USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 588 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 52 THR OG1 : rot -111:sc= 0.849 USER MOD Set 1.2: A 71 TYR OH : rot 30:sc= 0.594 USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.143 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -103:sc= 0.132 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.619 K(o=-0.62,f=-2.8) USER MOD Single : A 14 GLN : amide:sc= -12! C(o=-12!,f=-22!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= -0.496 F(o=-1.6,f=-0.5) USER MOD Single : A 23 THR OG1 : rot 180:sc= -5.54! USER MOD Single : A 24 ASN : amide:sc= -0.0182 X(o=-0.018,f=-0.43) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= -1.3 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 44 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot 180:sc= -0.168 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0779 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 ASN : amide:sc= -0.464 X(o=-0.46,f=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= -0.507 X(o=-0.51,f=-0.49) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.346 -8.920 -10.543 1.00 0.00 N ATOM 2 CA SER A 1 -1.459 -10.203 -9.871 1.00 0.00 C ATOM 3 C SER A 1 -2.649 -10.187 -8.910 1.00 0.00 C ATOM 4 O SER A 1 -3.367 -9.192 -8.821 1.00 0.00 O ATOM 5 CB SER A 1 -0.173 -10.545 -9.117 1.00 0.00 C ATOM 6 OG SER A 1 0.848 -11.019 -9.991 1.00 0.00 O ATOM 0 H1 SER A 1 -1.583 -9.033 -11.549 1.00 0.00 H new ATOM 0 H2 SER A 1 -2.002 -8.241 -10.107 1.00 0.00 H new ATOM 0 H3 SER A 1 -0.372 -8.566 -10.455 1.00 0.00 H new ATOM 0 HA SER A 1 -1.620 -10.972 -10.627 1.00 0.00 H new ATOM 0 HB2 SER A 1 0.184 -9.661 -8.589 1.00 0.00 H new ATOM 0 HB3 SER A 1 -0.385 -11.303 -8.363 1.00 0.00 H new ATOM 0 HG SER A 1 1.653 -11.225 -9.472 1.00 0.00 H new ATOM 12 N THR A 2 -2.822 -11.302 -8.214 1.00 0.00 N ATOM 13 CA THR A 2 -3.913 -11.428 -7.263 1.00 0.00 C ATOM 14 C THR A 2 -3.597 -10.654 -5.982 1.00 0.00 C ATOM 15 O THR A 2 -4.392 -10.647 -5.044 1.00 0.00 O ATOM 16 CB THR A 2 -4.163 -12.919 -7.026 1.00 0.00 C ATOM 17 OG1 THR A 2 -2.861 -13.497 -7.050 1.00 0.00 O ATOM 18 CG2 THR A 2 -4.889 -13.585 -8.196 1.00 0.00 C ATOM 0 H THR A 2 -2.225 -12.126 -8.290 1.00 0.00 H new ATOM 0 HA THR A 2 -4.830 -10.987 -7.653 1.00 0.00 H new ATOM 0 HB THR A 2 -4.749 -13.048 -6.116 1.00 0.00 H new ATOM 0 HG1 THR A 2 -2.719 -13.948 -7.909 1.00 0.00 H new ATOM 0 HG21 THR A 2 -5.041 -14.642 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 2 -5.855 -13.103 -8.347 1.00 0.00 H new ATOM 0 HG23 THR A 2 -4.289 -13.486 -9.101 1.00 0.00 H new ATOM 26 N ILE A 3 -2.434 -10.020 -5.984 1.00 0.00 N ATOM 27 CA ILE A 3 -2.002 -9.244 -4.834 1.00 0.00 C ATOM 28 C ILE A 3 -2.439 -7.788 -5.014 1.00 0.00 C ATOM 29 O ILE A 3 -3.052 -7.206 -4.120 1.00 0.00 O ATOM 30 CB ILE A 3 -0.498 -9.411 -4.609 1.00 0.00 C ATOM 31 CG1 ILE A 3 -0.172 -9.483 -3.115 1.00 0.00 C ATOM 32 CG2 ILE A 3 0.289 -8.305 -5.314 1.00 0.00 C ATOM 33 CD1 ILE A 3 0.146 -8.095 -2.556 1.00 0.00 C ATOM 0 H ILE A 3 -1.777 -10.028 -6.764 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.479 -9.611 -3.925 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.190 -10.358 -5.053 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -1.016 -9.912 -2.575 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.678 -10.147 -2.956 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.355 -8.448 -5.138 1.00 0.00 H new ATOM 0 HG22 ILE A 3 0.090 -8.343 -6.385 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -0.017 -7.335 -4.922 1.00 0.00 H new ATOM 0 HD11 ILE A 3 0.374 -8.174 -1.493 1.00 0.00 H new ATOM 0 HD12 ILE A 3 1.006 -7.679 -3.082 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -0.715 -7.441 -2.695 1.00 0.00 H new ATOM 45 N GLU A 4 -2.105 -7.242 -6.174 1.00 0.00 N ATOM 46 CA GLU A 4 -2.455 -5.866 -6.482 1.00 0.00 C ATOM 47 C GLU A 4 -3.943 -5.625 -6.216 1.00 0.00 C ATOM 48 O GLU A 4 -4.331 -4.541 -5.781 1.00 0.00 O ATOM 49 CB GLU A 4 -2.093 -5.519 -7.927 1.00 0.00 C ATOM 50 CG GLU A 4 -3.231 -5.887 -8.881 1.00 0.00 C ATOM 51 CD GLU A 4 -4.279 -4.775 -8.940 1.00 0.00 C ATOM 52 OE1 GLU A 4 -3.982 -3.623 -8.590 1.00 0.00 O ATOM 53 OE2 GLU A 4 -5.440 -5.141 -9.369 1.00 0.00 O ATOM 0 H GLU A 4 -1.596 -7.728 -6.912 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.878 -5.210 -5.830 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -1.878 -4.453 -8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -1.186 -6.050 -8.216 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -2.830 -6.067 -9.879 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -3.699 -6.815 -8.553 1.00 0.00 H new ATOM 61 N GLU A 5 -4.734 -6.652 -6.488 1.00 0.00 N ATOM 62 CA GLU A 5 -6.170 -6.564 -6.283 1.00 0.00 C ATOM 63 C GLU A 5 -6.492 -6.525 -4.788 1.00 0.00 C ATOM 64 O GLU A 5 -7.559 -6.059 -4.391 1.00 0.00 O ATOM 65 CB GLU A 5 -6.893 -7.725 -6.969 1.00 0.00 C ATOM 66 CG GLU A 5 -6.309 -9.070 -6.532 1.00 0.00 C ATOM 67 CD GLU A 5 -7.233 -10.224 -6.927 1.00 0.00 C ATOM 68 OE1 GLU A 5 -7.164 -11.307 -6.328 1.00 0.00 O ATOM 69 OE2 GLU A 5 -8.046 -9.964 -7.895 1.00 0.00 O ATOM 0 H GLU A 5 -4.408 -7.549 -6.848 1.00 0.00 H new ATOM 0 HA GLU A 5 -6.526 -5.638 -6.735 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.955 -7.690 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -6.809 -7.622 -8.051 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -5.330 -9.211 -6.989 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -6.160 -9.072 -5.452 1.00 0.00 H new ATOM 77 N ARG A 6 -5.550 -7.021 -3.999 1.00 0.00 N ATOM 78 CA ARG A 6 -5.720 -7.048 -2.557 1.00 0.00 C ATOM 79 C ARG A 6 -5.058 -5.823 -1.921 1.00 0.00 C ATOM 80 O ARG A 6 -5.480 -5.366 -0.860 1.00 0.00 O ATOM 81 CB ARG A 6 -5.113 -8.317 -1.954 1.00 0.00 C ATOM 82 CG ARG A 6 -5.915 -9.555 -2.361 1.00 0.00 C ATOM 83 CD ARG A 6 -5.059 -10.819 -2.264 1.00 0.00 C ATOM 84 NE ARG A 6 -4.676 -11.065 -0.856 1.00 0.00 N ATOM 85 CZ ARG A 6 -5.428 -11.764 0.021 1.00 0.00 C ATOM 86 NH1 ARG A 6 -6.610 -12.293 -0.359 1.00 0.00 N ATOM 87 NH2 ARG A 6 -4.989 -11.923 1.256 1.00 0.00 N ATOM 0 H ARG A 6 -4.667 -7.407 -4.332 1.00 0.00 H new ATOM 0 HA ARG A 6 -6.790 -7.036 -2.349 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -4.080 -8.423 -2.285 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -5.092 -8.234 -0.867 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.790 -9.654 -1.718 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -6.281 -9.437 -3.381 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.612 -11.674 -2.653 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -4.165 -10.711 -2.879 1.00 0.00 H new ATOM 0 HE ARG A 6 -3.789 -10.683 -0.528 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -6.942 -12.166 -1.315 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.172 -12.820 0.310 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -4.094 -11.521 1.535 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -5.545 -12.448 1.931 1.00 0.00 H new ATOM 100 N VAL A 7 -4.033 -5.326 -2.597 1.00 0.00 N ATOM 101 CA VAL A 7 -3.309 -4.164 -2.112 1.00 0.00 C ATOM 102 C VAL A 7 -4.270 -2.977 -2.009 1.00 0.00 C ATOM 103 O VAL A 7 -4.187 -2.186 -1.071 1.00 0.00 O ATOM 104 CB VAL A 7 -2.106 -3.883 -3.013 1.00 0.00 C ATOM 105 CG1 VAL A 7 -1.478 -2.527 -2.683 1.00 0.00 C ATOM 106 CG2 VAL A 7 -1.071 -5.005 -2.912 1.00 0.00 C ATOM 0 H VAL A 7 -3.687 -5.707 -3.477 1.00 0.00 H new ATOM 0 HA VAL A 7 -2.913 -4.350 -1.114 1.00 0.00 H new ATOM 0 HB VAL A 7 -2.461 -3.846 -4.043 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -0.625 -2.352 -3.338 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -2.216 -1.739 -2.830 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -1.145 -2.523 -1.645 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -0.226 -4.780 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -0.724 -5.088 -1.882 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -1.525 -5.947 -3.219 1.00 0.00 H new ATOM 116 N LYS A 8 -5.158 -2.890 -2.988 1.00 0.00 N ATOM 117 CA LYS A 8 -6.133 -1.813 -3.020 1.00 0.00 C ATOM 118 C LYS A 8 -6.913 -1.798 -1.704 1.00 0.00 C ATOM 119 O LYS A 8 -7.234 -0.732 -1.180 1.00 0.00 O ATOM 120 CB LYS A 8 -7.021 -1.931 -4.260 1.00 0.00 C ATOM 121 CG LYS A 8 -6.630 -0.895 -5.316 1.00 0.00 C ATOM 122 CD LYS A 8 -5.678 -1.499 -6.350 1.00 0.00 C ATOM 123 CE LYS A 8 -6.014 -1.005 -7.759 1.00 0.00 C ATOM 124 NZ LYS A 8 -6.848 -1.998 -8.472 1.00 0.00 N ATOM 0 H LYS A 8 -5.223 -3.548 -3.765 1.00 0.00 H new ATOM 0 HA LYS A 8 -5.633 -0.848 -3.105 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.934 -2.933 -4.679 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.065 -1.792 -3.979 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.525 -0.523 -5.814 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.155 -0.041 -4.834 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.650 -1.233 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.742 -2.587 -6.317 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -6.542 -0.053 -7.701 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.095 -0.826 -8.