0307 X(o=0.96,f=1) USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.0516 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0.0568 USER MOD Single : A 2 MET CE :methyl -168:sc= 0 (180deg=-0.139) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 30:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.701 K(o=0.7,f=-8.1!) USER MOD Single : A 23 HIS : no HD1:sc= 0.223 K(o=0.22,f=-3.2!) USER MOD Single : A 29 GLN : amide:sc= 0.841 K(o=0.84,f=-0.011) USER MOD Single : A 33 TYR OH : rot -164:sc= 0.519 USER MOD Single : A 35 THR OG1 : rot -66:sc= 0.284 USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 180:sc= -1.33 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ -153:sc= 1.19 (180deg=0.736) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 5.639 16.886 3.290 1.00 0.00 N ATOM 2 CA SER A 1 4.393 17.387 2.659 1.00 0.00 C ATOM 3 C SER A 1 3.270 16.355 2.758 1.00 0.00 C ATOM 4 O SER A 1 3.534 15.151 2.829 1.00 0.00 O ATOM 5 CB SER A 1 4.621 17.782 1.193 1.00 0.00 C ATOM 6 OG SER A 1 3.440 18.339 0.635 1.00 0.00 O ATOM 0 H1 SER A 1 5.833 17.429 4.155 1.00 0.00 H new ATOM 0 H2 SER A 1 5.526 15.880 3.530 1.00 0.00 H new ATOM 0 H3 SER A 1 6.433 16.997 2.627 1.00 0.00 H new ATOM 0 HA SER A 1 4.094 18.280 3.208 1.00 0.00 H new ATOM 0 HB2 SER A 1 5.436 18.503 1.128 1.00 0.00 H new ATOM 0 HB3 SER A 1 4.923 16.907 0.618 1.00 0.00 H new ATOM 0 HG SER A 1 3.605 18.586 -0.299 1.00 0.00 H new ATOM 14 N MET A 2 2.013 16.817 2.739 1.00 0.00 N ATOM 15 CA MET A 2 0.789 15.994 2.681 1.00 0.00 C ATOM 16 C MET A 2 -0.093 16.311 1.452 1.00 0.00 C ATOM 17 O MET A 2 -1.239 15.866 1.366 1.00 0.00 O ATOM 18 CB MET A 2 0.036 16.111 4.020 1.00 0.00 C ATOM 19 CG MET A 2 -0.797 14.862 4.332 1.00 0.00 C ATOM 20 SD MET A 2 -1.613 14.908 5.949 1.00 0.00 S ATOM 21 CE MET A 2 -2.080 13.162 6.093 1.00 0.00 C ATOM 0 H MET A 2 1.808 17.816 2.765 1.00 0.00 H new ATOM 0 HA MET A 2 1.075 14.952 2.540 1.00 0.00 H new ATOM 0 HB2 MET A 2 0.753 16.277 4.824 1.00 0.00 H new ATOM 0 HB3 MET A 2 -0.618 16.983 3.991 1.00 0.00 H new ATOM 0 HG2 MET A 2 -1.554 14.740 3.557 1.00 0.00 H new ATOM 0 HG3 MET A 2 -0.150 13.986 4.287 1.00 0.00 H new ATOM 0 HE1 MET A 2 -2.776 13.039 6.922 1.00 0.00 H new ATOM 0 HE2 MET A 2 -2.556 12.835 5.168 1.00 0.00 H new ATOM 0 HE3 MET A 2 -1.189 12.561 6.275 1.00 0.00 H new ATOM 31 N ALA A 3 0.425 17.082 0.487 1.00 0.00 N ATOM 32 CA ALA A 3 -0.343 17.629 -0.638 1.00 0.00 C ATOM 33 C ALA A 3 -0.990 16.567 -1.556 1.00 0.00 C ATOM 34 O ALA A 3 -2.003 16.852 -2.197 1.00 0.00 O ATOM 35 CB ALA A 3 0.588 18.551 -1.435 1.00 0.00 C ATOM 0 H ALA A 3 1.409 17.348 0.467 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.191 18.175 -0.224 1.00 0.00 H new ATOM 0 HB1 ALA A 3 0.045 18.974 -2.280 1.00 0.00 H new ATOM 0 HB2 ALA A 3 0.941 19.356 -0.791 1.00 0.00 H new ATOM 0 HB3 ALA A 3 1.440 17.979 -1.801 1.00 0.00 H new ATOM 41 N ASP A 4 -0.462 15.339 -1.585 1.00 0.00 N ATOM 42 CA ASP A 4 -0.936 14.230 -2.426 1.00 0.00 C ATOM 43 C ASP A 4 -2.053 13.362 -1.804 1.00 0.00 C ATOM 44 O ASP A 4 -2.639 12.535 -2.510 1.00 0.00 O ATOM 45 CB ASP A 4 0.270 13.357 -2.818 1.00 0.00 C ATOM 46 CG ASP A 4 0.753 12.435 -1.680 1.00 0.00 C ATOM 47 OD1 ASP A 4 0.987 12.930 -0.553 1.00 0.00 O ATOM 48 OD2 ASP A 4 0.917 11.214 -1.917 1.00 0.00 O ATOM 0 H ASP A 4 0.335 15.079 -1.004 1.00 0.00 H new ATOM 0 HA ASP A 4 -1.401 14.685 -3.301 1.00 0.00 H new ATOM 0 HB2 ASP A 4 0.003 12.747 -3.681 1.00 0.00 H new ATOM 0 HB3 ASP A 4 1.092 14.003 -3.126 1.00 0.00 H new ATOM 53 N ARG A 5 -2.335 13.507 -0.499 1.00 0.00 N ATOM 54 CA ARG A 5 -3.157 12.562 0.290 1.00 0.00 C ATOM 55 C ARG A 5 -4.056 13.232 1.338 1.00 0.00 C ATOM 56 O ARG A 5 -3.883 14.411 1.641 1.00 0.00 O ATOM 57 CB ARG A 5 -2.227 11.488 0.892 1.00 0.00 C ATOM 58 CG ARG A 5 -1.230 12.021 1.937 1.00 0.00 C ATOM 59 CD ARG A 5 -0.126 10.985 2.189 1.00 0.00 C ATOM 60 NE ARG A 5 0.821 11.433 3.227 1.00 0.00 N ATOM 61 CZ ARG A 5 1.845 12.251 3.070 1.00 0.00 C ATOM 62 NH1 ARG A 5 2.184 12.770 1.927 1.00 0.00 N ATOM 63 NH2 ARG A 5 2.564 12.614 4.092 1.00 0.00 N ATOM 0 H ARG A 5 -1.995 14.296 0.051 1.00 0.00 H new ATOM 0 HA ARG A 5 -3.871 12.089 -0.384 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -2.839 10.713 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -1.669 11.014 0.084 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -0.790 12.955 1.588 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -1.751 12.243 2.868 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -0.577 10.040 2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 5 0.414 10.797 1.261 1.00 0.00 H new ATOM 0 HE ARG A 5 0.668 11.072 4.168 1.00 0.00 H new ATOM 0 HH11 ARG A 5 1.647 12.551 1.088 1.00 0.00 H new ATOM 0 HH12 ARG A 5 2.987 13.396 1.869 1.00 0.00 H new ATOM 0 HH21 ARG A 5 2.338 12.266 5.024 1.00 0.00 H new ATOM 0 HH22 ARG A 5 3.354 13.246 3.961 1.00 0.00 H new ATOM 77 N VAL A 6 -5.003 12.461 1.886 1.00 0.00 N ATOM 78 CA VAL A 6 -6.108 12.862 2.785 1.00 0.00 C ATOM 79 C VAL A 6 -7.073 13.905 2.183 1.00 0.00 C ATOM 80 O VAL A 6 -6.862 14.425 1.085 1.00 0.00 O ATOM 81 CB VAL A 6 -5.608 13.135 4.231 1.00 0.00 C ATOM 82 CG1 VAL A 6 -5.241 14.589 4.563 1.00 0.00 C ATOM 83 CG2 VAL A 6 -6.614 12.658 5.288 1.00 0.00 C ATOM 0 H VAL A 6 -5.024 11.458 1.701 1.00 0.00 H new ATOM 0 HA VAL A 6 -6.767 11.999 2.885 1.00 0.00 H new ATOM 0 HB VAL A 6 -4.684 12.558 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -4.907 14.653 5.599 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -4.441 14.922 3.902 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -6.115 15.226 4.424 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -6.223 12.869 6.283 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.561 13.181 5.151 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -6.773 11.585 5.181 1.00 0.00 H new ATOM 93 N LEU A 7 -8.189 14.152 2.874 1.00 0.00 N ATOM 94 CA LEU A 7 -9.289 15.029 2.448 1.00 0.00 C ATOM 95 C LEU A 7 -8.901 16.523 2.366 1.00 0.00 C ATOM 96 O LEU A 7 -7.858 16.952 2.873 1.00 0.00 O ATOM 97 CB LEU A 7 -10.493 14.824 3.395 1.00 0.00 C ATOM 98 CG LEU A 7 -11.076 13.398 3.439 1.00 0.00 C ATOM 99 CD1 LEU A 7 -12.235 13.353 4.434 1.00 0.00 C ATOM 100 CD2 LEU A 7 -11.602 12.933 2.078 1.00 0.00 C ATOM 0 H LEU A 7 -8.360 13.729 3.786 1.00 0.00 H new ATOM 0 HA LEU A 7 -9.553 14.745 1.429 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -10.189 15.103 4.404 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -11.285 15.511 3.099 1.00 0.00 H new ATOM 0 HG LEU A 7 -10.265 12.734 3.737 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -12.648 12.345 4.466 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -11.875 13.629 5.425 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.010 14.053 4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.001 11.923 2.168 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -12.391 13.606 1.744 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -10.789 12.939 1.352 1.00 0.00 H new ATOM 112 N ARG A 8 -9.764 17.321 1.723 1.00 0.00 N ATOM 113 CA ARG A 8 -9.641 18.783 1.539 1.00 0.00 C ATOM 114 C ARG A 8 -10.959 19.499 1.868 1.00 0.00 C ATOM 115 O ARG A 8 -12.033 18.896 1.806 1.00 0.00 O ATOM 116 CB ARG A 8 -9.204 19.094 0.092 1.00 0.00 C ATOM 117 CG ARG A 8 -7.858 18.486 -0.339 1.00 0.00 C ATOM 118 CD ARG A 8 -6.658 19.079 0.410 1.00 0.00 C ATOM 119 NE ARG A 8 -5.407 18.414 0.000 1.00 0.00 N ATOM 120 CZ ARG A 8 -4.802 17.416 0.620 1.00 0.00 C ATOM 121 NH1 ARG A 8 -5.220 16.906 1.738 1.00 0.00 N ATOM 122 NH2 ARG A 8 -3.738 16.868 0.121 1.00 0.00 N ATOM 0 H ARG A 8 -10.612 16.951 1.293 1.00 0.00 H new ATOM 0 HA ARG A 8 -8.883 19.153 2.229 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -9.978 18.737 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -9.149 20.176 -0.028 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -7.884 17.409 -0.174 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -7.723 18.642 -1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -6.590 20.148 0.209 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -6.801 18.965 1.485 1.00 0.00 H new ATOM 0 HE ARG A 8 -4.963 18.760 -0.850 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.059 17.276 2.185 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -4.710 16.135 2.169 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -3.356 17.206 -0.762 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -3.283 16.099 0.612 1.00 0.00 H new ATOM 136 N GLY A 9 -10.877 20.789 2.202 1.00 0.00 N ATOM 137 CA GLY A 9 -12.039 21.657 2.448 1.00 0.00 C ATOM 138 C GLY A 9 -12.818 22.024 1.175 1.00 0.00 C ATOM 139 O GLY A 9 -12.384 21.746 0.056 1.00 0.00 O ATOM 0 H GLY A 9 -9.985 21.272 2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -12.713 21.158 3.144 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -11.701 22.573 2.933 1.00 0.00 H new ATOM 143 N SER A 10 -13.965 22.691 1.338 1.00 0.00 N ATOM 144 CA SER A 10 -14.913 23.012 0.249 1.00 0.00 C ATOM 145 C SER A 10 -14.357 23.947 -0.841 1.00 0.00 C ATOM 146 O SER A 10 -14.906 24.003 -1.943 1.00 0.00 O ATOM 147 CB SER A 10 -16.188 23.632 0.837 1.00 0.00 C ATOM 148 OG SER A 10 -16.730 22.799 1.853 1.00 0.00 O ATOM 0 H SER A 10 -14.273 23.033 2.248 1.00 0.00 H new ATOM 0 HA SER A 10 -15.118 22.062 -0.244 1.00 0.00 H new ATOM 0 HB2 SER A 10 -15.963 24.616 1.248 1.00 0.00 H new ATOM 0 HB3 SER A 10 -16.925 23.777 0.047 1.00 0.00 H new ATOM 0 HG SER A 10 -17.541 23.212 2.217 1.00 0.00 H new ATOM 154 N ARG A 11 -13.249 24.654 -0.569 1.00 0.00 N ATOM 155 CA ARG A 11 -12.532 25.540 -1.512 1.00 0.00 C ATOM 156 C ARG A 11 -11.516 24.806 -2.411 1.00 0.00 C ATOM 157 O ARG A 11 -10.617 25.432 -2.975 1.00 0.00 O ATOM 158 CB ARG A 11 -11.913 26.733 -0.751 1.00 0.00 C ATOM 159 