USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= -0.775 USER MOD Single : A 10 GLN : amide:sc= -0.115 X(o=-0.11,f=-0.11) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -2.42! K(o=-2.4!,f=-0.4) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 THR OG1 : rot 66:sc= 0.569 USER MOD Single : A 25 HIS : no HD1:sc= -0.116 K(o=-0.12,f=-1.5!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= -0.781 USER MOD Single : B 10 GLN : amide:sc= -0.0998 X(o=-0.1,f=-0.1) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.159 X(o=-0.16,f=0.0045) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 24 THR OG1 : rot 64:sc= 0.584 USER MOD Single : B 25 HIS : no HD1:sc= -0.115 K(o=-0.12,f=-1.5!) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.111 X(o=0.11,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.302 -18.783 -19.376 1.00 0.77 N ATOM 2 CA GLY A 1 130.966 -18.624 -18.734 1.00 0.81 C ATOM 3 C GLY A 1 130.816 -17.292 -18.022 1.00 0.65 C ATOM 4 O GLY A 1 130.402 -16.302 -18.629 1.00 0.70 O ATOM 0 H1 GLY A 1 132.352 -19.708 -19.848 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.442 -18.028 -20.078 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.045 -18.723 -18.651 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.189 -18.716 -19.493 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.811 -19.433 -18.020 1.00 0.81 H new ATOM 10 N SER A 2 131.157 -17.267 -16.733 1.00 0.55 N ATOM 11 CA SER A 2 131.062 -16.045 -15.934 1.00 0.48 C ATOM 12 C SER A 2 132.446 -15.485 -15.600 1.00 0.47 C ATOM 13 O SER A 2 132.601 -14.739 -14.633 1.00 0.71 O ATOM 14 CB SER A 2 130.273 -16.312 -14.648 1.00 0.54 C ATOM 15 OG SER A 2 128.898 -16.513 -14.924 1.00 0.67 O ATOM 0 H SER A 2 131.501 -18.079 -16.220 1.00 0.55 H new ATOM 0 HA SER A 2 130.534 -15.298 -16.528 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.678 -17.190 -14.145 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.390 -15.471 -13.965 1.00 0.54 H new ATOM 0 HG SER A 2 128.418 -16.683 -14.087 1.00 0.67 H new ATOM 21 N LEU A 3 133.441 -15.820 -16.424 1.00 0.38 N ATOM 22 CA LEU A 3 134.799 -15.317 -16.234 1.00 0.43 C ATOM 23 C LEU A 3 135.051 -14.179 -17.224 1.00 0.53 C ATOM 24 O LEU A 3 136.126 -14.072 -17.820 1.00 0.88 O ATOM 25 CB LEU A 3 135.828 -16.442 -16.431 1.00 0.48 C ATOM 26 CG LEU A 3 135.394 -17.826 -15.934 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.386 -18.889 -16.384 1.00 1.05 C ATOM 28 CD2 LEU A 3 135.254 -17.834 -14.417 1.00 1.42 C ATOM 0 H LEU A 3 133.330 -16.437 -17.228 1.00 0.38 H new ATOM 0 HA LEU A 3 134.907 -14.944 -15.216 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.064 -16.514 -17.493 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.749 -16.163 -15.918 1.00 0.48 H new ATOM 0 HG LEU A 3 134.421 -18.056 -16.368 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.062 -19.865 -16.022 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.435 -18.903 -17.473 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.372 -18.661 -15.979 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.945 -18.825 -14.085 1.00 1.42 H new ATOM 0 HD22 LEU A 3 136.212 -17.581 -13.962 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.505 -17.101 -14.117 1.00 1.42 H new ATOM 40 N THR A 4 134.022 -13.346 -17.406 1.00 0.41 N ATOM 41 CA THR A 4 134.077 -12.226 -18.337 1.00 0.49 C ATOM 42 C THR A 4 133.784 -10.896 -17.634 1.00 0.39 C ATOM 43 O THR A 4 133.933 -10.782 -16.416 1.00 0.39 O ATOM 44 CB THR A 4 133.081 -12.465 -19.481 1.00 0.65 C ATOM 45 OG1 THR A 4 131.764 -12.641 -18.979 1.00 0.64 O ATOM 46 CG2 THR A 4 133.418 -13.678 -20.325 1.00 0.80 C ATOM 0 H THR A 4 133.134 -13.432 -16.912 1.00 0.41 H new ATOM 0 HA THR A 4 135.087 -12.161 -18.743 1.00 0.49 H new ATOM 0 HB THR A 4 133.146 -11.576 -20.108 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.147 -12.790 -19.725 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.675 -13.790 -21.115 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.404 -13.549 -20.770 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.417 -14.569 -19.698 1.00 0.80 H new ATOM 54 N TYR A 5 133.397 -9.887 -18.421 1.00 0.48 N ATOM 55 CA TYR A 5 133.105 -8.542 -17.911 1.00 0.46 C ATOM 56 C TYR A 5 132.022 -8.541 -16.829 1.00 0.42 C ATOM 57 O TYR A 5 131.974 -7.624 -16.007 1.00 0.47 O ATOM 58 CB TYR A 5 132.689 -7.630 -19.074 1.00 0.59 C ATOM 59 CG TYR A 5 132.244 -6.245 -18.653 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.140 -5.345 -18.089 1.00 0.71 C ATOM 61 CD2 TYR A 5 130.926 -5.839 -18.823 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.735 -4.080 -17.707 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.514 -4.576 -18.444 1.00 0.90 C ATOM 64 CZ TYR A 5 131.422 -3.701 -17.886 1.00 0.65 C ATOM 65 OH TYR A 5 131.015 -2.442 -17.508 1.00 0.79 O ATOM 0 H TYR A 5 133.277 -9.979 -19.430 1.00 0.48 H new ATOM 0 HA TYR A 5 134.016 -8.166 -17.446 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.528 -7.535 -19.764 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.878 -8.108 -19.623 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.170 -5.639 -17.947 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.212 -6.522 -19.259 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.444 -3.392 -17.270 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.486 -4.276 -18.584 1.00 0.90 H new ATOM 0 HH TYR A 5 130.061 -2.334 -17.703 1.00 0.79 H new ATOM 75 N GLU A 6 131.167 -9.566 -16.808 1.00 0.48 N ATOM 76 CA GLU A 6 130.116 -9.653 -15.796 1.00 0.50 C ATOM 77 C GLU A 6 130.691 -10.073 -14.437 1.00 0.38 C ATOM 78 O GLU A 6 129.989 -10.040 -13.424 1.00 0.47 O ATOM 79 CB GLU A 6 129.032 -10.642 -16.237 1.00 0.60 C ATOM 80 CG GLU A 6 127.623 -10.205 -15.868 1.00 0.65 C ATOM 81 CD GLU A 6 126.601 -11.310 -16.055 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.438 -12.131 -15.128 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.963 -11.354 -17.128 1.00 1.16 O ATOM 0 H GLU A 6 131.182 -10.339 -17.473 1.00 0.48 H new ATOM 0 HA GLU A 6 129.671 -8.664 -15.687 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.091 -10.775 -17.317 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.232 -11.613 -15.785 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.609 -9.875 -14.829 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.341 -9.347 -16.479 1.00 0.65 H new ATOM 90 N GLU A 7 131.971 -10.462 -14.423 1.00 0.30 N ATOM 91 CA GLU A 7 132.640 -10.881 -13.194 1.00 0.29 C ATOM 92 C GLU A 7 133.496 -9.754 -12.616 1.00 0.28 C ATOM 93 O GLU A 7 133.620 -9.631 -11.396 1.00 0.46 O ATOM 94 CB GLU A 7 133.518 -12.107 -13.456 1.00 0.40 C ATOM 95 CG GLU A 7 133.623 -13.049 -12.266 1.00 0.56 C ATOM 96 CD GLU A 7 134.779 -12.704 -11.345 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.940 -12.968 -11.723 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.523 -12.171 -10.244 1.00 0.81 O ATOM 0 H GLU A 7 132.563 -10.494 -15.253 1.00 0.30 H new ATOM 0 HA GLU A 7 131.868 -11.136 -12.469 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.116 -12.655 -14.308 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.518 -11.774 -13.734 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.692 -13.018 -11.700 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.743 -14.071 -12.626 1.00 0.56 H new ATOM 105 N VAL A 8 134.078 -8.925 -13.489 1.00 0.34 N ATOM 106 CA VAL A 8 134.913 -7.809 -13.048 1.00 0.36 C ATOM 107 C VAL A 8 134.073 -6.715 -12.387 1.00 0.28 C ATOM 108 O VAL A 8 134.519 -6.083 -11.429 1.00 0.39 O ATOM 109 CB VAL A 8 135.728 -7.213 -14.222 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.852 -6.361 -15.131 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.910 -6.409 -13.699 1.00 0.77 C ATOM 0 H VAL A 8 133.985 -9.007 -14.501 1.00 0.34 H new ATOM 0 HA VAL A 8 135.611 -8.205 -12.310 1.00 0.36 H new ATOM 0 HB VAL A 8 136.111 -8.042 -14.817 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.455 -5.958 -15.944 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.051 -6.974 -15.543 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.422 -5.540 -14.557 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.471 -5.998 -14.539 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.547 -5.595 -13.072 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.560 -7.058 -13.112 1.00 0.77 H new ATOM 121 N LEU A 9 132.862 -6.488 -12.909 1.00 0.36 N ATOM 122 CA LEU A 9 131.966 -5.465 -12.366 1.00 0.49 C ATOM 123 C LEU A 9 131.724 -5.683 -10.871 1.00 0.53 C ATOM 124 O LEU A 9 131.762 -4.733 -10.087 1.00 0.73 O ATOM 125 CB LEU A 9 130.631 -5.465 -13.118 1.00 0.66 C ATOM 126 CG LEU A 9 130.648 -4.757 -14.476 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.396 -5.098 -15.272 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.775 -3.250 -14.293 1.00 0.72 C ATOM 0 H LEU A 9 132.482 -6.999 -13.706 1.00 0.36 H new ATOM 0 HA LEU A 9 132.447 -4.496 -12.499 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.317 -6.498 -13.269 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.878 -4.991 -12.489 1.00 0.66 H new ATOM 0 HG LEU A 9 131.515 -5.107 -15.036 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.426 -4.586 -16.234 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.351 -6.175 -15.435 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.514 -4.778 -14.718 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.785 -2.765 -15.269 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.929 -2.881 -13.713 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.702 -3.024 -13.766 1.00 0.72 H new ATOM 140 N GLN A 10 131.483 -6.940 -10.482 1.00 0.42 N ATOM 141 CA GLN A 10 131.244 -7.283 -9.077 1.00 0.49 C ATOM 142 C GLN A 10 132.494 -7.054 -8.221 1.00 0.43 C ATOM 143 O GLN A 10 132.393 -6.877 -7.006 1.00 0.50 O ATOM 144 CB GLN A 10 130.792 -8.741 -8.955 1.00 0.60 C ATOM 145 CG GLN A 10 129.353 -8.973 -9.392 1.00 0.69 C ATOM 146 CD GLN A 10 128.346 -8.322 -8.462 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.818 -7.248 -8.755 1.00 1.31 O ATOM 148 NE2 GLN A 10 128.073 -8.967 -7.332 1.00 0.84 N ATOM 0 H GLN A 10 131.448 -7.735 -11.120 1.00 0.42 H new ATOM 0 HA GLN A 10 130.456 -6.627 -8.708 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.451 -9.368 -9.556 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.904 -9.062 -7.919 1.00 0.60 H new ATOM 0 HG2 GLN A 10 129.216 -8.582 -10.400 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.160 -10.045 -9.437 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.532 -9.854 -7.128 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.404 -8.574 -6.670 1.00 0.84 H new ATOM 157 N GLU A 11 133.665 -7.026 -8.863 1.00 0.41 N ATOM 158 CA GLU A 11 134.925 -6.783 -8.163 1.00 0.44 C ATOM 159 C GLU A 11 135.153 -5.280 -8.009 1.00 0.40 C ATOM 160 O GLU A 11 135.684 -4.822 -6.996 1.00 0.56 O ATOM 161 CB GLU A 11 136.094 -7.417 -8.924 1.00 0.52 C ATOM 162 CG GLU A 11 136.001 -8.931 -9.038 1.00 0.63 C ATOM 163 CD GLU A 11 136.983 -9.504 -10.043 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.202 -9.468 -9.770 1.00 1.54 O ATOM 165 OE2 GLU A 11 136.535 -9.990 -11.102 1.00 1.64 O