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.067 -1.647 -9.426 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.331 -2.898 -8.544 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -7.733 -2.149 -7.947 1.00 0.00 H new ATOM 137 N LYS A 9 -7.197 -2.993 -1.207 1.00 0.00 N ATOM 138 CA LYS A 9 -7.933 -3.131 0.037 1.00 0.00 C ATOM 139 C LYS A 9 -7.108 -2.538 1.182 1.00 0.00 C ATOM 140 O LYS A 9 -7.564 -1.630 1.875 1.00 0.00 O ATOM 141 CB LYS A 9 -8.338 -4.589 0.262 1.00 0.00 C ATOM 142 CG LYS A 9 -9.572 -4.949 -0.567 1.00 0.00 C ATOM 143 CD LYS A 9 -10.148 -6.299 -0.135 1.00 0.00 C ATOM 144 CE LYS A 9 -9.656 -7.423 -1.049 1.00 0.00 C ATOM 145 NZ LYS A 9 -9.267 -8.607 -0.251 1.00 0.00 N ATOM 0 H LYS A 9 -6.930 -3.875 -1.644 1.00 0.00 H new ATOM 0 HA LYS A 9 -8.866 -2.569 -0.009 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -7.511 -5.246 -0.007 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.545 -4.754 1.319 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.329 -4.173 -0.454 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -9.307 -4.984 -1.624 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -9.858 -6.509 0.894 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -11.237 -6.258 -0.157 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.440 -7.695 -1.755 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -8.805 -7.077 -1.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -8.936 -9.360 -0.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -8.504 -8.347 0.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -10.088 -8.946 0.289 1.00 0.00 H new ATOM 158 N ILE A 10 -5.908 -3.076 1.343 1.00 0.00 N ATOM 159 CA ILE A 10 -5.015 -2.612 2.391 1.00 0.00 C ATOM 160 C ILE A 10 -4.999 -1.083 2.402 1.00 0.00 C ATOM 161 O ILE A 10 -5.192 -0.463 3.446 1.00 0.00 O ATOM 162 CB ILE A 10 -3.629 -3.241 2.232 1.00 0.00 C ATOM 163 CG1 ILE A 10 -3.633 -4.701 2.690 1.00 0.00 C ATOM 164 CG2 ILE A 10 -2.565 -2.415 2.958 1.00 0.00 C ATOM 165 CD1 ILE A 10 -2.295 -5.376 2.383 1.00 0.00 C ATOM 0 H ILE A 10 -5.533 -3.829 0.765 1.00 0.00 H new ATOM 0 HA ILE A 10 -5.375 -2.934 3.368 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.372 -3.237 1.173 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -3.831 -4.749 3.761 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.439 -5.240 2.192 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -1.590 -2.884 2.829 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.541 -1.407 2.543 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.806 -2.364 4.020 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.325 -6.413 2.719 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.111 -5.348 1.309 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.494 -4.849 2.902 1.00 0.00 H new ATOM 177 N ILE A 11 -4.766 -0.517 1.226 1.00 0.00 N ATOM 178 CA ILE A 11 -4.722 0.928 1.086 1.00 0.00 C ATOM 179 C ILE A 11 -6.138 1.492 1.217 1.00 0.00 C ATOM 180 O ILE A 11 -6.318 2.642 1.616 1.00 0.00 O ATOM 181 CB ILE A 11 -4.022 1.320 -0.217 1.00 0.00 C ATOM 182 CG1 ILE A 11 -2.705 0.560 -0.381 1.00 0.00 C ATOM 183 CG2 ILE A 11 -3.824 2.835 -0.299 1.00 0.00 C ATOM 184 CD1 ILE A 11 -1.739 0.883 0.761 1.00 0.00 C ATOM 0 H ILE A 11 -4.606 -1.034 0.362 1.00 0.00 H new ATOM 0 HA ILE A 11 -4.127 1.370 1.885 1.00 0.00 H new ATOM 0 HB ILE A 11 -4.665 1.034 -1.050 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -2.900 -0.512 -0.404 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -2.247 0.821 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -3.324 3.087 -1.235 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.794 3.331 -0.261 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.213 3.168 0.540 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.811 0.329 0.620 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.527 1.952 0.767 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -2.191 0.598 1.711 1.00 0.00 H new ATOM 196 N GLY A 12 -7.108 0.657 0.874 1.00 0.00 N ATOM 197 CA GLY A 12 -8.502 1.058 0.948 1.00 0.00 C ATOM 198 C GLY A 12 -8.974 1.137 2.402 1.00 0.00 C ATOM 199 O GLY A 12 -9.913 1.867 2.715 1.00 0.00 O ATOM 0 H GLY A 12 -6.955 -0.296 0.544 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.631 2.028 0.467 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -9.119 0.346 0.400 1.00 0.00 H new ATOM 203 N GLN A 13 -8.300 0.375 3.251 1.00 0.00 N ATOM 204 CA GLN A 13 -8.638 0.349 4.664 1.00 0.00 C ATOM 205 C GLN A 13 -7.612 1.148 5.470 1.00 0.00 C ATOM 206 O GLN A 13 -7.975 2.051 6.223 1.00 0.00 O ATOM 207 CB GLN A 13 -8.740 -1.088 5.178 1.00 0.00 C ATOM 208 CG GLN A 13 -10.173 -1.420 5.599 1.00 0.00 C ATOM 209 CD GLN A 13 -10.703 -0.391 6.599 1.00 0.00 C ATOM 210 OE1 GLN A 13 -9.956 0.306 7.266 1.00 0.00 O ATOM 211 NE2 GLN A 13 -12.030 -0.336 6.667 1.00 0.00 N ATOM 0 H GLN A 13 -7.521 -0.229 2.987 1.00 0.00 H new ATOM 0 HA GLN A 13 -9.615 0.815 4.792 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.416 -1.780 4.400 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -8.068 -1.223 6.025 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.818 -1.444 4.720 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -10.204 -2.414 6.044 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -12.597 -0.948 6.080 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -12.481 0.319 7.306 1.00 0.00 H new ATOM 220 N GLN A 14 -6.351 0.788 5.284 1.00 0.00 N ATOM 221 CA GLN A 14 -5.269 1.460 5.984 1.00 0.00 C ATOM 222 C GLN A 14 -5.423 2.978 5.866 1.00 0.00 C ATOM 223 O GLN A 14 -5.633 3.663 6.866 1.00 0.00 O ATOM 224 CB GLN A 14 -3.908 1.004 5.457 1.00 0.00 C ATOM 225 CG GLN A 14 -3.614 -0.439 5.870 1.00 0.00 C ATOM 226 CD GLN A 14 -3.821 -0.632 7.374 1.00 0.00 C ATOM 227 OE1 GLN A 14 -2.924 -0.444 8.179 1.00 0.00 O ATOM 228 NE2 GLN A 14 -5.050 -1.015 7.706 1.00 0.00 N ATOM 0 H GLN A 14 -6.054 0.039 4.658 1.00 0.00 H new ATOM 0 HA GLN A 14 -5.322 1.190 7.039 1.00 0.00 H new ATOM 0 HB2 GLN A 14 -3.889 1.086 4.370 1.00 0.00 H new ATOM 0 HB3 GLN A 14 -3.127 1.661 5.840 1.00 0.00 H new ATOM 0 HG2 GLN A 14 -4.265 -1.118 5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 14 -2.588 -0.695 5.605 1.00 0.00 H new ATOM 0 HE21 GLN A 14 -5.754 -1.154 6.981 1.00 0.00 H new ATOM 0 HE22 GLN A 14 -5.289 -1.169 8.686 1.00 0.00 H new ATOM 237 N LEU A 15 -5.313 3.458 4.637 1.00 0.00 N ATOM 238 CA LEU A 15 -5.437 4.882 4.375 1.00 0.00 C ATOM 239 C LEU A 15 -6.762 5.387 4.949 1.00 0.00 C ATOM 240 O LEU A 15 -6.775 6.273 5.802 1.00 0.00 O ATOM 241 CB LEU A 15 -5.263 5.170 2.883 1.00 0.00 C ATOM 242 CG LEU A 15 -3.945 4.704 2.259 1.00 0.00 C ATOM 243 CD1 LEU A 15 -3.604 5.531 1.018 1.00 0.00 C ATOM 244 CD2 LEU A 15 -2.814 4.723 3.289 1.00 0.00 C ATOM 0 H LEU A 15 -5.139 2.886 3.811 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.641 5.433 4.876 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -6.084 4.698 2.344 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.356 6.245 2.727 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.067 3.671 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.663 5.180 0.594 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.398 5.423 0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -3.507 6.581 1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.889 4.388 2.820 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.683 5.737 3.666 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.064 4.058 4.116 1.00 0.00 H new ATOM 256 N GLY A 16 -7.844 4.804 4.456 1.00 0.00 N ATOM 257 CA GLY A 16 -9.171 5.184 4.909 1.00 0.00 C ATOM 258 C GLY A 16 -9.986 5.797 3.767 1.00 0.00 C ATOM 259 O GLY A 16 -10.520 6.896 3.902 1.00 0.00 O ATOM 0 H GLY A 16 -7.829 4.071 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -9.689 4.309 5.302 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -9.089 5.900 5.727 1.00 0.00 H new ATOM 263 N VAL A 17 -10.055 5.058 2.670 1.00 0.00 N ATOM 264 CA VAL A 17 -10.795 5.514 1.506 1.00 0.00 C ATOM 265 C VAL A 17 -11.742 4.406 1.042 1.00 0.00 C ATOM 266 O VAL A 17 -11.872 3.378 1.705 1.00 0.00 O ATOM 267 CB VAL A 17 -9.824 5.967 0.413 1.00 0.00 C ATOM 268 CG1 VAL A 17 -10.476 7.003 -0.505 1.00 