USER MOD reduce.3.24.130724 H: found=0, std=0, add=477, rem=0, adj=10 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 24 GLN : amide:sc= 1.01 K(o=1.9,f=-2.1) USER MOD Set 1.2: A 28 ASN : amide:sc= 0.874 K(o=1.9,f=-3.2) USER MOD Set 2.1: A 2 MET CE :methyl 176:sc= -0.065 (180deg=-0.0256) USER MOD Set 2.2: A 6 GLN : amide:sc= 0.0152 K(o=-0.05,f=-4!) USER MOD Single : A 1 ALA N :NH3+ -121:sc= 0.0854 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -172:sc= 0.863 (180deg=0.592) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 103:sc= 0.886 USER MOD Single : A 11 SER OG : rot 118:sc= 0.883 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= -2.29 USER MOD Single : A 21 MET CE :methyl -168:sc= 0 (180deg=-0.131) USER MOD Single : A 23 GLN : amide:sc= 0.657 K(o=0.66,f=-7!) USER MOD Single : A 27 GLN : amide:sc= -3.55! C(o=-3.6!,f=-13!) USER MOD Single : A 30 GLN : amide:sc=-0.000885 K(o=-0.00089,f=-2.3!) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 ASN : amide:sc= -0.43 K(o=-0.43,f=-2.5!) USER MOD Single : A 51 MET CE :methyl -113:sc= -2.83 (180deg=-6.02!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 21.756 24.629 -8.253 1.00 0.86 N ATOM 2 CA ALA A 1 20.892 25.430 -7.328 1.00 0.68 C ATOM 3 C ALA A 1 20.243 24.513 -6.281 1.00 0.60 C ATOM 4 O ALA A 1 20.304 23.302 -6.386 1.00 0.59 O ATOM 5 CB ALA A 1 19.824 26.060 -8.229 1.00 0.78 C ATOM 0 H1 ALA A 1 22.733 24.982 -8.209 1.00 0.86 H new ATOM 0 H2 ALA A 1 21.736 23.629 -7.968 1.00 0.86 H new ATOM 0 H3 ALA A 1 21.399 24.719 -9.226 1.00 0.86 H new ATOM 0 HA ALA A 1 21.459 26.183 -6.781 1.00 0.68 H new ATOM 0 HB1 ALA A 1 19.149 26.665 -7.624 1.00 0.78 H new ATOM 0 HB2 ALA A 1 20.305 26.690 -8.977 1.00 0.78 H new ATOM 0 HB3 ALA A 1 19.258 25.273 -8.727 1.00 0.78 H new ATOM 13 N MET A 2 19.619 25.081 -5.274 1.00 0.59 N ATOM 14 CA MET A 2 18.962 24.239 -4.222 1.00 0.55 C ATOM 15 C MET A 2 17.673 23.603 -4.777 1.00 0.48 C ATOM 16 O MET A 2 16.575 23.936 -4.373 1.00 0.50 O ATOM 17 CB MET A 2 18.647 25.206 -3.073 1.00 0.62 C ATOM 18 CG MET A 2 19.868 25.336 -2.157 1.00 0.71 C ATOM 19 SD MET A 2 19.320 25.483 -0.438 1.00 0.77 S ATOM 20 CE MET A 2 18.717 27.187 -0.533 1.00 0.92 C ATOM 0 H MET A 2 19.537 26.088 -5.136 1.00 0.59 H new ATOM 0 HA MET A 2 19.598 23.418 -3.892 1.00 0.55 H new ATOM 0 HB2 MET A 2 18.374 26.183 -3.472 1.00 0.62 H new ATOM 0 HB3 MET A 2 17.791 24.843 -2.504 1.00 0.62 H new ATOM 0 HG2 MET A 2 20.515 24.466 -2.270 1.00 0.71 H new ATOM 0 HG3 MET A 2 20.456 26.210 -2.439 1.00 0.71 H new ATOM 0 HE1 MET A 2 18.262 27.465 0.418 1.00 0.92 H new ATOM 0 HE2 MET A 2 19.550 27.856 -0.746 1.00 0.92 H new ATOM 0 HE3 MET A 2 17.975 27.267 -1.328 1.00 0.92 H new ATOM 30 N GLU A 3 17.809 22.694 -5.710 1.00 0.45 N ATOM 31 CA GLU A 3 16.607 22.038 -6.310 1.00 0.42 C ATOM 32 C GLU A 3 16.210 20.780 -5.513 1.00 0.39 C ATOM 33 O GLU A 3 15.247 20.796 -4.770 1.00 0.38 O ATOM 34 CB GLU A 3 17.034 21.686 -7.741 1.00 0.45 C ATOM 35 CG GLU A 3 15.871 21.022 -8.493 1.00 0.48 C ATOM 36 CD GLU A 3 15.971 19.496 -8.391 1.00 0.47 C ATOM 37 OE1 GLU A 3 17.075 18.980 -8.424 1.00 0.52 O ATOM 38 OE2 GLU A 3 14.933 18.864 -8.276 1.00 0.51 O ATOM 0 H GLU A 3 18.704 22.377 -6.083 1.00 0.45 H new ATOM 0 HA GLU A 3 15.729 22.684 -6.295 1.00 0.42 H new ATOM 0 HB2 GLU A 3 17.349 22.588 -8.267 1.00 0.45 H new ATOM 0 HB3 GLU A 3 17.892 21.014 -7.717 1.00 0.45 H new ATOM 0 HG2 GLU A 3 14.921 21.359 -8.078 1.00 0.48 H new ATOM 0 HG3 GLU A 3 15.886 21.325 -9.540 1.00 0.48 H new ATOM 45 N LYS A 4 16.935 19.695 -5.663 1.00 0.40 N ATOM 46 CA LYS A 4 16.587 18.436 -4.923 1.00 0.41 C ATOM 47 C LYS A 4 16.485 18.693 -3.418 1.00 0.40 C ATOM 48 O LYS A 4 15.590 18.199 -2.756 1.00 0.40 O ATOM 49 CB LYS A 4 17.720 17.454 -5.239 1.00 0.47 C ATOM 50 CG LYS A 4 17.135 16.062 -5.503 1.00 0.52 C ATOM 51 CD LYS A 4 16.522 16.019 -6.908 1.00 0.54 C ATOM 52 CE LYS A 4 14.996 15.930 -6.806 1.00 0.52 C ATOM 53 NZ LYS A 4 14.491 16.464 -8.105 1.00 0.54 N ATOM 0 H LYS A 4 17.754 19.626 -6.267 1.00 0.40 H new ATOM 0 HA LYS A 4 15.617 18.044 -5.228 1.00 0.41 H new ATOM 0 HB2 LYS A 4 18.279 17.796 -6.110 1.00 0.47 H new ATOM 0 HB3 LYS A 4 18.422 17.413 -4.406 1.00 0.47 H new ATOM 0 HG2 LYS A 4 17.915 15.306 -5.412 1.00 0.52 H new ATOM 0 HG3 LYS A 4 16.376 15.828 -4.757 1.00 0.52 H new ATOM 0 HD2 LYS A 4 16.807 16.911 -7.466 1.00 0.54 H new ATOM 0 HD3 LYS A 4 16.910 15.161 -7.458 1.00 0.54 H new ATOM 0 HE2 LYS A 4 14.670 14.902 -6.648 1.00 0.52 H new ATOM 0 HE3 LYS A 4 14.622 16.515 -5.966 1.00 0.52 H new ATOM 0 HZ1 LYS A 4 13.457 16.563 -8.061 1.00 0.54 H new ATOM 0 HZ2 LYS A 4 14.920 17.393 -8.289 1.00 0.54 H new ATOM 0 HZ3 LYS A 4 14.744 15.808 -8.872 1.00 0.54 H new ATOM 67 N VAL A 5 17.385 19.470 -2.881 1.00 0.43 N ATOM 68 CA VAL A 5 17.343 19.781 -1.415 1.00 0.46 C ATOM 69 C VAL A 5 15.985 20.388 -1.045 1.00 0.42 C ATOM 70 O VAL A 5 15.343 19.975 -0.096 1.00 0.43 O ATOM 71 CB VAL A 5 18.485 20.779 -1.155 1.00 0.52 C ATOM 72 CG1 VAL A 5 18.358 21.999 -2.074 1.00 0.51 C ATOM 73 CG2 VAL A 5 18.423 21.245 0.299 1.00 0.58 C ATOM 0 H VAL A 5 18.152 19.907 -3.392 1.00 0.43 H new ATOM 0 HA VAL A 5 17.467 18.885 -0.807 1.00 0.46 H new ATOM 0 HB VAL A 5 19.435 20.283 -1.356 1.00 0.52 H new ATOM 0 HG11 VAL A 5 19.175 22.692 -1.874 1.00 0.51 H new ATOM 0 HG12 VAL A 5 18.402 21.677 -3.114 1.00 0.51 H new ATOM 0 HG13 VAL A 5 17.406 22.497 -1.888 1.00 0.51 H new ATOM 0 HG21 VAL A 5 19.230 21.953 0.489 1.00 0.58 H new ATOM 0 HG22 VAL A 5 17.464 21.729 0.485 1.00 0.58 H new ATOM 0 HG23 VAL A 5 18.530 20.386 0.961 1.00 0.58 H new ATOM 83 N GLN A 6 15.534 21.341 -1.807 1.00 0.40 N ATOM 84 CA GLN A 6 14.207 21.959 -1.532 1.00 0.39 C ATOM 85 C GLN A 6 13.106 21.007 -2.003 1.00 0.35 C ATOM 86 O GLN A 6 12.059 20.896 -1.393 1.00 0.35 O ATOM 87 CB GLN A 6 14.190 23.267 -2.334 1.00 0.42 C ATOM 88 CG GLN A 6 13.971 24.450 -1.383 1.00 0.49 C ATOM 89 CD GLN A 6 15.318 24.961 -0.865 1.00 0.55 C ATOM 90 OE1 GLN A 6 15.757 26.026 -1.238 1.00 0.64 O ATOM 91 NE2 GLN A 6 15.993 24.247 -0.010 1.00 0.58 N ATOM 0 H GLN A 6 16.029 21.722 -2.613 1.00 0.40 H new ATOM 0 HA GLN A 6 14.040 22.152 -0.472 1.00 0.39 H new ATOM 0 HB2 GLN A 6 15.131 23.388 -2.871 1.00 0.42 H new ATOM 0 HB3 GLN A 6 13.397 23.237 -3.082 1.00 0.42 H new ATOM 0 HG2 GLN A 6 13.444 25.251 -1.901 1.00 0.49 H new ATOM 0 HG3 GLN A 6 13.343 24.144 -0.547 1.00 0.49 H new ATOM 0 HE21 GLN A 6 15.626 23.349 0.307 