USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 477 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 Single : A 1 ALA N :NH3+ 150:sc= 0.915 (180deg=-1.39!) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 157:sc= 0.8 (180deg=0.585) USER MOD Single : A 6 GLN : amide:sc= 1.88 K(o=1.9,f=-6.8!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 111:sc= 1.05 USER MOD Single : A 11 SER OG : rot 76:sc= 1.11 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0.246 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= 1.02 K(o=1,f=-0.86) USER MOD Single : A 24 GLN : amide:sc= -1.05 K(o=-1.1,f=-14!) USER MOD Single : A 27 GLN : amide:sc= -0.247! C(o=-0.25!,f=-7.3!) USER MOD Single : A 28 ASN : amide:sc= 0.392 K(o=0.39,f=-11!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 31 ASN : amide:sc= 1.2 K(o=1.2,f=-0.093) USER MOD Single : A 35 ASN : amide:sc= -0.217 K(o=-0.22,f=-1.7) USER MOD Single : A 51 MET CE :methyl -122:sc= -1.73 (180deg=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 23.746 12.601 -2.323 1.00 2.08 N ATOM 2 CA ALA A 1 23.139 11.336 -1.803 1.00 1.85 C ATOM 3 C ALA A 1 21.639 11.525 -1.498 1.00 1.66 C ATOM 4 O ALA A 1 20.794 10.898 -2.110 1.00 1.65 O ATOM 5 CB ALA A 1 23.922 11.017 -0.522 1.00 1.75 C ATOM 0 H1 ALA A 1 24.749 12.642 -2.052 1.00 2.08 H new ATOM 0 H2 ALA A 1 23.666 12.624 -3.360 1.00 2.08 H new ATOM 0 H3 ALA A 1 23.245 13.418 -1.919 1.00 2.08 H new ATOM 0 HA ALA A 1 23.199 10.527 -2.531 1.00 1.85 H new ATOM 0 HB1 ALA A 1 23.536 10.099 -0.078 1.00 1.75 H new ATOM 0 HB2 ALA A 1 24.977 10.887 -0.763 1.00 1.75 H new ATOM 0 HB3 ALA A 1 23.810 11.838 0.187 1.00 1.75 H new ATOM 13 N MET A 2 21.301 12.370 -0.553 1.00 1.55 N ATOM 14 CA MET A 2 19.859 12.582 -0.199 1.00 1.39 C ATOM 15 C MET A 2 19.133 13.478 -1.228 1.00 1.53 C ATOM 16 O MET A 2 18.460 14.430 -0.870 1.00 1.54 O ATOM 17 CB MET A 2 19.905 13.250 1.184 1.00 1.36 C ATOM 18 CG MET A 2 20.532 14.647 1.079 1.00 1.64 C ATOM 19 SD MET A 2 22.146 14.651 1.898 1.00 1.77 S ATOM 20 CE MET A 2 22.837 16.071 1.012 1.00 1.68 C ATOM 0 H MET A 2 21.963 12.924 -0.010 1.00 1.55 H new ATOM 0 HA MET A 2 19.300 11.646 -0.197 1.00 1.39 H new ATOM 0 HB2 MET A 2 18.897 13.326 1.593 1.00 1.36 H new ATOM 0 HB3 MET A 2 20.483 12.635 1.874 1.00 1.36 H new ATOM 0 HG2 MET A 2 20.643 14.929 0.032 1.00 1.64 H new ATOM 0 HG3 MET A 2 19.877 15.386 1.540 1.00 1.64 H new ATOM 0 HE1 MET A 2 23.851 16.261 1.363 1.00 1.68 H new ATOM 0 HE2 MET A 2 22.857 15.858 -0.057 1.00 1.68 H new ATOM 0 HE3 MET A 2 22.219 16.950 1.195 1.00 1.68 H new ATOM 30 N GLU A 3 19.246 13.180 -2.500 1.00 1.69 N ATOM 31 CA GLU A 3 18.553 14.019 -3.533 1.00 1.88 C ATOM 32 C GLU A 3 17.228 13.374 -3.964 1.00 1.80 C ATOM 33 O GLU A 3 16.249 14.059 -4.212 1.00 1.82 O ATOM 34 CB GLU A 3 19.530 14.089 -4.710 1.00 2.17 C ATOM 35 CG GLU A 3 20.652 15.084 -4.386 1.00 2.31 C ATOM 36 CD GLU A 3 21.793 14.356 -3.679 1.00 2.24 C ATOM 37 OE1 GLU A 3 22.392 13.487 -4.295 1.00 2.33 O ATOM 38 OE2 GLU A 3 22.048 14.666 -2.527 1.00 2.14 O ATOM 0 H GLU A 3 19.785 12.396 -2.868 1.00 1.69 H new ATOM 0 HA GLU A 3 18.302 15.008 -3.151 1.00 1.88 H new ATOM 0 HB2 GLU A 3 19.950 13.103 -4.907 1.00 2.17 H new ATOM 0 HB3 GLU A 3 19.005 14.398 -5.614 1.00 2.17 H new ATOM 0 HG2 GLU A 3 21.016 15.548 -5.302 1.00 2.31 H new ATOM 0 HG3 GLU A 3 20.270 15.885 -3.753 1.00 2.31 H new ATOM 45 N LYS A 4 17.189 12.069 -4.067 1.00 1.76 N ATOM 46 CA LYS A 4 15.940 11.374 -4.486 1.00 1.76 C ATOM 47 C LYS A 4 15.385 10.512 -3.340 1.00 1.52 C ATOM 48 O LYS A 4 14.187 10.437 -3.140 1.00 1.44 O ATOM 49 CB LYS A 4 16.348 10.511 -5.685 1.00 2.04 C ATOM 50 CG LYS A 4 15.670 11.037 -6.957 1.00 2.28 C ATOM 51 CD LYS A 4 16.059 12.505 -7.191 1.00 2.35 C ATOM 52 CE LYS A 4 14.858 13.406 -6.889 1.00 2.25 C ATOM 53 NZ LYS A 4 15.441 14.698 -6.419 1.00 2.24 N ATOM 0 H LYS A 4 17.979 11.452 -3.876 1.00 1.76 H new ATOM 0 HA LYS A 4 15.147 12.075 -4.746 1.00 1.76 H new ATOM 0 HB2 LYS A 4 17.431 10.528 -5.805 1.00 2.04 H new ATOM 0 HB3 LYS A 4 16.063 9.473 -5.512 1.00 2.04 H new ATOM 0 HG2 LYS A 4 15.967 10.432 -7.814 1.00 2.28 H new ATOM 0 HG3 LYS A 4 14.587 10.949 -6.865 1.00 2.28 H new ATOM 0 HD2 LYS A 4 16.900 12.776 -6.552 1.00 2.35 H new ATOM 0 HD3 LYS A 4 16.383 12.647 -8.222 1.00 2.35 H new ATOM 0 HE2 LYS A 4 14.243 13.552 -7.777 1.00 2.25 H new ATOM 0 HE3 LYS A 4 14.217 12.964 -6.127 1.00 2.25 H new ATOM 0 HZ1 LYS A 4 14.752 15.463 -6.564 1.00 2.24 H new ATOM 0 HZ2 LYS A 4 15.672 14.627 -5.407 1.00 2.24 H new ATOM 0 HZ3 LYS A 4 16.306 14.905 -6.958 1.00 2.24 H new ATOM 67 N VAL A 5 16.248 9.878 -2.586 1.00 1.42 N ATOM 68 CA VAL A 5 15.786 9.024 -1.440 1.00 1.25 C ATOM 69 C VAL A 5 14.885 9.833 -0.503 1.00 1.01 C ATOM 70 O VAL A 5 13.813 9.397 -0.124 1.00 0.97 O ATOM 71 CB VAL A 5 17.063 8.553 -0.718 1.00 1.20 C ATOM 72 CG1 VAL A 5 17.939 9.749 -0.331 1.00 1.12 C ATOM 73 CG2 VAL A 5 16.676 7.786 0.551 1.00 1.11 C ATOM 0 H VAL A 5 17.259 9.913 -2.713 1.00 1.42 H new ATOM 0 HA VAL A 5 15.197 8.173 -1.782 1.00 1.25 H new ATOM 0 HB VAL A 5 17.625 7.907 -1.393 1.00 1.20 H new ATOM 0 HG11 VAL A 5 18.835 9.394 0.178 1.00 1.12 H new ATOM 0 HG12 VAL A 5 18.224 10.297 -1.229 1.00 1.12 H new ATOM 0 HG13 VAL A 5 17.381 10.408 0.334 1.00 1.12 H new ATOM 0 HG21 VAL A 5 17.578 7.452 1.063 1.00 1.11 H new ATOM 0 HG22 VAL A 5 16.105 8.439 1.211 1.00 1.11 H new ATOM 0 HG23 VAL A 5 16.070 6.921 0.283 1.00 1.11 H new ATOM 83 N GLN A 6 15.298 11.018 -0.152 1.00 0.93 N ATOM 84 CA GLN A 6 14.452 11.865 0.731 1.00 0.77 C ATOM 85 C GLN A 6 13.318 12.474 -0.102 1.00 0.82 C ATOM 86 O GLN A 6 12.229 12.703 0.386 1.00 0.69 O ATOM 87 CB GLN A 6 15.396 12.931 1.318 1.00 0.85 C ATOM 88 CG GLN A 6 15.439 14.186 0.434 1.00 1.08 C ATOM 89 CD GLN A 6 16.060 15.340 1.226 1.00 1.24 C ATOM 90 OE1 GLN A 6 15.463 15.844 2.156 1.00 1.26 O ATOM 91 NE2 GLN A 6 17.240 15.777 0.905 1.00 1.45 N ATOM 0 H GLN A 6 16.183 11.436 -0.438 1.00 0.93 H new ATOM 0 HA GLN A 6 13.979 11.308 1.540 1.00 0.77 H new ATOM 0 HB2 GLN A 6 15.064 13.201 2.321 1.00 0.85 H new ATOM 0 HB3 GLN A 6 16.400 12.517 1.415 1.00 0.85 H new ATOM 0 HG2 GLN A 6 16.023 13.991 -0.466 1.00 1.08 H new ATOM 0 HG3 GLN A 6 14.433 14.452 0.110 1.00 1.08 H new ATOM 0 HE21 GLN A 6 17.745 15.357 0.125 1.00 1.45 H new ATOM 0 HE22 GLN A 6 17.662 16.541 1.433 1.00 1.45 H new ATOM 100 N TYR A 7 13.571 12.697 -1.369 1.00 1.05 N