ATOM 0 H GLU A 11 133.765 -7.169 -9.868 1.00 0.41 H new ATOM 0 HA GLU A 11 134.868 -7.239 -7.175 1.00 0.44 H new ATOM 0 HB2 GLU A 11 136.139 -6.988 -9.925 1.00 0.52 H new ATOM 0 HB3 GLU A 11 137.026 -7.156 -8.423 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.186 -9.377 -8.061 1.00 0.63 H new ATOM 0 HG3 GLU A 11 134.987 -9.208 -9.328 1.00 0.63 H new ATOM 172 N LEU A 12 134.725 -4.519 -9.021 1.00 0.34 N ATOM 173 CA LEU A 12 134.855 -3.064 -9.004 1.00 0.34 C ATOM 174 C LEU A 12 134.091 -2.494 -7.810 1.00 0.31 C ATOM 175 O LEU A 12 134.676 -1.836 -6.949 1.00 0.39 O ATOM 176 CB LEU A 12 134.331 -2.459 -10.316 1.00 0.36 C ATOM 177 CG LEU A 12 135.071 -1.208 -10.806 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.907 -0.061 -9.818 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.547 -1.511 -11.037 1.00 0.59 C ATOM 0 H LEU A 12 134.285 -4.890 -9.863 1.00 0.34 H new ATOM 0 HA LEU A 12 135.909 -2.804 -8.909 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.385 -3.220 -11.094 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.278 -2.210 -10.186 1.00 0.36 H new ATOM 0 HG LEU A 12 134.631 -0.904 -11.756 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.440 0.815 -10.186 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.849 0.177 -9.709 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.314 -0.353 -8.850 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.053 -0.610 -11.384 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.000 -1.845 -10.104 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.644 -2.294 -11.789 1.00 0.59 H new ATOM 191 N VAL A 13 132.779 -2.747 -7.775 1.00 0.26 N ATOM 192 CA VAL A 13 131.930 -2.257 -6.691 1.00 0.26 C ATOM 193 C VAL A 13 132.461 -2.703 -5.325 1.00 0.22 C ATOM 194 O VAL A 13 132.630 -1.876 -4.432 1.00 0.24 O ATOM 195 CB VAL A 13 130.455 -2.705 -6.858 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.331 -4.223 -6.895 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.587 -2.118 -5.751 1.00 0.53 C ATOM 0 H VAL A 13 132.285 -3.288 -8.485 1.00 0.26 H new ATOM 0 HA VAL A 13 131.958 -1.169 -6.741 1.00 0.26 H new ATOM 0 HB VAL A 13 130.100 -2.324 -7.815 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.283 -4.500 -7.013 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.906 -4.615 -7.734 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.714 -4.642 -5.965 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.556 -2.444 -5.886 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.952 -2.460 -4.783 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.632 -1.030 -5.792 1.00 0.53 H new ATOM 207 N LYS A 14 132.712 -4.009 -5.160 1.00 0.24 N ATOM 208 CA LYS A 14 133.212 -4.556 -3.895 1.00 0.23 C ATOM 209 C LYS A 14 134.415 -3.778 -3.359 1.00 0.21 C ATOM 210 O LYS A 14 134.516 -3.549 -2.153 1.00 0.28 O ATOM 211 CB LYS A 14 133.595 -6.029 -4.068 1.00 0.30 C ATOM 212 CG LYS A 14 132.467 -6.994 -3.740 1.00 0.84 C ATOM 213 CD LYS A 14 132.834 -8.425 -4.103 1.00 0.68 C ATOM 214 CE LYS A 14 133.380 -9.185 -2.902 1.00 0.73 C ATOM 215 NZ LYS A 14 132.967 -10.617 -2.910 1.00 0.75 N ATOM 0 H LYS A 14 132.576 -4.707 -5.891 1.00 0.24 H new ATOM 0 HA LYS A 14 132.404 -4.463 -3.169 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.915 -6.194 -5.097 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.449 -6.251 -3.429 1.00 0.30 H new ATOM 0 HG2 LYS A 14 132.234 -6.936 -2.677 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.567 -6.700 -4.280 1.00 0.84 H new ATOM 0 HD2 LYS A 14 131.955 -8.940 -4.491 1.00 0.68 H new ATOM 0 HD3 LYS A 14 133.578 -8.420 -4.900 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.468 -9.122 -2.898 1.00 0.73 H new ATOM 0 HE3 LYS A 14 133.030 -8.712 -1.984 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 133.360 -11.096 -2.075 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.929 -10.679 -2.888 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.323 -11.076 -3.773 1.00 0.75 H new ATOM 229 N HIS A 15 135.316 -3.361 -4.252 1.00 0.25 N ATOM 230 CA HIS A 15 136.497 -2.598 -3.846 1.00 0.27 C ATOM 231 C HIS A 15 136.099 -1.206 -3.361 1.00 0.23 C ATOM 232 O HIS A 15 136.691 -0.677 -2.418 1.00 0.43 O ATOM 233 CB HIS A 15 137.495 -2.494 -5.002 1.00 0.33 C ATOM 234 CG HIS A 15 138.392 -3.687 -5.115 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.768 -3.601 -5.107 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.100 -5.005 -5.229 1.00 0.72 C ATOM 237 CE1 HIS A 15 140.282 -4.814 -5.211 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.291 -5.682 -5.286 1.00 0.72 N ATOM 0 H HIS A 15 135.251 -3.538 -5.254 1.00 0.25 H new ATOM 0 HA HIS A 15 136.976 -3.126 -3.022 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.947 -2.369 -5.936 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.105 -1.600 -4.868 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.113 -5.441 -5.268 1.00 0.72 H new ATOM 0 HE1 HIS A 15 141.335 -5.054 -5.231 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.394 -6.693 -5.372 1.00 0.72 H new ATOM 247 N LYS A 16 135.086 -0.625 -4.004 1.00 0.21 N ATOM 248 CA LYS A 16 134.595 0.698 -3.631 1.00 0.25 C ATOM 249 C LYS A 16 133.829 0.622 -2.311 1.00 0.32 C ATOM 250 O LYS A 16 134.072 1.413 -1.399 1.00 0.62 O ATOM 251 CB LYS A 16 133.693 1.267 -4.732 1.00 0.37 C ATOM 252 CG LYS A 16 134.456 2.002 -5.823 1.00 0.50 C ATOM 253 CD LYS A 16 133.704 1.981 -7.146 1.00 0.57 C ATOM 254 CE LYS A 16 132.915 3.264 -7.365 1.00 0.59 C ATOM 255 NZ LYS A 16 131.578 3.220 -6.708 1.00 0.66 N ATOM 0 H LYS A 16 134.590 -1.052 -4.786 1.00 0.21 H new ATOM 0 HA LYS A 16 135.450 1.362 -3.506 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.125 0.453 -5.182 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.971 1.949 -4.283 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.625 3.034 -5.517 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.436 1.544 -5.954 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.411 1.844 -7.964 1.00 0.57 H new ATOM 0 HD3 LYS A 16 133.025 1.128 -7.165 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.482 4.109 -6.975 1.00 0.59 H new ATOM 0 HE3 LYS A 16 132.787 3.432 -8.434 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.076 4.114 -6.883 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.025 2.430 -7.098 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.699 3.086 -5.684 1.00 0.66 H new ATOM 269 N GLU A 17 132.907 -0.344 -2.219 1.00 0.32 N ATOM 270 CA GLU A 17 132.110 -0.534 -1.010 1.00 0.39 C ATOM 271 C GLU A 17 133.017 -0.812 0.186 1.00 0.32 C ATOM 272 O GLU A 17 133.007 -0.059 1.157 1.00 0.40 O ATOM 273 CB GLU A 17 131.111 -1.679 -1.200 1.00 0.51 C ATOM 274 CG GLU A 17 129.836 -1.518 -0.387 1.00 0.80 C ATOM 275 CD GLU A 17 129.288 -2.843 0.107 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.498 -3.470 -0.629 1.00 1.43 O ATOM 277 OE2 GLU A 17 129.651 -3.253 1.230 1.00 1.47 O ATOM 0 H GLU A 17 132.698 -1.003 -2.969 1.00 0.32 H new ATOM 0 HA GLU A 17 131.552 0.382 -0.817 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.851 -1.752 -2.256 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.591 -2.618 -0.925 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.033 -0.870 0.467 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.081 -1.021 -0.997 1.00 0.80 H new ATOM 284 N LEU A 18 133.787 -1.906 0.119 1.00 0.32 N ATOM 285 CA LEU A 18 134.696 -2.288 1.205 1.00 0.34 C ATOM 286 C LEU A 18 135.474 -1.087 1.746 1.00 0.33 C ATOM 287 O LEU A 18 135.637 -0.951 2.960 1.00 0.66 O ATOM 288 CB LEU A 18 135.681 -3.361 0.729 1.00 0.53 C ATOM 289 CG LEU A 18 135.189 -4.805 0.868 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.070 -5.749 0.061 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.160 -5.221 2.334 1.00 0.79 C ATOM 0 H LEU A 18 133.798 -2.543 -0.678 1.00 0.32 H new ATOM 0 HA LEU A 18 134.081 -2.687 2.012 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.919 -3.174 -0.318 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.609 -3.254 1.291 1.00 0.53 H new ATOM 0 HG LEU A 18 134.174 -4.862 0.475 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.706 -6.770 0.172 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.040 -5.465 -0.991 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.096 -5.689 0.424 1.00 0.86 H new ATOM 0 HD21 LEU A 18 134.808 -6.250 2.413 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.164 -5.148 2.753 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.488 -4.564 2.885 1.00 0.79 H new ATOM 303 N LEU A 19 135.938 -0.208 0.850 1.00 0.43 N ATOM 304 CA LEU A 19 136.683 0.985 1.258 1.00 0.44 C ATOM 305 C LEU A 19 135.789 1.937 2.054 1.00 0.30 C ATOM 306 O LEU A 19 136.246 2.581 3.000 1.00 0.45 O ATOM 307 CB LEU A 19 137.259 1.705 0.032 1.00 0.57 C ATOM 308 CG LEU A 19 138.787 1.682 -0.076 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.223 1.726 -1.534 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.396 2.841 0.703 1.00 0.94 C ATOM 0 H LEU A 19 135.811 -0.301 -0.158 1.00 0.43 H new ATOM 0 HA LEU A 19 137.506 0.667 1.897 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.840 1.252 -0.866 1.00 0.57 H new ATOM 0 HB3 LEU A 19 136.927 2.743 0.050 1.00 0.57 H new ATOM 0 HG LEU A 19 139.148 0.750 0.359 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.311 1.709 -1.589 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.819 0.861 -2.061 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.851 2.639 -1.998 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.482 2.808 0.615 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.028 3.784 0.299 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.115 2.761 1.753 1.00 0.94 H new ATOM 322 N ARG A 20 134.512 2.015 1.666 1.00 0.32 N ATOM 323 CA ARG A 20 133.548 2.877 2.348 1.00 0.50 C ATOM 324 C ARG A 20 133.378 2.438 3.801 1.00 0.40 C ATOM 325 O ARG A 20 133.580 3.236 4.717 1.00 0.47 O ATOM 326 CB ARG A 20 132.194 2.857 1.630 1.00 0.78 C ATOM 327 CG ARG A 20 132.230 3.466 0.237 1.00 0.89 C ATOM 328 CD ARG A 20 130.966 4.260 -0.061 1.00 0.98 C ATOM 329 NE ARG A 20 131.258 5.543 -0.702 1.00 1.06 N ATOM 330 CZ ARG A 20 130.324 6.367 -1.185 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.034 6.050 -1.103 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.683 7.514 -1.753 1.00 1.60 N ATOM 0 H ARG A 20 134.124 1.490 0.882 1.00 0.32 H new ATOM 0 HA ARG A 20 133.932 3.897 2.329 1.00 0.50 H new ATOM 0 HB2 ARG A 20 131.847 1.826 1.557 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.465 3.397 2.234 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.099 4.117 0.147 1.00 0.89 H new ATOM 0 HG3 ARG A 20 132.346 2.675 -0.504 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.314 3.673 -0.708 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.421 4.435 0.867 1.00 0.98 H new ATOM 0 HE ARG A 20 132.235 5.825 -0.785 1.00 1.06 H new ATOM 0 HH11 ARG A 20 128.751 5.172 -0.669 1.00 1.74 H new ATOM 0 HH12 ARG A 20 128.328 6.686 -1.475 1.00 1.74 H new ATOM 0 HH21 ARG A 20 131.670 7.763 -1.819 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.972 8.145 -2.123 1.00 1.60 H new ATOM 346 N ARG A 21 133.017 