USER MOD reduce.3.24.130724 H: found=0, std=0, add=795, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 796 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 55 SER OG : rot 180:sc= 0.00151 USER MOD Set 1.2: A 68 GLN : amide:sc= -0.0204 K(o=-0.019,f=-3.1!) USER MOD Single : A 2 SER OG : rot -21:sc= 0.384 USER MOD Single : A 4 THR OG1 : rot 170:sc= 0.0052 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.00987 USER MOD Single : A 9 CYS SG : rot 37:sc= 0.57 USER MOD Single : A 10 GLN : amide:sc= -0.237 K(o=-0.24,f=-0.86) USER MOD Single : A 16 LYS NZ :NH3+ 138:sc=-0.00794 (180deg=-0.266) USER MOD Single : A 22 ASN : amide:sc= 0.432 K(o=0.43,f=-8.6!) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 28 TYR OH : rot 148:sc= 0.665 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -40:sc= 0.103 USER MOD Single : A 39 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot -5:sc= 1.29 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot -112:sc= 1.18 USER MOD Single : A 56 SER OG : rot -97:sc= 1.14 USER MOD Single : A 62 MET CE :methyl -138:sc= -0.245 (180deg=-1.08) USER MOD Single : A 70 GLN : amide:sc= -1.18 K(o=-1.2,f=-0.0016) USER MOD Single : A 75 GLN : amide:sc= 0.683 K(o=0.68,f=-6.1!) USER MOD Single : A 76 ASN : amide:sc= -1.05 K(o=-1.1,f=-0.013) USER MOD Single : A 78 ASN : amide:sc= -0.622 K(o=-0.62,f=-0.1) USER MOD Single : A 82 ASN : amide:sc= 0.222 X(o=0.22,f=-0.014) USER MOD Single : A 90 TYR OH : rot -38:sc= 0.962 USER MOD Single : A 94 GLN : amide:sc= -2.66! C(o=-2.7!,f=-2.9!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 18 N SER A 2 -1.356 4.350 -3.139 1.00 0.00 N ATOM 19 CA SER A 2 -1.546 5.577 -3.892 1.00 0.00 C ATOM 20 C SER A 2 -0.223 6.303 -4.104 1.00 0.00 C ATOM 21 O SER A 2 0.749 6.067 -3.383 1.00 0.00 O ATOM 22 CB SER A 2 -2.541 6.478 -3.159 1.00 0.00 C ATOM 23 OG SER A 2 -2.278 6.495 -1.764 1.00 0.00 O ATOM 0 HA SER A 2 -1.945 5.325 -4.875 1.00 0.00 H new ATOM 0 HB2 SER A 2 -2.481 7.491 -3.557 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.557 6.125 -3.337 1.00 0.00 H new ATOM 0 HG SER A 2 -1.755 5.703 -1.520 1.00 0.00 H new ATOM 29 N ILE A 3 -0.192 7.177 -5.099 1.00 0.00 N ATOM 30 CA ILE A 3 0.997 7.959 -5.402 1.00 0.00 C ATOM 31 C ILE A 3 1.265 8.981 -4.303 1.00 0.00 C ATOM 32 O ILE A 3 0.338 9.591 -3.764 1.00 0.00 O ATOM 33 CB ILE A 3 0.860 8.662 -6.774 1.00 0.00 C ATOM 34 CG1 ILE A 3 0.819 7.614 -7.889 1.00 0.00 C ATOM 35 CG2 ILE A 3 1.993 9.654 -7.013 1.00 0.00 C ATOM 36 CD1 ILE A 3 2.036 6.714 -7.919 1.00 0.00 C ATOM 0 H ILE A 3 -0.984 7.363 -5.715 1.00 0.00 H new ATOM 0 HA ILE A 3 1.845 7.276 -5.452 1.00 0.00 H new ATOM 0 HB ILE A 3 -0.072 9.227 -6.776 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.074 7.000 -7.767 1.00 0.00 H new ATOM 0 HG13 ILE A 3 0.728 8.121 -8.850 1.00 0.00 H new ATOM 0 HG21 ILE A 3 1.863 10.128 -7.986 1.00 0.00 H new ATOM 0 HG22 ILE A 3 1.980 10.416 -6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 3 2.948 9.128 -6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 3 1.938 5.997 -8.734 1.00 0.00 H new ATOM 0 HD12 ILE A 3 2.931 7.317 -8.072 1.00 0.00 H new ATOM 0 HD13 ILE A 3 2.116 6.179 -6.973 1.00 0.00 H new ATOM 48 N THR A 4 2.534 9.166 -3.983 1.00 0.00 N ATOM 49 CA THR A 4 2.931 9.999 -2.868 1.00 0.00 C ATOM 50 C THR A 4 3.182 11.446 -3.294 1.00 0.00 C ATOM 51 O THR A 4 2.904 11.835 -4.434 1.00 0.00 O ATOM 52 CB THR A 4 4.184 9.424 -2.183 1.00 0.00 C ATOM 53 OG1 THR A 4 5.211 9.164 -3.152 1.00 0.00 O ATOM 54 CG2 THR A 4 3.849 8.138 -1.444 1.00 0.00 C ATOM 0 H THR A 4 3.313 8.744 -4.488 1.00 0.00 H new ATOM 0 HA THR A 4 2.104 10.002 -2.158 1.00 0.00 H new ATOM 0 HB THR A 4 4.544 10.162 -1.467 1.00 0.00 H new ATOM 0 HG1 THR A 4 6.050 8.954 -2.691 1.00 0.00 H new ATOM 0 HG21 THR A 4 4.748 7.748 -0.967 1.00 0.00 H new ATOM 0 HG22 THR A 4 3.094 8.341 -0.684 1.00 0.00 H new ATOM 0 HG23 THR A 4 3.465 7.402 -2.150 1.00 0.00 H new ATOM 62 N SER A 5 3.673 12.239 -2.350 1.00 0.00 N ATOM 63 CA SER A 5 3.903 13.664 -2.545 1.00 0.00 C ATOM 64 C SER A 5 4.992 13.944 -3.590 1.00 0.00 C ATOM 65 O SER A 5 5.481 13.034 -4.259 1.00 0.00 O ATOM 66 CB SER A 5 4.284 14.278 -1.201 1.00 0.00 C ATOM 67 OG SER A 5 3.372 13.875 -0.191 1.00 0.00 O ATOM 0 H SER A 5 3.925 11.907 -1.419 1.00 0.00 H new ATOM 0 HA SER A 5 2.987 14.114 -2.927 1.00 0.00 H new ATOM 0 HB2 SER A 5 5.294 13.973 -0.929 1.00 0.00 H new ATOM 0 HB3 SER A 5 4.290 15.365 -1.280 1.00 0.00 H new ATOM 0 HG SER A 5 3.633 14.277 0.664 1.00 0.00 H new ATOM 73 N THR A 6 5.372 15.219 -3.703 1.00 0.00 N ATOM 74 CA THR A 6 6.339 15.688 -4.700 1.00 0.00 C ATOM 75 C THR A 6 7.645 14.887 -4.665 1.00 0.00 C ATOM 76 O THR A 6 8.382 14.841 -5.653 1.00 0.00 O ATOM 77 CB THR A 6 6.642 17.183 -4.483 1.00 0.00 C ATOM 78 OG1 THR A 6 5.409 17.892 -4.300 1.00 0.00 O ATOM 79 CG2 THR A 6 7.394 17.777 -5.666 1.00 0.00 C ATOM 0 H THR A 6 5.015 15.961 -3.101 1.00 0.00 H new ATOM 0 HA THR A 6 5.887 15.540 -5.681 1.00 0.00 H new ATOM 0 HB THR A 6 7.272 17.279 -3.598 1.00 0.00 H new ATOM 0 HG1 THR A 6 5.597 18.844 -4.160 1.00 0.00 H new ATOM 0 HG21 THR A 6 7.591 18.833 -5.479 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.339 17.249 -5.799 1.00 0.00 H new ATOM 0 HG23 THR A 6 6.791 17.675 -6.569 1.00 0.00 H new ATOM 87 N ASP A 7 7.917 14.259 -3.526 1.00 0.00 N ATOM 88 CA ASP A 7 9.107 13.431 -3.343 1.00 0.00 C ATOM 89 C ASP A 7 9.255 12.391 -4.453 1.00 0.00 C ATOM 90 O ASP A 7 10.371 11.995 -4.786 1.00 0.00 O ATOM 91 CB ASP A 7 9.046 12.728 -1.986 1.00 0.00 C ATOM 92 CG ASP A 7 9.261 13.677 -0.824 1.00 0.00 C ATOM 93 OD1 ASP A 7 8.352 14.488 -0.530 1.00 0.00 O ATOM 94 OD2 ASP A 7 10.339 13.616 -0.198 1.00 0.00 O ATOM 0 H ASP A 7 7.319 14.309 -2.702 1.00 0.00 H new ATOM 0 HA ASP A 7 9.975 14.089 -3.384 1.00 0.00 H new ATOM 0 HB2 ASP A 7 8.077 12.241 -1.877 1.00 0.00 H new ATOM 0 HB3 ASP A 7 9.802 11.944 -1.954 1.00 0.00 H new ATOM 99 N ILE A 8 8.137 11.963 -5.038 1.00 0.00 N ATOM 100 CA ILE A 8 8.176 11.006 -6.141 1.00 0.00 C ATOM 101 C ILE A 8 8.951 11.581 -7.334 1.00 0.00 C ATOM 102 O ILE A 8 9.728 10.879 -7.982 1.00 0.00 O ATOM 103 CB ILE A 8 6.752 10.570 -6.583 1.00 0.00 C ATOM 104 CG1 ILE A 8 6.827 9.488 -7.664 1.00 0.00 C ATOM 105 CG2 ILE A 8 5.936 11.756 -7.085 1.00 0.00 C ATOM 106 CD1 ILE A 8 5.475 8.945 -8.070 1.00 0.00 C ATOM 0 H ILE A 8 7.200 12.262 -4.768 1.00 0.00 H new ATOM 0 HA ILE A 8 8.695 10.119 -5.778 1.00 0.00 H new ATOM 0 HB ILE A 8 6.250 10.159 -5.707 1.00 0.00 H new ATOM 0 HG12 ILE A 8 7.324 9.898 -8.543 1.00 0.00 H new ATOM 0 HG13 ILE A 8 7.446 8.667 -7.302 1.00 0.00 H new ATOM 0 HG21 ILE A 8 4.945 11.415 -7.386 1.00 0.00 H new ATOM 0 HG22 ILE A 8 5.839 12.494 -6.289 1.00 0.00 H new ATOM 0 HG23 ILE A 8 6.439 12.208 -7.940 1.00 0.00 H new ATOM 0 HD11 ILE A 8 5.605 8.183 -8.839 1.00 0.00 H new ATOM 0 HD12 ILE A 8 4.984 8.505 -7.202 1.00 0.00 H new ATOM 0 HD13 ILE A 8 4.860 9.755 -8.462 1.00 0.00 H new ATOM 118 N CYS A 9 8.759 12.871 -7.591 1.00 0.00 N ATOM 119 CA CYS A 9 9.449 13.555 -8.675 1.00 0.00 C ATOM 120 C CYS A 9 10.904 13.820 -8.300 1.00 0.00 C ATOM 121 O CYS A 9 11.793 13.793 -9.151 1.00 0.00 O ATOM 122 CB CYS A 9 8.738 14.873 -9.001 1.00 0.00 C ATOM 123 SG CYS A 9 9.539 15.856 -10.291 1.00 0.00 S ATOM 0 H CYS A 9 8.126 13.466 -7.057 1.00 0.00 H new ATOM 0 HA CYS A 9 9.431 12.915 -9.557 1.00 0.00 H new ATOM 0 HB2 CYS A 9 7.716 14.653 -9.311 1.00 0.00 H new ATOM 0 HB3 CYS A 9 8.674 15.472 -8.092 1.00 0.00 H new ATOM 0 HG CYS A 9 10.021 15.065 -11.203 1.00 0.00 H new ATOM 129 N GLN A 10 11.139 14.059 -7.016 1.00 0.00 N ATOM 130 CA GLN A 10 12.473 14.384 -6.528 1.00 0.00 C ATOM 131 C GLN A 10 13.375 13.157 -6.530 1.00 0.00 C ATOM 132 O GLN A 10 14.558 13.248 -6.866 1.00 0.00 O ATOM 133 CB GLN A 10 12.393 14.990 -5.127 1.00 0.00 C ATOM 134 CG GLN A 10 11.731 16.359 -5.107 1.00 0.00 C ATOM 135 CD GLN A 10 12.468 17.367 -5.968 1.00 0.00 C ATOM 136 OE1 GLN A 10 13.688 17.296 -6.122 1.00 0.00 O ATOM 137 NE2 GLN A 10 11.737 18.309 -6.544 1.00 0.00 N ATOM 0 H GLN A 10 10.421 14.034 -6.292 1.00 0.00 H new ATOM 0 HA GLN A 10 12.910 15.120 -7.203 1.00 0.00 H new ATOM 0 HB2 GLN A 10 11.837 14.315 -4.477 1.00 0.00 H new ATOM 0 HB3 GLN A 10 13.399 15.073 -4.715 1.00 0.00 H new ATOM 0 HG2 GLN A 10 10.703 16.268 -5.457 1.00 0.00 H new ATOM 0 HG3 GLN A 10 11.687 16.724 -4.081 1.00 0.00 H new ATOM 0 HE21 GLN A 10 10.729 18.336 -6.393 1.00 0.00 H new ATOM 0 HE22 GLN A 10 12.182 19.008 -7.139 1.00 0.00 H new ATOM 146 N ALA A 11 12.815 12.009 -6.169 1.00 0.00 N ATOM 147 CA ALA A 11 13.572 10.764 -6.164 1.00 0.00 C ATOM 148 C ALA A 11 13.943 10.344 -7.583 1.00 0.00 C ATOM 149 O ALA A 11 14.960 9.689 -7.799 1.00 0.00 O ATOM 150 CB ALA A 11 12.785 9.665 -5.471 1.00 0.00 C ATOM 0 H ALA A 11 11.842 11.914 -5.877 1.00 0.00 H new ATOM 0 HA ALA A 11 14.495 10.932 -5.609 1.00 0.00 H new ATOM 0 HB1 ALA A 11 13.366 8.743 -5.477 1.00 0.00 H new ATOM 0 HB2 ALA A 11 12.580 9.958 -4.441 1.00 0.00 H new ATOM 0 HB3 ALA A 11 11.844 9.504 -5.997 1.00 0.00 H new ATOM 156 N ALA A 12 13.121 10.747 -8.548 1.00 0.00 N ATOM 157 CA ALA A 12 13.379 10.452 -9.955 1.00 0.00 C ATOM 158 C ALA A 12 14.596 11.226 -10.458 1.00 0.00 C ATOM 159 O ALA A 12 15.177 10.896 -11.491 1.00 0.00 O ATOM 160 CB ALA A 12 12.155 10.779 -10.797 1.00 0.00 C ATOM 0 H ALA A 12 12.268 11.280 -8.381 1.00 0.00 H new ATOM 0 HA ALA A 12 13.592 9.387 -10.048 1.00 0.00 H new ATOM 0 HB1 ALA A 12 12.362 10.554 -11.843 1.00 0.00 H new ATOM 0 HB2 ALA A 12 11.310 10.180 -10.458 1.00 0.00 H new ATOM 0 HB3 ALA A 12 11.915 11.837 -10.694 1.00 0.00 H new ATOM 166 N ASP A 13 14.969 12.260 -9.720 1.00 0.00 N ATOM 167 CA ASP A 13 16.148 13.053 -10.043 1.00 0.00 C ATOM 168 C ASP A 13 17.377 12.472 -9.351 1.00 0.00 C ATOM 169 O ASP A 13 18.507 12.646 -9.807 1.00 0.00 O ATOM 170 CB ASP A 13 15.932 14.507 -9.611 1.00 0.00 C ATOM 171 CG ASP A 13 17.149 15.380 -9.846 1.00 0.00 C ATOM 172 OD1 ASP A 13 17.273 15.948 -10.948 1.00 0.00 O ATOM 173 OD2 ASP A 13 17.980 15.515 -8.919 1.00 0.00 O ATOM 0 H ASP A 13 14.469 12.572 -8.887 1.00 0.00 H new ATOM 0 HA ASP A 13 16.311 13.026 -11.120 1.00 0.00 H new ATOM 0 HB2 ASP A 13 15.084 14.921 -10.157 1.00 0.00 H new ATOM 0 HB3 ASP A 13 15.673 14.531 -8.553 1.00 0.00 H new ATOM 178 N ALA A 14 17.135 11.751 -8.263 1.00 0.00 N ATOM 179 CA ALA A 14 18.206 11.198 -7.444 1.00 0.00 C ATOM 180 C ALA A 14 18.674 9.846 -7.973 1.00 0.00 C ATOM 181 O ALA A 14 19.560 9.210 -7.391 1.00 0.00 O ATOM 182 CB ALA A 14 17.737 11.066 -6.004 1.00 0.00 C ATOM 0 H ALA A 14 16.197 11.534 -7.925 1.00 0.00 H new ATOM 0 HA ALA A 14 19.054 11.881 -7.488 1.00 0.00 H new ATOM 0 HB1 ALA A 14 18.541 10.652 -5.396 1.00 0.00 H new ATOM 0 HB2 ALA A 14 17.460 12.048 -5.620 1.00 0.00 H new ATOM 0 HB3 ALA A 14 16.873 10.403 -5.962 1.00 0.00 H new ATOM 188 N LEU A 15 18.070 9.405 -9.070 1.00 0.00 N ATOM 189 CA LEU A 15 18.453 8.149 -9.697 1.00 0.00 C ATOM 190 C LEU A 15 19.878 8.252 -10.227 1.00 0.00 C ATOM 191 O LEU A 15 20.201 9.160 -10.995 1.00 0.00 O ATOM 192 CB LEU A 15 17.503 7.796 -10.847 1.00 0.00 C ATOM 193 CG LEU A 15 16.011 7.809 -10.513 1.00 0.00 C ATOM 194 CD1 LEU A 15 15.200 7.412 -11.734 1.00 0.00 C ATOM 195 CD2 LEU A 15 15.705 6.879 -9.353 1.00 0.00 C ATOM 0 H LEU A 15 17.313 9.899 -9.543 1.00 0.00 H new ATOM 0 HA LEU A 15 18.394 7.361 -8.946 1.00 0.00 H new ATOM 0 HB2 LEU A 15 17.678 8.496 -11.664 1.00 0.00 H new ATOM 0 HB3 LEU A 15 17.764 6.804 -11.216 1.00 0.00 H new ATOM 0 HG LEU A 15 15.736 8.821 -10.217 1.00 0.00 H new ATOM 0 HD11 LEU A 15 14.139 7.424 -11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 15 15.392 8.117 -12.543 1.00 0.00 H new ATOM 0 HD13 LEU A 15 15.487 6.409 -12.051 1.00 0.00 H new ATOM 0 HD21 LEU A 15 14.637 6.907 -9.136 1.00 0.00 H new ATOM 0 HD22 LEU A 15 15.995 5.862 -9.616 1.00 0.00 H new ATOM 0 HD23 LEU A 15 16.263 7.199 -8.473 1.00 0.00 H new ATOM 207 N LYS A 16 20.729 7.329 -9.821 1.00 0.00 N ATOM 208 CA LYS A 16 22.125 7.367 -10.225 1.00 0.00 C ATOM 209 C LYS A 16 22.503 6.081 -10.947 1.00 0.00 C ATOM 210 O LYS A 16 21.987 5.009 -10.639 1.00 0.00 O ATOM 211 CB LYS A 16 23.037 7.609 -9.014 1.00 0.00 C ATOM 212 CG LYS A 16 22.940 6.539 -7.938 1.00 0.00 C ATOM 213 CD LYS A 16 23.783 6.888 -6.721 1.00 0.00 C ATOM 214 CE LYS A 16 23.230 8.095 -5.977 1.00 0.00 C ATOM 215 NZ LYS A 16 21.879 7.831 -5.411 1.00 0.00 N ATOM 0 H LYS A 16 20.482 6.547 -9.215 1.00 0.00 H new ATOM 0 HA LYS A 16 22.263 8.199 -10.916 1.00 0.00 H new ATOM 0 HB2 LYS A 16 24.070 7.671 -9.357 1.00 0.00 H new ATOM 0 HB3 LYS A 16 22.789 8.575 -8.574 1.00 0.00 H new ATOM 0 HG2 LYS A 16 21.899 6.418 -7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 16 23.267 5.582 -8.345 1.00 0.00 H new ATOM 0 HD2 LYS A 16 23.821 6.032 -6.047 1.00 0.00 H new ATOM 0 HD3 LYS A 16 24.807 7.092 -7.035 1.00 0.00 H new ATOM 0 HE2 LYS A 16 23.913 8.369 -5.173 1.00 0.00 H new ATOM 0 HE3 LYS A 16 23.179 8.947 -6.