USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 602 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 26 THR OG1 : rot -130:sc= 0.531 USER MOD Set 1.2: A 62 THR OG1 : rot 152:sc= 0.651 USER MOD Set 2.1: A 36 MET CE :methyl -163:sc= -0.661 (180deg=-1.31) USER MOD Set 2.2: A 51 MET CE :methyl 170:sc= 0 (180deg=-0.2) USER MOD Set 3.1: A 1 ARG N :NH3+ 163:sc= 0.465 (180deg=-0.689) USER MOD Set 3.2: A 5 THR OG1 : rot -35:sc= 1.37 USER MOD Set 3.3: A 8 GLN : amide:sc= 0.501 X(o=2.3,f=2.4) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.00122 USER MOD Single : A 24 SER OG : rot 112:sc= 1.33 USER MOD Single : A 30 LYS NZ :NH3+ -170:sc= 0.849 (180deg=0.723) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -142:sc= 1.07 (180deg=-0.426) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 79:sc= 1.2 USER MOD Single : A 57 LYS NZ :NH3+ -158:sc= 1.03 (180deg=0.488) USER MOD Single : A 60 SER OG : rot 69:sc= 1.14 USER MOD Single : A 70 THR OG1 : rot 74:sc= 1.14 USER MOD Single : A 71 MET CE :methyl 170:sc= 0 (180deg=-0.154) USER MOD Single : A 72 MET CE :methyl 174:sc= -0.153 (180deg=-0.213) USER MOD Single : A 73 THR OG1 : rot 72:sc= 1.05 USER MOD Single : A 75 LYS NZ :NH3+ 165:sc= 0.0566 (180deg=-0.0626) USER MOD Single : A 76 MET CE :methyl 178:sc= 0 (180deg=-0.0101) USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 16.230 14.522 -10.120 1.00 0.00 N ATOM 2 CA ARG A 1 16.466 13.284 -9.355 1.00 0.00 C ATOM 3 C ARG A 1 16.112 13.477 -7.879 1.00 0.00 C ATOM 4 O ARG A 1 15.279 12.754 -7.335 1.00 0.00 O ATOM 5 CB ARG A 1 17.860 12.672 -9.595 1.00 0.00 C ATOM 6 CG ARG A 1 19.103 13.418 -9.079 1.00 0.00 C ATOM 7 CD ARG A 1 19.488 14.656 -9.902 1.00 0.00 C ATOM 8 NE ARG A 1 19.782 14.333 -11.307 1.00 0.00 N ATOM 9 CZ ARG A 1 20.915 13.776 -11.761 1.00 0.00 C ATOM 10 NH1 ARG A 1 21.890 13.425 -10.917 1.00 0.00 N ATOM 11 NH2 ARG A 1 21.066 13.579 -13.074 1.00 0.00 N ATOM 0 H1 ARG A 1 16.733 14.470 -11.029 1.00 0.00 H new ATOM 0 H2 ARG A 1 15.211 14.634 -10.294 1.00 0.00 H new ATOM 0 H3 ARG A 1 16.580 15.337 -9.577 1.00 0.00 H new ATOM 0 HA ARG A 1 15.783 12.527 -9.741 1.00 0.00 H new ATOM 0 HB2 ARG A 1 17.864 11.678 -9.148 1.00 0.00 H new ATOM 0 HB3 ARG A 1 17.980 12.538 -10.670 1.00 0.00 H new ATOM 0 HG2 ARG A 1 18.926 13.723 -8.048 1.00 0.00 H new ATOM 0 HG3 ARG A 1 19.947 12.728 -9.067 1.00 0.00 H new ATOM 0 HD2 ARG A 1 18.675 15.381 -9.862 1.00 0.00 H new ATOM 0 HD3 ARG A 1 20.360 15.130 -9.452 1.00 0.00 H new ATOM 0 HE ARG A 1 19.062 14.552 -11.996 1.00 0.00 H new ATOM 0 HH11 ARG A 1 21.777 13.580 -9.915 1.00 0.00 H new ATOM 0 HH12 ARG A 1 22.747 13.002 -11.275 1.00 0.00 H new ATOM 0 HH21 ARG A 1 20.324 13.851 -13.719 1.00 0.00 H new ATOM 0 HH22 ARG A 1 21.923 13.156 -13.431 1.00 0.00 H new ATOM 25 N VAL A 2 16.698 14.490 -7.235 1.00 0.00 N ATOM 26 CA VAL A 2 16.279 14.903 -5.907 1.00 0.00 C ATOM 27 C VAL A 2 15.027 15.751 -6.123 1.00 0.00 C ATOM 28 O VAL A 2 15.096 16.972 -6.263 1.00 0.00 O ATOM 29 CB VAL A 2 17.419 15.591 -5.124 1.00 0.00 C ATOM 30 CG1 VAL A 2 18.438 14.533 -4.679 1.00 0.00 C ATOM 31 CG2 VAL A 2 18.173 16.695 -5.880 1.00 0.00 C ATOM 0 H VAL A 2 17.468 15.037 -7.620 1.00 0.00 H new ATOM 0 HA VAL A 2 16.035 14.060 -5.261 1.00 0.00 H new ATOM 0 HB VAL A 2 16.926 16.083 -4.285 1.00 0.00 H new ATOM 0 HG11 VAL A 2 19.244 15.015 -4.126 1.00 0.00 H new ATOM 0 HG12 VAL A 2 17.946 13.800 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 2 18.848 14.032 -5.556 1.00 0.00 H new ATOM 0 HG21 VAL A 2 18.951 17.110 -5.238 1.00 0.00 H new ATOM 0 HG22 VAL A 2 18.628 16.276 -6.777 1.00 0.00 H new ATOM 0 HG23 VAL A 2 17.476 17.484 -6.162 1.00 0.00 H new ATOM 41 N GLY A 3 13.889 15.065 -6.265 1.00 0.00 N ATOM 42 CA GLY A 3 12.641 15.678 -6.687 1.00 0.00 C ATOM 43 C GLY A 3 12.821 16.332 -8.056 1.00 0.00 C ATOM 44 O GLY A 3 13.652 15.897 -8.860 1.00 0.00 O ATOM 0 H GLY A 3 13.815 14.063 -6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 3 11.854 14.926 -6.734 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.326 16.423 -5.957 1.00 0.00 H new ATOM 48 N LEU A 4 12.075 17.406 -8.329 1.00 0.00 N ATOM 49 CA LEU A 4 12.324 18.207 -9.516 1.00 0.00 C ATOM 50 C LEU A 4 13.550 19.075 -9.296 1.00 0.00 C ATOM 51 O LEU A 4 13.472 20.286 -9.099 1.00 0.00 O ATOM 52 CB LEU A 4 11.101 19.025 -9.938 1.00 0.00 C ATOM 53 CG LEU A 4 9.866 18.192 -10.312 1.00 0.00 C ATOM 54 CD1 LEU A 4 8.895 19.122 -11.043 1.00 0.00 C ATOM 55 CD2 LEU A 4 10.188 17.000 -11.221 1.00 0.00 C ATOM 0 H LEU A 4 11.303 17.733 -7.747 1.00 0.00 H new ATOM 0 HA LEU A 4 12.522 17.533 -10.349 1.00 0.00 H new ATOM 0 HB2 LEU A 4 10.834 19.699 -9.124 1.00 0.00 H new ATOM 0 HB3 LEU A 4 11.374 19.647 -10.791 1.00 0.00 H new ATOM 0 HG LEU A 4 9.445 17.779 -9.395 1.00 0.00 H new ATOM 0 HD11 LEU A 4 8.002 18.565 -11.326 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.616 19.946 -10.386 1.00 0.00 H new ATOM 0 HD13 LEU A 4 9.375 19.518 -11.938 1.00 0.00 H new ATOM 0 HD21 LEU A 4 9.271 16.456 -11.446 1.00 0.00 H new ATOM 0 HD22 LEU A 4 10.633 17.360 -12.149 1.00 0.00 H new ATOM 0 HD23 LEU A 4 10.889 16.336 -10.716 1.00 0.00 H new ATOM 67 N THR A 5 14.699 18.421 -9.398 1.00 0.00 N ATOM 68 CA THR A 5 15.984 19.067 -9.436 1.00 0.00 C ATOM 69 C THR A 5 16.056 19.934 -10.697 1.00 0.00 C ATOM 70 O THR A 5 15.333 19.685 -11.666 1.00 0.00 O ATOM 71 CB THR A 5 17.040 17.956 -9.465 1.00 0.00 C ATOM 72 OG1 THR A 5 16.652 16.881 -8.630 1.00 0.00 O ATOM 73 CG2 THR A 5 18.387 18.482 -8.992 1.00 0.00 C ATOM 0 H THR A 5 14.754 17.404 -9.457 1.00 0.00 H new ATOM 0 HA THR A 5 16.151 19.711 -8.572 1.00 0.00 H new ATOM 0 HB THR A 5 17.127 17.608 -10.494 1.00 0.00 H new ATOM 0 HG1 THR A 5 16.186 17.231 -7.842 1.00 0.00 H new ATOM 0 HG21 THR A 5 19.122 17.678 -9.020 1.00 0.00 H new ATOM 0 HG22 THR A 5 18.711 19.293 -9.645 1.00 0.00 H new ATOM 0 HG23 THR A 5 18.295 18.853 -7.971 1.00 0.00 H new ATOM 81 N GLU A 6 16.936 20.939 -10.689 1.00 0.00 N ATOM 82 CA GLU A 6 17.101 21.882 -11.786 1.00 0.00 C ATOM 83 C GLU A 6 17.109 21.175 -13.142 1.00 0.00 C ATOM 84 O GLU A 6 16.361 21.563 -14.029 1.00 0.00 O ATOM 85 CB GLU A 6 18.371 22.717 -11.581 1.00 0.00 C ATOM 86 CG GLU A 6 18.280 23.592 -10.323 1.00 0.00 C ATOM 87 CD GLU A 6 19.507 24.488 -10.187 1.00 0.00 C ATOM 88 OE1 GLU A 6 19.522 25.534 -10.870 1.00 0.00 O ATOM 89 OE2 GLU A 6 20.412 24.098 -9.416 1.00 0.00 O ATOM 0 H GLU A 6 17.562 21.119 -9.904 1.00 0.00 H new ATOM 0 HA GLU A 6 16.244 22.555 -11.786 1.00 0.00 H new ATOM 0 HB2 GLU A 6 19.233 22.054 -11.502 1.00 0.00 H new ATOM 0 HB3 GLU A 6 18.535 23.350 -12.453 1.00 0.00 H new ATOM 0 HG2 GLU A 6 17.381 24.206 -10.368 1.00 0.00 H new ATOM 0 HG3 GLU A 6 18.189 22.958 -9.441 1.00 0.00 H new ATOM 96 N GLU A 7 17.906 20.115 -13.292 1.00 0.00 N ATOM 97 CA GLU A 7 17.946 19.312 -14.504 1.00 0.00 C ATOM 98 C GLU A 7 16.539 18.897 -14.961 1.00 0.00 C ATOM 99 O GLU A 7 16.176 19.078 -16.122 1.00 0.00 O ATOM 100 CB GLU A 7 18.835 18.091 -14.232 1.00 0.00 C ATOM 101 CG GLU A 7 19.107 17.306 -15.516 1.00 0.00 C ATOM 102 CD GLU A 7 19.884 16.026 -15.232 1.00 0.00 C ATOM 103 OE1 GLU A 7 19.301 15.146 -14.559 1.00 0.00 O ATOM 104 OE2 GLU A 7 21.050 15.950 -15.671 1.00 0.00 O ATOM 0 H GLU A 7 18.545 19.792 -12.566 1.00 0.00 H new ATOM 0 HA GLU A 7 18.363 19.901 -15.321 1.00 0.00 H new ATOM 0 HB2 GLU A 7 19.779 18.416 -13.795 1.00 0.00 H new ATOM 0 HB3 GLU A 7 18.352 17.442 -13.502 1.00 0.00 H new ATOM 0 HG2 GLU A 7 18.162 17.060 -16.001 1.00 0.00 H new ATOM 0 HG3 GLU A 7 19.670 17.928 -16.212 1.00 0.00 H new ATOM 111 N GLN A 8 15.730 18.351 -14.048 1.00 0.00 N ATOM 112 CA GLN A 8 14.380 17.945 -14.400 1.00 0.00 C ATOM 113 C GLN A 8 13.552 19.167 -14.786 1.00 0.00 C ATOM 114 O GLN A 8 12.829 19.119 -15.776 1.00 0.00 O ATOM 115 CB GLN A 8 13.717 17.135 -13.281 1.00 0.00 C ATOM 116 CG GLN A 8 14.485 15.837 -12.998 1.00 0.00 C ATOM 117 CD GLN A 8 13.551 14.712 -12.554 1.00 0.00 C ATOM 118 OE1 GLN A 8 13.200 13.847 -13.346 1.00 0.00 O ATOM 119 NE2 GLN A 8 13.123 14.698 -11.296 1.00 0.00 N ATOM 0 H GLN A 8 15.988 18.185 -13.075 1.00 0.00 H new ATOM 0 HA GLN A 8 14.436 17.283 -15.264 1.00 0.00 H new ATOM 0 HB2 GLN A 8 13.670 17.737 -12.373 1.00 0.00 H new ATOM 0 HB3 GLN A 8 12.690 16.898 -13.560 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.024 15.530 -13.895 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.231 16.017 -12.224 1.00 0.00 H new ATOM 0 HE21 GLN A 8 13.424 15.425 -10.647 1.00 0.00 H new ATOM 0 HE22 GLN A 8 12.494 13.960 -10.980 1.00 0.00 H new ATOM 128 N LYS A 9 13.662 20.271 -14.043 1.00 0.00 N ATOM 129 CA LYS A 9 12.940 21.488 -14.401 1.00 0.00 C ATOM 130 C LYS A 9 13.341 21.993 -15.798 1.00 0.00 C ATOM 131 O LYS A 9 12.482 22.415 -16.570 1.00 0.00 O ATOM 132 CB LYS A 9 13.094 22.553 -13.308 1.00 0.00 C ATOM 133 CG LYS A 9 12.479 22.037 -11.998 1.00 0.00 C ATOM 134 CD LYS A 9 12.318 23.127 -10.931 1.00 0.00 C ATOM 135 CE LYS A 9 13.669 23.677 -10.469 1.00 0.00 C ATOM 136 NZ LYS A 9 13.507 24.626 -9.353 1.00 0.00 N ATOM 0 H LYS A 9 14.236 20.345 -13.203 1.00 0.00 H new ATOM 0 HA LYS A 9 11.877 21.254 -14.463 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.148 22.787 -13.160 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.602 23.477 -13.614 1.00 0.00 H new ATOM 0 HG2 LYS A 9 11.503 21.600 -12.211 1.00 0.00 H new ATOM 0 HG3 LYS A 9 13.106 21.239 -11.600 1.00 0.00 H new ATOM 0 HD2 LYS A 9 11.713 23.940 -11.331 1.00 0.00 H new ATOM 0 HD3 LYS A 9 11.780 22.720 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.312 22.854 -10.159 1.00 0.00 H new ATOM 0 HE3 LYS A 9 14.166 24.174 -11.