1.164 4.009 1.00 0.36 N ATOM 347 CA ARG A 21 132.836 0.623 5.357 1.00 0.37 C ATOM 348 C ARG A 21 134.122 0.747 6.170 1.00 0.35 C ATOM 349 O ARG A 21 134.081 1.052 7.363 1.00 0.49 O ATOM 350 CB ARG A 21 132.411 -0.845 5.290 1.00 0.47 C ATOM 351 CG ARG A 21 131.939 -1.406 6.622 1.00 0.71 C ATOM 352 CD ARG A 21 131.934 -2.926 6.613 1.00 0.94 C ATOM 353 NE ARG A 21 130.973 -3.480 7.567 1.00 0.95 N ATOM 354 CZ ARG A 21 130.356 -4.656 7.414 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.589 -5.409 6.341 1.00 2.03 N ATOM 356 NH2 ARG A 21 129.502 -5.080 8.339 1.00 1.50 N ATOM 0 H ARG A 21 132.846 0.493 3.260 1.00 0.36 H new ATOM 0 HA ARG A 21 132.054 1.201 5.848 1.00 0.37 H new ATOM 0 HB2 ARG A 21 131.610 -0.949 4.558 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.250 -1.441 4.932 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.589 -1.047 7.420 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.936 -1.039 6.838 1.00 0.71 H new ATOM 0 HD2 ARG A 21 131.695 -3.281 5.611 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.933 -3.293 6.851 1.00 0.94 H new ATOM 0 HE ARG A 21 130.760 -2.934 8.402 1.00 0.95 H new ATOM 0 HH11 ARG A 21 131.243 -5.090 5.626 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.113 -6.305 6.234 1.00 2.03 H new ATOM 0 HH21 ARG A 21 129.318 -4.509 9.164 1.00 1.50 H new ATOM 0 HH22 ARG A 21 129.030 -5.977 8.224 1.00 1.50 H new ATOM 370 N LYS A 22 135.262 0.530 5.510 1.00 0.33 N ATOM 371 CA LYS A 22 136.561 0.642 6.164 1.00 0.41 C ATOM 372 C LYS A 22 136.677 2.009 6.826 1.00 0.34 C ATOM 373 O LYS A 22 136.980 2.108 8.017 1.00 0.36 O ATOM 374 CB LYS A 22 137.693 0.442 5.152 1.00 0.56 C ATOM 375 CG LYS A 22 138.999 -0.014 5.780 1.00 0.77 C ATOM 376 CD LYS A 22 139.986 -0.494 4.727 1.00 0.95 C ATOM 377 CE LYS A 22 141.178 0.444 4.607 1.00 0.76 C ATOM 378 NZ LYS A 22 142.283 0.066 5.533 1.00 0.71 N ATOM 0 H LYS A 22 135.308 0.276 4.523 1.00 0.33 H new ATOM 0 HA LYS A 22 136.646 -0.135 6.924 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.380 -0.293 4.411 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.863 1.378 4.620 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.439 0.808 6.345 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.802 -0.818 6.489 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.334 -1.495 4.983 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.483 -0.569 3.763 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.546 0.433 3.581 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.859 1.464 4.821 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.075 0.731 5.419 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.941 0.101 6.514 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.606 -0.898 5.313 1.00 0.71 H new ATOM 392 N ASP A 23 136.413 3.061 6.048 1.00 0.34 N ATOM 393 CA ASP A 23 136.462 4.426 6.557 1.00 0.32 C ATOM 394 C ASP A 23 135.339 4.667 7.566 1.00 0.29 C ATOM 395 O ASP A 23 135.465 5.520 8.445 1.00 0.34 O ATOM 396 CB ASP A 23 136.353 5.429 5.404 1.00 0.37 C ATOM 397 CG ASP A 23 137.692 5.697 4.742 1.00 0.78 C ATOM 398 OD1 ASP A 23 138.060 4.942 3.817 1.00 1.17 O ATOM 399 OD2 ASP A 23 138.373 6.662 5.149 1.00 1.15 O ATOM 0 H ASP A 23 136.163 2.989 5.062 1.00 0.34 H new ATOM 0 HA ASP A 23 137.418 4.567 7.060 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.653 5.049 4.660 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.942 6.366 5.779 1.00 0.37 H new ATOM 404 N THR A 24 134.236 3.914 7.442 1.00 0.27 N ATOM 405 CA THR A 24 133.118 4.069 8.365 1.00 0.28 C ATOM 406 C THR A 24 133.550 3.654 9.769 1.00 0.27 C ATOM 407 O THR A 24 133.520 4.474 10.683 1.00 0.32 O ATOM 408 CB THR A 24 131.912 3.237 7.909 1.00 0.31 C ATOM 409 OG1 THR A 24 131.412 3.714 6.672 1.00 0.52 O ATOM 410 CG2 THR A 24 130.764 3.246 8.897 1.00 0.53 C ATOM 0 H THR A 24 134.101 3.204 6.722 1.00 0.27 H new ATOM 0 HA THR A 24 132.818 5.117 8.377 1.00 0.28 H new ATOM 0 HB THR A 24 132.286 2.217 7.821 1.00 0.31 H new ATOM 0 HG1 THR A 24 132.082 3.571 5.971 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.946 2.638 8.510 1.00 0.53 H new ATOM 0 HG22 THR A 24 131.101 2.837 9.850 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.418 4.269 9.043 1.00 0.53 H new ATOM 418 N HIS A 25 133.922 2.378 9.948 1.00 0.27 N ATOM 419 CA HIS A 25 134.335 1.854 11.257 1.00 0.31 C ATOM 420 C HIS A 25 135.220 2.824 12.044 1.00 0.33 C ATOM 421 O HIS A 25 134.930 3.120 13.200 1.00 0.43 O ATOM 422 CB HIS A 25 135.066 0.521 11.079 1.00 0.37 C ATOM 423 CG HIS A 25 134.353 -0.638 11.702 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.609 -1.079 12.982 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.382 -1.446 11.215 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.828 -2.108 13.256 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.074 -2.351 12.200 1.00 0.75 N ATOM 0 H HIS A 25 133.945 1.687 9.198 1.00 0.27 H new ATOM 0 HA HIS A 25 133.423 1.713 11.837 1.00 0.31 H new ATOM 0 HB2 HIS A 25 135.197 0.327 10.014 1.00 0.37 H new ATOM 0 HB3 HIS A 25 136.062 0.601 11.514 1.00 0.37 H new ATOM 0 HD2 HIS A 25 132.933 -1.389 10.234 1.00 0.92 H new ATOM 0 HE1 HIS A 25 133.809 -2.657 14.186 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.376 -3.091 12.128 1.00 0.75 H new ATOM 436 N ILE A 26 136.302 3.308 11.427 1.00 0.31 N ATOM 437 CA ILE A 26 137.217 4.237 12.104 1.00 0.35 C ATOM 438 C ILE A 26 136.473 5.460 12.661 1.00 0.34 C ATOM 439 O ILE A 26 136.918 6.075 13.631 1.00 0.46 O ATOM 440 CB ILE A 26 138.364 4.702 11.177 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.810 5.330 9.896 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.284 3.533 10.846 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.838 6.116 9.108 1.00 0.68 C ATOM 0 H ILE A 26 136.566 3.076 10.469 1.00 0.31 H new ATOM 0 HA ILE A 26 137.653 3.683 12.936 1.00 0.35 H new ATOM 0 HB ILE A 26 138.942 5.462 11.703 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.404 4.542 9.262 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.981 5.990 10.154 1.00 0.40 H new ATOM 0 HG21 ILE A 26 140.087 3.875 10.193 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.710 3.134 11.766 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.714 2.753 10.342 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.372 6.531 8.214 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.227 6.927 9.724 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.656 5.457 8.818 1.00 0.68 H new ATOM 455 N ARG A 27 135.331 5.793 12.050 1.00 0.29 N ATOM 456 CA ARG A 27 134.510 6.922 12.488 1.00 0.35 C ATOM 457 C ARG A 27 133.475 6.471 13.526 1.00 0.34 C ATOM 458 O ARG A 27 133.258 7.150 14.530 1.00 0.39 O ATOM 459 CB ARG A 27 133.807 7.562 11.287 1.00 0.44 C ATOM 460 CG ARG A 27 133.099 8.868 11.614 1.00 0.52 C ATOM 461 CD ARG A 27 131.869 9.069 10.741 1.00 0.81 C ATOM 462 NE ARG A 27 130.729 9.585 11.500 1.00 0.91 N ATOM 463 CZ ARG A 27 129.662 10.168 10.945 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.589 10.328 9.625 1.00 1.19 N ATOM 465 NH2 ARG A 27 128.666 10.594 11.713 1.00 1.68 N ATOM 0 H ARG A 27 134.954 5.292 11.246 1.00 0.29 H new ATOM 0 HA ARG A 27 135.163 7.661 12.952 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.542 7.744 10.503 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.080 6.856 10.885 1.00 0.44 H new ATOM 0 HG2 ARG A 27 132.806 8.871 12.664 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.787 9.701 11.473 1.00 0.52 H new ATOM 0 HD2 ARG A 27 132.108 9.761 9.933 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.596 8.121 10.278 1.00 0.81 H new ATOM 0 HE ARG A 27 130.750 9.494 12.516 1.00 0.91 H new ATOM 0 HH11 ARG A 27 130.351 10.005 9.029 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.771 10.774 9.210 1.00 1.19 H new ATOM 0 HH21 ARG A 27 128.716 10.476 12.725 1.00 1.68 H new ATOM 0 HH22 ARG A 27 127.851 11.039 11.291 1.00 1.68 H new ATOM 479 N GLU A 28 132.845 5.317 13.276 1.00 0.33 N ATOM 480 CA GLU A 28 131.837 4.764 14.187 1.00 0.38 C ATOM 481 C GLU A 28 132.479 4.343 15.511 1.00 0.37 C ATOM 482 O GLU A 28 131.910 4.565 16.582 1.00 0.47 O ATOM 483 CB GLU A 28 131.121 3.577 13.522 1.00 0.48 C ATOM 484 CG GLU A 28 130.725 2.460 14.480 1.00 0.81 C ATOM 485 CD GLU A 28 129.986 1.331 13.787 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.651 0.494 13.140 1.00 1.66 O ATOM 487 OE2 GLU A 28 128.742 1.285 13.890 1.00 1.85 O ATOM 0 H GLU A 28 133.017 4.747 12.448 1.00 0.33 H new ATOM 0 HA GLU A 28 131.099 5.536 14.404 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.225 3.944 13.022 1.00 0.48 H new ATOM 0 HB3 GLU A 28 131.770 3.163 12.750 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.620 2.063 14.959 1.00 0.81 H new ATOM 0 HG3 GLU A 28 130.096 2.870 15.270 1.00 0.81 H new ATOM 494 N LEU A 29 133.678 3.760 15.429 1.00 0.34 N ATOM 495 CA LEU A 29 134.414 3.337 16.618 1.00 0.38 C ATOM 496 C LEU A 29 135.098 4.536 17.289 1.00 0.42 C ATOM 497 O LEU A 29 135.751 4.388 18.322 1.00 0.80 O ATOM 498 CB LEU A 29 135.447 2.262 16.260 1.00 0.48 C ATOM 499 CG LEU A 29 135.344 0.971 17.078 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.724 -0.143 16.247 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.714 0.554 17.596 1.00 0.58 C ATOM 0 H LEU A 29 134.158 3.571 14.549 1.00 0.34 H new ATOM 0 HA LEU A 29 133.702 2.909 17.324 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.342 2.015 15.204 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.445 2.680 16.392 1.00 0.48 H new ATOM 0 HG LEU A 29 134.697 1.160 17.934 1.00 0.49 H new ATOM 0 HD11 LEU A 29 134.660 -1.051 16.846 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.724 0.153 15.929 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.343 -0.330 15.370 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.620 -0.365 18.175 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.386 0.386 16.754 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.118 1.342 18.231 1.00 0.58 H new ATOM 513 N GLU A 30 134.919 5.728 16.705 1.00 0.42 N ATOM 514 CA GLU A 30 135.486 6.954 17.252 1.00 0.46 C ATOM 515 C GLU A 30 134.546 7.534 18.307 1.00 0.46 C ATOM 516 O GLU A 30 134.992 8.169 19.264 1.00 0.61 O ATOM 517 CB GLU A 30 135.735 7.979 16.140 1.00 0.51 C ATOM 518 CG GLU A 30 137.148 8.541 16.138 1.00 0.57 C ATOM 519 CD GLU A 30 137.406 9.477 17.305 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.790 8.985 18.388 1.00 1.33 O ATOM 521 OE2 GLU A 30 137.222 10.700 17.136 1.00 1.24 O ATOM 0 H GLU A 30 134.382 5.863 15.849 1.00 0.42 H new ATOM 0 HA GLU A 30 136.443 6.719 17.718 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.537 7.512 15.175 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.026 8.800 16.248 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.862 7.718 16.172 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.321 9.075 15.204 1.00 0.57 H new ATOM 528 N ASP A 31 133.240 7.290 18.131 1.00 0.43 N ATOM 529 CA ASP A 31 132.239 7.760 19.076 1.00 0.58 C ATOM 530 C ASP A 31 132.364 6.956 20.347 1.00 0.59 C ATOM 531 O ASP A 31 132.660 7.510 21.411 1.00 0.78 O ATOM 532 CB ASP A 31 130.831 7.638 18.494 1.00 0.71 C ATOM 