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 21.821 8.229 -4.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 21.157 8.274 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 21.714 6.805 -5.371 1.00 0.00 H new ATOM 229 N GLY A 17 23.395 6.203 -11.915 1.00 0.00 N ATOM 230 CA GLY A 17 23.761 5.072 -12.739 1.00 0.00 C ATOM 231 C GLY A 17 23.492 5.355 -14.199 1.00 0.00 C ATOM 232 O GLY A 17 22.572 6.106 -14.526 1.00 0.00 O ATOM 0 H GLY A 17 23.876 7.072 -12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 17 24.817 4.842 -12.598 1.00 0.00 H new ATOM 0 HA3 GLY A 17 23.199 4.192 -12.426 1.00 0.00 H new ATOM 236 N PHE A 18 24.291 4.775 -15.075 1.00 0.00 N ATOM 237 CA PHE A 18 24.160 5.014 -16.503 1.00 0.00 C ATOM 238 C PHE A 18 23.684 3.753 -17.208 1.00 0.00 C ATOM 239 O PHE A 18 24.244 2.678 -17.011 1.00 0.00 O ATOM 240 CB PHE A 18 25.504 5.457 -17.093 1.00 0.00 C ATOM 241 CG PHE A 18 26.108 6.648 -16.402 1.00 0.00 C ATOM 242 CD1 PHE A 18 25.800 7.934 -16.810 1.00 0.00 C ATOM 243 CD2 PHE A 18 26.986 6.478 -15.341 1.00 0.00 C ATOM 244 CE1 PHE A 18 26.354 9.029 -16.175 1.00 0.00 C ATOM 245 CE2 PHE A 18 27.542 7.568 -14.702 1.00 0.00 C ATOM 246 CZ PHE A 18 27.225 8.846 -15.119 1.00 0.00 C ATOM 0 H PHE A 18 25.041 4.132 -14.823 1.00 0.00 H new ATOM 0 HA PHE A 18 23.426 5.805 -16.653 1.00 0.00 H new ATOM 0 HB2 PHE A 18 26.205 4.624 -17.040 1.00 0.00 H new ATOM 0 HB3 PHE A 18 25.367 5.692 -18.148 1.00 0.00 H new ATOM 0 HD1 PHE A 18 25.119 8.083 -17.634 1.00 0.00 H new ATOM 0 HD2 PHE A 18 27.237 5.481 -15.011 1.00 0.00 H new ATOM 0 HE1 PHE A 18 26.106 10.027 -16.504 1.00 0.00 H new ATOM 0 HE2 PHE A 18 28.224 7.422 -13.877 1.00 0.00 H new ATOM 0 HZ PHE A 18 27.657 9.701 -14.620 1.00 0.00 H new ATOM 256 N VAL A 19 22.645 3.881 -18.013 1.00 0.00 N ATOM 257 CA VAL A 19 22.154 2.762 -18.799 1.00 0.00 C ATOM 258 C VAL A 19 22.566 2.915 -20.254 1.00 0.00 C ATOM 259 O VAL A 19 22.521 4.012 -20.816 1.00 0.00 O ATOM 260 CB VAL A 19 20.618 2.591 -18.716 1.00 0.00 C ATOM 261 CG1 VAL A 19 20.239 1.635 -17.598 1.00 0.00 C ATOM 262 CG2 VAL A 19 19.923 3.930 -18.524 1.00 0.00 C ATOM 0 H VAL A 19 22.124 4.749 -18.140 1.00 0.00 H new ATOM 0 HA VAL A 19 22.606 1.867 -18.372 1.00 0.00 H new ATOM 0 HB VAL A 19 20.283 2.168 -19.663 1.00 0.00 H new ATOM 0 HG11 VAL A 19 19.155 1.531 -17.560 1.00 0.00 H new ATOM 0 HG12 VAL A 19 20.690 0.660 -17.784 1.00 0.00 H new ATOM 0 HG13 VAL A 19 20.600 2.026 -16.647 1.00 0.00 H new ATOM 0 HG21 VAL A 19 18.845 3.776 -18.469 1.00 0.00 H new ATOM 0 HG22 VAL A 19 20.271 4.391 -17.600 1.00 0.00 H new ATOM 0 HG23 VAL A 19 20.154 4.584 -19.365 1.00 0.00 H new ATOM 272 N GLY A 20 22.992 1.812 -20.845 1.00 0.00 N ATOM 273 CA GLY A 20 23.384 1.813 -22.234 1.00 0.00 C ATOM 274 C GLY A 20 23.076 0.489 -22.894 1.00 0.00 C ATOM 275 O GLY A 20 23.145 -0.561 -22.250 1.00 0.00 O ATOM 0 H GLY A 20 23.073 0.907 -20.381 1.00 0.00 H new ATOM 0 HA2 GLY A 20 22.864 2.613 -22.760 1.00 0.00 H new ATOM 0 HA3 GLY A 20 24.451 2.021 -22.312 1.00 0.00 H new ATOM 279 N PHE A 21 22.708 0.531 -24.164 1.00 0.00 N ATOM 280 CA PHE A 21 22.408 -0.684 -24.899 1.00 0.00 C ATOM 281 C PHE A 21 23.703 -1.367 -25.314 1.00 0.00 C ATOM 282 O PHE A 21 24.475 -0.829 -26.110 1.00 0.00 O ATOM 283 CB PHE A 21 21.552 -0.371 -26.130 1.00 0.00 C ATOM 284 CG PHE A 21 21.009 -1.589 -26.822 1.00 0.00 C ATOM 285 CD1 PHE A 21 19.805 -2.146 -26.420 1.00 0.00 C ATOM 286 CD2 PHE A 21 21.695 -2.174 -27.875 1.00 0.00 C ATOM 287 CE1 PHE A 21 19.297 -3.263 -27.054 1.00 0.00 C ATOM 288 CE2 PHE A 21 21.192 -3.292 -28.512 1.00 0.00 C ATOM 289 CZ PHE A 21 19.992 -3.837 -28.101 1.00 0.00 C ATOM 0 H PHE A 21 22.610 1.390 -24.705 1.00 0.00 H new ATOM 0 HA PHE A 21 21.843 -1.356 -24.253 1.00 0.00 H new ATOM 0 HB2 PHE A 21 20.719 0.265 -25.829 1.00 0.00 H new ATOM 0 HB3 PHE A 21 22.150 0.201 -26.839 1.00 0.00 H new ATOM 0 HD1 PHE A 21 19.258 -1.702 -25.602 1.00 0.00 H new ATOM 0 HD2 PHE A 21 22.634 -1.751 -28.201 1.00 0.00 H new ATOM 0 HE1 PHE A 21 18.358 -3.687 -26.732 1.00 0.00 H new ATOM 0 HE2 PHE A 21 21.737 -3.739 -29.330 1.00 0.00 H new ATOM 0 HZ PHE A 21 19.597 -4.711 -28.597 1.00 0.00 H new ATOM 299 N ASN A 22 23.945 -2.540 -24.761 1.00 0.00 N ATOM 300 CA ASN A 22 25.149 -3.287 -25.074 1.00 0.00 C ATOM 301 C ASN A 22 24.896 -4.174 -26.284 1.00 0.00 C ATOM 302 O ASN A 22 24.039 -5.054 -26.248 1.00 0.00 O ATOM 303 CB ASN A 22 25.585 -4.132 -23.872 1.00 0.00 C ATOM 304 CG ASN A 22 26.987 -4.700 -24.021 1.00 0.00 C ATOM 305 OD1 ASN A 22 27.463 -4.948 -25.130 1.00 0.00 O ATOM 306 ND2 ASN A 22 27.656 -4.917 -22.900 1.00 0.00 N ATOM 0 H ASN A 22 23.324 -2.997 -24.093 1.00 0.00 H new ATOM 0 HA ASN A 22 25.952 -2.588 -25.305 1.00 0.00 H new ATOM 0 HB2 ASN A 22 25.541 -3.521 -22.970 1.00 0.00 H new ATOM 0 HB3 ASN A 22 24.880 -4.952 -23.736 1.00 0.00 H new ATOM 0 HD21 ASN A 22 28.600 -5.302 -22.936 1.00 0.00 H new ATOM 0 HD22 ASN A 22 27.228 -4.699 -22.000 1.00 0.00 H new ATOM 313 N ARG A 23 25.645 -3.929 -27.352 1.00 0.00 N ATOM 314 CA ARG A 23 25.480 -4.661 -28.606 1.00 0.00 C ATOM 315 C ARG A 23 25.822 -6.143 -28.446 1.00 0.00 C ATOM 316 O ARG A 23 25.325 -6.983 -29.194 1.00 0.00 O ATOM 317 CB ARG A 23 26.359 -4.036 -29.694 1.00 0.00 C ATOM 318 CG ARG A 23 27.832 -3.976 -29.322 1.00 0.00 C ATOM 319 CD ARG A 23 28.657 -3.247 -30.370 1.00 0.00 C ATOM 320 NE ARG A 23 28.721 -3.969 -31.636 1.00 0.00 N ATOM 321 CZ ARG A 23 29.856 -4.254 -32.271 1.00 0.00 C ATOM 322 NH1 ARG A 23 31.028 -3.977 -31.710 1.00 0.00 N ATOM 323 NH2 ARG A 23 29.818 -4.852 -33.451 1.00 0.00 N ATOM 0 H ARG A 23 26.380 -3.222 -27.376 1.00 0.00 H new ATOM 0 HA ARG A 23 24.432 -4.592 -28.897 1.00 0.00 H new ATOM 0 HB2 ARG A 23 26.248 -4.610 -30.614 1.00 0.00 H new ATOM 0 HB3 ARG A 23 26.003 -3.027 -29.902 1.00 0.00 H new ATOM 0 HG2 ARG A 23 27.943 -3.474 -28.361 1.00 0.00 H new ATOM 0 HG3 ARG A 23 28.216 -4.989 -29.199 1.00 0.00 H new ATOM 0 HD2 ARG A 23 28.229 -2.259 -30.541 1.00 0.00 H new ATOM 0 HD3 ARG A 23 29.668 -3.096 -29.991 1.00 0.00 H new ATOM 0 HE ARG A 23 27.845 -4.273 -32.060 1.00 0.00 H new ATOM 0 HH11 ARG A 23 31.062 -3.543 -30.787 1.00 0.00 H new ATOM 0 HH12 ARG A 23 31.894 -4.198 -32.202 1.00 0.00 H new ATOM 0 HH21 ARG A 23 28.921 -5.093 -33.872 1.00 0.00 H new ATOM 0 HH22 ARG A 23 30.686 -5.071 -33.940 1.00 0.00 H new ATOM 337 N LYS A 24 26.658 -6.459 -27.463 1.00 0.00 N ATOM 338 CA LYS A 24 27.111 -7.830 -27.263 1.00 0.00 C ATOM 339 C LYS A 24 26.025 -8.677 -26.611 1.00 0.00 C ATOM 340 O LYS A 24 25.681 -9.750 -27.106 1.00 0.00 O ATOM 341 CB LYS A 24 28.376 -7.856 -26.408 1.00 0.00 C ATOM 342 CG LYS A 24 29.533 -7.075 -27.008 1.00 0.00 C ATOM 343 CD LYS A 24 30.764 -7.141 -26.122 1.00 0.00 C ATOM 344 CE LYS A 24 30.480 -6.589 -24.735 1.00 0.00 C ATOM 345 NZ LYS A 24 31.659 -6.694 -23.839 1.00 0.00 N ATOM 0 H LYS A 24 27.034 -5.787 -26.795 1.00 0.00 H new ATOM 0 HA LYS A 24 27.336 -8.253 -28.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 28.147 -7.450 -25.423 1.00 0.00 H new ATOM 0 HB3 LYS A 24 28.684 -8.891 -26.262 1.00 0.00 H new ATOM 0 HG2 LYS A 24 29.771 -7.474 -27.994 1.00 0.00 H new ATOM 0 HG3 LYS A 24 29.238 -6.035 -27.147 1.00 0.00 H new ATOM 0 HD2 LYS A 24 31.101 -8.174 -26.042 1.00 0.00 H new ATOM 0 HD3 LYS A 24 31.575 -6.576 -26.581 1.00 0.00 H new ATOM 0 HE2 LYS A 24 30.179 -5.545 -24.816 1.00 0.00 H new ATOM 0 HE3 LYS A 24 29.642 -7.129 -24.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 31.420 -6.306 -22.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 31.932 -7.693 -23.740 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 32.452 -6.157 -24.244 1.00 0.00 H new ATOM 359 N THR A 25 25.489 -8.197 -25.500 1.00 0.00 N ATOM 360 CA THR A 25 24.436 -8.916 -24.797 1.00 0.00 C ATOM 361 C THR A 25 23.080 -8.675 -25.455 1.00 0.00 C ATOM 362 O THR A 25 22.175 -9.509 -25.376 1.00 0.00 O ATOM 363 CB THR A 25 24.376 -8.497 -23.318 1.00 0.00 C ATOM 364 OG1 THR A 25 24.411 -7.067 -23.218 1.00 0.00 O ATOM 365 CG2 THR A 25 25.536 -9.093 -22.536 1.00 0.00 C ATOM 0 H THR A 25 25.764 -7.316 -25.066 1.00 0.00 H new ATOM 0 HA THR A 25 24.671 -9.979 -24.852 1.00 0.00 H new ATOM 0 HB THR A 25 23.445 -8.872 -22.893 1.00 0.00 H new ATOM 0 HG1 THR A 25 24.371 -6.804 -22.275 1.00 0.00 H new ATOM 0 HG21 THR A 25 25.470 -8.782 -21.494 1.00 0.00 H new ATOM 0 HG22 THR A 25 25.493 -10.181 -22.593 1.00 0.00 H new ATOM 0 HG23 THR A 25 26.478 -8.745 -22.960 1.00 0.00 H new ATOM 373 N GLY A 26 22.953 -7.532 -26.113 1.00 0.00 N ATOM 374 CA GLY A 26 21.732 -7.203 -26.813 1.00 0.00 C ATOM 375 C GLY A 26 20.661 -6.690 -25.878 1.00 0.00 C ATOM 376 O GLY A 26 19.471 -6.810 -26.166 1.00 0.00 O ATOM 0 H GLY A 26 23.682 -6.822 -26.174 1.00 0.00 H new ATOM 0 HA2 GLY A 26 21.942 -6.449 -27.572 1.00 0.00 H new ATOM 0 HA3 GLY A 26 21.364 -8.087 -27.335 1.00 0.00 H new ATOM 380 N ARG A 27 21.079 -6.118 -24.756 1.00 0.00 N ATOM 381 CA ARG A 27 20.139 -5.621 -23.761 1.00 0.00 C ATOM 382 C ARG A 27 20.526 -4.228 -23.281 1.00 0.00 C ATOM 383 O ARG A 27 21.621 -3.737 -23.569 1.00 0.00 O ATOM 384 CB ARG A 27 20.062 -6.564 -22.558 1.00 0.00 C ATOM 385 CG ARG A 27 19.529 -7.950 -22.881 1.00 0.00 C ATOM 386 CD ARG A 27 19.165 -8.700 -21.611 1.00 0.00 C ATOM 387 NE ARG A 27 18.103 -8.015 -20.876 1.00 0.00 N ATOM 388 CZ ARG A 27 18.083 -7.850 -19.552 1.00 0.00 C ATOM 389 NH1 ARG A 27 19.016 -8.406 -18.785 1.00 0.00 N ATOM 390 NH2 ARG A 27 17.106 -7.142 -18.998 1.00 0.00 N ATOM 0 H ARG A 27 22.061 -5.987 -24.513 1.00 0.00 H new ATOM 0 HA ARG A 27 19.162 -5.572 -24.242 1.00 0.00 H new ATOM 0 HB2 ARG A 27 21.057 -6.662 -22.124 1.00 0.00 H new ATOM 0 HB3 ARG A 27 19.426 -6.112 -21.797 1.00 0.00 H new ATOM 0 HG2 ARG A 27 18.652 -7.866 -23.523 1.00 0.00 H new ATOM 0 HG3 ARG A 27 20.279 -8.512 -23.438 1.00 0.00 H new ATOM 0 HD2 ARG A 27 18.843 -9.710 -21.862 1.00 0.00 H new ATOM 0 HD3 ARG A 27 20.046 -8.795 -20.977 1.00 0.00 H new ATOM 0 HE ARG A 27 17.323 -7.637 -21.413 1.00 0.00 H new ATOM 0 HH11 ARG A 27 19.757 -8.965 -19.208 1.00 0.00 H new ATOM 0 HH12 ARG A 27 18.991 -8.273 -17.774 1.00 0.00 H new ATOM 0 HH21 ARG A 27 16.380 -6.730 -19.584 1.00 0.00 H new ATOM 0 HH22 ARG A 27 17.082 -7.010 -17.987 1.00 0.00 H new ATOM 404 N TYR A 28 19.614 -3.606 -22.546 1.00 0.00 N ATOM 405 CA TYR A 28 19.841 -2.297 -21.960 1.00 0.00 