1.00 0.58 H new ATOM 0 HE22 GLN A 6 16.888 24.586 0.343 1.00 0.58 H new ATOM 100 N TYR A 7 13.366 20.301 -3.074 1.00 0.33 N ATOM 101 CA TYR A 7 12.378 19.315 -3.615 1.00 0.32 C ATOM 102 C TYR A 7 12.020 18.302 -2.526 1.00 0.32 C ATOM 103 O TYR A 7 10.862 18.084 -2.220 1.00 0.32 O ATOM 104 CB TYR A 7 13.114 18.624 -4.769 1.00 0.35 C ATOM 105 CG TYR A 7 12.122 17.993 -5.718 1.00 0.40 C ATOM 106 CD1 TYR A 7 11.464 16.807 -5.363 1.00 0.50 C ATOM 107 CD2 TYR A 7 11.864 18.591 -6.957 1.00 0.47 C ATOM 108 CE1 TYR A 7 10.551 16.222 -6.249 1.00 0.61 C ATOM 109 CE2 TYR A 7 10.952 18.005 -7.841 1.00 0.57 C ATOM 110 CZ TYR A 7 10.295 16.822 -7.487 1.00 0.62 C ATOM 111 OH TYR A 7 9.399 16.244 -8.361 1.00 0.75 O ATOM 0 H TYR A 7 14.234 20.366 -3.605 1.00 0.33 H new ATOM 0 HA TYR A 7 11.449 19.781 -3.944 1.00 0.32 H new ATOM 0 HB2 TYR A 7 13.729 19.348 -5.303 1.00 0.35 H new ATOM 0 HB3 TYR A 7 13.787 17.862 -4.376 1.00 0.35 H new ATOM 0 HD1 TYR A 7 11.661 16.345 -4.407 1.00 0.50 H new ATOM 0 HD2 TYR A 7 12.369 19.505 -7.231 1.00 0.47 H new ATOM 0 HE1 TYR A 7 10.044 15.308 -5.977 1.00 0.61 H new ATOM 0 HE2 TYR A 7 10.755 18.466 -8.797 1.00 0.57 H new ATOM 0 HH TYR A 7 9.337 16.788 -9.174 1.00 0.75 H new ATOM 121 N LEU A 8 13.015 17.696 -1.929 1.00 0.34 N ATOM 122 CA LEU A 8 12.755 16.708 -0.839 1.00 0.36 C ATOM 123 C LEU A 8 12.163 17.435 0.368 1.00 0.34 C ATOM 124 O LEU A 8 11.190 17.001 0.957 1.00 0.35 O ATOM 125 CB LEU A 8 14.129 16.133 -0.494 1.00 0.41 C ATOM 126 CG LEU A 8 14.651 15.305 -1.666 1.00 0.44 C ATOM 127 CD1 LEU A 8 16.179 15.322 -1.655 1.00 0.51 C ATOM 128 CD2 LEU A 8 14.154 13.868 -1.528 1.00 0.54 C ATOM 0 H LEU A 8 14.000 17.844 -2.151 1.00 0.34 H new ATOM 0 HA LEU A 8 12.052 15.928 -1.132 1.00 0.36 H new ATOM 0 HB2 LEU A 8 14.825 16.941 -0.268 1.00 0.41 H new ATOM 0 HB3 LEU A 8 14.060 15.513 0.400 1.00 0.41 H new ATOM 0 HG LEU A 8 14.290 15.726 -2.605 1.00 0.44 H new ATOM 0 HD11 LEU A 8 16.555 14.732 -2.490 1.00 0.51 H new ATOM 0 HD12 LEU A 8 16.532 16.349 -1.748 1.00 0.51 H new ATOM 0 HD13 LEU A 8 16.541 14.897 -0.719 1.00 0.51 H new ATOM 0 HD21 LEU A 8 14.524 13.273 -2.363 1.00 0.54 H new ATOM 0 HD22 LEU A 8 14.518 13.445 -0.592 1.00 0.54 H new ATOM 0 HD23 LEU A 8 13.064 13.858 -1.531 1.00 0.54 H new ATOM 140 N THR A 9 12.747 18.552 0.727 1.00 0.35 N ATOM 141 CA THR A 9 12.232 19.344 1.892 1.00 0.38 C ATOM 142 C THR A 9 10.746 19.670 1.691 1.00 0.33 C ATOM 143 O THR A 9 9.920 19.365 2.530 1.00 0.34 O ATOM 144 CB THR A 9 13.072 20.628 1.922 1.00 0.43 C ATOM 145 OG1 THR A 9 14.441 20.291 2.101 1.00 0.48 O ATOM 146 CG2 THR A 9 12.622 21.515 3.082 1.00 0.50 C ATOM 0 H THR A 9 13.562 18.953 0.262 1.00 0.35 H new ATOM 0 HA THR A 9 12.314 18.794 2.829 1.00 0.38 H new ATOM 0 HB THR A 9 12.940 21.164 0.982 1.00 0.43 H new ATOM 0 HG1 THR A 9 14.911 20.367 1.245 1.00 0.48 H new ATOM 0 HG21 THR A 9 13.222 22.425 3.098 1.00 0.50 H new ATOM 0 HG22 THR A 9 11.571 21.775 2.955 1.00 0.50 H new ATOM 0 HG23 THR A 9 12.751 20.978 4.022 1.00 0.50 H new ATOM 154 N ARG A 10 10.394 20.267 0.578 1.00 0.32 N ATOM 155 CA ARG A 10 8.953 20.587 0.323 1.00 0.31 C ATOM 156 C ARG A 10 8.128 19.298 0.299 1.00 0.26 C ATOM 157 O ARG A 10 7.001 19.259 0.736 1.00 0.27 O ATOM 158 CB ARG A 10 8.926 21.269 -1.043 1.00 0.32 C ATOM 159 CG ARG A 10 8.774 22.781 -0.851 1.00 0.63 C ATOM 160 CD ARG A 10 8.311 23.427 -2.157 1.00 0.64 C ATOM 161 NE ARG A 10 8.312 24.890 -1.868 1.00 0.71 N ATOM 162 CZ ARG A 10 7.189 25.533 -1.742 1.00 1.07 C ATOM 163 NH1 ARG A 10 6.539 25.489 -0.619 1.00 1.45 N ATOM 164 NH2 ARG A 10 6.719 26.211 -2.743 1.00 1.18 N ATOM 0 H ARG A 10 11.038 20.546 -0.162 1.00 0.32 H new ATOM 0 HA ARG A 10 8.528 21.225 1.098 1.00 0.31 H new ATOM 0 HB2 ARG A 10 9.843 21.051 -1.589 1.00 0.32 H new ATOM 0 HB3 ARG A 10 8.100 20.882 -1.639 1.00 0.32 H new ATOM 0 HG2 ARG A 10 8.054 22.985 -0.059 1.00 0.63 H new ATOM 0 HG3 ARG A 10 9.724 23.214 -0.538 1.00 0.63 H new ATOM 0 HD2 ARG A 10 8.983 23.184 -2.980 1.00 0.64 H new ATOM 0 HD3 ARG A 10 7.318 23.079 -2.442 1.00 0.64 H new ATOM 0 HE ARG A 10 9.197 25.388 -1.769 1.00 0.71 H new ATOM 0 HH11 ARG A 10 6.909 24.950 0.164 1.00 1.45 H new ATOM 0 HH12 ARG A 10 5.658 25.993 -0.520 1.00 1.45 H new ATOM 0 HH21 ARG A 10 7.230 26.238 -3.625 1.00 1.18 H new ATOM 0 HH22 ARG A 10 5.838 26.717 -2.648 1.00 1.18 H new ATOM 178 N SER A 11 8.705 18.242 -0.191 1.00 0.24 N ATOM 179 CA SER A 11 7.996 16.924 -0.238 1.00 0.24 C ATOM 180 C SER A 11 7.861 16.357 1.181 1.00 0.25 C ATOM 181 O SER A 11 6.864 15.755 1.538 1.00 0.26 O ATOM 182 CB SER A 11 8.901 16.029 -1.077 1.00 0.27 C ATOM 183 OG SER A 11 9.017 16.569 -2.390 1.00 0.28 O ATOM 0 H SER A 11 9.652 18.229 -0.568 1.00 0.24 H new ATOM 0 HA SER A 11 6.992 17.002 -0.654 1.00 0.24 H new ATOM 0 HB2 SER A 11 9.885 15.954 -0.615 1.00 0.27 H new ATOM 0 HB3 SER A 11 8.492 15.020 -1.122 1.00 0.27 H new ATOM 0 HG SER A 11 9.953 16.801 -2.567 1.00 0.28 H new ATOM 189 N ALA A 12 8.866 16.571 1.991 1.00 0.29 N ATOM 190 CA ALA A 12 8.843 16.087 3.398 1.00 0.33 C ATOM 191 C ALA A 12 7.830 16.902 4.189 1.00 0.33 C ATOM 192 O ALA A 12 7.181 16.424 5.095 1.00 0.36 O ATOM 193 CB ALA A 12 10.256 16.341 3.913 1.00 0.38 C ATOM 0 H ALA A 12 9.716 17.070 1.728 1.00 0.29 H new ATOM 0 HA ALA A 12 8.561 15.038 3.488 1.00 0.33 H new ATOM 0 HB1 ALA A 12 10.330 16.012 4.950 1.00 0.38 H new ATOM 0 HB2 ALA A 12 10.970 15.786 3.304 1.00 0.38 H new ATOM 0 HB3 ALA A 12 10.479 17.406 3.854 1.00 0.38 H new ATOM 199 N ILE A 13 7.698 18.138 3.841 1.00 0.32 N ATOM 200 CA ILE A 13 6.725 19.009 4.541 1.00 0.34 C ATOM 201 C ILE A 13 5.383 19.008 3.792 1.00 0.30 C ATOM 202 O ILE A 13 4.364 19.360 4.349 1.00 0.33 O ATOM 203 CB ILE A 13 7.350 20.402 4.522 1.00 0.39 C ATOM 204 CG1 ILE A 13 6.730 21.260 5.628 1.00 0.45 C ATOM 205 CG2 ILE A 13 7.077 21.045 3.167 1.00 0.36 C ATOM 206 CD1 ILE A 13 7.649 21.262 6.850 1.00 0.86 C ATOM 0 H ILE A 13 8.226 18.591 3.095 1.00 0.32 H new ATOM 0 HA ILE A 13 6.523 18.671 5.557 1.00 0.34 H new ATOM 0 HB ILE A 13 8.425 20.326 4.689 1.00 0.39 H new ATOM 0 HG12 ILE A 13 6.580 22.279 5.271 1.00 0.45 H new ATOM 0 HG13 ILE A 13 5.749 20.870 5.899 1.00 0.45 H new ATOM 0 HG21 ILE A 13 7.519 22.041 3.141 1.00 0.36 H new ATOM 0 HG22 ILE A 13 7.516 20.433 2.379 1.00 0.36 H new ATOM 0 HG23 ILE A 13 6.001 21.121 3.011 1.00 0.36 H new ATOM 0 HD11 ILE A 13 7.207 21.873 7.637 1.00 0.86 H new ATOM 0 HD12 ILE A 13 7.776 20.242 