533 CG ASP A 31 129.792 8.357 19.335 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.561 9.560 19.093 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.211 7.716 20.237 1.00 1.65 O ATOM 0 H ASP A 31 132.860 6.769 17.340 1.00 0.43 H new ATOM 0 HA ASP A 31 132.408 8.816 19.288 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.822 8.046 17.483 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.564 6.584 18.414 1.00 0.71 H new ATOM 540 N TYR A 32 132.114 5.647 20.268 1.00 0.51 N ATOM 541 CA TYR A 32 132.192 4.750 21.433 1.00 0.56 C ATOM 542 C TYR A 32 133.385 5.064 22.327 1.00 0.55 C ATOM 543 O TYR A 32 133.263 5.052 23.552 1.00 0.64 O ATOM 544 CB TYR A 32 132.284 3.286 20.945 1.00 0.61 C ATOM 545 CG TYR A 32 130.975 2.721 20.424 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.065 2.119 21.284 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.652 2.791 19.073 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.872 1.604 20.814 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.460 2.279 18.596 1.00 1.19 C ATOM 550 CZ TYR A 32 128.573 1.687 19.470 1.00 1.23 C ATOM 551 OH TYR A 32 127.385 1.176 19.000 1.00 1.55 O ATOM 0 H TYR A 32 131.853 5.177 19.401 1.00 0.51 H new ATOM 0 HA TYR A 32 131.290 4.900 22.027 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.033 3.224 20.156 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.635 2.662 21.767 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.294 2.052 22.337 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.344 3.253 18.385 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.176 1.138 21.496 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.225 2.342 17.544 1.00 1.19 H new ATOM 0 HH TYR A 32 127.329 1.316 18.032 1.00 1.55 H new ATOM 561 N ILE A 33 134.533 5.353 21.710 1.00 0.53 N ATOM 562 CA ILE A 33 135.742 5.685 22.459 1.00 0.62 C ATOM 563 C ILE A 33 135.573 7.015 23.195 1.00 0.58 C ATOM 564 O ILE A 33 135.893 7.116 24.380 1.00 0.77 O ATOM 565 CB ILE A 33 136.984 5.760 21.541 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.305 4.376 20.968 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.183 6.314 22.303 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.349 4.399 19.871 1.00 0.85 C ATOM 0 H ILE A 33 134.648 5.363 20.697 1.00 0.53 H new ATOM 0 HA ILE A 33 135.898 4.885 23.183 1.00 0.62 H new ATOM 0 HB ILE A 33 136.763 6.436 20.715 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.652 3.730 21.774 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.389 3.933 20.577 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.047 6.359 21.640 1.00 0.94 H new ATOM 0 HG22 ILE A 33 137.952 7.315 22.666 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.408 5.664 23.149 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.524 3.384 19.514 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.996 5.018 19.046 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.279 4.812 20.262 1.00 0.85 H new ATOM 580 N ASP A 34 135.082 8.036 22.478 1.00 0.49 N ATOM 581 CA ASP A 34 134.874 9.373 23.048 1.00 0.54 C ATOM 582 C ASP A 34 134.255 9.318 24.447 1.00 0.44 C ATOM 583 O ASP A 34 134.586 10.137 25.291 1.00 0.47 O ATOM 584 CB ASP A 34 133.991 10.215 22.118 1.00 0.75 C ATOM 585 CG ASP A 34 134.780 11.283 21.386 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.950 12.386 21.948 1.00 1.49 O ATOM 587 OD2 ASP A 34 135.228 11.017 20.250 1.00 1.42 O ATOM 0 H ASP A 34 134.820 7.959 21.495 1.00 0.49 H new ATOM 0 HA ASP A 34 135.855 9.838 23.142 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.507 9.562 21.392 1.00 0.75 H new ATOM 0 HB3 ASP A 34 133.200 10.686 22.701 1.00 0.75 H new ATOM 592 N ASN A 35 133.355 8.355 24.677 1.00 0.53 N ATOM 593 CA ASN A 35 132.687 8.192 25.977 1.00 0.57 C ATOM 594 C ASN A 35 133.632 8.517 27.139 1.00 0.47 C ATOM 595 O ASN A 35 133.236 9.176 28.102 1.00 0.58 O ATOM 596 CB ASN A 35 132.146 6.768 26.127 1.00 0.74 C ATOM 597 CG ASN A 35 130.722 6.633 25.618 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.764 6.786 26.376 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.574 6.347 24.328 1.00 1.32 N ATOM 0 H ASN A 35 133.070 7.672 23.975 1.00 0.53 H new ATOM 0 HA ASN A 35 131.856 8.896 26.009 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.791 6.078 25.582 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.183 6.477 27.177 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.639 6.246 23.932 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.395 6.228 23.734 1.00 1.32 H new ATOM 606 N LEU A 36 134.888 8.070 27.030 1.00 0.42 N ATOM 607 CA LEU A 36 135.895 8.336 28.059 1.00 0.47 C ATOM 608 C LEU A 36 136.182 9.837 28.134 1.00 0.42 C ATOM 609 O LEU A 36 136.108 10.441 29.206 1.00 0.53 O ATOM 610 CB LEU A 36 137.190 7.568 27.762 1.00 0.66 C ATOM 611 CG LEU A 36 137.010 6.089 27.401 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.242 5.562 26.680 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.723 5.264 28.648 1.00 1.66 C ATOM 0 H LEU A 36 135.230 7.523 26.240 1.00 0.42 H new ATOM 0 HA LEU A 36 135.506 7.997 29.019 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.707 8.065 26.941 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.840 7.635 28.634 1.00 0.66 H new ATOM 0 HG LEU A 36 136.156 6.000 26.730 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.096 4.511 26.432 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.400 6.133 25.765 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.114 5.665 27.326 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.598 4.217 28.371 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.555 5.358 29.346 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.810 5.625 29.121 1.00 1.66 H new ATOM 625 N LEU A 37 136.487 10.432 26.977 1.00 0.36 N ATOM 626 CA LEU A 37 136.761 11.864 26.879 1.00 0.40 C ATOM 627 C LEU A 37 135.646 12.568 26.091 1.00 0.32 C ATOM 628 O LEU A 37 135.888 13.164 25.038 1.00 0.42 O ATOM 629 CB LEU A 37 138.125 12.103 26.216 1.00 0.56 C ATOM 630 CG LEU A 37 138.308 11.453 24.839 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.872 12.457 23.843 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.212 10.231 24.939 1.00 0.63 C ATOM 0 H LEU A 37 136.550 9.936 26.088 1.00 0.36 H new ATOM 0 HA LEU A 37 136.790 12.283 27.885 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.278 13.177 26.115 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.904 11.731 26.881 1.00 0.56 H new ATOM 0 HG LEU A 37 137.331 11.128 24.481 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.995 11.977 22.872 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.186 13.299 23.747 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.839 12.815 24.195 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.330 9.784 23.952 1.00 0.63 H new ATOM 0 HD22 LEU A 37 140.188 10.531 25.320 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.766 9.503 25.616 1.00 0.63 H new ATOM 644 N VAL A 38 134.418 12.465 26.609 1.00 0.29 N ATOM 645 CA VAL A 38 133.235 13.062 25.981 1.00 0.41 C ATOM 646 C VAL A 38 132.115 13.250 27.015 1.00 0.38 C ATOM 647 O VAL A 38 132.294 12.933 28.194 1.00 0.61 O ATOM 648 CB VAL A 38 132.731 12.218 24.782 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.708 11.179 25.222 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.159 13.115 23.693 1.00 0.99 C ATOM 0 H VAL A 38 134.216 11.966 27.475 1.00 0.29 H new ATOM 0 HA VAL A 38 133.527 14.039 25.594 1.00 0.41 H new ATOM 0 HB VAL A 38 133.587 11.683 24.371 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.376 10.606 24.356 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.162 10.507 25.950 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.852 11.680 25.675 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.812 12.502 22.862 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.324 13.688 24.095 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.932 13.798 23.341 1.00 0.99 H new ATOM 660 N ARG A 39 130.954 13.742 26.572 1.00 0.44 N ATOM 661 CA ARG A 39 129.813 13.934 27.467 1.00 0.47 C ATOM 662 C ARG A 39 129.162 12.586 27.783 1.00 0.53 C ATOM 663 O ARG A 39 128.569 11.954 26.905 1.00 0.86 O ATOM 664 CB ARG A 39 128.789 14.887 26.832 1.00 0.59 C ATOM 665 CG ARG A 39 127.399 14.819 27.456 1.00 0.75 C ATOM 666 CD ARG A 39 127.301 15.676 28.708 1.00 0.97 C ATOM 667 NE ARG A 39 126.797 17.019 28.415 1.00 0.93 N ATOM 668 CZ ARG A 39 127.280 18.142 28.957 1.00 1.00 C ATOM 669 NH1 ARG A 39 128.275 18.101 29.841 1.00 1.27 N ATOM 670 NH2 ARG A 39 126.759 19.316 28.614 1.00 1.48 N ATOM 0 H ARG A 39 130.782 14.013 25.604 1.00 0.44 H new ATOM 0 HA ARG A 39 130.167 14.379 28.397 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.161 15.908 26.913 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.709 14.660 25.769 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.657 15.151 26.729 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.162 13.784 27.704 1.00 0.75 H new ATOM 0 HD2 ARG A 39 126.643 15.191 29.429 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.284 15.751 29.174 1.00 0.97 H new ATOM 0 HE ARG A 39 126.026 17.104 27.753 1.00 0.93 H new ATOM 0 HH11 ARG A 39 128.679 17.205 30.113 1.00 1.27 H new ATOM 0 HH12 ARG A 39 128.633 18.966 30.246 1.00 1.27 H new ATOM 0 HH21 ARG A 39 125.994 19.357 27.940 1.00 1.48 H new ATOM 0 HH22 ARG A 39 127.124 20.175 29.025 1.00 1.48 H new ATOM 684 N VAL A 40 129.281 12.148 29.037 1.00 0.46 N ATOM 685 CA VAL A 40 128.705 10.870 29.461 1.00 0.53 C ATOM 686 C VAL A 40 127.256 11.036 29.916 1.00 0.53 C ATOM 687 O VAL A 40 126.875 12.086 30.439 1.00 0.66 O ATOM 688 CB VAL A 40 129.521 10.216 30.601 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.857 9.708 30.081 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.724 11.186 31.759 1.00 0.78 C ATOM 0 H VAL A 40 129.769 12.656 29.775 1.00 0.46 H new ATOM 0 HA VAL A 40 128.737 10.217 28.589 1.00 0.53 H new ATOM 0 HB VAL A 40 128.953 9.365 30.976 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.416 9.252 30.898 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.686 8.967 29.300 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.429 10.541 29.671 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.301 10.699 32.545 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.262 12.066 31.407 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.754 11.488 32.155 1.00 0.78 H new ATOM 700 N MET A 41 126.455 9.989 29.713 1.00 0.53 N ATOM 701 CA MET A 41 125.045 10.006 30.099 1.00 0.60 C ATOM 702 C MET A 41 124.717 8.831 31.015 1.00 0.86 C ATOM 703 O MET A 41 125.092 8.821 32.188 1.00 1.20 O ATOM 704 CB MET A 41 124.148 9.970 28.857 1.00 0.75 C ATOM 705 CG MET A 41 124.447 8.814 27.912 1.00 0.56 C ATOM 706 SD MET A 41 123.083 8.468 26.784 1.00 0.67 S ATOM 707 CE MET A 41 123.221 9.847 25.649 1.00 0.54 C ATOM 0 H MET A 41 126.761 9.116 29.282 1.00 0.53 H new ATOM 0 HA MET A 41 124.856 10.931 30.644 1.00 0.60 H new ATOM 0 HB2 MET A 41 123.107 9.907 29.175 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.259 10.908 28.314 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.342 