CG ARG A 11 -12.943 27.648 -0.056 1.00 0.00 C ATOM 160 CD ARG A 11 -13.799 28.476 -1.028 1.00 0.00 C ATOM 161 NE ARG A 11 -12.987 29.372 -1.877 1.00 0.00 N ATOM 162 CZ ARG A 11 -13.401 30.054 -2.930 1.00 0.00 C ATOM 163 NH1 ARG A 11 -14.645 30.081 -3.308 1.00 0.00 N ATOM 164 NH2 ARG A 11 -12.559 30.736 -3.646 1.00 0.00 N ATOM 0 H ARG A 11 -12.807 24.626 0.350 1.00 0.00 H new ATOM 0 HA ARG A 11 -13.270 25.928 -2.214 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -11.221 26.350 -0.001 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -11.328 27.330 -1.450 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -13.601 27.035 0.560 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -12.417 28.326 0.616 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -14.375 27.803 -1.663 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -14.515 29.070 -0.460 1.00 0.00 H new ATOM 0 HE ARG A 11 -12.004 29.475 -1.624 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -15.349 29.561 -2.784 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -14.917 30.622 -4.128 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -11.570 30.748 -3.397 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -12.887 31.260 -4.458 1.00 0.00 H new ATOM 178 N LEU A 12 -11.663 23.487 -2.580 1.00 0.00 N ATOM 179 CA LEU A 12 -10.798 22.629 -3.410 1.00 0.00 C ATOM 180 C LEU A 12 -10.869 22.887 -4.936 1.00 0.00 C ATOM 181 O LEU A 12 -10.056 22.343 -5.687 1.00 0.00 O ATOM 182 CB LEU A 12 -11.006 21.149 -3.010 1.00 0.00 C ATOM 183 CG LEU A 12 -12.438 20.572 -3.084 1.00 0.00 C ATOM 184 CD1 LEU A 12 -12.979 20.453 -4.508 1.00 0.00 C ATOM 185 CD2 LEU A 12 -12.453 19.173 -2.466 1.00 0.00 C ATOM 0 H LEU A 12 -12.414 22.965 -2.128 1.00 0.00 H new ATOM 0 HA LEU A 12 -9.768 22.909 -3.190 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -10.366 20.538 -3.647 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -10.649 21.026 -1.988 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.074 21.272 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -13.988 20.041 -4.481 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -13.002 21.439 -4.972 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -12.333 19.794 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -13.462 18.764 -2.517 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.770 18.525 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.137 19.232 -1.424 1.00 0.00 H new ATOM 197 N GLY A 13 -11.784 23.752 -5.396 1.00 0.00 N ATOM 198 CA GLY A 13 -11.852 24.255 -6.776 1.00 0.00 C ATOM 199 C GLY A 13 -12.466 23.291 -7.805 1.00 0.00 C ATOM 200 O GLY A 13 -12.926 22.194 -7.478 1.00 0.00 O ATOM 0 H GLY A 13 -12.519 24.133 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -12.431 25.178 -6.779 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -10.843 24.510 -7.101 1.00 0.00 H new ATOM 204 N ALA A 14 -12.491 23.725 -9.068 1.00 0.00 N ATOM 205 CA ALA A 14 -13.037 22.962 -10.193 1.00 0.00 C ATOM 206 C ALA A 14 -12.067 21.875 -10.709 1.00 0.00 C ATOM 207 O ALA A 14 -10.848 21.959 -10.523 1.00 0.00 O ATOM 208 CB ALA A 14 -13.450 23.947 -11.293 1.00 0.00 C ATOM 0 H ALA A 14 -12.124 24.636 -9.343 1.00 0.00 H new ATOM 0 HA ALA A 14 -13.914 22.410 -9.853 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.859 23.396 -12.140 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -14.206 24.630 -10.905 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -12.579 24.516 -11.617 1.00 0.00 H new ATOM 214 N VAL A 15 -12.608 20.852 -11.384 1.00 0.00 N ATOM 215 CA VAL A 15 -11.840 19.704 -11.908 1.00 0.00 C ATOM 216 C VAL A 15 -10.969 20.115 -13.098 1.00 0.00 C ATOM 217 O VAL A 15 -11.403 20.872 -13.971 1.00 0.00 O ATOM 218 CB VAL A 15 -12.770 18.523 -12.268 1.00 0.00 C ATOM 219 CG1 VAL A 15 -11.992 17.286 -12.743 1.00 0.00 C ATOM 220 CG2 VAL A 15 -13.612 18.086 -11.060 1.00 0.00 C ATOM 0 H VAL A 15 -13.606 20.794 -11.587 1.00 0.00 H new ATOM 0 HA VAL A 15 -11.173 19.364 -11.116 1.00 0.00 H new ATOM 0 HB VAL A 15 -13.405 18.892 -13.073 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -12.692 16.486 -12.983 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -11.412 17.539 -13.631 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -11.319 16.954 -11.953 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -14.255 17.254 -11.347 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -12.952 17.773 -10.251 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -14.227 18.921 -10.724 1.00 0.00 H new ATOM 230 N SER A 16 -9.740 19.601 -13.126 1.00 0.00 N ATOM 231 CA SER A 16 -8.716 19.884 -14.139 1.00 0.00 C ATOM 232 C SER A 16 -8.213 18.596 -14.805 1.00 0.00 C ATOM 233 O SER A 16 -8.191 17.531 -14.183 1.00 0.00 O ATOM 234 CB SER A 16 -7.551 20.645 -13.499 1.00 0.00 C ATOM 235 OG SER A 16 -7.973 21.906 -13.000 1.00 0.00 O ATOM 0 H SER A 16 -9.414 18.948 -12.414 1.00 0.00 H new ATOM 0 HA SER A 16 -9.167 20.501 -14.916 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.129 20.053 -12.687 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.759 20.788 -14.234 1.00 0.00 H new ATOM 0 HG SER A 16 -7.210 22.370 -12.595 1.00 0.00 H new ATOM 241 N TYR A 17 -7.812 18.698 -16.075 1.00 0.00 N ATOM 242 CA TYR A 17 -7.583 17.554 -16.974 1.00 0.00 C ATOM 243 C TYR A 17 -6.227 17.381 -17.638 1.00 0.00 C ATOM 244 O TYR A 17 -5.934 16.291 -18.126 1.00 0.00 O ATOM 245 CB TYR A 17 -8.696 17.490 -18.030 1.00 0.00 C ATOM 246 CG TYR A 17 -10.090 17.832 -17.531 1.00 0.00 C ATOM 247 CD1 TYR A 17 -10.908 16.843 -16.948 1.00 0.00 C ATOM 248 CD2 TYR A 17 -10.547 19.163 -17.610 1.00 0.00 C ATOM 249 CE1 TYR A 17 -12.179 17.187 -16.445 1.00 0.00 C ATOM 250 CE2 TYR A 17 -11.812 19.512 -17.101 1.00 0.00 C ATOM 251 CZ TYR A 17 -12.632 18.525 -16.514 1.00 0.00 C ATOM 252 OH TYR A 17 -13.851 18.868 -16.015 1.00 0.00 O ATOM 0 H TYR A 17 -7.632 19.598 -16.521 1.00 0.00 H new ATOM 0 HA TYR A 17 -7.599 16.714 -16.279 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -8.442 18.171 -18.842 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -8.716 16.485 -18.451 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -10.561 15.822 -16.887 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -9.923 19.919 -18.063 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -12.808 16.427 -16.006 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -12.155 20.534 -17.160 1.00 0.00 H new ATOM 0 HH TYR A 17 -14.076 18.276 -15.267 1.00 0.00 H new ATOM 262 N GLU A 18 -5.297 18.313 -17.648 1.00 0.00 N ATOM 263 CA GLU A 18 -5.315 19.749 -17.304 1.00 0.00 C ATOM 264 C GLU A 18 -6.400 20.522 -18.064 1.00 0.00 C ATOM 265 O GLU A 18 -7.212 21.232 -17.471 1.00 0.00 O ATOM 266 CB GLU A 18 -3.931 20.373 -17.559 1.00 0.00 C ATOM 267 CG GLU A 18 -2.850 19.802 -16.632 1.00 0.00 C ATOM 268 CD GLU A 18 -1.494 20.493 -16.872 1.00 0.00 C ATOM 269 OE1 GLU A 18 -1.206 21.524 -16.215 1.00 0.00 O ATOM 270 OE2 GLU A 18 -0.698 20.009 -17.715 1.00 0.00 O ATOM 0 H GLU A 18 -4.356 18.052 -17.943 1.00 0.00 H new ATOM 0 HA GLU A 18 -5.557 19.824 -16.244 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -3.644 20.201 -18.596 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -3.991 21.452 -17.420 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -3.150 19.934 -15.593 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -2.751 18.730 -16.801 1.00 0.00 H new ATOM 277 N THR A 19 -6.477 20.244 -19.356 1.00 0.00 N ATOM 278 CA THR A 19 -7.576 20.585 -20.283 1.00 0.00 C ATOM 279 C THR A 19 -7.806 19.467 -21.308 1.00 0.00 C ATOM 280 O THR A 19 -6.908 18.670 -21.593 1.00 0.00 O ATOM 281 CB THR A 19 -7.359 21.924 -21.015 1.00 0.00 C ATOM 282 OG1 THR A 19 -6.066 22.017 -21.581 1.00 0.00 O ATOM 283 CG2 THR A 19 -7.568 23.126 -20.091 1.00 0.00 C ATOM 0 H THR A 19 -5.728 19.739 -19.830 1.00 0.00 H new ATOM 0 HA THR A 19 -8.464 20.695 -19.660 1.00 0.00 H new ATOM 0 HB THR A 19 -8.105 21.945 -21.810 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.970 22.879 -22.037 1.00 0.00 H new ATOM 0 HG21 THR A 19 -7.405 24.047 -20.650 1.00 0.00 H new ATOM 0 HG22 THR A 19 -8.586 23.113 -19.702 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.862 23.075 -19.262 1.00 0.00 H new ATOM 291 N ASP A 20 -9.026 19.380 -21.845 1.00 0.00 N ATOM 292 CA ASP A 20 -9.467 18.344 -22.791 1.00 0.00 C ATOM 293 C ASP A 20 -10.514 18.897 -23.787 1.00 0.00 C ATOM 294 O ASP A 20 -11.085 19.972 -23.565 1.00 0.00 O ATOM 295 CB ASP A 20 -10.019 17.150 -21.983 1.00 0.00 C ATOM 296 CG ASP A 20 -10.293 15.894 -22.831 1.00 0.00 C ATOM 297 OD1 ASP A 20 -9.636 15.710 -23.883 1.00 0.00 O ATOM 298 OD2 ASP A 20 -11.162 15.079 -22.437 1.00 0.00 O ATOM 0 H ASP A 20 -9.762 20.052 -21.627 1.00 0.00 H new ATOM 0 HA ASP A 20 -8.621 18.012 -23.393 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -9.308 16.897 -21.196 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -10.944 17.453 -21.492 1.00 0.00 H new ATOM 303 N ARG A 21 -10.775 18.174 -24.887 1.00 0.00 N ATOM 304 CA ARG A 21 -11.775 18.547 -25.908 1.00 0.00 C ATOM 305 C ARG A 21 -13.201 18.619 -25.339 1.00 0.00 C ATOM 306 O ARG A 21 -13.569 17.857 -24.442 1.00 0.00 O ATOM 307 CB ARG A 21 -11.682 17.632 -27.147 1.00 0.00 C ATOM 308 CG ARG A 21 -11.913 16.138 -26.852 1.00 0.00 C ATOM 309 CD ARG A 21 -11.833 15.268 -28.115 1.00 0.00 C ATOM 310 NE ARG A 21 -13.040 15.395 -28.959 1.00 0.00 N ATOM 311 CZ ARG A 21 -13.147 15.940 -30.160 1.00 0.00 C ATOM 312 NH1 ARG A 21 -12.145 16.508 -30.766 1.00 0.00 N ATOM 313 NH2 ARG A 21 -14.289 15.921 -30.781 1.00 0.00 N ATOM 0 H ARG A 21 -10.292 17.301 -25.098 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.534 19.558 -26.235 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -12.415 17.962 -27.883 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -10.698 