USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=9 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 Set 1.1: A 31 ASN : amide:sc= -0.0408 K(o=1.1,f=0.38) USER MOD Set 1.2: A 35 ASN : amide:sc= 1.17 K(o=1.1,f=-0.17) USER MOD Set 2.1: A 24 GLN : amide:sc= 0.917 K(o=1.9,f=0.66) USER MOD Set 2.2: A 28 ASN : amide:sc= 0.936 K(o=1.9,f=0.66) USER MOD Single : A 1 ALA N :NH3+ -116:sc= 0.0927 (180deg=0) USER MOD Single : A 2 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 158:sc= 0.907 (180deg=0.718) USER MOD Single : A 6 GLN : amide:sc= 0.281 K(o=0.28,f=-8.2!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 123:sc= 0.919 USER MOD Single : A 11 SER OG : rot 120:sc= 0.95 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 170:sc= -2.29 USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN :FLIP amide:sc= -0.388 F(o=-1.5,f=-0.39) USER MOD Single : A 27 GLN : amide:sc= -1.81 K(o=-1.8,f=-11!) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 MET CE :methyl -123:sc= -1.82 (180deg=-4.34!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.506 22.157 -7.901 1.00 0.72 N ATOM 2 CA ALA A 1 20.442 23.168 -7.606 1.00 0.61 C ATOM 3 C ALA A 1 19.642 22.762 -6.359 1.00 0.54 C ATOM 4 O ALA A 1 19.769 21.654 -5.868 1.00 0.52 O ATOM 5 CB ALA A 1 19.540 23.165 -8.844 1.00 0.71 C ATOM 0 H1 ALA A 1 22.442 22.599 -7.802 1.00 0.72 H new ATOM 0 H2 ALA A 1 21.426 21.364 -7.233 1.00 0.72 H new ATOM 0 H3 ALA A 1 21.390 21.805 -8.873 1.00 0.72 H new ATOM 0 HA ALA A 1 20.860 24.154 -7.403 1.00 0.61 H new ATOM 0 HB1 ALA A 1 18.731 23.883 -8.707 1.00 0.71 H new ATOM 0 HB2 ALA A 1 20.125 23.441 -9.721 1.00 0.71 H new ATOM 0 HB3 ALA A 1 19.121 22.169 -8.986 1.00 0.71 H new ATOM 13 N MET A 2 18.820 23.648 -5.847 1.00 0.54 N ATOM 14 CA MET A 2 18.004 23.323 -4.633 1.00 0.52 C ATOM 15 C MET A 2 16.890 22.313 -4.975 1.00 0.46 C ATOM 16 O MET A 2 15.712 22.602 -4.874 1.00 0.50 O ATOM 17 CB MET A 2 17.422 24.673 -4.185 1.00 0.62 C ATOM 18 CG MET A 2 16.512 25.259 -5.274 1.00 0.66 C ATOM 19 SD MET A 2 17.297 26.727 -5.987 1.00 0.80 S ATOM 20 CE MET A 2 15.895 27.261 -6.999 1.00 1.50 C ATOM 0 H MET A 2 18.679 24.587 -6.220 1.00 0.54 H new ATOM 0 HA MET A 2 18.595 22.855 -3.846 1.00 0.52 H new ATOM 0 HB2 MET A 2 16.856 24.543 -3.262 1.00 0.62 H new ATOM 0 HB3 MET A 2 18.232 25.369 -3.967 1.00 0.62 H new ATOM 0 HG2 MET A 2 16.331 24.516 -6.051 1.00 0.66 H new ATOM 0 HG3 MET A 2 15.542 25.521 -4.851 1.00 0.66 H new ATOM 0 HE1 MET A 2 16.161 28.170 -7.539 1.00 1.50 H new ATOM 0 HE2 MET A 2 15.641 26.477 -7.712 1.00 1.50 H new ATOM 0 HE3 MET A 2 15.037 27.458 -6.357 1.00 1.50 H new ATOM 30 N GLU A 3 17.265 21.128 -5.380 1.00 0.42 N ATOM 31 CA GLU A 3 16.248 20.093 -5.739 1.00 0.41 C ATOM 32 C GLU A 3 15.878 19.241 -4.511 1.00 0.35 C ATOM 33 O GLU A 3 14.806 19.386 -3.951 1.00 0.33 O ATOM 34 CB GLU A 3 16.934 19.254 -6.825 1.00 0.47 C ATOM 35 CG GLU A 3 15.977 18.171 -7.340 1.00 0.51 C ATOM 36 CD GLU A 3 16.182 16.873 -6.557 1.00 0.50 C ATOM 37 OE1 GLU A 3 17.322 16.509 -6.323 1.00 0.64 O ATOM 38 OE2 GLU A 3 15.190 16.262 -6.194 1.00 0.49 O ATOM 0 H GLU A 3 18.236 20.830 -5.478 1.00 0.42 H new ATOM 0 HA GLU A 3 15.310 20.524 -6.088 1.00 0.41 H new ATOM 0 HB2 GLU A 3 17.245 19.896 -7.649 1.00 0.47 H new ATOM 0 HB3 GLU A 3 17.836 18.792 -6.423 1.00 0.47 H new ATOM 0 HG2 GLU A 3 14.945 18.508 -7.237 1.00 0.51 H new ATOM 0 HG3 GLU A 3 16.151 17.996 -8.402 1.00 0.51 H new ATOM 45 N LYS A 4 16.748 18.352 -4.091 1.00 0.35 N ATOM 46 CA LYS A 4 16.440 17.482 -2.907 1.00 0.32 C ATOM 47 C LYS A 4 16.060 18.322 -1.683 1.00 0.30 C ATOM 48 O LYS A 4 15.166 17.969 -0.933 1.00 0.30 O ATOM 49 CB LYS A 4 17.727 16.691 -2.646 1.00 0.37 C ATOM 50 CG LYS A 4 17.382 15.223 -2.372 1.00 0.43 C ATOM 51 CD LYS A 4 17.012 14.526 -3.686 1.00 0.50 C ATOM 52 CE LYS A 4 15.524 14.164 -3.678 1.00 0.44 C ATOM 53 NZ LYS A 4 15.148 14.051 -5.116 1.00 0.47 N ATOM 0 H LYS A 4 17.660 18.190 -4.517 1.00 0.35 H new ATOM 0 HA LYS A 4 15.589 16.829 -3.100 1.00 0.32 H new ATOM 0 HB2 LYS A 4 18.392 16.764 -3.507 1.00 0.37 H new ATOM 0 HB3 LYS A 4 18.260 17.115 -1.795 1.00 0.37 H new ATOM 0 HG2 LYS A 4 18.231 14.720 -1.909 1.00 0.43 H new ATOM 0 HG3 LYS A 4 16.551 15.160 -1.669 1.00 0.43 H new ATOM 0 HD2 LYS A 4 17.232 15.180 -4.530 1.00 0.50 H new ATOM 0 HD3 LYS A 4 17.614 13.626 -3.814 1.00 0.50 H new ATOM 0 HE2 LYS A 4 15.348 13.227 -3.149 1.00 0.44 H new ATOM 0 HE3 LYS A 4 14.934 14.930 -3.175 1.00 0.44 H new ATOM 0 HZ1 LYS A 4 14.294 13.464 -5.207 1.00 0.47 H new ATOM 0 HZ2 LYS A 4 14.959 14.998 -5.501 1.00 0.47 H new ATOM 0 HZ3 LYS A 4 15.928 13.612 -5.645 1.00 0.47 H new ATOM 67 N VAL A 5 16.726 19.428 -1.483 1.00 0.32 N ATOM 68 CA VAL A 5 16.408 20.305 -0.309 1.00 0.34 C ATOM 69 C VAL A 5 14.928 20.697 -0.324 1.00 0.32 C ATOM 70 O VAL A 5 14.240 20.601 0.675 1.00 0.33 O ATOM 71 CB VAL A 5 17.313 21.541 -0.442 1.00 0.39 C ATOM 72 CG1 VAL A 5 17.092 22.227 -1.792 1.00 0.41 C ATOM 73 CG2 VAL A 5 16.983 22.529 0.679 1.00 0.45 C ATOM 0 H VAL A 5 17.479 19.766 -2.082 1.00 0.32 H new ATOM 0 HA VAL A 5 16.587 19.794 0.637 1.00 0.34 H new ATOM 0 HB VAL A 5 18.353 21.223 -0.373 1.00 0.39 H new ATOM 0 HG11 VAL A 5 17.741 23.099 -1.867 1.00 0.41 H new ATOM 0 HG12 VAL A 5 17.326 21.530 -2.597 1.00 0.41 H new ATOM 0 HG13 VAL A 5 16.051 22.541 -1.875 1.00 0.41 H new ATOM 0 HG21 VAL A 5 17.622 23.408 0.589 1.00 0.45 H new ATOM 0 HG22 VAL A 5 15.938 22.831 0.602 1.00 0.45 H new ATOM 0 HG23 VAL A 5 17.153 22.053 1.645 1.00 0.45 H new ATOM 83 N GLN A 6 14.427 21.103 -1.456 1.00 0.32 N ATOM 84 CA GLN A 6 12.986 21.464 -1.546 1.00 0.32 C ATOM 85 C GLN A 6 12.164 20.183 -1.683 1.00 0.28 C ATOM 86 O GLN A 6 11.046 20.096 -1.213 1.00 0.27 O ATOM 87 CB GLN A 6 12.844 22.343 -2.795 1.00 0.37 C ATOM 88 CG GLN A 6 13.239 23.793 -2.470 1.00 0.43 C ATOM 89 CD GLN A 6 12.499 24.292 -1.221 1.00 0.45 C ATOM 90 OE1 GLN A 6 11.307 24.083 -1.069 1.00 0.45 O ATOM 91 NE2 GLN A 6 13.157 24.952 -0.314 1.00 0.62 N ATOM 0 H GLN A 6 14.954 21.201 -2.324 1.00 0.32 H new ATOM 0 HA GLN A 6 12.632 21.996 -0.663 1.00 0.32 H new ATOM 0 HB2 GLN A 6 13.476 21.957 -3.595 1.00 0.37 H new ATOM 0 HB3 GLN A 6 11.816 22.310 -3.157 1.00 0.37 H new ATOM 0 HG2 GLN A 6 14.315 23.854 -2.309 1.00 0.43 H new ATOM 0 HG3 GLN A 6 13.006 24.437 -3.318 1.00 0.43 H new ATOM 0 HE21 GLN A 6 14.154 25.130 -0.435 1.00 0.62 H new ATOM 0 HE22 GLN A 6 12.676 25.292 0.519 1.00 