9.045 27.334 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.666 7.920 28.496 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.442 9.773 24.890 1.00 0.54 H new ATOM 0 HE2 MET A 41 123.106 10.782 26.197 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.199 9.826 25.168 1.00 0.54 H new ATOM 718 N GLY B 1 134.521 4.584 -27.737 1.00 0.61 N ATOM 719 CA GLY B 1 135.923 4.205 -28.070 1.00 0.61 C ATOM 720 C GLY B 1 136.370 2.941 -27.358 1.00 0.52 C ATOM 721 O GLY B 1 136.140 1.834 -27.848 1.00 0.60 O ATOM 0 H1 GLY B 1 134.265 5.453 -28.249 1.00 0.61 H new ATOM 0 H2 GLY B 1 133.878 3.816 -28.016 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.440 4.748 -26.713 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.011 4.062 -29.147 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.590 5.024 -27.802 1.00 0.61 H new ATOM 727 N SER B 2 137.010 3.110 -26.201 1.00 0.50 N ATOM 728 CA SER B 2 137.496 1.977 -25.413 1.00 0.49 C ATOM 729 C SER B 2 136.895 1.985 -24.012 1.00 0.47 C ATOM 730 O SER B 2 137.600 1.782 -23.023 1.00 0.63 O ATOM 731 CB SER B 2 139.027 2.002 -25.335 1.00 0.55 C ATOM 732 OG SER B 2 139.606 1.977 -26.629 1.00 0.67 O ATOM 0 H SER B 2 137.204 4.022 -25.788 1.00 0.50 H new ATOM 0 HA SER B 2 137.182 1.059 -25.910 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.352 2.897 -24.805 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.379 1.146 -24.760 1.00 0.55 H new ATOM 0 HG SER B 2 140.583 1.995 -26.551 1.00 0.67 H new ATOM 738 N LEU B 3 135.577 2.181 -23.937 1.00 0.48 N ATOM 739 CA LEU B 3 134.872 2.168 -22.658 1.00 0.55 C ATOM 740 C LEU B 3 134.261 0.782 -22.437 1.00 0.65 C ATOM 741 O LEU B 3 133.137 0.643 -21.949 1.00 1.02 O ATOM 742 CB LEU B 3 133.789 3.254 -22.632 1.00 0.62 C ATOM 743 CG LEU B 3 134.162 4.526 -21.863 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.258 5.293 -22.590 1.00 0.61 C ATOM 745 CD2 LEU B 3 132.935 5.405 -21.657 1.00 0.76 C ATOM 0 H LEU B 3 134.979 2.350 -24.746 1.00 0.48 H new ATOM 0 HA LEU B 3 135.574 2.381 -21.852 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.546 3.527 -23.659 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.885 2.833 -22.191 1.00 0.62 H new ATOM 0 HG LEU B 3 134.543 4.235 -20.884 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.508 6.192 -22.027 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.144 4.664 -22.680 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.909 5.573 -23.584 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.219 6.304 -21.109 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.522 5.686 -22.626 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.185 4.855 -21.088 1.00 0.76 H new ATOM 757 N THR B 4 135.028 -0.239 -22.825 1.00 0.46 N ATOM 758 CA THR B 4 134.609 -1.629 -22.710 1.00 0.55 C ATOM 759 C THR B 4 135.421 -2.352 -21.634 1.00 0.42 C ATOM 760 O THR B 4 135.997 -1.714 -20.750 1.00 0.43 O ATOM 761 CB THR B 4 134.762 -2.323 -24.069 1.00 0.72 C ATOM 762 OG1 THR B 4 136.105 -2.259 -24.518 1.00 0.70 O ATOM 763 CG2 THR B 4 133.889 -1.720 -25.149 1.00 0.90 C ATOM 0 H THR B 4 135.958 -0.120 -23.228 1.00 0.46 H new ATOM 0 HA THR B 4 133.561 -1.662 -22.411 1.00 0.55 H new ATOM 0 HB THR B 4 134.450 -3.354 -23.903 1.00 0.72 H new ATOM 0 HG1 THR B 4 136.182 -2.709 -25.385 1.00 0.70 H new ATOM 0 HG21 THR B 4 134.045 -2.257 -26.085 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.842 -1.798 -24.856 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.151 -0.671 -25.285 1.00 0.90 H new ATOM 771 N TYR B 5 135.449 -3.685 -21.700 1.00 0.50 N ATOM 772 CA TYR B 5 136.174 -4.503 -20.723 1.00 0.45 C ATOM 773 C TYR B 5 137.666 -4.156 -20.656 1.00 0.41 C ATOM 774 O TYR B 5 138.308 -4.391 -19.631 1.00 0.46 O ATOM 775 CB TYR B 5 135.992 -5.991 -21.050 1.00 0.57 C ATOM 776 CG TYR B 5 136.800 -6.924 -20.172 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.527 -7.047 -18.815 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.834 -7.684 -20.704 1.00 0.80 C ATOM 779 CE1 TYR B 5 137.261 -7.900 -18.014 1.00 0.69 C ATOM 780 CE2 TYR B 5 138.572 -8.539 -19.910 1.00 0.92 C ATOM 781 CZ TYR B 5 138.282 -8.644 -18.566 1.00 0.67 C ATOM 782 OH TYR B 5 139.015 -9.496 -17.772 1.00 0.84 O ATOM 0 H TYR B 5 134.975 -4.224 -22.424 1.00 0.50 H new ATOM 0 HA TYR B 5 135.752 -4.285 -19.742 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.936 -6.245 -20.956 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.269 -6.159 -22.091 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.728 -6.466 -18.379 1.00 0.69 H new ATOM 0 HD2 TYR B 5 138.064 -7.605 -21.756 1.00 0.80 H new ATOM 0 HE1 TYR B 5 137.036 -7.984 -16.961 1.00 0.69 H new ATOM 0 HE2 TYR B 5 139.373 -9.123 -20.339 1.00 0.92 H new ATOM 0 HH TYR B 5 139.695 -9.946 -18.316 1.00 0.84 H new ATOM 792 N GLU B 6 138.218 -3.584 -21.730 1.00 0.49 N ATOM 793 CA GLU B 6 139.630 -3.203 -21.743 1.00 0.50 C ATOM 794 C GLU B 6 139.868 -1.930 -20.919 1.00 0.38 C ATOM 795 O GLU B 6 141.014 -1.550 -20.673 1.00 0.44 O ATOM 796 CB GLU B 6 140.111 -2.991 -23.182 1.00 0.62 C ATOM 797 CG GLU B 6 141.528 -3.484 -23.428 1.00 0.68 C ATOM 798 CD GLU B 6 142.086 -3.016 -24.759 1.00 0.83 C ATOM 799 OE1 GLU B 6 142.619 -1.888 -24.816 1.00 1.01 O ATOM 800 OE2 GLU B 6 141.991 -3.779 -25.743 1.00 1.14 O ATOM 0 H GLU B 6 137.714 -3.377 -22.592 1.00 0.49 H new ATOM 0 HA GLU B 6 140.200 -4.015 -21.291 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.433 -3.506 -23.863 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.058 -1.929 -23.421 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.175 -3.134 -22.624 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.540 -4.573 -23.396 1.00 0.68 H new ATOM 807 N GLU B 7 138.779 -1.286 -20.482 1.00 0.32 N ATOM 808 CA GLU B 7 138.866 -0.071 -19.676 1.00 0.29 C ATOM 809 C GLU B 7 138.674 -0.375 -18.189 1.00 0.27 C ATOM 810 O GLU B 7 139.280 0.277 -17.338 1.00 0.43 O ATOM 811 CB GLU B 7 137.822 0.947 -20.136 1.00 0.43 C ATOM 812 CG GLU B 7 138.268 2.393 -19.978 1.00 0.57 C ATOM 813 CD GLU B 7 137.903 2.974 -18.624 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.707 3.263 -18.404 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.812 3.141 -17.784 1.00 0.80 O ATOM 0 H GLU B 7 137.825 -1.591 -20.676 1.00 0.32 H new ATOM 0 HA GLU B 7 139.863 0.348 -19.813 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.583 0.762 -21.183 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.904 0.795 -19.568 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.348 2.453 -20.115 1.00 0.57 H new ATOM 0 HG3 GLU B 7 137.813 2.997 -20.763 1.00 0.57 H new ATOM 822 N VAL B 8 137.829 -1.366 -17.880 1.00 0.35 N ATOM 823 CA VAL B 8 137.565 -1.744 -16.493 1.00 0.37 C ATOM 824 C VAL B 8 138.780 -2.425 -15.859 1.00 0.28 C ATOM 825 O VAL B 8 139.055 -2.230 -14.675 1.00 0.40 O ATOM 826 CB VAL B 8 136.330 -2.668 -16.380 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.656 -4.085 -16.833 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.789 -2.666 -14.957 1.00 0.78 C ATOM 0 H VAL B 8 137.320 -1.917 -18.571 1.00 0.35 H new ATOM 0 HA VAL B 8 137.358 -0.822 -15.950 1.00 0.37 H new ATOM 0 HB VAL B 8 135.558 -2.278 -17.043 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.767 -4.710 -16.741 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.982 -4.069 -17.873 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.452 -4.492 -16.209 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.920 -3.322 -14.897 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.560 -3.022 -14.274 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.499 -1.653 -14.680 1.00 0.78 H new ATOM 838 N LEU B 9 139.506 -3.219 -16.655 1.00 0.35 N ATOM 839 CA LEU B 9 140.695 -3.922 -16.168 1.00 0.49 C ATOM 840 C LEU B 9 141.703 -2.944 -15.560 1.00 0.52 C ATOM 841 O LEU B 9 142.257 -3.205 -14.490 1.00 0.74 O ATOM 842 CB LEU B 9 141.353 -4.715 -17.302 1.00 0.65 C ATOM 843 CG LEU B 9 140.678 -6.046 -17.642 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.193 -6.582 -18.970 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.905 -7.062 -16.529 1.00 0.76 C ATOM 0 H LEU B 9 139.290 -3.389 -17.637 1.00 0.35 H new ATOM 0 HA LEU B 9 140.377 -4.615 -15.390 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.368 -4.094 -18.198 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.391 -4.910 -17.033 1.00 0.65 H new ATOM 0 HG LEU B 9 139.606 -5.874 -17.734 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.702 -7.529 -19.195 1.00 0.85 H new ATOM 0 HD12 LEU B 9 140.977 -5.864 -19.761 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.270 -6.738 -18.906 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.418 -8.002 -16.789 1.00 0.76 H new ATOM 0 HD22 LEU B 9 141.974 -7.231 -16.403 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.486 -6.681 -15.598 1.00 0.76 H new ATOM 857 N GLN B 10 141.930 -1.816 -16.243 1.00 0.41 N ATOM 858 CA GLN B 10 142.866 -0.796 -15.763 1.00 0.48 C ATOM 859 C GLN B 10 142.371 -0.146 -14.466 1.00 0.42 C ATOM 860 O GLN B 10 143.166 0.402 -13.701 1.00 0.48 O ATOM 861 CB GLN B 10 143.083 0.275 -16.836 1.00 0.58 C ATOM 862 CG GLN B 10 143.968 -0.185 -17.986 1.00 0.66 C ATOM 863 CD GLN B 10 145.409 -0.408 -17.562 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.832 -1.542 -17.339 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.172 0.675 -17.449 1.00 0.83 N ATOM 0 H GLN B 10 141.478 -1.588 -17.129 1.00 0.41 H new ATOM 0 HA GLN B 10 143.814 -1.290 -15.552 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.115 0.581 -17.233 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.530 1.155 -16.374 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.568 -1.111 -18.400 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.939 0.559 -18.782 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.781 1.597 -17.643 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.148 0.584 -17.168 1.00 0.83 H new ATOM 874 N GLU B 11 141.062 -0.229 -14.214 1.00 0.40 N ATOM 875 CA GLU B 11 140.471 0.329 -12.998 1.00 0.42 C ATOM 876 C GLU B 11 140.598 -0.673 -11.849 1.00 0.37 C ATOM 877 O GLU B 11 140.810 -0.292 -10.698 1.00 0.54 O ATOM 878 CB GLU B 11 138.998 0.681 -13.230 1.00 0.48 C ATOM 879 CG GLU B 11 138.782 1.751 -14.290 1.00 0.62 C ATOM 880 CD GLU B 11 137.331 1.865 -14.721 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.502 2.320 -13.905 1.00 1.53 O ATOM 882 OE2 GLU B 11 137.023 1.500 -15.875 1.00 1.61 O ATOM 0 H GLU B 11 140.392 -0.678 -14.838 1.00 0.40 H new ATOM 0 HA GLU B 11 141.007 1.241 -12.736 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.460 -0.221 -13.523 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.563 1.021 -12.290 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.118 2.713 -13.903 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.398 1.524 -15.160 1.00 0.62 H new ATOM 889 N LEU B 12 140.488 -1.961 -12.191 1.00 0.32 N ATOM 890 CA LEU B 12 140.610 -3.035 -11.210 1.00 0.30 C ATOM 891 C LEU B 12 141.989 -2.988 -10.555 1.00 0.28 C ATOM 892 O LEU B 12 142.100 -2.833 -9.336 1.00 0.36 O ATOM 893 CB LEU B 12 140.384 -4.403 -11.868 1.00 0.32 C ATOM 894 CG LEU B 12 139.695 -5.452 -10.986 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.559 -5.797 -9.780 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.323 -4.963 -10.540 1.00 0.54 C ATOM 0 H LEU B 12 140.314 -2.282 -13.144 1.00 0.32 H new ATOM 0 HA LEU B 12 139.846 -2.893 -10.446 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.786 -4.260 -12.768 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.349 -4.798 -12.186 1.00 0.32 H new ATOM 0 HG LEU B 12 139.560 -6.357 -11.578 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.050 -6.543 -9.169 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.515 -6.197 -10.119 1.00 0.62 H new ATOM 0 HD13 LEU B 12 140.732 -4.899 -9.187 1.00 0.62 H new ATOM 0 HD21 LEU B 12 137.852 -5.722 -9.916 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.433 -4.041 -9.969 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.701 -4.776 -11.415 1.00 0.54 H new ATOM 908 N VAL B 13 143.037 -3.113 -11.375 1.00 0.25 N ATOM 909 CA VAL B 13 144.411 -3.076 -10.880 1.00 0.26 C ATOM 910 C VAL B 13 144.682 -1.795 -10.086 1.00 0.22 C ATOM 911 O VAL B 13 145.174 -1.863 -8.961 1.00 0.26 O ATOM 912 CB VAL B 13 145.447 -3.220 -12.025 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.299 -2.110 -13.058 1.00 0.62 C ATOM 914 CG2 VAL B 13 146.865 -3.253 -11.467 1.00 0.52 C ATOM 0 H VAL B 13 142.957 -3.241 -12.384 1.00 0.25 H new ATOM 0 HA VAL B 13 144.525 -3.932 -10.215 1.00 0.26 H new ATOM 0 HB VAL B 13 145.252 -4.166 -12.529 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.041 -2.244 -13.845 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.300 -2.148 -13.492 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.450 -1.143 -12.577 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.576 -3.354 -12.287 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.065 -2.328 -10.926 1.00 0.52 H new ATOM 0 HG23 VAL B 13 146.970 -4.100 -10.789 1.00 0.52 H new ATOM 924 N LYS B 14 144.379 -0.629 -10.674 1.00 0.24 N ATOM 925 CA LYS B 14 144.607 0.662 -10.015 1.00 0.25 C ATOM 926 C LYS B 14 144.055 0.692 -8.589 1.00 0.22 C ATOM 927 O LYS B 14 144.687 1.248 -7.692 1.00 0.29 O ATOM 928 CB LYS B 14 143.977 1.793 -10.836 1.00 0.34 C ATOM 929 CG LYS B 14 144.932 2.426 -11.836 1.00 0.87 C ATOM 930 CD LYS B 14 144.215 3.409 -12.749 1.00 0.75 C ATOM 931 CE LYS B 14 144.336 4.838 -12.240 1.00 0.70 C ATOM 932 NZ LYS B 14 144.452 5.822 -13.353 1.00 0.72 N ATOM 0 H LYS B 14 143.974 -0.555 -11.607 1.00 0.24 H new ATOM 0 HA LYS B 14 145.686 0.805 -9.954 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.111 1.403 -11.371 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.612 2.564 -10.157 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.731 2.941 -11.302 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.401 1.646 -12.436 1.00 0.87 H new ATOM 0 HD2 LYS B 14 144.632 3.344 -13.754 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.162 3.136 -12.823 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.465 5.081 -11.632 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.209 4.919 -11.593 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.532 6.782 -12.961 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.298 5.608 -13.919 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.607 5.764 -13.957 1.00 0.72 H new ATOM 946 N HIS B 15 142.880 0.092 -8.381 1.00 0.24 N ATOM 947 CA HIS B 15 142.263 0.058 -7.054 1.00 0.27 C ATOM 948 C HIS B 15 143.059 -0.838 -6.107 1.00 0.25 C ATOM 949 O HIS B 15 143.193 -0.536 -4.920 1.00 0.45 O ATOM 950 CB HIS B 15 140.815 -0.430 -7.145 1.00 0.33 C ATOM 951 CG HIS B 15 139.845 0.657 -7.488 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.746 0.960 -6.712 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.820 1.524 -8.528 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.087 1.965 -7.261 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.718 2.325 -8.363 1.00 0.76 N ATOM 0 H HIS B 15 142.340 -0.374 -9.110 1.00 0.24 H new ATOM 0 HA HIS B 15 142.267 1.073 -6.656 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.750 -1.216 -7.897 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.529 -0.876 -6.193 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.534 1.575 -9.337 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.185 2.415 -6.874 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.433 3.077 -8.990 1.00 0.76 H new ATOM 964 N LYS B 16 143.612 -1.923 -6.651 1.00 0.21 N ATOM 965 CA LYS B 16 144.423 -2.849 -5.868 1.00 0.27 C ATOM 966 C LYS B 16 145.778 -2.223 -5.546 1.00 0.36 C ATOM 967 O LYS B 16 146.215 -2.233 -4.394 1.00 0.69 O ATOM 968 CB LYS B 16 144.618 -4.166 -6.623 1.00 0.35 C ATOM 969 CG LYS B 16 143.494 -5.164 -6.402 1.00 0.46 C ATOM 970 CD LYS B 16 143.352 -6.121 -7.577 1.00 0.49 C ATOM 971 CE LYS B 16 144.061 -7.442 -7.315 1.00 0.53 C ATOM 972 NZ LYS B 16 145.510 -7.379 -7.656 1.00 0.61 N ATOM 0 H LYS B 16 143.511 -2.180 -7.633 1.00 0.21 H new ATOM 0 HA LYS B 16 143.900 -3.059 -4.935 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.702 -3.955 -7.689 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.560 -4.617 -6.312 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.685 -5.732 -5.491 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.556 -4.629 -6.253 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.295 -6.307 -7.769 1.00 0.49 H new ATOM 0 HD3 LYS B 16 143.763 -5.659 -8.475 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.948 -7.711 -6.265 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.586 -8.230 -7.899 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.953 -8.300 -7.462 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.620 -7.148 -8.664 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.971 -6.645 -7.080 1.00 0.61 H new ATOM 986 N GLU B 17 146.433 -1.670 -6.573 1.00 0.30 N ATOM 987 CA GLU B 17 147.734 -1.029 -6.401 1.00 0.38 C ATOM 988 C GLU B 17 147.631 0.124 -5.405 1.00 0.32 C ATOM 989 O GLU B 17 148.301 0.111 -4.376 1.00 0.40 O ATOM 990 CB GLU B 17 148.265 -0.526 -7.747 1.00 0.51 C ATOM 991 CG GLU B 17 149.783 -0.512 -7.838 1.00 0.80 C ATOM 992 CD GLU B 17 150.308 0.648 -8.662 1.00 1.10 C ATOM 993 OE1 GLU B 17 150.439 0.489 -9.894 1.00 1.47 O ATOM 994 OE2 GLU B 17 150.587 1.715 -8.076 1.00 1.49 O ATOM 0 H GLU B 17 146.081 -1.655 -7.530 1.00 0.30 H new ATOM 0 HA GLU B 17 148.434 -1.766 -6.007 1.00 0.38 H new ATOM 0 HB2 GLU B 17 147.868 -1.156 -8.543 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.890 0.482 -7.922 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.203 -0.459 -6.834 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.125 -1.449 -8.277 1.00 0.80 H new ATOM 1001 N LEU B 18 146.806 1.128 -5.726 1.00 0.32 N ATOM 1002 CA LEU B 18 146.625 2.297 -4.857 1.00 0.34 C ATOM 1003 C LEU B 18 146.485 1.896 -3.385 1.00 0.35 C ATOM 1004 O LEU B 18 147.057 2.544 -2.508 1.00 0.66 O ATOM 1005 CB LEU B 18 145.396 3.103 -5.292 1.00 0.51 C ATOM 1006 CG LEU B 18 145.656 4.161 -6.368 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.344 4.647 -6.969 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.446 5.329 -5.790 1.00 0.75 C ATOM 0 H LEU B 18 146.253 1.154 -6.582 1.00 0.32 H new ATOM 0 HA LEU B 18 147.518 2.914 -4.956 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.640 2.410 -5.662 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.976 3.596 -4.415 1.00 0.51 H new ATOM 0 HG LEU B 18 146.248 3.705 -7.162 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.549 5.398 -7.732 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.817 3.806 -7.420 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.725 5.085 -6.186 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.621 6.071 -6.569 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.880 5.784 -4.977 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.402 4.969 -5.410 1.00 0.75 H new ATOM 1020 N LEU B 19 145.730 0.823 -3.120 1.00 0.45 N ATOM 1021 CA LEU B 19 145.533 0.341 -1.751 1.00 0.47 C ATOM 1022 C LEU B 19 146.847 -0.168 -1.157 1.00 0.33 C ATOM 1023 O LEU B 19 147.108 0.013 0.034 1.00 0.45 O ATOM 1024 CB LEU B 19 144.480 -0.772 -1.717 1.00 0.63 C ATOM 1025 CG LEU B 19 143.177 -0.411 -0.997 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.006 -1.182 -1.591 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.298 -0.684 0.497 1.00 0.96 C ATOM 0 H LEU B 19 145.248 0.275 -3.833 1.00 0.45 H new ATOM 0 HA LEU B 19 145.181 1.179 -1.149 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.243 -1.059 -2.742 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.914 -1.647 -1.233 1.00 0.63 H new ATOM 0 HG LEU B 19 142.991 0.654 -1.136 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.089 -0.912 -1.067 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.906 -0.934 -2.648 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.183 -2.252 -1.484 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.363 -0.422 0.992 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.509 -1.741 0.658 1.00 0.96 H new ATOM 0 HD23 LEU B 19 144.109 -0.085 0.912 1.00 0.96 H new ATOM 1039 N ARG B 20 147.679 -0.786 -2.001 1.00 0.35 N ATOM 1040 CA ARG B 20 148.976 -1.302 -1.570 1.00 0.49 C ATOM 1041 C ARG B 20 149.869 -0.161 -1.087 1.00 0.40 C ATOM 1042 O ARG B 20 150.342 -0.184 0.051 1.00 0.49 O ATOM 1043 CB ARG B 20 149.667 -2.064 -2.705 1.00 0.76 C ATOM 1044 CG ARG B 20 148.942 -3.336 -3.118 1.00 0.85 C ATOM 1045 CD ARG B 20 149.918 -4.453 -3.454 1.00 0.96 C ATOM 1046 NE ARG B 20 149.512 -5.735 -2.875 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.120 -6.897 -3.129 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.166 -6.948 -3.951 1.00 1.68 N ATOM 1049 NH2 ARG B 20 149.681 -8.013 -2.557 1.00 1.59 N ATOM 0 H ARG B 20 147.474 -0.940 -2.988 1.00 0.35 H new ATOM 0 HA ARG B 20 148.806 -1.993 -0.745 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.753 -1.408 -3.571 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.681 -2.318 -2.395 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.283 -3.658 -2.312 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.311 -3.131 -3.983 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.994 -4.553 -4.537 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.910 -4.189 -3.088 1.00 0.96 H new ATOM 0 HE ARG B 20 148.715 -5.741 -2.238 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.510 -6.095 -4.393 1.00 1.68 H new ATOM 0 HH12 ARG B 20 151.624 -7.840 -4.139 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.881 -7.982 -1.925 1.00 1.59 H new ATOM 0 HH22 ARG B 20 150.144 -8.901 -2.750 1.00 1.59 H new ATOM 1063 N ARG B 21 150.089 0.843 -1.947 1.00 0.35 N ATOM 1064 CA ARG B 21 150.917 1.997 -1.592 1.00 0.35 C ATOM 1065 C ARG B 21 150.352 2.712 -0.368 1.00 0.34 C ATOM 1066 O ARG B 21 151.104 3.166 0.495 1.00 0.47 O ATOM 1067 CB ARG B 21 151.003 2.972 -2.769 1.00 0.45 C ATOM 1068 CG ARG B 21 152.054 4.056 -2.590 1.00 0.70 C ATOM 1069 CD ARG B 21 151.825 5.215 -3.546 1.00 0.98 C ATOM 1070 NE ARG B 21 153.061 5.943 -3.837 1.00 0.97 N ATOM 1071 CZ ARG B 21 153.298 6.591 -4.981 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.390 