7.211 1.00 0.86 H new ATOM 0 HD13 ILE A 13 8.620 21.673 6.574 1.00 0.86 H new ATOM 218 N ARG A 14 5.377 18.617 2.531 1.00 0.25 N ATOM 219 CA ARG A 14 4.087 18.604 1.752 1.00 0.23 C ATOM 220 C ARG A 14 3.062 17.827 2.559 1.00 0.23 C ATOM 221 O ARG A 14 1.959 18.265 2.796 1.00 0.25 O ATOM 222 CB ARG A 14 4.419 17.890 0.429 1.00 0.21 C ATOM 223 CG ARG A 14 3.256 16.981 -0.003 1.00 0.21 C ATOM 224 CD ARG A 14 3.336 16.718 -1.510 1.00 0.31 C ATOM 225 NE ARG A 14 2.962 15.280 -1.676 1.00 0.34 N ATOM 226 CZ ARG A 14 1.720 14.910 -1.582 1.00 0.33 C ATOM 227 NH1 ARG A 14 0.927 15.032 -2.598 1.00 0.51 N ATOM 228 NH2 ARG A 14 1.271 14.419 -0.474 1.00 0.31 N ATOM 0 H ARG A 14 6.200 18.310 2.013 1.00 0.25 H new ATOM 0 HA ARG A 14 3.680 19.596 1.558 1.00 0.23 H new ATOM 0 HB2 ARG A 14 4.619 18.628 -0.348 1.00 0.21 H new ATOM 0 HB3 ARG A 14 5.326 17.297 0.547 1.00 0.21 H new ATOM 0 HG2 ARG A 14 3.297 16.038 0.543 1.00 0.21 H new ATOM 0 HG3 ARG A 14 2.304 17.451 0.244 1.00 0.21 H new ATOM 0 HD2 ARG A 14 2.656 17.368 -2.060 1.00 0.31 H new ATOM 0 HD3 ARG A 14 4.339 16.911 -1.891 1.00 0.31 H new ATOM 0 HE ARG A 14 3.685 14.586 -1.864 1.00 0.34 H new ATOM 0 HH11 ARG A 14 1.277 15.419 -3.474 1.00 0.51 H new ATOM 0 HH12 ARG A 14 -0.048 14.741 -2.522 1.00 0.51 H new ATOM 0 HH21 ARG A 14 1.892 14.321 0.329 1.00 0.31 H new ATOM 0 HH22 ARG A 14 0.296 14.129 -0.403 1.00 0.31 H new ATOM 242 N ARG A 15 3.483 16.699 3.017 1.00 0.23 N ATOM 243 CA ARG A 15 2.631 15.812 3.882 1.00 0.24 C ATOM 244 C ARG A 15 1.890 16.643 4.935 1.00 0.28 C ATOM 245 O ARG A 15 0.801 16.306 5.351 1.00 0.30 O ATOM 246 CB ARG A 15 3.588 14.861 4.638 1.00 0.29 C ATOM 247 CG ARG A 15 5.017 14.874 4.061 1.00 0.29 C ATOM 248 CD ARG A 15 5.973 14.096 4.969 1.00 0.35 C ATOM 249 NE ARG A 15 5.859 12.657 4.574 1.00 0.37 N ATOM 250 CZ ARG A 15 4.702 12.123 4.362 1.00 0.35 C ATOM 251 NH1 ARG A 15 4.001 11.683 5.358 1.00 0.35 N ATOM 252 NH2 ARG A 15 4.258 12.032 3.152 1.00 0.38 N ATOM 0 H ARG A 15 4.414 16.327 2.830 1.00 0.23 H new ATOM 0 HA ARG A 15 1.908 15.280 3.264 1.00 0.24 H new ATOM 0 HB2 ARG A 15 3.622 15.147 5.689 1.00 0.29 H new ATOM 0 HB3 ARG A 15 3.193 13.846 4.596 1.00 0.29 H new ATOM 0 HG2 ARG A 15 5.016 14.434 3.064 1.00 0.29 H new ATOM 0 HG3 ARG A 15 5.363 15.902 3.956 1.00 0.29 H new ATOM 0 HD2 ARG A 15 6.997 14.451 4.849 1.00 0.35 H new ATOM 0 HD3 ARG A 15 5.709 14.232 6.018 1.00 0.35 H new ATOM 0 HE ARG A 15 6.703 12.093 4.471 1.00 0.37 H new ATOM 0 HH11 ARG A 15 4.363 11.758 6.309 1.00 0.35 H new ATOM 0 HH12 ARG A 15 3.087 11.261 5.192 1.00 0.35 H new ATOM 0 HH21 ARG A 15 4.820 12.380 2.375 1.00 0.38 H new ATOM 0 HH22 ARG A 15 3.346 11.612 2.974 1.00 0.38 H new ATOM 266 N ALA A 16 2.492 17.709 5.385 1.00 0.31 N ATOM 267 CA ALA A 16 1.844 18.561 6.422 1.00 0.37 C ATOM 268 C ALA A 16 1.488 19.938 5.856 1.00 0.38 C ATOM 269 O ALA A 16 0.724 20.680 6.442 1.00 0.44 O ATOM 270 CB ALA A 16 2.904 18.698 7.507 1.00 0.42 C ATOM 0 H ALA A 16 3.410 18.029 5.077 1.00 0.31 H new ATOM 0 HA ALA A 16 0.913 18.128 6.788 1.00 0.37 H new ATOM 0 HB1 ALA A 16 2.516 19.313 8.319 1.00 0.42 H new ATOM 0 HB2 ALA A 16 3.161 17.711 7.891 1.00 0.42 H new ATOM 0 HB3 ALA A 16 3.794 19.168 7.089 1.00 0.42 H new ATOM 276 N SER A 17 2.065 20.299 4.741 1.00 0.36 N ATOM 277 CA SER A 17 1.785 21.661 4.167 1.00 0.40 C ATOM 278 C SER A 17 0.983 21.596 2.859 1.00 0.38 C ATOM 279 O SER A 17 0.277 22.524 2.517 1.00 0.44 O ATOM 280 CB SER A 17 3.166 22.266 3.917 1.00 0.42 C ATOM 281 OG SER A 17 3.124 23.666 4.178 1.00 0.78 O ATOM 0 H SER A 17 2.712 19.722 4.203 1.00 0.36 H new ATOM 0 HA SER A 17 1.175 22.254 4.848 1.00 0.40 H new ATOM 0 HB2 SER A 17 3.906 21.787 4.558 1.00 0.42 H new ATOM 0 HB3 SER A 17 3.473 22.086 2.887 1.00 0.42 H new ATOM 0 HG SER A 17 4.009 24.055 4.020 1.00 0.78 H new ATOM 287 N THR A 18 1.088 20.523 2.119 1.00 0.32 N ATOM 288 CA THR A 18 0.329 20.425 0.828 1.00 0.33 C ATOM 289 C THR A 18 -0.317 19.037 0.636 1.00 0.30 C ATOM 290 O THR A 18 -0.976 18.795 -0.357 1.00 0.33 O ATOM 291 CB THR A 18 1.350 20.702 -0.283 1.00 0.34 C ATOM 292 OG1 THR A 18 2.291 19.644 -0.342 1.00 0.31 O ATOM 293 CG2 THR A 18 2.085 22.014 -0.005 1.00 0.38 C ATOM 0 H THR A 18 1.663 19.712 2.348 1.00 0.32 H new ATOM 0 HA THR A 18 -0.494 21.140 0.815 1.00 0.33 H new ATOM 0 HB THR A 18 0.823 20.778 -1.234 1.00 0.34 H new ATOM 0 HG1 THR A 18 2.941 19.823 -1.054 1.00 0.31 H new ATOM 0 HG21 THR A 18 2.808 22.202 -0.799 1.00 0.38 H new ATOM 0 HG22 THR A 18 1.366 22.833 0.033 1.00 0.38 H new ATOM 0 HG23 THR A 18 2.606 21.944 0.950 1.00 0.38 H new ATOM 301 N ILE A 19 -0.135 18.133 1.570 1.00 0.26 N ATOM 302 CA ILE A 19 -0.742 16.764 1.460 1.00 0.24 C ATOM 303 C ILE A 19 -2.193 16.841 0.967 1.00 0.27 C ATOM 304 O ILE A 19 -2.966 17.682 1.385 1.00 0.31 O ATOM 305 CB ILE A 19 -0.683 16.193 2.886 1.00 0.23 C ATOM 306 CG1 ILE A 19 -1.282 14.786 2.917 1.00 0.26 C ATOM 307 CG2 ILE A 19 -1.471 17.085 3.844 1.00 0.27 C ATOM 308 CD1 ILE A 19 -1.455 14.340 4.374 1.00 0.32 C ATOM 0 H ILE A 19 0.415 18.286 2.415 1.00 0.26 H new ATOM 0 HA ILE A 19 -0.210 16.140 0.742 1.00 0.24 H new ATOM 0 HB ILE A 19 0.361 16.154 3.196 1.00 0.23 H new ATOM 0 HG12 ILE A 19 -2.244 14.777 2.405 1.00 0.26 H new ATOM 0 HG13 ILE A 19 -0.632 14.090 2.386 1.00 0.26 H new ATOM 0 HG21 ILE A 19 -1.422 16.670 4.851 1.00 0.27 H new ATOM 0 HG22 ILE A 19 -1.043 18.087 3.843 1.00 0.27 H new ATOM 0 HG23 ILE A 19 -2.511 17.135 3.522 1.00 0.27 H new ATOM 0 HD11 ILE A 19 -1.882 13.337 4.399 1.00 0.32 H new ATOM 0 HD12 ILE A 19 -0.485 14.334 4.870 1.00 0.32 H new ATOM 0 HD13 ILE A 19 -2.122 15.031 4.889 1.00 0.32 H new ATOM 320 N GLU A 20 -2.553 15.947 0.093 1.00 0.28 N ATOM 321 CA GLU A 20 -3.950 15.906 -0.440 1.00 0.33 C ATOM 322 C GLU A 20 -4.874 15.416 0.685 1.00 0.34 C ATOM 323 O GLU A 20 -4.737 15.828 1.822 1.00 0.33 O ATOM 324 CB GLU A 20 -3.865 14.886 -1.595 1.00 0.34 C ATOM 325 CG GLU A 20 -3.461 13.489 -1.057 1.00 0.32 C ATOM 326 CD GLU A 20 -2.000 13.193 -1.405 1.00 0.31 C ATOM 327 OE1 GLU A 20 -1.130 13.804 -0.803 1.00 0.34 O ATOM 328 OE2 GLU A 20 -1.771 12.352 -2.260 1.00 0.35 O ATOM 0 H GLU A 20 -1.933 15.230 -0.283 1.00 0.28 H new ATOM 0 HA GLU A 20 -4.340 16.865 -0.782 1.00 0.33 H new ATOM 0 HB2 GLU A 20 -4.827 14.822 -2.103 1.00 0.34 H new ATOM 0 HB3 GLU A 20 -3.137 15.223 -2.333 1.00 0.34 H new ATOM 0 HG2 GLU A 20 -3.600 13.453 0.023 1.00 0.32 H new ATOM 0 HG3 GLU A 20 -4.108 12.724 -1.487 1.00 0.32 H new ATOM 335 N MET A 21 -5.757 14.489 0.418 1.00 0.36 N ATOM 336 CA MET A 21 -6.577 13.931 1.533 1.00 0.37 C ATOM 337 C MET A 21 -5.569 13.173 2.428 1.00 0.34 C ATOM 338 O MET A 21 -4.377 13.362 2.264 1.00 0.31 O ATOM 339 CB MET A 21 -7.599 13.002 0.849 1.00 0.42 C ATOM 340 CG MET A 21 -6.937 11.678 0.443 1.00 0.43 C ATOM 341 SD MET A 21 -8.170 10.604 -0.333 1.00 0.66 S ATOM 342 CE MET A 21 -7.689 9.066 0.489 1.00 0.88 C ATOM 0 H MET A 21 -5.944 14.100 -0.506 1.00 0.36 H new ATOM 0 HA MET A 21 -7.117 14.652 2.147 1.00 0.37 H new ATOM 0 HB2 MET A 21 -8.431 12.807 1.526 1.00 0.42 H new ATOM 0 HB3 MET A 21 -8.013 13.493 -0.032 1.00 0.42 H new ATOM 0 HG2 MET A 21 -6.116 11.866 -0.248 1.00 0.43 H new ATOM 0 HG3 MET A 21 -6.511 11.188 1.318 1.00 0.43 H new ATOM 0 HE1 MET A 21 -8.181 8.224 0.002 1.00 0.88 H new ATOM 0 HE2 MET A 21 -6.608 8.942 0.425 1.00 0.88 H new ATOM 0 HE3 MET A 21 -7.988 9.104 1.536 1.00 0.88 H new ATOM 352 N PRO A 22 -6.004 12.323 3.321 1.00 0.36 N ATOM 353 CA PRO A 22 -5.002 11.591 4.133 1.00 0.35 C ATOM 354 C PRO A 22 -4.099 10.800 3.166 1.00 0.33 C ATOM 355 O PRO A 22 -4.470 9.746 2.697 1.00 0.36 O ATOM 356 CB PRO A 22 -5.863 10.709 5.045 1.00 0.40 C ATOM 357 CG PRO A 22 -7.168 10.595 4.325 1.00 0.43 C ATOM 358 CD PRO A 22 -7.377 11.929 3.657 1.00 0.41 C ATOM 0 HA PRO A 22 -4.329 12.205 4.732 1.00 0.35 H new ATOM 0 HB2 PRO A 22 -5.407 9.731 5.198 1.00 0.40 H new ATOM 0 HB3 PRO A 22 -5.990 11.160 6.029 1.00 0.40 H new ATOM 0 HG2 PRO A 22 -7.143 9.789 3.592 1.00 0.43 H new ATOM 0 HG3 PRO A 22 -7.980 10.371 5.017 1.00 0.43 H new ATOM 0 HD2 PRO A 22 -8.006 11.847 2.771 1.00 0.41 H new ATOM 0 HD3 PRO A 22 -7.856 12.647 4.322 1.00 0.41 H new ATOM 366 N GLN A 23 -2.954 11.377 2.801 1.00 0.29 N ATOM 367 CA GLN A 23 -2.001 10.764 1.794 1.00 0.29 C ATOM 368 C GLN A 23 -1.683 9.263 2.010 1.00 0.30 C ATOM 369 O GLN A 23 -0.531 8.873 2.088 1.00 0.31 O ATOM 370 CB GLN A 23 -0.723 11.608 1.916 1.00 0.28 C ATOM 371 CG GLN A 23 -0.249 11.655 3.379 1.00 0.29 C ATOM 372 CD GLN A 23 1.058 10.879 3.537 1.00 0.34 C ATOM 373 OE1 GLN A 23 2.041 11.181 2.893 1.00 0.38 O ATOM 374 NE2 GLN A 23 1.121 9.896 4.382 1.00 0.40 N ATOM 0 H GLN A 23 -2.637 12.272 3.173 1.00 0.29 H new ATOM 0 HA GLN A 23 -2.458 10.781 0.805 1.00 0.29 H new ATOM 0 HB2 GLN A 23 0.061 11.186 1.287 1.00 0.28 H new ATOM 0 HB3 GLN A 23 -0.912 12.619 1.555 1.00 0.28 H new ATOM 0 HG2 GLN A 23 -0.105 12.690 3.689 1.00 0.29 H new ATOM 0 HG3 GLN A 23 -1.013 11.230 4.030 1.00 0.29 H new ATOM 0 HE21 GLN A 23 0.298 9.638 4.926 1.00 0.40 H new ATOM 0 HE22 GLN A 23 1.994 9.382 4.502 1.00 0.40 H new ATOM 383 N GLN A 24 -2.677 8.421 2.077 1.00 0.33 N ATOM 384 CA GLN A 24 -2.444 6.972 2.253 1.00 0.36 C ATOM 385 C GLN A 24 -2.850 6.208 0.980 1.00 0.37 C ATOM 386 O GLN A 24 -2.942 5.005 0.991 1.00 0.40 O ATOM 387 CB GLN A 24 -3.333 6.601 3.445 1.00 0.39 C ATOM 388 CG GLN A 24 -4.753 6.249 2.973 1.00 0.44 C ATOM 389 CD GLN A 24 -5.689 6.150 4.181 1.00 0.46 C ATOM 390 OE1 GLN A 24 -5.647 6.975 5.069 1.00 0.54 O ATOM 391 NE2 GLN A 24 -6.542 5.170 4.252 1.00 0.46 N ATOM 0 H GLN A 24 -3.659 8.689 2.015 1.00 0.33 H new ATOM 0 HA GLN A 24 -1.398 6.719 2.429 1.00 0.36 H new ATOM 0 HB2 GLN A 24 -2.901 5.754 3.978 1.00 0.39 H new ATOM 0 HB3 GLN A 24 -3.374 7.433 4.148 1.00 0.39 H new ATOM 0 HG2 GLN A 24 -5.116 7.009 2.281 1.00 0.44 H new ATOM 0 HG3 GLN A 24 -4.742 5.304 2.431 1.00 0.44 H new ATOM 0 HE21 GLN A 24 -6.582 4.473 3.508 1.00 0.46 H new ATOM 0 HE22 GLN A 24 -7.171 5.098 5.052 1.00 0.46 H new ATOM 400 N ALA A 25 -3.097 6.895 -0.116 1.00 0.37 N ATOM 401 CA ALA A 25 -3.505 6.189 -1.377 1.00 0.40 C ATOM 402 C ALA A 25 -2.488 5.107 -1.742 1.00 0.40 C ATOM 403 O ALA A 25 -2.841 3.984 -2.050 1.00 0.45 O ATOM 404 CB ALA A 25 -3.553 7.278 -2.454 1.00 0.41 C ATOM 0 H ALA A 25 -3.034 7.910 -0.191 1.00 0.37 H new ATOM 0 HA ALA A 25 -4.466 5.687 -1.269 1.00 0.40 H new ATOM 0 HB1 ALA A 25 -3.845 6.835 -3.406 1.00 0.41 H new ATOM 0 HB2 ALA A 25 -4.280 8.039 -2.170 1.00 0.41 H new ATOM 0 HB3 ALA A 25 -2.569 7.735 -2.553 1.00 0.41 H new ATOM 410 N ARG A 26 -1.228 5.437 -1.687 1.00 0.39 N ATOM 411 CA ARG A 26 -0.170 4.435 -2.008 1.00 0.41 C ATOM 412 C ARG A 26 -0.218 3.297 -0.980 1.00 0.40 C ATOM 413 O ARG A 26 -0.028 2.140 -1.305 1.00 0.43 O ATOM 414 CB ARG A 26 1.151 5.209 -1.910 1.00 0.44 C ATOM 415 CG ARG A 26 1.262 6.204 -3.075 1.00 0.46 C ATOM 416 CD ARG A 26 1.231 7.642 -2.534 1.00 0.44 C ATOM 417 NE ARG A 26 -0.150 8.141 -2.826 1.00 0.41 N ATOM 418 CZ ARG A 26 -0.532 9.308 -2.399 1.00 0.38 C ATOM 419 NH1 ARG A 26 -0.575 9.556 -1.128 1.00 0.37 N ATOM 420 NH2 ARG A 26 -0.874 10.225 -3.246 1.00 0.39 N ATOM 0 H ARG A 26 -0.882 6.362 -1.432 1.00 0.39 H new ATOM 0 HA ARG A 26 -0.295 3.984 -2.993 1.00 0.41 H new ATOM 0 HB2 ARG A 26 1.201 5.741 -0.960 1.00 0.44 H new ATOM 0 HB3 ARG A 26 1.991 4.515 -1.932 1.00 0.44 H new ATOM 0 HG2 ARG A 26 2.187 6.032 -3.625 1.00 0.46 H new ATOM 0 HG3 ARG A 26 0.441 6.051 -3.776 1.00 0.46 H new ATOM 0 HD2 ARG A 26 1.440 7.665 -1.465 1.00 0.44 H new ATOM 0 HD3 ARG A 26 1.985 8.262 -3.020 1.00 0.44 H new ATOM 0 HE ARG A 26 -0.795 7.562 -3.363 1.00 0.41 H new ATOM 0 HH11 ARG A 26 -0.309 8.834 -0.458 1.00 0.37 H new ATOM 0 HH12 ARG A 26 -0.875 10.473 -0.797 1.00 0.37 H new ATOM 0 HH21 ARG A 26 -0.844 10.032 -4.247 1.00 0.39 H new ATOM 0 HH22 ARG A 26 -1.174 11.141 -2.912 1.00 0.39 H new ATOM 434 N GLN A 27 -0.503 3.626 0.259 1.00 0.38 N ATOM 435 CA GLN A 27 -0.595 2.582 1.323 1.00 0.39 C ATOM 436 C GLN A 27 -1.946 1.868 1.216 1.00 0.37 C ATOM 437 O GLN A 27 -2.019 0.659 1.323 1.00 0.39 O ATOM 438 CB GLN A 27 -0.481 3.343 2.650 1.00 0.41 C ATOM 439 CG GLN A 27 0.840 4.126 2.689 1.00 0.43 C ATOM 440 CD GLN A 27 0.583 5.591 2.321 1.00 0.41 C ATOM 441 OE1 GLN A 27 0.305 5.905 1.181 1.00 0.42 O ATOM 442 NE2 GLN A 27 0.653 6.507 3.239 1.00 0.46 N ATOM 0 H GLN A 27 -0.676 4.579 0.577 1.00 0.38 H new ATOM 0 HA GLN A 27 0.182 1.823 1.237 1.00 0.39 H new ATOM 0 HB2 GLN A 27 -1.323 4.026 2.761 1.00 0.41 H new ATOM 0 HB3 GLN A 27 -0.525 2.644 3.485 1.00 0.41 H new ATOM 0 HG2 GLN A 27 1.282 4.063 3.683 1.00 0.43 H new ATOM 0 HG3 GLN A 27 1.555 3.686 1.994 1.00 0.43 H new ATOM 0 HE21 GLN A 27 0.886 6.251 4.198 1.00 0.46 H new ATOM 0 HE22 GLN A 27 0.475 7.483 3.001 1.00 0.46 H new ATOM 451 N ASN A 28 -3.014 2.599 0.970 1.00 0.35 N ATOM 452 CA ASN A 28 -4.353 1.944 0.821 1.00 0.35 C ATOM 453 