0.00 C ATOM 269 CG2 VAL A 17 -8.529 6.510 1.020 1.00 0.00 C ATOM 0 H VAL A 17 -9.610 4.146 2.563 1.00 0.00 H new ATOM 0 HA VAL A 17 -11.407 6.380 1.758 1.00 0.00 H new ATOM 0 HB VAL A 17 -9.571 5.096 -0.192 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -9.765 7.308 -1.273 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -11.356 6.567 -0.978 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -10.773 7.873 0.081 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.857 6.825 0.222 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -8.757 7.363 1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -8.049 5.730 1.612 1.00 0.00 H new ATOM 279 N LYS A 18 -12.379 4.653 -0.093 1.00 0.00 N ATOM 280 CA LYS A 18 -13.311 3.689 -0.653 1.00 0.00 C ATOM 281 C LYS A 18 -12.628 2.927 -1.791 1.00 0.00 C ATOM 282 O LYS A 18 -11.465 3.180 -2.101 1.00 0.00 O ATOM 283 CB LYS A 18 -14.612 4.379 -1.069 1.00 0.00 C ATOM 284 CG LYS A 18 -15.465 4.723 0.154 1.00 0.00 C ATOM 285 CD LYS A 18 -15.019 6.046 0.780 1.00 0.00 C ATOM 286 CE LYS A 18 -15.212 6.027 2.297 1.00 0.00 C ATOM 287 NZ LYS A 18 -14.989 7.376 2.865 1.00 0.00 N ATOM 0 H LYS A 18 -12.268 5.507 -0.640 1.00 0.00 H new ATOM 0 HA LYS A 18 -13.595 2.953 0.099 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -14.384 5.288 -1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -15.175 3.729 -1.738 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.513 4.789 -0.137 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -15.389 3.924 0.891 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -13.970 6.228 0.546 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -15.590 6.868 0.347 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -16.219 5.687 2.537 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -14.520 5.317 2.749 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -15.124 7.345 3.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -14.020 7.687 2.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -15.667 8.045 2.447 1.00 0.00 H new ATOM 300 N GLN A 19 -13.380 2.011 -2.382 1.00 0.00 N ATOM 301 CA GLN A 19 -12.862 1.211 -3.479 1.00 0.00 C ATOM 302 C GLN A 19 -13.265 1.826 -4.821 1.00 0.00 C ATOM 303 O GLN A 19 -13.951 1.189 -5.619 1.00 0.00 O ATOM 304 CB GLN A 19 -13.340 -0.238 -3.375 1.00 0.00 C ATOM 305 CG GLN A 19 -12.729 -0.930 -2.155 1.00 0.00 C ATOM 306 CD GLN A 19 -12.043 -2.239 -2.553 1.00 0.00 C ATOM 307 OE1 GLN A 19 -10.857 -2.424 -1.980 1.00 0.00 O flip ATOM 308 NE2 GLN A 19 -12.557 -3.028 -3.329 1.00 0.00 N flip ATOM 0 H GLN A 19 -14.344 1.805 -2.122 1.00 0.00 H new ATOM 0 HA GLN A 19 -11.774 1.205 -3.416 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -14.427 -0.262 -3.305 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -13.067 -0.781 -4.280 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -12.006 -0.266 -1.680 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -13.508 -1.132 -1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -13.471 -2.824 -3.733 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -12.073 -3.892 -3.573 1.00 0.00 H new ATOM 317 N GLU A 20 -12.821 3.057 -5.029 1.00 0.00 N ATOM 318 CA GLU A 20 -13.127 3.765 -6.260 1.00 0.00 C ATOM 319 C GLU A 20 -12.123 4.898 -6.484 1.00 0.00 C ATOM 320 O GLU A 20 -11.605 5.065 -7.587 1.00 0.00 O ATOM 321 CB GLU A 20 -14.561 4.298 -6.245 1.00 0.00 C ATOM 322 CG GLU A 20 -15.531 3.279 -6.846 1.00 0.00 C ATOM 323 CD GLU A 20 -16.573 2.840 -5.816 1.00 0.00 C ATOM 324 OE1 GLU A 20 -17.131 3.685 -5.100 1.00 0.00 O ATOM 325 OE2 GLU A 20 -16.799 1.571 -5.775 1.00 0.00 O ATOM 0 H GLU A 20 -12.252 3.582 -4.365 1.00 0.00 H new ATOM 0 HA GLU A 20 -13.045 3.063 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.857 4.527 -5.221 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.612 5.230 -6.808 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -16.031 3.714 -7.711 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.977 2.410 -7.201 1.00 0.00 H new ATOM 333 N GLU A 21 -11.879 5.648 -5.420 1.00 0.00 N ATOM 334 CA GLU A 21 -10.946 6.761 -5.486 1.00 0.00 C ATOM 335 C GLU A 21 -9.519 6.273 -5.234 1.00 0.00 C ATOM 336 O GLU A 21 -8.606 7.078 -5.056 1.00 0.00 O ATOM 337 CB GLU A 21 -11.333 7.861 -4.495 1.00 0.00 C ATOM 338 CG GLU A 21 -12.762 8.348 -4.747 1.00 0.00 C ATOM 339 CD GLU A 21 -12.775 9.530 -5.719 1.00 0.00 C ATOM 340 OE1 GLU A 21 -11.758 10.224 -5.864 1.00 0.00 O ATOM 341 OE2 GLU A 21 -13.892 9.716 -6.336 1.00 0.00 O ATOM 0 H GLU A 21 -12.311 5.507 -4.507 1.00 0.00 H new ATOM 0 HA GLU A 21 -10.991 7.188 -6.488 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -11.248 7.484 -3.476 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -10.639 8.697 -4.584 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -13.362 7.533 -5.152 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -13.221 8.643 -3.804 1.00 0.00 H new ATOM 349 N VAL A 22 -9.370 4.956 -5.226 1.00 0.00 N ATOM 350 CA VAL A 22 -8.069 4.351 -4.998 1.00 0.00 C ATOM 351 C VAL A 22 -7.572 3.715 -6.297 1.00 0.00 C ATOM 352 O VAL A 22 -7.938 2.585 -6.618 1.00 0.00 O ATOM 353 CB VAL A 22 -8.150 3.357 -3.838 1.00 0.00 C ATOM 354 CG1 VAL A 22 -7.072 2.279 -3.963 1.00 0.00 C ATOM 355 CG2 VAL A 22 -8.051 4.077 -2.491 1.00 0.00 C ATOM 0 H VAL A 22 -10.129 4.291 -5.374 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.341 5.109 -4.708 1.00 0.00 H new ATOM 0 HB VAL A 22 -9.122 2.866 -3.885 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -7.152 1.586 -3.126 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -7.207 1.736 -4.898 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.087 2.746 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -8.111 3.348 -1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.101 4.607 -2.431 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -8.871 4.790 -2.398 1.00 0.00 H new ATOM 365 N THR A 23 -6.747 4.467 -7.010 1.00 0.00 N ATOM 366 CA THR A 23 -6.197 3.990 -8.267 1.00 0.00 C ATOM 367 C THR A 23 -4.707 3.679 -8.114 1.00 0.00 C ATOM 368 O THR A 23 -4.190 3.633 -6.998 1.00 0.00 O ATOM 369 CB THR A 23 -6.491 5.040 -9.341 1.00 0.00 C ATOM 370 OG1 THR A 23 -5.820 6.208 -8.876 1.00 0.00 O ATOM 371 CG2 THR A 23 -7.965 5.446 -9.375 1.00 0.00 C ATOM 0 H THR A 23 -6.446 5.404 -6.741 1.00 0.00 H new ATOM 0 HA THR A 23 -6.663 3.053 -8.572 1.00 0.00 H new ATOM 0 HB THR A 23 -6.199 4.653 -10.317 1.00 0.00 H new ATOM 0 HG1 THR A 23 -5.956 6.939 -9.514 1.00 0.00 H new ATOM 0 HG21 THR A 23 -8.119 6.193 -10.154 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.579 4.570 -9.585 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.249 5.865 -8.410 1.00 0.00 H new ATOM 379 N ASN A 24 -4.057 3.473 -9.250 1.00 0.00 N ATOM 380 CA ASN A 24 -2.637 3.168 -9.256 1.00 0.00 C ATOM 381 C ASN A 24 -1.839 4.473 -9.253 1.00 0.00 C ATOM 382 O ASN A 24 -0.860 4.604 -8.521 1.00 0.00 O ATOM 383 CB ASN A 24 -2.248 2.379 -10.508 1.00 0.00 C ATOM 384 CG ASN A 24 -2.707 0.923 -10.403 1.00 0.00 C ATOM 385 OD1 ASN A 24 -2.293 0.175 -9.533 1.00 0.00 O ATOM 386 ND2 ASN A 24 -3.584 0.564 -11.336 1.00 0.00 N ATOM 0 H ASN A 24 -4.488 3.511 -10.173 1.00 0.00 H new ATOM 0 HA ASN A 24 -2.417 2.571 -8.371 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -2.695 2.842 -11.388 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -1.167 2.414 -10.643 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -3.951 -0.387 -11.352 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -3.889 1.240 -12.036 1.00 0.00 H new ATOM 393 N ASN A 25 -2.288 5.405 -10.081 1.00 0.00 N ATOM 394 CA ASN A 25 -1.627 6.696 -10.183 1.00 0.00 C ATOM 395 C ASN A 25 -2.300 7.685 -9.229 1.00 0.00 C ATOM 396 O ASN A 25 -2.405 8.872 -9.533 1.00 0.00 O ATOM 397 CB ASN A 25 -1.735 7.259 -11.601 1.00 0.00 C ATOM 398 CG ASN A 25 -0.569 6.783 -12.470 1.00 0.00 C ATOM 399 OD1 ASN A 25 0.520 7.334 -12.449 1.00 0.00 O ATOM 400 ND2 ASN A 25 -0.856 5.733 -13.233 1.00 0.00 N ATOM 0 H ASN A 25 -3.101 5.292 -10.687 1.00 0.00 H new ATOM 0 HA ASN A 25 -0.576 6.558 -9.929 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.678 6.947 -12.049 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -1.745 8.348 -11.564 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -0.144 5.341 -13.849 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -1.788 5.320 -13.202 1.00 0.00 H new ATOM 407 N ALA A 26 -2.740 7.159 -8.095 1.00 0.00 N ATOM 408 CA ALA A 26 -3.400 7.981 -7.095 1.00 0.00 C ATOM 409 C ALA A 26 -2.502 8.095 -5.862 1.00 0.00 C ATOM 410 O ALA A 26 -2.659 7.339 -4.904 1.00 0.00 O ATOM 411 CB ALA A 26 -4.770 7.384 -6.767 1.00 0.00 C ATOM 0 H ALA A 26 -2.652 6.174 -7.847 1.00 0.00 H new ATOM 