0.62 H new ATOM 100 N TYR A 7 12.734 19.179 -2.305 1.00 0.27 N ATOM 101 CA TYR A 7 12.021 17.874 -2.467 1.00 0.25 C ATOM 102 C TYR A 7 11.591 17.351 -1.094 1.00 0.24 C ATOM 103 O TYR A 7 10.443 17.001 -0.884 1.00 0.24 O ATOM 104 CB TYR A 7 13.043 16.931 -3.110 1.00 0.27 C ATOM 105 CG TYR A 7 12.326 15.788 -3.788 1.00 0.29 C ATOM 106 CD1 TYR A 7 11.772 14.754 -3.023 1.00 0.36 C ATOM 107 CD2 TYR A 7 12.214 15.762 -5.182 1.00 0.37 C ATOM 108 CE1 TYR A 7 11.105 13.696 -3.653 1.00 0.42 C ATOM 109 CE2 TYR A 7 11.548 14.704 -5.812 1.00 0.41 C ATOM 110 CZ TYR A 7 10.994 13.671 -5.047 1.00 0.40 C ATOM 111 OH TYR A 7 10.336 12.630 -5.668 1.00 0.47 O ATOM 0 H TYR A 7 13.670 19.209 -2.710 1.00 0.27 H new ATOM 0 HA TYR A 7 11.122 17.962 -3.077 1.00 0.25 H new ATOM 0 HB2 TYR A 7 13.648 17.475 -3.836 1.00 0.27 H new ATOM 0 HB3 TYR A 7 13.725 16.546 -2.351 1.00 0.27 H new ATOM 0 HD1 TYR A 7 11.859 14.773 -1.947 1.00 0.36 H new ATOM 0 HD2 TYR A 7 12.642 16.559 -5.773 1.00 0.37 H new ATOM 0 HE1 TYR A 7 10.676 12.900 -3.063 1.00 0.42 H new ATOM 0 HE2 TYR A 7 11.462 14.685 -6.888 1.00 0.41 H new ATOM 0 HH TYR A 7 10.349 12.767 -6.638 1.00 0.47 H new ATOM 121 N LEU A 8 12.504 17.311 -0.154 1.00 0.24 N ATOM 122 CA LEU A 8 12.147 16.829 1.215 1.00 0.26 C ATOM 123 C LEU A 8 11.351 17.913 1.964 1.00 0.26 C ATOM 124 O LEU A 8 10.475 17.614 2.753 1.00 0.30 O ATOM 125 CB LEU A 8 13.491 16.519 1.901 1.00 0.30 C ATOM 126 CG LEU A 8 14.172 17.804 2.387 1.00 0.37 C ATOM 127 CD1 LEU A 8 13.742 18.107 3.823 1.00 0.46 C ATOM 128 CD2 LEU A 8 15.688 17.614 2.351 1.00 0.44 C ATOM 0 H LEU A 8 13.477 17.590 -0.276 1.00 0.24 H new ATOM 0 HA LEU A 8 11.510 15.944 1.198 1.00 0.26 H new ATOM 0 HB2 LEU A 8 13.326 15.850 2.745 1.00 0.30 H new ATOM 0 HB3 LEU A 8 14.147 15.997 1.204 1.00 0.30 H new ATOM 0 HG LEU A 8 13.883 18.632 1.739 1.00 0.37 H new ATOM 0 HD11 LEU A 8 14.229 19.021 4.163 1.00 0.46 H new ATOM 0 HD12 LEU A 8 12.660 18.237 3.859 1.00 0.46 H new ATOM 0 HD13 LEU A 8 14.030 17.279 4.471 1.00 0.46 H new ATOM 0 HD21 LEU A 8 16.177 18.525 2.696 1.00 0.44 H new ATOM 0 HD22 LEU A 8 15.966 16.784 3.001 1.00 0.44 H new ATOM 0 HD23 LEU A 8 16.003 17.397 1.330 1.00 0.44 H new ATOM 140 N THR A 9 11.635 19.170 1.706 1.00 0.26 N ATOM 141 CA THR A 9 10.883 20.272 2.388 1.00 0.29 C ATOM 142 C THR A 9 9.447 20.328 1.850 1.00 0.26 C ATOM 143 O THR A 9 8.493 20.343 2.605 1.00 0.28 O ATOM 144 CB THR A 9 11.642 21.561 2.044 1.00 0.33 C ATOM 145 OG1 THR A 9 12.979 21.462 2.511 1.00 0.35 O ATOM 146 CG2 THR A 9 10.969 22.757 2.718 1.00 0.40 C ATOM 0 H THR A 9 12.355 19.479 1.053 1.00 0.26 H new ATOM 0 HA THR A 9 10.820 20.125 3.466 1.00 0.29 H new ATOM 0 HB THR A 9 11.634 21.699 0.963 1.00 0.33 H new ATOM 0 HG1 THR A 9 13.597 21.584 1.761 1.00 0.35 H new ATOM 0 HG21 THR A 9 11.513 23.668 2.469 1.00 0.40 H new ATOM 0 HG22 THR A 9 9.941 22.841 2.367 1.00 0.40 H new ATOM 0 HG23 THR A 9 10.973 22.615 3.799 1.00 0.40 H new ATOM 154 N ARG A 10 9.287 20.335 0.549 1.00 0.25 N ATOM 155 CA ARG A 10 7.915 20.369 -0.048 1.00 0.24 C ATOM 156 C ARG A 10 7.137 19.117 0.352 1.00 0.20 C ATOM 157 O ARG A 10 5.960 19.165 0.612 1.00 0.21 O ATOM 158 CB ARG A 10 8.135 20.387 -1.561 1.00 0.25 C ATOM 159 CG ARG A 10 8.539 21.793 -2.015 1.00 0.31 C ATOM 160 CD ARG A 10 7.317 22.712 -1.993 1.00 0.35 C ATOM 161 NE ARG A 10 7.872 24.070 -1.713 1.00 0.42 N ATOM 162 CZ ARG A 10 7.974 24.496 -0.491 1.00 0.45 C ATOM 163 NH1 ARG A 10 6.911 24.848 0.162 1.00 0.53 N ATOM 164 NH2 ARG A 10 9.140 24.572 0.069 1.00 0.45 N ATOM 0 H ARG A 10 10.050 20.319 -0.127 1.00 0.25 H new ATOM 0 HA ARG A 10 7.343 21.232 0.293 1.00 0.24 H new ATOM 0 HB2 ARG A 10 8.911 19.671 -1.832 1.00 0.25 H new ATOM 0 HB3 ARG A 10 7.224 20.078 -2.073 1.00 0.25 H new ATOM 0 HG2 ARG A 10 9.315 22.188 -1.360 1.00 0.31 H new ATOM 0 HG3 ARG A 10 8.959 21.755 -3.020 1.00 0.31 H new ATOM 0 HD2 ARG A 10 6.787 22.689 -2.945 1.00 0.35 H new ATOM 0 HD3 ARG A 10 6.606 22.408 -1.225 1.00 0.35 H new ATOM 0 HE ARG A 10 8.172 24.665 -2.485 1.00 0.42 H new ATOM 0 HH11 ARG A 10 5.996 24.790 -0.284 1.00 0.53 H new ATOM 0 HH12 ARG A 10 6.990 25.183 1.122 1.00 0.53 H new ATOM 0 HH21 ARG A 10 9.974 24.298 -0.450 1.00 0.45 H new ATOM 0 HH22 ARG A 10 9.224 24.906 1.029 1.00 0.45 H new ATOM 178 N SER A 11 7.804 18.003 0.407 1.00 0.19 N ATOM 179 CA SER A 11 7.139 16.719 0.799 1.00 0.18 C ATOM 180 C SER A 11 6.796 16.736 2.289 1.00 0.19 C ATOM 181 O SER A 11 5.784 16.209 2.716 1.00 0.20 O ATOM 182 CB SER A 11 8.178 15.642 0.521 1.00 0.20 C ATOM 183 OG SER A 11 8.475 15.618 -0.869 1.00 0.21 O ATOM 0 H SER A 11 8.798 17.919 0.195 1.00 0.19 H new ATOM 0 HA SER A 11 6.210 16.554 0.253 1.00 0.18 H new ATOM 0 HB2 SER A 11 9.084 15.839 1.094 1.00 0.20 H new ATOM 0 HB3 SER A 11 7.804 14.669 0.841 1.00 0.20 H new ATOM 0 HG SER A 11 9.428 15.804 -1.003 1.00 0.21 H new ATOM 189 N ALA A 12 7.637 17.354 3.078 1.00 0.21 N ATOM 190 CA ALA A 12 7.388 17.439 4.539 1.00 0.25 C ATOM 191 C ALA A 12 6.200 18.356 4.788 1.00 0.26 C ATOM 192 O ALA A 12 5.407 18.151 5.687 1.00 0.28 O ATOM 193 CB ALA A 12 8.665 18.045 5.112 1.00 0.30 C ATOM 0 H ALA A 12 8.495 17.807 2.763 1.00 0.21 H new ATOM 0 HA ALA A 12 7.159 16.475 4.994 1.00 0.25 H new ATOM 0 HB1 ALA A 12 8.567 18.144 6.193 1.00 0.30 H new ATOM 0 HB2 ALA A 12 9.510 17.397 4.882 1.00 0.30 H new ATOM 0 HB3 ALA A 12 8.831 19.028 4.671 1.00 0.30 H new ATOM 199 N ILE A 13 6.082 19.363 3.978 1.00 0.25 N ATOM 200 CA ILE A 13 4.949 20.313 4.114 1.00 0.27 C ATOM 201 C ILE A 13 3.791 19.897 3.193 1.00 0.24 C ATOM 202 O ILE A 13 2.664 20.306 3.388 1.00 0.26 O ATOM 203 CB ILE A 13 5.515 21.669 3.691 1.00 0.31 C ATOM 204 CG1 ILE A 13 4.606 22.788 4.210 1.00 0.36 C ATOM 205 CG2 ILE A 13 5.585 21.732 2.164 1.00 0.29 C ATOM 206 CD1 ILE A 13 5.312 24.136 4.059 1.00 0.59 C ATOM 0 H ILE A 13 6.729 19.572 3.218 1.00 0.25 H new ATOM 0 HA ILE A 13 4.551 20.338 5.128 1.00 0.27 H new ATOM 0 HB ILE A 13 6.514 21.795 4.108 1.00 0.31 H new ATOM 0 HG12 ILE A 13 3.667 22.794 3.656 1.00 0.36 H new ATOM 0 HG13 ILE A 13 4.357 22.612 5.257 1.00 0.36 H new ATOM 0 HG21 ILE A 13 5.988 22.697 1.858 1.00 0.29 H new ATOM 0 HG22 ILE A 13 6.232 20.936 1.796 1.00 0.29 H new ATOM 0 HG23 ILE A 13 4.585 21.608 1.749 1.00 0.29 H new ATOM 0 HD11 ILE A 13 4.663 24.930 4.429 1.00 0.59 H new ATOM 0 HD12 ILE A 13 6.239 24.128 4.633 1.00 0.59 H new ATOM 0 HD13 ILE A 13 5.538 24.313 3.007 1.00 0.59 H new ATOM 