C ATOM 406 C TYR A 28 20.306 -2.478 -20.521 1.00 0.00 C ATOM 407 O TYR A 28 19.516 -2.847 -19.650 1.00 0.00 O ATOM 408 CB TYR A 28 18.542 -1.484 -22.002 1.00 0.00 C ATOM 409 CG TYR A 28 18.731 0.012 -21.935 1.00 0.00 C ATOM 410 CD1 TYR A 28 19.626 0.651 -22.779 1.00 0.00 C ATOM 411 CD2 TYR A 28 17.995 0.786 -21.049 1.00 0.00 C ATOM 412 CE1 TYR A 28 19.788 2.020 -22.741 1.00 0.00 C ATOM 413 CE2 TYR A 28 18.152 2.156 -21.004 1.00 0.00 C ATOM 414 CZ TYR A 28 19.051 2.768 -21.852 1.00 0.00 C ATOM 415 OH TYR A 28 19.209 4.133 -21.816 1.00 0.00 O ATOM 0 H TYR A 28 18.695 -3.998 -22.340 1.00 0.00 H new ATOM 0 HA TYR A 28 20.605 -1.761 -22.522 1.00 0.00 H new ATOM 0 HB2 TYR A 28 18.006 -1.728 -22.919 1.00 0.00 H new ATOM 0 HB3 TYR A 28 17.908 -1.794 -21.171 1.00 0.00 H new ATOM 0 HD1 TYR A 28 20.206 0.067 -23.478 1.00 0.00 H new ATOM 0 HD2 TYR A 28 17.289 0.309 -20.385 1.00 0.00 H new ATOM 0 HE1 TYR A 28 20.490 2.502 -23.405 1.00 0.00 H new ATOM 0 HE2 TYR A 28 17.574 2.746 -20.308 1.00 0.00 H new ATOM 0 HH TYR A 28 18.358 4.554 -21.572 1.00 0.00 H new ATOM 425 N ILE A 29 21.581 -2.228 -20.269 1.00 0.00 N ATOM 426 CA ILE A 29 22.163 -2.530 -18.968 1.00 0.00 C ATOM 427 C ILE A 29 22.642 -1.272 -18.258 1.00 0.00 C ATOM 428 O ILE A 29 22.879 -0.242 -18.886 1.00 0.00 O ATOM 429 CB ILE A 29 23.320 -3.559 -19.081 1.00 0.00 C ATOM 430 CG1 ILE A 29 24.281 -3.213 -20.230 1.00 0.00 C ATOM 431 CG2 ILE A 29 22.760 -4.961 -19.268 1.00 0.00 C ATOM 432 CD1 ILE A 29 25.277 -2.118 -19.906 1.00 0.00 C ATOM 0 H ILE A 29 22.230 -1.820 -20.942 1.00 0.00 H new ATOM 0 HA ILE A 29 21.370 -2.976 -18.368 1.00 0.00 H new ATOM 0 HB ILE A 29 23.889 -3.520 -18.152 1.00 0.00 H new ATOM 0 HG12 ILE A 29 24.828 -4.112 -20.513 1.00 0.00 H new ATOM 0 HG13 ILE A 29 23.696 -2.909 -21.098 1.00 0.00 H new ATOM 0 HG21 ILE A 29 23.581 -5.673 -19.346 1.00 0.00 H new ATOM 0 HG22 ILE A 29 22.135 -5.220 -18.414 1.00 0.00 H new ATOM 0 HG23 ILE A 29 22.162 -4.996 -20.179 1.00 0.00 H new ATOM 0 HD11 ILE A 29 25.915 -1.939 -20.772 1.00 0.00 H new ATOM 0 HD12 ILE A 29 24.742 -1.203 -19.653 1.00 0.00 H new ATOM 0 HD13 ILE A 29 25.892 -2.424 -19.060 1.00 0.00 H new ATOM 444 N VAL A 30 22.765 -1.368 -16.941 1.00 0.00 N ATOM 445 CA VAL A 30 23.176 -0.240 -16.120 1.00 0.00 C ATOM 446 C VAL A 30 24.629 -0.403 -15.679 1.00 0.00 C ATOM 447 O VAL A 30 25.122 -1.525 -15.530 1.00 0.00 O ATOM 448 CB VAL A 30 22.256 -0.090 -14.881 1.00 0.00 C ATOM 449 CG1 VAL A 30 22.378 -1.295 -13.957 1.00 0.00 C ATOM 450 CG2 VAL A 30 22.551 1.201 -14.129 1.00 0.00 C ATOM 0 H VAL A 30 22.584 -2.224 -16.416 1.00 0.00 H new ATOM 0 HA VAL A 30 23.089 0.664 -16.722 1.00 0.00 H new ATOM 0 HB VAL A 30 21.227 -0.043 -15.238 1.00 0.00 H new ATOM 0 HG11 VAL A 30 21.722 -1.162 -13.097 1.00 0.00 H new ATOM 0 HG12 VAL A 30 22.091 -2.198 -14.496 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.409 -1.389 -13.616 1.00 0.00 H new ATOM 0 HG21 VAL A 30 21.890 1.278 -13.265 1.00 0.00 H new ATOM 0 HG22 VAL A 30 23.588 1.198 -13.793 1.00 0.00 H new ATOM 0 HG23 VAL A 30 22.386 2.052 -14.789 1.00 0.00 H new ATOM 460 N ARG A 31 25.317 0.716 -15.514 1.00 0.00 N ATOM 461 CA ARG A 31 26.692 0.718 -15.048 1.00 0.00 C ATOM 462 C ARG A 31 26.997 2.062 -14.395 1.00 0.00 C ATOM 463 O ARG A 31 26.449 3.086 -14.798 1.00 0.00 O ATOM 464 CB ARG A 31 27.634 0.467 -16.228 1.00 0.00 C ATOM 465 CG ARG A 31 28.997 -0.088 -15.841 1.00 0.00 C ATOM 466 CD ARG A 31 28.870 -1.381 -15.047 1.00 0.00 C ATOM 467 NE ARG A 31 27.824 -2.260 -15.576 1.00 0.00 N ATOM 468 CZ ARG A 31 28.001 -3.544 -15.886 1.00 0.00 C ATOM 469 NH1 ARG A 31 29.205 -4.100 -15.799 1.00 0.00 N ATOM 470 NH2 ARG A 31 26.968 -4.269 -16.295 1.00 0.00 N ATOM 0 H ARG A 31 24.938 1.645 -15.699 1.00 0.00 H new ATOM 0 HA ARG A 31 26.838 -0.074 -14.314 1.00 0.00 H new ATOM 0 HB2 ARG A 31 27.155 -0.228 -16.917 1.00 0.00 H new ATOM 0 HB3 ARG A 31 27.777 1.403 -16.768 1.00 0.00 H new ATOM 0 HG2 ARG A 31 29.586 -0.269 -16.740 1.00 0.00 H new ATOM 0 HG3 ARG A 31 29.537 0.651 -15.250 1.00 0.00 H new ATOM 0 HD2 ARG A 31 29.824 -1.908 -15.060 1.00 0.00 H new ATOM 0 HD3 ARG A 31 28.650 -1.145 -14.006 1.00 0.00 H new ATOM 0 HE ARG A 31 26.896 -1.861 -15.717 1.00 0.00 H new ATOM 0 HH11 ARG A 31 30.003 -3.543 -15.493 1.00 0.00 H new ATOM 0 HH12 ARG A 31 29.331 -5.083 -16.038 1.00 0.00 H new ATOM 0 HH21 ARG A 31 26.044 -3.843 -16.371 1.00 0.00 H new ATOM 0 HH22 ARG A 31 27.098 -5.252 -16.534 1.00 0.00 H new ATOM 484 N PHE A 32 27.851 2.064 -13.384 1.00 0.00 N ATOM 485 CA PHE A 32 28.184 3.298 -12.680 1.00 0.00 C ATOM 486 C PHE A 32 29.435 3.935 -13.265 1.00 0.00 C ATOM 487 O PHE A 32 29.829 5.034 -12.875 1.00 0.00 O ATOM 488 CB PHE A 32 28.399 3.029 -11.189 1.00 0.00 C ATOM 489 CG PHE A 32 27.186 2.493 -10.489 1.00 0.00 C ATOM 490 CD1 PHE A 32 26.147 3.337 -10.135 1.00 0.00 C ATOM 491 CD2 PHE A 32 27.087 1.146 -10.182 1.00 0.00 C ATOM 492 CE1 PHE A 32 25.031 2.847 -9.488 1.00 0.00 C ATOM 493 CE2 PHE A 32 25.974 0.650 -9.534 1.00 0.00 C ATOM 494 CZ PHE A 32 24.945 1.502 -9.186 1.00 0.00 C ATOM 0 H PHE A 32 28.325 1.232 -13.032 1.00 0.00 H new ATOM 0 HA PHE A 32 27.346 3.985 -12.802 1.00 0.00 H new ATOM 0 HB2 PHE A 32 29.218 2.319 -11.072 1.00 0.00 H new ATOM 0 HB3 PHE A 32 28.708 3.955 -10.703 1.00 0.00 H new ATOM 0 HD1 PHE A 32 26.211 4.390 -10.368 1.00 0.00 H new ATOM 0 HD2 PHE A 32 27.890 0.476 -10.453 1.00 0.00 H new ATOM 0 HE1 PHE A 32 24.226 3.514 -9.218 1.00 0.00 H new ATOM 0 HE2 PHE A 32 25.908 -0.402 -9.300 1.00 0.00 H new ATOM 0 HZ PHE A 32 24.073 1.117 -8.678 1.00 0.00 H new ATOM 504 N SER A 33 30.057 3.245 -14.204 1.00 0.00 N ATOM 505 CA SER A 33 31.317 3.696 -14.760 1.00 0.00 C ATOM 506 C SER A 33 31.210 3.934 -16.260 1.00 0.00 C ATOM 507 O SER A 33 31.067 2.994 -17.041 1.00 0.00 O ATOM 508 CB SER A 33 32.404 2.665 -14.459 1.00 0.00 C ATOM 509 OG SER A 33 32.435 2.363 -13.073 1.00 0.00 O ATOM 0 H SER A 33 29.709 2.370 -14.597 1.00 0.00 H new ATOM 0 HA SER A 33 31.579 4.647 -14.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 32.219 1.756 -15.031 1.00 0.00 H new ATOM 0 HB3 SER A 33 33.374 3.048 -14.775 1.00 0.00 H new ATOM 0 HG SER A 33 33.135 1.700 -12.898 1.00 0.00 H new ATOM 515 N GLU A 34 31.275 5.201 -16.649 1.00 0.00 N ATOM 516 CA GLU A 34 31.303 5.585 -18.057 1.00 0.00 C ATOM 517 C GLU A 34 32.557 5.024 -18.718 1.00 0.00 C ATOM 518 O GLU A 34 32.562 4.685 -19.899 1.00 0.00 O ATOM 519 CB GLU A 34 31.299 7.108 -18.171 1.00 0.00 C ATOM 520 CG GLU A 34 30.166 7.767 -17.405 1.00 0.00 C ATOM 521 CD GLU A 34 30.526 9.159 -16.932 1.00 0.00 C ATOM 522 OE1 GLU A 34 31.411 9.276 -16.056 1.00 0.00 O ATOM 523 OE2 GLU A 34 29.928 10.137 -17.419 1.00 0.00 O ATOM 0 H GLU A 34 31.310 5.989 -16.002 1.00 0.00 H new ATOM 0 HA GLU A 34 30.423 5.183 -18.559 1.00 0.00 H new ATOM 0 HB2 GLU A 34 32.249 7.495 -17.803 1.00 0.00 H new ATOM 0 HB3 GLU A 34 31.227 7.386 -19.222 1.00 0.00 H new ATOM 0 HG2 GLU A 34 29.282 7.819 -18.041 1.00 0.00 H new ATOM 0 HG3 GLU A 34 29.904 7.150 -16.545 1.00 0.00 H new ATOM 530 N ASP A 35 33.609 4.907 -17.916 1.00 0.00 N ATOM 531 CA ASP A 35 34.899 4.388 -18.368 1.00 0.00 C ATOM 532 C ASP A 35 34.824 2.887 -18.659 1.00 0.00 C ATOM 533 O ASP A 35 35.761 2.295 -19.195 1.00 0.00 O ATOM 534 CB ASP A 35 35.960 4.676 -17.295 1.00 0.00 C ATOM 535 CG ASP A 35 37.326 4.109 -17.625 1.00 0.00 C ATOM 536 OD1 ASP A 35 38.035 4.697 -18.471 1.00 0.00 O ATOM 537 OD2 ASP A 35 37.711 3.086 -17.023 1.00 0.00 O ATOM 0 H ASP A 35 33.594 5.170 -16.931 1.00 0.00 H new ATOM 0 HA ASP A 35 35.173 4.886 -19.298 1.00 0.00 H new ATOM 0 HB2 ASP A 35 36.046 5.754 -17.161 1.00 0.00 H new ATOM 0 HB3 ASP A 35 35.624 4.263 -16.344 1.00 0.00 H new ATOM 542 N SER A 36 33.692 2.277 -18.337 1.00 0.00 N ATOM 543 CA SER A 36 33.534 0.843 -18.508 1.00 0.00 C ATOM 544 C SER A 36 32.943 0.544 -19.885 1.00 0.00 C ATOM 545 O SER A 36 32.764 -0.613 -20.264 1.00 0.00 O ATOM 546 CB SER A 36 32.645 0.272 -17.396 1.00 0.00 C ATOM 547 OG SER A 36 32.717 -1.143 -17.340 1.00 0.00 O ATOM 0 H SER A 36 32.873 2.752 -17.957 1.00 0.00 H new ATOM 0 HA SER A 36 34.511 0.365 -18.441 1.00 0.00 H new ATOM 0 HB2 SER A 36 32.949 0.690 -16.436 1.00 0.00 H new ATOM 0 HB3 SER A 36 31.612 0.577 -17.563 1.00 0.00 H new ATOM 0 HG SER A 36 32.741 -1.506 -18.250 1.00 0.00 H new ATOM 553 N PHE A 37 32.656 1.600 -20.636 1.00 0.00 N ATOM 554 CA PHE A 37 32.100 1.459 -21.970 1.00 0.00 C ATOM 555 C PHE A 37 33.153 1.786 -23.022 1.00 0.00 C ATOM 556 O PHE A 37 33.705 2.887 -23.035 1.00 0.00 O ATOM 557 CB PHE A 37 30.887 2.376 -22.149 1.00 0.00 C ATOM 558 CG PHE A 37 29.749 2.076 -21.212 1.00 0.00 C ATOM 559 CD1 PHE A 37 28.884 1.026 -21.468 1.00 0.00 C ATOM 560 CD2 PHE A 37 29.539 2.850 -20.082 1.00 0.00 C ATOM 561 CE1 PHE A 37 27.831 0.753 -20.615 1.00 0.00 C ATOM 562 CE2 PHE A 37 28.489 2.581 -19.225 1.00 0.00 C ATOM 563 CZ PHE A 37 27.634 1.531 -19.493 1.00 0.00 C ATOM 0 H PHE A 37 32.801 2.565 -20.340 1.00 0.00 H new ATOM 0 HA PHE A 37 31.780 0.425 -22.097 1.00 0.00 H new ATOM 0 HB2 PHE A 37 31.201 3.409 -22.003 1.00 0.00 H new ATOM 0 HB3 PHE A 37 30.530 2.293 -23.176 1.00 0.00 H new ATOM 0 HD1 PHE A 37 29.034 0.413 -22.344 1.00 0.00 H new ATOM 0 HD2 PHE A 37 30.204 3.674 -19.868 1.00 0.00 H new ATOM 0 HE1 PHE A 37 27.163 -0.069 -20.827 1.00 0.00 H new ATOM 0 HE2 PHE A 37 28.338 3.191 -18.347 1.00 0.00 H new ATOM 0 HZ PHE A 37 26.812 1.319 -18.825 1.00 0.00 H new ATOM 573 N GLY A 38 33.434 0.821 -23.887 1.00 0.00 N ATOM 574 CA GLY A 38 34.384 1.036 -24.962 1.00 0.00 C ATOM 575 C GLY A 38 33.736 1.682 -26.170 1.00 0.00 C ATOM 576 O GLY A 38 33.154 2.761 -26.068 1.00 0.00 O ATOM 0 H GLY A 38 33.020 -0.111 -23.864 1.00 0.00 H new ATOM 0 HA2 GLY A 38 35.198 1.667 -24.606 1.00 0.00 H new ATOM 0 HA3 GLY A 38 34.824 0.082 -25.253 1.00 0.00 H new ATOM 580 N MET A 39 33.816 1.019 -27.316 1.00 0.00 N ATOM 581 CA MET A 39 33.216 1.546 -28.537 1.00 0.00 C ATOM 582 C MET A 39 31.936 0.790 -28.868 1.00 0.00 C ATOM 583 O MET A 39 31.207 1.155 -29.789 1.00 0.00 O ATOM 584 CB MET A 39 34.195 1.463 -29.713 1.00 0.00 C ATOM 585 CG MET A 39 34.483 0.046 -30.181 1.00 0.00 C ATOM 586 SD MET A 39 35.646 -0.004 -31.558 1.00 0.00 S ATOM 587 CE MET A 39 35.714 -1.765 -31.879 1.00 0.00 C ATOM 0 H MET A 39 34.287 0.121 -27.427 1.00 0.00 H new ATOM 0 HA MET A 39 32.975 2.595 -28.367 1.00 0.00 H new ATOM 0 HB2 MET A 39 33.792 2.035 -30.549 1.00 0.00 H new ATOM 0 HB3 MET A 39 35.133 1.937 -29.425 1.00 0.00 H new ATOM 0 HG2 MET A 39 34.884 -0.533 -29.349 1.00 0.00 H new ATOM 0 HG3 MET A 39 33.550 -0.431 -30.480 1.00 0.00 H new ATOM 0 HE1 MET A 39 36.395 -1.958 -32.708 1.00 0.00 H new ATOM 0 HE2 MET A 39 36.070 -2.284 -30.989 1.00 0.00 H new ATOM 0 HE3 MET A 39 34.718 -2.127 -32.136 1.00 0.00 H new ATOM 597 N ASP A 40 31.676 -0.273 -28.113 1.00 0.00 N ATOM 598 CA ASP A 40 30.473 -1.078 -28.307 1.00 0.00 C ATOM 599 C ASP A 40 29.233 -0.268 -27.978 1.00 0.00 C ATOM 600 O ASP A 40 28.267 -0.248 -28.741 1.00 0.00 O ATOM 601 CB ASP A 40 30.508 -2.340 -27.440 1.00 0.00 C ATOM 602 CG ASP A 40 31.580 -3.313 -27.876 1.00 0.00 C ATOM 603 OD1 ASP A 40 31.468 -3.868 -28.988 1.00 0.00 O ATOM 604 OD2 ASP A 40 32.548 -3.514 -27.116 1.00 0.00 O ATOM 0 H ASP A 40 32.283 -0.598 -27.360 1.00 0.00 H new ATOM 0 HA ASP A 40 30.439 -1.377 -29.355 1.00 0.00 H new ATOM 0 HB2 ASP A 40 30.679 -2.058 -26.401 1.00 0.00 H new ATOM 0 HB3 ASP A 40 29.536 -2.832 -27.481 1.00 0.00 H new ATOM 609 N VAL A 41 29.269 0.394 -26.836 1.00 0.00 N ATOM 610 CA VAL A 41 28.184 1.263 -26.423 1.00 0.00 C ATOM 611 C VAL A 41 28.551 2.706 -26.735 1.00 0.00 C ATOM 612 O VAL A 41 29.559 3.215 -26.247 1.00 0.00 O ATOM 613 CB VAL A 41 27.880 1.115 -24.916 1.00 0.00 C ATOM 614 CG1 VAL A 41 26.693 1.976 -24.512 1.00 0.00 C ATOM 615 CG2 VAL A 41 27.631 -0.344 -24.561 1.00 0.00 C ATOM 0 H VAL A 41 30.044 0.345 -26.174 1.00 0.00 H new ATOM 0 HA VAL A 41 27.287 0.976 -26.973 1.00 0.00 H new ATOM 0 HB VAL A 41 28.751 1.461 -24.360 1.00 0.00 H new ATOM 0 HG11 VAL A 41 26.500 1.853 -23.446 1.00 0.00 H new ATOM 0 HG12 VAL A 41 26.914 3.022 -24.722 1.00 0.00 H new ATOM 0 HG13 VAL A 41 25.813 1.670 -25.077 1.00 0.00 H new ATOM 0 HG21 VAL A 41 27.419 -0.428 -23.495 1.00 0.00 H new ATOM 0 HG22 VAL A 41 26.780 -0.717 -25.131 1.00 0.00 H new ATOM 0 HG23 VAL A 41 28.516 -0.933 -24.802 1.00 0.00 H new ATOM 625 N ALA A 42 27.746 3.347 -27.568 1.00 0.00 N ATOM 626 CA ALA A 42 28.011 4.711 -27.997 1.00 0.00 C ATOM 627 C ALA A 42 27.949 5.676 -26.820 1.00 0.00 C ATOM 628 O ALA A 42 27.150 5.498 -25.900 1.00 0.00 O ATOM 629 CB ALA A 42 27.022 5.119 -29.077 1.00 0.00 C ATOM 0 H ALA A 42 26.898 2.941 -27.963 1.00 0.00 H new ATOM 0 HA ALA A 42 29.019 4.753 -28.409 1.00 0.00 H new ATOM 0 HB1 ALA A 42 27.228 6.142 -29.392 1.00 0.00 H new ATOM 0 HB2 ALA A 42 27.120 4.450 -29.932 1.00 0.00 H new ATOM 0 HB3 ALA A 42 26.008 5.058 -28.683 1.00 0.00 H new ATOM 635 N ASP A 43 28.786 6.702 -26.852 1.00 0.00 N ATOM 636 CA ASP A 43 28.834 7.677 -25.766 1.00 0.00 C ATOM 637 C ASP A 43 27.507 8.418 -25.653 1.00 0.00 C ATOM 638 O ASP A 43 27.111 8.833 -24.567 1.00 0.00 O ATOM 639 CB ASP A 43 29.973 8.681 -25.975 1.00 0.00 C ATOM 640 CG ASP A 43 29.686 9.683 -27.076 1.00 0.00 C ATOM 641 OD1 ASP A 43 29.862 9.335 -28.263 1.00 0.00 O ATOM 642 OD2 ASP A 43 29.288 10.824 -26.760 1.00 0.00 O ATOM 0 H ASP A 43 29.440 6.883 -27.614 1.00 0.00 H new ATOM 0 HA ASP A 43 29.018 7.133 -24.840 1.00 0.00 H new ATOM 0 HB2 ASP A 43 30.154 9.216 -25.043 1.00 0.00 H new ATOM 0 HB3 ASP A 43 30.888 8.139 -26.214 1.00 0.00 H new ATOM 647 N ASP A 44 26.815 8.561 -26.778 1.00 0.00 N ATOM 648 CA ASP A 44 25.529 9.250 -26.804 1.00 0.00 C ATOM 649 C ASP A 44 24.418 8.331 -26.313 1.00 0.00 C ATOM 650 O ASP A 44 23.341 8.791 -25.932 1.00 0.00 O ATOM 651 CB ASP A 44 25.202 9.745 -28.216 1.00 0.00 C ATOM 652 CG ASP A 44 24.817 8.620 -29.155 1.00 0.00 C ATOM 653 OD1 ASP A 44 25.723 7.943 -29.680 1.00 0.00 O ATOM 654 OD2 ASP A 44 23.608 8.411 -29.375 1.00 0.00 O ATOM 0 H ASP A 44 27.123 8.209 -27.685 1.00 0.00 H new ATOM 0 HA ASP A 44 25.599 10.110 -26.139 1.00 0.00 H new ATOM 0 HB2 ASP A 44 24.385 10.465 -28.164 1.00 0.00 H new ATOM 0 HB3 ASP A 44 26.066 10.272 -28.621 1.00 0.00 H new ATOM 659 N SER A 45 24.682 7.028 -26.320 1.00 0.00 N ATOM 660 CA SER A 45 23.700 6.060 -25.862 1.00 0.00 C ATOM 661 C SER A 45 23.862 5.815 -24.363 1.00 0.00 C ATOM 662 O SER A 45 23.026 5.170 -23.733 1.00 0.00 O ATOM 663 CB SER A 45 23.811 4.750 -26.656 1.00 0.00 C ATOM 664 OG SER A 45 25.050 4.097 -26.441 1.00 0.00 O ATOM 0 H SER A 45 25.563 6.623 -26.636 1.00 0.00 H new ATOM 0 HA SER A 45 22.703 6.465 -26.036 1.00 0.00 H new ATOM 0 HB2 SER A 45 22.997 4.084 -26.370 1.00 0.00 H new ATOM 0 HB3 SER A 45 23.693 4.960 -27.719 1.00 0.00 H new ATOM 0 HG SER A 45 25.624 4.661 -25.882 1.00 0.00 H new ATOM 670 N ILE A 46 24.946 6.339 -23.798 1.00 0.00 N ATOM 671 CA ILE A 46 25.158 6.280 -22.360 1.00 0.00 C ATOM 672 C ILE A 46 24.336 7.370 -21.685 1.00 0.00 C ATOM 673 O ILE A 46 24.699 8.548 -21.719 1.00 0.00 O ATOM 674 CB ILE A 46 26.650 6.450 -21.980 1.00 0.00 C ATOM 675 CG1 ILE A 46 27.506 5.376 -22.660 1.00 0.00 C ATOM 676 CG2 ILE A 46 26.827 6.390 -20.466 1.00 0.00 C ATOM 677 CD1 ILE A 46 28.988 5.503 -22.366 1.00 0.00 C ATOM 0 H ILE A 46 25.689 6.808 -24.316 1.00 0.00 H new ATOM 0 HA ILE A 46 24.842 5.294 -22.019 1.00 0.00 H new ATOM 0 HB ILE A 46 26.982 7.428 -22.329 1.00 0.00 H new ATOM 0 HG12 ILE A 46 27.163 4.393 -22.338 1.00 0.00 H new ATOM 0 HG13 ILE A 46 27.352 5.430 -23.738 1.00 0.00 H new ATOM 0 HG21 ILE A 46 27.881 6.511 -20.218 1.00 0.00 H new ATOM 0 HG22 ILE A 46 26.250 7.189 -20.000 1.00 0.00 H new ATOM 0 HG23 ILE A 46 26.476 5.427 -20.097 1.00 0.00 H new ATOM 0 HD11 ILE A 46 29.530 4.710 -22.880 1.00 0.00 H new ATOM 0 HD12 ILE A 46 29.346 6.472 -22.714 1.00 0.00 H new ATOM 0 HD13 ILE A 46 29.154 5.419 -21.292 1.00 0.00 H new ATOM 689 N THR A 47 23.218 6.979 -21.104 1.00 0.00 N ATOM 690 CA THR A 47 22.318 7.924 -20.476 1.00 0.00 C ATOM 691 C THR A 47 22.065 7.538 -19.022 1.00 0.00 C ATOM 692 O THR A 47 21.771 6.385 -18.724 1.00 0.00 O ATOM 693 CB THR A 47 20.979 7.991 -21.244 1.00 0.00 C ATOM 694 OG1 THR A 47 21.220 8.377 -22.604 1.00 0.00 O ATOM 695 CG2 THR A 47 20.018 8.982 -20.604 1.00 0.00 C ATOM 0 H THR A 47 22.911 6.008 -21.054 1.00 0.00 H new ATOM 0 HA THR A 47 22.787 8.908 -20.502 1.00 0.00 H new ATOM 0 HB THR A 47 20.524 7.001 -21.209 1.00 0.00 H new ATOM 0 HG1 THR A 47 20.369 8.417 -23.088 1.00 0.00 H new ATOM 0 HG21 THR A 47 19.087 9.003 -21.170 1.00 0.00 H new ATOM 0 HG22 THR A 47 19.812 8.678 -19.578 1.00 0.00 H new ATOM 0 HG23 THR A 47 20.466 9.976 -20.605 1.00 0.00 H new ATOM 703 N PRO A 48 22.221 8.490 -18.091 1.00 0.00 N ATOM 704 CA PRO A 48 21.878 8.274 -16.685 1.00 0.00 C ATOM 705 C PRO A 48 20.429 7.826 -16.535 1.00 0.00 C ATOM 706 O PRO A 48 19.548 8.336 -17.223 1.00 0.00 O ATOM 707 CB PRO A 48 22.080 9.651 -16.044 1.00 0.00 C ATOM 708 CG PRO A 48 23.013 10.373 -16.955 1.00 0.00 C ATOM 709 CD PRO A 48 22.752 9.840 -18.337 1.00 0.00 C ATOM 0 HA PRO A 48 22.484 7.494 -16.224 1.00 0.00 H new ATOM 0 HB2 PRO A 48 21.134 10.183 -15.947 1.00 0.00 H new ATOM 0 HB3 PRO A 48 22.499 9.561 -15.042 1.00 0.00 H new ATOM 0 HG2 PRO A 48 22.841 11.449 -16.914 1.00 0.00 H new ATOM 0 HG3 PRO A 48 24.050 10.205 -16.663 1.00 0.00 H new ATOM 0 HD2 PRO A 48 22.037 10.460 -18.878 1.00 0.00 H new ATOM 0 HD3 PRO A 48 23.663 9.810 -18.934 1.00 0.00 H new ATOM 717 N THR A 49 20.183 6.878 -15.639 1.00 0.00 N ATOM 718 CA THR A 49 18.843 6.330 -15.449 1.00 0.00 C ATOM 719 C THR A 49 17.843 7.423 -15.057 1.00 0.00 C ATOM 720 O THR A 49 16.650 7.313 -15.340 1.00 0.00 O ATOM 721 CB THR A 49 18.836 5.195 -14.398 1.00 0.00 C ATOM 722 OG1 THR A 49 17.507 4.694 -14.212 1.00 0.00 O ATOM 723 CG2 THR A 49 19.396 5.669 -13.065 1.00 0.00 C ATOM 0 H THR A 49 20.894 6.471 -15.031 1.00 0.00 H new ATOM 0 HA THR A 49 18.533 5.909 -16.405 1.00 0.00 H new ATOM 0 HB THR A 49 19.474 4.395 -14.773 1.00 0.00 H new ATOM 0 HG1 THR A 49 17.519 3.976 -13.546 1.00 0.00 H new ATOM 0 HG21 THR A 49 19.377 4.847 -12.349 1.00 0.00 H new ATOM 0 HG22 THR A 49 20.423 6.007 -13.201 1.00 0.00 H new ATOM 0 HG23 THR A 49 18.790 6.493 -12.688 1.00 0.00 H new ATOM 731 N SER A 50 18.338 8.484 -14.432 1.00 0.00 N ATOM 732 CA SER A 50 17.510 9.629 -14.092 1.00 0.00 C ATOM 733 C SER A 50 17.132 10.411 -15.347 1.00 0.00 C ATOM 734 O SER A 50 15.987 10.804 -15.525 1.00 0.00 O ATOM 735 CB SER A 50 18.260 10.524 -13.107 1.00 0.00 C ATOM 736 OG SER A 50 19.658 10.466 -13.347 1.00 0.00 O ATOM 0 H SER A 50 19.314 8.573 -14.150 1.00 0.00 H new ATOM 0 HA SER A 50 16.589 9.278 -13.626 1.00 0.00 H new ATOM 0 HB2 SER A 50 17.911 11.552 -13.203 1.00 0.00 H new ATOM 0 HB3 SER A 50 18.047 10.209 -12.086 1.00 0.00 H new ATOM 0 HG SER A 50 20.100 10.016 -12.597 1.00 0.00 H new ATOM 742 N GLU A 51 18.099 10.601 -16.232 1.00 0.00 N ATOM 743 CA GLU A 51 17.872 11.336 -17.468 1.00 0.00 C ATOM 744 C GLU A 51 17.048 10.490 -18.436 1.00 0.00 C ATOM 745 O GLU A 51 16.370 11.011 -19.319 1.00 0.00 O ATOM 746 CB GLU A 51 19.214 11.726 -18.095 1.00 0.00 C ATOM 747 CG GLU A 51 19.091 12.644 -19.300 1.00 0.00 C ATOM 748 CD GLU A 51 20.440 13.106 -19.818 1.00 0.00 C ATOM 749 OE1 GLU A 51 20.986 14.088 -19.267 1.00 0.00 O ATOM 750 OE2 GLU A 51 20.962 12.496 -20.776 1.00 0.00 O ATOM 0 H GLU A 51 19.052 10.255 -16.117 1.00 0.00 H new ATOM 0 HA GLU A 51 17.315 12.246 -17.248 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.827 12.216 -17.339 1.00 0.00 H new ATOM 0 HB3 GLU A 51 19.740 10.820 -18.394 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.558 12.124 -20.096 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.492 13.514 -19.031 1.00 0.00 H new ATOM 757 N PHE A 52 17.104 9.179 -18.246 1.00 0.00 N ATOM 758 CA PHE A 52 16.377 8.239 -19.088 1.00 0.00 C ATOM 759 C PHE A 52 14.869 8.353 -18.873 1.00 0.00 C ATOM 760 O PHE A 52 14.100 8.389 -19.834 1.00 0.00 O ATOM 761 CB PHE A 52 16.841 6.809 -18.796 1.00 0.00 C ATOM 762 CG PHE A 52 16.122 5.755 -19.594 1.00 0.00 C ATOM 763 CD1 PHE A 52 16.375 5.601 -20.947 1.00 0.00 C ATOM 764 CD2 PHE A 52 15.197 4.915 -18.990 1.00 0.00 C ATOM 765 CE1 PHE A 52 15.722 4.631 -21.682 1.00 0.00 C ATOM 766 CE2 PHE A 52 14.541 3.944 -19.721 1.00 0.00 C ATOM 767 CZ PHE A 52 14.805 3.802 -21.068 1.00 0.00 C ATOM 0 H PHE A 52 17.652 8.738 -17.507 1.00 0.00 H new ATOM 0 HA PHE A 52 16.589 8.484 -20.129 1.00 0.00 H new ATOM 0 HB2 PHE A 52 17.910 6.737 -18.998 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.703 6.603 -17.735 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.091 6.247 -21.433 1.00 0.00 H new ATOM 0 HD2 PHE A 52 14.988 5.022 -17.936 1.00 0.00 H new ATOM 0 HE1 PHE A 52 15.929 4.521 -22.736 1.00 0.00 H new ATOM 0 HE2 PHE A 52 13.823 3.297 -19.239 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.294 3.043 -21.642 1.00 0.00 H new ATOM 777 N VAL A 53 14.452 8.424 -17.613 1.00 0.00 N ATOM 778 CA VAL A 53 13.031 8.429 -17.287 1.00 0.00 C ATOM 779 C VAL A 53 12.377 9.757 -17.657 1.00 0.00 C ATOM 780 O VAL A 53 11.164 9.825 -17.848 1.00 0.00 O ATOM 781 CB VAL A 53 12.774 8.124 -15.794 1.00 0.00 C ATOM 782 CG1 VAL A 53 13.315 6.752 -15.428 1.00 0.00 C ATOM 783 CG2 VAL A 53 13.382 9.191 -14.897 1.00 0.00 C ATOM 0 H VAL A 53 15.073 8.479 -16.806 1.00 0.00 H new ATOM 0 HA VAL A 53 12.580 7.634 -17.881 1.00 0.00 H new ATOM 0 HB VAL A 53 11.696 8.129 -15.636 1.00 0.00 H new ATOM 0 HG11 VAL A 53 13.125 6.555 -14.373 1.00 0.00 H new ATOM 0 HG12 VAL A 53 12.821 5.993 -16.034 1.00 0.00 H new ATOM 0 HG13 VAL A 53 14.389 6.723 -15.615 1.00 0.00 H new ATOM 0 HG21 VAL A 53 13.183 8.946 -13.854 1.00 0.00 H new ATOM 0 HG22 VAL A 53 14.459 9.234 -15.061 1.00 0.00 H new ATOM 0 HG23 VAL A 53 12.941 10.159 -15.133 1.00 0.00 H new ATOM 793 N TRP A 54 13.179 10.805 -17.770 1.00 0.00 N ATOM 794 CA TRP A 54 12.663 12.107 -18.157 1.00 0.00 C ATOM 795 C TRP A 54 12.738 12.283 -19.664 1.00 0.00 C ATOM 796 O TRP A 54 13.808 12.197 -20.261 1.00 0.00 O ATOM 797 CB TRP A 54 13.428 13.230 -17.458 1.00 0.00 C ATOM 798 CG TRP A 54 13.175 13.290 -15.985 1.00 0.00 C ATOM 799 CD1 TRP A 54 13.988 12.824 -14.996 1.00 0.00 C ATOM 800 CD2 TRP A 54 12.023 13.840 -15.336 1.00 0.00 C ATOM 801 NE1 TRP A 54 13.416 13.050 -13.769 1.00 0.00 N ATOM 802 CE2 TRP A 54 12.209 13.675 -13.951 1.00 0.00 C ATOM 803 CE3 TRP A 54 10.854 14.456 -15.792 1.00 0.00 C ATOM 804 CZ2 TRP A 54 11.270 14.105 -13.018 1.00 0.00 C ATOM 805 CZ3 TRP A 54 9.922 14.884 -14.865 1.00 0.00 C ATOM 806 CH2 TRP A 54 10.135 14.706 -13.493 1.00 0.00 C ATOM 0 H TRP A 54 14.184 10.779 -17.600 1.00 0.00 H new ATOM 0 HA TRP A 54 11.619 12.159 -17.848 1.00 0.00 H new ATOM 0 HB2 TRP A 54 14.496 13.095 -17.631 1.00 0.00 H new ATOM 0 HB3 TRP A 54 13.150 14.184 -17.907 1.00 0.00 H new ATOM 0 HD1 TRP A 54 14.944 12.346 -15.154 1.00 0.00 H new ATOM 0 HE1 TRP A 54 13.822 12.795 -12.869 1.00 0.00 H new ATOM 0 HE3 TRP A 54 10.682 14.595 -16.849 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 11.431 13.970 -11.