0 HA ALA A 26 -3.567 8.989 -7.475 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -5.265 8.000 -6.017 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.379 7.353 -7.670 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -4.643 6.373 -6.380 1.00 0.00 H new ATOM 417 N SER A 27 -1.581 9.045 -5.925 1.00 0.00 N ATOM 418 CA SER A 27 -0.659 9.268 -4.825 1.00 0.00 C ATOM 419 C SER A 27 -1.408 9.840 -3.621 1.00 0.00 C ATOM 420 O SER A 27 -1.230 11.006 -3.270 1.00 0.00 O ATOM 421 CB SER A 27 0.476 10.207 -5.239 1.00 0.00 C ATOM 422 OG SER A 27 0.910 9.964 -6.574 1.00 0.00 O ATOM 0 H SER A 27 -1.454 9.669 -6.721 1.00 0.00 H new ATOM 0 HA SER A 27 -0.219 8.310 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 27 0.142 11.241 -5.149 1.00 0.00 H new ATOM 0 HB3 SER A 27 1.317 10.083 -4.556 1.00 0.00 H new ATOM 0 HG SER A 27 1.634 10.585 -6.801 1.00 0.00 H new ATOM 428 N PHE A 28 -2.231 8.993 -3.020 1.00 0.00 N ATOM 429 CA PHE A 28 -3.009 9.400 -1.862 1.00 0.00 C ATOM 430 C PHE A 28 -2.211 10.358 -0.974 1.00 0.00 C ATOM 431 O PHE A 28 -2.777 11.269 -0.373 1.00 0.00 O ATOM 432 CB PHE A 28 -3.326 8.131 -1.067 1.00 0.00 C ATOM 433 CG PHE A 28 -2.089 7.330 -0.655 1.00 0.00 C ATOM 434 CD1 PHE A 28 -1.309 7.763 0.372 1.00 0.00 C ATOM 435 CD2 PHE A 28 -1.769 6.185 -1.316 1.00 0.00 C ATOM 436 CE1 PHE A 28 -0.162 7.020 0.754 1.00 0.00 C ATOM 437 CE2 PHE A 28 -0.622 5.442 -0.934 1.00 0.00 C ATOM 438 CZ PHE A 28 0.158 5.875 0.093 1.00 0.00 C ATOM 0 H PHE A 28 -2.376 8.027 -3.313 1.00 0.00 H new ATOM 0 HA PHE A 28 -3.914 9.915 -2.184 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -3.884 8.405 -0.171 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -3.977 7.493 -1.665 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -1.563 8.672 0.897 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.388 5.841 -2.132 1.00 0.00 H new ATOM 0 HE1 PHE A 28 0.457 7.364 1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.368 4.533 -1.459 1.00 0.00 H new ATOM 0 HZ PHE A 28 1.031 5.310 0.383 1.00 0.00 H new ATOM 448 N VAL A 29 -0.910 10.117 -0.920 1.00 0.00 N ATOM 449 CA VAL A 29 -0.028 10.947 -0.116 1.00 0.00 C ATOM 450 C VAL A 29 -0.507 12.399 -0.176 1.00 0.00 C ATOM 451 O VAL A 29 -1.079 12.908 0.787 1.00 0.00 O ATOM 452 CB VAL A 29 1.420 10.775 -0.580 1.00 0.00 C ATOM 453 CG1 VAL A 29 2.390 11.446 0.393 1.00 0.00 C ATOM 454 CG2 VAL A 29 1.764 9.296 -0.765 1.00 0.00 C ATOM 0 H VAL A 29 -0.445 9.359 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.059 10.637 0.929 1.00 0.00 H new ATOM 0 HB VAL A 29 1.523 11.266 -1.548 1.00 0.00 H new ATOM 0 HG11 VAL A 29 3.412 11.309 0.040 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.166 12.511 0.453 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.284 10.997 1.380 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.799 9.202 -1.095 1.00 0.00 H new ATOM 0 HG22 VAL A 29 1.636 8.771 0.182 1.00 0.00 H new ATOM 0 HG23 VAL A 29 1.103 8.860 -1.514 1.00 0.00 H new ATOM 464 N GLU A 30 -0.255 13.025 -1.316 1.00 0.00 N ATOM 465 CA GLU A 30 -0.653 14.408 -1.514 1.00 0.00 C ATOM 466 C GLU A 30 -1.967 14.476 -2.294 1.00 0.00 C ATOM 467 O GLU A 30 -2.834 15.293 -1.987 1.00 0.00 O ATOM 468 CB GLU A 30 0.448 15.199 -2.224 1.00 0.00 C ATOM 469 CG GLU A 30 0.270 16.703 -2.006 1.00 0.00 C ATOM 470 CD GLU A 30 -0.572 17.324 -3.122 1.00 0.00 C ATOM 471 OE1 GLU A 30 -0.530 16.850 -4.267 1.00 0.00 O ATOM 472 OE2 GLU A 30 -1.291 18.334 -2.765 1.00 0.00 O ATOM 0 H GLU A 30 0.220 12.600 -2.112 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.810 14.864 -0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.423 14.887 -1.851 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.429 14.978 -3.291 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.209 16.880 -1.043 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.246 17.187 -1.970 1.00 0.00 H new ATOM 480 N ASP A 31 -2.074 13.607 -3.289 1.00 0.00 N ATOM 481 CA ASP A 31 -3.268 13.558 -4.115 1.00 0.00 C ATOM 482 C ASP A 31 -4.506 13.642 -3.221 1.00 0.00 C ATOM 483 O ASP A 31 -5.272 14.601 -3.303 1.00 0.00 O ATOM 484 CB ASP A 31 -3.340 12.247 -4.901 1.00 0.00 C ATOM 485 CG ASP A 31 -2.350 12.133 -6.062 1.00 0.00 C ATOM 486 OD1 ASP A 31 -2.597 11.418 -7.044 1.00 0.00 O ATOM 487 OD2 ASP A 31 -1.271 12.827 -5.927 1.00 0.00 O ATOM 0 H ASP A 31 -1.353 12.931 -3.541 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.230 14.395 -4.812 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -3.167 11.419 -4.214 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.351 12.131 -5.292 1.00 0.00 H new ATOM 493 N LEU A 32 -4.664 12.625 -2.386 1.00 0.00 N ATOM 494 CA LEU A 32 -5.796 12.571 -1.477 1.00 0.00 C ATOM 495 C LEU A 32 -5.385 13.152 -0.123 1.00 0.00 C ATOM 496 O LEU A 32 -5.617 14.329 0.148 1.00 0.00 O ATOM 497 CB LEU A 32 -6.350 11.147 -1.394 1.00 0.00 C ATOM 498 CG LEU A 32 -7.099 10.645 -2.629 1.00 0.00 C ATOM 499 CD1 LEU A 32 -6.271 9.607 -3.388 1.00 0.00 C ATOM 500 CD2 LEU A 32 -8.482 10.111 -2.252 1.00 0.00 C ATOM 0 H LEU A 32 -4.026 11.832 -2.320 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.615 13.185 -1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.521 10.467 -1.195 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.022 11.089 -0.538 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.252 11.489 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -6.827 9.266 -4.262 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -5.330 10.055 -3.708 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.065 8.758 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -8.993 9.760 -3.148 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.374 9.285 -1.549 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -9.066 10.907 -1.789 1.00 0.00 H new ATOM 512 N GLY A 33 -4.781 12.299 0.692 1.00 0.00 N ATOM 513 CA GLY A 33 -4.335 12.713 2.011 1.00 0.00 C ATOM 514 C GLY A 33 -4.082 11.501 2.910 1.00 0.00 C ATOM 515 O GLY A 33 -5.018 10.934 3.472 1.00 0.00 O ATOM 0 H GLY A 33 -4.590 11.323 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -3.422 13.301 1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -5.086 13.358 2.467 1.00 0.00 H new ATOM 519 N ALA A 34 -2.812 11.138 3.016 1.00 0.00 N ATOM 520 CA ALA A 34 -2.424 10.003 3.837 1.00 0.00 C ATOM 521 C ALA A 34 -0.968 10.171 4.276 1.00 0.00 C ATOM 522 O ALA A 34 -0.055 9.693 3.605 1.00 0.00 O ATOM 523 CB ALA A 34 -2.652 8.707 3.056 1.00 0.00 C ATOM 0 H ALA A 34 -2.039 11.610 2.547 1.00 0.00 H new ATOM 0 HA ALA A 34 -3.036 9.953 4.738 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -2.361 7.856 3.671 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.706 8.621 2.793 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.051 8.720 2.147 1.00 0.00 H new ATOM 529 N ASP A 35 -0.797 10.852 5.400 1.00 0.00 N ATOM 530 CA ASP A 35 0.532 11.088 5.936 1.00 0.00 C ATOM 531 C ASP A 35 0.559 10.691 7.414 1.00 0.00 C ATOM 532 O ASP A 35 1.482 11.054 8.141 1.00 0.00 O ATOM 533 CB ASP A 35 0.911 12.567 5.837 1.00 0.00 C ATOM 534 CG ASP A 35 1.939 12.901 4.754 1.00 0.00 C ATOM 535 OD1 ASP A 35 2.040 12.204 3.734 1.00 0.00 O ATOM 536 OD2 ASP A 35 2.666 13.939 4.994 1.00 0.00 O ATOM 0 H ASP A 35 -1.557 11.248 5.954 1.00 0.00 H new ATOM 0 HA ASP A 35 1.240 10.495 5.357 1.00 0.00 H new ATOM 0 HB2 ASP A 35 0.007 13.146 5.649 1.00 0.00 H new ATOM 0 HB3 ASP A 35 1.303 12.891 6.801 1.00 0.00 H new ATOM 542 N SER A 36 -0.465 9.951 7.813 1.00 0.00 N ATOM 543 CA SER A 36 -0.570 9.501 9.191 1.00 0.00 C ATOM 544 C SER A 36 -0.536 7.973 9.246 1.00 0.00 C ATOM 545 O SER A 36 0.434 7.387 9.724 1.00 0.00 O ATOM 546 CB SER A 36 -1.848 10.028 9.846 1.00 0.00 C ATOM 547 OG SER A 36 -1.706 11.375 10.287 1.00 0.00 O ATOM 0 H SER A 36 -1.229 9.652 7.207 1.00 0.00 H new ATOM 0 HA SER A 36 0.280 9.897 9.746 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.672 9.964 9.136 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.108 9.395 10.694 1.00 0.00 H new ATOM 0 HG SER A 36 -2.544 11.675 10.698 1.00 0.00 H new ATOM 553 N LEU A 37 -1.607 7.370 8.750 1.00 0.00 N ATOM 554 CA LEU A 37 -1.712 5.921 8.736 1.00 0.00 C ATOM 555 C LEU A 37 -1.390 5.404 7.333 1.00 0.00 C ATOM 556 O LEU A 37 -1.872 4.345 6.932 1.00 0.00 O ATOM 557 CB LEU A 37 -3.081 5.479 9.256 1.00 0.00 C ATOM 558 CG LEU A 37 -4.199 6.520 9.173 1.00 0.00 C ATOM 559 CD1 LEU A 37 -5.574 5.856 9.256 1.00 0.00 C ATOM 560 CD2 LEU A 37 -4.020 7.602 10.240 1.00 0.00 C ATOM 0 H LEU A 37 -2.410 7.859 8.355 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.981 5.479 9.414 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.392 4.596 8.697 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.971 