C ASN A 28 -4.308 0.968 -0.361 1.00 0.36 C ATOM 454 O ASN A 28 -4.905 -0.092 -0.331 1.00 0.38 O ATOM 455 CB ASN A 28 -5.337 3.092 0.542 1.00 0.36 C ATOM 456 CG ASN A 28 -6.629 2.882 1.334 1.00 0.38 C ATOM 457 OD1 ASN A 28 -6.874 3.566 2.305 1.00 0.44 O ATOM 458 ND2 ASN A 28 -7.473 1.966 0.961 1.00 0.46 N ATOM 0 H ASN A 28 -3.013 3.614 0.867 1.00 0.35 H new ATOM 0 HA ASN A 28 -4.646 1.377 1.704 1.00 0.35 H new ATOM 0 HB2 ASN A 28 -4.884 4.044 0.817 1.00 0.36 H new ATOM 0 HB3 ASN A 28 -5.559 3.140 -0.524 1.00 0.36 H new ATOM 0 HD21 ASN A 28 -8.337 1.825 1.484 1.00 0.46 H new ATOM 0 HD22 ASN A 28 -7.271 1.388 0.145 1.00 0.46 H new ATOM 465 N LEU A 29 -3.563 1.307 -1.382 1.00 0.37 N ATOM 466 CA LEU A 29 -3.421 0.405 -2.558 1.00 0.39 C ATOM 467 C LEU A 29 -2.531 -0.774 -2.154 1.00 0.40 C ATOM 468 O LEU A 29 -2.833 -1.921 -2.428 1.00 0.42 O ATOM 469 CB LEU A 29 -2.789 1.291 -3.657 1.00 0.42 C ATOM 470 CG LEU A 29 -1.459 0.713 -4.160 1.00 0.46 C ATOM 471 CD1 LEU A 29 -1.728 -0.442 -5.124 1.00 0.50 C ATOM 472 CD2 LEU A 29 -0.677 1.805 -4.892 1.00 0.52 C ATOM 0 H LEU A 29 -3.042 2.181 -1.449 1.00 0.37 H new ATOM 0 HA LEU A 29 -4.357 -0.023 -2.917 1.00 0.39 H new ATOM 0 HB2 LEU A 29 -3.483 1.385 -4.492 1.00 0.42 H new ATOM 0 HB3 LEU A 29 -2.624 2.295 -3.265 1.00 0.42 H new ATOM 0 HG LEU A 29 -0.881 0.349 -3.310 1.00 0.46 H new ATOM 0 HD11 LEU A 29 -0.781 -0.849 -5.478 1.00 0.50 H new ATOM 0 HD12 LEU A 29 -2.288 -1.223 -4.609 1.00 0.50 H new ATOM 0 HD13 LEU A 29 -2.307 -0.080 -5.973 1.00 0.50 H new ATOM 0 HD21 LEU A 29 0.268 1.397 -5.250 1.00 0.52 H new ATOM 0 HD22 LEU A 29 -1.261 2.165 -5.739 1.00 0.52 H new ATOM 0 HD23 LEU A 29 -0.480 2.631 -4.209 1.00 0.52 H new ATOM 484 N GLN A 30 -1.440 -0.490 -1.482 1.00 0.40 N ATOM 485 CA GLN A 30 -0.530 -1.580 -1.035 1.00 0.44 C ATOM 486 C GLN A 30 -1.255 -2.475 -0.028 1.00 0.42 C ATOM 487 O GLN A 30 -1.244 -3.686 -0.134 1.00 0.44 O ATOM 488 CB GLN A 30 0.667 -0.877 -0.387 1.00 0.48 C ATOM 489 CG GLN A 30 1.618 -0.357 -1.473 1.00 0.54 C ATOM 490 CD GLN A 30 2.765 0.420 -0.822 1.00 1.02 C ATOM 491 OE1 GLN A 30 2.560 1.157 0.119 1.00 1.31 O ATOM 492 NE2 GLN A 30 3.976 0.287 -1.281 1.00 1.70 N ATOM 0 H GLN A 30 -1.145 0.452 -1.226 1.00 0.40 H new ATOM 0 HA GLN A 30 -0.210 -2.219 -1.858 1.00 0.44 H new ATOM 0 HB2 GLN A 30 0.322 -0.050 0.233 1.00 0.48 H new ATOM 0 HB3 GLN A 30 1.194 -1.569 0.270 1.00 0.48 H new ATOM 0 HG2 GLN A 30 2.013 -1.190 -2.054 1.00 0.54 H new ATOM 0 HG3 GLN A 30 1.077 0.287 -2.167 1.00 0.54 H new ATOM 0 HE21 GLN A 30 4.157 -0.331 -2.072 1.00 1.70 H new ATOM 0 HE22 GLN A 30 4.744 0.801 -0.849 1.00 1.70 H new ATOM 501 N ASN A 31 -1.906 -1.874 0.933 1.00 0.40 N ATOM 502 CA ASN A 31 -2.670 -2.660 1.950 1.00 0.40 C ATOM 503 C ASN A 31 -3.675 -3.576 1.238 1.00 0.38 C ATOM 504 O ASN A 31 -3.770 -4.755 1.521 1.00 0.41 O ATOM 505 CB ASN A 31 -3.382 -1.597 2.798 1.00 0.40 C ATOM 506 CG ASN A 31 -4.147 -2.256 3.943 1.00 0.47 C ATOM 507 OD1 ASN A 31 -5.318 -2.535 3.820 1.00 0.56 O ATOM 508 ND2 ASN A 31 -3.537 -2.510 5.064 1.00 0.64 N ATOM 0 H ASN A 31 -1.942 -0.862 1.059 1.00 0.40 H new ATOM 0 HA ASN A 31 -2.040 -3.304 2.563 1.00 0.40 H new ATOM 0 HB2 ASN A 31 -2.653 -0.892 3.197 1.00 0.40 H new ATOM 0 HB3 ASN A 31 -4.069 -1.025 2.174 1.00 0.40 H new ATOM 0 HD21 ASN A 31 -4.046 -2.943 5.835 1.00 0.64 H new ATOM 0 HD22 ASN A 31 -2.550 -2.276 5.172 1.00 0.64 H new ATOM 515 N LEU A 32 -4.392 -3.037 0.292 1.00 0.37 N ATOM 516 CA LEU A 32 -5.371 -3.842 -0.483 1.00 0.37 C ATOM 517 C LEU A 32 -4.627 -4.909 -1.280 1.00 0.39 C ATOM 518 O LEU A 32 -5.009 -6.056 -1.292 1.00 0.40 O ATOM 519 CB LEU A 32 -6.067 -2.838 -1.411 1.00 0.39 C ATOM 520 CG LEU A 32 -6.991 -3.579 -2.382 1.00 0.45 C ATOM 521 CD1 LEU A 32 -8.332 -2.852 -2.469 1.00 0.59 C ATOM 522 CD2 LEU A 32 -6.348 -3.620 -3.770 1.00 0.57 C ATOM 0 H LEU A 32 -4.338 -2.055 0.020 1.00 0.37 H new ATOM 0 HA LEU A 32 -6.093 -4.360 0.148 1.00 0.37 H new ATOM 0 HB2 LEU A 32 -6.642 -2.123 -0.822 1.00 0.39 H new ATOM 0 HB3 LEU A 32 -5.323 -2.267 -1.967 1.00 0.39 H new ATOM 0 HG LEU A 32 -7.150 -4.596 -2.022 1.00 0.45 H new ATOM 0 HD11 LEU A 32 -8.988 -3.381 -3.160 1.00 0.59 H new ATOM 0 HD12 LEU A 32 -8.794 -2.821 -1.482 1.00 0.59 H new ATOM 0 HD13 LEU A 32 -8.172 -1.835 -2.827 1.00 0.59 H new ATOM 0 HD21 LEU A 32 -7.006 -4.148 -4.460 1.00 0.57 H new ATOM 0 HD22 LEU A 32 -6.188 -2.603 -4.127 1.00 0.57 H new ATOM 0 HD23 LEU A 32 -5.391 -4.139 -3.713 1.00 0.57 H new ATOM 534 N PHE A 33 -3.554 -4.540 -1.926 1.00 0.41 N ATOM 535 CA PHE A 33 -2.769 -5.542 -2.711 1.00 0.44 C ATOM 536 C PHE A 33 -2.291 -6.670 -1.785 1.00 0.45 C ATOM 537 O PHE A 33 -2.431 -7.838 -2.096 1.00 0.47 O ATOM 538 CB PHE A 33 -1.575 -4.764 -3.274 1.00 0.48 C ATOM 539 CG PHE A 33 -1.788 -4.503 -4.746 1.00 0.53 C ATOM 540 CD1 PHE A 33 -2.724 -3.548 -5.162 1.00 0.56 C ATOM 541 CD2 PHE A 33 -1.047 -5.216 -5.695 1.00 0.63 C ATOM 542 CE1 PHE A 33 -2.919 -3.307 -6.527 1.00 0.64 C ATOM 543 CE2 PHE A 33 -1.242 -4.976 -7.060 1.00 0.70 C ATOM 544 CZ PHE A 33 -2.178 -4.020 -7.476 1.00 0.69 C ATOM 0 H PHE A 33 -3.185 -3.589 -1.946 1.00 0.41 H new ATOM 0 HA PHE A 33 -3.358 -6.004 -3.503 1.00 0.44 H new ATOM 0 HB2 PHE A 33 -1.459 -3.821 -2.740 1.00 0.48 H new ATOM 0 HB3 PHE A 33 -0.656 -5.330 -3.124 1.00 0.48 H new ATOM 0 HD1 PHE A 33 -3.295 -2.997 -4.429 1.00 0.56 H new ATOM 0 HD2 PHE A 33 -0.324 -5.952 -5.374 1.00 0.63 H new ATOM 0 HE1 PHE A 33 -3.641 -2.571 -6.848 1.00 0.64 H new ATOM 0 HE2 PHE A 33 -0.671 -5.528 -7.792 1.00 0.70 H new ATOM 0 HZ PHE A 33 -2.328 -3.833 -8.529 1.00 0.69 H new ATOM 554 N ILE A 34 -1.748 -6.329 -0.641 1.00 0.44 N ATOM 555 CA ILE A 34 -1.276 -7.382 0.315 1.00 0.47 C ATOM 556 C ILE A 34 -2.477 -8.085 0.972 1.00 0.45 C ATOM 557 O ILE A 34 -2.483 -9.293 1.135 1.00 0.47 O ATOM 558 CB ILE A 34 -0.441 -6.627 1.355 1.00 0.51 C ATOM 559 CG1 ILE A 34 0.905 -6.241 0.737 1.00 0.58 C ATOM 560 CG2 ILE A 34 -0.194 -7.516 2.578 1.00 0.58 C ATOM 561 CD1 ILE A 34 1.226 -4.785 1.077 1.00 0.70 C ATOM 0 H ILE A 34 -1.611 -5.368 -0.328 1.00 0.44 H new ATOM 0 HA ILE A 34 -0.695 -8.161 -0.178 1.00 0.47 H new ATOM 0 HB ILE A 34 -0.981 -5.732 1.665 1.00 0.51 H new ATOM 0 HG12 ILE A 34 1.691 -6.895 1.114 1.00 0.58 H new ATOM 0 HG13 ILE A 34 0.872 -6.374 -0.344 1.00 0.58 H new ATOM 0 HG21 ILE A 34 0.400 -6.970 3.311 1.00 0.58 H new ATOM 0 HG22 ILE A 34 -1.149 -7.797 3.022 1.00 0.58 H new ATOM 0 HG23 ILE A 34 0.343 -8.414 