ATOM 101 CA TYR A 7 12.523 13.258 -2.276 1.00 1.17 C ATOM 102 C TYR A 7 11.352 12.276 -2.371 1.00 1.12 C ATOM 103 O TYR A 7 10.211 12.638 -2.146 1.00 1.03 O ATOM 104 CB TYR A 7 13.210 13.414 -3.637 1.00 1.49 C ATOM 105 CG TYR A 7 12.456 14.408 -4.492 1.00 1.67 C ATOM 106 CD1 TYR A 7 12.710 15.779 -4.361 1.00 1.76 C ATOM 107 CD2 TYR A 7 11.510 13.959 -5.423 1.00 1.83 C ATOM 108 CE1 TYR A 7 12.022 16.699 -5.162 1.00 1.97 C ATOM 109 CE2 TYR A 7 10.820 14.881 -6.222 1.00 2.02 C ATOM 110 CZ TYR A 7 11.077 16.251 -6.092 1.00 2.06 C ATOM 111 OH TYR A 7 10.404 17.159 -6.882 1.00 2.27 O ATOM 0 H TYR A 7 14.468 12.512 -1.817 1.00 1.05 H new ATOM 0 HA TYR A 7 12.124 14.208 -1.919 1.00 1.17 H new ATOM 0 HB2 TYR A 7 14.238 13.749 -3.497 1.00 1.49 H new ATOM 0 HB3 TYR A 7 13.255 12.449 -4.142 1.00 1.49 H new ATOM 0 HD1 TYR A 7 13.437 16.127 -3.642 1.00 1.76 H new ATOM 0 HD2 TYR A 7 11.312 12.902 -5.525 1.00 1.83 H new ATOM 0 HE1 TYR A 7 12.221 17.756 -5.062 1.00 1.97 H new ATOM 0 HE2 TYR A 7 10.090 14.534 -6.938 1.00 2.02 H new ATOM 0 HH TYR A 7 9.785 16.682 -7.474 1.00 2.27 H new ATOM 121 N LEU A 8 11.624 11.030 -2.686 1.00 1.24 N ATOM 122 CA LEU A 8 10.521 10.027 -2.773 1.00 1.33 C ATOM 123 C LEU A 8 9.967 9.732 -1.367 1.00 1.12 C ATOM 124 O LEU A 8 8.792 9.474 -1.207 1.00 1.16 O ATOM 125 CB LEU A 8 11.146 8.780 -3.427 1.00 1.58 C ATOM 126 CG LEU A 8 12.033 8.019 -2.437 1.00 1.49 C ATOM 127 CD1 LEU A 8 11.208 6.954 -1.711 1.00 1.58 C ATOM 128 CD2 LEU A 8 13.165 7.332 -3.203 1.00 1.70 C ATOM 0 H LEU A 8 12.557 10.669 -2.885 1.00 1.24 H new ATOM 0 HA LEU A 8 9.676 10.382 -3.362 1.00 1.33 H new ATOM 0 HB2 LEU A 8 10.356 8.123 -3.791 1.00 1.58 H new ATOM 0 HB3 LEU A 8 11.737 9.078 -4.293 1.00 1.58 H new ATOM 0 HG LEU A 8 12.442 8.720 -1.709 1.00 1.49 H new ATOM 0 HD11 LEU A 8 11.845 6.417 -1.009 1.00 1.58 H new ATOM 0 HD12 LEU A 8 10.393 7.433 -1.169 1.00 1.58 H new ATOM 0 HD13 LEU A 8 10.798 6.253 -2.438 1.00 1.58 H new ATOM 0 HD21 LEU A 8 13.800 6.788 -2.504 1.00 1.70 H new ATOM 0 HD22 LEU A 8 12.744 6.635 -3.927 1.00 1.70 H new ATOM 0 HD23 LEU A 8 13.759 8.082 -3.725 1.00 1.70 H new ATOM 140 N THR A 9 10.795 9.797 -0.348 1.00 0.96 N ATOM 141 CA THR A 9 10.292 9.546 1.044 1.00 0.87 C ATOM 142 C THR A 9 9.340 10.676 1.452 1.00 0.70 C ATOM 143 O THR A 9 8.201 10.440 1.806 1.00 0.79 O ATOM 144 CB THR A 9 11.536 9.536 1.943 1.00 0.78 C ATOM 145 OG1 THR A 9 12.385 8.462 1.567 1.00 0.94 O ATOM 146 CG2 THR A 9 11.116 9.355 3.403 1.00 0.85 C ATOM 0 H THR A 9 11.790 10.011 -0.419 1.00 0.96 H new ATOM 0 HA THR A 9 9.744 8.607 1.123 1.00 0.87 H new ATOM 0 HB THR A 9 12.066 10.482 1.830 1.00 0.78 H new ATOM 0 HG1 THR A 9 13.201 8.818 1.158 1.00 0.94 H new ATOM 0 HG21 THR A 9 12.002 9.348 4.038 1.00 0.85 H new ATOM 0 HG22 THR A 9 10.464 10.177 3.698 1.00 0.85 H new ATOM 0 HG23 THR A 9 10.583 8.411 3.514 1.00 0.85 H new ATOM 154 N ARG A 10 9.796 11.908 1.377 1.00 0.54 N ATOM 155 CA ARG A 10 8.915 13.069 1.734 1.00 0.44 C ATOM 156 C ARG A 10 7.667 13.072 0.843 1.00 0.50 C ATOM 157 O ARG A 10 6.582 13.403 1.276 1.00 0.47 O ATOM 158 CB ARG A 10 9.763 14.315 1.464 1.00 0.51 C ATOM 159 CG ARG A 10 10.310 14.871 2.787 1.00 0.62 C ATOM 160 CD ARG A 10 11.825 14.646 2.859 1.00 0.72 C ATOM 161 NE ARG A 10 12.393 15.965 3.271 1.00 0.97 N ATOM 162 CZ ARG A 10 13.088 16.066 4.363 1.00 1.13 C ATOM 163 NH1 ARG A 10 12.482 16.168 5.504 1.00 1.24 N ATOM 164 NH2 ARG A 10 14.380 16.068 4.306 1.00 1.25 N ATOM 0 H ARG A 10 10.740 12.158 1.084 1.00 0.54 H new ATOM 0 HA ARG A 10 8.575 13.025 2.769 1.00 0.44 H new ATOM 0 HB2 ARG A 10 10.587 14.067 0.795 1.00 0.51 H new ATOM 0 HB3 ARG A 10 9.162 15.073 0.962 1.00 0.51 H new ATOM 0 HG2 ARG A 10 10.087 15.935 2.864 1.00 0.62 H new ATOM 0 HG3 ARG A 10 9.820 14.381 3.628 1.00 0.62 H new ATOM 0 HD2 ARG A 10 12.074 13.867 3.579 1.00 0.72 H new ATOM 0 HD3 ARG A 10 12.223 14.329 1.895 1.00 0.72 H new ATOM 0 HE ARG A 10 12.234 16.790 2.692 1.00 0.97 H new ATOM 0 HH11 ARG A 10 11.463 16.169 5.542 1.00 1.24 H new ATOM 0 HH12 ARG A 10 13.024 16.248 6.364 1.00 1.24 H new ATOM 0 HH21 ARG A 10 14.851 15.990 3.405 1.00 1.25 H new ATOM 0 HH22 ARG A 10 14.928 16.147 5.163 1.00 1.25 H new ATOM 178 N SER A 11 7.821 12.686 -0.392 1.00 0.68 N ATOM 179 CA SER A 11 6.658 12.628 -1.334 1.00 0.84 C ATOM 180 C SER A 11 5.739 11.463 -0.956 1.00 0.95 C ATOM 181 O SER A 11 4.530 11.547 -1.055 1.00 1.01 O ATOM 182 CB SER A 11 7.270 12.373 -2.708 1.00 1.09 C ATOM 183 OG SER A 11 8.116 13.460 -3.069 1.00 1.11 O ATOM 0 H SER A 11 8.713 12.404 -0.798 1.00 0.68 H new ATOM 0 HA SER A 11 6.065 13.542 -1.308 1.00 0.84 H new ATOM 0 HB2 SER A 11 7.841 11.445 -2.695 1.00 1.09 H new ATOM 0 HB3 SER A 11 6.481 12.252 -3.451 1.00 1.09 H new ATOM 0 HG SER A 11 8.960 13.395 -2.576 1.00 1.11 H new ATOM 189 N ALA A 12 6.320 10.379 -0.510 1.00 1.03 N ATOM 190 CA ALA A 12 5.516 9.197 -0.106 1.00 1.24 C ATOM 191 C ALA A 12 4.751 9.520 1.165 1.00 1.17 C ATOM 192 O ALA A 12 3.657 9.066 1.376 1.00 1.34 O ATOM 193 CB ALA A 12 6.541 8.098 0.151 1.00 1.35 C ATOM 0 H ALA A 12 7.329 10.266 -0.409 1.00 1.03 H new ATOM 0 HA ALA A 12 4.787 8.901 -0.860 1.00 1.24 H new ATOM 0 HB1 ALA A 12 6.028 7.186 0.456 1.00 1.35 H new ATOM 0 HB2 ALA A 12 7.108 7.908 -0.761 1.00 1.35 H new ATOM 0 HB3 ALA A 12 7.221 8.413 0.942 1.00 1.35 H new ATOM 199 N ILE A 13 5.344 10.310 2.005 1.00 0.97 N ATOM 200 CA ILE A 13 4.687 10.701 3.281 1.00 0.99 C ATOM 201 C ILE A 13 3.867 11.990 3.101 1.00 0.85 C ATOM 202 O ILE A 13 3.052 12.325 3.939 1.00 0.91 O ATOM 203 CB ILE A 13 5.832 10.920 4.275 1.00 0.96 C ATOM 204 CG1 ILE A 13 5.287 10.872 5.706 1.00 1.16 C ATOM 205 CG2 ILE A 13 6.469 12.287 4.024 1.00 0.73 C ATOM 206 CD1 ILE A 13 5.723 9.567 6.375 1.00 1.45 C ATOM 0 H ILE A 13 6.271 10.710 1.862 1.00 0.97 H new ATOM 0 HA ILE A 13 3.990 9.938 3.627 1.00 0.99 H new ATOM 0 HB ILE A 13 6.579 10.137 4.143 1.00 0.96 H new ATOM 0 HG12 ILE A 13 5.655 11.726 6.275 1.00 1.16 H new ATOM 0 HG13 ILE A 13 4.199 10.941 5.695 1.00 1.16 H new ATOM 0 HG21 ILE A 13 7.284 12.444 4.731 1.00 0.73 H new ATOM 0 HG22 ILE A 13 6.858 12.326 3.007 1.00 0.73 H new ATOM 0 HG23 ILE A 13 5.719 13.067 4.155 1.00 0.73 H new ATOM 0 HD11 ILE A 13 5.335 9.533 7.393 1.00 1.45 H new ATOM 0 HD12 ILE A 13 5.333 8.720 5.810 1.00 1.45 H new ATOM 0 HD13 ILE A 13 6.812 9.517 6.399 1.00 1.45 H new ATOM 218 N ARG A 14 4.092 12.725 2.021 1.00 0.69 N ATOM 