17.753 -27.600 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.171 15.795 -26.131 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.891 16.010 -26.388 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -10.955 15.552 -28.695 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -11.701 14.225 -27.828 1.00 0.00 H new ATOM 0 HE ARG A 21 -13.900 15.014 -28.565 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -11.231 16.546 -30.315 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -12.274 16.915 -31.692 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -15.101 15.486 -30.342 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -14.373 16.341 -31.707 1.00 0.00 H new ATOM 327 N ASN A 22 -13.997 19.543 -25.874 1.00 0.00 N ATOM 328 CA ASN A 22 -15.370 19.843 -25.451 1.00 0.00 C ATOM 329 C ASN A 22 -16.221 20.259 -26.669 1.00 0.00 C ATOM 330 O ASN A 22 -17.043 19.482 -27.157 1.00 0.00 O ATOM 331 CB ASN A 22 -15.349 20.867 -24.288 1.00 0.00 C ATOM 332 CG ASN A 22 -14.486 22.122 -24.448 1.00 0.00 C ATOM 333 OD1 ASN A 22 -13.948 22.455 -25.498 1.00 0.00 O ATOM 334 ND2 ASN A 22 -14.341 22.885 -23.390 1.00 0.00 N ATOM 0 H ASN A 22 -13.692 20.131 -26.649 1.00 0.00 H new ATOM 0 HA ASN A 22 -15.857 18.954 -25.050 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -16.375 21.188 -24.108 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -15.016 20.346 -23.390 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -13.788 23.740 -23.450 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -14.782 22.623 -22.508 1.00 0.00 H new ATOM 341 N HIS A 23 -15.924 21.431 -27.230 1.00 0.00 N ATOM 342 CA HIS A 23 -15.997 21.697 -28.670 1.00 0.00 C ATOM 343 C HIS A 23 -14.752 21.096 -29.354 1.00 0.00 C ATOM 344 O HIS A 23 -13.765 20.768 -28.684 1.00 0.00 O ATOM 345 CB HIS A 23 -16.143 23.217 -28.853 1.00 0.00 C ATOM 346 CG HIS A 23 -16.062 23.731 -30.269 1.00 0.00 C ATOM 347 ND1 HIS A 23 -16.693 23.199 -31.398 1.00 0.00 N ATOM 348 CD2 HIS A 23 -15.382 24.852 -30.634 1.00 0.00 C ATOM 349 CE1 HIS A 23 -16.369 24.019 -32.416 1.00 0.00 C ATOM 350 NE2 HIS A 23 -15.582 25.023 -31.986 1.00 0.00 N ATOM 0 H HIS A 23 -15.620 22.239 -26.687 1.00 0.00 H new ATOM 0 HA HIS A 23 -16.858 21.226 -29.144 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -17.102 23.522 -28.433 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -15.367 23.708 -28.266 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -14.796 25.487 -29.986 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -16.696 23.889 -33.437 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -15.202 25.776 -32.559 1.00 0.00 H new ATOM 358 N ASP A 24 -14.790 20.929 -30.673 1.00 0.00 N ATOM 359 CA ASP A 24 -13.752 20.247 -31.458 1.00 0.00 C ATOM 360 C ASP A 24 -12.528 21.139 -31.771 1.00 0.00 C ATOM 361 O ASP A 24 -12.465 22.309 -31.375 1.00 0.00 O ATOM 362 CB ASP A 24 -14.398 19.667 -32.735 1.00 0.00 C ATOM 363 CG ASP A 24 -13.864 18.261 -33.045 1.00 0.00 C ATOM 364 OD1 ASP A 24 -12.629 18.058 -33.042 1.00 0.00 O ATOM 365 OD2 ASP A 24 -14.674 17.316 -33.181 1.00 0.00 O ATOM 0 H ASP A 24 -15.562 21.271 -31.245 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.345 19.436 -30.854 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -15.480 19.628 -32.611 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.198 20.328 -33.578 1.00 0.00 H new ATOM 370 N LEU A 25 -11.548 20.599 -32.504 1.00 0.00 N ATOM 371 CA LEU A 25 -10.378 21.316 -33.030 1.00 0.00 C ATOM 372 C LEU A 25 -10.802 22.204 -34.221 1.00 0.00 C ATOM 373 O LEU A 25 -10.522 21.933 -35.392 1.00 0.00 O ATOM 374 CB LEU A 25 -9.258 20.322 -33.388 1.00 0.00 C ATOM 375 CG LEU A 25 -8.482 19.720 -32.198 1.00 0.00 C ATOM 376 CD1 LEU A 25 -9.295 18.738 -31.348 1.00 0.00 C ATOM 377 CD2 LEU A 25 -7.263 18.960 -32.726 1.00 0.00 C ATOM 0 H LEU A 25 -11.547 19.611 -32.758 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.971 21.978 -32.265 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.695 19.505 -33.962 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -8.547 20.827 -34.042 1.00 0.00 H new ATOM 0 HG LEU A 25 -8.214 20.565 -31.563 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -8.675 18.362 -30.534 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.166 19.248 -30.936 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.623 17.904 -31.969 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.711 18.532 -31.889 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -7.592 18.161 -33.390 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -6.617 19.645 -33.275 1.00 0.00 H new ATOM 389 N ALA A 26 -11.548 23.248 -33.881 1.00 0.00 N ATOM 390 CA ALA A 26 -12.311 24.141 -34.750 1.00 0.00 C ATOM 391 C ALA A 26 -12.392 25.558 -34.126 1.00 0.00 C ATOM 392 O ALA A 26 -12.176 25.699 -32.914 1.00 0.00 O ATOM 393 CB ALA A 26 -13.701 23.505 -34.921 1.00 0.00 C ATOM 0 H ALA A 26 -11.644 23.517 -32.902 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.835 24.263 -35.723 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -14.313 24.136 -35.565 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -13.597 22.519 -35.373 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -14.180 23.409 -33.946 1.00 0.00 H new ATOM 399 N PRO A 27 -12.700 26.615 -34.908 1.00 0.00 N ATOM 400 CA PRO A 27 -12.744 27.998 -34.431 1.00 0.00 C ATOM 401 C PRO A 27 -13.679 28.193 -33.231 1.00 0.00 C ATOM 402 O PRO A 27 -14.809 27.691 -33.184 1.00 0.00 O ATOM 403 CB PRO A 27 -13.142 28.864 -35.634 1.00 0.00 C ATOM 404 CG PRO A 27 -13.771 27.869 -36.606 1.00 0.00 C ATOM 405 CD PRO A 27 -12.950 26.612 -36.338 1.00 0.00 C ATOM 0 HA PRO A 27 -11.767 28.293 -34.050 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -13.847 29.645 -35.349 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -12.277 29.360 -36.073 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -14.831 27.716 -36.405 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -13.687 28.200 -37.641 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -13.492 25.716 -36.641 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.016 26.625 -36.900 1.00 0.00 H new ATOM 413 N ARG A 28 -13.146 28.906 -32.236 1.00 0.00 N ATOM 414 CA ARG A 28 -13.796 29.253 -30.964 1.00 0.00 C ATOM 415 C ARG A 28 -13.492 30.674 -30.462 1.00 0.00 C ATOM 416 O ARG A 28 -12.615 31.359 -30.986 1.00 0.00 O ATOM 417 CB ARG A 28 -13.489 28.146 -29.946 1.00 0.00 C ATOM 418 CG ARG A 28 -12.021 28.034 -29.521 1.00 0.00 C ATOM 419 CD ARG A 28 -11.846 26.970 -28.428 1.00 0.00 C ATOM 420 NE ARG A 28 -12.049 25.595 -28.935 1.00 0.00 N ATOM 421 CZ ARG A 28 -12.379 24.527 -28.226 1.00 0.00 C ATOM 422 NH1 ARG A 28 -12.568 24.564 -26.938 1.00 0.00 N ATOM 423 NH2 ARG A 28 -12.541 23.378 -28.805 1.00 0.00 N ATOM 0 H ARG A 28 -12.198 29.278 -32.297 1.00 0.00 H new ATOM 0 HA ARG A 28 -14.873 29.295 -31.124 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -14.095 28.315 -29.056 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -13.802 27.191 -30.368 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -11.407 27.778 -30.384 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -11.670 28.999 -29.155 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.846 27.052 -28.003 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -12.553 27.164 -27.621 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.921 25.455 -29.937 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -12.463 25.443 -26.432 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -12.821 23.714 -26.435 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -12.414 23.293 -29.813 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -12.795 22.560 -28.252 1.00 0.00 H new ATOM 437 N GLN A 29 -14.230 31.096 -29.435 1.00 0.00 N ATOM 438 CA GLN A 29 -14.212 32.415 -28.793 1.00 0.00 C ATOM 439 C GLN A 29 -14.179 32.237 -27.272 1.00 0.00 C ATOM 440 O GLN A 29 -15.189 31.918 -26.644 1.00 0.00 O ATOM 441 CB GLN A 29 -15.477 33.221 -29.150 1.00 0.00 C ATOM 442 CG GLN A 29 -15.747 33.396 -30.654 1.00 0.00 C ATOM 443 CD GLN A 29 -17.141 32.910 -31.022 1.00 0.00 C ATOM 444 OE1 GLN A 29 -17.955 33.616 -31.602 1.00 0.00 O ATOM 445 NE2 GLN A 29 -17.441 31.678 -30.683 1.00 0.00 N ATOM 0 H GLN A 29 -14.910 30.477 -28.994 1.00 0.00 H new ATOM 0 HA GLN A 29 -13.330 32.950 -29.145 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -16.339 32.730 -28.698 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -15.398 34.208 -28.695 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -15.642 34.446 -30.925 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.003 32.843 -31.227 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -16.753 31.100 -30.200 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -18.362 31.298 -30.903 1.00 0.00 H new ATOM 454 N ILE A 30 -13.022 32.439 -26.663 1.00 0.00 N ATOM 455 CA ILE A 30 -12.875 32.475 -25.215 1.00 0.00 C ATOM 456 C ILE A 30 -13.359 33.837 -24.708 1.00 0.00 C ATOM 457 O ILE A 30 -12.729 34.874 -24.931 1.00 0.00 O ATOM 458 CB ILE A 30 -11.432 32.132 -24.804 1.00 0.00 C ATOM 459 CG1 ILE A 30 -11.041 30.660 -25.077 1.00 0.00 C ATOM 460 CG2 ILE A 30 -11.258 32.344 -23.289 1.00 0.00 C ATOM 461 CD1 ILE A 30 -11.286 30.045 -26.461 1.00 0.00 C ATOM 0 H ILE A 30 -12.147 32.585 -27.166 1.00 0.00 H new ATOM 0 HA ILE A 30 -13.494 31.712 -24.743 1.00 0.00 H new ATOM 0 HB ILE A 30 -10.799 32.786 -25.403 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -9.977 30.562 -24.863 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -11.570 30.044 -24.350 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -10.235 32.100 -23.003 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -11.466 33.385 -23.041 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -11.950 