2.272 1.00 0.58 H new ATOM 0 HD11 ILE A 34 2.185 -4.511 0.636 1.00 0.70 H new ATOM 0 HD12 ILE A 34 0.445 -4.138 0.678 1.00 0.70 H new ATOM 0 HD13 ILE A 34 1.277 -4.667 2.159 1.00 0.70 H new ATOM 573 N ASN A 35 -3.499 -7.345 1.333 1.00 0.42 N ATOM 574 CA ASN A 35 -4.692 -7.966 1.961 1.00 0.42 C ATOM 575 C ASN A 35 -5.441 -8.779 0.916 1.00 0.40 C ATOM 576 O ASN A 35 -5.824 -9.911 1.149 1.00 0.41 O ATOM 577 CB ASN A 35 -5.542 -6.792 2.457 1.00 0.42 C ATOM 578 CG ASN A 35 -6.733 -7.317 3.252 1.00 0.47 C ATOM 579 OD1 ASN A 35 -7.805 -7.488 2.717 1.00 0.51 O ATOM 580 ND2 ASN A 35 -6.589 -7.582 4.516 1.00 0.55 N ATOM 0 H ASN A 35 -3.551 -6.333 1.216 1.00 0.42 H new ATOM 0 HA ASN A 35 -4.439 -8.642 2.778 1.00 0.42 H new ATOM 0 HB2 ASN A 35 -4.939 -6.132 3.081 1.00 0.42 H new ATOM 0 HB3 ASN A 35 -5.890 -6.200 1.611 1.00 0.42 H new ATOM 0 HD21 ASN A 35 -7.379 -7.934 5.057 1.00 0.55 H new ATOM 0 HD22 ASN A 35 -5.686 -7.438 4.968 1.00 0.55 H new ATOM 587 N PHE A 36 -5.636 -8.209 -0.241 1.00 0.39 N ATOM 588 CA PHE A 36 -6.353 -8.951 -1.315 1.00 0.40 C ATOM 589 C PHE A 36 -5.592 -10.237 -1.663 1.00 0.40 C ATOM 590 O PHE A 36 -6.166 -11.309 -1.748 1.00 0.42 O ATOM 591 CB PHE A 36 -6.406 -7.998 -2.515 1.00 0.42 C ATOM 592 CG PHE A 36 -7.107 -8.668 -3.673 1.00 0.48 C ATOM 593 CD1 PHE A 36 -8.493 -8.862 -3.636 1.00 0.56 C ATOM 594 CD2 PHE A 36 -6.369 -9.093 -4.783 1.00 0.56 C ATOM 595 CE1 PHE A 36 -9.140 -9.483 -4.710 1.00 0.65 C ATOM 596 CE2 PHE A 36 -7.016 -9.714 -5.858 1.00 0.65 C ATOM 597 CZ PHE A 36 -8.402 -9.909 -5.822 1.00 0.66 C ATOM 0 H PHE A 36 -5.332 -7.267 -0.488 1.00 0.39 H new ATOM 0 HA PHE A 36 -7.355 -9.250 -1.009 1.00 0.40 H new ATOM 0 HB2 PHE A 36 -6.931 -7.083 -2.241 1.00 0.42 H new ATOM 0 HB3 PHE A 36 -5.396 -7.711 -2.807 1.00 0.42 H new ATOM 0 HD1 PHE A 36 -9.062 -8.533 -2.779 1.00 0.56 H new ATOM 0 HD2 PHE A 36 -5.300 -8.942 -4.811 1.00 0.56 H new ATOM 0 HE1 PHE A 36 -10.209 -9.634 -4.682 1.00 0.65 H new ATOM 0 HE2 PHE A 36 -6.446 -10.043 -6.715 1.00 0.65 H new ATOM 0 HZ PHE A 36 -8.902 -10.388 -6.651 1.00 0.66 H new ATOM 607 N ALA A 37 -4.304 -10.133 -1.843 1.00 0.42 N ATOM 608 CA ALA A 37 -3.480 -11.335 -2.167 1.00 0.44 C ATOM 609 C ALA A 37 -3.567 -12.362 -1.029 1.00 0.43 C ATOM 610 O ALA A 37 -3.812 -13.533 -1.260 1.00 0.44 O ATOM 611 CB ALA A 37 -2.047 -10.810 -2.316 1.00 0.49 C ATOM 0 H ALA A 37 -3.781 -9.259 -1.779 1.00 0.42 H new ATOM 0 HA ALA A 37 -3.822 -11.838 -3.071 1.00 0.44 H new ATOM 0 HB1 ALA A 37 -1.379 -11.638 -2.555 1.00 0.49 H new ATOM 0 HB2 ALA A 37 -2.011 -10.072 -3.117 1.00 0.49 H new ATOM 0 HB3 ALA A 37 -1.730 -10.347 -1.382 1.00 0.49 H new ATOM 617 N LEU A 38 -3.382 -11.931 0.200 1.00 0.43 N ATOM 618 CA LEU A 38 -3.467 -12.891 1.345 1.00 0.45 C ATOM 619 C LEU A 38 -4.879 -13.493 1.419 1.00 0.43 C ATOM 620 O LEU A 38 -5.041 -14.671 1.675 1.00 0.45 O ATOM 621 CB LEU A 38 -3.092 -12.074 2.604 1.00 0.49 C ATOM 622 CG LEU A 38 -4.330 -11.713 3.439 1.00 0.50 C ATOM 623 CD1 LEU A 38 -4.727 -12.902 4.316 1.00 0.58 C ATOM 624 CD2 LEU A 38 -4.002 -10.520 4.336 1.00 0.55 C ATOM 0 H LEU A 38 -3.178 -10.965 0.455 1.00 0.43 H new ATOM 0 HA LEU A 38 -2.791 -13.740 1.239 1.00 0.45 H new ATOM 0 HB2 LEU A 38 -2.396 -12.648 3.216 1.00 0.49 H new ATOM 0 HB3 LEU A 38 -2.576 -11.161 2.305 1.00 0.49 H new ATOM 0 HG LEU A 38 -5.154 -11.462 2.771 1.00 0.50 H new ATOM 0 HD11 LEU A 38 -5.605 -12.641 4.906 1.00 0.58 H new ATOM 0 HD12 LEU A 38 -4.956 -13.760 3.684 1.00 0.58 H new ATOM 0 HD13 LEU A 38 -3.903 -13.153 4.983 1.00 0.58 H new ATOM 0 HD21 LEU A 38 -4.878 -10.260 4.931 1.00 0.55 H new ATOM 0 HD22 LEU A 38 -3.177 -10.780 4.999 1.00 0.55 H new ATOM 0 HD23 LEU A 38 -3.717 -9.668 3.719 1.00 0.55 H new ATOM 636 N ILE A 39 -5.900 -12.713 1.162 1.00 0.42 N ATOM 637 CA ILE A 39 -7.283 -13.279 1.185 1.00 0.43 C ATOM 638 C ILE A 39 -7.425 -14.270 0.024 1.00 0.41 C ATOM 639 O ILE A 39 -7.937 -15.362 0.185 1.00 0.42 O ATOM 640 CB ILE A 39 -8.222 -12.077 1.009 1.00 0.45 C ATOM 641 CG1 ILE A 39 -8.304 -11.298 2.326 1.00 0.50 C ATOM 642 CG2 ILE A 39 -9.624 -12.563 0.624 1.00 0.50 C ATOM 643 CD1 ILE A 39 -9.137 -10.031 2.122 1.00 0.54 C ATOM 0 H ILE A 39 -5.837 -11.720 0.940 1.00 0.42 H new ATOM 0 HA ILE A 39 -7.513 -13.814 2.106 1.00 0.43 H new ATOM 0 HB ILE A 39 -7.833 -11.432 0.221 1.00 0.45 H new ATOM 0 HG12 ILE A 39 -8.753 -11.920 3.101 1.00 0.50 H new ATOM 0 HG13 ILE A 39 -7.303 -11.036 2.668 1.00 0.50 H new ATOM 0 HG21 ILE A 39 -10.285 -11.705 0.501 1.00 0.50 H new ATOM 0 HG22 ILE A 39 -9.572 -13.119 -0.312 1.00 0.50 H new ATOM 0 HG23 ILE A 39 -10.013 -13.211 1.409 1.00 0.50 H new ATOM 0 HD11 ILE A 39 -9.194 -9.478 3.060 1.00 0.54 H new ATOM 0 HD12 ILE A 39 -8.669 -9.407 1.361 1.00 0.54 H new ATOM 0 HD13 ILE A 39 -10.142 -10.304 1.800 1.00 0.54 H new ATOM 655 N LEU A 40 -6.952 -13.900 -1.143 1.00 0.40 N ATOM 656 CA LEU A 40 -7.032 -14.814 -2.320 1.00 0.41 C ATOM 657 C LEU A 40 -6.196 -16.079 -2.078 1.00 0.39 C ATOM 658 O LEU A 40 -6.652 -17.182 -2.321 1.00 0.40 O ATOM 659 CB LEU A 40 -6.466 -14.008 -3.500 1.00 0.45 C ATOM 660 CG LEU A 40 -7.538 -13.826 -4.581 1.00 0.54 C ATOM 661 CD1 LEU A 40 -7.954 -15.192 -5.134 1.00 0.63 C ATOM 662 CD2 LEU A 40 -8.761 -13.127 -3.981 1.00 0.56 C ATOM 0 H LEU A 40 -6.512 -12.999 -1.328 1.00 0.40 H new ATOM 0 HA LEU A 40 -8.053 -15.145 -2.509 1.00 0.41 H new ATOM 0 HB2 LEU A 40 -6.121 -13.034 -3.152 1.00 0.45 H new ATOM 0 HB3 LEU A 40 -5.601 -14.522 -3.919 1.00 0.45 H new ATOM 0 HG LEU A 40 -7.131 -13.218 -5.389 1.00 0.54 H new ATOM 0 HD11 LEU A 40 -8.716 -15.057 -5.902 1.00 0.63 H new ATOM 0 HD12 LEU A 40 -7.086 -15.689 -5.568 1.00 0.63 H new ATOM 0 HD13 LEU A 40 -8.357 -15.804 -4.327 1.00 0.63 H new ATOM 0 HD21 LEU A 40 -9.521 -12.999 -4.751 1.00 0.56 H new ATOM 0 HD22 LEU A 40 -9.165 -13.733 -3.170 1.00 0.56 H new ATOM 0 HD23 LEU A 40 -8.469 -12.151 -3.594 1.00 0.56 H new ATOM 674 N ILE A 41 -4.979 -15.934 -1.597 1.00 0.40 N ATOM 675 CA ILE A 41 -4.129 -17.143 -1.347 1.00 0.41 C ATOM 676 C ILE A 41 -4.765 -18.031 -0.265 1.00 0.38 C ATOM 677 O ILE A 41 -4.782 -19.239 -0.384 1.00 0.41 O ATOM 678 CB ILE A 41 -2.748 -16.600 -0.926 1.00 0.47 C ATOM 679 CG1 ILE A 41 -1.665 -17.596 -1.344 1.00 0.58 C ATOM 680 CG2 ILE A 41 -2.673 -16.390 0.589 1.00 0.50 C ATOM 681 CD1 ILE A 41 -0.406 -16.835 -1.763 1.00 0.92 C ATOM 0 H ILE A 41 -4.544 -15.040 -1.370 1.00 0.40 H new ATOM 0 HA ILE A 41 -4.036 -17.776 -2.229 1.00 0.41 H new