219 CA ARG A 14 3.333 14.016 1.794 1.00 0.57 C ATOM 220 C ARG A 14 1.881 13.829 2.217 1.00 0.57 C ATOM 221 O ARG A 14 1.312 14.636 2.924 1.00 0.57 O ATOM 222 CB ARG A 14 3.425 14.299 0.285 1.00 0.52 C ATOM 223 CG ARG A 14 2.111 14.924 -0.209 1.00 0.48 C ATOM 224 CD ARG A 14 2.361 15.765 -1.459 1.00 0.54 C ATOM 225 NE ARG A 14 1.078 16.507 -1.661 1.00 0.54 N ATOM 226 CZ ARG A 14 1.050 17.805 -1.641 1.00 0.54 C ATOM 227 NH1 ARG A 14 1.754 18.464 -0.773 1.00 0.58 N ATOM 228 NH2 ARG A 14 0.294 18.441 -2.478 1.00 0.58 N ATOM 0 H ARG A 14 4.764 12.488 1.291 1.00 0.69 H new ATOM 0 HA ARG A 14 3.743 14.843 2.373 1.00 0.57 H new ATOM 0 HB2 ARG A 14 4.258 14.973 0.082 1.00 0.52 H new ATOM 0 HB3 ARG A 14 3.624 13.374 -0.256 1.00 0.52 H new ATOM 0 HG2 ARG A 14 1.387 14.139 -0.429 1.00 0.48 H new ATOM 0 HG3 ARG A 14 1.679 15.545 0.575 1.00 0.48 H new ATOM 0 HD2 ARG A 14 3.199 16.448 -1.319 1.00 0.54 H new ATOM 0 HD3 ARG A 14 2.600 15.140 -2.319 1.00 0.54 H new ATOM 0 HE ARG A 14 0.214 15.987 -1.816 1.00 0.54 H new ATOM 0 HH11 ARG A 14 2.334 17.962 -0.101 1.00 0.58 H new ATOM 0 HH12 ARG A 14 1.727 19.484 -0.763 1.00 0.58 H new ATOM 0 HH21 ARG A 14 -0.275 17.922 -3.147 1.00 0.58 H new ATOM 0 HH22 ARG A 14 0.267 19.461 -2.468 1.00 0.58 H new ATOM 242 N ARG A 15 1.321 12.737 1.804 1.00 0.60 N ATOM 243 CA ARG A 15 -0.090 12.366 2.164 1.00 0.61 C ATOM 244 C ARG A 15 -0.396 12.713 3.623 1.00 0.66 C ATOM 245 O ARG A 15 -1.501 13.070 3.973 1.00 0.67 O ATOM 246 CB ARG A 15 -0.178 10.838 2.016 1.00 0.70 C ATOM 247 CG ARG A 15 1.209 10.182 1.862 1.00 0.56 C ATOM 248 CD ARG A 15 1.185 8.719 2.314 1.00 0.56 C ATOM 249 NE ARG A 15 -0.175 8.198 1.962 1.00 0.51 N ATOM 250 CZ ARG A 15 -0.374 7.571 0.840 1.00 0.51 C ATOM 251 NH1 ARG A 15 -0.132 8.166 -0.286 1.00 0.52 N ATOM 252 NH2 ARG A 15 -0.834 6.360 0.847 1.00 0.52 N ATOM 0 H ARG A 15 1.790 12.054 1.210 1.00 0.60 H new ATOM 0 HA ARG A 15 -0.793 12.903 1.527 1.00 0.61 H new ATOM 0 HB2 ARG A 15 -0.680 10.419 2.888 1.00 0.70 H new ATOM 0 HB3 ARG A 15 -0.791 10.594 1.148 1.00 0.70 H new ATOM 0 HG2 ARG A 15 1.527 10.238 0.821 1.00 0.56 H new ATOM 0 HG3 ARG A 15 1.942 10.735 2.449 1.00 0.56 H new ATOM 0 HD2 ARG A 15 1.964 8.144 1.814 1.00 0.56 H new ATOM 0 HD3 ARG A 15 1.368 8.639 3.386 1.00 0.56 H new ATOM 0 HE ARG A 15 -0.952 8.336 2.608 1.00 0.51 H new ATOM 0 HH11 ARG A 15 0.214 9.125 -0.292 1.00 0.52 H new ATOM 0 HH12 ARG A 15 -0.288 7.675 -1.166 1.00 0.52 H new ATOM 0 HH21 ARG A 15 -1.040 5.898 1.733 1.00 0.52 H new ATOM 0 HH22 ARG A 15 -0.990 5.869 -0.033 1.00 0.52 H new ATOM 266 N ALA A 16 0.581 12.585 4.466 1.00 0.73 N ATOM 267 CA ALA A 16 0.392 12.890 5.912 1.00 0.81 C ATOM 268 C ALA A 16 1.205 14.125 6.317 1.00 0.81 C ATOM 269 O ALA A 16 0.981 14.710 7.357 1.00 0.89 O ATOM 270 CB ALA A 16 0.936 11.660 6.622 1.00 0.91 C ATOM 0 H ALA A 16 1.520 12.277 4.214 1.00 0.73 H new ATOM 0 HA ALA A 16 -0.648 13.103 6.158 1.00 0.81 H new ATOM 0 HB1 ALA A 16 0.840 11.790 7.700 1.00 0.91 H new ATOM 0 HB2 ALA A 16 0.372 10.781 6.311 1.00 0.91 H new ATOM 0 HB3 ALA A 16 1.987 11.526 6.365 1.00 0.91 H new ATOM 276 N SER A 17 2.169 14.500 5.517 1.00 0.75 N ATOM 277 CA SER A 17 3.030 15.678 5.882 1.00 0.78 C ATOM 278 C SER A 17 2.640 16.951 5.115 1.00 0.73 C ATOM 279 O SER A 17 2.738 18.044 5.639 1.00 0.79 O ATOM 280 CB SER A 17 4.454 15.251 5.515 1.00 0.77 C ATOM 281 OG SER A 17 5.383 15.940 6.346 1.00 0.91 O ATOM 0 H SER A 17 2.401 14.049 4.632 1.00 0.75 H new ATOM 0 HA SER A 17 2.919 15.929 6.937 1.00 0.78 H new ATOM 0 HB2 SER A 17 4.566 14.174 5.640 1.00 0.77 H new ATOM 0 HB3 SER A 17 4.653 15.472 4.466 1.00 0.77 H new ATOM 0 HG SER A 17 6.295 15.667 6.114 1.00 0.91 H new ATOM 287 N THR A 18 2.208 16.829 3.887 1.00 0.65 N ATOM 288 CA THR A 18 1.827 18.059 3.104 1.00 0.63 C ATOM 289 C THR A 18 0.601 17.823 2.203 1.00 0.58 C ATOM 290 O THR A 18 0.256 18.666 1.400 1.00 0.58 O ATOM 291 CB THR A 18 3.052 18.434 2.244 1.00 0.62 C ATOM 292 OG1 THR A 18 3.085 17.630 1.067 1.00 0.57 O ATOM 293 CG2 THR A 18 4.349 18.236 3.039 1.00 0.69 C ATOM 0 H THR A 18 2.101 15.945 3.390 1.00 0.65 H new ATOM 0 HA THR A 18 1.551 18.859 3.790 1.00 0.63 H new ATOM 0 HB THR A 18 2.968 19.484 1.963 1.00 0.62 H new ATOM 0 HG1 THR A 18 3.864 17.875 0.525 1.00 0.57 H new ATOM 0 HG21 THR A 18 5.202 18.505 2.416 1.00 0.69 H new ATOM 0 HG22 THR A 18 4.333 18.870 3.926 1.00 0.69 H new ATOM 0 HG23 THR A 18 4.435 17.192 3.341 1.00 0.69 H new ATOM 301 N ILE A 19 -0.047 16.693 2.325 1.00 0.55 N ATOM 302 CA ILE A 19 -1.249 16.392 1.479 1.00 0.50 C ATOM 303 C ILE A 19 -2.177 17.609 1.326 1.00 0.53 C ATOM 304 O ILE A 19 -2.467 18.324 2.266 1.00 0.60 O ATOM 305 CB ILE A 19 -1.972 15.262 2.225 1.00 0.49 C ATOM 306 CG1 ILE A 19 -3.310 14.946 1.543 1.00 0.44 C ATOM 307 CG2 ILE A 19 -2.231 15.682 3.674 1.00 0.55 C ATOM 308 CD1 ILE A 19 -4.144 14.025 2.443 1.00 0.43 C ATOM 0 H ILE A 19 0.206 15.955 2.982 1.00 0.55 H new ATOM 0 HA ILE A 19 -0.957 16.119 0.465 1.00 0.50 H new ATOM 0 HB ILE A 19 -1.342 14.373 2.207 1.00 0.49 H new ATOM 0 HG12 ILE A 19 -3.855 15.869 1.346 1.00 0.44 H new ATOM 0 HG13 ILE A 19 -3.134 14.467 0.580 1.00 0.44 H new ATOM 0 HG21 ILE A 19 -2.744 14.877 4.200 1.00 0.55 H new ATOM 0 HG22 ILE A 19 -1.282 15.890 4.168 1.00 0.55 H new ATOM 0 HG23 ILE A 19 -2.852 16.578 3.688 1.00 0.55 H new ATOM 0 HD11 ILE A 19 -5.093 13.803 1.956 1.00 0.43 H new ATOM 0 HD12 ILE A 19 -3.600 13.097 2.618 1.00 0.43 H new ATOM 0 HD13 ILE A 19 -4.332 14.520 3.396 1.00 0.43 H new ATOM 320 N GLU A 20 -2.649 17.806 0.127 1.00 0.51 N ATOM 321 CA GLU A 20 -3.598 18.924 -0.185 1.00 0.56 C ATOM 322 C GLU A 20 -4.952 18.628 0.489 1.00 0.56 C ATOM 323 O GLU A 20 -5.006 18.322 1.665 1.00 0.56 O ATOM 324 CB GLU A 20 -3.712 18.864 -1.716 1.00 0.57 C ATOM 325 CG GLU A 20 -4.067 17.424 -2.154 1.00 0.52 C ATOM 326 CD GLU A 20 -2.965 16.884 -3.065 1.00 0.58 C ATOM 327 OE1 GLU A 20 -1.918 16.521 -2.542 1.00 0.59 O ATOM 328 OE2 GLU A 20 -3.179 16.845 -4.262 1.00 0.76 O ATOM 0 H GLU A 20 -2.412 17.224 -0.676 1.00 0.51 H new ATOM 0 HA GLU A 20 -3.277 19.904 0.167 1.00 0.56 H new ATOM 0 HB2 GLU A 20 -4.477 19.559 -2.061 1.00 0.57 H new ATOM 0 HB3 GLU A 20 -2.772 19.173 -2.173 1.00 0.57 H new ATOM 0 HG2 GLU A 20 -4.178 16.783 -1.279 1.00 0.52 H new ATOM 0 HG3 GLU A 20 -5.023 17.417 -2.678 1.00 0.52 H new ATOM 335 N MET A 21 -6.041 18.654 -0.249 1.00 0.57 N ATOM 336 CA MET A 21 -7.355 18.283 0.362 1.00 0.58 C ATOM 337 C MET A 21 -7.248 16.782 0.719 1.00 0.51 C ATOM 338 O MET A 21 -6.154 16.245 0.711 1.00 0.47 O ATOM 339 CB MET A 21 -8.395 18.542 -0.743 1.00 0.62 C ATOM 340 CG MET A 21 -9.475 19.500 -0.228 1.00 0.70 C ATOM 341 SD MET A 21 -11.059 19.095 -1.005 1.00 0.84 S ATOM 342 CE MET A 21 -11.727 20.777 -1.074 1.00 1.56 C ATOM 0 H MET A 21 -6.074 18.913 -1.235 1.00 0.57 H new ATOM 0 HA MET A 21 -7.628 18.838 1.259 1.00 0.58 H new ATOM 0 HB2 MET A 21 -7.908 18.967 -1.621 1.00 0.62 H new ATOM 0 HB3 MET A 21 -8.849 17.602 -1.055 1.00 0.62 H new ATOM 0 HG2 MET A 21 -9.559 19.422 0.856 1.00 0.70 H new ATOM 0 HG3 MET A 21 -9.200 20.530 -0.453 1.00 0.70 H new ATOM 0 HE1 MET A 21 -12.718 20.757 -1.528 1.00 1.56 H new ATOM 0 HE2 MET A 21 -11.798 21.182 -0.065 1.00 1.56 H new ATOM 0 HE3 MET A 21 -11.067 21.406 -1.672 1.00 1.56 H new ATOM 352 N PRO A 22 -8.337 16.115 1.006 1.00 0.51 N ATOM 353 CA PRO A 22 -8.212 14.670 1.328 1.00 0.46 C ATOM 354 C PRO A 22 -7.725 13.903 0.081 1.00 0.43 C ATOM 355 O PRO A 22 -8.500 13.287 -0.633 1.00 0.45 O ATOM 356 CB PRO A 22 -9.632 14.279 1.744 1.00 0.51 C ATOM 357 CG PRO A 22 -10.514 15.296 1.091 1.00 0.55 C ATOM 358 CD PRO A 22 -9.728 16.580 1.061 1.00 0.57 C ATOM 0 HA PRO A 22 -7.489 14.441 2.111 1.00 0.46 H new ATOM 0 HB2 PRO A 22 -9.878 13.270 1.412 1.00 0.51 H new ATOM 0 HB3 PRO A 22 -9.745 14.294 2.828 1.00 0.51 H new ATOM 0 HG2 PRO A 22 -10.787 14.984 0.083 1.00 0.55 H new ATOM 0 HG3 PRO A 22 -11.442 15.421 1.649 1.00 0.55 H new ATOM 0 HD2 PRO A 22 -9.984 17.190 0.195 1.00 0.57 H new ATOM 0 HD3 PRO A 22 -9.915 17.189 1.946 1.00 0.57 H new ATOM 366 N GLN A 23 -6.433 13.943 -0.187 1.00 0.40 N ATOM 367 CA GLN A 23 -5.877 13.234 -1.387 1.00 0.40 C ATOM 368 C GLN A 23 -5.442 11.820 -0.995 1.00 0.35 C ATOM 369 O GLN A 23 -5.804 10.845 -1.627 1.00 0.37 O ATOM 370 CB GLN A 23 -4.677 14.095 -1.825 1.00 0.42 C ATOM 371 CG GLN A 23 -3.654 13.256 -2.607 1.00 0.43 C ATOM 372 CD GLN A 23 -2.390 13.064 -1.762 1.00 0.43 C ATOM 373 OE1 GLN A 23 -2.102 11.974 -1.318 1.00 0.50 O ATOM 374 NE2 GLN A 23 -1.617 14.080 -1.521 1.00 0.47 N ATOM 0 H GLN A 23 -5.742 14.438 0.377 1.00 0.40 H new ATOM 0 HA GLN A 23 -6.601 13.122 -2.194 1.00 0.40 H new ATOM 0 HB2 GLN A 23 -5.025 14.921 -2.445 1.00 0.42 H new ATOM 0 HB3 GLN A 23 -4.200 14.533 -0.948 1.00 0.42 H new ATOM 0 HG2 GLN A 23 -4.083 12.287 -2.862 1.00 0.43 H new ATOM 0 HG3 GLN A 23 -3.404 13.751 -3.545 1.00 0.43 H new ATOM 0 HE21 GLN A 23 -1.854 15.000 -1.892 1.00 0.47 H new ATOM 0 HE22 GLN A 23 -0.773 13.957 -0.961 1.00 0.47 H new ATOM 383 N GLN A 24 -4.679 11.708 0.054 1.00 0.32 N ATOM 384 CA GLN A 24 -4.218 10.367 0.509 1.00 0.32 C ATOM 385 C GLN A 24 -5.342 9.632 1.243 1.00 0.31 C ATOM 386 O GLN A 24 -5.317 8.430 1.345 1.00 0.33 O ATOM 387 CB GLN A 24 -3.021 10.635 1.436 1.00 0.35 C ATOM 388 CG GLN A 24 -3.454 10.675 2.916 1.00 0.40 C ATOM 389 CD GLN A 24 -3.151 9.330 3.589 1.00 0.45 C ATOM 390 OE1 GLN A 24 -2.157 8.694 3.295 1.00 0.46 O ATOM 391 NE2 GLN A 24 -3.965 8.864 4.491 1.00 0.56 N ATOM 0 H GLN A 24 -4.353 12.492 0.620 1.00 0.32 H new ATOM 0 HA GLN A 24 -3.933 9.728 -0.326 1.00 0.32 H new ATOM 0 HB2 GLN A 24 -2.269 9.858 1.296 1.00 0.35 H new ATOM 0 HB3 GLN A 24 -2.555 11.582 1.166 1.00 0.35 H new ATOM 0 HG2 GLN A 24 -2.929 11.477 3.435 1.00 0.40 H new ATOM 0 HG3 GLN A 24 -4.520 10.894 2.986 1.00 0.40 H new ATOM 0 HE21 GLN A 24 -4.801 9.390 4.744 1.00 0.56 H new ATOM 0 HE22 GLN A 24 -3.767 7.972 4.945 1.00 0.56 H new ATOM 400 N ALA A 25 -6.338 10.330 1.738 1.00 0.32 N ATOM 401 CA ALA A 25 -7.454 9.622 2.438 1.00 0.35 C ATOM 402 C ALA A 25 -8.015 8.538 1.516 1.00 0.36 C ATOM 403 O ALA A 25 -8.119 7.383 1.881 1.00 0.38 O ATOM 404 CB ALA A 25 -8.502 10.703 2.720 1.00 0.39 C ATOM 0 H ALA A 25 -6.425 11.345 1.688 1.00 0.32 H new ATOM 0 HA ALA A 25 -7.137 9.133 3.359 1.00 0.35 H new ATOM 0 HB1 ALA A 25 -9.354 10.258 3.234 1.00 0.39 H new ATOM 0 HB2 ALA A 25 -8.064 11.479 3.348 1.00 0.39 H new ATOM 0 HB3 ALA A 25 -8.834 11.142 1.779 1.00 0.39 H new ATOM 410 N ARG A 26 -8.338 8.910 0.310 1.00 0.37 N ATOM 411 CA ARG A 26 -8.864 7.920 -0.673 1.00 0.41 C ATOM 412 C ARG A 26 -7.710 7.105 -1.278 1.00 0.41 C ATOM 413 O ARG A 26 -7.837 5.917 -1.512 1.00 0.45 O ATOM 414 CB ARG A 26 -9.546 8.761 -1.756 1.00 0.46 C ATOM 415 CG ARG A 26 -10.838 9.378 -1.204 1.00 0.50 C ATOM 416 CD ARG A 26 -10.725 10.908 -1.206 1.00 0.49 C ATOM 417 NE ARG A 26 -10.563 11.288 -2.644 1.00 0.57 N ATOM 418 CZ ARG A 26 -10.728 12.521 -3.017 1.00 0.64 C ATOM 419 NH1 ARG A 26 -10.015 13.462 -2.484 1.00 0.60 N ATOM 420 NH2 ARG A 26 -11.608 12.807 -3.923 1.00 0.81 N ATOM 0 H ARG A 26 -8.260 9.865 -0.041 1.00 0.37 H new ATOM 0 HA ARG A 26 -9.550 7.209 -0.213 1.00 0.41 H new ATOM 0 HB2 ARG A 26 -8.873 9.549 -2.095 1.00 0.46 H new ATOM 0 HB3 ARG A 26 -9.771 8.140 -2.623 1.00 0.46 H new ATOM 0 HG2 ARG A 26 -11.689 9.066 -1.810 1.00 0.50 H new ATOM 0 HG3 ARG A 26 -11.020 9.019 -0.191 1.00 0.50 H new ATOM 0 HD2 ARG A 26 -11.614 11.369 -0.775 1.00 0.49 H new ATOM 0 HD3 ARG A 26 -9.873 11.241 -0.613 1.00 0.49 H new ATOM 0 HE ARG A 26 -10.322 10.576 -3.334 1.00 0.57 H new ATOM 0 HH11 ARG A 26 -9.323 13.235 -1.770 1.00 0.60 H new ATOM 0 HH12 ARG A 26 -10.146 14.430 -2.778 1.00 0.60 H new ATOM 0 HH21 ARG A 26 -12.169 12.065 -4.341 1.00 0.81 H new ATOM 0 HH22 ARG A 26 -11.740 13.774 -4.218 1.00 0.81 H new ATOM 434 N GLN A 27 -6.582 7.735 -1.521 1.00 0.38 N ATOM 435 CA GLN A 27 -5.418 6.999 -2.107 1.00 0.40 C ATOM 436 C GLN A 27 -4.864 5.993 -1.092 1.00 0.39 C ATOM 437 O GLN A 27 -4.555 4.866 -1.437 1.00 0.43 O ATOM 438 CB GLN A 27 -4.382 8.081 -2.422 1.00 0.40 C ATOM 439 CG GLN A 27 -3.323 7.522 -3.379 1.00 0.47 C ATOM 440 CD GLN A 27 -1.956 8.104 -3.018 1.00 0.50 C ATOM 441 OE1 GLN A 27 -1.146 7.444 -2.395 1.00 0.55 O ATOM 442 NE2 GLN A 27 -1.663 9.321 -3.373 1.00 0.69 N ATOM 0 H GLN A 27 -6.420 8.725 -1.338 1.00 0.38 H new ATOM 0 HA GLN A 27 -5.691 6.431 -2.996 1.00 0.40 H new ATOM 0 HB2 GLN A 27 -4.871 8.946 -2.871 1.00 0.40 H new ATOM 0 HB3 GLN A 27 -3.909 8.424 -1.502 1.00 0.40 H new ATOM 0 HG2 GLN A 27 -3.296 6.434 -3.314 1.00 0.47 H new ATOM 0 HG3 GLN A 27 -3.578 7.774 -4.408 1.00 0.47 H new ATOM 0 HE21 GLN A 27 -2.340 9.877 -3.895 1.00 0.69 H new ATOM 0 HE22 GLN A 27 -0.756 9.719 -3.129 1.00 0.69 H new ATOM 451 N ASN A 28 -4.763 6.375 0.160 1.00 0.36 N ATOM 452 CA