31.697 -22.749 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -10.949 29.008 -26.463 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -12.351 30.081 -26.692 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -10.732 30.608 -27.212 1.00 0.00 H new ATOM 473 N ALA A 31 -14.492 33.820 -24.019 1.00 0.00 N ATOM 474 CA ALA A 31 -14.941 34.911 -23.161 1.00 0.00 C ATOM 475 C ALA A 31 -14.560 34.625 -21.698 1.00 0.00 C ATOM 476 O ALA A 31 -14.319 33.479 -21.312 1.00 0.00 O ATOM 477 CB ALA A 31 -16.449 35.092 -23.349 1.00 0.00 C ATOM 0 H ALA A 31 -15.139 33.032 -24.041 1.00 0.00 H new ATOM 0 HA ALA A 31 -14.449 35.844 -23.435 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -16.800 35.905 -22.713 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -16.660 35.330 -24.392 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -16.963 34.170 -23.076 1.00 0.00 H new ATOM 483 N ARG A 32 -14.523 35.667 -20.867 1.00 0.00 N ATOM 484 CA ARG A 32 -14.386 35.560 -19.407 1.00 0.00 C ATOM 485 C ARG A 32 -15.653 36.047 -18.722 1.00 0.00 C ATOM 486 O ARG A 32 -16.372 36.886 -19.268 1.00 0.00 O ATOM 487 CB ARG A 32 -13.140 36.324 -18.926 1.00 0.00 C ATOM 488 CG ARG A 32 -11.895 35.432 -18.936 1.00 0.00 C ATOM 489 CD ARG A 32 -10.605 36.256 -18.938 1.00 0.00 C ATOM 490 NE ARG A 32 -10.343 36.955 -17.662 1.00 0.00 N ATOM 491 CZ ARG A 32 -9.178 37.434 -17.262 1.00 0.00 C ATOM 492 NH1 ARG A 32 -8.078 37.266 -17.942 1.00 0.00 N ATOM 493 NH2 ARG A 32 -9.099 38.113 -16.160 1.00 0.00 N ATOM 0 H ARG A 32 -14.589 36.631 -21.193 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.249 34.513 -19.137 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.973 37.190 -19.567 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -13.310 36.701 -17.918 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -11.908 34.780 -18.063 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -11.916 34.788 -19.815 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.765 35.598 -19.161 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.656 36.991 -19.741 1.00 0.00 H new ATOM 0 HE ARG A 32 -11.135 37.079 -17.032 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -8.095 36.747 -18.820 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -7.200 37.653 -17.596 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -9.936 38.278 -15.601 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -8.200 38.482 -15.852 1.00 0.00 H new ATOM 507 N TYR A 33 -15.884 35.564 -17.503 1.00 0.00 N ATOM 508 CA TYR A 33 -16.987 36.002 -16.650 1.00 0.00 C ATOM 509 C TYR A 33 -16.569 36.059 -15.172 1.00 0.00 C ATOM 510 O TYR A 33 -15.837 35.189 -14.698 1.00 0.00 O ATOM 511 CB TYR A 33 -18.194 35.074 -16.816 1.00 0.00 C ATOM 512 CG TYR A 33 -18.810 35.009 -18.195 1.00 0.00 C ATOM 513 CD1 TYR A 33 -18.234 34.210 -19.201 1.00 0.00 C ATOM 514 CD2 TYR A 33 -19.991 35.719 -18.457 1.00 0.00 C ATOM 515 CE1 TYR A 33 -18.862 34.106 -20.456 1.00 0.00 C ATOM 516 CE2 TYR A 33 -20.611 35.628 -19.713 1.00 0.00 C ATOM 517 CZ TYR A 33 -20.070 34.787 -20.701 1.00 0.00 C ATOM 518 OH TYR A 33 -20.752 34.601 -21.857 1.00 0.00 O ATOM 0 H TYR A 33 -15.301 34.846 -17.073 1.00 0.00 H new ATOM 0 HA TYR A 33 -17.264 37.009 -16.963 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -17.892 34.067 -16.529 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -18.965 35.388 -16.112 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -17.313 33.679 -19.010 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -20.426 36.340 -17.688 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -18.417 33.503 -21.233 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -21.502 36.203 -19.920 1.00 0.00 H new ATOM 0 HH TYR A 33 -21.408 35.321 -21.969 1.00 0.00 H new ATOM 528 N ARG A 34 -17.050 37.078 -14.447 1.00 0.00 N ATOM 529 CA ARG A 34 -16.780 37.335 -13.024 1.00 0.00 C ATOM 530 C ARG A 34 -17.998 37.017 -12.159 1.00 0.00 C ATOM 531 O ARG A 34 -19.073 37.565 -12.389 1.00 0.00 O ATOM 532 CB ARG A 34 -16.324 38.795 -12.856 1.00 0.00 C ATOM 533 CG ARG A 34 -15.908 39.093 -11.406 1.00 0.00 C ATOM 534 CD ARG A 34 -14.884 40.228 -11.314 1.00 0.00 C ATOM 535 NE ARG A 34 -15.385 41.508 -11.849 1.00 0.00 N ATOM 536 CZ ARG A 34 -14.734 42.353 -12.632 1.00 0.00 C ATOM 537 NH1 ARG A 34 -13.563 42.102 -13.147 1.00 0.00 N ATOM 538 NH2 ARG A 34 -15.269 43.504 -12.926 1.00 0.00 N ATOM 0 H ARG A 34 -17.668 37.780 -14.855 1.00 0.00 H new ATOM 0 HA ARG A 34 -15.982 36.675 -12.684 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -15.486 38.995 -13.524 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -17.132 39.465 -13.149 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -16.791 39.356 -10.824 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -15.489 38.192 -10.959 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -14.596 40.365 -10.272 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.984 39.942 -11.858 1.00 0.00 H new ATOM 0 HE ARG A 34 -16.335 41.770 -11.587 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -13.100 41.214 -12.953 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -13.110 42.794 -13.744 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -16.186 43.750 -12.553 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.771 44.159 -13.529 1.00 0.00 H new ATOM 552 N THR A 35 -17.822 36.141 -11.175 1.00 0.00 N ATOM 553 CA THR A 35 -18.868 35.688 -10.241 1.00 0.00 C ATOM 554 C THR A 35 -19.148 36.730 -9.160 1.00 0.00 C ATOM 555 O THR A 35 -18.479 37.762 -9.064 1.00 0.00 O ATOM 556 CB THR A 35 -18.503 34.371 -9.551 1.00 0.00 C ATOM 557 OG1 THR A 35 -17.363 34.549 -8.763 1.00 0.00 O ATOM 558 CG2 THR A 35 -18.263 33.226 -10.515 1.00 0.00 C ATOM 0 H THR A 35 -16.917 35.707 -10.993 1.00 0.00 H new ATOM 0 HA THR A 35 -19.758 35.537 -10.852 1.00 0.00 H new ATOM 0 HB THR A 35 -19.364 34.099 -8.940 1.00 0.00 H new ATOM 0 HG1 THR A 35 -16.595 34.745 -9.339 1.00 0.00 H new ATOM 0 HG21 THR A 35 -18.009 32.326 -9.955 1.00 0.00 H new ATOM 0 HG22 THR A 35 -19.165 33.047 -11.099 1.00 0.00 H new ATOM 0 HG23 THR A 35 -17.441 33.480 -11.185 1.00 0.00 H new ATOM 566 N ASP A 36 -20.108 36.433 -8.282 1.00 0.00 N ATOM 567 CA ASP A 36 -20.511 37.351 -7.222 1.00 0.00 C ATOM 568 C ASP A 36 -19.478 37.491 -6.086 1.00 0.00 C ATOM 569 O ASP A 36 -19.522 38.482 -5.353 1.00 0.00 O ATOM 570 CB ASP A 36 -21.896 36.932 -6.703 1.00 0.00 C ATOM 571 CG ASP A 36 -22.525 37.986 -5.775 1.00 0.00 C ATOM 572 OD1 ASP A 36 -22.836 39.105 -6.253 1.00 0.00 O ATOM 573 OD2 ASP A 36 -22.751 37.690 -4.577 1.00 0.00 O ATOM 0 H ASP A 36 -20.624 35.553 -8.288 1.00 0.00 H new ATOM 0 HA ASP A 36 -20.567 38.351 -7.651 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -22.559 36.757 -7.550 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -21.808 35.987 -6.166 1.00 0.00 H new ATOM 578 N ASN A 37 -18.500 36.575 -5.971 1.00 0.00 N ATOM 579 CA ASN A 37 -17.379 36.752 -5.031 1.00 0.00 C ATOM 580 C ASN A 37 -16.162 37.464 -5.672 1.00 0.00 C ATOM 581 O ASN A 37 -15.108 37.579 -5.042 1.00 0.00 O ATOM 582 CB ASN A 37 -16.978 35.428 -4.365 1.00 0.00 C ATOM 583 CG ASN A 37 -18.100 34.465 -4.027 1.00 0.00 C ATOM 584 OD1 ASN A 37 -19.167 34.819 -3.545 1.00 0.00 O ATOM 585 ND2 ASN A 37 -17.858 33.197 -4.254 1.00 0.00 N ATOM 0 H ASN A 37 -18.463 35.711 -6.513 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.742 37.416 -4.246 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.277 34.915 -5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.440 35.659 -3.445 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -18.563 32.495 -4.028 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -16.965 32.912 -4.656 1.00 0.00 H new ATOM 592 N GLY A 38 -16.275 37.894 -6.936 1.00 0.00 N ATOM 593 CA GLY A 38 -15.166 38.388 -7.764 1.00 0.00 C ATOM 594 C GLY A 38 -14.345 37.295 -8.446 1.00 0.00 C ATOM 595 O GLY A 38 -13.327 37.600 -9.070 1.00 0.00 O ATOM 0 H GLY A 38 -17.169 37.908 -7.426 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -15.569 39.052 -8.529 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -14.502 38.986 -7.140 1.00 0.00 H new ATOM 599 N GLU A 39 -14.751 36.030 -8.332 1.00 0.00 N ATOM 600 CA GLU A 39 -14.011 34.897 -8.902 1.00 0.00 C ATOM 601 C GLU A 39 -14.205 34.896 -10.421 1.00 0.00 C ATOM 602 O GLU A 39 -15.336 34.800 -10.894 1.00 0.00 O ATOM 603 CB GLU A 39 -14.442 33.545 -8.290 1.00 0.00 C ATOM 604 CG GLU A 39 -14.801 33.637 -6.801 1.00 0.00 C ATOM 605 CD GLU A 39 -14.546 32.374 -5.972 1.00 0.00 C ATOM 606 OE1 GLU A 39 -13.458 31.762 -6.060 1.00 0.00 O ATOM 607 OE2 GLU A 39 -15.416 32.036 -5.135 1.00 0.00 O ATOM 0 H GLU A 39 -15.603 35.759 -7.842 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.955 35.018 -8.661 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -15.302 33.163 -8.840 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -13.635 32.823 -8.418 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -14.235 34.458 -6.361 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.856 33.897 -6.717 1.00 0.00 H new ATOM 614 N GLU A 40 -13.127 35.004 -11.192 1.00 0.00 N ATOM 615 CA GLU A 40 -13.196 35.047 -12.659 1.00 0.00 C ATOM 616 C GLU A 40 -12.812 33.704 -13.290 1.00 0.00 C ATOM 617 O GLU A 40 -11.786 33.102 -12.956 1.00 0.00 O ATOM 618 CB GLU A 40 -12.288 36.147 -13.230 1.00 0.00 C ATOM 619 CG GLU A 40 -12.980 37.510 -13.203 1.00 0.00 C ATOM 620 CD GLU A 40 -12.121 38.616 -13.841 1.00 0.00 C ATOM 621 OE1 GLU A 40 -11.520 38.377 -14.917 1.00 0.00 O ATOM 622 OE2 GLU A 40 -12.066 39.738 -13.285 1.00 0.00 O ATOM 0 H GLU A 40 -12.178 35.065 -10.823 1.00 0.00 H new ATOM 0 HA GLU A 40 -14.233 35.268 -12.910 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -11.364 36.195 -12.653 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -12.012 