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 9.016 15.363 -15.205 1.00 0.00 H new ATOM 0 HH2 TRP A 54 9.388 15.050 -12.794 1.00 0.00 H new ATOM 817 N SER A 55 11.593 12.506 -20.278 1.00 0.00 N ATOM 818 CA SER A 55 11.534 12.748 -21.703 1.00 0.00 C ATOM 819 C SER A 55 10.939 14.122 -21.965 1.00 0.00 C ATOM 820 O SER A 55 9.775 14.377 -21.654 1.00 0.00 O ATOM 821 CB SER A 55 10.711 11.654 -22.381 1.00 0.00 C ATOM 822 OG SER A 55 11.218 10.373 -22.044 1.00 0.00 O ATOM 0 H SER A 55 10.688 12.524 -19.808 1.00 0.00 H new ATOM 0 HA SER A 55 12.541 12.725 -22.121 1.00 0.00 H new ATOM 0 HB2 SER A 55 9.668 11.732 -22.074 1.00 0.00 H new ATOM 0 HB3 SER A 55 10.736 11.789 -23.462 1.00 0.00 H new ATOM 0 HG SER A 55 10.680 9.682 -22.484 1.00 0.00 H new ATOM 828 N SER A 56 11.751 15.014 -22.498 1.00 0.00 N ATOM 829 CA SER A 56 11.318 16.371 -22.753 1.00 0.00 C ATOM 830 C SER A 56 10.359 16.409 -23.934 1.00 0.00 C ATOM 831 O SER A 56 10.649 15.878 -25.006 1.00 0.00 O ATOM 832 CB SER A 56 12.521 17.280 -23.007 1.00 0.00 C ATOM 833 OG SER A 56 12.141 18.645 -22.989 1.00 0.00 O ATOM 0 H SER A 56 12.717 14.821 -22.763 1.00 0.00 H new ATOM 0 HA SER A 56 10.793 16.738 -21.871 1.00 0.00 H new ATOM 0 HB2 SER A 56 13.283 17.101 -22.248 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.968 17.036 -23.971 1.00 0.00 H new ATOM 0 HG SER A 56 12.003 18.958 -23.907 1.00 0.00 H new ATOM 839 N VAL A 57 9.209 17.024 -23.719 1.00 0.00 N ATOM 840 CA VAL A 57 8.207 17.175 -24.763 1.00 0.00 C ATOM 841 C VAL A 57 8.216 18.605 -25.281 1.00 0.00 C ATOM 842 O VAL A 57 7.448 18.974 -26.170 1.00 0.00 O ATOM 843 CB VAL A 57 6.797 16.817 -24.250 1.00 0.00 C ATOM 844 CG1 VAL A 57 6.724 15.344 -23.880 1.00 0.00 C ATOM 845 CG2 VAL A 57 6.416 17.687 -23.058 1.00 0.00 C ATOM 0 H VAL A 57 8.943 17.431 -22.822 1.00 0.00 H new ATOM 0 HA VAL A 57 8.457 16.487 -25.571 1.00 0.00 H new ATOM 0 HB VAL A 57 6.084 17.009 -25.052 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.722 15.108 -23.520 1.00 0.00 H new ATOM 0 HG12 VAL A 57 6.946 14.737 -24.758 1.00 0.00 H new ATOM 0 HG13 VAL A 57 7.451 15.129 -23.097 1.00 0.00 H new ATOM 0 HG21 VAL A 57 5.418 17.416 -22.714 1.00 0.00 H new ATOM 0 HG22 VAL A 57 7.132 17.532 -22.251 1.00 0.00 H new ATOM 0 HG23 VAL A 57 6.425 18.736 -23.355 1.00 0.00 H new ATOM 855 N ARG A 58 9.105 19.403 -24.711 1.00 0.00 N ATOM 856 CA ARG A 58 9.241 20.800 -25.077 1.00 0.00 C ATOM 857 C ARG A 58 10.701 21.209 -24.888 1.00 0.00 C ATOM 858 O ARG A 58 11.586 20.361 -24.964 1.00 0.00 O ATOM 859 CB ARG A 58 8.307 21.651 -24.209 1.00 0.00 C ATOM 860 CG ARG A 58 7.800 22.904 -24.899 1.00 0.00 C ATOM 861 CD ARG A 58 7.022 22.564 -26.157 1.00 0.00 C ATOM 862 NE ARG A 58 6.778 23.745 -26.973 1.00 0.00 N ATOM 863 CZ ARG A 58 5.797 23.846 -27.864 1.00 0.00 C ATOM 864 NH1 ARG A 58 4.925 22.854 -28.019 1.00 0.00 N ATOM 865 NH2 ARG A 58 5.685 24.950 -28.588 1.00 0.00 N ATOM 0 H ARG A 58 9.751 19.099 -23.983 1.00 0.00 H new ATOM 0 HA ARG A 58 8.962 20.955 -26.119 1.00 0.00 H new ATOM 0 HB2 ARG A 58 7.454 21.044 -23.907 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.833 21.937 -23.298 1.00 0.00 H new ATOM 0 HG2 ARG A 58 7.163 23.466 -24.216 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.642 23.548 -25.152 1.00 0.00 H new ATOM 0 HD2 ARG A 58 7.575 21.827 -26.739 1.00 0.00 H new ATOM 0 HD3 ARG A 58 6.071 22.107 -25.885 1.00 0.00 H new ATOM 0 HE ARG A 58 7.399 24.545 -26.853 1.00 0.00 H new ATOM 0 HH11 ARG A 58 5.007 22.010 -27.452 1.00 0.00 H new ATOM 0 HH12 ARG A 58 4.174 22.937 -28.704 1.00 0.00 H new ATOM 0 HH21 ARG A 58 6.349 25.714 -28.459 1.00 0.00 H new ATOM 0 HH22 ARG A 58 4.935 25.036 -29.274 1.00 0.00 H new ATOM 879 N ASP A 59 10.963 22.486 -24.653 1.00 0.00 N ATOM 880 CA ASP A 59 12.330 22.938 -24.422 1.00 0.00 C ATOM 881 C ASP A 59 12.678 22.871 -22.938 1.00 0.00 C ATOM 882 O ASP A 59 13.802 22.537 -22.570 1.00 0.00 O ATOM 883 CB ASP A 59 12.525 24.357 -24.955 1.00 0.00 C ATOM 884 CG ASP A 59 13.976 24.792 -24.926 1.00 0.00 C ATOM 885 OD1 ASP A 59 14.827 24.079 -25.500 1.00 0.00 O ATOM 886 OD2 ASP A 59 14.270 25.859 -24.351 1.00 0.00 O ATOM 0 H ASP A 59 10.257 23.222 -24.617 1.00 0.00 H new ATOM 0 HA ASP A 59 13.004 22.272 -24.961 1.00 0.00 H new ATOM 0 HB2 ASP A 59 12.153 24.412 -25.978 1.00 0.00 H new ATOM 0 HB3 ASP A 59 11.929 25.050 -24.361 1.00 0.00 H new ATOM 891 N ASP A 60 11.705 23.182 -22.085 1.00 0.00 N ATOM 892 CA ASP A 60 11.903 23.100 -20.636 1.00 0.00 C ATOM 893 C ASP A 60 10.826 22.256 -19.970 1.00 0.00 C ATOM 894 O ASP A 60 10.709 22.249 -18.748 1.00 0.00 O ATOM 895 CB ASP A 60 11.910 24.491 -19.996 1.00 0.00 C ATOM 896 CG ASP A 60 13.266 25.155 -20.050 1.00 0.00 C ATOM 897 OD1 ASP A 60 14.229 24.598 -19.478 1.00 0.00 O ATOM 898 OD2 ASP A 60 13.376 26.246 -20.648 1.00 0.00 O ATOM 0 H ASP A 60 10.775 23.492 -22.368 1.00 0.00 H new ATOM 0 HA ASP A 60 12.872 22.626 -20.481 1.00 0.00 H new ATOM 0 HB2 ASP A 60 11.181 25.123 -20.503 1.00 0.00 H new ATOM 0 HB3 ASP A 60 11.592 24.409 -18.957 1.00 0.00 H new ATOM 903 N VAL A 61 10.044 21.543 -20.769 1.00 0.00 N ATOM 904 CA VAL A 61 8.948 20.740 -20.238 1.00 0.00 C ATOM 905 C VAL A 61 9.244 19.255 -20.419 1.00 0.00 C ATOM 906 O VAL A 61 9.271 18.751 -21.544 1.00 0.00 O ATOM 907 CB VAL A 61 7.603 21.081 -20.920 1.00 0.00 C ATOM 908 CG1 VAL A 61 6.445 20.398 -20.206 1.00 0.00 C ATOM 909 CG2 VAL A 61 7.388 22.588 -20.978 1.00 0.00 C ATOM 0 H VAL A 61 10.146 21.503 -21.783 1.00 0.00 H new ATOM 0 HA VAL A 61 8.861 20.973 -19.177 1.00 0.00 H new ATOM 0 HB VAL A 61 7.640 20.706 -21.943 1.00 0.00 H new ATOM 0 HG11 VAL A 61 5.509 20.653 -20.704 1.00 0.00 H new ATOM 0 HG12 VAL A 61 6.588 19.318 -20.232 1.00 0.00 H new ATOM 0 HG13 VAL A 61 6.408 20.734 -19.170 1.00 0.00 H new ATOM 0 HG21 VAL A 61 6.435 22.801 -21.462 1.00 0.00 H new ATOM 0 HG22 VAL A 61 7.380 22.994 -19.966 1.00 0.00 H new ATOM 0 HG23 VAL A 61 8.195 23.049 -21.547 1.00 0.00 H new ATOM 919 N MET A 62 9.471 18.563 -19.313 1.00 0.00 N ATOM 920 CA MET A 62 9.826 17.151 -19.350 1.00 0.00 C ATOM 921 C MET A 62 8.743 16.304 -18.701 1.00 0.00 C ATOM 922 O MET A 62 8.183 16.683 -17.673 1.00 0.00 O ATOM 923 CB MET A 62 11.157 16.919 -18.632 1.00 0.00 C ATOM 924 CG MET A 62 12.343 17.600 -19.295 1.00 0.00 C ATOM 925 SD MET A 62 13.848 17.486 -18.306 1.00 0.00 S ATOM 926 CE MET A 62 13.349 18.399 -16.846 1.00 0.00 C ATOM 0 H MET A 62 9.416 18.958 -18.374 1.00 0.00 H new ATOM 0 HA MET A 62 9.924 16.855 -20.395 1.00 0.00 H new ATOM 0 HB2 MET A 62 11.072 17.277 -17.606 1.00 0.00 H new ATOM 0 HB3 MET A 62 11.348 15.847 -18.581 1.00 0.00 H new ATOM 0 HG2 MET A 62 12.519 17.148 -20.271 1.00 0.00 H new ATOM 0 HG3 MET A 62 12.105 18.649 -19.468 1.00 0.00 H new ATOM 0 HE1 MET A 62 14.166 19.045 -16.524 1.00 0.00 H new ATOM 0 HE2 MET A 62 12.475 19.008 -17.078 1.00 0.00 H new ATOM 0 HE3 MET A 62 13.102 17.700 -16.047 1.00 0.00 H new ATOM 936 N ARG A 63 8.445 15.162 -19.305 1.00 0.00 N ATOM 937 CA ARG A 63 7.482 14.235 -18.732 1.00 0.00 C ATOM 938 C ARG A 63 8.194 13.011 -18.174 1.00 0.00 C ATOM 939 O ARG A 63 9.177 12.535 -18.749 1.00 0.00 O ATOM 940 CB ARG A 63 6.436 13.791 -19.765 1.00 0.00 C ATOM 941 CG ARG A 63 7.019 13.041 -20.955 1.00 0.00 C ATOM 942 CD ARG A 63 5.985 12.146 -21.622 1.00 0.00 C ATOM 943 NE ARG A 63 5.552 11.062 -20.736 1.00 0.00 N ATOM 944 CZ ARG A 63 5.687 9.763 -21.019 1.00 0.00 C ATOM 945 NH1 ARG A 63 6.210 9.377 -22.175 1.00 0.00 N ATOM 946 NH2 ARG A 63 5.288 8.847 -20.146 1.00 0.00 N ATOM 0 H ARG A 63 8.855 14.857 -20.188 1.00 0.00 H new ATOM 0 HA ARG A 63 6.966 14.759 -17.927 1.00 0.00 H new ATOM 0 HB2 ARG A 63 5.701 13.154 -19.272 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.903 14.670 -20.128 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.404 13.756 -21.682 1.00 0.00 H new ATOM 0 HG3 ARG A 63 7.864 12.437 -20.625 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.121 12.743 -21.914 1.00 0.00 H new ATOM 0 HD3 ARG A 63 6.404 11.724 -22.535 1.00 0.00 H new ATOM 0 HE ARG A 63 5.120 11.315 -19.847 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.513 10.074 -22.856 1.00 0.00 H new ATOM 0 HH12 ARG A 63 6.310 8.383 -22.383 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.878 9.134 -19.257 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.392 7.856 -20.363 1.00 0.00 H new ATOM 960 N LEU A 64 7.704 12.523 -17.049 1.00 0.00 N ATOM 961 CA LEU A 64 8.197 11.288 -16.469 1.00 0.00 C ATOM 962 C LEU A 64 7.628 10.115 -17.259 1.00 0.00 C ATOM 963 O LEU A 64 6.409 9.937 -17.335 1.00 0.00 O ATOM 964 CB LEU A 64 7.788 11.203 -14.988 1.00 0.00 C ATOM 965 CG LEU A 64 8.613 10.255 -14.101 1.00 0.00 C ATOM 966 CD1 LEU A 64 8.382 8.796 -14.467 1.00 0.00 C ATOM 967 CD2 LEU A 64 10.092 10.598 -14.193 1.00 0.00 C ATOM 0 H LEU A 64 6.958 12.968 -16.515 1.00 0.00 H new ATOM 0 HA LEU A 64 9.285 11.258 -16.518 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.843 12.204 -14.561 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.744 10.893 -14.940 1.00 0.00 H new ATOM 0 HG LEU A 64 8.280 10.392 -13.072 1.00 0.00 H new ATOM 0 HD11 LEU A 64 8.982 8.159 -13.818 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.327 8.552 -14.341 1.00 0.00 H new ATOM 0 HD13 LEU A 64 8.671 8.631 -15.505 1.00 0.00 H new ATOM 0 HD21 LEU A 64 10.663 9.919 -13.560 1.00 0.00 H new ATOM 0 HD22 LEU A 64 10.425 10.498 -15.226 1.00 0.00 H new ATOM 0 HD23 LEU A 64 10.249 11.624 -13.859 1.00 0.00 H new ATOM 979 N GLY A 65 8.508 9.343 -17.871 1.00 0.00 N ATOM 980 CA GLY A 65 8.077 8.208 -18.650 1.00 0.00 C ATOM 981 C GLY A 65 7.900 6.970 -17.802 1.00 0.00 C ATOM 982 O GLY A 65 8.873 6.390 -17.325 1.00 0.00 O ATOM 0 H GLY A 65 9.518 9.484 -17.841 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.135 8.445 -19.145 1.00 0.00 H new ATOM 0 HA3 GLY A 65 8.808 8.008 -19.434 1.00 0.00 H new ATOM 986 N ARG A 66 6.661 6.578 -17.577 1.00 0.00 N ATOM 987 CA ARG A 66 6.391 5.363 -16.830 1.00 0.00 C ATOM 988 C ARG A 66 6.779 4.124 -17.631 1.00 0.00 C ATOM 989 O ARG A 66 7.117 3.085 -17.062 1.00 0.00 O ATOM 990 CB ARG A 66 4.921 5.292 -16.403 1.00 0.00 C ATOM 991 CG ARG A 66 3.941 5.472 -17.552 1.00 0.00 C ATOM 992 CD ARG A 66 2.499 5.321 -17.091 1.00 0.00 C ATOM 993 NE ARG A 66 1.553 5.652 -18.155 1.00 0.00 N ATOM 994 CZ ARG A 66 0.314 5.168 -18.243 1.00 0.00 C ATOM 995 NH1 ARG A 66 -0.147 4.300 -17.349 1.00 0.00 N ATOM 996 NH2 ARG A 66 -0.464 5.551 -19.242 1.00 0.00 N ATOM 0 H ARG A 66 5.831 7.077 -17.897 1.00 0.00 H new ATOM 0 HA ARG A 66 7.005 5.388 -15.930 1.00 0.00 H new ATOM 0 HB2 ARG A 66 4.736 4.329 -15.927 1.00 0.00 H new ATOM 0 HB3 ARG A 66 4.732 6.060 -15.653 1.00 0.00 H new ATOM 0 HG2 ARG A 66 4.079 6.457 -17.997 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.153 4.738 -18.330 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.329 4.297 -16.758 1.00 0.00 H new ATOM 0 HD3 ARG A 66 2.322 5.969 -16.232 1.00 0.00 H new ATOM 0 HE ARG A 66 1.862 6.298 -18.881 1.00 0.00 H new ATOM 0 HH11 ARG A 66 0.450 3.994 -16.580 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.098 3.940 -17.431 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -0.114 6.211 -19.937 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -1.413 5.186 -19.318 1.00 0.00 H new ATOM 1010 N GLU A 67 6.744 4.245 -18.953 1.00 0.00 N ATOM 1011 CA GLU A 67 7.132 3.154 -19.838 1.00 0.00 C ATOM 1012 C GLU A 67 8.610 2.828 -19.646 1.00 0.00 C ATOM 1013 O GLU A 67 9.060 1.711 -19.907 1.00 0.00 O ATOM 1014 CB GLU A 67 6.855 3.516 -21.306 1.00 0.00 C ATOM 1015 CG GLU A 67 7.570 4.774 -21.788 1.00 0.00 C ATOM 1016 CD GLU A 67 6.749 6.040 -21.620 1.00 0.00 C ATOM 1017 OE1 GLU A 67 6.326 6.346 -20.487 1.00 0.00 O ATOM 1018 OE2 GLU A 67 6.540 6.749 -22.626 1.00 0.00 O ATOM 0 H GLU A 67 6.449 5.093 -19.437 1.00 0.00 