ASN A 28 -4.262 5.411 1.191 1.00 0.38 C ATOM 453 C ASN A 28 -5.307 4.309 1.405 1.00 0.41 C ATOM 454 O ASN A 28 -4.973 3.160 1.632 1.00 0.46 O ATOM 455 CB ASN A 28 -4.053 6.236 2.468 1.00 0.39 C ATOM 456 CG ASN A 28 -2.946 5.606 3.316 1.00 0.44 C ATOM 457 OD1 ASN A 28 -1.831 5.443 2.862 1.00 0.50 O ATOM 458 ND2 ASN A 28 -3.203 5.242 4.537 1.00 0.52 N ATOM 0 H ASN A 28 -5.003 7.303 0.509 1.00 0.36 H new ATOM 0 HA ASN A 28 -3.334 4.923 0.892 1.00 0.38 H new ATOM 0 HB2 ASN A 28 -3.788 7.261 2.210 1.00 0.39 H new ATOM 0 HB3 ASN A 28 -4.980 6.281 3.039 1.00 0.39 H new ATOM 0 HD21 ASN A 28 -2.470 4.822 5.109 1.00 0.52 H new ATOM 0 HD22 ASN A 28 -4.137 5.377 4.923 1.00 0.52 H new ATOM 465 N LEU A 29 -6.571 4.644 1.284 1.00 0.40 N ATOM 466 CA LEU A 29 -7.642 3.616 1.432 1.00 0.45 C ATOM 467 C LEU A 29 -7.596 2.713 0.199 1.00 0.48 C ATOM 468 O LEU A 29 -7.671 1.501 0.299 1.00 0.53 O ATOM 469 CB LEU A 29 -8.958 4.418 1.533 1.00 0.47 C ATOM 470 CG LEU A 29 -9.941 4.038 0.416 1.00 0.54 C ATOM 471 CD1 LEU A 29 -10.575 2.681 0.724 1.00 0.63 C ATOM 472 CD2 LEU A 29 -11.040 5.096 0.329 1.00 0.58 C ATOM 0 H LEU A 29 -6.904 5.588 1.089 1.00 0.40 H new ATOM 0 HA LEU A 29 -7.534 2.974 2.306 1.00 0.45 H new ATOM 0 HB2 LEU A 29 -9.421 4.237 2.503 1.00 0.47 H new ATOM 0 HB3 LEU A 29 -8.740 5.484 1.478 1.00 0.47 H new ATOM 0 HG LEU A 29 -9.405 3.981 -0.531 1.00 0.54 H new ATOM 0 HD11 LEU A 29 -11.272 2.416 -0.071 1.00 0.63 H new ATOM 0 HD12 LEU A 29 -9.795 1.922 0.792 1.00 0.63 H new ATOM 0 HD13 LEU A 29 -11.111 2.736 1.672 1.00 0.63 H new ATOM 0 HD21 LEU A 29 -11.740 4.829 -0.463 1.00 0.58 H new ATOM 0 HD22 LEU A 29 -11.571 5.148 1.280 1.00 0.58 H new ATOM 0 HD23 LEU A 29 -10.595 6.066 0.108 1.00 0.58 H new ATOM 484 N GLN A 30 -7.445 3.306 -0.962 1.00 0.48 N ATOM 485 CA GLN A 30 -7.361 2.495 -2.207 1.00 0.54 C ATOM 486 C GLN A 30 -6.180 1.533 -2.095 1.00 0.54 C ATOM 487 O GLN A 30 -6.306 0.341 -2.305 1.00 0.59 O ATOM 488 CB GLN A 30 -7.132 3.500 -3.340 1.00 0.55 C ATOM 489 CG GLN A 30 -8.476 3.964 -3.902 1.00 0.61 C ATOM 490 CD GLN A 30 -8.234 4.977 -5.021 1.00 0.65 C ATOM 491 OE1 GLN A 30 -7.995 6.138 -4.764 1.00 0.68 O ATOM 492 NE2 GLN A 30 -8.282 4.586 -6.261 1.00 0.76 N ATOM 0 H GLN A 30 -7.377 4.315 -1.096 1.00 0.48 H new ATOM 0 HA GLN A 30 -8.259 1.903 -2.383 1.00 0.54 H new ATOM 0 HB2 GLN A 30 -6.567 4.356 -2.970 1.00 0.55 H new ATOM 0 HB3 GLN A 30 -6.536 3.042 -4.130 1.00 0.55 H new ATOM 0 HG2 GLN A 30 -9.038 3.111 -4.283 1.00 0.61 H new ATOM 0 HG3 GLN A 30 -9.077 4.414 -3.112 1.00 0.61 H new ATOM 0 HE21 GLN A 30 -8.483 3.610 -6.481 1.00 0.76 H new ATOM 0 HE22 GLN A 30 -8.119 5.255 -7.013 1.00 0.76 H new ATOM 501 N ASN A 31 -5.038 2.055 -1.729 1.00 0.51 N ATOM 502 CA ASN A 31 -3.829 1.193 -1.560 1.00 0.54 C ATOM 503 C ASN A 31 -4.131 0.081 -0.555 1.00 0.54 C ATOM 504 O ASN A 31 -3.897 -1.081 -0.811 1.00 0.58 O ATOM 505 CB ASN A 31 -2.737 2.126 -1.027 1.00 0.54 C ATOM 506 CG ASN A 31 -1.973 2.743 -2.195 1.00 0.59 C ATOM 507 OD1 ASN A 31 -1.013 2.179 -2.673 1.00 0.71 O ATOM 508 ND2 ASN A 31 -2.362 3.886 -2.684 1.00 0.58 N ATOM 0 H ASN A 31 -4.890 3.046 -1.539 1.00 0.51 H new ATOM 0 HA ASN A 31 -3.523 0.715 -2.490 1.00 0.54 H new ATOM 0 HB2 ASN A 31 -3.182 2.911 -0.416 1.00 0.54 H new ATOM 0 HB3 ASN A 31 -2.053 1.571 -0.385 1.00 0.54 H new ATOM 0 HD21 ASN A 31 -1.859 4.304 -3.467 1.00 0.58 H new ATOM 0 HD22 ASN A 31 -3.170 4.363 -2.284 1.00 0.58 H new ATOM 515 N LEU A 32 -4.676 0.441 0.575 1.00 0.51 N ATOM 516 CA LEU A 32 -5.032 -0.569 1.607 1.00 0.53 C ATOM 517 C LEU A 32 -5.993 -1.589 1.007 1.00 0.55 C ATOM 518 O LEU A 32 -5.812 -2.772 1.152 1.00 0.57 O ATOM 519 CB LEU A 32 -5.708 0.226 2.730 1.00 0.54 C ATOM 520 CG LEU A 32 -5.783 -0.626 3.999 1.00 0.60 C ATOM 521 CD1 LEU A 32 -5.183 0.153 5.168 1.00 0.71 C ATOM 522 CD2 LEU A 32 -7.246 -0.953 4.311 1.00 0.74 C ATOM 0 H LEU A 32 -4.892 1.405 0.828 1.00 0.51 H new ATOM 0 HA LEU A 32 -4.166 -1.119 1.976 1.00 0.53 H new ATOM 0 HB2 LEU A 32 -5.148 1.140 2.928 1.00 0.54 H new ATOM 0 HB3 LEU A 32 -6.710 0.526 2.423 1.00 0.54 H new ATOM 0 HG LEU A 32 -5.226 -1.551 3.847 1.00 0.60 H new ATOM 0 HD11 LEU A 32 -5.235 -0.452 6.073 1.00 0.71 H new ATOM 0 HD12 LEU A 32 -4.142 0.391 4.950 1.00 0.71 H new ATOM 0 HD13 LEU A 32 -5.743 1.076 5.316 1.00 0.71 H new ATOM 0 HD21 LEU A 32 -7.298 -1.560 5.215 1.00 0.74 H new ATOM 0 HD22 LEU A 32 -7.801 -0.027 4.463 1.00 0.74 H new ATOM 0 HD23 LEU A 32 -7.681 -1.505 3.478 1.00 0.74 H new ATOM 534 N PHE A 33 -6.995 -1.133 0.310 1.00 0.55 N ATOM 535 CA PHE A 33 -7.960 -2.081 -0.326 1.00 0.60 C ATOM 536 C PHE A 33 -7.222 -3.008 -1.301 1.00 0.61 C ATOM 537 O PHE A 33 -7.414 -4.209 -1.291 1.00 0.65 O ATOM 538 CB PHE A 33 -8.968 -1.197 -1.066 1.00 0.63 C ATOM 539 CG PHE A 33 -10.266 -1.161 -0.294 1.00 0.70 C ATOM 540 CD1 PHE A 33 -10.326 -0.508 0.944 1.00 0.76 C ATOM 541 CD2 PHE A 33 -11.405 -1.784 -0.814 1.00 0.84 C ATOM 542 CE1 PHE A 33 -11.528 -0.478 1.661 1.00 0.87 C ATOM 543 CE2 PHE A 33 -12.607 -1.754 -0.097 1.00 0.95 C ATOM 544 CZ PHE A 33 -12.669 -1.100 1.141 1.00 0.93 C ATOM 0 H PHE A 33 -7.190 -0.145 0.151 1.00 0.55 H new ATOM 0 HA PHE A 33 -8.454 -2.721 0.405 1.00 0.60 H new ATOM 0 HB2 PHE A 33 -8.570 -0.188 -1.178 1.00 0.63 H new ATOM 0 HB3 PHE A 33 -9.140 -1.585 -2.070 1.00 0.63 H new ATOM 0 HD1 PHE A 33 -9.446 -0.028 1.345 1.00 0.76 H new ATOM 0 HD2 PHE A 33 -11.357 -2.288 -1.768 1.00 0.84 H new ATOM 0 HE1 PHE A 33 -11.575 0.025 2.615 1.00 0.87 H new ATOM 0 HE2 PHE A 33 -13.487 -2.235 -0.498 1.00 0.95 H new ATOM 0 HZ PHE A 33 -13.597 -1.076 1.693 1.00 0.93 H new ATOM 554 N ILE A 34 -6.364 -2.462 -2.131 1.00 0.60 N ATOM 555 CA ILE A 34 -5.603 -3.320 -3.096 1.00 0.64 C ATOM 556 C ILE A 34 -4.498 -4.101 -2.364 1.00 0.61 C ATOM 557 O ILE A 34 -4.287 -5.272 -2.619 1.00 0.64 O ATOM 558 CB ILE A 34 -5.000 -2.340 -4.112 1.00 0.68 C ATOM 559 CG1 ILE A 34 -6.106 -1.815 -5.033 1.00 0.74 C ATOM 560 CG2 ILE A 34 -3.939 -3.053 -4.958 1.00 0.77 C ATOM 561 CD1 ILE A 34 -5.993 -0.295 -5.154 1.00 0.79 C ATOM 0 H ILE A 34 -6.158 -1.464 -2.182 1.00 0.60 H new ATOM 0 HA ILE A 34 -6.239 -4.062 -3.579 1.00 0.64 H new ATOM 0 HB ILE A 34 -4.539 -1.510 -3.576 1.00 0.68 H new ATOM 0 HG12 ILE A 34 -6.023 -2.276 -6.017 1.00 0.74 H new ATOM 0 HG13 ILE A 34 -7.084 -2.087 -4.636 1.00 0.74 H new ATOM 0 HG21 ILE A 34 -3.515 -2.352 -5.677 1.00 0.77 H new ATOM 0 HG22 ILE A 34 -3.148 -3.429 -4.309 1.00 0.77 H new ATOM 0 HG23 ILE A 34 -4.398 -3.886 -5.491 1.00 0.77 H new ATOM 0 HD11 ILE A 34 -6.780 0.077 -5.809 1.00 0.79 H new ATOM 0 HD12 ILE A 34 -6.098 0.157 -4.168 1.00 0.79 H new ATOM 0 HD13 ILE A 34 -5.020 -0.035 -5.571 1.00 0.79 H new ATOM 573 N ASN A 35 -3.804 -3.469 -1.448 1.00 0.58 N ATOM 574 CA ASN A 35 -2.728 -4.169 -0.699 1.00 0.58 C ATOM 575 C ASN A 35 -3.347 -5.196 0.233 1.00 0.56 C ATOM 576 O ASN A 35 -2.909 -6.331 0.302 1.00 0.58 O ATOM 577 CB ASN A 35 -2.012 -3.068 0.092 1.00 0.59 C ATOM 578 CG ASN A 35 -0.790 -3.652 0.797 1.00 0.66 C ATOM 579 OD1 ASN A 35 -0.803 -3.852 1.990 1.00 0.71 O ATOM 580 ND2 ASN A 35 0.272 -3.938 0.104 1.00 0.77 N ATOM 0 H ASN A 35 -3.942 -2.492 -1.190 1.00 0.58 H new ATOM 0 HA ASN A 35 -2.036 -4.703 -1.350 1.00 0.58 H new ATOM 0 HB2 ASN A 35 -1.707 -2.265 -0.579 1.00 0.59 H new ATOM 0 HB3 ASN A 35 -2.692 -2.632 0.824 1.00 0.59 H new ATOM 0 HD21 ASN A 35 1.092 -4.330 0.566 1.00 0.77 H new ATOM 0 HD22 ASN A 35 0.285 -3.770 -0.902 1.00 0.77 H new ATOM 587 N PHE A 36 -4.373 -4.810 0.939 1.00 0.55 N ATOM 588 CA PHE A 36 -5.033 -5.772 1.864 1.00 0.57 C ATOM 589 C PHE A 36 -5.554 -6.975 1.070 1.00 0.57 C ATOM 590 O PHE A 36 -5.327 -8.116 1.429 1.00 0.58 O ATOM 591 CB PHE A 36 -6.185 -5.005 2.521 1.00 0.61 C ATOM 592 CG PHE A 36 -6.928 -5.913 3.470 1.00 0.72 C ATOM 593 CD1 PHE A 36 -6.329 -6.314 4.669 1.00 0.82 C ATOM 594 CD2 PHE A 36 -8.215 -6.358 3.147 1.00 0.83 C ATOM 595 CE1 PHE A 36 -7.018 -7.158 5.547 1.00 0.98 C ATOM 596 CE2 PHE A 36 -8.904 -7.203 4.024 1.00 0.99 C ATOM 597 CZ PHE A 36 -8.305 -7.604 5.224 1.00 1.04 C ATOM 0 H PHE A 36 -4.781 -3.875 0.916 1.00 0.55 H new ATOM 0 HA PHE A 36 -4.345 -6.156 2.617 1.00 0.57 H new ATOM 0 HB2 PHE A 36 -5.798 -4.140 3.059 1.00 0.61 H new ATOM 0 HB3 PHE A 36 -6.865 -4.627 1.757 1.00 0.61 H new ATOM 0 HD1 PHE A 36 -5.335 -5.972 4.917 1.00 0.82 H new ATOM 0 HD2 PHE A 36 -8.676 -6.049 2.221 1.00 0.83 H new ATOM 0 HE1 PHE A 36 -6.557 -7.465 6.474 1.00 0.98 H new ATOM 0 HE2 PHE A 36 -9.898 -7.546 3.775 1.00 0.99 H new ATOM 0 HZ PHE A 36 -8.836 -8.257 5.901 1.00 1.04 H new ATOM 607 N ALA A 37 -6.227 -6.718 -0.019 1.00 0.59 N ATOM 608 CA ALA A 37 -6.751 -7.829 -0.868 1.00 0.64 C ATOM 609 C ALA A 37 -5.583 -8.677 -1.389 1.00 0.62 C ATOM 610 O ALA A 37 -5.612 -9.893 -1.325 1.00 0.63 O ATOM 611 CB ALA A 37 -7.480 -7.137 -2.025 1.00 0.70 C ATOM 0 H ALA A 37 -6.438 -5.780 -0.360 1.00 0.59 H new ATOM 0 HA ALA A 37 -7.414 -8.499 -0.320 1.00 0.64 H new ATOM 0 HB1 ALA A 37 -7.895 -7.889 -2.696 1.00 0.70 H new ATOM 0 HB2 ALA A 37 -8.286 -6.519 -1.629 1.00 0.70 H new ATOM 0 HB3 ALA A 37 -6.778 -6.509 -2.574 1.00 0.70 H new ATOM 617 N LEU A 38 -4.547 -8.041 -1.887 1.00 0.62 N ATOM 618 CA LEU A 38 -3.368 -8.809 -2.393 1.00 0.64 C ATOM 619 C LEU A 38 -2.768 -9.639 -1.255 1.00 0.59 C ATOM 620 O LEU A 38 -2.520 -10.819 -1.406 1.00 0.60 O ATOM 621 CB LEU A 38 -2.372 -7.751 -2.885 1.00 0.70 C ATOM 622 CG LEU A 38 -2.719 -7.349 -4.320 1.00 0.78 C ATOM 623 CD1 LEU A 38 -1.928 -6.099 -4.705 1.00 0.85 C ATOM 624 CD2 LEU A 38 -2.357 -8.491 -5.271 1.00 0.91 C ATOM 0 H LEU A 38 -4.469 -7.027 -1.964 1.00 0.62 H new ATOM 0 HA LEU A 38 -3.633 -9.502 -3.191 1.00 0.64 H new ATOM 0 HB2 LEU A 38 -2.403 -6.877 -2.234 1.00 0.70 H new ATOM 0 HB3 LEU A 38 -1.357 -8.145 -2.842 1.00 0.70 H new ATOM 0 HG LEU A 38 -3.787 -7.141 -4.390 1.00 0.78 H new ATOM 0 HD11 LEU A 38 -2.175 -5.813 -5.727 1.00 0.85 H new ATOM 0 HD12 LEU A 38 -2.183 -5.284 -4.028 1.00 0.85 H new ATOM 0 HD13 LEU A 38 -0.861 -6.308 -4.635 1.00 0.85 H new ATOM 0 HD21 LEU A 38 -2.604 -8.205 -6.293 1.00 0.91 H new ATOM 0 HD22 LEU A 38 -1.289 -8.699 -5.200 1.00 0.91 H new ATOM 0 HD23 LEU A 38 -2.919 -9.384 -4.998 1.00 0.91 H new ATOM 636 N ILE A 39 -2.559 -9.043 -0.106 1.00 0.57 N ATOM 637 CA ILE A 39 -2.005 -9.828 1.041 1.00 0.58 C ATOM 638 C ILE A 39 -2.975 -10.971 1.366 1.00 0.54 C ATOM 639 O ILE A 39 -2.572 -12.102 1.557 1.00 0.55 O ATOM 640 CB ILE A 39 -1.906 -8.837 2.210 1.00 0.62 C ATOM 641 CG1 ILE A 39 -0.780 -7.834 1.937 1.00 0.69 C ATOM 642 CG2 ILE A 39 -1.599 -9.591 3.508 1.00 0.67 C ATOM 643 CD1 ILE A 39 -0.822 -6.720 2.987 1.00 0.74 C ATOM 0 H ILE A 39 -2.745 -8.059 0.086 1.00 0.57 H new ATOM 0 HA ILE A 39 -1.031 -10.269 0.827 1.00 0.58 H new ATOM 0 HB ILE A 39 -2.855 -8.311 2.310 1.00 0.62 H new ATOM 0 HG12 ILE A 39 0.186 -8.339 1.965 1.00 0.69 H new ATOM 0 HG13 ILE A 39 -0.889 -7.411 0.938 1.00 0.69 H new ATOM 0 HG21 ILE A 39 -1.530 -8.882 4.333 1.00 0.67 H new ATOM 0 HG22 ILE A 39 -2.396 -10.307 3.710 1.00 0.67 H new ATOM 0 HG23 ILE A 39 -0.652 -10.121 3.405 1.00 0.67 H new ATOM 0 HD11 ILE A 39 -0.021 -6.007 2.793 1.00 0.74 H new ATOM 0 HD12 ILE A 39 -1.783 -6.209 2.937 1.00 0.74 H new ATOM 0 HD13 ILE A 39 -0.691 -7.151 3.980 1.00 0.74 H new ATOM 655 N LEU A 40 -4.256 -10.682 1.400 1.00 0.54 N ATOM 656 CA LEU A 40 -5.261 -11.749 1.685 1.00 0.56 C ATOM 657 C LEU A 40 -5.207 -12.831 0.598 1.00 0.54 C ATOM 658 O LEU A 40 -5.149 -14.010 0.896 1.00 0.54 O ATOM 659 CB LEU A 40 -6.622 -11.042 1.681 1.00 0.64 C ATOM 660 CG LEU A 40 -7.407 -11.436 2.933 1.00 0.94 C ATOM 661 CD1 LEU A 40 -6.896 -10.632 4.128 1.00 1.15 C ATOM 662 CD2 LEU A 40 -8.890 -11.135 2.719 1.00 1.23 C ATOM 0 H LEU A 40 -4.645 -9.753 1.242 1.00 0.54 H new ATOM 0 HA LEU A 40 -5.072 -12.246 2.637 1.00 0.56 H new ATOM 0 HB2 LEU A 40 -6.482 -9.961 1.652 1.00 0.64 H new ATOM 0 HB3 LEU A 40 -7.183 -11.315 0.787 1.00 0.64 H new ATOM 0 HG LEU A 40 -7.274 -12.501 3.125 1.00 0.94 H new ATOM 0 HD11 LEU A 40 -7.455 -10.912 5.021 1.00 1.15 H new ATOM 0 HD12 LEU A 40 -5.838 -10.842 4.282 1.00 1.15 H new ATOM 0 HD13 LEU A 40 -7.031 -9.568 3.935 1.00 1.15 H new ATOM 0 HD21 LEU A 40 -9.451 -11.415 3.611 1.00 1.23 H new ATOM 0 HD22 LEU A 40 -9.021 -10.070 2.528 1.00 1.23 H new ATOM 0 HD23 LEU A 40 -9.257 -11.705 1.865 1.00 1.23 H new ATOM 674 N ILE A 41 -5.214 -12.448 -0.661 1.00 0.55 N ATOM 675 CA ILE A 41 -5.156 -13.478 -1.746 1.00 0.59 C ATOM 676 C ILE A 41 -3.813 -14.226 -1.693 1.00 0.55 C ATOM 677 O ILE A 41 -3.777 -15.436 -1.782 1.00 0.57 O ATOM 678 CB ILE A 41 -5.357 -12.713 -3.072 1.00 0.69 C ATOM 679 CG1 ILE A 41 -6.058 -13.627 -4.078 1.00 0.80 C ATOM 680 CG2 ILE A 41 -4.017 -12.258 -3.664 1.00 0.73 C ATOM 681 CD1 ILE A 41 -7.488 -13.137 -4.307 1.00 1.30 C ATOM 0 H ILE A 41 -5.257 -11.480 -0.978 1.00 0.55 H new ATOM 0 HA ILE A 41 -5.927 -14.241 -1.637 1.00 0.59 H new ATOM 0 HB ILE A 41 -5.962 -11.830 -2.867 1.00 0.69 H new ATOM 0 HG12 ILE A 41 -5.510 -13.635 -5.020 1.00 0.80 H new ATOM 0 HG13 ILE A 41 -6.069 -14.652 -3.707 1.00 0.80 H new ATOM 0 HG21 ILE A 41 -4.194 -11.723 -4.597 1.00 0.73 H new ATOM 0 HG22 ILE A 41 -3.512 -11.599 -2.958 1.00 0.73 H new ATOM 0 HG23 ILE A 41 -3.391 -13.129 -3.859 1.00 0.73 H new ATOM 0 HD11 ILE A 41 -7.986 -13.790 -5.024 1.00 1.30 H new ATOM 0 HD12 ILE A 41 -8.033 -13.152 -3.363 1.00 1.30 H new ATOM 0 HD13 ILE A 41 -7.466 -12.119 -4.697 1.00 1.30 H new ATOM 693 N PHE A 42 -2.716 -13.525 -1.518 1.00 0.55 N ATOM 694 CA PHE A 42 -1.391 -14.219 -1.434 1.00 0.58 C ATOM 695 C PHE A 42 -1.378 -15.176 -0.232 1.00 0.54 C ATOM 696 O PHE A 42 -0.795 -16.245 -0.281 1.00 0.58 O ATOM 697 CB PHE A 42 -0.355 -13.101 -1.253 1.00 0.65 C ATOM 698 CG PHE A 42 0.241 -12.747 -2.595 1.00 0.82 C ATOM 699 CD1 PHE A 42 1.194 -13.589 -3.180 1.00 1.16 C ATOM 700 CD2 PHE A 42 -0.161 -11.580 -3.256 1.00 0.93 C ATOM 701 CE1 PHE A 42 1.746 -13.264 -4.425 1.00 1.38 C ATOM 702 CE2 PHE A 42 0.389 -11.254 -4.502 1.00 1.12 C ATOM 703 CZ PHE A 42 1.343 -12.096 -5.086 1.00 1.27 C ATOM 0 H PHE A 42 -2.681 -12.509 -1.430 1.00 0.55 H new ATOM 0 HA PHE A 42 -1.180 -14.817 -2.321 1.00 0.58 H new ATOM 0 HB2 PHE A 42 -0.825 -12.224 -0.808 1.00 0.65 H new ATOM 0 HB3 PHE A 42 0.429 -13.424 -0.568 1.00 0.65 H new ATOM 0 HD1 PHE A 42 1.504 -14.490 -2.671 1.00 1.16 H new ATOM 0 HD2 PHE A 42 -0.896 -10.930 -2.804 1.00 0.93 H new ATOM 0 HE1 PHE A 42 2.482 -13.913 -4.876 1.00 1.38 H new ATOM 0 HE2 PHE A 42 0.078 -10.354 -5.012 1.00 1.12 H new ATOM 0 HZ PHE A 42 1.769 -11.845 -6.046 1.00 1.27 H new ATOM 713 N LEU A 43 -2.046 -14.809 0.835 1.00 0.51 N ATOM 714 CA LEU A 43 -2.109 -15.689 2.035 1.00 0.54 C ATOM 715 C LEU A 43 -3.086 -16.827 1.743 1.00 0.52 C ATOM 716 O LEU A 43 -2.784 -17.986 1.951 1.00 0.56 O ATOM 717 CB LEU A 43 -2.567 -14.770 3.192 1.00 0.60 C ATOM 718 CG LEU A 43 -3.882 -15.251 3.822 1.00 0.63 C ATOM 719 CD1 LEU A 43 -3.625 -16.487 4.684 1.00 0.73 C ATOM 720 CD2 LEU A 43 -4.450 -14.138 4.703 1.00 0.74 C ATOM 0 H LEU A 43 -2.554 -13.929 0.923 1.00 0.51 H new ATOM 0 HA LEU A 43 -1.160 -16.156 2.299 1.00 0.54 H new ATOM 0 HB2 LEU A 43 -1.790 -14.735 3.956 1.00 0.60 H new ATOM 0 HB3 LEU A 43 -2.694 -13.754 2.819 1.00 0.60 H new ATOM 0 HG LEU A 43 -4.589 -15.503 3.032 1.00 0.63 H new ATOM 0 HD11 LEU A 43 -4.562 -16.822 5.128 1.00 0.73 H new ATOM 0 HD12 LEU A 43 -3.211 -17.283 4.065 1.00 0.73 H new ATOM 0 HD13 LEU A 43 -2.918 -16.238 5.475 1.00 0.73 H new ATOM 0 HD21 LEU A 43 -5.384 -14.472 5.154 1.00 0.74 H new ATOM 0 HD22 LEU A 43 -3.734 -13.895 5.488 1.00 0.74 H new ATOM 0 HD23 LEU A 43 -4.637 -13.253 4.095 1.00 0.74 H new ATOM 732 N LEU A 44 -4.240 -16.506 1.215 1.00 0.51 N ATOM 733 CA LEU A 44 -5.212 -17.571 0.860 1.00 0.56 C ATOM 734 C LEU A 44 -4.576 -18.476 -0.202 1.00 0.55 C ATOM 735 O LEU A 44 -4.803 -19.670 -0.230 1.00 0.59 O ATOM 736 CB LEU A 44 -6.437 -16.839 0.299 1.00 0.64 C ATOM 737 CG LEU A 44 -7.325 -16.361 1.450 1.00 0.77 C ATOM 738 CD1 LEU A 44 -8.247 -15.246 0.955 1.00 0.85 C ATOM 739 CD2 LEU A 44 -8.173 -17.527 1.958 1.00 0.97 C ATOM 0 H LEU A 44 -4.546 -15.553 1.017 1.00 0.51 H new ATOM 0 HA LEU A 44 -5.492 -18.196 1.708 1.00 0.56 H new ATOM 0 HB2 LEU A 44 -6.120 -15.989 -0.305 1.00 0.64 H new ATOM 0 HB3 LEU A 44 -7.001 -17.503 -0.356 1.00 0.64 H new ATOM 0 HG LEU A 44 -6.697 -15.985 2.258 1.00 0.77 H new ATOM 0 HD11 LEU A 44 -8.879 -14.906 1.775 1.00 0.85 H new ATOM 0 HD12 LEU A 44 -7.647 -14.413 0.590 1.00 0.85 H new ATOM 0 HD13 LEU A 44 -8.873 -15.624 0.147 1.00 0.85 H new ATOM 0 HD21 LEU A 44 -8.806 -17.187 2.778 1.00 0.97 H new ATOM 0 HD22 LEU A 44 -8.799 -17.902 1.148 1.00 0.97 H new ATOM 0 HD23 LEU A 44 -7.520 -18.325 2.311 1.00 0.97 H new ATOM 751 N LEU A 45 -3.761 -17.909 -1.066 1.00 0.53 N ATOM 752 CA LEU A 45 -3.097 -18.736 -2.119 1.00 0.60 C ATOM 753 C LEU A 45 -2.019 -19.622 -1.496 1.00 0.59 C ATOM 754 O LEU A 45 -1.978 -20.818 -1.727 1.00 0.65 O ATOM 755 CB LEU A 45 -2.477 -17.732 -3.096 1.00 0.67 C ATOM 756 CG LEU A 45 -3.508 -17.341 -4.157 1.00 0.79 C ATOM 757 CD1 LEU A 45 -3.056 -16.061 -4.859 1.00 0.85 C ATOM 758 CD2 LEU A 45 -3.632 -18.466 -5.186 1.00 0.97 C ATOM 0 H LEU A 45 -3.531 -16.915 -1.084 1.00 0.53 H new ATOM 0 HA LEU A 45 -3.801 -19.401 -2.620 1.00 0.60 H new ATOM 0 HB2 LEU A 45 -2.141 -16.846 -2.557 1.00 0.67 H new ATOM 0 HB3 LEU A 45 -1.599 -18.168 -3.572 1.00 0.67 H new ATOM 0 HG LEU A 45 -4.474 -17.174 -3.680 1.00 0.79 H new ATOM 0 HD11 LEU A 45 -3.790 -15.782 -5.615 1.00 0.85 H new ATOM 0 HD12 LEU A 45 -2.965 -15.258 -4.128 1.00 0.85 H new ATOM 0 HD13 LEU A 45 -2.090 -16.229 -5.336 1.00 0.85 H new ATOM 0 HD21 LEU A 45 -4.366 -18.188 -5.942 1.00 0.97 H new ATOM 0 HD22 LEU A 45 -2.666 -18.632 -5.662 1.00 0.97 H new ATOM 0 HD23 LEU A 45 -3.953 -19.381 -4.688 1.00 0.97 H new ATOM 770 N ILE A 46 -1.165 -19.054 -0.686 1.00 0.57 N ATOM 771 CA ILE A 46 -0.106 -19.879 -0.026 1.00 0.63 C ATOM 772 C ILE A 46 -0.774 -20.924 0.880 1.00 0.60 C ATOM 773 O ILE A 46 -0.332 -22.054 0.963 1.00 0.66 O ATOM 774 CB ILE A 46 0.779 -18.892 0.762 1.00 0.70 C ATOM 775 CG1 ILE A 46 2.185 -19.478 0.910 1.00 0.87 C ATOM 776 CG2 ILE A 46 0.202 -18.624 2.156 1.00 0.68 C ATOM 777 CD1 ILE A 46 3.222 -18.400 0.597 1.00 1.36 C ATOM 0 H ILE A 46 -1.153 -18.061 -0.453 1.00 0.57 H new ATOM 0 HA ILE A 46 0.508 -20.431 -0.738 1.00 0.63 H new ATOM 0 HB ILE A 46 0.814 -17.951 0.212 1.00 0.70 H new ATOM 0 HG12 ILE A 46 2.329 -19.853 1.923 1.00 0.87 H new ATOM 0 HG13 ILE A 46 2.310 -20.325 0.236 1.00 0.87 H new ATOM 0 HG21 ILE A 46 0.847 -17.925 2.688 1.00 0.68 H new ATOM 0 HG22 ILE A 46 -0.796 -18.197 2.061 1.00 0.68 H new ATOM 0 HG23 ILE A 46 0.144 -19.560 2.712 1.00 0.68 H new ATOM 0 HD11 ILE A 46 4.224 -18.817 0.702 1.00 1.36 H new ATOM 0 HD12 ILE A 46 3.082 -18.046 -0.424 1.00 1.36 H new ATOM 0 HD13 ILE A 46 3.101 -17.567 1.289 1.00 1.36 H new ATOM 789 N ALA A 47 -1.861 -20.563 1.528 1.00 0.55 N ATOM 790 CA ALA A 47 -2.581 -21.545 2.393 1.00 0.59 C ATOM 791 C ALA A 47 -3.116 -22.693 1.526 1.00 0.62 C ATOM 792 O ALA A 47 -2.987 -23.851 1.872 1.00 0.68 O ATOM 793 CB ALA A 47 -3.733 -20.761 3.033 1.00 0.63 C ATOM 0 H ALA A 47 -2.276 -19.632 1.492 1.00 0.55 H new ATOM 0 HA ALA A 47 -1.935 -21.985 3.153 1.00 0.59 H new ATOM 0 HB1 ALA A 47 -4.306 -21.422 3.683 1.00 0.63 H new ATOM 0 HB2 ALA A 47 -3.330 -19.935 3.619 1.00 0.63 H new ATOM 0 HB3 ALA A 47 -4.383 -20.367 2.252 1.00 0.63 H new ATOM 799 N ILE A 48 -3.698 -22.379 0.390 1.00 0.63 N ATOM 800 CA ILE A 48 -4.220 -23.456 -0.511 1.00 0.74 C ATOM 801 C ILE A 48 -3.057 -24.344 -0.976 1.00 0.77 C ATOM 802 O ILE A 48 -3.156 -25.557 -0.977 1.00 0.85 O ATOM 803 CB ILE A 48 -4.864 -22.718 -1.697 1.00 0.84 C ATOM 804 CG1 ILE A 48 -6.193 -22.098 -1.255 1.00 0.90 C ATOM 805 CG2 ILE A 48 -5.132 -23.697 -2.846 1.00 0.98 C ATOM 806 CD1 ILE A 48 -6.618 -21.026 -2.262 1.00 1.00 C ATOM 0 H ILE A 48 -3.833 -21.427 0.050 1.00 0.63 H new ATOM 0 HA ILE A 48 -4.941 -24.107 -0.016 1.00 0.74 H new ATOM 0 HB ILE A 48 -4.182 -21.938 -2.036 1.00 0.84 H new ATOM 0 HG12 ILE A 48 -6.960 -22.869 -1.184 1.00 0.90 H new ATOM 0 HG13 ILE A 48 -6.089 -21.659 -0.263 1.00 0.90 H new ATOM 0 HG21 ILE A 48 -5.588 -23.163 -3.680 1.00 0.98 H new ATOM 0 HG22 ILE A 48 -4.192 -24.143 -3.171 1.00 0.98 H new ATOM 0 HG23 ILE A 48 -5.807 -24.482 -2.505 1.00 0.98 H new ATOM 0 HD11 ILE A 48 -7.564 -20.585 -1.947 1.00 1.00 H new ATOM 0 HD12 ILE A 48 -5.854 -20.250 -2.311 1.00 1.00 H new ATOM 0 HD13 ILE A 48 -6.739 -21.479 -3.246 1.00 1.00 H new ATOM 818 N ILE A 49 -1.952 -23.746 -1.361 1.00 0.77 N ATOM 819 CA ILE A 49 -0.773 -24.551 -1.816 1.00 0.89 C ATOM 820 C ILE A 49 -0.313 -25.501 -0.704 1.00 0.91 C ATOM 821 O ILE A 49 0.118 -26.606 -0.966 1.00 1.03 O ATOM 822 CB ILE A 49 0.323 -23.529 -2.136 1.00 0.94 C ATOM 823 CG1 ILE A 49 -0.074 -22.699 -3.367 1.00 0.99 C ATOM 824 CG2 ILE A 49 1.646 -24.249 -2.417 1.00 1.10 C ATOM 825 CD1 ILE A 49 -0.257 -23.613 -4.584 1.00 1.14 C ATOM 0 H ILE A 49 -1.817 -22.735 -1.379 1.00 0.77 H new ATOM 0 HA ILE A 49 -1.014 -25.168 -2.682 1.00 0.89 H new ATOM 0 HB ILE A 49 0.445 -22.868 -1.278 1.00 0.94 H new ATOM 0 HG12 ILE A 49 -0.999 -22.158 -3.167 1.00 0.99 H new ATOM 0 HG13 ILE A 49 0.693 -21.953 -3.575 1.00 0.99 H new ATOM 0 HG21 ILE A 49 2.419 -23.515 -2.643 1.00 1.10 H new ATOM 0 HG22 ILE A 49 1.940 -24.826 -1.540 1.00 1.10 H new ATOM 0 HG23 ILE A 49 1.522 -24.919 -3.268 1.00 1.10 H new ATOM 0 HD11 ILE A 49 -0.538 -23.014 -5.450 1.00 1.14 H new ATOM 0 HD12 ILE A 49 0.678 -24.134 -4.791 1.00 1.14 H new ATOM 0 HD13 ILE A 49 -1.041 -24.342 -4.377 1.00 1.14 H new ATOM 837 N VAL A 50 -0.421 -25.086 0.533 1.00 0.84 N ATOM 838 CA VAL A 50 -0.008 -25.975 1.666 1.00 0.93 C ATOM 839 C VAL A 50 -0.782 -27.296 1.576 1.00 0.98 C ATOM 840 O VAL A 50 -0.214 -28.367 1.678 1.00 1.10 O ATOM 841 CB VAL A 50 -0.370 -25.205 2.946 1.00 0.89 C ATOM 842 CG1 VAL A 50 -0.189 -26.109 4.169 1.00 1.02 C ATOM 843 CG2 VAL A 50 0.549 -23.988 3.089 1.00 0.93 C ATOM 0 H VAL A 50 -0.777 -24.171 0.809 1.00 0.84 H new ATOM 0 HA VAL A 50 1.054 -26.219 1.647 1.00 0.93 H new ATOM 0 HB VAL A 50 -1.409 -24.882 2.882 1.00 0.89 H new ATOM 0 HG11 VAL A 50 -0.448 -25.556 5.072 1.00 1.02 H new ATOM 0 HG12 VAL A 50 -0.839 -26.979 4.078 1.00 1.02 H new ATOM 0 HG13 VAL A 50 0.849 -26.437 4.229 1.00 1.02 H new ATOM 0 HG21 VAL A 50 0.292 -23.442 3.997 1.00 0.93 H new ATOM 0 HG22 VAL A 50 1.586 -24.320 3.146 1.00 0.93 H new ATOM 0 HG23 VAL A 50 0.424 -23.335 2.225 1.00 0.93 H new ATOM 853 N MET A 51 -2.074 -27.224 1.366 1.00 0.93 N ATOM 854 CA MET A 51 -2.887 -28.463 1.244 1.00 1.04 C ATOM 855 C MET A 51 -2.799 -29.037 -0.185 1.00 1.12 C ATOM 856 O MET A 51 -3.183 -30.165 -0.425 1.00 1.24 O ATOM 857 CB MET A 51 -4.316 -28.026 1.568 1.00 1.04 C ATOM 858 CG MET A 51 -4.382 -27.539 3.018 1.00 1.03 C ATOM 859 SD MET A 51 -5.980 -26.746 3.314 1.00 1.10 S ATOM 860 CE MET A 51 -5.706 -25.316 2.243 1.00 0.96 C ATOM 0 H MET A 51 -2.598 -26.354 1.274 1.00 0.93 H new ATOM 0 HA MET A 51 -2.538 -29.251 1.911 1.00 1.04 H new ATOM 0 HB2 MET A 51 -4.627 -27.230 0.891 1.00 1.04 H new ATOM 0 HB3 MET A 51 -5.005 -28.858 1.420 1.00 1.04 H new ATOM 0 HG2 MET A 51 -4.248 -28.378 3.701 1.00 1.03 H new ATOM 0 HG3 MET A 51 -3.573 -26.836 3.214 1.00 1.03 H new ATOM 0 HE1 MET A 51 -5.803 -24.400 2.826 1.00 0.96 H new ATOM 0 HE2 MET A 51 -4.705 -25.369 1.815 1.00 0.96 H new ATOM 0 HE3 MET A 51 -6.444 -25.315 1.441 1.00 0.96 H new ATOM 870 N LEU A 52 -2.296 -28.274 -1.135 1.00 1.11 N ATOM 871 CA LEU A 52 -2.189 -28.794 -2.538 1.00 1.26 C ATOM 872 C LEU A 52 -0.720 -28.862 -2.981 1.00 1.35 C ATOM 873 O LEU A 52 -0.392 -28.567 -4.116 1.00 1.46 O ATOM 874 CB LEU A 52 -2.964 -27.792 -3.393 1.00 1.27 C ATOM 875 CG LEU A 52 -4.235 -28.454 -3.930 1.00 1.54 C ATOM 876 CD1 LEU A 52 -5.457 -27.808 -3.279 1.00 1.72 C ATOM 877 CD2 LEU A 52 -4.306 -28.266 -5.447 1.00 1.87 C ATOM 0 H LEU A 52 -1.958 -27.321 -0.998 1.00 1.11 H new ATOM 0 HA LEU A 52 -2.588 -29.804 -2.630 1.00 1.26 H new ATOM 0 HB2 LEU A 52 -3.221 -26.914 -2.800 1.00 1.27 H new ATOM 0 HB3 LEU A 52 -2.344 -27.447 -4.220 1.00 1.27 H new ATOM 0 HG LEU A 52 -4.218 -29.519 -3.697 1.00 1.54 H new ATOM 0 HD11 LEU A 52 -6.364 -28.278 -3.660 1.00 1.72 H new ATOM 0 HD12 LEU A 52 -5.406 -27.941 -2.198 1.00 1.72 H new ATOM 0 HD13 LEU A 52 -5.474 -26.744 -3.513 1.00 1.72 H new ATOM 0 HD21 LEU A 52 -5.211 -28.737 -5.830 1.00 1.87 H new ATOM 0 HD22 LEU A 52 -4.324 -27.202 -5.681 1.00 1.87 H new ATOM 0 HD23 LEU A 52 -3.433 -28.725 -5.912 1.00 1.87 H new ATOM 889 N LEU A 53 0.158 -29.249 -2.098 1.00 1.37 N ATOM 890 CA LEU A 53 1.601 -29.340 -2.459 1.00 1.53 C ATOM 891 C LEU A 53 1.945 -30.748 -2.971 1.00 1.72 C ATOM 892 O LEU A 53 1.597 -31.709 -2.299 1.00 1.75 O ATOM 893 CB LEU A 53 2.356 -29.038 -1.161 1.00 1.54 C ATOM 894 CG LEU A 53 3.690 -28.360 -1.488 1.00 1.72 C ATOM 895 CD1 LEU A 53 3.704 -26.942 -0.913 1.00 2.02 C ATOM 896 CD2 LEU A 53 4.832 -29.168 -0.870 1.00 1.88 C ATOM 897 OXT LEU A 53 2.555 -30.839 -4.024 1.00 1.89 O ATOM 0 H LEU A 53 -0.063 -29.508 -1.136 1.00 1.37 H new ATOM 0 HA LEU A 53 1.866 -28.646 -3.257 1.00 1.53 H new ATOM 0 HB2 LEU A 53 1.755 -28.392 -0.521 1.00 1.54 H new ATOM 0 HB3 LEU A 53 2.531 -29.960 -0.607 1.00 1.54 H new ATOM 0 HG LEU A 53 3.815 -28.312 -2.570 1.00 1.72 H new ATOM 0 HD11 LEU A 53 4.655 -26.463 -1.148 1.00 2.02 H new ATOM 0 HD12 LEU A 53 2.889 -26.364 -1.350 1.00 2.02 H new ATOM 0 HD13 LEU A 53 3.578 -26.987 0.169 1.00 2.02 H new ATOM 0 HD21 LEU A 53 5.783 -28.689 -1.101 1.00 1.88 H new ATOM 0 HD22 LEU A 53 4.702 -29.214 0.211 1.00 1.88 H new ATOM 0 HD23 LEU A 53 4.826 -30.178 -1.280 1.00 1.88 H new TER 909 LEU A 53