35.898 -14.254 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -13.931 37.442 -13.731 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -13.207 37.779 -12.171 1.00 0.00 H new ATOM 629 N PHE A 41 -13.645 33.267 -14.238 1.00 0.00 N ATOM 630 CA PHE A 41 -13.487 32.042 -15.024 1.00 0.00 C ATOM 631 C PHE A 41 -13.563 32.328 -16.528 1.00 0.00 C ATOM 632 O PHE A 41 -14.058 33.372 -16.958 1.00 0.00 O ATOM 633 CB PHE A 41 -14.557 31.023 -14.609 1.00 0.00 C ATOM 634 CG PHE A 41 -14.422 30.530 -13.178 1.00 0.00 C ATOM 635 CD1 PHE A 41 -14.945 31.273 -12.099 1.00 0.00 C ATOM 636 CD2 PHE A 41 -13.737 29.325 -12.925 1.00 0.00 C ATOM 637 CE1 PHE A 41 -14.743 30.823 -10.788 1.00 0.00 C ATOM 638 CE2 PHE A 41 -13.536 28.881 -11.607 1.00 0.00 C ATOM 639 CZ PHE A 41 -14.027 29.640 -10.535 1.00 0.00 C ATOM 0 H PHE A 41 -14.488 33.783 -14.490 1.00 0.00 H new ATOM 0 HA PHE A 41 -12.499 31.627 -14.823 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -15.541 31.474 -14.735 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -14.509 30.167 -15.283 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -15.497 32.183 -12.282 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -13.363 28.738 -13.751 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -15.142 31.392 -9.961 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -13.006 27.959 -11.420 1.00 0.00 H new ATOM 0 HZ PHE A 41 -13.856 29.317 -9.519 1.00 0.00 H new ATOM 649 N GLU A 42 -13.096 31.378 -17.336 1.00 0.00 N ATOM 650 CA GLU A 42 -13.091 31.445 -18.796 1.00 0.00 C ATOM 651 C GLU A 42 -14.104 30.450 -19.374 1.00 0.00 C ATOM 652 O GLU A 42 -14.144 29.285 -18.969 1.00 0.00 O ATOM 653 CB GLU A 42 -11.689 31.175 -19.375 1.00 0.00 C ATOM 654 CG GLU A 42 -10.531 31.913 -18.684 1.00 0.00 C ATOM 655 CD GLU A 42 -9.801 31.015 -17.662 1.00 0.00 C ATOM 656 OE1 GLU A 42 -8.859 30.285 -18.058 1.00 0.00 O ATOM 657 OE2 GLU A 42 -10.152 31.036 -16.458 1.00 0.00 O ATOM 0 H GLU A 42 -12.697 30.510 -16.979 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.377 32.457 -19.082 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -11.495 30.104 -19.324 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -11.692 31.449 -20.430 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.821 32.258 -19.436 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -10.916 32.799 -18.179 1.00 0.00 H new ATOM 664 N VAL A 43 -14.900 30.901 -20.344 1.00 0.00 N ATOM 665 CA VAL A 43 -15.885 30.080 -21.064 1.00 0.00 C ATOM 666 C VAL A 43 -15.570 30.096 -22.570 1.00 0.00 C ATOM 667 O VAL A 43 -15.739 31.135 -23.217 1.00 0.00 O ATOM 668 CB VAL A 43 -17.329 30.541 -20.791 1.00 0.00 C ATOM 669 CG1 VAL A 43 -18.329 29.568 -21.425 1.00 0.00 C ATOM 670 CG2 VAL A 43 -17.646 30.647 -19.293 1.00 0.00 C ATOM 0 H VAL A 43 -14.880 31.870 -20.661 1.00 0.00 H new ATOM 0 HA VAL A 43 -15.811 29.057 -20.696 1.00 0.00 H new ATOM 0 HB VAL A 43 -17.419 31.533 -21.233 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -19.345 29.908 -21.223 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.166 29.530 -22.502 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -18.188 28.574 -21.001 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -18.677 30.976 -19.162 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -17.513 29.672 -18.823 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -16.973 31.368 -18.829 1.00 0.00 H new ATOM 680 N PRO A 44 -15.105 28.975 -23.152 1.00 0.00 N ATOM 681 CA PRO A 44 -14.899 28.845 -24.591 1.00 0.00 C ATOM 682 C PRO A 44 -16.227 28.568 -25.324 1.00 0.00 C ATOM 683 O PRO A 44 -16.882 27.548 -25.095 1.00 0.00 O ATOM 684 CB PRO A 44 -13.888 27.705 -24.750 1.00 0.00 C ATOM 685 CG PRO A 44 -14.137 26.817 -23.531 1.00 0.00 C ATOM 686 CD PRO A 44 -14.615 27.792 -22.453 1.00 0.00 C ATOM 0 HA PRO A 44 -14.522 29.764 -25.039 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -14.045 27.159 -25.680 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -12.864 28.079 -24.769 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.887 26.054 -23.740 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -13.230 26.297 -23.224 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -15.403 27.345 -21.848 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -13.801 28.051 -21.776 1.00 0.00 H new ATOM 694 N PHE A 45 -16.603 29.460 -26.241 1.00 0.00 N ATOM 695 CA PHE A 45 -17.768 29.344 -27.131 1.00 0.00 C ATOM 696 C PHE A 45 -17.351 28.936 -28.544 1.00 0.00 C ATOM 697 O PHE A 45 -16.354 29.426 -29.065 1.00 0.00 O ATOM 698 CB PHE A 45 -18.512 30.682 -27.182 1.00 0.00 C ATOM 699 CG PHE A 45 -19.362 30.952 -25.955 1.00 0.00 C ATOM 700 CD1 PHE A 45 -18.769 31.480 -24.794 1.00 0.00 C ATOM 701 CD2 PHE A 45 -20.747 30.703 -25.977 1.00 0.00 C ATOM 702 CE1 PHE A 45 -19.557 31.764 -23.669 1.00 0.00 C ATOM 703 CE2 PHE A 45 -21.533 30.984 -24.844 1.00 0.00 C ATOM 704 CZ PHE A 45 -20.934 31.501 -23.682 1.00 0.00 C ATOM 0 H PHE A 45 -16.083 30.324 -26.394 1.00 0.00 H new ATOM 0 HA PHE A 45 -18.423 28.569 -26.733 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -17.786 31.487 -27.295 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -19.149 30.700 -28.066 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -17.706 31.667 -24.769 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -21.207 30.296 -26.865 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -19.100 32.188 -22.787 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -22.597 30.802 -24.867 1.00 0.00 H new ATOM 0 HZ PHE A 45 -21.532 31.695 -22.804 1.00 0.00 H new ATOM 714 N ALA A 46 -18.141 28.104 -29.214 1.00 0.00 N ATOM 715 CA ALA A 46 -17.880 27.661 -30.582 1.00 0.00 C ATOM 716 C ALA A 46 -18.307 28.724 -31.609 1.00 0.00 C ATOM 717 O ALA A 46 -19.176 29.548 -31.329 1.00 0.00 O ATOM 718 CB ALA A 46 -18.632 26.342 -30.805 1.00 0.00 C ATOM 0 H ALA A 46 -18.995 27.711 -28.817 1.00 0.00 H new ATOM 0 HA ALA A 46 -16.810 27.509 -30.721 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -18.454 25.989 -31.821 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -18.277 25.596 -30.094 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -19.700 26.503 -30.659 1.00 0.00 H new ATOM 724 N ASP A 47 -17.752 28.681 -32.822 1.00 0.00 N ATOM 725 CA ASP A 47 -18.115 29.583 -33.933 1.00 0.00 C ATOM 726 C ASP A 47 -19.605 29.495 -34.346 1.00 0.00 C ATOM 727 O ASP A 47 -20.152 30.427 -34.937 1.00 0.00 O ATOM 728 CB ASP A 47 -17.193 29.271 -35.120 1.00 0.00 C ATOM 729 CG ASP A 47 -17.399 30.228 -36.306 1.00 0.00 C ATOM 730 OD1 ASP A 47 -17.042 31.425 -36.189 1.00 0.00 O ATOM 731 OD2 ASP A 47 -17.879 29.777 -37.375 1.00 0.00 O ATOM 0 H ASP A 47 -17.025 28.010 -33.071 1.00 0.00 H new ATOM 0 HA ASP A 47 -17.979 30.610 -33.594 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -16.155 29.326 -34.792 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -17.369 28.247 -35.451 1.00 0.00 H new ATOM 736 N ASP A 48 -20.287 28.397 -33.994 1.00 0.00 N ATOM 737 CA ASP A 48 -21.738 28.211 -34.167 1.00 0.00 C ATOM 738 C ASP A 48 -22.588 28.987 -33.129 1.00 0.00 C ATOM 739 O ASP A 48 -23.805 29.112 -33.281 1.00 0.00 O ATOM 740 CB ASP A 48 -22.024 26.703 -34.103 1.00 0.00 C ATOM 741 CG ASP A 48 -23.463 26.345 -34.518 1.00 0.00 C ATOM 742 OD1 ASP A 48 -23.833 26.588 -35.693 1.00 0.00 O ATOM 743 OD2 ASP A 48 -24.213 25.774 -33.689 1.00 0.00 O ATOM 0 H ASP A 48 -19.833 27.589 -33.568 1.00 0.00 H new ATOM 0 HA ASP A 48 -22.030 28.624 -35.133 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -21.323 26.178 -34.752 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -21.845 26.348 -33.088 1.00 0.00 H new ATOM 748 N ALA A 49 -21.948 29.512 -32.079 1.00 0.00 N ATOM 749 CA ALA A 49 -22.549 30.206 -30.937 1.00 0.00 C ATOM 750 C ALA A 49 -22.048 31.662 -30.785 1.00 0.00 C ATOM 751 O ALA A 49 -21.130 32.111 -31.475 1.00 0.00 O ATOM 752 CB ALA A 49 -22.256 29.373 -29.680 1.00 0.00 C ATOM 0 H ALA A 49 -20.932 29.460 -32.000 1.00 0.00 H new ATOM 0 HA ALA A 49 -23.624 30.293 -31.096 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -22.691 29.863 -28.809 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -22.691 28.380 -29.792 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -21.178 29.284 -29.546 1.00 0.00 H new ATOM 758 N GLU A 50 -22.650 32.400 -29.849 1.00 0.00 N ATOM 759 CA GLU A 50 -22.269 33.761 -29.440 1.00 0.00 C ATOM 760 C GLU A 50 -22.235 33.904 -27.904 1.00 0.00 C ATOM 761 O GLU A 50 -22.750 33.044 -27.191 1.00 0.00 O ATOM 762 CB GLU A 50 -23.215 34.782 -30.097 1.00 0.00 C ATOM 763 CG GLU A 50 -24.664 34.723 -29.587 1.00 0.00 C ATOM 764 CD GLU A 50 -25.555 35.724 -30.349 1.00 0.00 C ATOM 765 OE1 GLU A 50 -25.628 36.910 -29.944 1.00 0.00 O ATOM 766 OE2 GLU A 50 -26.197 35.333 -31.355 1.00 0.00 O ATOM 0 H GLU A 50 -23.455 32.051 -29.329 1.00 0.00 H new ATOM 0 HA GLU A 50 -21.255 33.962 -29.786 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -22.823 35.785 -29.927 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -23.215 34.619 -31.175 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -25.056 33.714 -29.710 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -24.688 34.947 -28.520 1.00 0.00 H new ATOM 773 N ILE A 51 -21.636 34.990 -27.402 1.00 0.00 N ATOM 774 CA ILE A 51 -21.428 35.315 -25.984 1.00 0.00 C ATOM 775 C ILE A 51 -22.635 36.099 -25.438 1.00 0.00 C ATOM 776 O ILE A 51 -22.833 37.266 -25.801 1.00 0.00 O ATOM 777 CB ILE A 51 -20.134 36.140 -25.769 1.00 0.00 C ATOM 778 CG1 ILE A 51 -18.955 35.693 -26.664 1.00 0.00 C ATOM 779 CG2 ILE A 51 -19.735 36.141 -24.280 1.00 0.00 C ATOM 780 CD1 ILE A 51 -18.467 34.258 -26.472 1.00 0.00 C ATOM 0 H ILE A 51 -21.259 35.713 -28.014 1.00 0.00 H new ATOM 0 HA ILE A 51 -21.324 34.374 -25.443 1.00 0.00 H new