H new ATOM 0 HA GLU A 67 6.537 2.276 -19.585 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.153 2.679 -21.937 1.00 0.00 H new ATOM 0 HB3 GLU A 67 5.781 3.649 -21.439 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.506 4.882 -21.240 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.828 4.655 -22.840 1.00 0.00 H new ATOM 1025 N GLN A 68 9.347 3.820 -19.165 1.00 0.00 N ATOM 1026 CA GLN A 68 10.778 3.699 -18.944 1.00 0.00 C ATOM 1027 C GLN A 68 11.038 2.768 -17.771 1.00 0.00 C ATOM 1028 O GLN A 68 11.942 1.933 -17.804 1.00 0.00 O ATOM 1029 CB GLN A 68 11.366 5.074 -18.637 1.00 0.00 C ATOM 1030 CG GLN A 68 10.820 6.185 -19.520 1.00 0.00 C ATOM 1031 CD GLN A 68 11.423 6.201 -20.913 1.00 0.00 C ATOM 1032 OE1 GLN A 68 11.783 5.159 -21.461 1.00 0.00 O ATOM 1033 NE2 GLN A 68 11.532 7.380 -21.501 1.00 0.00 N ATOM 0 H GLN A 68 8.966 4.733 -18.917 1.00 0.00 H new ATOM 0 HA GLN A 68 11.246 3.293 -19.841 1.00 0.00 H new ATOM 0 HB2 GLN A 68 11.166 5.320 -17.594 1.00 0.00 H new ATOM 0 HB3 GLN A 68 12.449 5.030 -18.752 1.00 0.00 H new ATOM 0 HG2 GLN A 68 9.739 6.075 -19.602 1.00 0.00 H new ATOM 0 HG3 GLN A 68 11.008 7.146 -19.040 1.00 0.00 H new ATOM 0 HE21 GLN A 68 11.223 8.222 -21.016 1.00 0.00 H new ATOM 0 HE22 GLN A 68 11.925 7.447 -22.440 1.00 0.00 H new ATOM 1042 N LEU A 69 10.213 2.914 -16.739 1.00 0.00 N ATOM 1043 CA LEU A 69 10.329 2.102 -15.536 1.00 0.00 C ATOM 1044 C LEU A 69 10.064 0.638 -15.853 1.00 0.00 C ATOM 1045 O LEU A 69 10.598 -0.249 -15.200 1.00 0.00 O ATOM 1046 CB LEU A 69 9.353 2.590 -14.462 1.00 0.00 C ATOM 1047 CG LEU A 69 9.572 4.027 -13.985 1.00 0.00 C ATOM 1048 CD1 LEU A 69 8.525 4.405 -12.950 1.00 0.00 C ATOM 1049 CD2 LEU A 69 10.972 4.195 -13.411 1.00 0.00 C ATOM 0 H LEU A 69 9.452 3.593 -16.714 1.00 0.00 H new ATOM 0 HA LEU A 69 11.346 2.200 -15.156 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.338 2.504 -14.850 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.422 1.924 -13.602 1.00 0.00 H new ATOM 0 HG LEU A 69 9.471 4.693 -14.842 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.693 5.430 -12.620 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.532 4.324 -13.391 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.598 3.732 -12.096 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.107 5.224 -13.078 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.102 3.519 -12.566 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.710 3.962 -14.178 1.00 0.00 H new ATOM 1061 N GLN A 70 9.243 0.393 -16.867 1.00 0.00 N ATOM 1062 CA GLN A 70 8.933 -0.968 -17.286 1.00 0.00 C ATOM 1063 C GLN A 70 10.115 -1.596 -18.018 1.00 0.00 C ATOM 1064 O GLN A 70 10.274 -2.816 -18.031 1.00 0.00 O ATOM 1065 CB GLN A 70 7.686 -0.988 -18.164 1.00 0.00 C ATOM 1066 CG GLN A 70 6.450 -0.459 -17.454 1.00 0.00 C ATOM 1067 CD GLN A 70 5.189 -0.579 -18.285 1.00 0.00 C ATOM 1068 OE1 GLN A 70 4.277 0.238 -18.166 1.00 0.00 O ATOM 1069 NE2 GLN A 70 5.118 -1.606 -19.115 1.00 0.00 N ATOM 0 H GLN A 70 8.780 1.119 -17.414 1.00 0.00 H new ATOM 0 HA GLN A 70 8.735 -1.560 -16.393 1.00 0.00 H new ATOM 0 HB2 GLN A 70 7.868 -0.391 -19.058 1.00 0.00 H new ATOM 0 HB3 GLN A 70 7.498 -2.009 -18.496 1.00 0.00 H new ATOM 0 HG2 GLN A 70 6.315 -1.003 -16.519 1.00 0.00 H new ATOM 0 HG3 GLN A 70 6.608 0.588 -17.194 1.00 0.00 H new ATOM 0 HE21 GLN A 70 5.897 -2.261 -19.184 1.00 0.00 H new ATOM 0 HE22 GLN A 70 4.284 -1.743 -19.687 1.00 0.00 H new ATOM 1078 N ILE A 71 10.948 -0.760 -18.623 1.00 0.00 N ATOM 1079 CA ILE A 71 12.174 -1.234 -19.251 1.00 0.00 C ATOM 1080 C ILE A 71 13.188 -1.590 -18.168 1.00 0.00 C ATOM 1081 O ILE A 71 13.938 -2.559 -18.282 1.00 0.00 O ATOM 1082 CB ILE A 71 12.776 -0.168 -20.197 1.00 0.00 C ATOM 1083 CG1 ILE A 71 11.745 0.242 -21.254 1.00 0.00 C ATOM 1084 CG2 ILE A 71 14.043 -0.694 -20.864 1.00 0.00 C ATOM 1085 CD1 ILE A 71 12.212 1.360 -22.163 1.00 0.00 C ATOM 0 H ILE A 71 10.798 0.247 -18.692 1.00 0.00 H new ATOM 0 HA ILE A 71 11.935 -2.114 -19.848 1.00 0.00 H new ATOM 0 HB ILE A 71 13.041 0.709 -19.607 1.00 0.00 H new ATOM 0 HG12 ILE A 71 11.496 -0.628 -21.862 1.00 0.00 H new ATOM 0 HG13 ILE A 71 10.829 0.553 -20.753 1.00 0.00 H new ATOM 0 HG21 ILE A 71 14.451 0.071 -21.525 1.00 0.00 H new ATOM 0 HG22 ILE A 71 14.780 -0.943 -20.100 1.00 0.00 H new ATOM 0 HG23 ILE A 71 13.805 -1.586 -21.444 1.00 0.00 H new ATOM 0 HD11 ILE A 71 11.429 1.594 -22.884 1.00 0.00 H new ATOM 0 HD12 ILE A 71 12.433 2.245 -21.567 1.00 0.00 H new ATOM 0 HD13 ILE A 71 13.111 1.046 -22.693 1.00 0.00 H new ATOM 1097 N LEU A 72 13.176 -0.798 -17.106 1.00 0.00 N ATOM 1098 CA LEU A 72 14.040 -1.016 -15.952 1.00 0.00 C ATOM 1099 C LEU A 72 13.526 -2.179 -15.105 1.00 0.00 C ATOM 1100 O LEU A 72 14.287 -2.831 -14.397 1.00 0.00 O ATOM 1101 CB LEU A 72 14.087 0.256 -15.111 1.00 0.00 C ATOM 1102 CG LEU A 72 14.569 1.506 -15.854 1.00 0.00 C ATOM 1103 CD1 LEU A 72 14.470 2.729 -14.958 1.00 0.00 C ATOM 1104 CD2 LEU A 72 15.998 1.321 -16.345 1.00 0.00 C ATOM 0 H LEU A 72 12.567 0.015 -17.019 1.00 0.00 H new ATOM 0 HA LEU A 72 15.042 -1.264 -16.302 1.00 0.00 H new ATOM 0 HB2 LEU A 72 13.090 0.449 -14.715 1.00 0.00 H new ATOM 0 HB3 LEU A 72 14.742 0.085 -14.256 1.00 0.00 H new ATOM 0 HG LEU A 72 13.925 1.659 -16.720 1.00 0.00 H new ATOM 0 HD11 LEU A 72 14.817 3.608 -15.502 1.00 0.00 H new ATOM 0 HD12 LEU A 72 13.433 2.875 -14.655 1.00 0.00 H new ATOM 0 HD13 LEU A 72 15.089 2.583 -14.073 1.00 0.00 H new ATOM 0 HD21 LEU A 72 16.322 2.220 -16.870 1.00 0.00 H new ATOM 0 HD22 LEU A 72 16.655 1.142 -15.494 1.00 0.00 H new ATOM 0 HD23 LEU A 72 16.042 0.469 -17.023 1.00 0.00 H new ATOM 1116 N LEU A 73 12.223 -2.413 -15.203 1.00 0.00 N ATOM 1117 CA LEU A 73 11.520 -3.457 -14.456 1.00 0.00 C ATOM 1118 C LEU A 73 12.150 -4.838 -14.660 1.00 0.00 C ATOM 1119 O LEU A 73 12.040 -5.715 -13.799 1.00 0.00 O ATOM 1120 CB LEU A 73 10.051 -3.452 -14.897 1.00 0.00 C ATOM 1121 CG LEU A 73 9.179 -4.614 -14.417 1.00 0.00 C ATOM 1122 CD1 LEU A 73 9.045 -4.606 -12.901 1.00 0.00 C ATOM 1123 CD2 LEU A 73 7.809 -4.541 -15.078 1.00 0.00 C ATOM 0 H LEU A 73 11.611 -1.874 -15.815 1.00 0.00 H new ATOM 0 HA LEU A 73 11.596 -3.245 -13.390 1.00 0.00 H new ATOM 0 HB2 LEU A 73 9.597 -2.523 -14.553 1.00 0.00 H new ATOM 0 HB3 LEU A 73 10.024 -3.436 -15.987 1.00 0.00 H new ATOM 0 HG LEU A 73 9.660 -5.549 -14.703 1.00 0.00 H new ATOM 0 HD11 LEU A 73 8.420 -5.442 -12.587 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.032 -4.700 -12.448 1.00 0.00 H new ATOM 0 HD13 LEU A 73 8.587 -3.670 -12.581 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.193 -5.371 -14.732 1.00 0.00 H new ATOM 0 HD22 LEU A 73 7.328 -3.599 -14.816 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.924 -4.601 -16.160 1.00 0.00 H new ATOM 1135 N GLU A 74 12.814 -5.025 -15.794 1.00 0.00 N ATOM 1136 CA GLU A 74 13.480 -6.286 -16.096 1.00 0.00 C ATOM 1137 C GLU A 74 14.644 -6.538 -15.137 1.00 0.00 C ATOM 1138 O GLU A 74 15.110 -7.670 -14.992 1.00 0.00 O ATOM 1139 CB GLU A 74 13.976 -6.282 -17.542 1.00 0.00 C ATOM 1140 CG GLU A 74 12.856 -6.143 -18.560 1.00 0.00 C ATOM 1141 CD GLU A 74 11.869 -7.291 -18.496 1.00 0.00 C ATOM 1142 OE1 GLU A 74 10.938 -7.240 -17.667 1.00 0.00 O ATOM 1143 OE2 GLU A 74 12.019 -8.252 -19.277 1.00 0.00 O ATOM 0 H GLU A 74 12.906 -4.317 -16.522 1.00 0.00 H new ATOM 0 HA GLU A 74 12.758 -7.093 -15.968 1.00 0.00 H new ATOM 0 HB2 GLU A 74 14.682 -5.462 -17.675 1.00 0.00 H new ATOM 0 HB3 GLU A 74 14.521 -7.206 -17.735 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.329 -5.204 -18.389 1.00 0.00 H new ATOM 0 HG3 GLU A 74 13.284 -6.091 -19.561 1.00 0.00 H new ATOM 1150 N GLN A 75 15.108 -5.478 -14.489 1.00 0.00 N ATOM 1151 CA GLN A 75 16.168 -5.581 -13.499 1.00 0.00 C ATOM 1152 C GLN A 75 15.572 -5.573 -12.097 1.00 0.00 C ATOM 1153 O GLN A 75 15.042 -4.560 -11.641 1.00 0.00 O ATOM 1154 CB GLN A 75 17.174 -4.432 -13.650 1.00 0.00 C ATOM 1155 CG GLN A 75 18.210 -4.636 -14.750 1.00 0.00 C ATOM 1156 CD GLN A 75 17.608 -4.775 -16.135 1.00 0.00 C ATOM 1157 OE1 GLN A 75 17.310 -5.881 -16.588 1.00 0.00 O ATOM 1158 NE2 GLN A 75 17.417 -3.657 -16.816 1.00 0.00 N ATOM 0 H GLN A 75 14.762 -4.529 -14.634 1.00 0.00 H new ATOM 0 HA GLN A 75 16.697 -6.520 -13.660 1.00 0.00 H new ATOM 0 HB2 GLN A 75 16.626 -3.511 -13.851 1.00 0.00 H new ATOM 0 HB3 GLN A 75 17.693 -4.294 -12.701 1.00 0.00 H new ATOM 0 HG2 GLN A 75 18.901 -3.793 -14.747 1.00 0.00 H new ATOM 0 HG3 GLN A 75 18.794 -5.529 -14.526 1.00 0.00 H new ATOM 0 HE21 GLN A 75 17.677 -2.760 -16.407 1.00 0.00 H new ATOM 0 HE22 GLN A 75 17.010 -3.692 -17.751 1.00 0.00 H new ATOM 1167 N ASN A 76 15.662 -6.705 -11.417 1.00 0.00 N ATOM 1168 CA ASN A 76 15.066 -6.853 -10.091 1.00 0.00 C ATOM 1169 C ASN A 76 15.996 -6.330 -9.005 1.00 0.00 C ATOM 1170 O ASN A 76 15.686 -6.409 -7.816 1.00 0.00 O ATOM 1171 CB ASN A 76 14.716 -8.318 -9.816 1.00 0.00 C ATOM 1172 CG ASN A 76 13.681 -8.867 -10.781 1.00 0.00 C ATOM 1173 OD1 ASN A 76 13.688 -10.056 -11.102 1.00 0.00 O ATOM 1174 ND2 ASN A 76 12.779 -8.012 -11.245 1.00 0.00 N ATOM 0 H ASN A 76 16.142 -7.538 -11.759 1.00 0.00 H new ATOM 0 HA ASN A 76 14.151 -6.260 -10.074 1.00 0.00 H new ATOM 0 HB2 ASN A 76 15.622 -8.921 -9.880 1.00 0.00 H new ATOM 0 HB3 ASN A 76 14.342 -8.412 -8.797 1.00 0.00 H new ATOM 0 HD21 ASN A 76 12.058 -8.332 -11.891 1.00 0.00 H new ATOM 0 HD22 ASN A 76 12.807 -7.034 -10.955 1.00 0.00 H new ATOM 1181 N ILE A 77 17.138 -5.802 -9.414 1.00 0.00 N ATOM 1182 CA ILE A 77 18.071 -5.199 -8.479 1.00 0.00 C ATOM 1183 C ILE A 77 17.775 -3.711 -8.309 1.00 0.00 C ATOM 1184 O ILE A 77 18.490 -2.852 -8.815 1.00 0.00 O ATOM 1185 CB ILE A 77 19.546 -5.435 -8.890 1.00 0.00 C ATOM 1186 CG1 ILE A 77 19.717 -5.521 -10.418 1.00 0.00 C ATOM 1187 CG2 ILE A 77 20.068 -6.701 -8.234 1.00 0.00 C ATOM 1188 CD1 ILE A 77 19.701 -4.185 -11.132 1.00 0.00 C ATOM 0 H ILE A 77 17.441 -5.779 -10.388 1.00 0.00 H new ATOM 0 HA ILE A 77 17.931 -5.690 -7.516 1.00 0.00 H new ATOM 0 HB ILE A 77 20.124 -4.577 -8.547 1.00 0.00 H new ATOM 0 HG12 ILE A 77 20.659 -6.024 -10.637 1.00 0.00 H new ATOM 0 HG13 ILE A 77 18.921 -6.145 -10.825 1.00 0.00 H new ATOM 0 HG21 ILE A 77 21.106 -6.861 -8.527 1.00 0.00 H new ATOM 0 HG22 ILE A 77 20.008 -6.600 -7.150 1.00 0.00 H new ATOM 0 HG23 ILE A 77 19.465 -7.551 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 77 19.828 -4.343 -12.203 1.00 0.00 H new ATOM 0 HD12 ILE A 77 18.749 -3.686 -10.949 1.00 0.00 H new ATOM 0 HD13 ILE A 77 20.514 -3.563 -10.758 1.00 0.00 H new ATOM 1200 N ASN A 78 16.705 -3.422 -7.580 1.00 0.00 N ATOM 1201 CA ASN A 78 16.192 -2.061 -7.458 1.00 0.00 C ATOM 1202 C ASN A 78 17.186 -1.128 -6.772 1.00 0.00 C ATOM 1203 O ASN A 78 17.223 0.066 -7.069 1.00 0.00 O ATOM 1204 CB ASN A 78 14.863 -2.053 -6.698 1.00 0.00 C ATOM 1205 CG ASN A 78 13.809 -2.914 -7.367 1.00 0.00 C ATOM 1206 OD1 ASN A 78 13.653 -4.090 -7.041 1.00 0.00 O ATOM 1207 ND2 ASN A 78 13.087 -2.339 -8.316 1.00 0.00 N ATOM 0 H ASN A 78 16.171 -4.118 -7.060 1.00 0.00 H new ATOM 0 HA ASN A 78 16.034 -1.690 -8.471 1.00 0.00 H new ATOM 0 HB2 ASN A 78 15.027 -2.409 -5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 78 14.497 -1.029 -6.622 1.00 0.00 H new ATOM 0 HD21 ASN A 78 12.370 -2.874 -8.806 1.00 0.00 H new ATOM 0 HD22 ASN A 78 13.247 -1.361 -8.557 1.00 0.00 H new ATOM 1214 N GLU A 79 17.997 -1.663 -5.868 1.00 0.00 N ATOM 1215 CA GLU A 79 18.963 -0.842 -5.149 1.00 0.00 C ATOM 1216 C GLU A 79 20.197 -0.607 -6.012 1.00 0.00 C ATOM 1217 O GLU A 79 20.787 0.471 -5.989 1.00 0.00 O ATOM 1218 CB GLU A 79 19.358 -1.490 -3.821 1.00 0.00 C ATOM 1219 CG GLU A 79 20.179 -0.573 -2.929 1.00 