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 14.440 24.982 -9.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 12.912 25.423 -9.658 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 13.054 24.144 -8.550 1.00 0.00 H new ATOM 150 N GLN A 10 14.627 21.911 -16.147 1.00 0.00 N ATOM 151 CA GLN A 10 15.120 22.228 -17.480 1.00 0.00 C ATOM 152 C GLN A 10 14.444 21.318 -18.511 1.00 0.00 C ATOM 153 O GLN A 10 13.833 21.813 -19.456 1.00 0.00 O ATOM 154 CB GLN A 10 16.652 22.112 -17.528 1.00 0.00 C ATOM 155 CG GLN A 10 17.337 23.179 -16.660 1.00 0.00 C ATOM 156 CD GLN A 10 18.802 22.859 -16.368 1.00 0.00 C ATOM 157 OE1 GLN A 10 19.376 21.929 -16.924 1.00 0.00 O ATOM 158 NE2 GLN A 10 19.428 23.625 -15.478 1.00 0.00 N ATOM 0 H GLN A 10 15.360 21.619 -15.501 1.00 0.00 H new ATOM 0 HA GLN A 10 14.868 23.260 -17.726 1.00 0.00 H new ATOM 0 HB2 GLN A 10 16.951 21.121 -17.188 1.00 0.00 H new ATOM 0 HB3 GLN A 10 16.991 22.211 -18.559 1.00 0.00 H new ATOM 0 HG2 GLN A 10 17.275 24.144 -17.163 1.00 0.00 H new ATOM 0 HG3 GLN A 10 16.797 23.275 -15.718 1.00 0.00 H new ATOM 0 HE21 GLN A 10 18.931 24.393 -15.027 1.00 0.00 H new ATOM 0 HE22 GLN A 10 20.405 23.444 -15.246 1.00 0.00 H new ATOM 167 N GLU A 11 14.506 19.995 -18.320 1.00 0.00 N ATOM 168 CA GLU A 11 13.854 19.046 -19.222 1.00 0.00 C ATOM 169 C GLU A 11 12.362 19.375 -19.391 1.00 0.00 C ATOM 170 O GLU A 11 11.852 19.458 -20.509 1.00 0.00 O ATOM 171 CB GLU A 11 14.059 17.615 -18.707 1.00 0.00 C ATOM 172 CG GLU A 11 15.528 17.179 -18.806 1.00 0.00 C ATOM 173 CD GLU A 11 15.758 15.834 -18.123 1.00 0.00 C ATOM 174 OE1 GLU A 11 15.952 15.848 -16.888 1.00 0.00 O ATOM 175 OE2 GLU A 11 15.722 14.816 -18.848 1.00 0.00 O ATOM 0 H GLU A 11 15.004 19.558 -17.544 1.00 0.00 H new ATOM 0 HA GLU A 11 14.312 19.127 -20.208 1.00 0.00 H new ATOM 0 HB2 GLU A 11 13.730 17.551 -17.670 1.00 0.00 H new ATOM 0 HB3 GLU A 11 13.437 16.929 -19.282 1.00 0.00 H new ATOM 0 HG2 GLU A 11 15.819 17.111 -19.854 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.165 17.935 -18.347 1.00 0.00 H new ATOM 182 N ILE A 12 11.661 19.581 -18.276 1.00 0.00 N ATOM 183 CA ILE A 12 10.251 19.953 -18.253 1.00 0.00 C ATOM 184 C ILE A 12 10.039 21.254 -19.041 1.00 0.00 C ATOM 185 O ILE A 12 9.095 21.352 -19.821 1.00 0.00 O ATOM 186 CB ILE A 12 9.764 20.018 -16.790 1.00 0.00 C ATOM 187 CG1 ILE A 12 9.742 18.594 -16.197 1.00 0.00 C ATOM 188 CG2 ILE A 12 8.362 20.629 -16.655 1.00 0.00 C ATOM 189 CD1 ILE A 12 9.616 18.590 -14.672 1.00 0.00 C ATOM 0 H ILE A 12 12.068 19.491 -17.345 1.00 0.00 H new ATOM 0 HA ILE A 12 9.641 19.199 -18.751 1.00 0.00 H new ATOM 0 HB ILE A 12 10.458 20.662 -16.250 1.00 0.00 H new ATOM 0 HG12 ILE A 12 8.909 18.039 -16.628 1.00 0.00 H new ATOM 0 HG13 ILE A 12 10.655 18.072 -16.483 1.00 0.00 H new ATOM 0 HG21 ILE A 12 8.073 20.648 -15.604 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.369 21.646 -17.048 1.00 0.00 H new ATOM 0 HG23 ILE A 12 7.647 20.027 -17.217 1.00 0.00 H new ATOM 0 HD11 ILE A 12 9.606 17.562 -14.310 1.00 0.00 H new ATOM 0 HD12 ILE A 12 10.463 19.120 -14.236 1.00 0.00 H new ATOM 0 HD13 ILE A 12 8.690 19.086 -14.382 1.00 0.00 H new ATOM 201 N ARG A 13 10.908 22.253 -18.867 1.00 0.00 N ATOM 202 CA ARG A 13 10.823 23.500 -19.615 1.00 0.00 C ATOM 203 C ARG A 13 11.020 23.264 -21.118 1.00 0.00 C ATOM 204 O ARG A 13 10.264 23.803 -21.924 1.00 0.00 O ATOM 205 CB ARG A 13 11.804 24.530 -19.038 1.00 0.00 C ATOM 206 CG ARG A 13 11.753 25.893 -19.743 1.00 0.00 C ATOM 207 CD ARG A 13 10.393 26.584 -19.590 1.00 0.00 C ATOM 208 NE ARG A 13 10.424 27.922 -20.191 1.00 0.00 N ATOM 209 CZ ARG A 13 9.424 28.810 -20.117 1.00 0.00 C ATOM 210 NH1 ARG A 13 8.307 28.516 -19.443 1.00 0.00 N ATOM 211 NH2 ARG A 13 9.552 29.995 -20.722 1.00 0.00 N ATOM 0 H ARG A 13 11.684 22.216 -18.206 1.00 0.00 H new ATOM 0 HA ARG A 13 9.820 23.912 -19.505 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.588 24.670 -17.979 1.00 0.00 H new ATOM 0 HB3 ARG A 13 12.817 24.133 -19.107 1.00 0.00 H new ATOM 0 HG2 ARG A 13 12.532 26.538 -19.336 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.971 25.759 -20.802 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.618 25.983 -20.066 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.134 26.660 -18.534 1.00 0.00 H new ATOM 0 HE ARG A 13 11.265 28.195 -20.700 1.00 0.00 H new ATOM 0 HH11 ARG A 13 8.213 27.611 -18.982 1.00 0.00 H new ATOM 0 HH12 ARG A 13 7.549 29.197 -19.390 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.406 30.216 -21.234 1.00 0.00 H new ATOM 0 HH22 ARG A 13 8.796 30.678 -20.671 1.00 0.00 H new ATOM 225 N GLU A 14 12.009 22.455 -21.508 1.00 0.00 N ATOM 226 CA GLU A 14 12.212 22.092 -22.907 1.00 0.00 C ATOM 227 C GLU A 14 10.941 21.452 -23.476 1.00 0.00 C ATOM 228 O GLU A 14 10.447 21.865 -24.526 1.00 0.00 O ATOM 229 CB GLU A 14 13.418 21.155 -23.048 1.00 0.00 C ATOM 230 CG GLU A 14 14.741 21.865 -22.726 1.00 0.00 C ATOM 231 CD GLU A 14 15.900 20.874 -22.706 1.00 0.00 C ATOM 232 OE1 GLU A 14 16.339 20.498 -23.814 1.00 0.00 O ATOM 233 OE2 GLU A 14 16.315 20.503 -21.586 1.00 0.00 O ATOM 0 H GLU A 14 12.684 22.038 -20.867 1.00 0.00 H new ATOM 0 HA GLU A 14 12.423 22.995 -23.480 1.00 0.00 H new ATOM 0 HB2 GLU A 14 13.293 20.302 -22.382 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.455 20.763 -24.064 1.00 0.00 H new ATOM 0 HG2 GLU A 14 14.933 22.640 -23.468 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.666 22.362 -21.759 1.00 0.00 H new ATOM 240 N ALA A 15 10.398 20.453 -22.772 1.00 0.00 N ATOM 241 CA ALA A 15 9.155 19.804 -23.167 1.00 0.00 C ATOM 242 C ALA A 15 8.040 20.841 -23.328 1.00 0.00 C ATOM 243 O ALA A 15 7.401 20.911 -24.374 1.00 0.00 O ATOM 244 CB ALA A 15 8.782 18.723 -22.147 1.00 0.00 C ATOM 0 H ALA A 15 10.809 20.077 -21.918 1.00 0.00 H new ATOM 0 HA ALA A 15 9.293 19.319 -24.133 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.852 18.243 -22.450 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.576 17.978 -22.100 1.00 0.00 H new ATOM 0 HB3 ALA A 15 8.653 19.178 -21.165 1.00 0.00 H new ATOM 250 N PHE A 16 7.834 21.673 -22.302 1.00 0.00 N ATOM 251 CA PHE A 16 6.860 22.757 -22.318 1.00 0.00 C ATOM 252 C PHE A 16 7.004 23.593 -23.592 1.00 0.00 C ATOM 253 O PHE A 16 6.038 23.780 -24.332 1.00 0.00 O ATOM 254 CB PHE A 16 7.021 23.622 -21.059 1.00 0.00 C ATOM 255 CG PHE A 16 6.058 24.787 -20.951 1.00 0.00 C ATOM 256 CD1 PHE A 16 4.782 24.591 -20.396 1.00 0.00 C ATOM 257 CD2 PHE A 16 6.443 26.075 -21.374 1.00 0.00 C ATOM 258 CE1 PHE A 16 3.888 25.666 -20.273 1.00 0.00 C ATOM 259 CE2 PHE A 16 5.548 27.152 -21.252 1.00 0.00 C ATOM 260 CZ PHE A 16 4.273 26.948 -20.700 1.00 0.00 C ATOM 0 H PHE A 16 8.350 21.607 -21.425 1.00 0.00 H new ATOM 0 HA PHE A 16 5.856 22.334 -22.316 1.00 0.00 H new ATOM 0 HB2 PHE A 16 6.897 22.986 -20.182 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.040 24.009 -21.031 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.487 23.607 -20.062 1.00 0.00 H new ATOM 0 HD2 PHE A 16 7.426 26.235 -21.792 1.00 0.00 H new ATOM 0 HE1 PHE A 16 2.906 25.508 -19.851 1.00 0.00 H new ATOM 0 HE2 PHE A 16 5.841 28.137 -21.583 1.00 0.00 H new ATOM 0 HZ PHE A 16 3.588 27.777 -20.604 1.00 0.00 H new ATOM 270 N ASP A 17 8.220 24.084 -23.851 1.00 0.00 N ATOM 271 CA ASP A 17 8.526 24.893 -25.020 1.00 0.00 C ATOM 272 C ASP A 17 8.135 24.162 -26.306 1.00 0.00 C ATOM 273 O ASP A 17 7.421 24.727 -27.130 1.00 0.00 O ATOM 274 CB ASP A 17 10.009 25.277 -25.020 1.00 0.00 C ATOM 275 CG ASP A 17 10.349 26.139 -26.231 1.00 0.00 C ATOM 276 OD1 ASP A 17 10.165 27.371 -26.120 1.00 0.00 O ATOM 277 OD2 ASP A 17 10.788 25.550 -27.243 1.00 0.00 O ATOM 0 H ASP A 17 9.024 23.925 -23.244 1.00 0.00 H new ATOM 0 HA ASP A 17 7.938 25.810 -24.977 1.00 0.00 H new ATOM 0 HB2 ASP A 17 10.248 25.818 -24.105 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.622 24.376 -25.027 1.00 0.00 H new ATOM 282 N LEU A 18 8.586 22.912 -26.468 1.00 0.00 N ATOM 283 CA LEU A 18 8.240 22.096 -27.629 1.00 0.00 C ATOM 284 C LEU A 18 6.722 22.053 -27.806 1.00 0.00 C ATOM 285 O LEU A 18 6.206 22.329 -28.887 1.00 0.00 O ATOM 286 CB LEU A 18 8.797 20.670 -27.471 1.00 0.00 C ATOM 287 CG LEU A 18 8.562 19.814 -28.732 1.00 0.00 C ATOM 288 CD1 LEU A 18 9.733 19.958 -29.709 1.00 0.00 C ATOM 289 CD2 LEU A 18 8.357 18.342 -28.356 1.00 0.00 C ATOM 0 H LEU A 18 9.198 22.443 -25.800 1.00 0.00 H new ATOM 0 HA LEU A 18 8.687 22.545 -28.516 1.00 0.00 H new ATOM 0 HB2 LEU A 18 9.865 20.720 -27.261 1.00 0.00 H new ATOM 0 HB3 LEU A 18 8.325 20.190 -26.614 1.00 0.00 H new ATOM 0 HG LEU A 18 7.658 20.173 -29.223 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.548 19.346 -30.592 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.833 21.002 -30.006 1.00 0.00 H new ATOM 0 HD13 LEU A 18 10.653 19.628 -29.226 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.193 17.755 -29.260 1.00 0.00 H new ATOM 0 HD22 LEU A 18 9.242 17.972 -27.839 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.490 18.251 -27.702 1.00 0.00 H new ATOM 301 N PHE A 19 6.010 21.672 -26.743 1.00 0.00 N ATOM 302 CA PHE A 19 4.564 21.542 -26.768 1.00 0.00 C ATOM 303 C PHE A 19 3.893 22.870 -27.116 1.00 0.00 C ATOM 304 O PHE A 19 2.903 22.875 -27.843 1.00 0.00 O ATOM 305 CB PHE A 19 4.068 21.011 -25.420 1.00 0.00 C ATOM 306 CG PHE A 19 4.618 19.663 -24.974 1.00 0.00 C ATOM 307 CD1 PHE A 19 4.938 18.658 -25.910 1.00 0.00 C ATOM 308 CD2 PHE A 19 4.693 19.377 -23.598 1.00 0.00 C ATOM 309 CE1 PHE A 19 5.344 17.385 -25.473 1.00 0.00 C ATOM 310 CE2 PHE A 19 5.074 18.095 -23.163 1.00 0.00 C ATOM 311 CZ PHE A 19 5.416 17.104 -24.099 1.00 0.00 C ATOM 0 H PHE A 19 6.428 21.446 -25.841 1.00 0.00 H new ATOM 0 HA PHE A 19 4.293 20.830 -27.547 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.310 21.748 -24.654 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.981 20.939 -25.461 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.871 18.867 -26.967 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.457 20.144 -22.875 1.00 0.00 H new ATOM 0 HE1 PHE A 19 5.601 16.623 -26.194 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.104 17.871 -22.107 1.00 0.00 H new ATOM 0 HZ PHE A 19 5.734 16.128 -23.762 1.00 0.00 H new ATOM 321 N ASP A 20 4.420 23.991 -26.618 1.00 0.00 N ATOM 322 CA ASP A 20 3.931 25.314 -26.980 1.00 0.00 C ATOM 323 C ASP A 20 4.363 25.668 -28.413 1.00 0.00 C ATOM 324 O ASP A 20 5.070 26.650 -28.631 1.00 0.00 O ATOM 325 CB ASP A 20 4.420 26.349 -25.956 1.00 0.00 C ATOM 326 CG ASP A 20 3.806 27.731 -26.174 1.00 0.00 C ATOM 327 OD1 ASP A 20 2.943 27.859 -27.069 1.00 0.00 O ATOM 328 OD2 ASP A 20 4.214 28.655 -25.437 1.00 0.00 O ATOM 0 H ASP A 20 5.195 24.002 -25.955 1.00 0.00 H new ATOM 0 HA ASP A 20 2.841 25.319 -26.961 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.177 26.003 -24.951 1.00 0.00 H new ATOM 0 HB3 ASP A 20 5.506 26.425 -26.013 1.00 0.00 H new ATOM 333 N THR A 21 3.905 24.898 -29.402 1.00 0.00 N ATOM 334 CA THR A 21 4.219 25.107 -30.807 1.00 0.00 C ATOM 335 C THR A 21 3.807 26.509 -31.262 1.00 0.00 C ATOM 336 O THR A 21 4.501 27.128 -32.066 1.00 0.00 O ATOM 337 CB THR A 21 3.533 24.019 -31.643 1.00 0.00 C ATOM 338 OG1 THR A 21 2.169 23.925 -31.285 1.00 0.00 O ATOM 339 CG2 THR A 21 4.179 22.651 -31.410 1.00 0.00 C ATOM 0 H THR A 21 3.294 24.098 -29.240 1.00 0.00 H new ATOM 0 HA THR A 21 5.297 25.034 -30.950 1.00 0.00 H new ATOM 0 HB THR A 21 3.639 24.296 -32.692 1.00 0.00 H new ATOM 0 HG1 THR A 21 1.737 23.230 -31.823 1.00 0.00 H new ATOM 0 HG21 THR A 21 3.671 21.901 -32.016 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.231 22.693 -31.691 1.00 0.00 H new ATOM 0 HG23 THR A 21 4.095 22.384 -30.357 1.00 0.00 H new ATOM 347 N ASP A 22 2.688 27.019 -30.739 1.00 0.00 N ATOM 348 CA ASP A 22 2.212 28.365 -31.032 1.00 0.00 C ATOM 349 C ASP A 22 3.158 29.438 -30.484 1.00 0.00 C ATOM 350 O ASP A 22 3.109 30.579 -30.937 1.00 0.00 O ATOM 351 CB ASP A 22 0.804 28.572 -30.450 1.00 0.00 C ATOM 352 CG ASP A 22 -0.258 27.694 -31.108 1.00 0.00 C ATOM 353 OD1 ASP A 22 -0.234 27.598 -32.354 1.00 0.00 O ATOM 354 OD2 ASP A 22 -1.094 27.150 -30.354 1.00 0.00 O ATOM 0 H ASP A 22 2.087 26.503 -30.097 1.00 0.00 H new ATOM 0 HA ASP A 22 2.179 28.467 -32.117 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.826 28.363 -29.380 1.00 0.00 H new ATOM 0 HB3 ASP A 22 0.522 29.619 -30.564 1.00 0.00 H new ATOM 359 N GLY A 23 3.982 29.108 -29.484 1.00 0.00 N ATOM 360 CA GLY A 23 4.816 30.076 -28.791 1.00 0.00 C ATOM 361 C GLY A 23 3.967 31.135 -28.084 1.00 0.00 C ATOM 362 O GLY A 23 4.367 32.294 -27.999 1.00 0.00 O ATOM 0 H GLY A 23 4.084 28.155 -29.136 1.00 0.00 H new ATOM 0 HA2 GLY A 23 5.443 29.563 -28.062 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.485 30.559 -29.503 1.00 0.00 H new ATOM 366 N SER A 24 2.801 30.746 -27.559 1.00 0.00 N ATOM 367 CA SER A 24 1.890 31.639 -26.866 1.00 0.00 C ATOM 368 C SER A 24 2.448 32.059 -25.504 1.00 0.00 C ATOM 369 O SER A 24 2.048 33.089 -24.970 1.00 0.00 O ATOM 370 CB SER A 24 0.542 30.921 -26.721 1.00 0.00 C ATOM 371 OG SER A 24 0.703 29.515 -26.792 1.00 0.00 O ATOM 0 H SER A 24 2.465 29.784 -27.609 1.00 0.00 H new ATOM 0 HA SER A 24 1.761 32.556 -27.441 1.00 0.00 H new ATOM 0 HB2 SER A 24 0.084 31.190 -25.769 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.137 31.253 -27.507 1.00 0.00 H new ATOM 0 HG SER A 24 0.510 29.119 -25.917 1.00 0.00 H new ATOM 377 N GLY A 25 3.318 31.232 -24.919 1.00 0.00 N ATOM 378 CA GLY A 25 3.827 31.399 -23.565 1.00 0.00 C ATOM 379 C GLY A 25 3.096 30.467 -22.600 1.00 0.00 C ATOM 380 O GLY A 25 3.638 30.103 -21.558 1.00 0.00 O ATOM 0 H GLY A 25 3.694 30.409 -25.390 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.896 31.188 -23.544 1.00 0.00 H new ATOM 0 HA3 GLY A 25 3.700 32.434 -23.247 1.00 0.00 H new ATOM 384 N THR A 26 1.869 30.074 -22.953 1.00 0.00 N ATOM 385 CA THR A 26 1.015 29.183 -22.194 1.00 0.00 C ATOM 386 C THR A 26 0.505 28.101 -23.155 1.00 0.00 C ATOM 387 O THR A 26 0.199 28.398 -24.311 1.00 0.00 O ATOM 388 CB THR A 26 -0.100 30.019 -21.553 1.00 0.00 C ATOM 389 OG1 THR A 26 -0.837 30.700 -22.547 1.00 0.00 O ATOM 390 CG2 THR A 26 0.461 31.087 -20.609 1.00 0.00 C ATOM 0 H THR A 26 1.432 30.389 -23.819 1.00 0.00 H new ATOM 0 HA THR A 26 1.537 28.678 -21.381 1.00 0.00 H new ATOM 0 HB THR A 26 -0.728 29.322 -20.998 1.00 0.00 H new ATOM 0 HG1 THR A 26 -0.913 31.647 -22.307 1.00 0.00 H new ATOM 0 HG21 THR A 26 -0.361 31.657 -20.176 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.029 30.606 -19.812 1.00 0.00 H new ATOM 0 HG23 THR A 26 1.114 31.758 -21.166 1.00 0.00 H new ATOM 398 N ILE A 27 0.467 26.838 -22.716 1.00 0.00 N ATOM 399 CA ILE A 27 0.102 25.714 -23.573 1.00 0.00 C ATOM 400 C ILE A 27 -1.420 25.664 -23.695 1.00 0.00 C ATOM 401 O ILE A 27 -2.102 25.331 -22.728 1.00 0.00 O ATOM 402 CB ILE A 27 0.680 24.406 -23.002 1.00 0.00 C ATOM 403 CG1 ILE A 27 2.206 24.425 -23.176 1.00 0.00 C ATOM 404 CG2 ILE A 27 0.122 23.152 -23.691 1.00 0.00 C ATOM 405 CD1 ILE A 27 2.863 23.184 -22.577 1.00 0.00 C ATOM 0 H ILE A 27 0.689 26.571 -21.757 1.00 0.00 H new ATOM 0 HA ILE A 27 0.523 25.841 -24.570 1.00 0.00 H new ATOM 0 HB ILE A 27 0.393 24.355 -21.952 1.00 0.00 H new ATOM 0 HG12 ILE A 27 2.450 24.489 -24.237 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.614 25.317 -22.701 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.567 22.263 -23.245 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -0.960 23.118 -23.564 1.00 0.00 H new ATOM 0 HG23 ILE A 27 0.362 23.183 -24.754 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.942 23.238 -22.722 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.642 23.134 -21.511 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.475 22.293 -23.070 1.00 0.00 H new ATOM 417 N ASP A 28 -1.961 25.963 -24.877 1.00 0.00 N ATOM 418 CA ASP A 28 -3.388 25.815 -25.130 1.00 0.00 C ATOM 419 C ASP A 28 -3.808 24.354 -24.950 1.00 0.00 C ATOM 420 O ASP A 28 -3.040 23.445 -25.262 1.00 0.00 O ATOM 421 CB ASP A 28 -3.716 26.314 -26.543 1.00 0.00 C ATOM 422 CG ASP A 28 -5.206 26.198 -26.849 1.00 0.00 C ATOM 423 OD1 ASP A 28 -5.617 25.094 -27.271 1.00 0.00 O ATOM 424 OD2 ASP A 28 -5.912 27.208 -26.647 1.00 0.00 O ATOM 0 H ASP A 28 -1.427 26.310 -25.674 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.947 26.416 -24.413 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -3.403 27.353 -26.644 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -3.148 25.738 -27.274 1.00 0.00 H new ATOM 429 N ALA A 29 -5.038 24.124 -24.485 1.00 0.00 N ATOM 430 CA ALA A 29 -5.621 22.791 -24.355 1.00 0.00 C ATOM 431 C ALA A 29 -5.264 21.852 -25.520 1.00 0.00 C ATOM 432 O ALA A 29 -4.829 20.721 -25.303 1.00 0.00 O ATOM 433 CB ALA A 29 -7.140 22.925 -24.213 1.00 0.00 C ATOM 0 H ALA A 29 -5.664 24.871 -24.184 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.195 22.330 -23.464 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -7.585 21.935 -24.115 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.372 23.516 -23.327 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.546 23.420 -25.096 1.00 0.00 H new ATOM 439 N LYS A 30 -5.414 22.327 -26.762 1.00 0.00 N ATOM 440 CA LYS A 30 -5.077 21.555 -27.953 1.00 0.00 C ATOM 441 C LYS A 30 -3.598 21.152 -27.955 1.00 0.00 C ATOM 442 O LYS A 30 -3.257 20.004 -28.237 1.00 0.00 O ATOM 443 CB LYS A 30 -5.416 22.362 -29.212 1.00 0.00 C ATOM 444 CG LYS A 30 -6.921 22.648 -29.313 1.00 0.00 C ATOM 445 CD LYS A 30 -7.299 23.294 -30.656 1.00 0.00 C ATOM 446 CE LYS A 30 -6.619 24.646 -30.913 1.00 0.00 C ATOM 447 NZ LYS A 30 -6.899 25.620 -29.842 1.00 0.00 N ATOM 0 H LYS A 30 -5.774 23.260 -26.965 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.669 20.640 -27.946 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.866 23.303 -29.200 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.089 21.813 -30.095 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.475 21.717 -29.190 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.220 23.307 -28.498 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.039 22.609 -31.463 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.380 23.430 -30.690 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.542 24.500 -30.997 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.961 25.048 -31.867 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.567 26.561 -30.