218 N ARG A 14 4.079 19.109 2.173 1.00 0.20 N ATOM 219 CA ARG A 14 3.024 18.668 1.194 1.00 0.18 C ATOM 220 C ARG A 14 1.704 18.405 1.903 1.00 0.18 C ATOM 221 O ARG A 14 0.660 18.849 1.466 1.00 0.21 O ATOM 222 CB ARG A 14 3.590 17.390 0.571 1.00 0.17 C ATOM 223 CG ARG A 14 2.468 16.428 0.181 1.00 0.18 C ATOM 224 CD ARG A 14 3.060 15.278 -0.633 1.00 0.21 C ATOM 225 NE ARG A 14 2.205 14.105 -0.302 1.00 0.21 N ATOM 226 CZ ARG A 14 2.713 13.040 0.233 1.00 0.24 C ATOM 227 NH1 ARG A 14 3.443 13.133 1.301 1.00 0.30 N ATOM 228 NH2 ARG A 14 2.469 11.885 -0.293 1.00 0.28 N ATOM 0 H ARG A 14 5.013 18.749 1.977 1.00 0.20 H new ATOM 0 HA ARG A 14 2.809 19.427 0.442 1.00 0.18 H new ATOM 0 HB2 ARG A 14 4.181 17.641 -0.310 1.00 0.17 H new ATOM 0 HB3 ARG A 14 4.262 16.903 1.278 1.00 0.17 H new ATOM 0 HG2 ARG A 14 1.975 16.043 1.074 1.00 0.18 H new ATOM 0 HG3 ARG A 14 1.709 16.951 -0.402 1.00 0.18 H new ATOM 0 HD2 ARG A 14 3.038 15.496 -1.701 1.00 0.21 H new ATOM 0 HD3 ARG A 14 4.101 15.098 -0.366 1.00 0.21 H new ATOM 0 HE ARG A 14 1.205 14.140 -0.499 1.00 0.21 H new ATOM 0 HH11 ARG A 14 3.618 14.046 1.721 1.00 0.30 H new ATOM 0 HH12 ARG A 14 3.842 12.293 1.721 1.00 0.30 H new ATOM 0 HH21 ARG A 14 1.880 11.817 -1.123 1.00 0.28 H new ATOM 0 HH22 ARG A 14 2.865 11.042 0.122 1.00 0.28 H new ATOM 242 N ARG A 15 1.759 17.718 3.004 1.00 0.18 N ATOM 243 CA ARG A 15 0.517 17.435 3.796 1.00 0.20 C ATOM 244 C ARG A 15 -0.347 18.701 3.896 1.00 0.24 C ATOM 245 O ARG A 15 -1.558 18.652 3.874 1.00 0.26 O ATOM 246 CB ARG A 15 0.951 17.031 5.216 1.00 0.24 C ATOM 247 CG ARG A 15 2.415 17.397 5.531 1.00 0.24 C ATOM 248 CD ARG A 15 3.304 16.159 5.345 1.00 0.24 C ATOM 249 NE ARG A 15 3.475 15.606 6.724 1.00 0.29 N ATOM 250 CZ ARG A 15 4.659 15.334 7.187 1.00 0.31 C ATOM 251 NH1 ARG A 15 5.591 16.232 7.162 1.00 0.34 N ATOM 252 NH2 ARG A 15 4.906 14.159 7.671 1.00 0.36 N ATOM 0 H ARG A 15 2.616 17.333 3.400 1.00 0.18 H new ATOM 0 HA ARG A 15 -0.059 16.646 3.312 1.00 0.20 H new ATOM 0 HB2 ARG A 15 0.298 17.517 5.941 1.00 0.24 H new ATOM 0 HB3 ARG A 15 0.818 15.956 5.338 1.00 0.24 H new ATOM 0 HG2 ARG A 15 2.750 18.200 4.874 1.00 0.24 H new ATOM 0 HG3 ARG A 15 2.497 17.766 6.553 1.00 0.24 H new ATOM 0 HD2 ARG A 15 2.837 15.432 4.681 1.00 0.24 H new ATOM 0 HD3 ARG A 15 4.264 16.424 4.902 1.00 0.24 H new ATOM 0 HE ARG A 15 2.655 15.441 7.307 1.00 0.29 H new ATOM 0 HH11 ARG A 15 5.398 17.157 6.778 1.00 0.34 H new ATOM 0 HH12 ARG A 15 6.519 16.015 7.526 1.00 0.34 H new ATOM 0 HH21 ARG A 15 4.173 13.450 7.688 1.00 0.36 H new ATOM 0 HH22 ARG A 15 5.834 13.942 8.035 1.00 0.36 H new ATOM 266 N ALA A 16 0.282 19.830 4.017 1.00 0.26 N ATOM 267 CA ALA A 16 -0.475 21.113 4.115 1.00 0.30 C ATOM 268 C ALA A 16 -0.214 22.004 2.895 1.00 0.32 C ATOM 269 O ALA A 16 -0.792 23.065 2.758 1.00 0.37 O ATOM 270 CB ALA A 16 0.093 21.774 5.359 1.00 0.35 C ATOM 0 H ALA A 16 1.297 19.925 4.053 1.00 0.26 H new ATOM 0 HA ALA A 16 -1.552 20.952 4.158 1.00 0.30 H new ATOM 0 HB1 ALA A 16 -0.402 22.732 5.520 1.00 0.35 H new ATOM 0 HB2 ALA A 16 -0.074 21.130 6.222 1.00 0.35 H new ATOM 0 HB3 ALA A 16 1.163 21.936 5.229 1.00 0.35 H new ATOM 276 N SER A 17 0.697 21.608 2.046 1.00 0.29 N ATOM 277 CA SER A 17 1.047 22.476 0.868 1.00 0.31 C ATOM 278 C SER A 17 0.783 21.821 -0.491 1.00 0.30 C ATOM 279 O SER A 17 0.620 22.508 -1.479 1.00 0.33 O ATOM 280 CB SER A 17 2.543 22.732 1.023 1.00 0.32 C ATOM 281 OG SER A 17 2.891 23.956 0.381 1.00 0.51 O ATOM 0 H SER A 17 1.213 20.731 2.110 1.00 0.29 H new ATOM 0 HA SER A 17 0.429 23.374 0.871 1.00 0.31 H new ATOM 0 HB2 SER A 17 2.806 22.777 2.080 1.00 0.32 H new ATOM 0 HB3 SER A 17 3.109 21.908 0.588 1.00 0.32 H new ATOM 0 HG SER A 17 3.852 24.118 0.484 1.00 0.51 H new ATOM 287 N THR A 18 0.760 20.520 -0.568 1.00 0.25 N ATOM 288 CA THR A 18 0.532 19.864 -1.902 1.00 0.26 C ATOM 289 C THR A 18 -0.238 18.555 -1.745 1.00 0.24 C ATOM 290 O THR A 18 -0.289 17.743 -2.648 1.00 0.25 O ATOM 291 CB THR A 18 1.924 19.598 -2.507 1.00 0.26 C ATOM 292 OG1 THR A 18 2.581 18.579 -1.772 1.00 0.23 O ATOM 293 CG2 THR A 18 2.776 20.868 -2.474 1.00 0.30 C ATOM 0 H THR A 18 0.886 19.883 0.219 1.00 0.25 H new ATOM 0 HA THR A 18 -0.064 20.507 -2.549 1.00 0.26 H new ATOM 0 HB THR A 18 1.794 19.283 -3.542 1.00 0.26 H new ATOM 0 HG1 THR A 18 3.390 18.301 -2.250 1.00 0.23 H new ATOM 0 HG21 THR A 18 3.755 20.660 -2.905 1.00 0.30 H new ATOM 0 HG22 THR A 18 2.284 21.651 -3.051 1.00 0.30 H new ATOM 0 HG23 THR A 18 2.897 21.199 -1.442 1.00 0.30 H new ATOM 301 N ILE A 19 -0.811 18.349 -0.592 1.00 0.22 N ATOM 302 CA ILE A 19 -1.577 17.098 -0.305 1.00 0.22 C ATOM 303 C ILE A 19 -2.401 16.624 -1.498 1.00 0.25 C ATOM 304 O ILE A 19 -3.284 17.303 -1.993 1.00 0.30 O ATOM 305 CB ILE A 19 -2.539 17.420 0.847 1.00 0.23 C ATOM 306 CG1 ILE A 19 -2.671 18.932 1.102 1.00 0.27 C ATOM 307 CG2 ILE A 19 -2.037 16.737 2.102 1.00 0.22 C ATOM 308 CD1 ILE A 19 -3.975 19.215 1.853 1.00 0.34 C ATOM 0 H ILE A 19 -0.781 19.011 0.184 1.00 0.22 H new ATOM 0 HA ILE A 19 -0.871 16.304 -0.064 1.00 0.22 H new ATOM 0 HB ILE A 19 -3.528 17.055 0.570 1.00 0.23 H new ATOM 0 HG12 ILE A 19 -1.820 19.289 1.683 1.00 0.27 H new ATOM 0 HG13 ILE A 19 -2.660 19.473 0.156 1.00 0.27 H new ATOM 0 HG21 ILE A 19 -2.711 16.957 2.930 1.00 0.22 H new ATOM 0 HG22 ILE A 19 -2.000 15.660 1.940 1.00 0.22 H new ATOM 0 HG23 ILE A 19 -1.038 17.102 2.340 1.00 0.22 H new ATOM 0 HD11 ILE A 19 -4.066 20.286 2.033 1.00 0.34 H new ATOM 0 HD12 ILE A 19 -4.820 18.874 1.256 1.00 0.34 H new ATOM 0 HD13 ILE A 19 -3.968 18.687 2.806 1.00 0.34 H new ATOM 320 N GLU A 20 -2.125 15.427 -1.911 1.00 0.25 N ATOM 321 CA GLU A 20 -2.875 14.794 -3.032 1.00 0.29 C ATOM 322 C GLU A 20 -4.130 14.142 -2.439 1.00 0.30 C ATOM 323 O GLU A 20 -4.705 14.648 -1.491 1.00 0.29 O ATOM 324 CB GLU A 20 -1.896 13.729 -3.571 1.00 0.30 C ATOM 325 CG GLU A 20 -1.644 12.625 -2.509 1.00 0.28 C ATOM 326 CD GLU A 20 -0.286 12.847 -1.843 1.00 0.26 C ATOM 327 OE1 GLU A 20 -0.144 13.843 -1.145 1.00 0.25 O ATOM 328 OE2 GLU A 20 0.592 12.017 -2.027 1.00 0.30 O ATOM 0 H GLU A 20 -1.392 14.841 -1.511 1.00 0.25 H new ATOM 0 HA GLU A 20 -3.192 15.480 -3.817 1.00 0.29 H new ATOM 0 HB2 GLU A 20 -2.302 13.281 -4.478 1.00 0.30 H new ATOM 0 HB3 GLU A 20 -0.952 14.201 -3.843 1.00 0.30 H new ATOM 0 HG2 GLU A 20 -2.434 12.642 -1.759 1.00 0.28 H new ATOM 0 HG3 GLU A 20 -1.672 11.642 -2.979 1.00 0.28 H new ATOM 335 N MET A 21 -4.511 