0.00 C ATOM 1220 CD GLU A 79 20.578 -1.222 -1.623 1.00 0.00 C ATOM 1221 OE1 GLU A 79 19.759 -1.235 -0.682 1.00 0.00 O ATOM 1222 OE2 GLU A 79 21.719 -1.719 -1.528 1.00 0.00 O ATOM 0 H GLU A 79 18.006 -2.652 -5.617 1.00 0.00 H new ATOM 0 HA GLU A 79 18.496 0.118 -4.928 1.00 0.00 H new ATOM 0 HB2 GLU A 79 18.456 -1.792 -3.289 1.00 0.00 H new ATOM 0 HB3 GLU A 79 19.928 -2.397 -4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 79 21.077 -0.263 -3.464 1.00 0.00 H new ATOM 0 HG3 GLU A 79 19.606 0.330 -2.719 1.00 0.00 H new ATOM 1229 N ARG A 80 20.570 -1.618 -6.785 1.00 0.00 N ATOM 1230 CA ARG A 80 21.688 -1.496 -7.713 1.00 0.00 C ATOM 1231 C ARG A 80 21.310 -0.557 -8.845 1.00 0.00 C ATOM 1232 O ARG A 80 22.100 0.274 -9.284 1.00 0.00 O ATOM 1233 CB ARG A 80 22.052 -2.861 -8.290 1.00 0.00 C ATOM 1234 CG ARG A 80 23.353 -2.860 -9.075 1.00 0.00 C ATOM 1235 CD ARG A 80 23.673 -4.236 -9.634 1.00 0.00 C ATOM 1236 NE ARG A 80 24.897 -4.226 -10.430 1.00 0.00 N ATOM 1237 CZ ARG A 80 25.292 -5.230 -11.213 1.00 0.00 C ATOM 1238 NH1 ARG A 80 24.608 -6.368 -11.240 1.00 0.00 N ATOM 1239 NH2 ARG A 80 26.393 -5.102 -11.945 1.00 0.00 N ATOM 0 H ARG A 80 20.116 -2.531 -6.789 1.00 0.00 H new ATOM 0 HA ARG A 80 22.548 -1.098 -7.174 1.00 0.00 H new ATOM 0 HB2 ARG A 80 22.129 -3.582 -7.476 1.00 0.00 H new ATOM 0 HB3 ARG A 80 21.245 -3.199 -8.940 1.00 0.00 H new ATOM 0 HG2 ARG A 80 23.284 -2.142 -9.892 1.00 0.00 H new ATOM 0 HG3 ARG A 80 24.167 -2.531 -8.429 1.00 0.00 H new ATOM 0 HD2 ARG A 80 23.778 -4.946 -8.814 1.00 0.00 H new ATOM 0 HD3 ARG A 80 22.842 -4.581 -10.249 1.00 0.00 H new ATOM 0 HE ARG A 80 25.489 -3.396 -10.384 1.00 0.00 H new ATOM 0 HH11 ARG A 80 23.776 -6.477 -10.660 1.00 0.00 H new ATOM 0 HH12 ARG A 80 24.914 -7.133 -11.841 1.00 0.00 H new ATOM 0 HH21 ARG A 80 26.933 -4.238 -11.907 1.00 0.00 H new ATOM 0 HH22 ARG A 80 26.698 -5.868 -12.545 1.00 0.00 H new ATOM 1253 N LEU A 81 20.085 -0.715 -9.311 1.00 0.00 N ATOM 1254 CA LEU A 81 19.537 0.127 -10.367 1.00 0.00 C ATOM 1255 C LEU A 81 19.237 1.527 -9.828 1.00 0.00 C ATOM 1256 O LEU A 81 19.115 2.483 -10.590 1.00 0.00 O ATOM 1257 CB LEU A 81 18.271 -0.523 -10.934 1.00 0.00 C ATOM 1258 CG LEU A 81 17.751 0.061 -12.248 1.00 0.00 C ATOM 1259 CD1 LEU A 81 18.801 -0.054 -13.341 1.00 0.00 C ATOM 1260 CD2 LEU A 81 16.473 -0.647 -12.664 1.00 0.00 C ATOM 0 H LEU A 81 19.440 -1.428 -8.971 1.00 0.00 H new ATOM 0 HA LEU A 81 20.270 0.225 -11.168 1.00 0.00 H new ATOM 0 HB2 LEU A 81 18.467 -1.585 -11.083 1.00 0.00 H new ATOM 0 HB3 LEU A 81 17.481 -0.446 -10.187 1.00 0.00 H new ATOM 0 HG LEU A 81 17.534 1.118 -12.095 1.00 0.00 H new ATOM 0 HD11 LEU A 81 18.410 0.368 -14.267 1.00 0.00 H new ATOM 0 HD12 LEU A 81 19.697 0.491 -13.044 1.00 0.00 H new ATOM 0 HD13 LEU A 81 19.050 -1.104 -13.497 1.00 0.00 H new ATOM 0 HD21 LEU A 81 16.111 -0.224 -13.601 1.00 0.00 H new ATOM 0 HD22 LEU A 81 16.673 -1.710 -12.800 1.00 0.00 H new ATOM 0 HD23 LEU A 81 15.716 -0.516 -11.890 1.00 0.00 H new ATOM 1272 N ASN A 82 19.119 1.622 -8.501 1.00 0.00 N ATOM 1273 CA ASN A 82 18.951 2.900 -7.799 1.00 0.00 C ATOM 1274 C ASN A 82 17.601 3.551 -8.074 1.00 0.00 C ATOM 1275 O ASN A 82 17.465 4.768 -7.975 1.00 0.00 O ATOM 1276 CB ASN A 82 20.082 3.873 -8.145 1.00 0.00 C ATOM 1277 CG ASN A 82 21.345 3.591 -7.359 1.00 0.00 C ATOM 1278 OD1 ASN A 82 21.548 4.134 -6.273 1.00 0.00 O ATOM 1279 ND2 ASN A 82 22.202 2.743 -7.894 1.00 0.00 N ATOM 0 H ASN A 82 19.137 0.813 -7.880 1.00 0.00 H new ATOM 0 HA ASN A 82 18.991 2.669 -6.734 1.00 0.00 H new ATOM 0 HB2 ASN A 82 20.299 3.810 -9.211 1.00 0.00 H new ATOM 0 HB3 ASN A 82 19.754 4.893 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 82 23.068 2.517 -7.405 1.00 0.00 H new ATOM 0 HD22 ASN A 82 21.998 2.313 -8.796 1.00 0.00 H new ATOM 1286 N ILE A 83 16.599 2.742 -8.385 1.00 0.00 N ATOM 1287 CA ILE A 83 15.247 3.253 -8.565 1.00 0.00 C ATOM 1288 C ILE A 83 14.606 3.520 -7.205 1.00 0.00 C ATOM 1289 O ILE A 83 14.566 2.643 -6.339 1.00 0.00 O ATOM 1290 CB ILE A 83 14.378 2.292 -9.424 1.00 0.00 C ATOM 1291 CG1 ILE A 83 14.463 2.681 -10.906 1.00 0.00 C ATOM 1292 CG2 ILE A 83 12.923 2.290 -8.972 1.00 0.00 C ATOM 1293 CD1 ILE A 83 15.874 2.753 -11.449 1.00 0.00 C ATOM 0 H ILE A 83 16.695 1.735 -8.517 1.00 0.00 H new ATOM 0 HA ILE A 83 15.307 4.194 -9.112 1.00 0.00 H new ATOM 0 HB ILE A 83 14.772 1.285 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE A 83 13.896 1.958 -11.493 1.00 0.00 H new ATOM 0 HG13 ILE A 83 13.983 3.650 -11.044 1.00 0.00 H new ATOM 0 HG21 ILE A 83 12.349 1.606 -9.597 1.00 0.00 H new ATOM 0 HG22 ILE A 83 12.865 1.967 -7.933 1.00 0.00 H new ATOM 0 HG23 ILE A 83 12.513 3.296 -9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 83 15.845 3.034 -12.502 1.00 0.00 H new ATOM 0 HD12 ILE A 83 16.441 3.497 -10.890 1.00 0.00 H new ATOM 0 HD13 ILE A 83 16.353 1.780 -11.346 1.00 0.00 H new ATOM 1305 N GLY A 84 14.131 4.747 -7.024 1.00 0.00 N ATOM 1306 CA GLY A 84 13.609 5.178 -5.740 1.00 0.00 C ATOM 1307 C GLY A 84 12.333 4.466 -5.328 1.00 0.00 C ATOM 1308 O GLY A 84 11.664 3.835 -6.146 1.00 0.00 O ATOM 0 H GLY A 84 14.098 5.459 -7.754 1.00 0.00 H new ATOM 0 HA2 GLY A 84 14.369 5.014 -4.976 1.00 0.00 H new ATOM 0 HA3 GLY A 84 13.420 6.251 -5.777 1.00 0.00 H new ATOM 1312 N GLU A 85 11.995 4.589 -4.051 1.00 0.00 N ATOM 1313 CA GLU A 85 10.804 3.951 -3.491 1.00 0.00 C ATOM 1314 C GLU A 85 9.519 4.482 -4.145 1.00 0.00 C ATOM 1315 O GLU A 85 8.700 3.692 -4.612 1.00 0.00 O ATOM 1316 CB GLU A 85 10.759 4.147 -1.971 1.00 0.00 C ATOM 1317 CG GLU A 85 9.594 3.446 -1.291 1.00 0.00 C ATOM 1318 CD GLU A 85 9.641 1.942 -1.458 1.00 0.00 C ATOM 1319 OE1 GLU A 85 10.567 1.309 -0.905 1.00 0.00 O ATOM 1320 OE2 GLU A 85 8.757 1.385 -2.139 1.00 0.00 O ATOM 0 H GLU A 85 12.534 5.130 -3.375 1.00 0.00 H new ATOM 0 HA GLU A 85 10.864 2.884 -3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 85 11.691 3.781 -1.540 1.00 0.00 H new ATOM 0 HB3 GLU A 85 10.704 5.214 -1.754 1.00 0.00 H new ATOM 0 HG2 GLU A 85 9.598 3.690 -0.229 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.658 3.824 -1.701 1.00 0.00 H new ATOM 1327 N PRO A 86 9.311 5.820 -4.204 1.00 0.00 N ATOM 1328 CA PRO A 86 8.138 6.395 -4.875 1.00 0.00 C ATOM 1329 C PRO A 86 8.069 5.999 -6.350 1.00 0.00 C ATOM 1330 O PRO A 86 6.996 5.972 -6.949 1.00 0.00 O ATOM 1331 CB PRO A 86 8.329 7.910 -4.732 1.00 0.00 C ATOM 1332 CG PRO A 86 9.762 8.097 -4.375 1.00 0.00 C ATOM 1333 CD PRO A 86 10.159 6.871 -3.611 1.00 0.00 C ATOM 0 HA PRO A 86 7.207 6.037 -4.435 1.00 0.00 H new ATOM 0 HB2 PRO A 86 8.085 8.426 -5.661 1.00 0.00 H new ATOM 0 HB3 PRO A 86 7.676 8.317 -3.960 1.00 0.00 H new ATOM 0 HG2 PRO A 86 10.375 8.216 -5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 86 9.900 8.995 -3.772 1.00 0.00 H new ATOM 0 HD2 PRO A 86 11.219 6.648 -3.729 1.00 0.00 H new ATOM 0 HD3 PRO A 86 9.974 6.984 -2.543 1.00 0.00 H new ATOM 1341 N LEU A 87 9.223 5.673 -6.921 1.00 0.00 N ATOM 1342 CA LEU A 87 9.296 5.218 -8.304 1.00 0.00 C ATOM 1343 C LEU A 87 8.674 3.832 -8.424 1.00 0.00 C ATOM 1344 O LEU A 87 8.016 3.514 -9.412 1.00 0.00 O ATOM 1345 CB LEU A 87 10.752 5.184 -8.791 1.00 0.00 C ATOM 1346 CG LEU A 87 11.398 6.538 -9.119 1.00 0.00 C ATOM 1347 CD1 LEU A 87 10.683 7.205 -10.285 1.00 0.00 C ATOM 1348 CD2 LEU A 87 11.408 7.460 -7.909 1.00 0.00 C ATOM 0 H LEU A 87 10.124 5.716 -6.445 1.00 0.00 H new ATOM 0 HA LEU A 87 8.742 5.918 -8.929 1.00 0.00 H new ATOM 0 HB2 LEU A 87 11.356 4.694 -8.027 1.00 0.00 H new ATOM 0 HB3 LEU A 87 10.799 4.559 -9.683 1.00 0.00 H new ATOM 0 HG LEU A 87 12.433 6.348 -9.403 1.00 0.00 H new ATOM 0 HD11 LEU A 87 11.156 8.163 -10.502 1.00 0.00 H new ATOM 0 HD12 LEU A 87 10.744 6.563 -11.164 1.00 0.00 H new ATOM 0 HD13 LEU A 87 9.637 7.367 -10.026 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.872 8.409 -8.178 1.00 0.00 H new ATOM 0 HD22 LEU A 87 10.385 7.638 -7.579 1.00 0.00 H new ATOM 0 HD23 LEU A 87 11.974 6.995 -7.102 1.00 0.00 H new ATOM 1360 N LEU A 88 8.882 3.020 -7.395 1.00 0.00 N ATOM 1361 CA LEU A 88 8.285 1.695 -7.326 1.00 0.00 C ATOM 1362 C LEU A 88 6.776 1.813 -7.165 1.00 0.00 C ATOM 1363 O LEU A 88 6.017 1.040 -7.748 1.00 0.00 O ATOM 1364 CB LEU A 88 8.878 0.906 -6.157 1.00 0.00 C ATOM 1365 CG LEU A 88 10.380 0.645 -6.249 1.00 0.00 C ATOM 1366 CD1 LEU A 88 10.890 0.007 -4.968 1.00 0.00 C ATOM 1367 CD2 LEU A 88 10.689 -0.241 -7.444 1.00 0.00 C ATOM 0 H LEU A 88 9.464 3.260 -6.592 1.00 0.00 H new ATOM 0 HA LEU A 88 8.503 1.163 -8.252 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.675 1.447 -5.233 1.00 0.00 H new ATOM 0 HB3 LEU A 88 8.362 -0.051 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 88 10.890 1.599 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 88 11.962 -0.172 -5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 88 10.698 0.674 -4.128 1.00 0.00 H new ATOM 0 HD13 LEU A 88 10.376 -0.940 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 88 11.763 -0.419 -7.497 1.00 0.00 H new ATOM 0 HD22 LEU A 88 10.169 -1.193 -7.336 1.00 0.00 H new ATOM 0 HD23 LEU A 88 10.357 0.252 -8.358 1.00 0.00 H new ATOM 1379 N VAL A 89 6.352 2.795 -6.376 1.00 0.00 N ATOM 1380 CA VAL A 89 4.933 3.078 -6.191 1.00 0.00 C ATOM 1381 C VAL A 89 4.315 3.516 -7.513 1.00 0.00 C ATOM 1382 O VAL A 89 3.216 3.093 -7.874 1.00 0.00 O ATOM 1383 CB VAL A 89 4.712 4.185 -5.137 1.00 0.00 C ATOM 1384 CG1 VAL A 89 3.229 4.388 -4.868 1.00 0.00 C ATOM 1385 CG2 VAL A 89 5.452 3.856 -3.850 1.00 0.00 C ATOM 0 H VAL A 89 6.974 3.411 -5.852 1.00 0.00 H new ATOM 0 HA VAL A 89 4.455 2.164 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 89 5.114 5.117 -5.534 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.098 5.172 -4.122 1.00 0.00 H new ATOM 0 HG12 VAL A 89 2.728 4.678 -5.792 1.00 0.00 H new ATOM 0 HG13 VAL A 89 2.796 3.459 -4.497 1.00 0.00 H new ATOM 0 HG21 VAL A 89 5.283 4.648 -3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 89 5.085 2.911 -3.451 1.00 0.00 H new ATOM 0 HG23 VAL A 89 6.519 3.773 -4.055 1.00 0.00 H new ATOM 1395 N TYR A 90 5.053 4.348 -8.239 1.00 0.00 N ATOM 1396 CA TYR A 90 4.626 4.829 -9.545 1.00 0.00 C ATOM 1397 C TYR A 90 4.497 3.662 -10.521 1.00 0.00 C ATOM 1398 O TYR A 90 3.619 3.649 -11.385 1.00 0.00 O ATOM 1399 CB TYR A 90 5.634 5.853 -10.074 1.00 0.00 C ATOM 1400 CG TYR A 90 5.135 6.659 -11.251 1.00 0.00 C ATOM 1401 CD1 TYR A 90 4.096 7.569 -11.102 1.00 0.00 C ATOM 1402 CD2 TYR A 90 5.703 6.515 -12.509 1.00 0.00 C ATOM 1403 CE1 TYR A 90 3.638 8.310 -12.172 1.00 0.00 C ATOM 1404 CE2 TYR A 90 5.251 7.254 -13.585 1.00 0.00 C ATOM 1405 CZ TYR A 90 4.220 8.150 -13.412 1.00 0.00 C ATOM 1406 OH TYR A 90 3.764 8.882 -14.483 1.00 0.00 O ATOM 0 H TYR A 90 5.960 4.706 -7.940 1.00 0.00 H new ATOM 0 HA TYR A 90 3.652 5.308 -9.447 1.00 0.00 H new ATOM 0 HB2 TYR A 90 5.900 6.535 -9.267 1.00 0.00 H new ATOM 0 HB3 TYR A 90 6.546 5.332 -10.365 1.00 0.00 H new ATOM 0 HD1 TYR A 90 3.639 7.699 -10.132 1.00 0.00 H new ATOM 0 HD2 TYR A 90 6.512 5.813 -12.649 1.00 0.00 H new ATOM 0 HE1 TYR A 90 2.828 9.012 -12.039 1.00 0.00 H new ATOM 0 HE2 TYR A 90 5.704 7.130 -14.557 1.00 0.00 H new ATOM 0 HH TYR A 90 2.789 8.966 -14.431 1.00 0.00 H new ATOM 1416 N LEU A 91 5.383 2.683 -10.372 1.00 0.00 N ATOM 1417 CA LEU A 91 5.364 1.492 -11.208 1.00 0.00 C ATOM 1418 C LEU A 91 4.196 0.582 -10.829 1.00 0.00 C ATOM 1419 O LEU A 91 3.584 -0.045 -11.694 1.00 0.00 O ATOM 1420 CB LEU A 91 6.691 0.736 -11.084 1.00 0.00 C ATOM 1421 CG LEU A 91 6.831 -0.493 -11.986 1.00 0.00 C ATOM 1422 CD1 LEU A 91 6.750 -0.096 -13.452 1.00 0.00 C ATOM 1423 CD2 LEU A 91 8.140 -1.213 -11.700 1.00 0.00 C ATOM 0 H LEU A 91 