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.923 25.654 -29.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.405 25.332 -28.973 1.00 0.00 H new ATOM 461 N GLU A 31 -2.710 22.094 -27.630 1.00 0.00 N ATOM 462 CA GLU A 31 -1.283 21.828 -27.537 1.00 0.00 C ATOM 463 C GLU A 31 -1.017 20.794 -26.438 1.00 0.00 C ATOM 464 O GLU A 31 -0.171 19.919 -26.605 1.00 0.00 O ATOM 465 CB GLU A 31 -0.514 23.130 -27.284 1.00 0.00 C ATOM 466 CG GLU A 31 -0.600 24.115 -28.457 1.00 0.00 C ATOM 467 CD GLU A 31 0.111 25.421 -28.120 1.00 0.00 C ATOM 468 OE1 GLU A 31 -0.348 26.081 -27.161 1.00 0.00 O ATOM 469 OE2 GLU A 31 1.105 25.733 -28.813 1.00 0.00 O ATOM 0 H GLU A 31 -2.965 23.060 -27.425 1.00 0.00 H new ATOM 0 HA GLU A 31 -0.930 21.415 -28.482 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.905 23.608 -26.386 1.00 0.00 H new ATOM 0 HB3 GLU A 31 0.533 22.895 -27.090 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.151 23.670 -29.345 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.645 24.315 -28.694 1.00 0.00 H new ATOM 476 N LEU A 32 -1.744 20.862 -25.319 1.00 0.00 N ATOM 477 CA LEU A 32 -1.604 19.857 -24.268 1.00 0.00 C ATOM 478 C LEU A 32 -2.070 18.478 -24.762 1.00 0.00 C ATOM 479 O LEU A 32 -1.441 17.463 -24.467 1.00 0.00 O ATOM 480 CB LEU A 32 -2.338 20.284 -22.988 1.00 0.00 C ATOM 481 CG LEU A 32 -1.754 19.574 -21.752 1.00 0.00 C ATOM 482 CD1 LEU A 32 -0.466 20.244 -21.253 1.00 0.00 C ATOM 483 CD2 LEU A 32 -2.799 19.548 -20.631 1.00 0.00 C ATOM 0 H LEU A 32 -2.427 21.594 -25.121 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.546 19.774 -24.018 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.259 21.364 -22.862 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.399 20.051 -23.078 1.00 0.00 H new ATOM 0 HG LEU A 32 -1.497 18.556 -22.046 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.092 19.708 -20.381 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.285 20.222 -22.042 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.676 21.279 -20.981 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.383 19.045 -19.758 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.073 20.569 -20.366 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.685 19.011 -20.971 1.00 0.00 H new ATOM 495 N LYS A 33 -3.160 18.420 -25.529 1.00 0.00 N ATOM 496 CA LYS A 33 -3.580 17.186 -26.185 1.00 0.00 C ATOM 497 C LYS A 33 -2.477 16.660 -27.108 1.00 0.00 C ATOM 498 O LYS A 33 -2.144 15.475 -27.043 1.00 0.00 O ATOM 499 CB LYS A 33 -4.945 17.390 -26.850 1.00 0.00 C ATOM 500 CG LYS A 33 -5.444 16.178 -27.651 1.00 0.00 C ATOM 501 CD LYS A 33 -4.995 16.204 -29.121 1.00 0.00 C ATOM 502 CE LYS A 33 -5.607 15.027 -29.886 1.00 0.00 C ATOM 503 NZ LYS A 33 -5.187 15.032 -31.299 1.00 0.00 N ATOM 0 H LYS A 33 -3.769 19.218 -25.710 1.00 0.00 H new ATOM 0 HA LYS A 33 -3.726 16.393 -25.452 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.679 17.630 -26.081 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.887 18.252 -27.515 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.080 15.264 -27.182 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -6.533 16.145 -27.610 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.297 17.143 -29.584 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -3.907 16.156 -29.177 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.306 14.090 -29.418 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.694 15.078 -29.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -5.617 14.223 -31.792 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -5.496 15.917 -31.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -4.151 14.959 -31.353 1.00 0.00 H new ATOM 517 N VAL A 34 -1.883 17.519 -27.945 1.00 0.00 N ATOM 518 CA VAL A 34 -0.723 17.131 -28.747 1.00 0.00 C ATOM 519 C VAL A 34 0.371 16.562 -27.840 1.00 0.00 C ATOM 520 O VAL A 34 0.899 15.490 -28.122 1.00 0.00 O ATOM 521 CB VAL A 34 -0.208 18.309 -29.597 1.00 0.00 C ATOM 522 CG1 VAL A 34 1.180 18.029 -30.199 1.00 0.00 C ATOM 523 CG2 VAL A 34 -1.198 18.613 -30.729 1.00 0.00 C ATOM 0 H VAL A 34 -2.187 18.483 -28.082 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.026 16.351 -29.446 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.119 19.169 -28.933 1.00 0.00 H new ATOM 0 HG11 VAL A 34 1.500 18.887 -30.789 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.896 17.853 -29.396 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.128 17.148 -30.839 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.825 19.447 -31.324 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.306 17.734 -31.364 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.167 18.875 -30.304 1.00 0.00 H new ATOM 533 N ALA A 35 0.705 17.265 -26.755 1.00 0.00 N ATOM 534 CA ALA A 35 1.716 16.825 -25.805 1.00 0.00 C ATOM 535 C ALA A 35 1.428 15.404 -25.325 1.00 0.00 C ATOM 536 O ALA A 35 2.269 14.522 -25.464 1.00 0.00 O ATOM 537 CB ALA A 35 1.800 17.794 -24.625 1.00 0.00 C ATOM 0 H ALA A 35 0.277 18.159 -26.514 1.00 0.00 H new ATOM 0 HA ALA A 35 2.682 16.818 -26.310 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.561 17.449 -23.925 1.00 0.00 H new ATOM 0 HB2 ALA A 35 2.064 18.787 -24.988 1.00 0.00 H new ATOM 0 HB3 ALA A 35 0.835 17.837 -24.120 1.00 0.00 H new ATOM 543 N MET A 36 0.233 15.175 -24.777 1.00 0.00 N ATOM 544 CA MET A 36 -0.197 13.856 -24.331 1.00 0.00 C ATOM 545 C MET A 36 -0.053 12.821 -25.444 1.00 0.00 C ATOM 546 O MET A 36 0.509 11.749 -25.223 1.00 0.00 O ATOM 547 CB MET A 36 -1.637 13.926 -23.811 1.00 0.00 C ATOM 548 CG MET A 36 -1.628 14.108 -22.290 1.00 0.00 C ATOM 549 SD MET A 36 -3.241 14.415 -21.539 1.00 0.00 S ATOM 550 CE MET A 36 -3.552 16.056 -22.215 1.00 0.00 C ATOM 0 H MET A 36 -0.464 15.905 -24.631 1.00 0.00 H new ATOM 0 HA MET A 36 0.449 13.536 -23.514 1.00 0.00 H new ATOM 0 HB2 MET A 36 -2.165 14.755 -24.283 1.00 0.00 H new ATOM 0 HB3 MET A 36 -2.174 13.015 -24.075 1.00 0.00 H new ATOM 0 HG2 MET A 36 -1.199 13.215 -21.836 1.00 0.00 H new ATOM 0 HG3 MET A 36 -0.967 14.939 -22.044 1.00 0.00 H new ATOM 0 HE1 MET A 36 -4.342 16.542 -21.642 1.00 0.00 H new ATOM 0 HE2 MET A 36 -2.642 16.653 -22.155 1.00 0.00 H new ATOM 0 HE3 MET A 36 -3.861 15.968 -23.257 1.00 0.00 H new ATOM 560 N ARG A 37 -0.564 13.132 -26.635 1.00 0.00 N ATOM 561 CA ARG A 37 -0.497 12.211 -27.757 1.00 0.00 C ATOM 562 C ARG A 37 0.960 11.848 -28.065 1.00 0.00 C ATOM 563 O ARG A 37 1.294 10.674 -28.191 1.00 0.00 O ATOM 564 CB ARG A 37 -1.219 12.824 -28.966 1.00 0.00 C ATOM 565 CG ARG A 37 -1.429 11.855 -30.139 1.00 0.00 C ATOM 566 CD ARG A 37 -2.563 10.847 -29.898 1.00 0.00 C ATOM 567 NE ARG A 37 -2.192 9.786 -28.950 1.00 0.00 N ATOM 568 CZ ARG A 37 -1.392 8.742 -29.209 1.00 0.00 C ATOM 569 NH1 ARG A 37 -0.878 8.556 -30.429 1.00 0.00 N ATOM 570 NH2 ARG A 37 -1.115 7.888 -28.221 1.00 0.00 N ATOM 0 H ARG A 37 -1.028 14.016 -26.843 1.00 0.00 H new ATOM 0 HA ARG A 37 -1.005 11.280 -27.504 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.190 13.199 -28.642 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -0.647 13.683 -29.318 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.647 12.428 -31.040 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.502 11.312 -30.323 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -3.438 11.376 -29.520 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -2.849 10.395 -30.848 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.579 9.850 -28.008 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -1.093 9.213 -31.179 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.271 7.757 -30.610 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.510 8.037 -27.292 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -0.509 7.086 -28.395 1.00 0.00 H new ATOM 584 N ALA A 38 1.837 12.851 -28.151 1.00 0.00 N ATOM 585 CA ALA A 38 3.261 12.665 -28.401 1.00 0.00 C ATOM 586 C ALA A 38 3.912 11.822 -27.301 1.00 0.00 C ATOM 587 O ALA A 38 4.689 10.916 -27.590 1.00 0.00 O ATOM 588 CB ALA A 38 3.945 14.030 -28.526 1.00 0.00 C ATOM 0 H ALA A 38 1.569 13.830 -28.047 1.00 0.00 H new ATOM 0 HA ALA A 38 3.383 12.122 -29.338 1.00 0.00 H new ATOM 0 HB1 ALA A 38 5.009 13.888 -28.713 1.00 0.00 H new ATOM 0 HB2 ALA A 38 3.502 14.584 -29.353 1.00 0.00 H new ATOM 0 HB3 ALA A 38 3.811 14.590 -27.601 1.00 0.00 H new ATOM 594 N LEU A 39 3.591 12.115 -26.038 1.00 0.00 N ATOM 595 CA LEU A 39 4.033 11.331 -24.891 1.00 0.00 C ATOM 596 C LEU A 39 3.531 9.884 -24.992 1.00 0.00 C ATOM 597 O LEU A 39 4.200 8.972 -24.513 1.00 0.00 O ATOM 598 CB LEU A 39 3.550 11.992 -23.591 1.00 0.00 C ATOM 599 CG LEU A 39 4.262 13.314 -23.254 1.00 0.00 C ATOM 600 CD1 LEU A 39 3.422 14.115 -22.247 1.00 0.00 C ATOM 601 CD2 LEU A 39 5.654 13.058 -22.663 1.00 0.00 C ATOM 0 H LEU A 39 3.010 12.914 -25.785 1.00 0.00 H new ATOM 0 HA LEU A 39 5.123 11.302 -24.884 1.00 0.00 H new ATOM 0 HB2 LEU A 39 2.479 12.178 -23.667 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.694 11.294 -22.766 1.00 0.00 H new ATOM 0 HG LEU A 39 4.376 13.881 -24.178 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.930 15.050 -22.012 1.00 0.00 H new ATOM 0 HD12 LEU A 39 2.445 14.332 -22.679 1.00 0.00 H new ATOM 0 HD13 LEU A 39 3.294 13.532 -21.335 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.133 14.010 -22.435 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.559 12.471 -21.749 1.00 0.00 H new ATOM 0 HD23 LEU A 39 6.260 12.510 -23.384 1.00 0.00 H new ATOM 613 N GLY A 40 2.366 9.676 -25.617 1.00 0.00 N ATOM 614 CA GLY A 40 1.828 8.361 -25.953 1.00 0.00 C ATOM 615 C GLY A 40 0.482 8.081 -25.283 1.00 0.00 C ATOM 616 O GLY A 40 -0.025 6.965 -25.375 1.00 0.00 O ATOM 0 H GLY A 40 1.758 10.441 -25.909 1.00 0.00 H new ATOM 0 HA2 GLY A 40 1.713 8.286 -27.034 1.00 0.00 H new ATOM 0 HA3 GLY A 40 2.543 7.594 -25.655 1.00 0.00 H new ATOM 620 N PHE A 41 -0.114 9.075 -24.621 1.00 0.00 N ATOM 621 CA PHE A 41 -1.386 8.913 -23.930 1.00 0.00 C ATOM 622 C PHE A 41 -2.535 8.791 -24.930 1.00 0.00 C ATOM 623 O PHE A 41 -2.380 9.076 -26.116 1.00 0.00 O ATOM 624 CB PHE A 41 -1.604 10.091 -22.970 1.00 0.00 C ATOM 625 CG PHE A 41 -0.739 10.010 -21.728 1.00 0.00 C ATOM 626 CD1 PHE A 41 -1.110 9.157 -20.672 1.00 0.00 C ATOM 627 CD2 PHE A 41 0.501 10.673 -21.688 1.00 0.00 C ATOM 628 CE1 PHE A 41 -0.236 8.956 -19.589 1.00 0.00 C ATOM 629 CE2 PHE A 41 1.373 10.475 -20.604 1.00 0.00 C ATOM 630 CZ PHE A 41 1.012 9.604 -19.562 1.00 0.00 C ATOM 0 H PHE A 41 0.276 10.015 -24.551 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.362 7.991 -23.349 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.392 11.023 -23.494 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -2.653 10.123 -22.674 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.067 8.656 -20.693 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.784 11.336 -22.492 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.523 8.304 -18.778 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.321 10.992 -20.572 1.00 0.00 H new ATOM 0 HZ PHE A 41 1.692 9.432 -18.741 1.00 0.00 H new ATOM 640 N GLU A 42 -3.699 8.379 -24.427 1.00 0.00 N ATOM 641 CA GLU A 42 -4.949 8.264 -25.158 1.00 0.00 C ATOM 642 C GLU A 42 -5.870 9.425 -24.746 1.00 0.00 C ATOM 643 O GLU A 42 -6.646 9.274 -23.803 1.00 0.00 O ATOM 644 CB GLU A 42 -5.567 6.869 -24.923 1.00 0.00 C ATOM 645 CG GLU A 42 -5.675 6.372 -23.468 1.00 0.00 C ATOM 646 CD GLU A 42 -4.340 5.942 -22.864 1.00 0.00 C ATOM 647 OE1 GLU A 42 -3.944 4.784 -23.114 1.00 0.00 O ATOM 648 OE2 GLU A 42 -3.732 6.796 -22.177 1.00 0.00 O ATOM 0 H GLU A 42 -3.794 8.104 -23.449 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.788 8.345 -26.233 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -6.568 6.868 -25.353 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -4.979 6.142 -25.483 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.103 7.164 -22.854 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.368 5.531 -23.431 1.00 0.00 H new ATOM 655 N PRO A 43 -5.784 10.602 -25.392 1.00 0.00 N ATOM 656 CA PRO A 43 -6.510 11.787 -24.960 1.00 0.00 C ATOM 657 C PRO A 43 -8.019 11.688 -25.230 1.00 0.00 C ATOM 658 O PRO A 43 -8.553 12.358 -26.112 1.00 0.00 O ATOM 659 CB PRO A 43 -5.837 12.966 -25.670 1.00 0.00 C ATOM 660 CG PRO A 43 -5.253 12.336 -26.927 1.00 0.00 C ATOM 661 CD PRO A 43 -4.837 10.951 -26.439 1.00 0.00 C ATOM 0 HA PRO A 43 -6.459 11.913 -23.879 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -6.553 13.752 -25.910 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -5.063 13.419 -25.051 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -5.987 12.280 -27.731 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -4.404 12.904 -27.309 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -4.866 10.225 -27.251 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -3.816 10.961 -26.056 1.00 0.00 H new ATOM 669 N LYS A 44 -8.720 10.878 -24.433 1.00 0.00 N ATOM 670 CA LYS A 44 -10.171 10.791 -24.452 1.00 0.00 C ATOM 671 C LYS A 44 -10.763 12.136 -24.023 1.00 0.00 C ATOM 672 O LYS A 44 -10.579 12.556 -22.880 1.00 0.00 O ATOM 673 CB LYS A 44 -10.651 9.662 -23.530 1.00 0.00 C ATOM 674 CG LYS A 44 -10.209 8.287 -24.052 1.00 0.00 C ATOM 675 CD LYS A 44 -10.479 7.138 -23.068 1.00 0.00 C ATOM 676 CE LYS A 44 -11.963 6.834 -22.817 1.00 0.00 C ATOM 677 NZ LYS A 44 -12.572 7.735 -21.822 1.00 0.00 N ATOM 0 H LYS A 44 -8.284 10.259 -23.750 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.509 10.562 -25.463 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -10.255 9.816 -22.526 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.738 9.691 -23.452 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.726 8.080 -24.989 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.143 8.319 -24.276 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -9.998 6.236 -23.445 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.006 7.377 -22.115 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -12.510 6.916 -23.757 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.065 5.803 -22.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -13.238 7.199 -21.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -11.827 8.144 -21.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -13.081 8.499 -22.311 1.00 0.00 H new ATOM 691 N LYS A 45 -11.470 12.795 -24.947 1.00 0.00 N ATOM 692 CA LYS A 45 -12.028 14.134 -24.794 1.00 0.00 C ATOM 693 C LYS A 45 -12.643 14.353 -23.410 1.00 0.00 C ATOM 694 O LYS A 45 -12.369 15.360 -22.766 1.00 0.00 O ATOM 695 CB LYS A 45 -13.063 14.394 -25.897 1.00 0.00 C ATOM 696 CG LYS A 45 -12.418 14.429 -27.289 1.00 0.00 C ATOM 697 CD LYS A 45 -13.472 14.756 -28.352 1.00 0.00 C ATOM 698 CE LYS A 45 -12.831 14.794 -29.743 1.00 0.00 C ATOM 699 NZ LYS A 45 -13.828 15.094 -30.785 1.00 0.00 N ATOM 0 H LYS A 45 -11.675 12.388 -25.860 1.00 0.00 H new ATOM 0 HA LYS A 45 -11.210 14.848 -24.889 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.826 13.616 -25.870 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -13.567 15.342 -25.706 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -11.624 15.176 -27.311 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -11.956 13.466 -27.508 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.265 14.008 -28.330 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -13.935 15.718 -28.131 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.044 15.548 -29.762 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -12.359 13.835 -29.954 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -13.363 15.113 -31.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.565 14.361 -30.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.260 16.021 -30.595 1.00 0.00 H new ATOM 713 N GLU A 46 -13.467 13.409 -22.953 1.00 0.00 N ATOM 714 CA GLU A 46 -14.125 13.472 -21.654 1.00 0.00 C ATOM 715 C GLU A 46 -13.101 13.732 -20.541 1.00 0.00 C ATOM 716 O GLU A 46 -13.216 14.688 -19.775 1.00 0.00 O ATOM 717 CB GLU A 46 -14.911 12.176 -21.367 1.00 0.00 C ATOM 718 CG GLU A 46 -15.686 11.604 -22.566 1.00 0.00 C ATOM 719 CD GLU A 46 -14.832 10.645 -23.395 1.00 0.00 C ATOM 720 OE1 GLU A 46 -14.767 9.458 -23.009 1.00 0.00 O ATOM 721 OE2 GLU A 46 -14.222 11.129 -24.373 1.00 0.00 O ATOM 0 H GLU A 46 -13.697 12.569 -23.484 1.00 0.00 H new ATOM 0 HA GLU A 46 -14.832 14.301 -21.677 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -14.214 11.418 -21.010 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -15.615 12.368 -20.557 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -16.574 11.082 -22.208 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -16.030 12.422 -23.199 1.00 0.00 H new ATOM 728 N GLU A 47 -12.095 12.858 -20.464 1.00 0.00 N ATOM 729 CA GLU A 47 -11.070 12.913 -19.436 1.00 0.00 C ATOM 730 C GLU A 47 -10.235 14.176 -19.615 1.00 0.00 C ATOM 731 O GLU A 47 -9.942 14.872 -18.645 1.00 0.00 O ATOM 732 CB GLU A 47 -10.190 11.658 -19.502 1.00 0.00 C ATOM 733 CG GLU A 47 -11.002 10.384 -19.225 1.00 0.00 C ATOM 734 CD GLU A 47 -10.135 9.127 -19.249 1.00 0.00 C ATOM 735 OE1 GLU A 47 -8.962 9.228 -18.827 1.00 0.00 O ATOM 736 OE2 GLU A 47 -10.665 8.084 -19.687 1.00 0.00 O ATOM 0 H GLU A 47 -11.974 12.088 -21.122 1.00 0.00 H new ATOM 0 HA GLU A 47 -11.541 12.944 -18.453 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.727 11.589 -20.486 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.382 11.741 -18.775 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.487 10.469 -18.253 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -11.793 10.291 -19.969 1.00 0.00 H new ATOM 743 N ILE A 48 -9.862 14.472 -20.862 1.00 0.00 N ATOM 744 CA ILE A 48 -9.082 15.648 -21.209 1.00 0.00 C ATOM 745 C ILE A 48 -9.761 16.911 -20.684 1.00 0.00 C ATOM 746 O ILE A 48 -9.135 17.691 -19.972 1.00 0.00 O ATOM 747 CB ILE A 48 -8.862 15.680 -22.733 1.00 0.00 C ATOM 748 CG1 ILE A 48 -7.927 14.545 -23.178 1.00 0.00 C ATOM 749 CG2 ILE A 48 -8.335 17.032 -23.231 1.00 0.00 C ATOM 750 