6.603 -5.955 1.00 2.12 N ATOM 1073 NH2 ARG B 21 154.450 7.231 -5.152 1.00 1.53 N ATOM 0 H ARG B 21 149.705 0.877 -2.891 1.00 0.35 H new ATOM 0 HA ARG B 21 151.918 1.636 -1.354 1.00 0.35 H new ATOM 0 HB2 ARG B 21 151.223 2.412 -3.678 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.030 3.442 -2.912 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.032 4.420 -1.563 1.00 0.70 H new ATOM 0 HG3 ARG B 21 153.045 3.635 -2.758 1.00 0.70 H new ATOM 0 HD2 ARG B 21 151.400 4.838 -4.476 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.094 5.900 -3.116 1.00 0.98 H new ATOM 0 HE ARG B 21 153.787 5.956 -3.121 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.503 6.114 -5.832 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.581 7.101 -6.824 1.00 2.12 H new ATOM 0 HH21 ARG B 21 155.151 7.227 -4.411 1.00 1.53 H new ATOM 0 HH22 ARG B 21 154.634 7.727 -6.024 1.00 1.53 H new ATOM 1087 N LYS B 22 149.021 2.799 -0.295 1.00 0.30 N ATOM 1088 CA LYS B 22 148.354 3.441 0.832 1.00 0.36 C ATOM 1089 C LYS B 22 148.834 2.812 2.134 1.00 0.31 C ATOM 1090 O LYS B 22 149.277 3.511 3.047 1.00 0.36 O ATOM 1091 CB LYS B 22 146.833 3.305 0.704 1.00 0.47 C ATOM 1092 CG LYS B 22 146.060 4.368 1.467 1.00 0.69 C ATOM 1093 CD LYS B 22 144.592 4.382 1.068 1.00 0.86 C ATOM 1094 CE LYS B 22 143.699 3.908 2.205 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.268 5.032 3.084 1.00 0.70 N ATOM 0 H LYS B 22 148.387 2.432 -1.005 1.00 0.30 H new ATOM 0 HA LYS B 22 148.602 4.502 0.834 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.560 3.355 -0.350 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.533 2.321 1.064 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.146 4.184 2.538 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.500 5.347 1.276 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.304 5.391 0.774 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.445 3.742 0.198 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.820 3.413 1.793 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.233 3.167 2.800 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.662 4.665 3.845 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.105 5.489 3.498 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.736 5.727 2.523 1.00 0.70 H new ATOM 1109 N ASP B 23 148.769 1.479 2.195 1.00 0.32 N ATOM 1110 CA ASP B 23 149.223 0.740 3.366 1.00 0.32 C ATOM 1111 C ASP B 23 150.741 0.848 3.519 1.00 0.30 C ATOM 1112 O ASP B 23 151.263 0.741 4.629 1.00 0.37 O ATOM 1113 CB ASP B 23 148.810 -0.730 3.264 1.00 0.36 C ATOM 1114 CG ASP B 23 147.390 -0.967 3.744 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.456 -0.830 2.926 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.213 -1.288 4.938 1.00 1.11 O ATOM 0 H ASP B 23 148.405 0.893 1.444 1.00 0.32 H new ATOM 0 HA ASP B 23 148.753 1.178 4.247 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.900 -1.059 2.229 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.496 -1.339 3.853 1.00 0.36 H new ATOM 1121 N THR B 24 151.452 1.062 2.403 1.00 0.28 N ATOM 1122 CA THR B 24 152.904 1.187 2.455 1.00 0.29 C ATOM 1123 C THR B 24 153.285 2.440 3.239 1.00 0.27 C ATOM 1124 O THR B 24 153.948 2.338 4.266 1.00 0.32 O ATOM 1125 CB THR B 24 153.500 1.239 1.042 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.278 0.018 0.358 1.00 0.54 O ATOM 1127 CG2 THR B 24 154.992 1.506 1.025 1.00 0.55 C ATOM 0 H THR B 24 151.048 1.150 1.471 1.00 0.28 H new ATOM 0 HA THR B 24 153.311 0.311 2.960 1.00 0.29 H new ATOM 0 HB THR B 24 152.993 2.069 0.549 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.315 -0.120 0.239 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.346 1.529 -0.006 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.195 2.466 1.500 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.509 0.715 1.568 1.00 0.55 H new ATOM 1135 N HIS B 25 152.893 3.623 2.741 1.00 0.26 N ATOM 1136 CA HIS B 25 153.220 4.899 3.393 1.00 0.29 C ATOM 1137 C HIS B 25 153.091 4.850 4.917 1.00 0.31 C ATOM 1138 O HIS B 25 154.025 5.221 5.624 1.00 0.41 O ATOM 1139 CB HIS B 25 152.325 6.012 2.838 1.00 0.34 C ATOM 1140 CG HIS B 25 153.081 7.075 2.106 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.531 8.230 2.710 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.472 7.153 0.812 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.164 8.972 1.820 1.00 0.72 C ATOM 1144 NE2 HIS B 25 154.143 8.341 0.660 1.00 0.74 N ATOM 0 H HIS B 25 152.347 3.721 1.885 1.00 0.26 H new ATOM 0 HA HIS B 25 154.267 5.103 3.170 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.587 5.573 2.166 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.775 6.469 3.660 1.00 0.34 H new ATOM 0 HD2 HIS B 25 153.290 6.417 0.043 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.621 9.932 2.009 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.558 8.681 -0.208 1.00 0.74 H new ATOM 1153 N ILE B 26 151.938 4.405 5.423 1.00 0.29 N ATOM 1154 CA ILE B 26 151.718 4.331 6.874 1.00 0.35 C ATOM 1155 C ILE B 26 152.813 3.514 7.576 1.00 0.35 C ATOM 1156 O ILE B 26 153.094 3.728 8.757 1.00 0.47 O ATOM 1157 CB ILE B 26 150.332 3.737 7.221 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.152 2.359 6.579 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.223 4.684 6.778 1.00 0.54 C ATOM 1160 CD1 ILE B 26 148.991 1.569 7.145 1.00 0.68 C ATOM 0 H ILE B 26 151.148 4.093 4.858 1.00 0.29 H new ATOM 0 HA ILE B 26 151.757 5.358 7.237 1.00 0.35 H new ATOM 0 HB ILE B 26 150.274 3.615 8.303 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.006 2.484 5.506 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.069 1.784 6.710 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.254 4.252 7.029 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.337 5.641 7.287 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.284 4.837 5.701 1.00 0.54 H new ATOM 0 HD11 ILE B 26 148.927 0.605 6.641 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.144 1.411 8.213 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.065 2.122 6.990 1.00 0.68 H new ATOM 1172 N ARG B 27 153.448 2.603 6.832 1.00 0.31 N ATOM 1173 CA ARG B 27 154.532 1.777 7.361 1.00 0.37 C ATOM 1174 C ARG B 27 155.891 2.457 7.146 1.00 0.34 C ATOM 1175 O ARG B 27 156.737 2.464 8.041 1.00 0.39 O ATOM 1176 CB ARG B 27 154.521 0.398 6.695 1.00 0.46 C ATOM 1177 CG ARG B 27 155.476 -0.600 7.332 1.00 0.53 C ATOM 1178 CD ARG B 27 156.011 -1.590 6.308 1.00 0.80 C ATOM 1179 NE ARG B 27 157.443 -1.844 6.478 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.081 -2.898 5.962 1.00 0.92 C ATOM 1181 NH1 ARG B 27 157.420 -3.811 5.255 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.388 -3.040 6.156 1.00 1.67 N ATOM 0 H ARG B 27 153.226 2.420 5.854 1.00 0.31 H new ATOM 0 HA ARG B 27 154.376 1.654 8.433 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.509 -0.006 6.734 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.778 0.512 5.642 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.307 -0.067 7.793 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.963 -1.140 8.128 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.465 -2.529 6.394 1.00 0.80 H new ATOM 0 HD3 ARG B 27 155.829 -1.206 5.304 1.00 0.80 H new ATOM 0 HE ARG B 27 157.986 -1.175 7.024 1.00 0.90 H new ATOM 0 HH11 ARG B 27 156.417 -3.710 5.103 1.00 1.21 H new ATOM 0 HH12 ARG B 27 157.917 -4.612 4.865 1.00 1.21 H new ATOM 0 HH21 ARG B 27 159.902 -2.345 6.698 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.878 -3.844 5.763 1.00 1.67 H new ATOM 1196 N GLU B 28 156.088 3.029 5.952 1.00 0.33 N ATOM 1197 CA GLU B 28 157.338 3.718 5.613 1.00 0.36 C ATOM 1198 C GLU B 28 157.504 4.987 6.453 1.00 0.35 C ATOM 1199 O GLU B 28 158.603 5.291 6.920 1.00 0.44 O ATOM 1200 CB GLU B 28 157.365 4.050 4.111 1.00 0.47 C ATOM 1201 CG GLU B 28 158.060 5.361 3.766 1.00 0.78 C ATOM 1202 CD GLU B 28 158.098 5.625 2.273 1.00 1.17 C ATOM 1203 OE1 GLU B 28 157.068 6.066 1.720 1.00 1.62 O ATOM 1204 OE2 GLU B 28 159.159 5.392 1.656 1.00 1.79 O ATOM 0 H GLU B 28 155.396 3.028 5.203 1.00 0.33 H new ATOM 0 HA GLU B 28 158.174 3.056 5.839 1.00 0.36 H new ATOM 0 HB2 GLU B 28 157.864 3.239 3.581 1.00 0.47 H new ATOM 0 HB3 GLU B 28 156.340 4.089 3.742 1.00 0.47 H new ATOM 0 HG2 GLU B 28 157.545 6.183 4.264 1.00 0.78 H new ATOM 0 HG3 GLU B 28 159.078 5.341 4.154 1.00 0.78 H new ATOM 1211 N LEU B 29 156.397 5.702 6.669 1.00 0.33 N ATOM 1212 CA LEU B 29 156.406 6.916 7.483 1.00 0.38 C ATOM 1213 C LEU B 29 156.400 6.570 8.981 1.00 0.42 C ATOM 1214 O LEU B 29 156.434 7.460 9.831 1.00 0.79 O ATOM 1215 CB LEU B 29 155.205 7.805 7.140 1.00 0.46 C ATOM 1216 CG LEU B 29 155.556 9.246 6.757 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.422 9.450 5.255 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.675 10.232 7.512 1.00 0.59 C ATOM 0 H LEU B 29 155.482 5.459 6.290 1.00 0.33 H new ATOM 0 HA LEU B 29 157.321 7.465 7.260 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.658 7.349 6.315 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.531 7.826 7.997 1.00 0.46 H new ATOM 0 HG LEU B 29 156.593 9.430 7.036 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.676 10.480 5.004 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.098 8.772 4.734 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.396 9.244 4.950 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.940 11.250 7.226 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.629 10.047 7.267 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.824 10.106 8.584 1.00 0.59 H new ATOM 1230 N GLU B 30 156.401 5.265 9.288 1.00 0.43 N ATOM 1231 CA GLU B 30 156.437 4.792 10.665 1.00 0.45 C ATOM 1232 C GLU B 30 157.883 4.714 11.156 1.00 0.44 C ATOM 1233 O GLU B 30 158.153 4.901 12.343 1.00 0.58 O ATOM 1234 CB GLU B 30 155.760 3.425 10.786 1.00 0.51 C ATOM 1235 CG GLU B 30 154.698 3.368 11.872 1.00 0.58 C ATOM 1236 CD GLU B 30 155.288 3.401 13.270 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.515 4.513 13.794 1.00 1.35 O ATOM 1238 OE2 GLU B 30 155.526 2.316 13.840 1.00 1.26 O ATOM 0 H GLU B 30 156.377 4.520 8.591 1.00 0.43 H new ATOM 0 HA GLU B 30 155.890 5.500 11.288 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.304 3.168 9.830 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.519 2.670 10.991 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.014 4.208 11.751 1.00 0.58 H new ATOM 0 HG3 GLU B 30 154.110 2.458 11.752 1.00 0.58 H new ATOM 1245 N ASP B 31 158.813 4.470 10.226 1.00 0.41 N ATOM 1246 CA ASP B 31 160.235 4.404 10.558 1.00 0.55 C ATOM 1247 C ASP B 31 160.775 5.818 10.866 1.00 0.57 C ATOM 1248 O ASP B 31 161.216 6.091 11.975 1.00 0.76 O ATOM 1249 CB ASP B 31 161.021 3.769 9.399 1.00 0.69 C ATOM 1250 CG ASP B 31 162.446 3.430 9.788 1.00 1.28 C ATOM 1251 OD1 ASP B 31 162.676 2.303 10.275 1.00 1.74 O ATOM 1252 OD2 ASP B 31 163.332 4.292 9.610 1.00 1.66 O ATOM 0 H ASP B 31 158.604 4.316 9.240 1.00 0.41 H new ATOM 0 HA ASP B 31 160.362 3.783 11.445 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.511 2.863 9.070 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.031 4.454 8.551 1.00 0.69 H new ATOM 1257 N