6.127 2.693 -9.675 1.00 0.00 H new ATOM 0 HA LEU A 91 5.232 1.802 -12.245 1.00 0.00 H new ATOM 0 HB2 LEU A 91 7.505 1.425 -11.308 1.00 0.00 H new ATOM 0 HB3 LEU A 91 6.816 0.422 -10.048 1.00 0.00 H new ATOM 0 HG LEU A 91 6.007 -1.173 -11.771 1.00 0.00 H new ATOM 0 HD11 LEU A 91 6.852 -0.984 -14.076 1.00 0.00 H new ATOM 0 HD12 LEU A 91 5.788 0.377 -13.648 1.00 0.00 H new ATOM 0 HD13 LEU A 91 7.552 0.604 -13.684 1.00 0.00 H new ATOM 0 HD21 LEU A 91 8.225 -2.085 -12.349 1.00 0.00 H new ATOM 0 HD22 LEU A 91 8.975 -0.538 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 91 8.159 -1.533 -10.658 1.00 0.00 H new ATOM 1435 N ARG A 92 3.897 0.501 -9.535 1.00 0.00 N ATOM 1436 CA ARG A 92 2.763 -0.277 -9.056 1.00 0.00 C ATOM 1437 C ARG A 92 1.447 0.273 -9.590 1.00 0.00 C ATOM 1438 O ARG A 92 0.746 -0.401 -10.347 1.00 0.00 O ATOM 1439 CB ARG A 92 2.736 -0.305 -7.527 1.00 0.00 C ATOM 1440 CG ARG A 92 3.299 -1.585 -6.939 1.00 0.00 C ATOM 1441 CD ARG A 92 4.767 -1.772 -7.275 1.00 0.00 C ATOM 1442 NE ARG A 92 5.206 -3.147 -7.048 1.00 0.00 N ATOM 1443 CZ ARG A 92 6.388 -3.481 -6.533 1.00 0.00 C ATOM 1444 NH1 ARG A 92 7.195 -2.544 -6.045 1.00 0.00 N ATOM 1445 NH2 ARG A 92 6.738 -4.758 -6.458 1.00 0.00 N ATOM 0 H ARG A 92 4.428 0.967 -8.799 1.00 0.00 H new ATOM 0 HA ARG A 92 2.883 -1.295 -9.427 1.00 0.00 H new ATOM 0 HB2 ARG A 92 3.305 0.543 -7.145 1.00 0.00 H new ATOM 0 HB3 ARG A 92 1.708 -0.179 -7.187 1.00 0.00 H new ATOM 0 HG2 ARG A 92 3.175 -1.571 -5.856 1.00 0.00 H new ATOM 0 HG3 ARG A 92 2.731 -2.436 -7.314 1.00 0.00 H new ATOM 0 HD2 ARG A 92 4.938 -1.504 -8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 92 5.368 -1.094 -6.669 1.00 0.00 H new ATOM 0 HE ARG A 92 4.566 -3.900 -7.300 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.910 -1.565 -6.064 1.00 0.00 H new ATOM 0 HH12 ARG A 92 8.099 -2.804 -5.651 1.00 0.00 H new ATOM 0 HH21 ARG A 92 6.103 -5.482 -6.794 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.643 -5.017 -6.064 1.00 0.00 H new ATOM 1459 N ARG A 93 1.120 1.496 -9.207 1.00 0.00 N ATOM 1460 CA ARG A 93 -0.131 2.107 -9.615 1.00 0.00 C ATOM 1461 C ARG A 93 0.044 3.607 -9.757 1.00 0.00 C ATOM 1462 O ARG A 93 -0.009 4.343 -8.775 1.00 0.00 O ATOM 1463 CB ARG A 93 -1.227 1.809 -8.593 1.00 0.00 C ATOM 1464 CG ARG A 93 -2.615 2.227 -9.045 1.00 0.00 C ATOM 1465 CD ARG A 93 -3.641 2.020 -7.944 1.00 0.00 C ATOM 1466 NE ARG A 93 -3.616 0.657 -7.411 1.00 0.00 N ATOM 1467 CZ ARG A 93 -4.704 -0.087 -7.219 1.00 0.00 C ATOM 1468 NH1 ARG A 93 -5.891 0.356 -7.613 1.00 0.00 N ATOM 1469 NH2 ARG A 93 -4.605 -1.283 -6.655 1.00 0.00 N ATOM 0 H ARG A 93 1.705 2.085 -8.614 1.00 0.00 H new ATOM 0 HA ARG A 93 -0.424 1.688 -10.578 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.231 0.740 -8.379 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -0.990 2.320 -7.660 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -2.603 3.276 -9.341 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.902 1.651 -9.925 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -3.452 2.727 -7.136 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -4.636 2.238 -8.332 1.00 0.00 H new ATOM 0 HE ARG A 93 -2.711 0.252 -7.172 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -5.971 1.268 -8.064 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -6.723 -0.215 -7.465 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.693 -1.637 -6.366 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -5.441 -1.849 -6.510 1.00 0.00 H new ATOM 1483 N GLN A 94 0.274 4.059 -10.975 1.00 0.00 N ATOM 1484 CA GLN A 94 0.479 5.473 -11.214 1.00 0.00 C ATOM 1485 C GLN A 94 -0.854 6.197 -11.341 1.00 0.00 C ATOM 1486 O GLN A 94 -1.766 5.740 -12.032 1.00 0.00 O ATOM 1487 CB GLN A 94 1.343 5.720 -12.458 1.00 0.00 C ATOM 1488 CG GLN A 94 0.722 5.274 -13.775 1.00 0.00 C ATOM 1489 CD GLN A 94 0.695 3.764 -13.969 1.00 0.00 C ATOM 1490 OE1 GLN A 94 -0.196 3.236 -14.630 1.00 0.00 O ATOM 1491 NE2 GLN A 94 1.666 3.056 -13.407 1.00 0.00 N ATOM 0 H GLN A 94 0.323 3.472 -11.808 1.00 0.00 H new ATOM 0 HA GLN A 94 1.015 5.874 -10.354 1.00 0.00 H new ATOM 0 HB2 GLN A 94 1.565 6.785 -12.521 1.00 0.00 H new ATOM 0 HB3 GLN A 94 2.294 5.203 -12.329 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -0.298 5.655 -13.831 1.00 0.00 H new ATOM 0 HG3 GLN A 94 1.277 5.725 -14.597 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.391 3.525 -12.864 1.00 0.00 H new ATOM 0 HE22 GLN A 94 1.688 2.042 -13.518 1.00 0.00 H new ATOM 1500 N ASP A 95 -0.959 7.313 -10.647 1.00 0.00 N ATOM 1501 CA ASP A 95 -2.154 8.148 -10.690 1.00 0.00 C ATOM 1502 C ASP A 95 -2.057 9.113 -11.859 1.00 0.00 C ATOM 1503 O ASP A 95 -3.021 9.332 -12.591 1.00 0.00 O ATOM 1504 CB ASP A 95 -2.303 8.918 -9.375 1.00 0.00 C ATOM 1505 CG ASP A 95 -3.485 9.868 -9.370 1.00 0.00 C ATOM 1506 OD1 ASP A 95 -4.603 9.438 -9.016 1.00 0.00 O ATOM 1507 OD2 ASP A 95 -3.299 11.057 -9.695 1.00 0.00 O ATOM 0 H ASP A 95 -0.223 7.670 -10.037 1.00 0.00 H new ATOM 0 HA ASP A 95 -3.032 7.516 -10.823 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -2.413 8.207 -8.556 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -1.390 9.483 -9.187 1.00 0.00 H new ATOM 1512 N LEU A 96 -0.869 9.668 -12.033 1.00 0.00 N ATOM 1513 CA LEU A 96 -0.596 10.574 -13.135 1.00 0.00 C ATOM 1514 C LEU A 96 -0.053 9.787 -14.316 1.00 0.00 C ATOM 1515 O LEU A 96 0.949 9.088 -14.181 1.00 0.00 O ATOM 1516 CB LEU A 96 0.436 11.640 -12.739 1.00 0.00 C ATOM 1517 CG LEU A 96 0.131 12.459 -11.480 1.00 0.00 C ATOM 1518 CD1 LEU A 96 0.458 11.672 -10.219 1.00 0.00 C ATOM 1519 CD2 LEU A 96 0.911 13.761 -11.507 1.00 0.00 C ATOM 0 H LEU A 96 -0.072 9.504 -11.418 1.00 0.00 H new ATOM 0 HA LEU A 96 -1.529 11.070 -13.401 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.398 11.147 -12.599 1.00 0.00 H new ATOM 0 HB3 LEU A 96 0.550 12.330 -13.575 1.00 0.00 H new ATOM 0 HG LEU A 96 -0.936 12.682 -11.468 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.231 12.279 -9.342 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -0.139 10.761 -10.194 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.517 11.412 -10.217 1.00 0.00 H new ATOM 0 HD21 LEU A 96 0.689 14.337 -10.609 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.979 13.545 -11.544 1.00 0.00 H new ATOM 0 HD23 LEU A 96 0.627 14.337 -12.387 1.00 0.00 H new ATOM 1531 N PRO A 97 -0.705 9.874 -15.483 1.00 0.00 N ATOM 1532 CA PRO A 97 -0.209 9.240 -16.705 1.00 0.00 C ATOM 1533 C PRO A 97 1.103 9.871 -17.160 1.00 0.00 C ATOM 1534 O PRO A 97 2.007 9.187 -17.639 1.00 0.00 O ATOM 1535 CB PRO A 97 -1.317 9.500 -17.736 1.00 0.00 C ATOM 1536 CG PRO A 97 -2.511 9.914 -16.942 1.00 0.00 C ATOM 1537 CD PRO A 97 -1.978 10.576 -15.704 1.00 0.00 C ATOM 0 HA PRO A 97 0.000 8.179 -16.565 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -1.024 10.280 -18.439 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -1.526 8.605 -18.322 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -3.139 10.600 -17.511 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -3.128 9.052 -16.688 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -1.830 11.646 -15.849 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -2.656 10.460 -14.859 1.00 0.00 H new ATOM 1545 N GLU A 98 1.199 11.185 -16.991 1.00 0.00 N ATOM 1546 CA GLU A 98 2.393 11.924 -17.365 1.00 0.00 C ATOM 1547 C GLU A 98 2.737 12.958 -16.306 1.00 0.00 C ATOM 1548 O GLU A 98 2.104 14.012 -16.241 1.00 0.00 O ATOM 1549 CB GLU A 98 2.196 12.650 -18.697 1.00 0.00 C ATOM 1550 CG GLU A 98 1.901 11.744 -19.877 1.00 0.00 C ATOM 1551 CD GLU A 98 1.673 12.532 -21.147 1.00 0.00 C ATOM 1552 OE1 GLU A 98 0.524 12.949 -21.393 1.00 0.00 O ATOM 1553 OE2 GLU A 98 2.646 12.752 -21.893 1.00 0.00 O ATOM 0 H GLU A 98 0.457 11.761 -16.594 1.00 0.00 H new ATOM 0 HA GLU A 98 3.203 11.201 -17.458 1.00 0.00 H new ATOM 0 HB2 GLU A 98 1.377 13.361 -18.589 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.094 13.228 -18.916 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.732 11.054 -20.022 1.00 0.00 H new ATOM 0 HG3 GLU A 98 1.019 11.141 -19.660 1.00 0.00 H new ATOM 1560 N ILE A 99 3.720 12.664 -15.470 1.00 0.00 N ATOM 1561 CA ILE A 99 4.228 13.670 -14.549 1.00 0.00 C ATOM 1562 C ILE A 99 5.075 14.655 -15.336 1.00 0.00 C ATOM 1563 O ILE A 99 6.187 14.337 -15.747 1.00 0.00 O ATOM 1564 CB ILE A 99 5.073 13.058 -13.409 1.00 0.00 C ATOM 1565 CG1 ILE A 99 4.242 12.061 -12.597 1.00 0.00 C ATOM 1566 CG2 ILE A 99 5.619 14.157 -12.503 1.00 0.00 C ATOM 1567 CD1 ILE A 99 5.003 11.431 -11.449 1.00 0.00 C ATOM 0 H ILE A 99 4.176 11.754 -15.409 1.00 0.00 H new ATOM 0 HA ILE A 99 3.376 14.165 -14.083 1.00 0.00 H new ATOM 0 HB ILE A 99 5.913 12.524 -13.853 1.00 0.00 H new ATOM 0 HG12 ILE A 99 3.362 12.570 -12.203 1.00 0.00 H new ATOM 0 HG13 ILE A 99 3.884 11.274 -13.260 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.212 13.710 -11.705 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.246 14.832 -13.086 1.00 0.00 H new ATOM 0 HG23 ILE A 99 4.790 14.716 -12.069 1.00 0.00 H new ATOM 0 HD11 ILE A 99 4.352 10.736 -10.919 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.868 10.893 -11.837 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.338 12.210 -10.764 1.00 0.00 H new ATOM 1579 N THR A 100 4.541 15.835 -15.572 1.00 0.00 N ATOM 1580 CA THR A 100 5.211 16.792 -16.429 1.00 0.00 C ATOM 1581 C THR A 100 5.682 17.999 -15.626 1.00 0.00 C ATOM 1582 O THR A 100 4.882 18.699 -15.000 1.00 0.00 O ATOM 1583 CB THR A 100 4.280 17.247 -17.569 1.00 0.00 C ATOM 1584 OG1 THR A 100 3.363 16.189 -17.893 1.00 0.00 O ATOM 1585 CG2 THR A 100 5.083 17.607 -18.809 1.00 0.00 C ATOM 0 H THR A 100 3.652 16.153 -15.186 1.00 0.00 H new ATOM 0 HA THR A 100 6.082 16.302 -16.864 1.00 0.00 H new ATOM 0 HB THR A 100 3.732 18.128 -17.235 1.00 0.00 H new ATOM 0 HG1 THR A 100 2.770 16.480 -18.617 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.406 17.925 -19.601 1.00 0.00 H new ATOM 0 HG22 THR A 100 5.772 18.418 -18.573 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.647 16.736 -19.142 1.00 0.00 H new ATOM 1593 N ALA A 101 6.985 18.231 -15.645 1.00 0.00 N ATOM 1594 CA ALA A 101 7.575 19.339 -14.920 1.00 0.00 C ATOM 1595 C ALA A 101 8.304 20.260 -15.881 1.00 0.00 C ATOM 1596 O ALA A 101 8.967 19.798 -16.813 1.00 0.00 O ATOM 1597 CB ALA A 101 8.522 18.826 -13.846 1.00 0.00 C ATOM 0 H ALA A 101 7.656 17.661 -16.159 1.00 0.00 H new ATOM 0 HA ALA A 101 6.781 19.904 -14.432 1.00 0.00 H new ATOM 0 HB1 ALA A 101 8.957 19.670 -13.311 1.00 0.00 H new ATOM 0 HB2 ALA A 101 7.972 18.197 -13.146 1.00 0.00 H new ATOM 0 HB3 ALA A 101 9.317 18.243 -14.310 1.00 0.00 H new ATOM 1603 N GLN A 102 8.173 21.557 -15.665 1.00 0.00 N ATOM 1604 CA GLN A 102 8.792 22.534 -16.536 1.00 0.00 C ATOM 1605 C GLN A 102 9.428 23.656 -15.733 1.00 0.00 C ATOM 1606 O GLN A 102 8.849 24.155 -14.768 1.00 0.00 O ATOM 1607 CB GLN A 102 7.771 23.097 -17.528 1.00 0.00 C ATOM 1608 CG GLN A 102 6.495 23.618 -16.887 1.00 0.00 C ATOM 1609 CD GLN A 102 5.557 24.246 -17.900 1.00 0.00 C ATOM 1610 OE1 GLN A 102 4.713 23.573 -18.494 1.00 0.00 O ATOM 1611 NE2 GLN A 102 5.698 25.546 -18.099 1.00 0.00 N ATOM 0 H GLN A 102 7.642 21.956 -14.891 1.00 0.00 H new ATOM 0 HA GLN A 102 9.579 22.031 -17.098 1.00 0.00 H new ATOM 0 HB2 GLN A 102 8.237 23.906 -18.091 1.00 0.00 H new ATOM 0 HB3 GLN A 102 7.511 22.318 -18.245 1.00 0.00 H new ATOM 0 HG2 GLN A 102 5.984 22.799 -16.381 1.00 0.00 H new ATOM 0 HG3 GLN A 102 6.749 24.354 -16.124 1.00 0.00 H new ATOM 0 HE21 GLN A 102 6.410 26.066 -17.586 1.00 0.00 H new ATOM 0 HE22 GLN A 102 5.095 26.028 -18.765 1.00 0.00 H new