CD1 ILE A 48 -6.457 14.813 -22.848 1.00 0.00 C ATOM 0 H ILE A 48 -10.100 13.890 -21.665 1.00 0.00 H new ATOM 0 HA ILE A 48 -8.102 15.603 -20.734 1.00 0.00 H new ATOM 0 HB ILE A 48 -9.842 15.533 -23.187 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -8.238 13.617 -22.698 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -8.031 14.397 -24.253 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.200 16.994 -24.312 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -9.051 17.815 -22.982 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -7.380 17.249 -22.753 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.849 13.974 -23.188 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.132 15.724 -23.350 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.342 14.932 -21.771 1.00 0.00 H new ATOM 762 N LYS A 49 -11.036 17.113 -21.024 1.00 0.00 N ATOM 763 CA LYS A 49 -11.797 18.273 -20.588 1.00 0.00 C ATOM 764 C LYS A 49 -11.763 18.391 -19.065 1.00 0.00 C ATOM 765 O LYS A 49 -11.418 19.452 -18.542 1.00 0.00 O ATOM 766 CB LYS A 49 -13.237 18.184 -21.110 1.00 0.00 C ATOM 767 CG LYS A 49 -13.290 18.439 -22.623 1.00 0.00 C ATOM 768 CD LYS A 49 -14.642 18.037 -23.228 1.00 0.00 C ATOM 769 CE LYS A 49 -15.804 18.851 -22.645 1.00 0.00 C ATOM 770 NZ LYS A 49 -17.073 18.531 -23.323 1.00 0.00 N ATOM 0 H LYS A 49 -11.567 16.470 -21.612 1.00 0.00 H new ATOM 0 HA LYS A 49 -11.342 19.174 -21.001 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -13.648 17.199 -20.889 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -13.861 18.913 -20.593 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -13.105 19.495 -22.819 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -12.493 17.879 -23.113 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -14.610 18.176 -24.309 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -14.818 16.976 -23.048 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -15.897 18.645 -21.579 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -15.593 19.915 -22.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -17.841 19.096 -22.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -16.990 18.751 -24.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -17.285 17.520 -23.204 1.00 0.00 H new ATOM 784 N LYS A 50 -12.112 17.312 -18.357 1.00 0.00 N ATOM 785 CA LYS A 50 -12.095 17.307 -16.899 1.00 0.00 C ATOM 786 C LYS A 50 -10.713 17.710 -16.372 1.00 0.00 C ATOM 787 O LYS A 50 -10.590 18.711 -15.663 1.00 0.00 O ATOM 788 CB LYS A 50 -12.522 15.930 -16.370 1.00 0.00 C ATOM 789 CG LYS A 50 -14.008 15.617 -16.612 1.00 0.00 C ATOM 790 CD LYS A 50 -14.997 16.556 -15.900 1.00 0.00 C ATOM 791 CE LYS A 50 -14.752 16.641 -14.388 1.00 0.00 C ATOM 792 NZ LYS A 50 -15.813 17.413 -13.718 1.00 0.00 N ATOM 0 H LYS A 50 -12.410 16.431 -18.776 1.00 0.00 H new ATOM 0 HA LYS A 50 -12.810 18.044 -16.535 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -11.914 15.161 -16.847 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -12.317 15.880 -15.301 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -14.202 15.656 -17.684 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -14.205 14.595 -16.289 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.920 17.553 -16.333 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -16.014 16.209 -16.080 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -14.709 15.636 -13.967 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -13.785 17.108 -14.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -15.621 17.454 -12.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -15.837 18.378 -14.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -16.732 16.953 -13.879 1.00 0.00 H new ATOM 806 N MET A 51 -9.676 16.946 -16.726 1.00 0.00 N ATOM 807 CA MET A 51 -8.324 17.170 -16.249 1.00 0.00 C ATOM 808 C MET A 51 -7.888 18.610 -16.526 1.00 0.00 C ATOM 809 O MET A 51 -7.479 19.329 -15.615 1.00 0.00 O ATOM 810 CB MET A 51 -7.380 16.164 -16.920 1.00 0.00 C ATOM 811 CG MET A 51 -6.022 16.160 -16.214 1.00 0.00 C ATOM 812 SD MET A 51 -4.694 15.244 -17.037 1.00 0.00 S ATOM 813 CE MET A 51 -4.401 16.302 -18.472 1.00 0.00 C ATOM 0 H MET A 51 -9.760 16.150 -17.358 1.00 0.00 H new ATOM 0 HA MET A 51 -8.288 17.021 -15.170 1.00 0.00 H new ATOM 0 HB2 MET A 51 -7.818 15.166 -16.888 1.00 0.00 H new ATOM 0 HB3 MET A 51 -7.251 16.421 -17.971 1.00 0.00 H new ATOM 0 HG2 MET A 51 -5.698 17.193 -16.088 1.00 0.00 H new ATOM 0 HG3 MET A 51 -6.157 15.745 -15.215 1.00 0.00 H new ATOM 0 HE1 MET A 51 -3.497 15.976 -18.986 1.00 0.00 H new ATOM 0 HE2 MET A 51 -5.249 16.235 -19.153 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.280 17.334 -18.144 1.00 0.00 H new ATOM 823 N ILE A 52 -7.975 19.033 -17.789 1.00 0.00 N ATOM 824 CA ILE A 52 -7.580 20.374 -18.181 1.00 0.00 C ATOM 825 C ILE A 52 -8.343 21.388 -17.340 1.00 0.00 C ATOM 826 O ILE A 52 -7.713 22.260 -16.759 1.00 0.00 O ATOM 827 CB ILE A 52 -7.744 20.584 -19.699 1.00 0.00 C ATOM 828 CG1 ILE A 52 -6.660 19.749 -20.409 1.00 0.00 C ATOM 829 CG2 ILE A 52 -7.617 22.069 -20.085 1.00 0.00 C ATOM 830 CD1 ILE A 52 -6.694 19.879 -21.931 1.00 0.00 C ATOM 0 H ILE A 52 -8.319 18.457 -18.557 1.00 0.00 H new ATOM 0 HA ILE A 52 -6.518 20.520 -17.985 1.00 0.00 H new ATOM 0 HB ILE A 52 -8.740 20.264 -20.005 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.679 20.058 -20.047 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -6.784 18.700 -20.138 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -7.738 22.176 -21.163 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -8.388 22.645 -19.574 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -6.634 22.438 -19.792 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.905 19.266 -22.366 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -7.662 19.543 -22.303 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -6.540 20.921 -22.211 1.00 0.00 H new ATOM 842 N SER A 53 -9.669 21.283 -17.232 1.00 0.00 N ATOM 843 CA SER A 53 -10.437 22.241 -16.446 1.00 0.00 C ATOM 844 C SER A 53 -9.967 22.292 -14.991 1.00 0.00 C ATOM 845 O SER A 53 -9.810 23.377 -14.436 1.00 0.00 O ATOM 846 CB SER A 53 -11.934 21.930 -16.528 1.00 0.00 C ATOM 847 OG SER A 53 -12.359 21.936 -17.875 1.00 0.00 O ATOM 0 H SER A 53 -10.225 20.552 -17.675 1.00 0.00 H new ATOM 0 HA SER A 53 -10.265 23.229 -16.874 1.00 0.00 H new ATOM 0 HB2 SER A 53 -12.136 20.957 -16.079 1.00 0.00 H new ATOM 0 HB3 SER A 53 -12.498 22.668 -15.957 1.00 0.00 H new ATOM 0 HG SER A 53 -12.101 21.093 -18.303 1.00 0.00 H new ATOM 853 N GLU A 54 -9.729 21.131 -14.375 1.00 0.00 N ATOM 854 CA GLU A 54 -9.218 21.065 -13.012 1.00 0.00 C ATOM 855 C GLU A 54 -7.893 21.828 -12.889 1.00 0.00 C ATOM 856 O GLU A 54 -7.712 22.607 -11.955 1.00 0.00 O ATOM 857 CB GLU A 54 -9.065 19.600 -12.586 1.00 0.00 C ATOM 858 CG GLU A 54 -10.432 18.914 -12.426 1.00 0.00 C ATOM 859 CD GLU A 54 -10.310 17.393 -12.436 1.00 0.00 C ATOM 860 OE1 GLU A 54 -9.329 16.894 -11.844 1.00 0.00 O ATOM 861 OE2 GLU A 54 -11.204 16.755 -13.033 1.00 0.00 O ATOM 0 H GLU A 54 -9.885 20.220 -14.806 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.930 21.545 -12.341 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.472 19.064 -13.328 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -8.519 19.549 -11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -10.892 19.235 -11.492 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -11.094 19.230 -13.232 1.00 0.00 H new ATOM 868 N ILE A 55 -6.958 21.601 -13.817 1.00 0.00 N ATOM 869 CA ILE A 55 -5.641 22.230 -13.761 1.00 0.00 C ATOM 870 C ILE A 55 -5.704 23.715 -14.162 1.00 0.00 C ATOM 871 O ILE A 55 -4.976 24.544 -13.617 1.00 0.00 O ATOM 872 CB ILE A 55 -4.660 21.443 -14.658 1.00 0.00 C ATOM 873 CG1 ILE A 55 -4.506 19.963 -14.246 1.00 0.00 C ATOM 874 CG2 ILE A 55 -3.277 22.105 -14.711 1.00 0.00 C ATOM 875 CD1 ILE A 55 -3.810 19.738 -12.899 1.00 0.00 C ATOM 0 H ILE A 55 -7.093 20.983 -14.618 1.00 0.00 H new ATOM 0 HA ILE A 55 -5.281 22.201 -12.732 1.00 0.00 H new ATOM 0 HB ILE A 55 -5.108 21.465 -15.652 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -5.495 19.507 -14.208 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -3.944 19.442 -15.021 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -2.618 21.520 -15.352 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -3.372 23.114 -15.112 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -2.857 22.152 -13.706 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -3.748 18.669 -12.696 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -2.805 20.160 -12.934 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.381 20.225 -12.109 1.00 0.00 H new ATOM 887 N ASP A 56 -6.569 24.072 -15.114 1.00 0.00 N ATOM 888 CA ASP A 56 -6.611 25.375 -15.770 1.00 0.00 C ATOM 889 C ASP A 56 -7.324 26.426 -14.910 1.00 0.00 C ATOM 890 O ASP A 56 -8.152 27.186 -15.401 1.00 0.00 O ATOM 891 CB ASP A 56 -7.293 25.173 -17.131 1.00 0.00 C ATOM 892 CG ASP A 56 -7.293 26.410 -18.015 1.00 0.00 C ATOM 893 OD1 ASP A 56 -6.191 26.803 -18.453 1.00 0.00 O ATOM 894 OD2 ASP A 56 -8.400 26.926 -18.278 1.00 0.00 O ATOM 0 H ASP A 56 -7.286 23.435 -15.460 1.00 0.00 H new ATOM 0 HA ASP A 56 -5.603 25.764 -15.912 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.792 24.362 -17.660 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.323 24.858 -16.966 1.00 0.00 H new ATOM 899 N LYS A 57 -6.990 26.495 -13.620 1.00 0.00 N ATOM 900 CA LYS A 57 -7.676 27.339 -12.663 1.00 0.00 C ATOM 901 C LYS A 57 -7.525 28.814 -13.044 1.00 0.00 C ATOM 902 O LYS A 57 -8.504 29.555 -13.091 1.00 0.00 O ATOM 903 CB LYS A 57 -7.097 27.015 -11.282 1.00 0.00 C ATOM 904 CG LYS A 57 -7.640 27.863 -10.130 1.00 0.00 C ATOM 905 CD LYS A 57 -9.040 27.473 -9.622 1.00 0.00 C ATOM 906 CE LYS A 57 -10.247 27.957 -10.441 1.00 0.00 C ATOM 907 NZ LYS A 57 -10.171 29.390 -10.777 1.00 0.00 N ATOM 0 H LYS A 57 -6.225 25.956 -13.214 1.00 0.00 H new ATOM 0 HA LYS A 57 -8.749 27.148 -12.654 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -7.292 25.965 -11.062 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.015 27.137 -11.322 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -6.940 27.803 -9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.666 28.905 -10.450 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -9.087 26.386 -9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -9.148 27.852 -8.606 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -10.313 27.376 -11.361 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -11.161 27.768 -9.