ATOM 0 HB ILE A 41 -2.595 -15.639 -1.418 1.00 0.47 H new ATOM 0 HG12 ILE A 41 -1.437 -18.270 -0.518 1.00 0.58 H new ATOM 0 HG13 ILE A 41 -2.022 -18.212 -2.169 1.00 0.58 H new ATOM 0 HG21 ILE A 41 -1.688 -16.007 0.855 1.00 0.50 H new ATOM 0 HG22 ILE A 41 -3.436 -15.674 0.895 1.00 0.50 H new ATOM 0 HG23 ILE A 41 -2.842 -17.340 1.097 1.00 0.50 H new ATOM 0 HD11 ILE A 41 0.366 -17.545 -2.061 1.00 0.92 H new ATOM 0 HD12 ILE A 41 -0.639 -16.179 -2.602 1.00 0.92 H new ATOM 0 HD13 ILE A 41 -0.046 -16.238 -0.925 1.00 0.92 H new ATOM 693 N PHE A 42 -5.307 -17.445 0.773 1.00 0.36 N ATOM 694 CA PHE A 42 -5.955 -18.261 1.845 1.00 0.37 C ATOM 695 C PHE A 42 -7.260 -18.890 1.328 1.00 0.34 C ATOM 696 O PHE A 42 -7.614 -19.993 1.699 1.00 0.36 O ATOM 697 CB PHE A 42 -6.244 -17.281 2.987 1.00 0.44 C ATOM 698 CG PHE A 42 -5.162 -17.396 4.035 1.00 0.51 C ATOM 699 CD1 PHE A 42 -5.286 -18.332 5.069 1.00 0.66 C ATOM 700 CD2 PHE A 42 -4.037 -16.566 3.975 1.00 0.57 C ATOM 701 CE1 PHE A 42 -4.285 -18.439 6.041 1.00 0.77 C ATOM 702 CE2 PHE A 42 -3.036 -16.671 4.947 1.00 0.67 C ATOM 703 CZ PHE A 42 -3.160 -17.608 5.981 1.00 0.74 C ATOM 0 H PHE A 42 -5.329 -16.437 0.924 1.00 0.36 H new ATOM 0 HA PHE A 42 -5.317 -19.082 2.171 1.00 0.37 H new ATOM 0 HB2 PHE A 42 -6.287 -16.262 2.604 1.00 0.44 H new ATOM 0 HB3 PHE A 42 -7.217 -17.497 3.428 1.00 0.44 H new ATOM 0 HD1 PHE A 42 -6.155 -18.972 5.116 1.00 0.66 H new ATOM 0 HD2 PHE A 42 -3.941 -15.844 3.178 1.00 0.57 H new ATOM 0 HE1 PHE A 42 -4.380 -19.162 6.837 1.00 0.77 H new ATOM 0 HE2 PHE A 42 -2.168 -16.030 4.900 1.00 0.67 H new ATOM 0 HZ PHE A 42 -2.388 -17.689 6.732 1.00 0.74 H new ATOM 713 N LEU A 43 -7.966 -18.202 0.465 1.00 0.33 N ATOM 714 CA LEU A 43 -9.239 -18.753 -0.082 1.00 0.36 C ATOM 715 C LEU A 43 -8.907 -19.845 -1.102 1.00 0.33 C ATOM 716 O LEU A 43 -9.430 -20.943 -1.035 1.00 0.35 O ATOM 717 CB LEU A 43 -9.975 -17.540 -0.699 1.00 0.42 C ATOM 718 CG LEU A 43 -10.285 -17.754 -2.187 1.00 0.44 C ATOM 719 CD1 LEU A 43 -11.446 -18.737 -2.339 1.00 0.50 C ATOM 720 CD2 LEU A 43 -10.678 -16.416 -2.813 1.00 0.52 C ATOM 0 H LEU A 43 -7.712 -17.278 0.116 1.00 0.33 H new ATOM 0 HA LEU A 43 -9.876 -19.225 0.666 1.00 0.36 H new ATOM 0 HB2 LEU A 43 -10.904 -17.365 -0.156 1.00 0.42 H new ATOM 0 HB3 LEU A 43 -9.363 -16.646 -0.581 1.00 0.42 H new ATOM 0 HG LEU A 43 -9.403 -18.156 -2.686 1.00 0.44 H new ATOM 0 HD11 LEU A 43 -11.661 -18.885 -3.397 1.00 0.50 H new ATOM 0 HD12 LEU A 43 -11.176 -19.691 -1.887 1.00 0.50 H new ATOM 0 HD13 LEU A 43 -12.329 -18.337 -1.841 1.00 0.50 H new ATOM 0 HD21 LEU A 43 -10.900 -16.560 -3.870 1.00 0.52 H new ATOM 0 HD22 LEU A 43 -11.560 -16.023 -2.308 1.00 0.52 H new ATOM 0 HD23 LEU A 43 -9.855 -15.709 -2.708 1.00 0.52 H new ATOM 732 N LEU A 44 -8.009 -19.572 -2.017 1.00 0.32 N ATOM 733 CA LEU A 44 -7.623 -20.618 -2.998 1.00 0.33 C ATOM 734 C LEU A 44 -6.968 -21.780 -2.237 1.00 0.30 C ATOM 735 O LEU A 44 -7.096 -22.932 -2.613 1.00 0.32 O ATOM 736 CB LEU A 44 -6.662 -19.932 -3.995 1.00 0.38 C ATOM 737 CG LEU A 44 -5.201 -20.053 -3.542 1.00 0.42 C ATOM 738 CD1 LEU A 44 -4.630 -21.401 -3.985 1.00 0.54 C ATOM 739 CD2 LEU A 44 -4.383 -18.933 -4.186 1.00 0.48 C ATOM 0 H LEU A 44 -7.533 -18.676 -2.122 1.00 0.32 H new ATOM 0 HA LEU A 44 -8.467 -21.037 -3.545 1.00 0.33 H new ATOM 0 HB2 LEU A 44 -6.777 -20.382 -4.981 1.00 0.38 H new ATOM 0 HB3 LEU A 44 -6.928 -18.879 -4.092 1.00 0.38 H new ATOM 0 HG LEU A 44 -5.154 -19.977 -2.456 1.00 0.42 H new ATOM 0 HD11 LEU A 44 -3.592 -21.481 -3.661 1.00 0.54 H new ATOM 0 HD12 LEU A 44 -5.213 -22.207 -3.539 1.00 0.54 H new ATOM 0 HD13 LEU A 44 -4.677 -21.477 -5.071 1.00 0.54 H new ATOM 0 HD21 LEU A 44 -3.343 -19.013 -3.868 1.00 0.48 H new ATOM 0 HD22 LEU A 44 -4.439 -19.020 -5.271 1.00 0.48 H new ATOM 0 HD23 LEU A 44 -4.783 -17.967 -3.878 1.00 0.48 H new ATOM 751 N LEU A 45 -6.285 -21.484 -1.149 1.00 0.27 N ATOM 752 CA LEU A 45 -5.645 -22.577 -0.356 1.00 0.29 C ATOM 753 C LEU A 45 -6.715 -23.384 0.380 1.00 0.29 C ATOM 754 O LEU A 45 -6.736 -24.600 0.318 1.00 0.32 O ATOM 755 CB LEU A 45 -4.705 -21.877 0.630 1.00 0.34 C ATOM 756 CG LEU A 45 -3.929 -22.923 1.434 1.00 0.43 C ATOM 757 CD1 LEU A 45 -2.449 -22.544 1.471 1.00 0.64 C ATOM 758 CD2 LEU A 45 -4.472 -22.977 2.862 1.00 0.61 C ATOM 0 H LEU A 45 -6.147 -20.542 -0.784 1.00 0.27 H new ATOM 0 HA LEU A 45 -5.099 -23.278 -0.987 1.00 0.29 H new ATOM 0 HB2 LEU A 45 -4.012 -21.231 0.091 1.00 0.34 H new ATOM 0 HB3 LEU A 45 -5.278 -21.239 1.303 1.00 0.34 H new ATOM 0 HG LEU A 45 -4.045 -23.899 0.962 1.00 0.43 H new ATOM 0 HD11 LEU A 45 -1.897 -23.289 2.044 1.00 0.64 H new ATOM 0 HD12 LEU A 45 -2.058 -22.505 0.454 1.00 0.64 H new ATOM 0 HD13 LEU A 45 -2.335 -21.567 1.941 1.00 0.64 H new ATOM 0 HD21 LEU A 45 -3.919 -23.722 3.434 1.00 0.61 H new ATOM 0 HD22 LEU A 45 -4.357 -22.000 3.332 1.00 0.61 H new ATOM 0 HD23 LEU A 45 -5.528 -23.247 2.840 1.00 0.61 H new ATOM 770 N ILE A 46 -7.620 -22.720 1.050 1.00 0.30 N ATOM 771 CA ILE A 46 -8.707 -23.458 1.760 1.00 0.35 C ATOM 772 C ILE A 46 -9.560 -24.195 0.717 1.00 0.36 C ATOM 773 O ILE A 46 -9.949 -25.332 0.914 1.00 0.41 O ATOM 774 CB ILE A 46 -9.502 -22.386 2.534 1.00 0.41 C ATOM 775 CG1 ILE A 46 -9.949 -22.958 3.887 1.00 0.49 C ATOM 776 CG2 ILE A 46 -10.729 -21.927 1.741 1.00 0.45 C ATOM 777 CD1 ILE A 46 -11.033 -24.023 3.682 1.00 0.56 C ATOM 0 H ILE A 46 -7.654 -21.704 1.136 1.00 0.30 H new ATOM 0 HA ILE A 46 -8.342 -24.214 2.456 1.00 0.35 H new ATOM 0 HB ILE A 46 -8.854 -21.524 2.689 1.00 0.41 H new ATOM 0 HG12 ILE A 46 -9.095 -23.394 4.405 1.00 0.49 H new ATOM 0 HG13 ILE A 46 -10.331 -22.157 4.520 1.00 0.49 H new ATOM 0 HG21 ILE A 46 -11.269 -21.172 2.312 1.00 0.45 H new ATOM 0 HG22 ILE A 46 -10.409 -21.503 0.789 1.00 0.45 H new ATOM 0 HG23 ILE A 46 -11.383 -22.779 1.557 1.00 0.45 H new ATOM 0 HD11 ILE A 46 -11.341 -24.420 4.649 1.00 0.56 H new ATOM 0 HD12 ILE A 46 -11.893 -23.576 3.183 1.00 0.56 H new ATOM 0 HD13 ILE A 46 -10.637 -24.831 3.067 1.00 0.56 H new ATOM 789 N ALA A 47 -9.817 -23.567 -0.411 1.00 0.36 N ATOM 790 CA ALA A 47 -10.604 -24.237 -1.485 1.00 0.42 C ATOM 791 C ALA A 47 -9.878 -25.519 -1.921 1.00 0.41 C ATOM 792 O ALA A 47 -10.481 -26.567 -2.052 1.00 0.46 O ATOM 793 CB ALA A 47 -10.660 -23.224 -2.632 1.00 0.47 C ATOM 0 H ALA A 47 -9.512 -22.618 -0.628 1.00 0.36 H new ATOM 0 HA ALA A 47 -11.604 -24.524 -1.161 1.00 0.42 H new ATOM 0 HB1 ALA A 47 -11.225 -23.646 -3.463 1.00 0.47 