ATOM 0 HB ILE A 51 -20.365 37.160 -26.077 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -19.250 35.818 -27.706 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -18.116 36.366 -26.487 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -18.824 36.725 -24.148 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -20.538 36.582 -23.689 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -19.561 35.117 -23.949 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -17.639 34.061 -27.153 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -18.131 34.122 -25.444 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -19.282 33.565 -26.682 1.00 0.00 H new ATOM 792 N PRO A 52 -23.446 35.496 -24.561 1.00 0.00 N ATOM 793 CA PRO A 52 -24.461 36.195 -23.788 1.00 0.00 C ATOM 794 C PRO A 52 -23.815 37.058 -22.692 1.00 0.00 C ATOM 795 O PRO A 52 -22.746 36.730 -22.172 1.00 0.00 O ATOM 796 CB PRO A 52 -25.350 35.090 -23.217 1.00 0.00 C ATOM 797 CG PRO A 52 -24.411 33.894 -23.093 1.00 0.00 C ATOM 798 CD PRO A 52 -23.408 34.091 -24.220 1.00 0.00 C ATOM 0 HA PRO A 52 -25.043 36.892 -24.391 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -25.768 35.372 -22.251 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -26.190 34.872 -23.876 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -23.919 33.873 -22.121 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -24.949 32.952 -23.199 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -22.407 33.795 -23.905 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -23.666 33.475 -25.082 1.00 0.00 H new ATOM 806 N GLY A 53 -24.492 38.148 -22.320 1.00 0.00 N ATOM 807 CA GLY A 53 -24.067 39.113 -21.290 1.00 0.00 C ATOM 808 C GLY A 53 -23.646 38.494 -19.948 1.00 0.00 C ATOM 809 O GLY A 53 -22.782 39.043 -19.260 1.00 0.00 O ATOM 0 H GLY A 53 -25.387 38.396 -22.742 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -23.232 39.694 -21.682 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -24.884 39.811 -21.109 1.00 0.00 H new ATOM 813 N THR A 54 -24.220 37.347 -19.574 1.00 0.00 N ATOM 814 CA THR A 54 -23.782 36.553 -18.418 1.00 0.00 C ATOM 815 C THR A 54 -23.809 35.038 -18.699 1.00 0.00 C ATOM 816 O THR A 54 -24.497 34.578 -19.615 1.00 0.00 O ATOM 817 CB THR A 54 -24.683 36.816 -17.191 1.00 0.00 C ATOM 818 OG1 THR A 54 -26.025 36.468 -17.476 1.00 0.00 O ATOM 819 CG2 THR A 54 -24.757 38.280 -16.765 1.00 0.00 C ATOM 0 H THR A 54 -25.011 36.937 -20.070 1.00 0.00 H new ATOM 0 HA THR A 54 -22.756 36.864 -18.218 1.00 0.00 H new ATOM 0 HB THR A 54 -24.228 36.218 -16.402 1.00 0.00 H new ATOM 0 HG1 THR A 54 -26.582 36.639 -16.688 1.00 0.00 H new ATOM 0 HG21 THR A 54 -25.410 38.374 -15.897 1.00 0.00 H new ATOM 0 HG22 THR A 54 -23.759 38.635 -16.508 1.00 0.00 H new ATOM 0 HG23 THR A 54 -25.155 38.878 -17.585 1.00 0.00 H new ATOM 827 N TRP A 55 -23.060 34.252 -17.914 1.00 0.00 N ATOM 828 CA TRP A 55 -22.944 32.789 -18.035 1.00 0.00 C ATOM 829 C TRP A 55 -22.504 32.135 -16.710 1.00 0.00 C ATOM 830 O TRP A 55 -21.755 32.727 -15.931 1.00 0.00 O ATOM 831 CB TRP A 55 -21.944 32.450 -19.147 1.00 0.00 C ATOM 832 CG TRP A 55 -21.931 31.023 -19.591 1.00 0.00 C ATOM 833 CD1 TRP A 55 -21.109 30.068 -19.114 1.00 0.00 C ATOM 834 CD2 TRP A 55 -22.741 30.366 -20.614 1.00 0.00 C ATOM 835 NE1 TRP A 55 -21.309 28.888 -19.794 1.00 0.00 N ATOM 836 CE2 TRP A 55 -22.312 29.009 -20.730 1.00 0.00 C ATOM 837 CE3 TRP A 55 -23.783 30.784 -21.466 1.00 0.00 C ATOM 838 CZ2 TRP A 55 -22.880 28.116 -21.654 1.00 0.00 C ATOM 839 CZ3 TRP A 55 -24.367 29.899 -22.394 1.00 0.00 C ATOM 840 CH2 TRP A 55 -23.916 28.569 -22.491 1.00 0.00 C ATOM 0 H TRP A 55 -22.498 34.628 -17.150 1.00 0.00 H new ATOM 0 HA TRP A 55 -23.928 32.390 -18.283 1.00 0.00 H new ATOM 0 HB2 TRP A 55 -22.162 33.078 -20.011 1.00 0.00 H new ATOM 0 HB3 TRP A 55 -20.944 32.714 -18.804 1.00 0.00 H new ATOM 0 HD1 TRP A 55 -20.397 30.208 -18.314 1.00 0.00 H new ATOM 0 HE1 TRP A 55 -20.781 28.032 -19.626 1.00 0.00 H new ATOM 0 HE3 TRP A 55 -24.140 31.801 -21.406 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 -22.527 27.098 -21.721 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 -25.165 30.243 -23.035 1.00 0.00 H new ATOM 0 HH2 TRP A 55 -24.365 27.897 -23.207 1.00 0.00 H new ATOM 851 N LEU A 56 -22.951 30.906 -16.432 1.00 0.00 N ATOM 852 CA LEU A 56 -22.616 30.175 -15.204 1.00 0.00 C ATOM 853 C LEU A 56 -21.137 29.743 -15.190 1.00 0.00 C ATOM 854 O LEU A 56 -20.660 29.069 -16.106 1.00 0.00 O ATOM 855 CB LEU A 56 -23.575 28.978 -15.046 1.00 0.00 C ATOM 856 CG LEU A 56 -24.183 28.844 -13.640 1.00 0.00 C ATOM 857 CD1 LEU A 56 -25.293 27.794 -13.648 1.00 0.00 C ATOM 858 CD2 LEU A 56 -23.147 28.412 -12.606 1.00 0.00 C ATOM 0 H LEU A 56 -23.563 30.384 -17.060 1.00 0.00 H new ATOM 0 HA LEU A 56 -22.746 30.836 -14.347 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -24.382 29.074 -15.772 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -23.037 28.061 -15.287 1.00 0.00 H new ATOM 0 HG LEU A 56 -24.570 29.827 -13.371 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -25.718 27.706 -12.648 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -26.073 28.094 -14.348 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -24.882 26.832 -13.953 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -23.621 28.330 -11.628 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -22.731 27.445 -12.890 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -22.348 29.152 -12.561 1.00 0.00 H new ATOM 870 N CYS A 57 -20.415 30.117 -14.136 1.00 0.00 N ATOM 871 CA CYS A 57 -18.992 29.818 -13.956 1.00 0.00 C ATOM 872 C CYS A 57 -18.759 28.508 -13.187 1.00 0.00 C ATOM 873 O CYS A 57 -19.638 28.022 -12.470 1.00 0.00 O ATOM 874 CB CYS A 57 -18.333 30.998 -13.238 1.00 0.00 C ATOM 875 SG CYS A 57 -18.265 32.418 -14.354 1.00 0.00 S ATOM 0 H CYS A 57 -20.812 30.650 -13.362 1.00 0.00 H new ATOM 0 HA CYS A 57 -18.541 29.676 -14.938 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -18.897 31.253 -12.341 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -17.328 30.726 -12.916 1.00 0.00 H new ATOM 0 HG CYS A 57 -17.708 33.422 -13.745 1.00 0.00 H new ATOM 881 N ARG A 58 -17.534 27.966 -13.268 1.00 0.00 N ATOM 882 CA ARG A 58 -17.170 26.668 -12.658 1.00 0.00 C ATOM 883 C ARG A 58 -17.152 26.672 -11.119 1.00 0.00 C ATOM 884 O ARG A 58 -17.143 25.605 -10.507 1.00 0.00 O ATOM 885 CB ARG A 58 -15.839 26.143 -13.233 1.00 0.00 C ATOM 886 CG ARG A 58 -15.779 26.142 -14.773 1.00 0.00 C ATOM 887 CD ARG A 58 -14.534 25.416 -15.301 1.00 0.00 C ATOM 888 NE ARG A 58 -14.657 23.949 -15.167 1.00 0.00 N ATOM 889 CZ ARG A 58 -13.694 23.078 -14.928 1.00 0.00 C ATOM 890 NH1 ARG A 58 -12.451 23.418 -14.752 1.00 0.00 N ATOM 891 NH2 ARG A 58 -13.952 21.809 -14.847 1.00 0.00 N ATOM 0 H ARG A 58 -16.761 28.414 -13.760 1.00 0.00 H new ATOM 0 HA ARG A 58 -17.971 25.981 -12.932 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -15.023 26.754 -12.848 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -15.675 25.128 -12.872 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -16.674 25.662 -15.170 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -15.780 27.170 -15.136 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -14.380 25.674 -16.349 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -13.655 25.759 -14.756 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.596 23.565 -15.271 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -12.180 24.400 -14.796 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -11.747 22.702 -14.570 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -14.908 21.474 -14.968 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -13.199 21.146 -14.662 1.00 0.00 H new ATOM 905 N ASN A 59 -17.220 27.852 -10.492 1.00 0.00 N ATOM 906 CA ASN A 59 -17.456 28.020 -9.048 1.00 0.00 C ATOM 907 C ASN A 59 -18.890 27.613 -8.621 1.00 0.00 C ATOM 908 O ASN A 59 -19.164 27.388 -7.442 1.00 0.00 O ATOM 909 CB ASN A 59 -17.181 29.500 -8.725 1.00 0.00 C ATOM 910 CG ASN A 59 -17.356 29.932 -7.277 1.00 0.00 C ATOM 911 OD1 ASN A 59 -17.136 29.191 -6.330 1.00 0.00 O ATOM 912 ND2 ASN A 59 -17.685 31.187 -7.066 1.00 0.00 N ATOM 0 H ASN A 59 -17.110 28.739 -10.983 1.00 0.00 H new ATOM 0 HA ASN A 59 -16.794 27.359 -8.488 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -16.159 29.729 -9.026 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -17.839 30.110 -9.343 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -17.757 31.542 -6.112 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -17.869 31.806 -7.856 1.00 0.00 H new ATOM 919 N GLY A 60 -19.816 27.512 -9.580 1.00 0.00 N ATOM 920 CA GLY A 60 -21.246 27.270 -9.355 1.00 0.00 C ATOM 921 C GLY A 60 -22.068 28.556 -9.190 1.00 0.00 C ATOM 922 O GLY A 60 -23.220 28.491 -8.757 1.00 0.00 O ATOM 0 H GLY A 60 -19.583 27.599 -10.569 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.645 26.698 -10.193 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -21.366 26.655 -8.463 1.00 0.00 H new ATOM 926 N MET A 61 -21.490 29.720 -9.521 1.00 0.00 N ATOM 927 CA MET A 61 -22.130 31.036 -9.454 1.00 0.00 C ATOM 928 C MET A 61 -22.302 31.651 -10.850 1.00 0.00 C ATOM 929 O MET A 61 -21.471 31.454 -11.739 1.00 0.00 O ATOM 930 CB MET A 61 -21.304 31.930 -8.513 1.00 0.00 C ATOM 931 CG MET A 61 -21.982 33.260 -8.154 1.00 0.00 C ATOM 932 SD MET A 61 -23.653 33.155 -7.450 1.00 0.00 S ATOM 933 CE MET A 61 -23.278 32.446 -5.823 1.00 0.00 C ATOM 0 H MET A 61 -20.527 29.769 -9.855 1.00 0.00 H new ATOM 0 HA MET A 61 -23.138 30.938 -9.052 1.00 0.00 H new ATOM 0 HB2 MET A 61 -21.099 31.380 -7.595 1.00 0.00 H new ATOM 0 HB3 MET A 61 -20.342 32.140 -8.981 1.00 0.00 H new ATOM 0 HG2 MET A 61 -21.345 33.786 -7.443 1.00 0.00 H new ATOM 0 HG3 MET A 61 -22.029 33.873 -9.054 1.00 0.00 H new ATOM 0 HE1 MET A 61 -24.203 32.317 -5.260 1.00 0.00 H new ATOM 0 HE2 MET A 61 -22.793 31.478 -5.951 1.00 0.00 H new ATOM 0 HE3 MET A 61 -22.613 33.116 -5.279 1.00 0.00 H new ATOM 943 N GLU A 62 -23.371 32.421 -11.047 1.00 0.00 N ATOM 944 CA GLU A 62 -23.629 33.170 -12.282 1.00 0.00 C ATOM 945 C GLU A 62 -22.591 34.292 -12.457 1.00 0.00 C ATOM 946 O GLU A 62 -22.566 35.264 -11.696 1.00 0.00 O ATOM 947 CB GLU A 62 -25.062 33.726 -12.288 1.00 0.00 C ATOM 948 CG GLU A 62 -26.113 32.610 -12.377 1.00 0.00 C ATOM 949 CD GLU A 62 -27.539 33.193 -12.416 1.00 0.00 C ATOM 950 OE1 GLU A 62 -28.149 33.393 -11.338 1.00 0.00 O ATOM 951 OE2 GLU A 62 -28.065 33.450 -13.527 1.00 0.00 O ATOM 0 H GLU A 62 -24.097 32.546 -10.342 1.00 0.00 H new ATOM 0 HA GLU A 62 -23.533 32.491 -13.129 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -25.228 34.309 -11.382 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -25.183 34.406 -13.131 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -25.937 32.011 -13.270 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -26.013 31.943 -11.521 1.00 0.00 H new ATOM 958 N GLY A 63 -21.705 34.133 -13.441 1.00 0.00 N ATOM 959 CA GLY A 63 -20.686 35.117 -13.802 1.00 0.00 C ATOM 960 C GLY A 63 -21.187 36.146 -14.820 1.00 0.00 C ATOM 961 O GLY A 63 -21.989 35.820 -15.695 1.00 0.00 O ATOM 0 H GLY A 63 -21.676 33.296 -14.023 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -20.353 35.635 -12.903 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -19.818 34.600 -14.212 1.00 0.00 H new ATOM 965 N THR A 64 -20.670 37.375 -14.761 1.00 0.00 N ATOM 966 CA THR A 64 -20.960 38.440 -15.741 1.00 0.00 C ATOM 967 C THR A 64 -19.761 38.727 -16.641 1.00 0.00 C ATOM 968 O THR A 64 -18.626 38.758 -16.169 1.00 0.00 O ATOM 969 CB THR A 64 -21.413 39.735 -15.049 1.00 0.00 C ATOM 970 OG1 THR A 64 -22.542 39.487 -14.237 1.00 0.00 O ATOM 971 CG2 THR A 64 -21.808 40.839 -16.035 1.00 0.00 C ATOM 0 H THR A 64 -20.029 37.669 -14.024 1.00 0.00 H new ATOM 0 HA THR A 64 -21.776 38.073 -16.364 1.00 0.00 H new ATOM 0 HB THR A 64 -20.556 40.070 -14.465 1.00 0.00 H new ATOM 0 HG1 THR A 64 -22.820 40.319 -13.800 1.00 0.00 H new ATOM 0 HG21 THR A 64 -22.118 41.726 -15.483 1.00 0.00 H new ATOM 0 HG22 THR A 64 -20.955 41.085 -16.667 1.00 0.00 H new ATOM 0 HG23 THR A 64 -22.633 40.493 -16.658 1.00 0.00 H new ATOM 979 N LEU A 65 -20.017 38.914 -17.939 1.00 0.00 N ATOM 980 CA LEU A 65 -19.019 39.034 -19.005 1.00 0.00 C ATOM 981 C LEU A 65 -18.072 40.231 -18.768 1.00 0.00 C ATOM 982 O LEU A 65 -18.524 41.377 -18.689 1.00 0.00 O ATOM 983 CB LEU A 65 -19.808 39.119 -20.329 1.00 0.00 C ATOM 984 CG LEU A 65 -19.067 38.954 -21.670 1.00 0.00 C ATOM 985 CD1 LEU A 65 -20.049 39.301 -22.793 1.00 0.00 C ATOM 986 CD2 LEU A 65 -17.832 39.831 -21.866 1.00 0.00 C ATOM 0 H LEU A 65 -20.971 38.989 -18.291 1.00 0.00 H new ATOM 0 HA LEU A 65 -18.352 38.172 -19.032 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -20.589 38.359 -20.292 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -20.307 40.088 -20.349 1.00 0.00 H new ATOM 0 HG LEU A 65 -18.711 37.924 -21.680 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -19.552 39.193 -23.757 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -20.905 38.628 -22.749 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -20.390 40.329 -22.673 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -17.394 39.629 -22.843 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -18.118 40.881 -21.806 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -17.101 39.610 -21.088 1.00 0.00 H new ATOM 998 N ILE A 66 -16.763 39.966 -18.695 1.00 0.00 N ATOM 999 CA ILE A 66 -15.683 40.969 -18.655 1.00 0.00 C ATOM 1000 C ILE A 66 -14.603 40.681 -19.712 1.00 0.00 C ATOM 1001 O ILE A 66 -14.417 39.542 -20.142 1.00 0.00 O ATOM 1002 CB ILE A 66 -15.053 41.121 -17.247 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -14.167 39.940 -16.785 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -16.114 41.480 -16.192 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -14.842 38.586 -16.696 1.00 0.00 C ATOM 0 H ILE A 66 -16.409 39.010 -18.661 1.00 0.00 H new ATOM 0 HA ILE A 66 -16.150 41.924 -18.896 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.358 41.955 -17.348 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -13.324 39.857 -17.471 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -13.758 40.183 -15.804 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -15.638 41.579 -15.216 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.590 42.423 -16.461 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -16.867 40.693 -16.150 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -14.120 37.841 -16.362 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -15.667 38.637 -15.985 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -15.226 38.305 -17.677 1.00 0.00 H new ATOM 1017 N GLU A 67 -13.866 41.714 -20.119 1.00 0.00 N ATOM 1018 CA GLU A 67 -12.711 41.581 -21.020 1.00 0.00 C ATOM 1019 C GLU A 67 -11.473 41.034 -20.280 1.00 0.00 C ATOM 1020 O GLU A 67 -11.195 41.415 -19.139 1.00 0.00 O ATOM 1021 CB GLU A 67 -12.390 42.929 -21.688 1.00 0.00 C ATOM 1022 CG GLU A 67 -13.517 43.416 -22.610 1.00 0.00 C ATOM 1023 CD GLU A 67 -13.144 44.752 -23.279 1.00 0.00 C ATOM 1024 OE1 GLU A 67 -12.548 44.737 -24.384 1.00 0.00 O ATOM 1025 OE2 GLU A 67 -13.451 45.829 -22.711 1.00 0.00 O ATOM 0 H GLU A 67 -14.051 42.675 -19.833 1.00 0.00 H new ATOM 0 HA GLU A 67 -12.977 40.861 -21.794 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -12.208 43.678 -20.917 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -11.470 42.834 -22.264 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -13.716 42.665 -23.375 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -14.435 43.537 -22.035 1.00 0.00 H new ATOM 1032 N GLY A 68 -10.703 40.163 -20.945 1.00 0.00 N ATOM 1033 CA GLY A 68 -9.479 39.559 -20.397 1.00 0.00 C ATOM 1034 C GLY A 68 -8.284 40.516 -20.239 1.00 0.00 C ATOM 1035 O GLY A 68 -7.400 40.249 -19.423 1.00 0.00 O ATOM 0 H GLY A 68 -10.915 39.853 -21.893 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -9.711 39.130 -19.422 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.180 38.735 -21.044 1.00 0.00 H new ATOM 1039 N ASP A 69 -8.295 41.646 -20.959 1.00 0.00 N ATOM 1040 CA ASP A 69 -7.316 42.735 -20.944 1.00 0.00 C ATOM 1041 C ASP A 69 -5.899 42.387 -21.458 1.00 0.00 C ATOM 1042 O ASP A 69 -5.429 41.246 -21.458 1.00 0.00 O ATOM 1043 CB ASP A 69 -7.332 43.451 -19.576 1.00 0.00 C ATOM 1044 CG ASP A 69 -6.714 44.864 -19.591 1.00 0.00 C ATOM 1045 OD1 ASP A 69 -6.728 45.531 -20.654 1.00 0.00 O ATOM 1046 OD2 ASP A 69 -6.246 45.327 -18.522 1.00 0.00 O ATOM 0 H ASP A 69 -9.050 41.835 -21.619 1.00 0.00 H new ATOM 0 HA ASP A 69 -7.648 43.442 -21.705 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -8.363 43.522 -19.228 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -6.793 42.839 -18.853 1.00 0.00 H new ATOM 1051 N LEU A 70 -5.227 43.434 -21.927 1.00 0.00 N ATOM 1052 CA LEU A 70 -3.816 43.476 -22.332 1.00 0.00 C ATOM 1053 C LEU A 70 -2.860 43.298 -21.120 1.00 0.00 C ATOM 1054 O LEU A 70 -3.293 43.488 -19.975 1.00 0.00 O ATOM 1055 CB LEU A 70 -3.593 44.797 -23.102 1.00 0.00 C ATOM 1056 CG LEU A 70 -3.797 44.673 -24.626 1.00 0.00 C ATOM 1057 CD1 LEU A 70 -5.236 44.333 -25.019 1.00 0.00 C ATOM 1058 CD2 LEU A 70 -3.421 45.991 -25.305 1.00 0.00 C ATOM 0 H LEU A 70 -5.680 44.340 -22.044 1.00 0.00 H new ATOM 0 HA LEU A 70 -3.579 42.638 -22.988 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -4.276 45.552 -22.714 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -2.581 45.153 -22.908 1.00 0.00 H new ATOM 0 HG LEU A 70 -3.157 43.854 -24.953 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -5.309 44.261 -26.104 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -5.520 43.380 -24.572 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -5.905 45.115 -24.661 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -3.566 45.900 -26.381 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -4.052 46.792 -24.920 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -2.376 46.222 -25.098 1.00 0.00 H new ATOM 1070 N PRO A 71 -1.572 42.934 -21.320 1.00 0.00 N ATOM 1071 CA PRO A 71 -0.823 42.912 -22.589 1.00 0.00 C ATOM 1072 C PRO A 71 -1.037 41.684 -23.490 1.00 0.00 C ATOM 1073 O PRO A 71 -0.786 41.780 -24.691 1.00 0.00 O ATOM 1074 CB PRO A 71 0.649 43.023 -22.170 1.00 0.00 C ATOM 1075 CG PRO A 71 0.690 42.340 -20.806 1.00 0.00 C ATOM 1076 CD PRO A 71 -0.653 42.736 -20.203 1.00 0.00 C ATOM 0 HA PRO A 71 -1.181 43.727 -23.218 1.00 0.00 H new ATOM 0 HB2 PRO A 71 1.307 42.529 -22.885 1.00 0.00 H new ATOM 0 HB3 PRO A 71 0.970 44.063 -22.107 1.00 0.00 H new ATOM 0 HG2 PRO A 71 0.792 41.259 -20.896 1.00 0.00 H new ATOM 0 HG3 PRO A 71 1.526 42.690 -20.201 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -1.020 41.959 -19.533 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -0.559 43.648 -19.613 1.00 0.00 H new ATOM 1084 N GLU A 72 -1.482 40.544 -22.953 1.00 0.00 N ATOM 1085 CA GLU A 72 -1.476 39.250 -23.666 1.00 0.00 C ATOM 1086 C GLU A 72 -2.847 38.531 -23.680 1.00 0.00 C ATOM 1087 O GLU A 72 -3.002 37.474 -23.056 1.00 0.00 O ATOM 1088 CB GLU A 72 -0.352 38.354 -23.104 1.00 0.00 C ATOM 1089 CG GLU A 72 1.045 38.948 -23.322 1.00 0.00 C ATOM 1090 CD GLU A 72 2.143 37.931 -22.955 1.00 0.00 C ATOM 1091 OE1 GLU A 72 2.547 37.864 -21.768 1.00 0.00 O ATOM 1092 OE2 GLU A 72 2.621 37.193 -23.853 1.00 0.00 O ATOM 0 H GLU A 72 -1.860 40.486 -22.007 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.274 39.462 -24.716 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.515 38.201 -22.037 