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.125 29.749 -10.984 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -9.770 29.914 -9.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -9.564 29.519 -11.612 1.00 0.00 H new ATOM 921 N ASP A 58 -6.284 29.237 -13.288 1.00 0.00 N ATOM 922 CA ASP A 58 -5.916 30.585 -13.710 1.00 0.00 C ATOM 923 C ASP A 58 -5.691 30.620 -15.222 1.00 0.00 C ATOM 924 O ASP A 58 -5.926 31.636 -15.871 1.00 0.00 O ATOM 925 CB ASP A 58 -4.639 31.016 -12.971 1.00 0.00 C ATOM 926 CG ASP A 58 -3.428 30.158 -13.338 1.00 0.00 C ATOM 927 OD1 ASP A 58 -3.567 28.916 -13.254 1.00 0.00 O ATOM 928 OD2 ASP A 58 -2.396 30.752 -13.713 1.00 0.00 O ATOM 0 H ASP A 58 -5.476 28.622 -13.192 1.00 0.00 H new ATOM 0 HA ASP A 58 -6.724 31.275 -13.466 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -4.424 32.059 -13.203 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -4.809 30.957 -11.896 1.00 0.00 H new ATOM 933 N GLY A 59 -5.215 29.498 -15.770 1.00 0.00 N ATOM 934 CA GLY A 59 -4.730 29.354 -17.131 1.00 0.00 C ATOM 935 C GLY A 59 -5.694 29.829 -18.225 1.00 0.00 C ATOM 936 O GLY A 59 -5.256 30.198 -19.318 1.00 0.00 O ATOM 0 H GLY A 59 -5.158 28.626 -15.243 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.796 29.908 -17.227 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -4.497 28.304 -17.307 1.00 0.00 H new ATOM 940 N SER A 60 -7.003 29.817 -17.950 1.00 0.00 N ATOM 941 CA SER A 60 -8.028 30.379 -18.826 1.00 0.00 C ATOM 942 C SER A 60 -7.882 29.884 -20.269 1.00 0.00 C ATOM 943 O SER A 60 -7.704 30.674 -21.193 1.00 0.00 O ATOM 944 CB SER A 60 -7.987 31.911 -18.748 1.00 0.00 C ATOM 945 OG SER A 60 -8.141 32.334 -17.407 1.00 0.00 O ATOM 0 H SER A 60 -7.383 29.408 -17.096 1.00 0.00 H new ATOM 0 HA SER A 60 -9.003 30.035 -18.481 1.00 0.00 H new ATOM 0 HB2 SER A 60 -7.041 32.278 -19.147 1.00 0.00 H new ATOM 0 HB3 SER A 60 -8.779 32.336 -19.365 1.00 0.00 H new ATOM 0 HG SER A 60 -7.343 32.089 -16.893 1.00 0.00 H new ATOM 951 N GLY A 61 -7.944 28.565 -20.452 1.00 0.00 N ATOM 952 CA GLY A 61 -7.767 27.901 -21.733 1.00 0.00 C ATOM 953 C GLY A 61 -6.323 27.447 -21.956 1.00 0.00 C ATOM 954 O GLY A 61 -6.096 26.523 -22.742 1.00 0.00 O ATOM 0 H GLY A 61 -8.124 27.915 -19.687 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -8.430 27.037 -21.787 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -8.061 28.579 -22.535 1.00 0.00 H new ATOM 958 N THR A 62 -5.351 28.090 -21.292 1.00 0.00 N ATOM 959 CA THR A 62 -3.938 27.848 -21.528 1.00 0.00 C ATOM 960 C THR A 62 -3.193 27.492 -20.238 1.00 0.00 C ATOM 961 O THR A 62 -3.163 28.270 -19.291 1.00 0.00 O ATOM 962 CB THR A 62 -3.313 29.061 -22.223 1.00 0.00 C ATOM 963 OG1 THR A 62 -3.240 30.194 -21.370 1.00 0.00 O ATOM 964 CG2 THR A 62 -4.058 29.487 -23.490 1.00 0.00 C ATOM 0 H THR A 62 -5.534 28.793 -20.576 1.00 0.00 H new ATOM 0 HA THR A 62 -3.845 26.983 -22.184 1.00 0.00 H new ATOM 0 HB THR A 62 -2.312 28.724 -22.492 1.00 0.00 H new ATOM 0 HG1 THR A 62 -2.488 30.760 -21.642 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.561 30.351 -23.931 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.059 28.665 -24.206 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.085 29.749 -23.237 1.00 0.00 H new ATOM 972 N ILE A 63 -2.541 26.333 -20.209 1.00 0.00 N ATOM 973 CA ILE A 63 -1.753 25.883 -19.075 1.00 0.00 C ATOM 974 C ILE A 63 -0.441 26.676 -19.069 1.00 0.00 C ATOM 975 O ILE A 63 0.428 26.446 -19.912 1.00 0.00 O ATOM 976 CB ILE A 63 -1.515 24.363 -19.194 1.00 0.00 C ATOM 977 CG1 ILE A 63 -2.810 23.564 -19.426 1.00 0.00 C ATOM 978 CG2 ILE A 63 -0.771 23.806 -17.975 1.00 0.00 C ATOM 979 CD1 ILE A 63 -3.936 23.881 -18.435 1.00 0.00 C ATOM 0 H ILE A 63 -2.548 25.673 -20.987 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.270 26.058 -18.131 1.00 0.00 H new ATOM 0 HB ILE A 63 -0.890 24.237 -20.078 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -3.167 23.759 -20.437 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -2.581 22.500 -19.369 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.623 22.733 -18.098 1.00 0.00 H new ATOM 0 HG22 ILE A 63 0.198 24.298 -17.884 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.358 23.991 -17.075 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -4.810 23.274 -18.671 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.602 23.658 -17.422 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.197 24.937 -18.507 1.00 0.00 H new ATOM 991 N ASP A 64 -0.289 27.628 -18.143 1.00 0.00 N ATOM 992 CA ASP A 64 0.983 28.318 -17.961 1.00 0.00 C ATOM 993 C ASP A 64 2.015 27.357 -17.362 1.00 0.00 C ATOM 994 O ASP A 64 1.668 26.338 -16.757 1.00 0.00 O ATOM 995 CB ASP A 64 0.804 29.598 -17.125 1.00 0.00 C ATOM 996 CG ASP A 64 2.136 30.208 -16.694 1.00 0.00 C ATOM 997 OD1 ASP A 64 2.708 30.955 -17.514 1.00 0.00 O ATOM 998 OD2 ASP A 64 2.591 29.857 -15.582 1.00 0.00 O ATOM 0 H ASP A 64 -1.030 27.934 -17.512 1.00 0.00 H new ATOM 0 HA ASP A 64 1.361 28.640 -18.931 1.00 0.00 H new ATOM 0 HB2 ASP A 64 0.243 30.331 -17.705 1.00 0.00 H new ATOM 0 HB3 ASP A 64 0.210 29.370 -16.240 1.00 0.00 H new ATOM 1003 N PHE A 65 3.294 27.694 -17.548 1.00 0.00 N ATOM 1004 CA PHE A 65 4.418 26.914 -17.063 1.00 0.00 C ATOM 1005 C PHE A 65 4.260 26.505 -15.600 1.00 0.00 C ATOM 1006 O PHE A 65 4.579 25.372 -15.267 1.00 0.00 O ATOM 1007 CB PHE A 65 5.733 27.664 -17.298 1.00 0.00 C ATOM 1008 CG PHE A 65 6.963 26.867 -16.902 1.00 0.00 C ATOM 1009 CD1 PHE A 65 7.231 25.636 -17.529 1.00 0.00 C ATOM 1010 CD2 PHE A 65 7.781 27.300 -15.842 1.00 0.00 C ATOM 1011 CE1 PHE A 65 8.315 24.848 -17.107 1.00 0.00 C ATOM 1012 CE2 PHE A 65 8.879 26.520 -15.433 1.00 0.00 C ATOM 1013 CZ PHE A 65 9.145 25.293 -16.064 1.00 0.00 C ATOM 0 H PHE A 65 3.575 28.536 -18.051 1.00 0.00 H new ATOM 0 HA PHE A 65 4.442 25.988 -17.637 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.807 27.931 -18.352 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.716 28.596 -16.733 1.00 0.00 H new ATOM 0 HD1 PHE A 65 6.601 25.296 -18.338 1.00 0.00 H new ATOM 0 HD2 PHE A 65 7.566 28.232 -15.341 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.511 23.899 -17.585 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.518 26.865 -14.633 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.986 24.693 -15.748 1.00 0.00 H new ATOM 1023 N GLU A 66 3.753 27.378 -14.725 1.00 0.00 N ATOM 1024 CA GLU A 66 3.594 27.017 -13.321 1.00 0.00 C ATOM 1025 C GLU A 66 2.578 25.884 -13.138 1.00 0.00 C ATOM 1026 O GLU A 66 2.864 24.910 -12.440 1.00 0.00 O ATOM 1027 CB GLU A 66 3.264 28.256 -12.481 1.00 0.00 C ATOM 1028 CG GLU A 66 4.442 29.243 -12.472 1.00 0.00 C ATOM 1029 CD GLU A 66 5.699 28.650 -11.841 1.00 0.00 C ATOM 1030 OE1 GLU A 66 5.671 28.444 -10.608 1.00 0.00 O ATOM 1031 OE2 GLU A 66 6.655 28.395 -12.606 1.00 0.00 O ATOM 0 H GLU A 66 3.451 28.323 -14.962 1.00 0.00 H new ATOM 0 HA GLU A 66 4.544 26.626 -12.956 1.00 0.00 H new ATOM 0 HB2 GLU A 66 2.377 28.746 -12.882 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.028 27.956 -11.460 1.00 0.00 H new ATOM 0 HG2 GLU A 66 4.663 29.549 -13.495 1.00 0.00 H new ATOM 0 HG3 GLU A 66 4.155 30.141 -11.926 1.00 0.00 H new ATOM 1038 N GLU A 67 1.404 25.969 -13.772 1.00 0.00 N ATOM 1039 CA GLU A 67 0.451 24.866 -13.740 1.00 0.00 C ATOM 1040 C GLU A 67 1.096 23.596 -14.300 1.00 0.00 C ATOM 1041 O GLU A 67 1.005 22.534 -13.686 1.00 0.00 O ATOM 1042 CB GLU A 67 -0.829 25.185 -14.520 1.00 0.00 C ATOM 1043 CG GLU A 67 -1.607 26.381 -13.965 1.00 0.00 C ATOM 1044 CD GLU A 67 -1.168 27.666 -14.646 1.00 0.00 C ATOM 1045 OE1 GLU A 67 -1.749 27.964 -15.714 1.00 0.00 O ATOM 1046 OE2 GLU A 67 -0.216 28.284 -14.121 1.00 0.00 O ATOM 0 H GLU A 67 1.097 26.782 -14.306 1.00 0.00 H new ATOM 0 HA GLU A 67 0.172 24.709 -12.698 