12.987 -2.919 1.00 0.33 N ATOM 336 CA MET A 21 -5.657 12.269 -2.290 1.00 0.35 C ATOM 337 C MET A 21 -5.148 11.843 -0.895 1.00 0.31 C ATOM 338 O MET A 21 -4.135 12.358 -0.455 1.00 0.28 O ATOM 339 CB MET A 21 -5.920 11.064 -3.207 1.00 0.40 C ATOM 340 CG MET A 21 -7.386 11.064 -3.651 1.00 0.46 C ATOM 341 SD MET A 21 -7.884 9.374 -4.068 1.00 0.67 S ATOM 342 CE MET A 21 -9.324 9.800 -5.075 1.00 1.32 C ATOM 0 H MET A 21 -4.081 12.513 -3.714 1.00 0.33 H new ATOM 0 HA MET A 21 -6.577 12.843 -2.176 1.00 0.35 H new ATOM 0 HB2 MET A 21 -5.266 11.108 -4.078 1.00 0.40 H new ATOM 0 HB3 MET A 21 -5.689 10.137 -2.681 1.00 0.40 H new ATOM 0 HG2 MET A 21 -8.019 11.456 -2.855 1.00 0.46 H new ATOM 0 HG3 MET A 21 -7.517 11.717 -4.514 1.00 0.46 H new ATOM 0 HE1 MET A 21 -9.794 8.888 -5.443 1.00 1.32 H new ATOM 0 HE2 MET A 21 -10.039 10.358 -4.470 1.00 1.32 H new ATOM 0 HE3 MET A 21 -9.009 10.412 -5.920 1.00 1.32 H new ATOM 352 N PRO A 22 -5.792 10.928 -0.222 1.00 0.34 N ATOM 353 CA PRO A 22 -5.251 10.522 1.099 1.00 0.33 C ATOM 354 C PRO A 22 -3.834 9.948 0.892 1.00 0.31 C ATOM 355 O PRO A 22 -3.669 8.785 0.570 1.00 0.34 O ATOM 356 CB PRO A 22 -6.265 9.484 1.593 1.00 0.38 C ATOM 357 CG PRO A 22 -6.929 8.990 0.348 1.00 0.41 C ATOM 358 CD PRO A 22 -7.006 10.180 -0.572 1.00 0.39 C ATOM 0 HA PRO A 22 -5.140 11.326 1.827 1.00 0.33 H new ATOM 0 HB2 PRO A 22 -5.773 8.673 2.130 1.00 0.38 H new ATOM 0 HB3 PRO A 22 -6.987 9.928 2.278 1.00 0.38 H new ATOM 0 HG2 PRO A 22 -6.357 8.180 -0.106 1.00 0.41 H new ATOM 0 HG3 PRO A 22 -7.922 8.597 0.564 1.00 0.41 H new ATOM 0 HD2 PRO A 22 -7.012 9.883 -1.621 1.00 0.39 H new ATOM 0 HD3 PRO A 22 -7.908 10.767 -0.402 1.00 0.39 H new ATOM 366 N GLN A 23 -2.815 10.796 1.011 1.00 0.28 N ATOM 367 CA GLN A 23 -1.383 10.378 0.773 1.00 0.28 C ATOM 368 C GLN A 23 -0.937 9.208 1.670 1.00 0.29 C ATOM 369 O GLN A 23 0.052 9.281 2.376 1.00 0.29 O ATOM 370 CB GLN A 23 -0.556 11.641 1.047 1.00 0.26 C ATOM 371 CG GLN A 23 -0.661 12.060 2.521 1.00 0.26 C ATOM 372 CD GLN A 23 0.206 13.300 2.755 1.00 0.25 C ATOM 373 OE1 GLN A 23 0.062 14.340 1.987 1.00 0.30 O flip ATOM 374 NE2 GLN A 23 1.032 13.319 3.642 1.00 0.28 N flip ATOM 0 H GLN A 23 -2.925 11.777 1.268 1.00 0.28 H new ATOM 0 HA GLN A 23 -1.251 10.002 -0.242 1.00 0.28 H new ATOM 0 HB2 GLN A 23 0.488 11.459 0.791 1.00 0.26 H new ATOM 0 HB3 GLN A 23 -0.904 12.453 0.409 1.00 0.26 H new ATOM 0 HG2 GLN A 23 -1.699 12.273 2.778 1.00 0.26 H new ATOM 0 HG3 GLN A 23 -0.334 11.246 3.167 1.00 0.26 H new ATOM 0 HE21 GLN A 23 1.149 12.506 4.247 1.00 0.28 H new ATOM 0 HE22 GLN A 23 1.610 14.148 3.783 1.00 0.28 H new ATOM 383 N GLN A 24 -1.655 8.128 1.619 1.00 0.31 N ATOM 384 CA GLN A 24 -1.316 6.932 2.426 1.00 0.33 C ATOM 385 C GLN A 24 -0.670 5.862 1.532 1.00 0.35 C ATOM 386 O GLN A 24 -0.851 4.677 1.738 1.00 0.37 O ATOM 387 CB GLN A 24 -2.669 6.474 2.987 1.00 0.33 C ATOM 388 CG GLN A 24 -3.520 5.802 1.893 1.00 0.36 C ATOM 389 CD GLN A 24 -4.663 5.009 2.538 1.00 0.39 C ATOM 390 OE1 GLN A 24 -5.030 5.252 3.669 1.00 0.46 O ATOM 391 NE2 GLN A 24 -5.250 4.066 1.863 1.00 0.43 N ATOM 0 H GLN A 24 -2.485 8.022 1.036 1.00 0.31 H new ATOM 0 HA GLN A 24 -0.596 7.128 3.220 1.00 0.33 H new ATOM 0 HB2 GLN A 24 -2.509 5.776 3.809 1.00 0.33 H new ATOM 0 HB3 GLN A 24 -3.206 7.330 3.396 1.00 0.33 H new ATOM 0 HG2 GLN A 24 -3.924 6.557 1.219 1.00 0.36 H new ATOM 0 HG3 GLN A 24 -2.898 5.138 1.292 1.00 0.36 H new ATOM 0 HE21 GLN A 24 -4.948 3.856 0.912 1.00 0.43 H new ATOM 0 HE22 GLN A 24 -6.013 3.536 2.284 1.00 0.43 H new ATOM 400 N ALA A 25 0.082 6.277 0.537 1.00 0.36 N ATOM 401 CA ALA A 25 0.747 5.299 -0.383 1.00 0.40 C ATOM 402 C ALA A 25 1.477 4.219 0.418 1.00 0.41 C ATOM 403 O ALA A 25 1.534 3.074 0.019 1.00 0.45 O ATOM 404 CB ALA A 25 1.738 6.132 -1.200 1.00 0.42 C ATOM 0 H ALA A 25 0.264 7.258 0.323 1.00 0.36 H new ATOM 0 HA ALA A 25 0.029 4.781 -1.020 1.00 0.40 H new ATOM 0 HB1 ALA A 25 2.267 5.485 -1.900 1.00 0.42 H new ATOM 0 HB2 ALA A 25 1.198 6.900 -1.753 1.00 0.42 H new ATOM 0 HB3 ALA A 25 2.456 6.604 -0.529 1.00 0.42 H new ATOM 410 N ARG A 26 2.011 4.575 1.554 1.00 0.40 N ATOM 411 CA ARG A 26 2.721 3.568 2.400 1.00 0.43 C ATOM 412 C ARG A 26 1.697 2.592 2.994 1.00 0.41 C ATOM 413 O ARG A 26 1.939 1.404 3.093 1.00 0.44 O ATOM 414 CB ARG A 26 3.407 4.379 3.505 1.00 0.45 C ATOM 415 CG ARG A 26 4.675 5.035 2.947 1.00 0.48 C ATOM 416 CD ARG A 26 5.872 4.104 3.159 1.00 0.52 C ATOM 417 NE ARG A 26 6.969 4.995 3.640 1.00 0.59 N ATOM 418 CZ ARG A 26 8.132 4.969 3.065 1.00 0.64 C ATOM 419 NH1 ARG A 26 8.368 5.740 2.051 1.00 0.72 N ATOM 420 NH2 ARG A 26 9.052 4.173 3.509 1.00 0.69 N ATOM 0 H ARG A 26 1.987 5.521 1.935 1.00 0.40 H new ATOM 0 HA ARG A 26 3.444 2.978 1.836 1.00 0.43 H new ATOM 0 HB2 ARG A 26 2.728 5.142 3.886 1.00 0.45 H new ATOM 0 HB3 ARG A 26 3.660 3.730 4.343 1.00 0.45 H new ATOM 0 HG2 ARG A 26 4.550 5.247 1.885 1.00 0.48 H new ATOM 0 HG3 ARG A 26 4.851 5.989 3.443 1.00 0.48 H new ATOM 0 HD2 ARG A 26 5.644 3.327 3.889 1.00 0.52 H new ATOM 0 HD3 ARG A 26 6.149 3.600 2.233 1.00 0.52 H new ATOM 0 HE ARG A 26 6.804 5.627 4.424 1.00 0.59 H new ATOM 0 HH11 ARG A 26 7.640 6.366 1.706 1.00 0.72 H new ATOM 0 HH12 ARG A 26 9.282 5.721 1.598 1.00 0.72 H new ATOM 0 HH21 ARG A 26 8.861 3.569 4.308 1.00 0.69 H new ATOM 0 HH22 ARG A 26 9.967 4.150 3.059 1.00 0.69 H new ATOM 434 N GLN A 27 0.538 3.089 3.349 1.00 0.38 N ATOM 435 CA GLN A 27 -0.533 2.206 3.901 1.00 0.38 C ATOM 436 C GLN A 27 -1.278 1.546 2.738 1.00 0.37 C ATOM 437 O GLN A 27 -1.628 0.384 2.798 1.00 0.39 O ATOM 438 CB GLN A 27 -1.471 3.133 4.685 1.00 0.38 C ATOM 439 CG GLN A 27 -0.682 3.885 5.764 1.00 0.39 C ATOM 440 CD GLN A 27 -0.386 5.306 5.282 1.00 0.37 C ATOM 441 OE1 GLN A 27 0.481 5.514 4.460 1.00 0.40 O ATOM 442 NE2 GLN A 27 -1.076 6.299 5.755 1.00 0.39 N ATOM 0 H GLN A 27 0.287 4.075 3.279 1.00 0.38 H new ATOM 0 HA GLN A 27 -0.139 1.416 4.540 1.00 0.38 H new ATOM 0 HB2 GLN A 27 -1.944 3.843 4.007 1.00 0.38 H new ATOM 0 HB3 GLN A 27 -2.270 2.551 5.145 1.00 0.38 H new ATOM 0 HG2 GLN A 27 -1.253 3.916 6.692 1.00 0.39 H new ATOM 0 HG3 GLN A 27 0.249 3.361 5.980 1.00 0.39 H new ATOM 0 HE21 GLN A 27 -1.806 6.129 6.447 1.00 0.39 H new ATOM 0 HE22 GLN A 27 -0.888 7.249 5.435 1.00 0.39 H new ATOM 451 N ASN A 28 -1.502 2.277 1.670 1.00 0.37 N ATOM 452 CA ASN A 28 -2.204 1.687 0.489 1.00 0.38 C ATOM 453 C ASN A 28 -1.393 0.510 -0.062 1.00 0.41 C ATOM 454 O ASN A 28 -1.943 -0.488 -0.490 1.00 0.43 O ATOM 455 CB ASN A 28 -2.285 2.821 -0.541 1.00 0.39 C ATOM 456 CG ASN A 28 -3.688 2.870 -1.143 1.00 0.44 C ATOM 457 OD1 ASN A 28 -4.617 3.324 -0.510 1.00 0.54 O ATOM 458 ND2 ASN A 28 -3.887 2.416 -2.344 1.00 0.59 N ATOM 0 H ASN A 28 -1.229 3.254 1.567 1.00 0.37 H new ATOM 0 HA ASN A 28 -3.193 1.305 0.741 1.00 0.38 H new ATOM 0 HB2 ASN A 28 -2.049 3.774 -0.067 1.00 0.39 H new ATOM 0 HB3 ASN A 28 -1.547 2.665 -1.327 1.00 0.39 H new ATOM 0 HD21 ASN A 28 -4.822 2.442 -2.751 1.00 0.59 H new ATOM 0 HD22 ASN A 28 -3.108 2.033 -2.880 1.00 0.59 H new ATOM 465 N LEU A 29 -0.088 0.602 -0.007 1.00 0.42 N ATOM 466 CA LEU A 29 0.767 -0.523 -0.477 1.00 0.46 C ATOM 467 C LEU A 29 0.677 -1.645 0.561 1.00 0.45 C ATOM 468 O LEU A 29 0.505 -2.804 0.230 1.00 0.47 O ATOM 469 CB LEU A 29 2.188 0.076 -0.596 1.00 0.48 C ATOM 470 CG LEU A 29 3.201 -0.692 0.261 1.00 0.50 C ATOM 471 CD1 LEU A 29 3.549 -2.021 -0.409 1.00 0.56 C ATOM 472 CD2 LEU A 29 4.475 0.140 0.404 1.00 0.55 C ATOM 0 H LEU A 29 0.421 1.413 0.345 1.00 0.42 H new ATOM 0 HA LEU A 29 0.469 -0.951 -1.434 1.00 0.46 H new ATOM 0 HB2 LEU A 29 2.505 0.057 -1.639 1.00 0.48 H new ATOM 0 HB3 LEU A 29 2.169 1.121 -0.288 1.00 0.48 H new ATOM 0 HG LEU A 29 2.766 -0.883 1.242 1.00 0.50 H new ATOM 0 HD11 LEU A 29 4.269 -2.561 0.206 1.00 0.56 H new ATOM 0 HD12 LEU A 29 2.645 -2.620 -0.520 1.00 0.56 H new ATOM 0 HD13 LEU A 29 3.981 -1.831 -1.391 1.00 0.56 H new ATOM 0 HD21 LEU A 29 5.198 -0.403 1.013 1.00 0.55 H new ATOM 0 HD22 LEU A 29 4.900 0.328 -0.582 1.00 0.55 H new ATOM 0 HD23 LEU A 29 4.237 1.090 0.883 1.00 0.55 H new ATOM 484 N GLN A 30 0.768 -1.289 1.820 1.00 0.43 N ATOM 485 CA GLN A 30 0.669 -2.311 2.899 1.00 0.44 C ATOM 486 C GLN A 30 -0.725 -2.942 2.888 1.00 0.42 C ATOM 487 O GLN A 30 -0.872 -4.149 2.909 1.00 0.43 O ATOM 488 CB GLN A 30 0.918 -1.552 4.207 1.00 0.45 C ATOM 489 CG GLN A 30 2.424 -1.479 4.479 1.00 0.51 C ATOM 490 CD GLN A 30 2.669 -0.905 5.875 1.00 0.57 C ATOM 491 OE1 GLN A 30 2.949 0.263 6.021 1.00 0.70 O ATOM 492 NE2 GLN A 30 2.580 -1.681 6.914 1.00 0.74 N ATOM 0 H GLN A 30 0.907 -0.332 2.143 1.00 0.43 H new ATOM 0 HA GLN A 30 1.387 -3.121 2.771 1.00 0.44 H new ATOM 0 HB2 GLN A 30 0.501 -0.547 4.141 1.00 0.45 H new ATOM 0 HB3 GLN A 30 0.413 -2.054 5.032 1.00 0.45 H new ATOM 0 HG2 GLN A 30 2.866 -2.472 4.401 1.00 0.51 H new ATOM 0 HG3 GLN A 30 2.909 -0.855 3.728 1.00 0.51 H new ATOM 0 HE21 GLN A 30 2.344 -2.666 6.796 1.00 0.74 H new ATOM 0 HE22 GLN A 30 2.746 -1.305 7.847 1.00 0.74 H new ATOM 501 N ASN A 31 -1.743 -2.127 2.829 1.00 0.41 N ATOM 502 CA ASN A 31 -3.140 -2.653 2.793 1.00 0.41 C ATOM 503 C ASN A 31 -3.291 -3.634 1.625 1.00 0.42 C ATOM 504 O ASN A 31 -3.779 -4.735 1.787 1.00 0.43 O ATOM 505 CB ASN A 31 -4.021 -1.412 2.598 1.00 0.42 C ATOM 506 CG ASN A 31 -5.468 -1.833 2.350 1.00 0.46 C ATOM 507 OD1 ASN A 31 -6.213 -2.065 3.276 1.00 0.50 O ATOM 508 ND2 ASN A 31 -5.898 -1.946 1.129 1.00 0.52 N ATOM 0 H ASN A 31 -1.667 -1.110 2.804 1.00 0.41 H new ATOM 0 HA ASN A 31 -3.415 -3.197 3.697 1.00 0.41 H new ATOM 0 HB2 ASN A 31 -3.965 -0.774 3.480 1.00 0.42 H new ATOM 0 HB3 ASN A 31 -3.655 -0.825 1.756 1.00 0.42 H new ATOM 0 HD21 ASN A 31 -6.862 -2.230 0.952 1.00 0.52 H new ATOM 0 HD22 ASN A 31 -5.272 -1.751 0.348 1.00 0.52 H new ATOM 515 N LEU A 32 -2.844 -3.243 0.463 1.00 0.42 N ATOM 516 CA LEU A 32 -2.918 -4.134 -0.725 1.00 0.44 C ATOM 517 C LEU A 32 -2.076 -5.380 -0.471 1.00 0.45 C ATOM 518 O LEU A 32 -2.507 -6.482 -0.713 1.00 0.46 O ATOM 519 CB LEU A 32 -2.348 -3.306 -1.882 1.00 0.47 C ATOM 520 CG LEU A 32 -2.263 -4.169 -3.144 1.00 0.55 C ATOM 521 CD1 LEU A 32 -2.939 -3.445 -4.305 1.00 0.80 C ATOM 522 CD2 LEU A 32 -0.795 -4.416 -3.491 1.00 0.77 C ATOM 0 H LEU A 32 -2.425 -2.330 0.286 1.00 0.42 H new ATOM 0 HA LEU A 32 -3.932 -4.470 -0.944 1.00 0.44 H new ATOM 0 HB2 LEU A 32 -2.980 -2.438 -2.066 1.00 0.47 H new ATOM 0 HB3 LEU A 32 -1.359 -2.930 -1.620 1.00 0.47 H new ATOM 0 HG LEU A 32 -2.764 -5.120 -2.966 1.00 0.55 H new ATOM 0 HD11 LEU A 32 -2.878 -4.060 -5.203 1.00 0.80 H new ATOM 0 HD12 LEU A 32 -3.986 -3.263 -4.060 1.00 0.80 H new ATOM 0 HD13 LEU A 32 -2.437 -2.494 -4.482 1.00 0.80 H new ATOM 0 HD21 LEU A 32 -0.732 -5.030 -4.389 1.00 0.77 H new ATOM 0 HD22 LEU A 32 -0.297 -3.462 -3.668 1.00 0.77 H new ATOM 0 HD23 LEU A 32 -0.307 -4.932 -2.664 1.00 0.77 H new ATOM 534 N PHE A 33 -0.889 -5.208 0.043 1.00 0.45 N ATOM 535 CA PHE A 33 -0.022 -6.390 0.338 1.00 0.46 C ATOM 536 C PHE A 33 -0.743 -7.327 1.317 1.00 0.44 C ATOM 537 O PHE A 33 -0.796 -8.524 1.113 1.00 0.45 O ATOM 538 CB PHE A 33 1.249 -5.814 0.969 1.00 0.49 C ATOM 539 CG PHE A 33 2.387 -5.904 -0.019 1.00 0.56 C ATOM 540 CD1 PHE A 33 2.446 -5.018 -1.102 1.00 0.63 C ATOM 541 CD2 PHE A 33 3.384 -6.873 0.147 1.00 0.70 C ATOM 542 CE1 PHE A 33 3.502 -5.102 -2.018 1.00 0.74 C ATOM 543 CE2 PHE A 33 4.439 -6.956 -0.769 1.00 0.81 C ATOM 544 CZ PHE A 33 4.498 -6.071 -1.852 1.00 0.80 C ATOM 0 H PHE A 33 -0.480 -4.302 0.272 1.00 0.45 H new ATOM 0 HA PHE A 33 0.208 -6.972 -0.554 1.00 0.46 H new ATOM 0 HB2 PHE A 33 1.086 -4.776 1.258 1.00 0.49 H new ATOM 0 HB3 PHE A 33 1.498 -6.363 1.877 1.00 0.49 H new ATOM 0 HD1 PHE A 33 1.677 -4.270 -1.231 1.00 0.63 H new ATOM 0 HD2 PHE A 33 3.339 -7.556 0.982 1.00 0.70 H new ATOM 0 HE1 PHE A 33 3.548 -4.419 -2.853 1.00 0.74 H new ATOM 0 HE2 PHE A 33 5.208 -7.703 -0.640 1.00 0.81 H new ATOM 0 HZ PHE A 33 5.312 -6.136 -2.559 1.00 0.80 H new ATOM 554 N ILE A 34 -1.317 -6.787 2.366 1.00 0.42 N ATOM 555 CA ILE A 34 -2.054 -7.647 3.346 1.00 0.42 C ATOM 556 C ILE A 34 -3.386 -8.127 2.743 1.00 0.41 C ATOM 557 O ILE A 34 -3.759 -9.278 2.888 1.00 0.41 O ATOM 558 CB ILE A 34 -2.297 -6.747 4.564 1.00 0.45 C ATOM 559 CG1 ILE A 34 -0.999 -6.619 5.368 1.00 0.51 C ATOM 560 CG2 ILE A 34 -3.381 -7.357 5.458 1.00 0.51 C ATOM 561 CD1 ILE A 34 -0.722 -5.144 5.661 1.00 0.63 C ATOM 0 H ILE A 34 -1.307 -5.791 2.585 1.00 0.42 H new ATOM 0 HA ILE A 34 -1.493 -8.543 3.612 1.00 0.42 H new ATOM 0 HB ILE A 34 -2.622 -5.764 4.221 1.00 0.45 H new ATOM 0 HG12 ILE A 34 -1.080 -7.177 6.301 1.00 0.51 H new ATOM 0 HG13 ILE A 34 -0.169 -7.052 4.809 1.00 0.51 H new ATOM 0 HG21 ILE A 34 -3.547 -6.711 6.320 1.00 0.51 H new ATOM 0 HG22 ILE A 34 -4.308 -7.453 4.892 1.00 0.51 H new ATOM 0 HG23 ILE A 34 -3.060 -8.342 5.798 1.00 0.51 H new ATOM 0 HD11 ILE A 34 0.201 -5.054 6.233 1.00 0.63 H new ATOM 0 HD12 ILE A 34 -0.622 -4.599 4.722 1.00 0.63 H new ATOM 0 HD13 ILE A 34 -1.548 -4.726 6.237 1.00 0.63 H new ATOM 573 N ASN A 35 -4.096 -7.264 2.052 1.00 0.40 N ATOM 574 CA ASN A 35 -5.386 -7.677 1.435 1.00 0.41 C ATOM 575 C ASN A 35 -5.103 -8.643 0.300 1.00 0.40 C ATOM 576 O ASN A 35 -5.737 -9.673 0.174 1.00 0.41 O ATOM 577 CB ASN A 35 -6.033 -6.392 0.908 1.00 0.44 C ATOM 578 CG ASN A 35 -6.829 -5.722 2.029 1.00 0.46 C ATOM 579 OD1 ASN A 35 -8.019 -5.908 2.137 1.00 0.52 O ATOM 580 ND2 ASN A 35 -6.219 -4.946 2.872 1.00 0.48 N ATOM 0 H ASN A 35 -3.832 -6.292 1.892 1.00 0.40 H new ATOM 0 HA ASN A 35 -6.046 -8.178 2.143 1.00 0.41 H new ATOM 0 HB2 ASN A 35 -5.266 -5.712 0.536 1.00 0.44 H new ATOM 0 HB3 ASN A 35 -6.690 -6.621 0.069 1.00 0.44 H new ATOM 0 HD21 ASN A 35 -6.743 -4.496 3.622 1.00 0.48 H new ATOM 0 HD22 ASN A 35 -5.215 -4.787 2.784 1.00 0.48 H new ATOM 587 N PHE A 36 -4.139 -8.324 -0.517 1.00 0.41 N ATOM 588 CA PHE A 36 -3.799 -9.235 -1.644 1.00 0.43 C ATOM 589 C PHE A 36 -3.386 -10.605 -1.096 1.00 0.41 C ATOM 590 O PHE A 36 -3.859 -11.634 -1.542 1.00 0.42 O ATOM 591 CB PHE A 36 -2.639 -8.563 -2.389 1.00 0.46 C ATOM 592 CG PHE A 36 -2.157 -9.454 -3.508 1.00 0.53 C ATOM 593 CD1 PHE A 36 -2.923 -9.601 -4.671 1.00 0.64 C ATOM 594 CD2 PHE A 36 -0.942 -10.138 -3.381 1.00 0.59 C ATOM 595 CE1 PHE A 36 -2.473 -10.427 -5.705 1.00 0.75 C ATOM 596 CE2 PHE A 36 -0.492 -10.965 -4.416 1.00 0.71 C ATOM 597 CZ PHE A 36 -1.258 -11.110 -5.579 1.00 0.76 C ATOM 0 H PHE A 36 -3.575 -7.477 -0.454 1.00 0.41 H new ATOM 0 HA PHE A 36 -4.645 -9.401 -2.311 1.00 0.43 H new ATOM 0 HB2 PHE A 36 -2.962 -7.603 -2.791 1.00 0.46 H new ATOM 0 HB3 PHE A 36 -1.821 -8.360 -1.697 1.00 0.46 H new ATOM 0 HD1 PHE A 36 -3.862 -9.076 -4.769 1.00 0.64 H new ATOM 0 HD2 PHE A 36 -0.352 -10.027 -2.483 1.00 0.59 H new ATOM 0 HE1 PHE A 36 -3.064 -10.538 -6.602 1.00 0.75 H new ATOM 0 HE2 PHE A 36 0.446 -11.491 -4.318 1.00 0.71 H new ATOM 0 HZ PHE A 36 -0.912 -11.748 -6.378 1.00 0.76 H new ATOM 607 N ALA A 37 -2.522 -10.615 -0.117 1.00 0.40 N ATOM 608 CA ALA A 37 -2.073 -11.903 0.489 1.00 0.41 C ATOM 609 C ALA A 37 -3.261 -12.641 1.123 1.00 0.37 C ATOM 610 O ALA A 37 -3.466 -13.817 0.881 1.00 0.38 O ATOM 611 CB ALA A 37 -1.049 -11.505 1.556 1.00 0.44 C ATOM 0 H ALA A 37 -2.104 -9.779 0.293 1.00 0.40 H new ATOM 0 HA ALA A 37 -1.646 -12.579 -0.252 1.00 0.41 H new ATOM 0 HB1 ALA A 37 -0.670 -12.400 2.049 1.00 0.44 H new ATOM 0 HB2 ALA A 37 -0.222 -10.972 1.086 1.00 0.44 H new ATOM 0 HB3 ALA A 37 -1.525 -10.858 2.293 1.00 0.44 H new ATOM 617 N LEU A 38 -4.050 -11.963 1.928 1.00 0.36 N ATOM 618 CA LEU A 38 -5.222 -12.643 2.566 1.00 0.36 C ATOM 619 C LEU A 38 -6.219 -13.094 1.488 1.00 0.34 C ATOM 620 O LEU A 38 -6.774 -14.173 1.569 1.00 0.34 O ATOM 621 CB LEU A 38 -5.819 -11.613 3.554 1.00 0.40 C ATOM 622 CG LEU A 38 -7.083 -10.943 2.990 1.00 0.43 C ATOM 623 CD1 LEU A 38 -8.305 -11.821 3.270 1.00 0.49 C ATOM 624 CD2 LEU A 38 -7.282 -9.588 3.670 1.00 0.50 C ATOM 0 H LEU A 38 -3.933 -10.978 2.168 1.00 0.36 H new ATOM 0 HA LEU A 38 -4.945 -13.550 3.103 1.00 0.36 H new ATOM 0 HB2 LEU A 38 -6.060 -12.109 4.494 1.00 0.40 H new ATOM 0 HB3 LEU A 38 -5.073 -10.850 3.778 1.00 0.40 H new ATOM 0 HG LEU A 38 -6.968 -10.810 1.914 1.00 0.43 H new ATOM 0 HD11 LEU A 38 -9.197 -11.341 2.868 1.00 0.49 H new ATOM 0 HD12 LEU A 38 -8.171 -12.793 2.796 1.00 0.49 H new ATOM 0 HD13 LEU A 38 -8.418 -11.955 4.346 1.00 0.49 H new ATOM 0 HD21 LEU A 38 -8.177 -9.110 3.273 1.00 0.50 H new ATOM 0 HD22 LEU A 38 -7.394 -9.733 4.744 1.00 0.50 H new ATOM 0 HD23 LEU A 38 -6.416 -8.954 3.478 1.00 0.50 H new ATOM 636 N ILE A 39 -6.427 -12.306 0.462 1.00 0.34 N ATOM 637 CA ILE A 39 -7.360 -12.741 -0.618 1.00 0.36 C ATOM 638 C ILE A 39 -6.732 -13.934 -1.350 1.00 0.34 C ATOM 639 O ILE A 39 -7.384 -14.927 -1.609 1.00 0.35 O ATOM 640 CB ILE A 39 -7.507 -11.528 -1.546 1.00 0.40 C ATOM 641 CG1 ILE A 39 -8.377 -10.461 -0.864 1.00 0.44 C ATOM 642 CG2 ILE A 39 -8.163 -11.953 -2.865 1.00 0.46 C ATOM 643 CD1 ILE A 39 -9.810 -10.974 -0.697 1.00 0.49 C ATOM 0 H ILE A 39 -5.996 -11.391 0.328 1.00 0.34 H new ATOM 0 HA ILE A 39 -8.335 -13.057 -0.246 1.00 0.36 H new ATOM 0 HB ILE A 39 -6.519 -11.117 -1.753 1.00 0.40 H new ATOM 0 HG12 ILE A 39 -7.958 -10.208 0.110 1.00 0.44 H new ATOM 0 HG13 ILE A 39 -8.377 -9.547 -1.458 1.00 0.44 H new ATOM 0 HG21 ILE A 39 -8.263 -11.086 -3.517 1.00 0.46 H new ATOM 0 HG22 ILE A 39 -7.544 -12.705 -3.354 1.00 0.46 H new ATOM 0 HG23 ILE A 39 -9.149 -12.371 -2.663 1.00 0.46 H new ATOM 0 HD11 ILE A 39 -10.416 -10.209 -0.213 1.00 0.49 H new ATOM 0 HD12 ILE A 39 -10.230 -11.204 -1.676 1.00 0.49 H new ATOM 0 HD13 ILE A 39 -9.805 -11.875 -0.083 1.00 0.49 H new ATOM 655 N LEU A 40 -5.459 -13.849 -1.656 1.00 0.35 N ATOM 656 CA LEU A 40 -4.769 -14.980 -2.342 1.00 0.37 C ATOM 657 C LEU A 40 -4.824 -16.239 -1.468 1.00 0.33 C ATOM 658 O LEU A 40 -5.184 -17.306 -1.933 1.00 0.34 O ATOM 659 CB LEU A 40 -3.320 -14.517 -2.523 1.00 0.44 C ATOM 660 CG LEU A 40 -2.721 -15.193 -3.755 1.00 0.70 C ATOM 661 CD1 LEU A 40 -2.725 -14.213 -4.926 1.00 1.02 C ATOM 662 CD2 LEU A 40 -1.283 -15.618 -3.458 1.00 1.16 C ATOM 0 H LEU A 40 -4.869 -13.041 -1.458 1.00 0.35 H new ATOM 0 HA LEU A 40 -5.237 -15.230 -3.294 1.00 0.37 H new ATOM 0 HB2 LEU A 40 -3.284 -13.433 -2.636 1.00 0.44 H new ATOM 0 HB3 LEU A 40 -2.734 -14.765 -1.638 1.00 0.44 H new ATOM 0 HG LEU A 40 -3.315 -16.071 -4.010 1.00 0.70 H new ATOM 0 HD11 LEU A 40 -2.298 -14.695 -5.805 1.00 1.02 H new ATOM 0 HD12 LEU A 40 -3.749 -13.908 -5.141 1.00 1.02 H new ATOM 0 HD13 LEU A 40 -2.131 -13.336 -4.668 1.00 1.02 H new ATOM 0 HD21 LEU A 40 -0.857 -16.100 -4.338 1.00 1.16 H new ATOM 0 HD22 LEU A 40 -0.690 -14.740 -3.202 1.00 1.16 H new ATOM 0 HD23 LEU A 40 -1.276 -16.317 -2.622 1.00 1.16 H new ATOM 674 N ILE A 41 -4.483 -16.129 -0.201 1.00 0.31 N ATOM 675 CA ILE A 41 -4.529 -17.334 0.685 1.00 0.31 C ATOM 676 C ILE A 41 -5.984 -17.802 0.866 1.00 0.27 C ATOM 677 O ILE A 41 -6.259 -18.986 0.874 1.00 0.28 O ATOM 678 CB ILE A 41 -3.878 -16.903 2.013 1.00 0.36 C ATOM 679 CG1 ILE A 41 -3.328 -18.139 2.729 1.00 0.44 C ATOM 680 CG2 ILE A 41 -4.894 -16.210 2.923 1.00 0.39 C ATOM 681 CD1 ILE A 41 -1.823 -17.972 2.955 1.00 1.09 C ATOM 0 H ILE A 41 -4.179 -15.266 0.250 1.00 0.31 H new ATOM 0 HA ILE A 41 -3.993 -18.184 0.263 1.00 0.31 H new ATOM 0 HB ILE A 41 -3.074 -16.202 1.791 1.00 0.36 H new ATOM 0 HG12 ILE A 41 -3.837 -18.276 3.683 1.00 0.44 H new ATOM 0 HG13 ILE A 41 -3.520 -19.032 2.134 1.00 0.44 H new ATOM 0 HG21 ILE A 41 -4.408 -15.916 3.853 1.00 0.39 H new ATOM 0 HG22 ILE A 41 -5.286 -15.324 2.423 1.00 0.39 H new ATOM 0 HG23 ILE A 41 -5.713 -16.895 3.142 1.00 0.39 H new ATOM 0 HD11 ILE A 41 -1.432 -18.852 3.465 1.00 1.09 H new ATOM 0 HD12 ILE A 41 -1.321 -17.856 1.994 1.00 1.09 H new ATOM 0 HD13 ILE A 41 -1.643 -17.088 3.567 1.00 1.09 H new ATOM 693 N PHE A 42 -6.921 -16.887 0.977 1.00 0.26 N ATOM 694 CA PHE A 42 -8.356 -17.289 1.121 1.00 0.27 C ATOM 695 C PHE A 42 -8.828 -17.989 -0.166 1.00 0.26 C ATOM 696 O PHE A 42 -9.611 -18.922 -0.130 1.00 0.28 O ATOM 697 CB PHE A 42 -9.116 -15.972 1.336 1.00 0.32 C ATOM 698 CG PHE A 42 -10.577 -16.255 1.592 1.00 0.78 C ATOM 699 CD1 PHE A 42 -10.974 -16.863 2.789 1.00 1.38 C ATOM 700 CD2 PHE A 42 -11.535 -15.907 0.633 1.00 1.31 C ATOM 701 CE1 PHE A 42 -12.328 -17.125 3.024 1.00 2.03 C ATOM 702 CE2 PHE A 42 -12.888 -16.169 0.869 1.00 1.94 C ATOM 703 CZ PHE A 42 -13.286 -16.778 2.064 1.00 2.21 C ATOM 0 H PHE A 42 -6.752 -15.881 0.974 1.00 0.26 H new ATOM 0 HA PHE A 42 -8.519 -17.986 1.943 1.00 0.27 H new ATOM 0 HB2 PHE A 42 -8.689 -15.430 2.179 1.00 0.32 H new ATOM 0 HB3 PHE A 42 -9.009 -15.333 0.459 1.00 0.32 H new ATOM 0 HD1 PHE A 42 -10.235 -17.130 3.531 1.00 1.38 H new ATOM 0 HD2 PHE A 42 -11.229 -15.436 -0.290 1.00 1.31 H new ATOM 0 HE1 PHE A 42 -12.634 -17.595 3.947 1.00 2.03 H new ATOM 0 HE2 PHE A 42 -13.627 -15.901 0.128 1.00 1.94 H new ATOM 0 HZ PHE A 42 -14.331 -16.980 2.246 1.00 2.21 H new ATOM 713 N LEU A 43 -8.328 -17.557 -1.298 1.00 0.26 N ATOM 714 CA LEU A 43 -8.706 -18.190 -2.592 1.00 0.29 C ATOM 715 C LEU A 43 -7.958 -19.518 -2.716 1.00 0.28 C ATOM 716 O LEU A 43 -8.540 -20.545 -3.010 1.00 0.32 O ATOM 717 CB LEU A 43 -8.313 -17.159 -3.676 1.00 0.34 C ATOM 718 CG LEU A 43 -7.272 -17.718 -4.657 1.00 0.43 C ATOM 719 CD1 LEU A 43 -7.945 -18.681 -5.635 1.00 0.52 C ATOM 720 CD2 LEU A 43 -6.652 -16.561 -5.443 1.00 0.50 C ATOM 0 H LEU A 43 -7.667 -16.784 -1.377 1.00 0.26 H new ATOM 0 HA LEU A 43 -9.766 -18.427 -2.684 1.00 0.29 H new ATOM 0 HB2 LEU A 43 -9.203 -16.856 -4.227 1.00 0.34 H new ATOM 0 HB3 LEU A 43 -7.915 -16.264 -3.197 1.00 0.34 H new ATOM 0 HG LEU A 43 -6.500 -18.249 -4.100 1.00 0.43 H new ATOM 0 HD11 LEU A 43 -7.201 -19.074 -6.328 1.00 0.52 H new ATOM 0 HD12 LEU A 43 -8.397 -19.505 -5.082 1.00 0.52 H new ATOM 0 HD13 LEU A 43 -8.717 -18.152 -6.193 1.00 0.52 H new ATOM 0 HD21 LEU A 43 -5.912 -16.951 -6.142 1.00 0.50 H new ATOM 0 HD22 LEU A 43 -7.432 -16.037 -5.996 1.00 0.50 H new ATOM 0 HD23 LEU A 43 -6.170 -15.869 -4.752 1.00 0.50 H new ATOM 732 N LEU A 44 -6.676 -19.512 -2.445 1.00 0.27 N ATOM 733 CA LEU A 44 -5.907 -20.782 -2.496 1.00 0.31 C ATOM 734 C LEU A 44 -6.507 -21.751 -1.471 1.00 0.28 C ATOM 735 O LEU A 44 -6.548 -22.947 -1.685 1.00 0.32 O ATOM 736 CB LEU A 44 -4.465 -20.407 -2.124 1.00 0.35 C ATOM 737 CG LEU A 44 -3.747 -19.851 -3.355 1.00 0.48 C ATOM 738 CD1 LEU A 44 -2.500 -19.082 -2.919 1.00 0.58 C ATOM 739 CD2 LEU A 44 -3.329 -21.005 -4.267 1.00 0.64 C ATOM 0 H LEU A 44 -6.136 -18.684 -2.192 1.00 0.27 H new ATOM 0 HA LEU A 44 -5.938 -21.265 -3.473 1.00 0.31 H new ATOM 0 HB2 LEU A 44 -4.466 -19.666 -1.325 1.00 0.35 H new ATOM 0 HB3 LEU A 44 -3.937 -21.282 -1.746 1.00 0.35 H new ATOM 0 HG LEU A 44 -4.421 -19.183 -3.891 1.00 0.48 H new ATOM 0 HD11 LEU A 44 -1.990 -18.687 -3.798 1.00 0.58 H new ATOM 0 HD12 LEU A 44 -2.790 -18.258 -2.267 1.00 0.58 H new ATOM 0 HD13 LEU A 44 -1.829 -19.752 -2.381 1.00 0.58 H new ATOM 0 HD21 LEU A 44 -2.817 -20.609 -5.144 1.00 0.64 H new ATOM 0 HD22 LEU A 44 -2.658 -21.672 -3.726 1.00 0.64 H new ATOM 0 HD23 LEU A 44 -4.214 -21.558 -4.582 1.00 0.64 H new ATOM 751 N LEU A 45 -6.995 -21.231 -0.364 1.00 0.24 N ATOM 752 CA LEU A 45 -7.610 -22.120 0.666 1.00 0.25 C ATOM 753 C LEU A 45 -8.971 -22.628 0.188 1.00 0.26 C ATOM 754 O LEU A 45 -9.245 -23.814 0.222 1.00 0.29 O ATOM 755 CB LEU A 45 -7.759 -21.250 1.918 1.00 0.27 C ATOM 756 CG LEU A 45 -8.246 -22.108 3.088 1.00 0.38 C ATOM 757 CD1 LEU A 45 -7.370 -21.844 4.311 1.00 0.63 C ATOM 758 CD2 LEU A 45 -9.695 -21.747 3.417 1.00 0.60 C ATOM 0 H LEU A 45 -6.992 -20.237 -0.136 1.00 0.24 H new ATOM 0 HA LEU A 45 -7.000 -23.002 0.862 1.00 0.25 H new ATOM 0 HB2 LEU A 45 -6.804 -20.787 2.167 1.00 0.27 H new ATOM 0 HB3 LEU A 45 -8.465 -20.442 1.729 1.00 0.27 H new ATOM 0 HG LEU A 45 -8.185 -23.161 2.815 1.00 0.38 H new ATOM 0 HD11 LEU A 45 -7.716 -22.455 5.145 1.00 0.63 H new ATOM 0 HD12 LEU A 45 -6.336 -22.098 4.079 1.00 0.63 H new ATOM 0 HD13 LEU A 45 -7.432 -20.790 4.583 1.00 0.63 H new ATOM 0 HD21 LEU A 45 -10.042 -22.358 4.250 1.00 0.60 H new ATOM 0 HD22 LEU A 45 -9.754 -20.693 3.690 1.00 0.60 H new ATOM 0 HD23 LEU A 45 -10.323 -21.932 2.545 1.00 0.60 H new ATOM 770 N ILE A 46 -9.812 -21.747 -0.285 1.00 0.25 N ATOM 771 CA ILE A 46 -11.146 -22.195 -0.794 1.00 0.30 C ATOM 772 C ILE A 46 -10.934 -23.123 -2.000 1.00 0.33 C ATOM 773 O ILE A 46 -11.619 -24.114 -2.157 1.00 0.39 O ATOM 774 CB ILE A 46 -11.915 -20.912 -1.167 1.00 0.35 C ATOM 775 CG1 ILE A 46 -13.417 -21.169 -1.029 1.00 0.44 C ATOM 776 CG2 ILE A 46 -11.616 -20.487 -2.609 1.00 0.42 C ATOM 777 CD1 ILE A 46 -14.123 -19.877 -0.616 1.00 0.77 C ATOM 0 H ILE A 46 -9.637 -20.744 -0.342 1.00 0.25 H new ATOM 0 HA ILE A 46 -11.715 -22.761 -0.057 1.00 0.30 H new ATOM 0 HB ILE A 46 -11.597 -20.114 -0.495 1.00 0.35 H new ATOM 0 HG12 ILE A 46 -13.823 -21.531 -1.974 1.00 0.44 H new ATOM 0 HG13 ILE A 46 -13.596 -21.947 -0.287 1.00 0.44 H new ATOM 0 HG21 ILE A 46 -12.172 -19.579 -2.844 1.00 0.42 H new ATOM 0 HG22 ILE A 46 -10.548 -20.297 -2.718 1.00 0.42 H new ATOM 0 HG23 ILE A 46 -11.915 -21.282 -3.292 1.00 0.42 H new ATOM 0 HD11 ILE A 46 -15.193 -20.062 -0.518 1.00 0.77 H new ATOM 0 HD12 ILE A 46 -13.725 -19.534 0.339 1.00 0.77 H new ATOM 0 HD13 ILE A 46 -13.955 -19.112 -1.374 1.00 0.77 H new ATOM 789 N ALA A 47 -9.960 -22.823 -2.831 1.00 0.34 N ATOM 790 CA ALA A 47 -9.672 -23.697 -4.003 1.00 0.40 C ATOM 791 C ALA A 47 -9.232 -25.086 -3.516 1.00 0.39 C ATOM 792 O ALA A 47 -9.687 -26.096 -4.014 1.00 0.46 O ATOM 793 CB ALA A 47 -8.537 -22.997 -4.756 1.00 0.45 C ATOM 0 H ALA A 47 -9.354 -22.007 -2.743 1.00 0.34 H new ATOM 0 HA ALA A 47 -10.543 -23.843 -4.642 1.00 0.40 H new ATOM 0 HB1 ALA A 47 -8.268 -23.583 -5.635 1.00 0.45 H new ATOM 0 HB2 ALA A 47 -8.864 -22.005 -5.067 1.00 