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.403 37.374 -23.578 1.00 0.00 H new ATOM 0 HG2 GLU A 72 1.157 39.249 -24.364 1.00 0.00 H new ATOM 0 HG3 GLU A 72 1.160 39.847 -22.716 1.00 0.00 H new ATOM 1099 N PRO A 73 -3.855 39.053 -24.411 1.00 0.00 N ATOM 1100 CA PRO A 73 -5.051 38.286 -24.762 1.00 0.00 C ATOM 1101 C PRO A 73 -4.714 37.174 -25.777 1.00 0.00 C ATOM 1102 O PRO A 73 -3.830 37.334 -26.626 1.00 0.00 O ATOM 1103 CB PRO A 73 -6.028 39.315 -25.341 1.00 0.00 C ATOM 1104 CG PRO A 73 -5.100 40.330 -26.007 1.00 0.00 C ATOM 1105 CD PRO A 73 -3.876 40.344 -25.090 1.00 0.00 C ATOM 0 HA PRO A 73 -5.481 37.773 -23.902 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -6.713 38.863 -26.058 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -6.638 39.775 -24.564 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -4.839 40.030 -27.022 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -5.563 41.314 -26.075 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.962 40.496 -25.664 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -3.939 41.160 -24.370 1.00 0.00 H new ATOM 1113 N LYS A 74 -5.439 36.049 -25.715 1.00 0.00 N ATOM 1114 CA LYS A 74 -5.306 34.906 -26.646 1.00 0.00 C ATOM 1115 C LYS A 74 -6.655 34.237 -26.940 1.00 0.00 C ATOM 1116 O LYS A 74 -7.452 34.030 -26.025 1.00 0.00 O ATOM 1117 CB LYS A 74 -4.251 33.908 -26.122 1.00 0.00 C ATOM 1118 CG LYS A 74 -4.612 33.241 -24.780 1.00 0.00 C ATOM 1119 CD LYS A 74 -3.448 32.429 -24.191 1.00 0.00 C ATOM 1120 CE LYS A 74 -3.156 31.159 -25.003 1.00 0.00 C ATOM 1121 NZ LYS A 74 -2.050 30.370 -24.400 1.00 0.00 N ATOM 0 H LYS A 74 -6.153 35.899 -25.002 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.954 35.289 -27.604 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.102 33.130 -26.871 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.300 34.429 -26.010 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.912 34.008 -24.066 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.471 32.586 -24.924 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.553 33.051 -24.159 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.683 32.154 -23.163 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -4.055 30.545 -25.057 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -2.895 31.432 -26.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.878 29.519 -24.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.186 30.948 -24.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.311 30.090 -23.433 1.00 0.00 H new ATOM 1135 N LYS A 75 -6.907 33.926 -28.223 1.00 0.00 N ATOM 1136 CA LYS A 75 -8.148 33.331 -28.784 1.00 0.00 C ATOM 1137 C LYS A 75 -9.463 33.881 -28.188 1.00 0.00 C ATOM 1138 O LYS A 75 -10.431 33.152 -27.963 1.00 0.00 O ATOM 1139 CB LYS A 75 -8.039 31.790 -28.828 1.00 0.00 C ATOM 1140 CG LYS A 75 -7.819 31.110 -27.463 1.00 0.00 C ATOM 1141 CD LYS A 75 -7.818 29.576 -27.554 1.00 0.00 C ATOM 1142 CE LYS A 75 -6.606 29.048 -28.334 1.00 0.00 C ATOM 1143 NZ LYS A 75 -6.559 27.562 -28.346 1.00 0.00 N ATOM 0 H LYS A 75 -6.209 34.091 -28.948 1.00 0.00 H new ATOM 0 HA LYS A 75 -8.224 33.670 -29.817 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.950 31.390 -29.273 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.216 31.518 -29.488 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -6.870 31.445 -27.044 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -8.601 31.428 -26.774 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -7.815 29.153 -26.549 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -8.735 29.241 -28.038 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -6.644 29.418 -29.358 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -5.690 29.437 -27.889 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.726 27.245 -28.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -6.497 27.209 -27.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -7.421 27.191 -28.794 1.00 0.00 H new ATOM 1157 N VAL A 76 -9.496 35.195 -27.954 1.00 0.00 N ATOM 1158 CA VAL A 76 -10.608 35.905 -27.292 1.00 0.00 C ATOM 1159 C VAL A 76 -11.815 36.117 -28.211 1.00 0.00 C ATOM 1160 O VAL A 76 -11.710 36.001 -29.437 1.00 0.00 O ATOM 1161 CB VAL A 76 -10.151 37.246 -26.673 1.00 0.00 C ATOM 1162 CG1 VAL A 76 -9.185 37.018 -25.507 1.00 0.00 C ATOM 1163 CG2 VAL A 76 -9.489 38.191 -27.684 1.00 0.00 C ATOM 0 H VAL A 76 -8.733 35.816 -28.224 1.00 0.00 H new ATOM 0 HA VAL A 76 -10.934 35.250 -26.484 1.00 0.00 H new ATOM 0 HB VAL A 76 -11.065 37.723 -26.318 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -8.881 37.979 -25.093 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -9.680 36.430 -24.734 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -8.305 36.482 -25.863 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -9.193 39.112 -27.182 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -8.608 37.710 -28.108 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -10.195 38.423 -28.481 1.00 0.00 H new ATOM 1173 N LYS A 77 -12.966 36.473 -27.630 1.00 0.00 N ATOM 1174 CA LYS A 77 -14.153 36.970 -28.356 1.00 0.00 C ATOM 1175 C LYS A 77 -13.841 38.252 -29.171 1.00 0.00 C ATOM 1176 O LYS A 77 -12.896 38.968 -28.827 1.00 0.00 O ATOM 1177 CB LYS A 77 -15.311 37.254 -27.372 1.00 0.00 C ATOM 1178 CG LYS A 77 -14.912 38.122 -26.160 1.00 0.00 C ATOM 1179 CD LYS A 77 -16.100 38.539 -25.277 1.00 0.00 C ATOM 1180 CE LYS A 77 -17.176 39.397 -25.969 1.00 0.00 C ATOM 1181 NZ LYS A 77 -16.671 40.730 -26.396 1.00 0.00 N ATOM 0 H LYS A 77 -13.107 36.425 -26.621 1.00 0.00 H new ATOM 0 HA LYS A 77 -14.449 36.188 -29.055 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -16.117 37.751 -27.911 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -15.707 36.305 -27.011 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -14.195 37.572 -25.551 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -14.405 39.018 -26.518 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -16.574 37.638 -24.888 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -15.716 39.092 -24.420 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -17.555 38.862 -26.840 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -18.017 39.534 -25.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -17.459 41.408 -26.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -15.951 41.061 -25.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -16.249 40.654 -27.343 1.00 0.00 H new ATOM 1195 N PRO A 78 -14.639 38.589 -30.206 1.00 0.00 N ATOM 1196 CA PRO A 78 -14.554 39.878 -30.907 1.00 0.00 C ATOM 1197 C PRO A 78 -14.812 41.089 -29.977 1.00 0.00 C ATOM 1198 O PRO A 78 -15.408 40.908 -28.906 1.00 0.00 O ATOM 1199 CB PRO A 78 -15.605 39.810 -32.025 1.00 0.00 C ATOM 1200 CG PRO A 78 -15.833 38.316 -32.233 1.00 0.00 C ATOM 1201 CD PRO A 78 -15.664 37.759 -30.824 1.00 0.00 C ATOM 0 HA PRO A 78 -13.547 40.032 -31.294 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -16.526 40.317 -31.737 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -15.248 40.289 -32.937 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -16.825 38.109 -32.635 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -15.111 37.888 -32.928 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.599 37.808 -30.266 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -15.361 36.712 -30.848 1.00 0.00 H new ATOM 1209 N PRO A 79 -14.443 42.327 -30.371 1.00 0.00 N ATOM 1210 CA PRO A 79 -13.736 42.701 -31.605 1.00 0.00 C ATOM 1211 C PRO A 79 -12.282 42.200 -31.673 1.00 0.00 C ATOM 1212 O PRO A 79 -11.662 41.921 -30.643 1.00 0.00 O ATOM 1213 CB PRO A 79 -13.783 44.235 -31.668 1.00 0.00 C ATOM 1214 CG PRO A 79 -14.953 44.607 -30.760 1.00 0.00 C ATOM 1215 CD PRO A 79 -14.866 43.536 -29.677 1.00 0.00 C ATOM 0 HA PRO A 79 -14.225 42.228 -32.456 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -12.850 44.677 -31.318 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -13.941 44.588 -32.687 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -14.848 45.611 -30.350 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -15.906 44.576 -31.289 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -14.152 43.816 -28.902 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.829 43.392 -29.186 1.00 0.00 H new ATOM 1223 N ARG A 80 -11.739 42.099 -32.894 1.00 0.00 N ATOM 1224 CA ARG A 80 -10.348 41.695 -33.181 1.00 0.00 C ATOM 1225 C ARG A 80 -9.745 42.428 -34.390 1.00 0.00 C ATOM 1226 O ARG A 80 -8.504 42.584 -34.427 1.00 0.00 O ATOM 1227 CB ARG A 80 -10.260 40.161 -33.311 1.00 0.00 C ATOM 1228 CG ARG A 80 -10.908 39.579 -34.581 1.00 0.00 C ATOM 1229 CD ARG A 80 -10.770 38.050 -34.666 1.00 0.00 C ATOM 1230 NE ARG A 80 -11.788 37.333 -33.870 1.00 0.00 N ATOM 1231 CZ ARG A 80 -11.681 36.864 -32.643 1.00 0.00 C ATOM 1232 NH1 ARG A 80 -10.631 37.036 -31.898 1.00 0.00 N ATOM 1233 NH2 ARG A 80 -12.650 36.187 -32.107 1.00 0.00 N ATOM 1234 OXT ARG A 80 -10.512 42.856 -35.285 1.00 0.00 O ATOM 0 H ARG A 80 -12.271 42.302 -33.740 1.00 0.00 H new ATOM 0 HA ARG A 80 -9.732 42.000 -32.335 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -9.210 39.869 -33.290 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -10.734 39.709 -32.439 1.00 0.00 H new ATOM 0 HG2 ARG A 80 -11.964 39.847 -34.601 1.00 0.00 H new ATOM 0 HG3 ARG A 80 -10.448 40.031 -35.460 1.00 0.00 H new ATOM 0 HD2 ARG A 80 -10.848 37.741 -35.708 1.00 0.00 H new ATOM 0 HD3 ARG A 80 -9.777 37.761 -34.321 1.00 0.00 H new ATOM 0 HE ARG A 80 -12.687 37.182 -34.328 1.00 0.00 H new ATOM 0 HH11 ARG A 80 -9.831 37.558 -32.256 1.00 0.00 H new ATOM 0 HH12 ARG A 80 -10.606 36.649 -30.955 1.00 0.00 H new ATOM 0 HH21 ARG A 80 -13.505 36.013 -32.636 1.00 0.00 H new ATOM 0 HH22 ARG A 80 -12.557 35.828 -31.157 1.00 0.00 H new TER 1248 ARG A 80