TYR B 32 160.692 6.684 9.845 1.00 0.49 N ATOM 1258 CA TYR B 32 161.131 8.073 9.958 1.00 0.56 C ATOM 1259 C TYR B 32 160.724 8.666 11.322 1.00 0.56 C ATOM 1260 O TYR B 32 161.516 9.355 11.967 1.00 0.67 O ATOM 1261 CB TYR B 32 160.562 8.924 8.837 1.00 0.60 C ATOM 1262 CG TYR B 32 161.249 8.704 7.511 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.384 9.427 7.167 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.762 7.774 6.604 1.00 0.96 C ATOM 1265 CE1 TYR B 32 163.013 9.228 5.954 1.00 1.37 C ATOM 1266 CE2 TYR B 32 161.384 7.570 5.389 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.509 8.299 5.068 1.00 1.21 C ATOM 1268 OH TYR B 32 163.132 8.100 3.857 1.00 1.53 O ATOM 0 H TYR B 32 160.321 6.439 8.927 1.00 0.49 H new ATOM 0 HA TYR B 32 162.218 8.079 9.878 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.500 8.706 8.728 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.645 9.976 9.111 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.780 10.156 7.859 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.882 7.200 6.853 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.895 9.797 5.700 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.991 6.843 4.693 1.00 1.17 H new ATOM 0 HH TYR B 32 162.652 7.411 3.351 1.00 1.53 H new ATOM 1278 N ILE B 33 159.488 8.381 11.756 1.00 0.54 N ATOM 1279 CA ILE B 33 158.985 8.879 13.039 1.00 0.64 C ATOM 1280 C ILE B 33 159.732 8.242 14.214 1.00 0.58 C ATOM 1281 O ILE B 33 160.157 8.943 15.135 1.00 0.78 O ATOM 1282 CB ILE B 33 157.468 8.616 13.198 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.675 9.427 12.169 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.008 8.954 14.613 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.211 9.045 12.089 1.00 0.87 C ATOM 0 H ILE B 33 158.821 7.809 11.237 1.00 0.54 H new ATOM 0 HA ILE B 33 159.158 9.955 13.045 1.00 0.64 H new ATOM 0 HB ILE B 33 157.283 7.556 13.022 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.752 10.486 12.417 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.130 9.295 11.187 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.939 8.762 14.704 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.550 8.336 15.329 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.207 10.006 14.819 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.715 9.661 11.340 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.124 7.995 11.811 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.740 9.204 13.059 1.00 0.87 H new ATOM 1297 N ASP B 34 159.880 6.912 14.174 1.00 0.46 N ATOM 1298 CA ASP B 34 160.571 6.162 15.229 1.00 0.50 C ATOM 1299 C ASP B 34 161.859 6.852 15.687 1.00 0.40 C ATOM 1300 O ASP B 34 162.194 6.798 16.861 1.00 0.45 O ATOM 1301 CB ASP B 34 160.888 4.741 14.754 1.00 0.69 C ATOM 1302 CG ASP B 34 159.996 3.703 15.406 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.342 3.231 16.510 1.00 1.46 O ATOM 1304 OD2 ASP B 34 158.950 3.363 14.812 1.00 1.34 O ATOM 0 H ASP B 34 159.527 6.329 13.415 1.00 0.46 H new ATOM 0 HA ASP B 34 159.895 6.122 16.083 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.772 4.688 13.672 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.930 4.511 14.974 1.00 0.69 H new ATOM 1309 N ASN B 35 162.572 7.494 14.755 1.00 0.52 N ATOM 1310 CA ASN B 35 163.825 8.201 15.065 1.00 0.58 C ATOM 1311 C ASN B 35 163.762 8.884 16.435 1.00 0.49 C ATOM 1312 O ASN B 35 164.726 8.839 17.200 1.00 0.61 O ATOM 1313 CB ASN B 35 164.135 9.238 13.980 1.00 0.78 C ATOM 1314 CG ASN B 35 164.982 8.668 12.856 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.210 8.741 12.893 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.330 8.096 11.849 1.00 1.31 N ATOM 0 H ASN B 35 162.302 7.540 13.772 1.00 0.52 H new ATOM 0 HA ASN B 35 164.623 7.459 15.093 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.200 9.619 13.569 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.655 10.085 14.429 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.849 7.696 11.067 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.311 8.057 11.858 1.00 1.31 H new ATOM 1323 N LEU B 36 162.614 9.495 16.746 1.00 0.44 N ATOM 1324 CA LEU B 36 162.419 10.160 18.035 1.00 0.51 C ATOM 1325 C LEU B 36 162.454 9.130 19.166 1.00 0.47 C ATOM 1326 O LEU B 36 163.210 9.274 20.128 1.00 0.59 O ATOM 1327 CB LEU B 36 161.086 10.919 18.057 1.00 0.71 C ATOM 1328 CG LEU B 36 160.806 11.795 16.831 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.320 12.105 16.724 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.619 13.080 16.893 1.00 1.64 C ATOM 0 H LEU B 36 161.808 9.542 16.123 1.00 0.44 H new ATOM 0 HA LEU B 36 163.227 10.877 18.179 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.277 10.195 18.157 1.00 0.71 H new ATOM 0 HB3 LEU B 36 161.061 11.550 18.946 1.00 0.71 H new ATOM 0 HG LEU B 36 161.106 11.244 15.940 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.140 12.728 15.848 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.760 11.175 16.629 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.994 12.635 17.619 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.406 13.688 16.014 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.353 13.636 17.792 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.681 12.838 16.918 1.00 1.64 H new ATOM 1342 N LEU B 37 161.643 8.078 19.022 1.00 0.41 N ATOM 1343 CA LEU B 37 161.580 6.995 20.003 1.00 0.48 C ATOM 1344 C LEU B 37 162.137 5.702 19.397 1.00 0.41 C ATOM 1345 O LEU B 37 161.425 4.703 19.262 1.00 0.54 O ATOM 1346 CB LEU B 37 160.134 6.786 20.476 1.00 0.65 C ATOM 1347 CG LEU B 37 159.110 6.528 19.363 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.241 5.325 19.702 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.250 7.763 19.129 1.00 0.69 C ATOM 0 H LEU B 37 161.016 7.955 18.227 1.00 0.41 H new ATOM 0 HA LEU B 37 162.189 7.267 20.865 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.114 5.944 21.168 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.822 7.667 21.037 1.00 0.65 H new ATOM 0 HG LEU B 37 159.652 6.309 18.443 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.521 5.159 18.900 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.870 4.442 19.814 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.709 5.512 20.635 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.530 7.560 18.336 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.718 8.015 20.046 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.886 8.599 18.837 1.00 0.69 H new ATOM 1361 N VAL B 38 163.415 5.742 19.007 1.00 0.36 N ATOM 1362 CA VAL B 38 164.079 4.598 18.378 1.00 0.49 C ATOM 1363 C VAL B 38 163.837 3.299 19.149 1.00 0.67 C ATOM 1364 O VAL B 38 163.618 3.311 20.360 1.00 1.35 O ATOM 1365 CB VAL B 38 165.604 4.836 18.245 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.300 3.626 17.634 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.883 6.084 17.420 1.00 0.89 C ATOM 0 H VAL B 38 164.013 6.561 19.117 1.00 0.36 H new ATOM 0 HA VAL B 38 163.642 4.498 17.385 1.00 0.49 H new ATOM 0 HB VAL B 38 166.006 4.985 19.247 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.369 3.823 17.553 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.139 2.755 18.269 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.891 3.433 16.642 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.960 6.233 17.339 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.457 5.964 16.424 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.432 6.950 17.906 1.00 0.89 H new ATOM 1377 N ARG B 39 163.859 2.193 18.398 1.00 0.54 N ATOM 1378 CA ARG B 39 163.627 0.847 18.935 1.00 0.62 C ATOM 1379 C ARG B 39 164.485 0.559 20.173 1.00 0.51 C ATOM 1380 O ARG B 39 165.533 -0.085 20.083 1.00 0.63 O ATOM 1381 CB ARG B 39 163.894 -0.205 17.854 1.00 0.93 C ATOM 1382 CG ARG B 39 162.703 -0.457 16.944 1.00 1.15 C ATOM 1383 CD ARG B 39 163.136 -0.988 15.585 1.00 1.41 C ATOM 1384 NE ARG B 39 163.054 -2.448 15.512 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.064 -3.276 15.802 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.242 -2.799 16.199 1.00 2.06 N ATOM 1387 NH2 ARG B 39 163.892 -4.589 15.697 1.00 2.18 N ATOM 0 H ARG B 39 164.039 2.206 17.394 1.00 0.54 H new ATOM 0 HA ARG B 39 162.583 0.797 19.244 1.00 0.62 H new ATOM 0 HB2 ARG B 39 164.742 0.115 17.249 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.180 -1.142 18.333 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.029 -1.172 17.416 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.144 0.469 16.812 1.00 1.15 H new ATOM 0 HD2 ARG B 39 162.508 -0.551 14.809 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.159 -0.672 15.382 1.00 1.41 H new ATOM 0 HE ARG B 39 162.168 -2.861 15.221 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.382 -1.792 16.285 1.00 2.06 H new ATOM 0 HH12 ARG B 39 166.005 -3.440 16.417 1.00 2.06 H new ATOM 0 HH21 ARG B 39 162.992 -4.963 15.396 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.660 -5.223 15.917 1.00 2.18 H new ATOM 1401 N VAL B 40 164.021 1.042 21.329 1.00 0.43 N ATOM 1402 CA VAL B 40 164.719 0.849 22.599 1.00 0.56 C ATOM 1403 C VAL B 40 163.721 0.852 23.761 1.00 0.71 C ATOM 1404 O VAL B 40 163.664 1.803 24.545 1.00 1.15 O ATOM 1405 CB VAL B 40 165.789 1.944 22.840 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.564 1.669 24.122 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.739 2.050 21.655 1.00 0.65 C ATOM 0 H VAL B 40 163.155 1.575 21.409 1.00 0.43 H new ATOM 0 HA VAL B 40 165.223 -0.116 22.547 1.00 0.56 H new ATOM 0 HB VAL B 40 165.273 2.898 22.947 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.310 2.450 24.271 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.876 1.658 24.968 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.062 0.702 24.046 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.479 2.826 21.851 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.244 1.095 21.507 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.175 2.305 20.758 1.00 0.65 H new ATOM 1417 N MET B 41 162.927 -0.215 23.859 1.00 0.60 N ATOM 1418 CA MET B 41 161.923 -0.333 24.920 1.00 0.74 C ATOM 1419 C MET B 41 162.080 -1.652 25.676 1.00 0.91 C ATOM 1420 O MET B 41 162.075 -2.718 25.021 1.00 0.91 O ATOM 1421 CB MET B 41 160.500 -0.226 24.347 1.00 0.73 C ATOM 1422 CG MET B 41 160.412 0.490 23.006 1.00 0.74 C ATOM 1423 SD MET B 41 160.212 -0.650 21.622 1.00 0.86 S ATOM 1424 CE MET B 41 159.487 0.429 20.390 1.00 0.70 C ATOM 1425 OXT MET B 41 162.208 -1.607 26.917 1.00 1.13 O ATOM 0 H MET B 41 162.958 -1.009 23.219 1.00 0.60 H new ATOM 0 HA MET B 41 162.082 0.491 25.616 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.090 -1.230 24.236 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.871 0.298 25.066 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.572 1.185 23.024 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.314 1.084 22.855 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.305 -0.134 19.475 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.544 0.827 20.765 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.170 1.252 20.180 1.00 0.70 H new