5.175 10.297 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.137 7.011 8.202 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.351 6.618 9.195 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.689 5.153 8.431 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.664 5.322 10.202 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.828 8.330 10.159 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.041 7.145 11.229 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.064 8.104 10.093 1.00 0.00 H new ATOM 572 N ASP A 38 -0.578 6.175 6.625 1.00 0.00 N ATOM 573 CA ASP A 38 -0.186 5.807 5.274 1.00 0.00 C ATOM 574 C ASP A 38 0.804 4.642 5.334 1.00 0.00 C ATOM 575 O ASP A 38 0.401 3.480 5.317 1.00 0.00 O ATOM 576 CB ASP A 38 0.501 6.975 4.564 1.00 0.00 C ATOM 577 CG ASP A 38 1.269 7.929 5.481 1.00 0.00 C ATOM 578 OD1 ASP A 38 0.843 8.209 6.611 1.00 0.00 O ATOM 579 OD2 ASP A 38 2.363 8.399 4.985 1.00 0.00 O ATOM 0 H ASP A 38 -0.181 7.052 6.961 1.00 0.00 H new ATOM 0 HA ASP A 38 -1.086 5.529 4.725 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.192 6.574 3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.253 7.545 4.022 1.00 0.00 H new ATOM 585 N THR A 39 2.079 4.994 5.404 1.00 0.00 N ATOM 586 CA THR A 39 3.130 3.991 5.466 1.00 0.00 C ATOM 587 C THR A 39 2.932 3.087 6.685 1.00 0.00 C ATOM 588 O THR A 39 2.818 1.870 6.547 1.00 0.00 O ATOM 589 CB THR A 39 4.476 4.717 5.460 1.00 0.00 C ATOM 590 OG1 THR A 39 4.289 5.804 6.363 1.00 0.00 O ATOM 591 CG2 THR A 39 4.772 5.392 4.120 1.00 0.00 C ATOM 0 H THR A 39 2.409 5.959 5.419 1.00 0.00 H new ATOM 0 HA THR A 39 3.098 3.329 4.601 1.00 0.00 H new ATOM 0 HB THR A 39 5.271 4.008 5.692 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.116 6.327 6.421 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.739 5.893 4.170 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.793 4.640 3.331 1.00 0.00 H new ATOM 0 HG23 THR A 39 3.995 6.125 3.902 1.00 0.00 H new ATOM 599 N VAL A 40 2.897 3.717 7.850 1.00 0.00 N ATOM 600 CA VAL A 40 2.715 2.985 9.091 1.00 0.00 C ATOM 601 C VAL A 40 1.701 1.860 8.871 1.00 0.00 C ATOM 602 O VAL A 40 2.078 0.735 8.546 1.00 0.00 O ATOM 603 CB VAL A 40 2.308 3.945 10.211 1.00 0.00 C ATOM 604 CG1 VAL A 40 1.914 3.178 11.475 1.00 0.00 C ATOM 605 CG2 VAL A 40 3.424 4.950 10.504 1.00 0.00 C ATOM 0 H VAL A 40 2.992 4.727 7.960 1.00 0.00 H new ATOM 0 HA VAL A 40 3.652 2.523 9.402 1.00 0.00 H new ATOM 0 HB VAL A 40 1.435 4.503 9.873 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.629 3.884 12.255 1.00 0.00 H new ATOM 0 HG12 VAL A 40 1.072 2.522 11.255 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.760 2.581 11.817 1.00 0.00 H new ATOM 0 HG21 VAL A 40 3.109 5.620 11.304 1.00 0.00 H new ATOM 0 HG22 VAL A 40 4.323 4.416 10.811 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.636 5.531 9.606 1.00 0.00 H new ATOM 615 N GLU A 41 0.435 2.203 9.056 1.00 0.00 N ATOM 616 CA GLU A 41 -0.636 1.236 8.882 1.00 0.00 C ATOM 617 C GLU A 41 -0.335 0.319 7.694 1.00 0.00 C ATOM 618 O GLU A 41 -0.347 -0.903 7.830 1.00 0.00 O ATOM 619 CB GLU A 41 -1.984 1.937 8.706 1.00 0.00 C ATOM 620 CG GLU A 41 -2.942 1.577 9.844 1.00 0.00 C ATOM 621 CD GLU A 41 -4.399 1.725 9.402 1.00 0.00 C ATOM 622 OE1 GLU A 41 -4.800 2.804 8.941 1.00 0.00 O ATOM 623 OE2 GLU A 41 -5.124 0.669 9.550 1.00 0.00 O ATOM 0 H GLU A 41 0.126 3.137 9.325 1.00 0.00 H new ATOM 0 HA GLU A 41 -0.697 0.624 9.782 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -1.836 3.017 8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -2.425 1.651 7.751 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -2.759 0.552 10.168 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -2.751 2.221 10.702 1.00 0.00 H new ATOM 631 N LEU A 42 -0.072 0.946 6.556 1.00 0.00 N ATOM 632 CA LEU A 42 0.232 0.202 5.346 1.00 0.00 C ATOM 633 C LEU A 42 1.168 -0.959 5.686 1.00 0.00 C ATOM 634 O LEU A 42 0.891 -2.107 5.343 1.00 0.00 O ATOM 635 CB LEU A 42 0.779 1.137 4.265 1.00 0.00 C ATOM 636 CG LEU A 42 1.341 0.460 3.014 1.00 0.00 C ATOM 637 CD1 LEU A 42 1.615 1.485 1.912 1.00 0.00 C ATOM 638 CD2 LEU A 42 2.584 -0.367 3.349 1.00 0.00 C ATOM 0 H LEU A 42 -0.063 1.960 6.447 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.676 -0.233 4.929 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -0.019 1.814 3.960 1.00 0.00 H new ATOM 0 HB3 LEU A 42 1.565 1.750 4.706 1.00 0.00 H new ATOM 0 HG LEU A 42 0.588 -0.230 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 42 2.014 0.977 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 42 0.687 1.992 1.648 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.340 2.217 2.268 1.00 0.00 H new ATOM 0 HD21 LEU A 42 2.963 -0.838 2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 42 3.351 0.283 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 42 2.324 -1.137 4.075 1.00 0.00 H new ATOM 650 N VAL A 43 2.259 -0.619 6.357 1.00 0.00 N ATOM 651 CA VAL A 43 3.239 -1.619 6.748 1.00 0.00 C ATOM 652 C VAL A 43 2.515 -2.842 7.314 1.00 0.00 C ATOM 653 O VAL A 43 2.511 -3.906 6.697 1.00 0.00 O ATOM 654 CB VAL A 43 4.243 -1.011 7.730 1.00 0.00 C ATOM 655 CG1 VAL A 43 5.360 -2.005 8.057 1.00 0.00 C ATOM 656 CG2 VAL A 43 4.817 0.299 7.187 1.00 0.00 C ATOM 0 H VAL A 43 2.486 0.334 6.640 1.00 0.00 H new ATOM 0 HA VAL A 43 3.812 -1.952 5.882 1.00 0.00 H new ATOM 0 HB VAL A 43 3.712 -0.786 8.655 1.00 0.00 H new ATOM 0 HG11 VAL A 43 6.060 -1.548 8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.930 -2.900 8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 43 5.886 -2.275 7.141 1.00 0.00 H new ATOM 0 HG21 VAL A 43 5.528 0.710 7.904 1.00 0.00 H new ATOM 0 HG22 VAL A 43 5.325 0.109 6.241 1.00 0.00 H new ATOM 0 HG23 VAL A 43 4.008 1.012 7.028 1.00 0.00 H new ATOM 666 N MET A 44 1.920 -2.650 8.482 1.00 0.00 N ATOM 667 CA MET A 44 1.194 -3.724 9.138 1.00 0.00 C ATOM 668 C MET A 44 0.299 -4.468 8.145 1.00 0.00 C ATOM 669 O MET A 44 0.318 -5.696 8.086 1.00 0.00 O ATOM 670 CB MET A 44 0.336 -3.147 10.266 1.00 0.00 C ATOM 671 CG MET A 44 1.211 -2.566 11.378 1.00 0.00 C ATOM 672 SD MET A 44 0.888 -0.820 11.560 1.00 0.00 S ATOM 673 CE MET A 44 1.767 -0.498 13.080 1.00 0.00 C ATOM 0 H MET A 44 1.926 -1.766 8.991 1.00 0.00 H new ATOM 0 HA MET A 44 1.918 -4.430 9.545 1.00 0.00 H new ATOM 0 HB2 MET A 44 -0.318 -2.370 9.869 1.00 0.00 H new ATOM 0 HB3 MET A 44 -0.307 -3.927 10.674 1.00 0.00 H new ATOM 0 HG2 MET A 44 1.010 -3.081 12.317 1.00 0.00 H new ATOM 0 HG3 MET A 44 2.264 -2.727 11.145 1.00 0.00 H new ATOM 0 HE1 MET A 44 1.668 0.556 13.341 1.00 0.00 H new ATOM 0 HE2 MET A 44 1.349 -1.111 13.879 1.00 0.00 H new ATOM 0 HE3 MET A 44 2.821 -0.742 12.949 1.00 0.00 H new ATOM 683 N ALA A 45 -0.463 -3.692 7.389 1.00 0.00 N ATOM 684 CA ALA A 45 -1.364 -4.261 6.401 1.00 0.00 C ATOM 685 C ALA A 45 -0.558 -5.094 5.402 1.00 0.00 C ATOM 686 O ALA A 45 -0.663 -6.319 5.382 1.00 0.00 O ATOM 687 CB ALA A 45 -2.153 -3.140 5.722 1.00 0.00 C ATOM 0 H ALA A 45 -0.475 -2.673 7.441 1.00 0.00 H new ATOM 0 HA ALA A 45 -2.086 -4.924 6.878 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -2.828 -3.568 4.981 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -2.731 -2.597 6.470 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -1.462 -2.455 5.230 1.00 0.00 H new ATOM 693 N LEU A 46 0.230 -4.395 4.598 1.00 0.00 N ATOM 694 CA LEU A 46 1.054 -5.055 3.599 1.00 0.00 C ATOM 695 C LEU A 46 1.858 -6.173 4.265 1.00 0.00 C ATOM 696 O LEU A 46 2.299 -7.108 3.598 1.00 0.00 O ATOM 697 CB LEU A 46 1.919 -4.033 2.858 1.00 0.00 C ATOM 698 CG LEU A 46 1.196 -3.166 1.825 1.00 0.00 C ATOM 699 CD1 LEU A 46 2.146 -2.136 1.213 1.00 0.00 C ATOM 700 CD2 LEU A 46 0.524 -4.032 0.757 1.00 0.00 C ATOM 0 H LEU A 46 0.315 -3.379 4.618 1.00 0.00 H new ATOM 0 HA LEU A 46 0.429 -5.521 2.837 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.382 -3.376 3.595 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.726 -4.566 2.355 1.00 0.00 H new ATOM 0 HG LEU A 46 0.407 -2.613 2.335 1.00 0.00 H new ATOM 0 HD11 LEU A 46 1.607 -1.533 0.482 1.00 0.00 H new ATOM 0 HD12 LEU A 46 2.537 -1.490 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 46 2.972 -2.650 0.721 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.017 -3.392 0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.279 -4.629 0.245 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -0.203 -4.693 1.229 1.00 0.00 H new ATOM 712 N GLU A 47 2.025 -6.040 5.573 1.00 0.00 N ATOM 713 CA GLU A 47 2.768 -7.028 6.337 1.00 0.00 C ATOM 714 C GLU A 47 1.891 -8.248 6.623 1.00 0.00 C ATOM 715 O GLU A 47 2.302 -9.383 6.383 1.00 0.00 O ATOM 716 CB GLU A 47 3.308 -6.424 7.635 1.00 0.00 C ATOM 717 CG GLU