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -0.570 25.383 -15.560 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -1.476 24.308 -14.514 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -2.676 26.229 -14.117 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -1.446 26.459 -12.890 1.00 0.00 H new ATOM 1053 N PHE A 68 1.751 23.705 -15.462 1.00 0.00 N ATOM 1054 CA PHE A 68 2.395 22.559 -16.096 1.00 0.00 C ATOM 1055 C PHE A 68 3.391 21.900 -15.136 1.00 0.00 C ATOM 1056 O PHE A 68 3.348 20.695 -14.907 1.00 0.00 O ATOM 1057 CB PHE A 68 3.083 23.001 -17.393 1.00 0.00 C ATOM 1058 CG PHE A 68 3.708 21.857 -18.164 1.00 0.00 C ATOM 1059 CD1 PHE A 68 2.883 20.926 -18.821 1.00 0.00 C ATOM 1060 CD2 PHE A 68 5.108 21.733 -18.243 1.00 0.00 C ATOM 1061 CE1 PHE A 68 3.455 19.860 -19.536 1.00 0.00 C ATOM 1062 CE2 PHE A 68 5.676 20.698 -19.007 1.00 0.00 C ATOM 1063 CZ PHE A 68 4.852 19.742 -19.619 1.00 0.00 C ATOM 0 H PHE A 68 1.847 24.579 -15.980 1.00 0.00 H new ATOM 0 HA PHE A 68 1.636 21.817 -16.344 1.00 0.00 H new ATOM 0 HB2 PHE A 68 2.354 23.502 -18.029 1.00 0.00 H new ATOM 0 HB3 PHE A 68 3.855 23.733 -17.155 1.00 0.00 H new ATOM 0 HD1 PHE A 68 1.809 21.031 -18.776 1.00 0.00 H new ATOM 0 HD2 PHE A 68 5.744 22.431 -17.718 1.00 0.00 H new ATOM 0 HE1 PHE A 68 2.821 19.132 -20.021 1.00 0.00 H new ATOM 0 HE2 PHE A 68 6.748 20.639 -19.123 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.292 18.914 -20.155 1.00 0.00 H new ATOM 1073 N LEU A 69 4.271 22.712 -14.555 1.00 0.00 N ATOM 1074 CA LEU A 69 5.249 22.329 -13.552 1.00 0.00 C ATOM 1075 C LEU A 69 4.552 21.632 -12.384 1.00 0.00 C ATOM 1076 O LEU A 69 4.975 20.556 -11.976 1.00 0.00 O ATOM 1077 CB LEU A 69 6.013 23.591 -13.123 1.00 0.00 C ATOM 1078 CG LEU A 69 7.003 23.422 -11.961 1.00 0.00 C ATOM 1079 CD1 LEU A 69 8.103 22.406 -12.289 1.00 0.00 C ATOM 1080 CD2 LEU A 69 7.626 24.794 -11.666 1.00 0.00 C ATOM 0 H LEU A 69 4.320 23.704 -14.786 1.00 0.00 H new ATOM 0 HA LEU A 69 5.967 21.614 -13.953 1.00 0.00 H new ATOM 0 HB2 LEU A 69 6.560 23.971 -13.986 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.286 24.354 -12.845 1.00 0.00 H new ATOM 0 HG LEU A 69 6.468 23.041 -11.091 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.781 22.317 -11.440 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.652 21.436 -12.496 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.659 22.742 -13.164 1.00 0.00 H new ATOM 0 HD21 LEU A 69 8.335 24.702 -10.843 1.00 0.00 H new ATOM 0 HD22 LEU A 69 8.145 25.156 -12.553 1.00 0.00 H new ATOM 0 HD23 LEU A 69 6.841 25.499 -11.392 1.00 0.00 H new ATOM 1092 N THR A 70 3.478 22.216 -11.849 1.00 0.00 N ATOM 1093 CA THR A 70 2.730 21.616 -10.749 1.00 0.00 C ATOM 1094 C THR A 70 2.224 20.222 -11.140 1.00 0.00 C ATOM 1095 O THR A 70 2.453 19.248 -10.419 1.00 0.00 O ATOM 1096 CB THR A 70 1.588 22.548 -10.312 1.00 0.00 C ATOM 1097 OG1 THR A 70 2.108 23.826 -10.006 1.00 0.00 O ATOM 1098 CG2 THR A 70 0.884 22.021 -9.059 1.00 0.00 C ATOM 0 H THR A 70 3.106 23.112 -12.165 1.00 0.00 H new ATOM 0 HA THR A 70 3.392 21.488 -9.893 1.00 0.00 H new ATOM 0 HB THR A 70 0.875 22.599 -11.135 1.00 0.00 H new ATOM 0 HG1 THR A 70 2.339 24.292 -10.836 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.082 22.704 -8.778 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.466 21.035 -9.264 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.602 21.948 -8.242 1.00 0.00 H new ATOM 1106 N MET A 71 1.555 20.118 -12.292 1.00 0.00 N ATOM 1107 CA MET A 71 1.053 18.850 -12.805 1.00 0.00 C ATOM 1108 C MET A 71 2.198 17.842 -12.910 1.00 0.00 C ATOM 1109 O MET A 71 2.089 16.720 -12.421 1.00 0.00 O ATOM 1110 CB MET A 71 0.368 19.079 -14.160 1.00 0.00 C ATOM 1111 CG MET A 71 -0.305 17.801 -14.680 1.00 0.00 C ATOM 1112 SD MET A 71 -1.134 17.944 -16.285 1.00 0.00 S ATOM 1113 CE MET A 71 0.271 18.279 -17.371 1.00 0.00 C ATOM 0 H MET A 71 1.348 20.916 -12.893 1.00 0.00 H new ATOM 0 HA MET A 71 0.312 18.438 -12.120 1.00 0.00 H new ATOM 0 HB2 MET A 71 -0.377 19.868 -14.062 1.00 0.00 H new ATOM 0 HB3 MET A 71 1.104 19.424 -14.886 1.00 0.00 H new ATOM 0 HG2 MET A 71 0.450 17.018 -14.751 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.037 17.472 -13.942 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.050 18.216 -18.411 1.00 0.00 H new ATOM 0 HE2 MET A 71 0.656 19.279 -17.170 1.00 0.00 H new ATOM 0 HE3 MET A 71 1.055 17.545 -17.188 1.00 0.00 H new ATOM 1123 N MET A 72 3.305 18.246 -13.537 1.00 0.00 N ATOM 1124 CA MET A 72 4.483 17.409 -13.690 1.00 0.00 C ATOM 1125 C MET A 72 4.985 16.944 -12.323 1.00 0.00 C ATOM 1126 O MET A 72 5.239 15.759 -12.145 1.00 0.00 O ATOM 1127 CB MET A 72 5.569 18.162 -14.471 1.00 0.00 C ATOM 1128 CG MET A 72 5.167 18.420 -15.932 1.00 0.00 C ATOM 1129 SD MET A 72 5.922 17.335 -17.173 1.00 0.00 S ATOM 1130 CE MET A 72 5.331 15.713 -16.642 1.00 0.00 C ATOM 0 H MET A 72 3.403 19.172 -13.954 1.00 0.00 H new ATOM 0 HA MET A 72 4.220 16.520 -14.263 1.00 0.00 H new ATOM 0 HB2 MET A 72 5.773 19.113 -13.980 1.00 0.00 H new ATOM 0 HB3 MET A 72 6.495 17.587 -14.448 1.00 0.00 H new ATOM 0 HG2 MET A 72 4.084 18.329 -16.011 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.419 19.451 -16.180 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.628 14.961 -17.373 1.00 0.00 H new ATOM 0 HE2 MET A 72 5.764 15.468 -15.672 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.244 15.731 -16.560 1.00 0.00 H new ATOM 1140 N THR A 73 5.091 17.854 -11.352 1.00 0.00 N ATOM 1141 CA THR A 73 5.503 17.519 -9.992 1.00 0.00 C ATOM 1142 C THR A 73 4.592 16.427 -9.425 1.00 0.00 C ATOM 1143 O THR A 73 5.075 15.406 -8.944 1.00 0.00 O ATOM 1144 CB THR A 73 5.503 18.765 -9.087 1.00 0.00 C ATOM 1145 OG1 THR A 73 6.246 19.814 -9.666 1.00 0.00 O ATOM 1146 CG2 THR A 73 6.150 18.468 -7.734 1.00 0.00 C ATOM 0 H THR A 73 4.893 18.845 -11.490 1.00 0.00 H new ATOM 0 HA THR A 73 6.525 17.140 -10.023 1.00 0.00 H new ATOM 0 HB THR A 73 4.458 19.050 -8.962 1.00 0.00 H new ATOM 0 HG1 THR A 73 5.751 20.185 -10.426 1.00 0.00 H new ATOM 0 HG21 THR A 73 6.135 19.367 -7.118 1.00 0.00 H new ATOM 0 HG22 THR A 73 5.596 17.675 -7.232 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.181 18.150 -7.886 1.00 0.00 H new ATOM 1154 N ALA A 74 3.275 16.642 -9.490 1.00 0.00 N ATOM 1155 CA ALA A 74 2.300 15.681 -8.990 1.00 0.00 C ATOM 1156 C ALA A 74 2.443 14.326 -9.690 1.00 0.00 C ATOM 1157 O ALA A 74 2.357 13.282 -9.049 1.00 0.00 O ATOM 1158 CB ALA A 74 0.886 16.245 -9.160 1.00 0.00 C ATOM 0 H ALA A 74 2.861 17.484 -9.889 1.00 0.00 H new ATOM 0 HA ALA A 74 2.487 15.514 -7.929 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.159 15.524 -8.785 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.796 17.176 -8.600 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.695 16.437 -10.216 1.00 0.00 H new ATOM 1164 N LYS A 75 2.640 14.345 -11.010 1.00 0.00 N ATOM 1165 CA LYS A 75 2.771 13.145 -11.823 1.00 0.00 C ATOM 1166 C LYS A 75 4.070 12.392 -11.506 1.00 0.00 C ATOM 1167 O LYS A 75 4.083 11.164 -11.496 1.00 0.00 O ATOM 1168 CB LYS A 75 2.686 13.546 -13.303 1.00 0.00 C ATOM 1169 CG LYS A 75 2.449 12.345 -14.227 1.00 0.00 C ATOM 1170 CD LYS A 75 2.327 12.837 -15.677 1.00 0.00 C ATOM 1171 CE LYS A 75 1.984 11.701 -16.650 1.00 0.00 C ATOM 1172 NZ LYS A 75 0.639 11.152 -16.402 1.00 0.00 N ATOM 0 H LYS A 75 2.713 15.209 -11.547 1.00 0.00 H new ATOM 0 HA LYS A 75 1.959 12.456 -11.593 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.878 14.266 -13.435 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.610 14.047 -13.594 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.272 11.636 -14.139 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.542 11.818 -13.932 1.00 0.00 H new ATOM 0 HD2 LYS A 75 1.557 13.606 -15.734 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.265 13.302 -15.981 1.00 0.00 H new ATOM 0 HE2 LYS A 75 2.042 12.070 -17.674 1.00 0.00 H new ATOM 0 HE3 LYS A 75 2.724 10.906 -16.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 0.343 10.578 -17.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 0.658 10.558 -15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -0.035 11.932 -16.266 1.00 0.00 H new ATOM 1186 N MET A 76 5.166 13.130 -11.303 1.00 0.00 N ATOM 1187 CA MET A 76 6.495 12.596 -11.046 1.00 0.00 C ATOM 1188 C MET A 76 6.705 12.453 -9.533 1.00 0.00 C ATOM 1189 O MET A 76 7.534 13.213 -8.984 1.00 0.00 O ATOM 1190 CB MET A 76 7.550 13.508 -11.701 1.00 0.00 C ATOM 1191 CG MET A 76 7.394 13.573 -13.228 1.00 0.00 C ATOM 1192 SD MET A 76 8.404 14.820 -14.075 1.00 0.00 S ATOM 1193 CE MET A 76 10.071 14.232 -13.706 1.00 0.00 C ATOM 1194 OXT MET A 76 6.049 11.563 -8.950 1.00 0.00 O ATOM 0 H MET A 76 5.145 14.150 -11.315 1.00 0.00 H new ATOM 0 HA MET A 76 6.600 11.604 -11.486 1.00 0.00 H new ATOM 0 HB2 MET A 76 7.467 14.513 -11.286 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.547 13.143 -11.455 1.00 0.00 H new ATOM 0 HG2 MET A 76 7.638 12.594 -13.641 1.00 0.00 H new ATOM 0 HG3 MET A 76 6.346 13.764 -13.459 1.00 0.00 H new ATOM 0 HE1 MET A 76 10.801 14.879 -14.192 1.00 0.00 H new ATOM 0 HE2 MET A 76 10.232 14.248 -12.628 1.00 0.00 H new ATOM 0 HE3 MET A 76 10.187 13.213 -14.075 1.00 0.00 H new TER 1204 MET A 76