0.45 H new ATOM 0 HB3 ALA A 47 -7.670 -22.905 -4.103 1.00 0.45 H new ATOM 799 N ILE A 48 -8.361 -25.141 -2.531 1.00 0.35 N ATOM 800 CA ILE A 48 -7.906 -26.466 -2.002 1.00 0.39 C ATOM 801 C ILE A 48 -9.101 -27.230 -1.412 1.00 0.39 C ATOM 802 O ILE A 48 -9.272 -28.411 -1.653 1.00 0.45 O ATOM 803 CB ILE A 48 -6.876 -26.137 -0.910 1.00 0.41 C ATOM 804 CG1 ILE A 48 -5.539 -25.770 -1.561 1.00 0.47 C ATOM 805 CG2 ILE A 48 -6.671 -27.355 -0.004 1.00 0.49 C ATOM 806 CD1 ILE A 48 -4.647 -25.067 -0.534 1.00 0.52 C ATOM 0 H ILE A 48 -7.949 -24.328 -2.074 1.00 0.35 H new ATOM 0 HA ILE A 48 -7.475 -27.097 -2.779 1.00 0.39 H new ATOM 0 HB ILE A 48 -7.242 -25.299 -0.317 1.00 0.41 H new ATOM 0 HG12 ILE A 48 -5.045 -26.668 -1.933 1.00 0.47 H new ATOM 0 HG13 ILE A 48 -5.707 -25.119 -2.419 1.00 0.47 H new ATOM 0 HG21 ILE A 48 -5.940 -27.115 0.768 1.00 0.49 H new ATOM 0 HG22 ILE A 48 -7.618 -27.624 0.464 1.00 0.49 H new ATOM 0 HG23 ILE A 48 -6.309 -28.194 -0.599 1.00 0.49 H new ATOM 0 HD11 ILE A 48 -3.695 -24.806 -0.997 1.00 0.52 H new ATOM 0 HD12 ILE A 48 -5.141 -24.161 -0.183 1.00 0.52 H new ATOM 0 HD13 ILE A 48 -4.469 -25.733 0.310 1.00 0.52 H new ATOM 818 N ILE A 49 -9.929 -26.559 -0.645 1.00 0.37 N ATOM 819 CA ILE A 49 -11.118 -27.238 -0.037 1.00 0.43 C ATOM 820 C ILE A 49 -12.023 -27.822 -1.126 1.00 0.48 C ATOM 821 O ILE A 49 -12.613 -28.867 -0.950 1.00 0.55 O ATOM 822 CB ILE A 49 -11.851 -26.147 0.747 1.00 0.44 C ATOM 823 CG1 ILE A 49 -10.997 -25.699 1.943 1.00 0.45 C ATOM 824 CG2 ILE A 49 -13.195 -26.679 1.255 1.00 0.52 C ATOM 825 CD1 ILE A 49 -10.857 -26.847 2.949 1.00 0.55 C ATOM 0 H ILE A 49 -9.832 -25.570 -0.414 1.00 0.37 H new ATOM 0 HA ILE A 49 -10.825 -28.070 0.604 1.00 0.43 H new ATOM 0 HB ILE A 49 -12.025 -25.298 0.086 1.00 0.44 H new ATOM 0 HG12 ILE A 49 -10.012 -25.384 1.599 1.00 0.45 H new ATOM 0 HG13 ILE A 49 -11.457 -24.836 2.425 1.00 0.45 H new ATOM 0 HG21 ILE A 49 -13.709 -25.896 1.812 1.00 0.52 H new ATOM 0 HG22 ILE A 49 -13.809 -26.985 0.408 1.00 0.52 H new ATOM 0 HG23 ILE A 49 -13.024 -27.535 1.907 1.00 0.52 H new ATOM 0 HD11 ILE A 49 -10.250 -26.519 3.793 1.00 0.55 H new ATOM 0 HD12 ILE A 49 -11.844 -27.141 3.305 1.00 0.55 H new ATOM 0 HD13 ILE A 49 -10.377 -27.698 2.466 1.00 0.55 H new ATOM 837 N VAL A 50 -12.119 -27.168 -2.256 1.00 0.48 N ATOM 838 CA VAL A 50 -12.975 -27.703 -3.363 1.00 0.57 C ATOM 839 C VAL A 50 -12.515 -29.125 -3.715 1.00 0.62 C ATOM 840 O VAL A 50 -13.315 -30.032 -3.845 1.00 0.70 O ATOM 841 CB VAL A 50 -12.767 -26.742 -4.543 1.00 0.60 C ATOM 842 CG1 VAL A 50 -13.305 -27.373 -5.830 1.00 0.71 C ATOM 843 CG2 VAL A 50 -13.520 -25.438 -4.275 1.00 0.61 C ATOM 0 H VAL A 50 -11.644 -26.289 -2.461 1.00 0.48 H new ATOM 0 HA VAL A 50 -14.029 -27.762 -3.092 1.00 0.57 H new ATOM 0 HB VAL A 50 -11.702 -26.540 -4.655 1.00 0.60 H new ATOM 0 HG11 VAL A 50 -13.154 -26.686 -6.663 1.00 0.71 H new ATOM 0 HG12 VAL A 50 -12.775 -28.305 -6.028 1.00 0.71 H new ATOM 0 HG13 VAL A 50 -14.370 -27.578 -5.717 1.00 0.71 H new ATOM 0 HG21 VAL A 50 -13.373 -24.755 -5.112 1.00 0.61 H new ATOM 0 HG22 VAL A 50 -14.583 -25.649 -4.161 1.00 0.61 H new ATOM 0 HG23 VAL A 50 -13.141 -24.980 -3.362 1.00 0.61 H new ATOM 853 N MET A 51 -11.227 -29.324 -3.851 1.00 0.60 N ATOM 854 CA MET A 51 -10.704 -30.682 -4.170 1.00 0.67 C ATOM 855 C MET A 51 -10.592 -31.536 -2.892 1.00 0.67 C ATOM 856 O MET A 51 -10.451 -32.742 -2.962 1.00 0.76 O ATOM 857 CB MET A 51 -9.325 -30.434 -4.781 1.00 0.68 C ATOM 858 CG MET A 51 -9.480 -29.650 -6.085 1.00 0.72 C ATOM 859 SD MET A 51 -7.856 -29.086 -6.645 1.00 0.76 S ATOM 860 CE MET A 51 -7.554 -27.927 -5.290 1.00 0.67 C ATOM 0 H MET A 51 -10.515 -28.600 -3.754 1.00 0.60 H new ATOM 0 HA MET A 51 -11.360 -31.229 -4.847 1.00 0.67 H new ATOM 0 HB2 MET A 51 -8.700 -29.878 -4.082 1.00 0.68 H new ATOM 0 HB3 MET A 51 -8.824 -31.383 -4.972 1.00 0.68 H new ATOM 0 HG2 MET A 51 -9.941 -30.278 -6.847 1.00 0.72 H new ATOM 0 HG3 MET A 51 -10.141 -28.797 -5.933 1.00 0.72 H new ATOM 0 HE1 MET A 51 -7.373 -26.932 -5.696 1.00 0.67 H new ATOM 0 HE2 MET A 51 -8.424 -27.899 -4.634 1.00 0.67 H new ATOM 0 HE3 MET A 51 -6.682 -28.251 -4.722 1.00 0.67 H new ATOM 870 N LEU A 52 -10.653 -30.927 -1.727 1.00 0.62 N ATOM 871 CA LEU A 52 -10.549 -31.720 -0.459 1.00 0.68 C ATOM 872 C LEU A 52 -11.837 -31.596 0.367 1.00 0.72 C ATOM 873 O LEU A 52 -11.801 -31.499 1.580 1.00 0.77 O ATOM 874 CB LEU A 52 -9.363 -31.109 0.290 1.00 0.65 C ATOM 875 CG LEU A 52 -8.126 -31.987 0.091 1.00 0.81 C ATOM 876 CD1 LEU A 52 -7.253 -31.393 -1.012 1.00 1.06 C ATOM 877 CD2 LEU A 52 -7.328 -32.048 1.394 1.00 1.20 C ATOM 0 H LEU A 52 -10.770 -29.921 -1.602 1.00 0.62 H new ATOM 0 HA LEU A 52 -10.409 -32.784 -0.651 1.00 0.68 H new ATOM 0 HB2 LEU A 52 -9.169 -30.101 -0.076 1.00 0.65 H new ATOM 0 HB3 LEU A 52 -9.595 -31.024 1.352 1.00 0.65 H new ATOM 0 HG LEU A 52 -8.437 -32.993 -0.192 1.00 0.81 H new ATOM 0 HD11 LEU A 52 -6.371 -32.018 -1.154 1.00 1.06 H new ATOM 0 HD12 LEU A 52 -7.821 -31.349 -1.941 1.00 1.06 H new ATOM 0 HD13 LEU A 52 -6.943 -30.387 -0.729 1.00 1.06 H new ATOM 0 HD21 LEU A 52 -6.447 -32.674 1.252 1.00 1.20 H new ATOM 0 HD22 LEU A 52 -7.017 -31.042 1.678 1.00 1.20 H new ATOM 0 HD23 LEU A 52 -7.950 -32.471 2.182 1.00 1.20 H new ATOM 889 N LEU A 53 -12.970 -31.599 -0.283 1.00 0.77 N ATOM 890 CA LEU A 53 -14.261 -31.482 0.449 1.00 0.86 C ATOM 891 C LEU A 53 -14.856 -32.872 0.727 1.00 1.06 C ATOM 892 O LEU A 53 -15.226 -33.115 1.865 1.00 1.17 O ATOM 893 CB LEU A 53 -15.172 -30.675 -0.482 1.00 0.86 C ATOM 894 CG LEU A 53 -16.079 -29.768 0.350 1.00 1.02 C ATOM 895 CD1 LEU A 53 -16.166 -28.392 -0.305 1.00 1.05 C ATOM 896 CD2 LEU A 53 -17.477 -30.377 0.422 1.00 1.52 C ATOM 897 OXT LEU A 53 -14.934 -33.668 -0.199 1.00 1.17 O ATOM 0 H LEU A 53 -13.055 -31.678 -1.296 1.00 0.77 H new ATOM 0 HA LEU A 53 -14.140 -31.000 1.419 1.00 0.86 H new ATOM 0 HB2 LEU A 53 -14.571 -30.076 -1.167 1.00 0.86 H new ATOM 0 HB3 LEU A 53 -15.774 -31.348 -1.092 1.00 0.86 H new ATOM 0 HG LEU A 53 -15.667 -29.670 1.354 1.00 1.02 H new ATOM 0 HD11 LEU A 53 -16.813 -27.746 0.289 1.00 1.05 H new ATOM 0 HD12 LEU A 53 -15.170 -27.953 -0.363 1.00 1.05 H new ATOM 0 HD13 LEU A 53 -16.577 -28.492 -1.309 1.00 1.05 H new ATOM 0 HD21 LEU A 53 -18.125 -29.731 1.015 1.00 1.52 H new ATOM 0 HD22 LEU A 53 -17.884 -30.474 -0.585 1.00 1.52 H new ATOM 0 HD23 LEU A 53 -17.422 -31.361 0.887 1.00 1.52 H new TER 909 LEU A 53