A 47 4.591 -5.630 7.379 1.00 0.00 C ATOM 718 CD GLU A 47 5.745 -6.164 8.229 1.00 0.00 C ATOM 719 OE1 GLU A 47 6.120 -5.535 9.230 1.00 0.00 O ATOM 720 OE2 GLU A 47 6.257 -7.274 7.818 1.00 0.00 O ATOM 0 H GLU A 47 1.658 -5.263 6.123 1.00 0.00 H new ATOM 0 HA GLU A 47 3.622 -7.351 5.742 1.00 0.00 H new ATOM 0 HB2 GLU A 47 2.555 -5.772 8.078 1.00 0.00 H new ATOM 0 HB3 GLU A 47 3.505 -7.218 8.355 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.855 -5.689 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 47 4.423 -4.577 7.607 1.00 0.00 H new ATOM 728 N GLU A 48 0.698 -7.974 7.131 1.00 0.00 N ATOM 729 CA GLU A 48 -0.240 -9.035 7.452 1.00 0.00 C ATOM 730 C GLU A 48 -0.563 -9.855 6.201 1.00 0.00 C ATOM 731 O GLU A 48 -0.766 -11.065 6.283 1.00 0.00 O ATOM 732 CB GLU A 48 -1.515 -8.468 8.080 1.00 0.00 C ATOM 733 CG GLU A 48 -1.670 -8.939 9.527 1.00 0.00 C ATOM 734 CD GLU A 48 -2.753 -10.014 9.642 1.00 0.00 C ATOM 735 OE1 GLU A 48 -3.080 -10.672 8.643 1.00 0.00 O ATOM 736 OE2 GLU A 48 -3.259 -10.155 10.820 1.00 0.00 O ATOM 0 H GLU A 48 0.360 -7.032 7.328 1.00 0.00 H new ATOM 0 HA GLU A 48 0.225 -9.695 8.185 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.486 -7.379 8.050 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.382 -8.780 7.497 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.721 -9.334 9.888 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.925 -8.092 10.163 1.00 0.00 H new ATOM 744 N GLU A 49 -0.601 -9.162 5.072 1.00 0.00 N ATOM 745 CA GLU A 49 -0.895 -9.811 3.806 1.00 0.00 C ATOM 746 C GLU A 49 0.167 -10.866 3.490 1.00 0.00 C ATOM 747 O GLU A 49 -0.115 -11.850 2.808 1.00 0.00 O ATOM 748 CB GLU A 49 -1.001 -8.785 2.676 1.00 0.00 C ATOM 749 CG GLU A 49 -2.257 -9.023 1.835 1.00 0.00 C ATOM 750 CD GLU A 49 -3.510 -9.041 2.713 1.00 0.00 C ATOM 751 OE1 GLU A 49 -3.499 -8.483 3.820 1.00 0.00 O ATOM 752 OE2 GLU A 49 -4.521 -9.662 2.208 1.00 0.00 O ATOM 0 H GLU A 49 -0.433 -8.158 5.008 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.860 -10.310 3.892 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -1.025 -7.779 3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.117 -8.845 2.041 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -2.348 -8.241 1.081 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -2.168 -9.970 1.302 1.00 0.00 H new ATOM 760 N PHE A 50 1.365 -10.625 4.001 1.00 0.00 N ATOM 761 CA PHE A 50 2.470 -11.542 3.782 1.00 0.00 C ATOM 762 C PHE A 50 3.481 -11.466 4.928 1.00 0.00 C ATOM 763 O PHE A 50 3.470 -12.306 5.827 1.00 0.00 O ATOM 764 CB PHE A 50 3.156 -11.114 2.483 1.00 0.00 C ATOM 765 CG PHE A 50 2.877 -12.040 1.298 1.00 0.00 C ATOM 766 CD1 PHE A 50 1.694 -11.955 0.633 1.00 0.00 C ATOM 767 CD2 PHE A 50 3.812 -12.947 0.908 1.00 0.00 C ATOM 768 CE1 PHE A 50 1.434 -12.814 -0.468 1.00 0.00 C ATOM 769 CE2 PHE A 50 3.553 -13.806 -0.192 1.00 0.00 C ATOM 770 CZ PHE A 50 2.369 -13.721 -0.857 1.00 0.00 C ATOM 0 H PHE A 50 1.595 -9.808 4.566 1.00 0.00 H new ATOM 0 HA PHE A 50 2.099 -12.565 3.728 1.00 0.00 H new ATOM 0 HB2 PHE A 50 2.831 -10.106 2.227 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.232 -11.069 2.650 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.952 -11.234 0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.752 -13.014 1.435 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.494 -12.747 -0.996 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.296 -14.527 -0.501 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.172 -14.374 -1.694 1.00 0.00 H new ATOM 780 N ASP A 51 4.331 -10.452 4.859 1.00 0.00 N ATOM 781 CA ASP A 51 5.346 -10.255 5.879 1.00 0.00 C ATOM 782 C ASP A 51 6.505 -9.448 5.290 1.00 0.00 C ATOM 783 O ASP A 51 7.416 -10.014 4.686 1.00 0.00 O ATOM 784 CB ASP A 51 5.902 -11.594 6.368 1.00 0.00 C ATOM 785 CG ASP A 51 7.312 -11.531 6.960 1.00 0.00 C ATOM 786 OD1 ASP A 51 7.497 -11.173 8.133 1.00 0.00 O ATOM 787 OD2 ASP A 51 8.258 -11.875 6.153 1.00 0.00 O ATOM 0 H ASP A 51 4.337 -9.758 4.112 1.00 0.00 H new ATOM 0 HA ASP A 51 4.886 -9.728 6.715 1.00 0.00 H new ATOM 0 HB2 ASP A 51 5.226 -11.998 7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 51 5.905 -12.295 5.534 1.00 0.00 H new ATOM 793 N THR A 52 6.434 -8.140 5.487 1.00 0.00 N ATOM 794 CA THR A 52 7.466 -7.250 4.983 1.00 0.00 C ATOM 795 C THR A 52 7.371 -5.884 5.664 1.00 0.00 C ATOM 796 O THR A 52 6.605 -5.023 5.234 1.00 0.00 O ATOM 797 CB THR A 52 7.328 -7.181 3.461 1.00 0.00 C ATOM 798 OG1 THR A 52 8.400 -6.335 3.053 1.00 0.00 O ATOM 799 CG2 THR A 52 6.071 -6.428 3.020 1.00 0.00 C ATOM 0 H THR A 52 5.678 -7.675 5.989 1.00 0.00 H new ATOM 0 HA THR A 52 8.462 -7.626 5.217 1.00 0.00 H new ATOM 0 HB THR A 52 7.308 -8.191 3.053 1.00 0.00 H new ATOM 0 HG1 THR A 52 8.039 -5.486 2.723 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.022 -6.408 1.931 1.00 0.00 H new ATOM 0 HG22 THR A 52 5.188 -6.931 3.414 1.00 0.00 H new ATOM 0 HG23 THR A 52 6.106 -5.407 3.400 1.00 0.00 H new ATOM 807 N GLU A 53 8.161 -5.727 6.717 1.00 0.00 N ATOM 808 CA GLU A 53 8.176 -4.480 7.462 1.00 0.00 C ATOM 809 C GLU A 53 8.694 -3.341 6.581 1.00 0.00 C ATOM 810 O GLU A 53 9.808 -2.857 6.777 1.00 0.00 O ATOM 811 CB GLU A 53 9.014 -4.612 8.735 1.00 0.00 C ATOM 812 CG GLU A 53 10.444 -5.049 8.408 1.00 0.00 C ATOM 813 CD GLU A 53 11.458 -4.008 8.888 1.00 0.00 C ATOM 814 OE1 GLU A 53 11.188 -3.278 9.853 1.00 0.00 O ATOM 815 OE2 GLU A 53 12.561 -3.974 8.220 1.00 0.00 O ATOM 0 H GLU A 53 8.795 -6.443 7.071 1.00 0.00 H new ATOM 0 HA GLU A 53 7.154 -4.246 7.761 1.00 0.00 H new ATOM 0 HB2 GLU A 53 9.033 -3.658 9.262 1.00 0.00 H new ATOM 0 HB3 GLU A 53 8.552 -5.338 9.405 1.00 0.00 H new ATOM 0 HG2 GLU A 53 10.652 -6.009 8.880 1.00 0.00 H new ATOM 0 HG3 GLU A 53 10.547 -5.194 7.333 1.00 0.00 H new ATOM 823 N ILE A 54 7.861 -2.947 5.629 1.00 0.00 N ATOM 824 CA ILE A 54 8.221 -1.874 4.717 1.00 0.00 C ATOM 825 C ILE A 54 8.754 -0.686 5.520 1.00 0.00 C ATOM 826 O ILE A 54 7.985 0.035 6.155 1.00 0.00 O ATOM 827 CB ILE A 54 7.039 -1.523 3.810 1.00 0.00 C ATOM 828 CG1 ILE A 54 7.310 -0.235 3.031 1.00 0.00 C ATOM 829 CG2 ILE A 54 5.738 -1.446 4.611 1.00 0.00 C ATOM 830 CD1 ILE A 54 8.770 -0.165 2.576 1.00 0.00 C ATOM 0 H ILE A 54 6.938 -3.351 5.469 1.00 0.00 H new ATOM 0 HA ILE A 54 9.022 -2.193 4.050 1.00 0.00 H new ATOM 0 HB ILE A 54 6.920 -2.322 3.079 1.00 0.00 H new ATOM 0 HG12 ILE A 54 6.652 -0.186 2.163 1.00 0.00 H new ATOM 0 HG13 ILE A 54 7.078 0.628 3.656 1.00 0.00 H new ATOM 0 HG21 ILE A 54 4.914 -1.195 3.943 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.543 -2.410 5.082 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.829 -0.678 5.379 1.00 0.00 H new ATOM 0 HD11 ILE A 54 8.935 0.761 2.025 1.00 0.00 H new ATOM 0 HD12 ILE A 54 9.424 -0.190 3.447 1.00 0.00 H new ATOM 0 HD13 ILE A 54 8.991 -1.016 1.932 1.00 0.00 H new ATOM 842 N PRO A 55 10.102 -0.513 5.463 1.00 0.00 N ATOM 843 CA PRO A 55 10.747 0.576 6.177 1.00 0.00 C ATOM 844 C PRO A 55 10.512 1.912 5.469 1.00 0.00 C ATOM 845 O PRO A 55 10.461 1.967 4.241 1.00 0.00 O ATOM 846 CB PRO A 55 12.216 0.188 6.241 1.00 0.00 C ATOM 847 CG PRO A 55 12.416 -0.866 5.165 1.00 0.00 C ATOM 848 CD PRO A 55 11.044 -1.346 4.722 1.00 0.00 C ATOM 0 HA PRO A 55 10.342 0.720 7.179 1.00 0.00 H new ATOM 0 HB2 PRO A 55 12.856 1.052 6.065 1.00 0.00 H new ATOM 0 HB3 PRO A 55 12.474 -0.204 7.225 1.00 0.00 H new ATOM 0 HG2 PRO A 55 12.966 -0.450 4.321 1.00 0.00 H new ATOM 0 HG3 PRO A 55 13.005 -1.698 5.550 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.913 -1.231 3.646 1.00 0.00 H new ATOM 0 HD3 PRO A 55 10.902 -2.403 4.949 1.00 0.00 H new ATOM 856 N ASP A 56 10.374 2.955 6.274 1.00 0.00 N ATOM 857 CA ASP A 56 10.145 4.287 5.740 1.00 0.00 C ATOM 858 C ASP A 56 11.105 4.537 4.575 1.00 0.00 C ATOM 859 O ASP A 56 10.724 5.131 3.568 1.00 0.00 O ATOM 860 CB ASP A 56 10.402 5.358 6.802 1.00 0.00 C ATOM 861 CG ASP A 56 9.754 6.715 6.521 1.00 0.00 C ATOM 862 OD1 ASP A 56 9.355 7.010 5.385 1.00 0.00 O ATOM 863 OD2 ASP A 56 9.664 7.498 7.543 1.00 0.00 O ATOM 0 H ASP A 56 10.416 2.905 7.292 1.00 0.00 H new ATOM 0 HA ASP A 56 9.107 4.345 5.413 1.00 0.00 H new ATOM 0 HB2 ASP A 56 10.039 4.991 7.762 1.00 0.00 H new ATOM 0 HB3 ASP A 56 11.478 5.500 6.901 1.00 0.00 H new ATOM 869 N GLU A 57 12.333 4.070 4.751 1.00 0.00 N ATOM 870 CA GLU A 57 13.350 4.235 3.727 1.00 0.00 C ATOM 871 C GLU A 57 12.834 3.728 2.379 1.00 0.00 C ATOM 872 O GLU A 57 13.058 4.360 1.347 1.00 0.00 O ATOM 873 CB GLU A 57 14.646 3.522 4.121 1.00 0.00 C ATOM 874 CG GLU A 57 15.831 4.050 3.310 1.00 0.00 C ATOM 875 CD GLU A 57 16.001 5.558 3.506 1.00 0.00 C ATOM 876 OE1 GLU A 57 15.410 6.351 2.757 1.00 0.00 O ATOM 877 OE2 GLU A 57 16.778 