H new ATOM 0 HB2 ALA A 47 -11.147 -22.312 -2.288 1.00 0.47 H new ATOM 0 HB3 ALA A 47 -9.647 -22.992 -2.962 1.00 0.47 H new ATOM 799 N ILE A 48 -8.580 -25.443 -2.125 1.00 0.37 N ATOM 800 CA ILE A 48 -7.810 -26.660 -2.529 1.00 0.40 C ATOM 801 C ILE A 48 -7.886 -27.717 -1.415 1.00 0.39 C ATOM 802 O ILE A 48 -8.121 -28.883 -1.671 1.00 0.45 O ATOM 803 CB ILE A 48 -6.365 -26.179 -2.731 1.00 0.43 C ATOM 804 CG1 ILE A 48 -6.243 -25.491 -4.094 1.00 0.50 C ATOM 805 CG2 ILE A 48 -5.405 -27.373 -2.685 1.00 0.49 C ATOM 806 CD1 ILE A 48 -4.910 -24.744 -4.173 1.00 0.59 C ATOM 0 H ILE A 48 -8.026 -24.592 -2.029 1.00 0.37 H new ATOM 0 HA ILE A 48 -8.205 -27.121 -3.434 1.00 0.40 H new ATOM 0 HB ILE A 48 -6.109 -25.478 -1.937 1.00 0.43 H new ATOM 0 HG12 ILE A 48 -6.305 -26.230 -4.893 1.00 0.50 H new ATOM 0 HG13 ILE A 48 -7.070 -24.796 -4.237 1.00 0.50 H new ATOM 0 HG21 ILE A 48 -4.383 -27.024 -2.829 1.00 0.49 H new ATOM 0 HG22 ILE A 48 -5.486 -27.868 -1.717 1.00 0.49 H new ATOM 0 HG23 ILE A 48 -5.662 -28.078 -3.476 1.00 0.49 H new ATOM 0 HD11 ILE A 48 -4.824 -24.255 -5.143 1.00 0.59 H new ATOM 0 HD12 ILE A 48 -4.866 -23.994 -3.383 1.00 0.59 H new ATOM 0 HD13 ILE A 48 -4.089 -25.450 -4.049 1.00 0.59 H new ATOM 818 N ILE A 49 -7.698 -27.312 -0.180 1.00 0.37 N ATOM 819 CA ILE A 49 -7.761 -28.285 0.958 1.00 0.44 C ATOM 820 C ILE A 49 -9.130 -28.971 1.003 1.00 0.49 C ATOM 821 O ILE A 49 -9.232 -30.138 1.322 1.00 0.56 O ATOM 822 CB ILE A 49 -7.538 -27.447 2.221 1.00 0.48 C ATOM 823 CG1 ILE A 49 -6.094 -26.923 2.255 1.00 0.51 C ATOM 824 CG2 ILE A 49 -7.798 -28.299 3.467 1.00 0.60 C ATOM 825 CD1 ILE A 49 -5.109 -28.093 2.346 1.00 0.61 C ATOM 0 H ILE A 49 -7.503 -26.348 0.089 1.00 0.37 H new ATOM 0 HA ILE A 49 -7.016 -29.075 0.858 1.00 0.44 H new ATOM 0 HB ILE A 49 -8.229 -26.604 2.209 1.00 0.48 H new ATOM 0 HG12 ILE A 49 -5.891 -26.336 1.359 1.00 0.51 H new ATOM 0 HG13 ILE A 49 -5.960 -26.258 3.109 1.00 0.51 H new ATOM 0 HG21 ILE A 49 -7.637 -27.696 4.360 1.00 0.60 H new ATOM 0 HG22 ILE A 49 -8.826 -28.660 3.453 1.00 0.60 H new ATOM 0 HG23 ILE A 49 -7.116 -29.149 3.476 1.00 0.60 H new ATOM 0 HD11 ILE A 49 -4.089 -27.709 2.369 1.00 0.61 H new ATOM 0 HD12 ILE A 49 -5.303 -28.662 3.255 1.00 0.61 H new ATOM 0 HD13 ILE A 49 -5.233 -28.741 1.478 1.00 0.61 H new ATOM 837 N VAL A 50 -10.177 -28.262 0.670 1.00 0.49 N ATOM 838 CA VAL A 50 -11.541 -28.885 0.678 1.00 0.60 C ATOM 839 C VAL A 50 -11.536 -30.124 -0.227 1.00 0.65 C ATOM 840 O VAL A 50 -12.040 -31.169 0.135 1.00 0.73 O ATOM 841 CB VAL A 50 -12.489 -27.804 0.137 1.00 0.64 C ATOM 842 CG1 VAL A 50 -13.847 -28.423 -0.210 1.00 0.77 C ATOM 843 CG2 VAL A 50 -12.693 -26.728 1.204 1.00 0.66 C ATOM 0 H VAL A 50 -10.150 -27.281 0.393 1.00 0.49 H new ATOM 0 HA VAL A 50 -11.851 -29.212 1.671 1.00 0.60 H new ATOM 0 HB VAL A 50 -12.051 -27.364 -0.759 1.00 0.64 H new ATOM 0 HG11 VAL A 50 -14.512 -27.649 -0.593 1.00 0.77 H new ATOM 0 HG12 VAL A 50 -13.712 -29.194 -0.969 1.00 0.77 H new ATOM 0 HG13 VAL A 50 -14.284 -28.867 0.685 1.00 0.77 H new ATOM 0 HG21 VAL A 50 -13.365 -25.960 0.822 1.00 0.66 H new ATOM 0 HG22 VAL A 50 -13.126 -27.179 2.097 1.00 0.66 H new ATOM 0 HG23 VAL A 50 -11.733 -26.277 1.455 1.00 0.66 H new ATOM 853 N MET A 51 -10.951 -30.015 -1.395 1.00 0.62 N ATOM 854 CA MET A 51 -10.888 -31.182 -2.316 1.00 0.70 C ATOM 855 C MET A 51 -9.695 -32.091 -1.964 1.00 0.70 C ATOM 856 O MET A 51 -9.631 -33.226 -2.397 1.00 0.79 O ATOM 857 CB MET A 51 -10.711 -30.572 -3.708 1.00 0.73 C ATOM 858 CG MET A 51 -11.930 -29.708 -4.043 1.00 0.79 C ATOM 859 SD MET A 51 -11.582 -28.722 -5.518 1.00 0.85 S ATOM 860 CE MET A 51 -10.333 -27.646 -4.772 1.00 0.71 C ATOM 0 H MET A 51 -10.514 -29.163 -1.747 1.00 0.62 H new ATOM 0 HA MET A 51 -11.780 -31.806 -2.250 1.00 0.70 H new ATOM 0 HB2 MET A 51 -9.804 -29.969 -3.740 1.00 0.73 H new ATOM 0 HB3 MET A 51 -10.595 -31.361 -4.451 1.00 0.73 H new ATOM 0 HG2 MET A 51 -12.802 -30.340 -4.212 1.00 0.79 H new ATOM 0 HG3 MET A 51 -12.168 -29.055 -3.204 1.00 0.79 H new ATOM 0 HE1 MET A 51 -10.714 -26.626 -4.722 1.00 0.71 H new ATOM 0 HE2 MET A 51 -10.104 -27.997 -3.766 1.00 0.71 H new ATOM 0 HE3 MET A 51 -9.427 -27.666 -5.378 1.00 0.71 H new ATOM 870 N LEU A 52 -8.750 -31.608 -1.183 1.00 0.63 N ATOM 871 CA LEU A 52 -7.571 -32.459 -0.815 1.00 0.69 C ATOM 872 C LEU A 52 -7.554 -32.744 0.697 1.00 0.73 C ATOM 873 O LEU A 52 -6.508 -32.785 1.317 1.00 0.78 O ATOM 874 CB LEU A 52 -6.347 -31.630 -1.221 1.00 0.66 C ATOM 875 CG LEU A 52 -5.835 -32.106 -2.581 1.00 0.78 C ATOM 876 CD1 LEU A 52 -6.596 -31.386 -3.693 1.00 0.92 C ATOM 877 CD2 LEU A 52 -4.344 -31.790 -2.702 1.00 1.00 C ATOM 0 H LEU A 52 -8.746 -30.667 -0.788 1.00 0.63 H new ATOM 0 HA LEU A 52 -7.596 -33.429 -1.312 1.00 0.69 H new ATOM 0 HB2 LEU A 52 -6.610 -30.573 -1.269 1.00 0.66 H new ATOM 0 HB3 LEU A 52 -5.563 -31.729 -0.471 1.00 0.66 H new ATOM 0 HG LEU A 52 -5.990 -33.181 -2.671 1.00 0.78 H new ATOM 0 HD11 LEU A 52 -6.231 -31.725 -4.662 1.00 0.92 H new ATOM 0 HD12 LEU A 52 -7.660 -31.607 -3.608 1.00 0.92 H new ATOM 0 HD13 LEU A 52 -6.441 -30.311 -3.603 1.00 0.92 H new ATOM 0 HD21 LEU A 52 -3.978 -32.129 -3.671 1.00 1.00 H new ATOM 0 HD22 LEU A 52 -4.192 -30.714 -2.612 1.00 1.00 H new ATOM 0 HD23 LEU A 52 -3.798 -32.301 -1.909 1.00 1.00 H new ATOM 889 N LEU A 53 -8.705 -32.941 1.287 1.00 0.77 N ATOM 890 CA LEU A 53 -8.767 -33.224 2.749 1.00 0.87 C ATOM 891 C LEU A 53 -8.722 -34.737 3.012 1.00 1.03 C ATOM 892 O LEU A 53 -7.914 -35.150 3.828 1.00 1.12 O ATOM 893 CB LEU A 53 -10.102 -32.631 3.211 1.00 0.90 C ATOM 894 CG LEU A 53 -9.965 -32.114 4.644 1.00 1.04 C ATOM 895 CD1 LEU A 53 -10.185 -30.602 4.668 1.00 1.18 C ATOM 896 CD2 LEU A 53 -11.014 -32.785 5.529 1.00 1.45 C ATOM 897 OXT LEU A 53 -9.495 -35.455 2.396 1.00 1.11 O ATOM 0 H LEU A 53 -9.609 -32.917 0.814 1.00 0.77 H new ATOM 0 HA LEU A 53 -7.922 -32.793 3.286 1.00 0.87 H new ATOM 0 HB2 LEU A 53 -10.400 -31.819 2.548 1.00 0.90 H new ATOM 0 HB3 LEU A 53 -10.885 -33.388 3.160 1.00 0.90 H new ATOM 0 HG LEU A 53 -8.966 -32.344 5.015 1.00 1.04 H new ATOM 0 HD11 LEU A 53 -10.087 -30.236 5.690 1.00 1.18 H new ATOM 0 HD12 LEU A 53 -9.442 -30.116 4.036 1.00 1.18 H new ATOM 0 HD13 LEU A 53 -11.184 -30.374 4.295 1.00 1.18 H new ATOM 0 HD21 LEU A 53 -10.917 -32.417 6.551 1.00 1.45 H new ATOM 0 HD22 LEU A 53 -12.010 -32.553 5.152 1.00 1.45 H new ATOM 0 HD23 LEU A 53 -10.864 -33.865 5.516 1.00 1.45 H new TER 909 LEU A 53