5.898 4.477 1.00 0.00 O ATOM 0 H GLU A 57 12.646 3.578 5.588 1.00 0.00 H new ATOM 0 HA GLU A 57 13.573 5.298 3.632 1.00 0.00 H new ATOM 0 HB2 GLU A 57 14.836 3.666 5.185 1.00 0.00 H new ATOM 0 HB3 GLU A 57 14.539 2.449 3.959 1.00 0.00 H new ATOM 0 HG2 GLU A 57 16.742 3.535 3.614 1.00 0.00 H new ATOM 0 HG3 GLU A 57 15.679 3.832 2.253 1.00 0.00 H new ATOM 885 N GLU A 58 12.153 2.593 2.431 1.00 0.00 N ATOM 886 CA GLU A 58 11.603 1.994 1.227 1.00 0.00 C ATOM 887 C GLU A 58 10.126 2.366 1.076 1.00 0.00 C ATOM 888 O GLU A 58 9.523 2.117 0.033 1.00 0.00 O ATOM 889 CB GLU A 58 11.788 0.476 1.236 1.00 0.00 C ATOM 890 CG GLU A 58 12.790 0.039 0.165 1.00 0.00 C ATOM 891 CD GLU A 58 13.795 -0.966 0.733 1.00 0.00 C ATOM 892 OE1 GLU A 58 13.563 -2.182 0.663 1.00 0.00 O ATOM 893 OE2 GLU A 58 14.850 -0.443 1.260 1.00 0.00 O ATOM 0 H GLU A 58 11.969 2.072 3.289 1.00 0.00 H new ATOM 0 HA GLU A 58 12.146 2.388 0.368 1.00 0.00 H new ATOM 0 HB2 GLU A 58 12.136 0.154 2.218 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.829 -0.012 1.062 1.00 0.00 H new ATOM 0 HG2 GLU A 58 12.258 -0.408 -0.675 1.00 0.00 H new ATOM 0 HG3 GLU A 58 13.320 0.910 -0.220 1.00 0.00 H new ATOM 901 N ALA A 59 9.587 2.956 2.132 1.00 0.00 N ATOM 902 CA ALA A 59 8.192 3.365 2.130 1.00 0.00 C ATOM 903 C ALA A 59 8.038 4.633 1.289 1.00 0.00 C ATOM 904 O ALA A 59 6.960 4.906 0.763 1.00 0.00 O ATOM 905 CB ALA A 59 7.715 3.559 3.571 1.00 0.00 C ATOM 0 H ALA A 59 10.090 3.161 2.995 1.00 0.00 H new ATOM 0 HA ALA A 59 7.566 2.594 1.681 1.00 0.00 H new ATOM 0 HB1 ALA A 59 6.669 3.866 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 59 7.818 2.622 4.118 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.318 4.328 4.053 1.00 0.00 H new ATOM 911 N GLU A 60 9.131 5.374 1.187 1.00 0.00 N ATOM 912 CA GLU A 60 9.131 6.607 0.418 1.00 0.00 C ATOM 913 C GLU A 60 9.188 6.299 -1.079 1.00 0.00 C ATOM 914 O GLU A 60 8.820 7.134 -1.903 1.00 0.00 O ATOM 915 CB GLU A 60 10.290 7.514 0.836 1.00 0.00 C ATOM 916 CG GLU A 60 11.633 6.802 0.664 1.00 0.00 C ATOM 917 CD GLU A 60 12.523 7.543 -0.337 1.00 0.00 C ATOM 918 OE1 GLU A 60 12.404 7.324 -1.552 1.00 0.00 O ATOM 919 OE2 GLU A 60 13.361 8.371 0.188 1.00 0.00 O ATOM 0 H GLU A 60 10.023 5.144 1.624 1.00 0.00 H new ATOM 0 HA GLU A 60 8.203 7.141 0.624 1.00 0.00 H new ATOM 0 HB2 GLU A 60 10.278 8.425 0.237 1.00 0.00 H new ATOM 0 HB3 GLU A 60 10.164 7.815 1.876 1.00 0.00 H new ATOM 0 HG2 GLU A 60 12.140 6.736 1.627 1.00 0.00 H new ATOM 0 HG3 GLU A 60 11.466 5.781 0.321 1.00 0.00 H new ATOM 927 N LYS A 61 9.653 5.097 -1.386 1.00 0.00 N ATOM 928 CA LYS A 61 9.764 4.668 -2.770 1.00 0.00 C ATOM 929 C LYS A 61 8.434 4.059 -3.218 1.00 0.00 C ATOM 930 O LYS A 61 8.317 3.571 -4.341 1.00 0.00 O ATOM 931 CB LYS A 61 10.960 3.730 -2.947 1.00 0.00 C ATOM 932 CG LYS A 61 12.211 4.510 -3.357 1.00 0.00 C ATOM 933 CD LYS A 61 13.230 3.592 -4.036 1.00 0.00 C ATOM 934 CE LYS A 61 13.541 4.075 -5.455 1.00 0.00 C ATOM 935 NZ LYS A 61 12.920 3.178 -6.455 1.00 0.00 N ATOM 0 H LYS A 61 9.957 4.406 -0.700 1.00 0.00 H new ATOM 0 HA LYS A 61 9.960 5.522 -3.419 1.00 0.00 H new ATOM 0 HB2 LYS A 61 11.149 3.196 -2.016 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.730 2.980 -3.704 1.00 0.00 H new ATOM 0 HG2 LYS A 61 11.935 5.317 -4.035 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.661 4.972 -2.478 1.00 0.00 H new ATOM 0 HD2 LYS A 61 14.148 3.563 -3.448 1.00 0.00 H new ATOM 0 HD3 LYS A 61 12.842 2.574 -4.071 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.170 5.091 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 61 14.620 4.107 -5.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 13.141 3.520 -7.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 13.294 2.215 -6.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 11.889 3.168 -6.320 1.00 0.00 H new ATOM 948 N ILE A 62 7.464 4.107 -2.317 1.00 0.00 N ATOM 949 CA ILE A 62 6.146 3.566 -2.605 1.00 0.00 C ATOM 950 C ILE A 62 5.093 4.653 -2.383 1.00 0.00 C ATOM 951 O ILE A 62 3.939 4.353 -2.082 1.00 0.00 O ATOM 952 CB ILE A 62 5.899 2.295 -1.791 1.00 0.00 C ATOM 953 CG1 ILE A 62 5.534 2.633 -0.344 1.00 0.00 C ATOM 954 CG2 ILE A 62 7.099 1.349 -1.873 1.00 0.00 C ATOM 955 CD1 ILE A 62 4.816 1.461 0.329 1.00 0.00 C ATOM 0 H ILE A 62 7.564 4.512 -1.386 1.00 0.00 H new ATOM 0 HA ILE A 62 6.078 3.265 -3.651 1.00 0.00 H new ATOM 0 HB ILE A 62 5.047 1.772 -2.225 1.00 0.00 H new ATOM 0 HG12 ILE A 62 6.437 2.880 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 62 4.895 3.516 -0.323 1.00 0.00 H new ATOM 0 HG21 ILE A 62 6.897 0.453 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 62 7.272 1.070 -2.912 1.00 0.00 H new ATOM 0 HG23 ILE A 62 7.984 1.849 -1.480 1.00 0.00 H new ATOM 0 HD11 ILE A 62 4.568 1.728 1.356 1.00 0.00 H new ATOM 0 HD12 ILE A 62 3.901 1.233 -0.218 1.00 0.00 H new ATOM 0 HD13 ILE A 62 5.467 0.587 0.328 1.00 0.00 H new ATOM 967 N THR A 63 5.529 5.895 -2.540 1.00 0.00 N ATOM 968 CA THR A 63 4.638 7.029 -2.360 1.00 0.00 C ATOM 969 C THR A 63 3.231 6.686 -2.855 1.00 0.00 C ATOM 970 O THR A 63 2.244 6.988 -2.187 1.00 0.00 O ATOM 971 CB THR A 63 5.256 8.233 -3.072 1.00 0.00 C ATOM 972 OG1 THR A 63 5.296 7.843 -4.442 1.00 0.00 O ATOM 973 CG2 THR A 63 6.725 8.443 -2.701 1.00 0.00 C ATOM 0 H THR A 63 6.487 6.141 -2.790 1.00 0.00 H new ATOM 0 HA THR A 63 4.525 7.280 -1.305 1.00 0.00 H new ATOM 0 HB THR A 63 4.688 9.130 -2.826 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.682 8.568 -4.977 1.00 0.00 H new ATOM 0 HG21 THR A 63 7.115 9.310 -3.234 1.00 0.00 H new ATOM 0 HG22 THR A 63 6.809 8.609 -1.627 1.00 0.00 H new ATOM 0 HG23 THR A 63 7.300 7.559 -2.977 1.00 0.00 H new ATOM 981 N THR A 64 3.186 6.059 -4.021 1.00 0.00 N ATOM 982 CA THR A 64 1.917 5.671 -4.613 1.00 0.00 C ATOM 983 C THR A 64 1.527 4.261 -4.164 1.00 0.00 C ATOM 984 O THR A 64 2.343 3.541 -3.592 1.00 0.00 O ATOM 985 CB THR A 64 2.041 5.813 -6.132 1.00 0.00 C ATOM 986 OG1 THR A 64 3.259 5.144 -6.445 1.00 0.00 O ATOM 987 CG2 THR A 64 2.287 7.259 -6.566 1.00 0.00 C ATOM 0 H THR A 64 4.008 5.810 -4.572 1.00 0.00 H new ATOM 0 HA THR A 64 1.109 6.320 -4.276 1.00 0.00 H new ATOM 0 HB THR A 64 1.133 5.441 -6.607 1.00 0.00 H new ATOM 0 HG1 THR A 64 3.416 5.186 -7.411 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.367 7.304 -7.652 1.00 0.00 H new ATOM 0 HG22 THR A 64 1.457 7.884 -6.237 1.00 0.00 H new ATOM 0 HG23 THR A 64 3.213 7.621 -6.118 1.00 0.00 H new ATOM 995 N VAL A 65 0.280 3.910 -4.442 1.00 0.00 N ATOM 996 CA VAL A 65 -0.228 2.600 -4.074 1.00 0.00 C ATOM 997 C VAL A 65 0.409 1.539 -4.975 1.00 0.00 C ATOM 998 O VAL A 65 0.994 0.574 -4.485 1.00 0.00 O ATOM 999 CB VAL A 65 -1.757 2.595 -4.134 1.00 0.00 C ATOM 1000 CG1 VAL A 65 -2.318 1.242 -3.693 1.00 0.00 C ATOM 1001 CG2 VAL A 65 -2.342 3.732 -3.294 1.00 0.00 C ATOM 0 H VAL A 65 -0.393 4.510 -4.918 1.00 0.00 H new ATOM 0 HA VAL A 65 0.044 2.360 -3.046 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.053 2.758 -5.170 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.407 1.265 -3.745 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.940 0.459 -4.351 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.008 1.036 -2.669 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.430 3.706 -3.354 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -2.033 3.614 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -1.981 4.688 -3.673 1.00 0.00 H new ATOM 1011 N GLN A 66 0.274 1.755 -6.275 1.00 0.00 N ATOM 1012 CA GLN A 66 0.829 0.830 -7.248 1.00 0.00 C ATOM 1013 C GLN A 66 2.172 0.286 -6.758 1.00 0.00 C ATOM 1014 O GLN A 66 2.365 -0.927 -6.683 1.00 0.00 O ATOM 1015 CB GLN A 66 0.975 1.497 -8.617 1.00 0.00 C ATOM 1016 CG GLN A 66 1.829 0.642 -9.556 1.00 0.00 C ATOM 1017 CD GLN A 66 1.181 0.530 -10.937 1.00 0.00 C ATOM 1018 OE1 GLN A 66 1.524 1.237 -11.871 1.00 0.00 O ATOM 1019 NE2 GLN A 66 0.228 -0.394 -11.015 1.00 0.00 N ATOM 0 H GLN A 66 -0.212 2.557 -6.677 1.00 0.00 H new ATOM 0 HA GLN A 66 0.139 -0.007 -7.359 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -0.010 1.653 -9.056 1.00 0.00 H new ATOM 0 HB3 GLN A 66 1.431 2.480 -8.500 1.00 0.00 H new ATOM 0 HG2 GLN A 66 2.822 1.081 -9.651 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.960 -0.353 -9.130 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.010 -0.952 -10.195 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.265 -0.545 -11.895 1.00 0.00 H new ATOM 1028 N ALA A 67 3.067 1.209 -6.436 1.00 0.00 N ATOM 1029 CA ALA A 67 4.386 0.837 -5.955 1.00 0.00 C ATOM 1030 C ALA A 67 4.245 -0.226 -4.863 1.00 0.00 C ATOM 1031 O ALA A 67 4.910 -1.260 -4.909 1.00 0.00 O ATOM 1032 CB ALA A 67 5.120 2.085 -5.461 1.00 0.00 C ATOM 0 H ALA A 67 2.904 2.214 -6.499 1.00 0.00 H new ATOM 0 HA ALA A 67 4.980 0.406 -6.761 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.110 1.806 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 67 5.220 2.797 -6.281 1.00 0.00 H new ATOM 0 HB3 ALA A 67 4.554 2.543 -4.650 1.00 0.00 H new ATOM 1038 N ALA A 68 3.375 0.064 -3.908 1.00 0.00 N ATOM 1039 CA ALA A 68 3.138 -0.854 -2.807 1.00 0.00 C ATOM 1040 C ALA A 68 2.943 -2.267 -3.360 1.00 0.00 C ATOM 1041 O ALA A 68 3.212 -3.250 -2.670 1.00 0.00 O ATOM 1042 CB ALA A 68 1.934 -0.376 -1.993 1.00 0.00 C ATOM 0 H ALA A 68 2.825 0.922 -3.873 1.00 0.00 H new ATOM 0 HA ALA A 68 3.997 -0.878 -2.136 1.00 0.00 H new ATOM 0 HB1 ALA A 68 1.756 -1.065 -1.167 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.134 0.620 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 68 1.052 -0.342 -2.633 1.00 0.00 H new ATOM 1048 N ILE A 69 2.477 -2.325 -4.599 1.00 0.00 N ATOM 1049 CA ILE A 69 2.244 -3.601 -5.252 1.00 0.00 C ATOM 1050 C ILE A 69 3.543 -4.082 -5.902 1.00 0.00 C ATOM 1051 O ILE A 69 4.059 -5.143 -5.555 1.00 0.00 O ATOM 1052 CB ILE A 69 1.070 -3.497 -6.228 1.00 0.00 C ATOM 1053 CG1 ILE A 69 -0.155 -2.880 -5.548 1.00 0.00 C ATOM 1054 CG2 ILE A 69 0.754 -4.857 -6.853 1.00 0.00 C ATOM 1055 CD1 ILE A 69 -0.959 -2.031 -6.534 1.00 0.00 C ATOM 0 H ILE A 69 2.255 -1.508 -5.168 1.00 0.00 H new ATOM 0 HA ILE A 69 1.955 -4.356 -4.520 1.00 0.00 H new ATOM 0 HB ILE A 69 1.359 -2.829 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.787 -3.670 -5.143 1.00 0.00 H new ATOM 0 HG13 ILE A 69 0.163 -2.264 -4.707 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -0.084 -4.755 -7.542 1.00 0.00 H new ATOM 0 HG22 ILE A 69 1.627 -5.220 -7.395 1.00 0.00 H new ATOM 0 HG23 ILE A 69 0.493 -5.567 -6.068 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -1.824 -1.604 -6.026 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -0.331 -1.227 -6.919 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -1.296 -2.656 -7.361 1.00 0.00 H new ATOM 1067 N ASP A 70 4.034 -3.277 -6.833 1.00 0.00 N ATOM 1068 CA ASP A 70 5.262 -3.608 -7.535 1.00 0.00 C ATOM 1069 C ASP A 70 6.364 -3.903 -6.515 1.00 0.00 C ATOM 1070 O ASP A 70 7.347 -4.570 -6.833 1.00 0.00 O ATOM 1071 CB ASP A 70 5.728 -2.441 -8.409 1.00 0.00 C ATOM 1072 CG ASP A 70 5.267 -2.501 -9.867 1.00 0.00 C ATOM 1073 OD1 ASP A 70 4.177 -2.020 -10.212 1.00 0.00 O ATOM 1074 OD2 ASP A 70 6.089 -3.079 -10.675 1.00 0.00 O ATOM 0 H ASP A 70 3.604 -2.397 -7.117 1.00 0.00 H new ATOM 0 HA ASP A 70 5.067 -4.476 -8.165 1.00 0.00 H new ATOM 0 HB2 ASP A 70 5.369 -1.511 -7.968 1.00 0.00 H new ATOM 0 HB3 ASP A 70 6.817 -2.404 -8.389 1.00 0.00 H new ATOM 1080 N TYR A 71 6.162 -3.391 -5.310 1.00 0.00 N ATOM 1081 CA TYR A 71 7.126 -3.592 -4.241 1.00 0.00 C ATOM 1082 C TYR A 71 6.942 -4.962 -3.586 1.00 0.00 C ATOM 1083 O TYR A 71 7.917 -5.657 -3.308 1.00 0.00 O ATOM 1084 CB TYR A 71 6.839 -2.503 -3.205 1.00 0.00 C ATOM 1085 CG TYR A 71 7.303 -2.853 -1.790 1.00 0.00 C ATOM 1086 CD1 TYR A 71 8.628 -3.154 -1.552 1.00 0.00 C ATOM 1087 CD2 TYR A 71 6.395 -2.867 -0.750 1.00 0.00 C ATOM 1088 CE1 TYR A 71 9.065 -3.483 -0.220 1.00 0.00 C ATOM 1089 CE2 TYR A 71 6.831 -3.197 0.582 1.00 0.00 C ATOM 1090 CZ TYR A 71 8.144 -3.489 0.781 1.00 0.00 C ATOM 1091 OH TYR A 71 8.556 -3.800 2.040 1.00 0.00 O ATOM 0 H TYR A 71 5.346 -2.838 -5.050 1.00 0.00 H new ATOM 0 HA TYR A 71 8.144 -3.544 -4.628 1.00 0.00 H new ATOM 0 HB2 TYR A 71 7.327 -1.580 -3.518 1.00 0.00 H new ATOM 0 HB3 TYR A 71 5.767 -2.307 -3.187 1.00 0.00 H new ATOM 0 HD1 TYR A 71 9.338 -3.143 -2.365 1.00 0.00 H new ATOM 0 HD2 TYR A 71 5.358 -2.630 -0.936 1.00 0.00 H new ATOM 0 HE1 TYR A 71 10.100 -3.719 -0.020 1.00 0.00 H new ATOM 0 HE2 TYR A 71 6.131 -3.212 1.404 1.00 0.00 H new ATOM 0 HH TYR A 71 9.489 -3.524 2.156 1.00 0.00 H new ATOM 1101 N ILE A 72 5.683 -5.310 -3.360 1.00 0.00 N ATOM 1102 CA ILE A 72 5.359 -6.585 -2.744 1.00 0.00 C ATOM 1103 C ILE A 72 5.653 -7.715 -3.733 1.00 0.00 C ATOM 1104 O ILE A 72 5.915 -8.846 -3.328 1.00 0.00 O ATOM 1105 CB ILE A 72 3.918 -6.580 -2.228 1.00 0.00 C ATOM 1106 CG1 ILE A 72 3.734 -5.533 -1.127 1.00 0.00 C ATOM 1107 CG2 ILE A 72 3.495 -7.976 -1.767 1.00 0.00 C ATOM 1108 CD1 ILE A 72 4.157 -6.089 0.235 1.00 0.00 C ATOM 0 H ILE A 72 4.876 -4.731 -3.593 1.00 0.00 H new ATOM 0 HA ILE A 72 5.987 -6.755 -1.869 1.00 0.00 H new ATOM 0 HB ILE A 72 3.261 -6.301 -3.052 1.00 0.00 H new ATOM 0 HG12 ILE A 72 4.324 -4.647 -1.361 1.00 0.00 H new ATOM 0 HG13 ILE A 72 2.690 -5.221 -1.088 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.467 -7.944 -1.405 1.00 0.00 H new ATOM 0 HG22 ILE A 72 3.564 -8.672 -2.603 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.152 -8.308 -0.963 1.00 0.00 H new ATOM 0 HD11 ILE A 72 4.016 -5.325 1.000 1.00 0.00 H new ATOM 0 HD12 ILE A 72 3.549 -6.961 0.477 1.00 0.00 H new ATOM 0 HD13 ILE A 72 5.207 -6.378 0.200 1.00 0.00 H new ATOM 1120 N ASN A 73 5.600 -7.368 -5.010 1.00 0.00 N ATOM 1121 CA ASN A 73 5.858 -8.339 -6.060 1.00 0.00 C ATOM 1122 C ASN A 73 7.360 -8.385 -6.348 1.00 0.00 C ATOM 1123 O ASN A 73 7.892 -9.429 -6.722 1.00 0.00 O ATOM 1124 CB ASN A 73 5.140 -7.953 -7.355 1.00 0.00 C ATOM 1125 CG ASN A 73 3.819 -8.713 -7.497 1.00 0.00 C ATOM 1126 OD1 ASN A 73 3.784 -9.905 -7.753 1.00 0.00 O ATOM 1127 ND2 ASN A 73 2.739 -7.958 -7.317 1.00 0.00 N ATOM 0 H ASN A 73 5.382 -6.428 -5.342 1.00 0.00 H new ATOM 0 HA ASN A 73 5.493 -9.308 -5.720 1.00 0.00 H new ATOM 0 HB2 ASN A 73 4.949 -6.880 -7.363 1.00 0.00 H new ATOM 0 HB3 ASN A 73 5.782 -8.169 -8.209 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.810 -8.372 -7.391 1.00 0.00 H new ATOM 0 HD22 ASN A 73 2.840 -6.965 -7.105 1.00 0.00 H new ATOM 1134 N GLY A 74 8.001 -7.240 -6.164 1.00 0.00 N ATOM 1135 CA GLY A 74 9.431 -7.137 -6.400 1.00 0.00 C ATOM 1136 C GLY A 74 10.223 -7.563 -5.162 1.00 0.00 C ATOM 1137 O GLY A 74 11.425 -7.316 -5.073 1.00 0.00 O ATOM 0 H GLY A 74 7.556 -6.376 -5.854 1.00 0.00 H new ATOM 0 HA2 GLY A 74 9.709 -7.763 -7.248 1.00 0.00 H new ATOM 0 HA3 GLY A 74 9.687 -6.111 -6.664 1.00 0.00 H new ATOM 1141 N HIS A 75 9.517 -8.196 -4.236 1.00 0.00 N ATOM 1142 CA HIS A 75 10.139 -8.659 -3.007 1.00 0.00 C ATOM 1143 C HIS A 75 10.310 -10.179 -3.060 1.00 0.00 C ATOM 1144 O HIS A 75 11.433 -10.681 -3.044 1.00 0.00 O ATOM 1145 CB HIS A 75 9.341 -8.195 -1.787 1.00 0.00 C ATOM 1146 CG HIS A 75 10.152 -8.123 -0.515 1.00 0.00 C ATOM 1147 ND1 HIS A 75 11.049 -7.101 -0.254 1.00 0.00 N ATOM 1148 CD2 HIS A 75 10.191 -8.954 0.566 1.00 0.00 C ATOM 1149 CE1 HIS A 75 11.598 -7.319 0.932 1.00 0.00 C ATOM 1150 NE2 HIS A 75 11.066 -8.468 1.438 1.00 0.00 N ATOM 0 H HIS A 75 8.520 -8.399 -4.312 1.00 0.00 H new ATOM 0 HA HIS A 75 11.132 -8.219 -2.909 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.920 -7.211 -1.994 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.503 -8.875 -1.634 1.00 0.00 H new ATOM 0 HD2 HIS A 75 9.609 -9.855 0.691 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.337 -6.696 1.413 1.00 0.00 H new ATOM 0 HE2 HIS A 75 11.302 -8.885 2.338 1.00 0.00 H new ATOM 1158 N GLN A 76 9.181 -10.868 -3.121 1.00 0.00 N ATOM 1159 CA GLN A 76 9.192 -12.320 -3.176 1.00 0.00 C ATOM 1160 C GLN A 76 10.265 -12.806 -4.153 1.00 0.00 C ATOM 1161 O GLN A 76 10.293 -12.385 -5.309 1.00 0.00 O ATOM 1162 CB GLN A 76 7.815 -12.865 -3.559 1.00 0.00 C ATOM 1163 CG GLN A 76 6.799 -12.623 -2.440 1.00 0.00 C ATOM 1164 CD GLN A 76 7.296 -13.204 -1.114 1.00 0.00 C ATOM 1165 OE1 GLN A 76 7.490 -14.399 -0.964 1.00 0.00 O ATOM 1166 NE2 GLN A 76 7.489 -12.294 -0.164 1.00 0.00 N ATOM 0 H GLN A 76 8.252 -10.448 -3.134 1.00 0.00 H new ATOM 0 HA GLN A 76 9.433 -12.700 -2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 76 7.472 -12.386 -4.476 1.00 0.00 H new ATOM 0 HB3 GLN A 76 7.887 -13.933 -3.765 1.00 0.00 H new ATOM 0 HG2 GLN A 76 6.622 -11.553 -2.329 1.00 0.00 H new ATOM 0 HG3 GLN A 76 5.845 -13.078 -2.706 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.307 -11.309 -0.357 1.00 0.00 H new ATOM 0 HE22 GLN A 76 7.819 -12.581 0.757 1.00 0.00 H new ATOM 1175 N ALA A 77 11.121 -13.684 -3.653 1.00 0.00 N ATOM 1176 CA ALA A 77 12.193 -14.232 -4.468 1.00 0.00 C ATOM 1177 C ALA A 77 12.406 -15.702 -4.101 1.00 0.00 C ATOM 1178 O ALA A 77 12.418 -16.568 -4.974 1.00 0.00 O ATOM 1179 CB ALA A 77 13.459 -13.393 -4.277 1.00 0.00 C ATOM 0 H ALA A 77 11.095 -14.030 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 77 11.931 -14.191 -5.525 1.00 0.00 H new ATOM 0 HB1 ALA A 77 14.263 -13.803 -4.888 1.00 0.00 H new ATOM 0 HB2 ALA A 77 13.263 -12.364 -4.579 1.00 0.00 H new ATOM 0 HB3 ALA A 77 13.754 -13.413 -3.228 1.00 0.00 H new TER 1185 ALA A 77