USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=12 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 -57:sc= 0.185 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.128 X(o=-0.13,f=0) 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 72:sc= 0.0874 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.00977 X(o=0.0098,f=0) USER MOD Single : A 41 MET CE :methyl 169:sc= 0 (180deg=-0.0978) 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 -52:sc= 0.00137 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc= -0.14 X(o=-0.14,f=0) 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 74:sc= 0.09 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.00834 X(o=0.0083,f=0) USER MOD Single : B 41 MET CE :methyl -164:sc=-0.00273 (180deg=-0.263) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.380 -18.892 -19.008 1.00 0.77 N ATOM 2 CA GLY A 1 130.897 -19.051 -17.608 1.00 0.81 C ATOM 3 C GLY A 1 130.712 -17.722 -16.899 1.00 0.65 C ATOM 4 O GLY A 1 129.964 -16.861 -17.369 1.00 0.70 O ATOM 0 H1 GLY A 1 131.489 -19.829 -19.446 1.00 0.77 H new ATOM 0 H2 GLY A 1 130.691 -18.334 -19.552 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.297 -18.402 -19.005 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.950 -19.590 -17.614 1.00 0.81 H new ATOM 0 HA3 GLY A 1 131.608 -19.660 -17.050 1.00 0.81 H new ATOM 10 N SER A 2 131.391 -17.557 -15.763 1.00 0.55 N ATOM 11 CA SER A 2 131.297 -16.324 -14.981 1.00 0.48 C ATOM 12 C SER A 2 132.525 -15.442 -15.166 1.00 0.47 C ATOM 13 O SER A 2 132.407 -14.225 -15.095 1.00 0.71 O ATOM 14 CB SER A 2 131.096 -16.643 -13.498 1.00 0.54 C ATOM 15 OG SER A 2 129.766 -17.058 -13.242 1.00 0.67 O ATOM 0 H SER A 2 132.012 -18.261 -15.364 1.00 0.55 H new ATOM 0 HA SER A 2 130.432 -15.771 -15.348 1.00 0.48 H new ATOM 0 HB2 SER A 2 131.790 -17.427 -13.194 1.00 0.54 H new ATOM 0 HB3 SER A 2 131.327 -15.762 -12.899 1.00 0.54 H new ATOM 0 HG SER A 2 129.663 -17.258 -12.288 1.00 0.67 H new ATOM 21 N LEU A 3 133.691 -16.047 -15.420 1.00 0.38 N ATOM 22 CA LEU A 3 134.922 -15.274 -15.641 1.00 0.43 C ATOM 23 C LEU A 3 134.773 -14.469 -16.932 1.00 0.53 C ATOM 24 O LEU A 3 135.311 -14.830 -17.981 1.00 0.88 O ATOM 25 CB LEU A 3 136.165 -16.183 -15.699 1.00 0.48 C ATOM 26 CG LEU A 3 135.914 -17.650 -16.077 1.00 0.85 C ATOM 27 CD1 LEU A 3 137.058 -18.189 -16.923 1.00 1.05 C ATOM 28 CD2 LEU A 3 135.729 -18.499 -14.826 1.00 1.42 C ATOM 0 H LEU A 3 133.810 -17.058 -15.478 1.00 0.38 H new ATOM 0 HA LEU A 3 135.069 -14.597 -14.800 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.866 -15.759 -16.418 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.653 -16.159 -14.725 1.00 0.48 H new ATOM 0 HG LEU A 3 134.999 -17.700 -16.667 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.861 -19.230 -17.180 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.145 -17.600 -17.836 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.989 -18.124 -16.360 1.00 1.05 H new ATOM 0 HD21 LEU A 3 135.552 -19.536 -15.113 1.00 1.42 H new ATOM 0 HD22 LEU A 3 136.627 -18.441 -14.211 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.875 -18.129 -14.258 1.00 1.42 H new ATOM 40 N THR A 4 133.970 -13.409 -16.841 1.00 0.41 N ATOM 41 CA THR A 4 133.646 -12.562 -17.978 1.00 0.49 C ATOM 42 C THR A 4 133.664 -11.076 -17.608 1.00 0.39 C ATOM 43 O THR A 4 134.324 -10.669 -16.648 1.00 0.39 O ATOM 44 CB THR A 4 132.282 -12.974 -18.556 1.00 0.65 C ATOM 45 OG1 THR A 4 131.251 -12.777 -17.603 1.00 0.64 O ATOM 46 CG2 THR A 4 132.229 -14.423 -18.996 1.00 0.80 C ATOM 0 H THR A 4 133.526 -13.116 -15.970 1.00 0.41 H new ATOM 0 HA THR A 4 134.413 -12.703 -18.739 1.00 0.49 H new ATOM 0 HB THR A 4 132.138 -12.340 -19.431 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.460 -13.278 -16.787 1.00 0.64 H new ATOM 0 HG21 THR A 4 131.239 -14.647 -19.393 1.00 0.80 H new ATOM 0 HG22 THR A 4 132.978 -14.596 -19.769 1.00 0.80 H new ATOM 0 HG23 THR A 4 132.432 -15.070 -18.143 1.00 0.80 H new ATOM 54 N TYR A 5 132.940 -10.276 -18.389 1.00 0.48 N ATOM 55 CA TYR A 5 132.866 -8.832 -18.167 1.00 0.46 C ATOM 56 C TYR A 5 131.940 -8.494 -16.999 1.00 0.42 C ATOM 57 O TYR A 5 132.216 -7.570 -16.232 1.00 0.47 O ATOM 58 CB TYR A 5 132.392 -8.119 -19.439 1.00 0.59 C ATOM 59 CG TYR A 5 132.226 -6.619 -19.280 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.168 -5.861 -18.592 1.00 0.71 C ATOM 61 CD2 TYR A 5 131.126 -5.962 -19.819 1.00 0.81 C ATOM 62 CE1 TYR A 5 133.018 -4.495 -18.446 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.969 -4.596 -19.677 1.00 0.90 C ATOM 64 CZ TYR A 5 131.917 -3.867 -18.990 1.00 0.65 C ATOM 65 OH TYR A 5 131.764 -2.507 -18.846 1.00 0.79 O ATOM 0 H TYR A 5 132.394 -10.605 -19.185 1.00 0.48 H new ATOM 0 HA TYR A 5 133.868 -8.483 -17.915 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.106 -8.312 -20.239 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.440 -8.549 -19.751 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.032 -6.349 -18.164 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.381 -6.529 -20.358 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.759 -3.922 -17.909 1.00 0.69 H new ATOM 0 HE2 TYR A 5 130.108 -4.102 -20.102 1.00 0.90 H new ATOM 0 HH TYR A 5 130.937 -2.222 -19.288 1.00 0.79 H new ATOM 75 N GLU A 6 130.844 -9.245 -16.864 1.00 0.48 N ATOM 76 CA GLU A 6 129.884 -9.018 -15.782 1.00 0.50 C ATOM 77 C GLU A 6 130.447 -9.448 -14.422 1.00 0.38 C ATOM 78 O GLU A 6 129.883 -9.107 -13.380 1.00 0.47 O ATOM 79 CB GLU A 6 128.580 -9.769 -16.066 1.00 0.60 C ATOM 80 CG GLU A 6 127.396 -8.851 -16.325 1.00 0.65 C ATOM 81 CD GLU A 6 126.080 -9.601 -16.395 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.437 -9.773 -15.338 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.692 -10.016 -17.508 1.00 1.16 O ATOM 0 H GLU A 6 130.600 -10.013 -17.489 1.00 0.48 H new ATOM 0 HA GLU A 6 129.686 -7.947 -15.739 1.00 0.50 H new ATOM 0 HB2 GLU A 6 128.724 -10.416 -16.931 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.350 -10.415 -15.219 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.342 -8.103 -15.534 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.555 -8.315 -17.261 1.00 0.65 H new ATOM 90 N GLU A 7 131.560 -10.188 -14.435 1.00 0.30 N ATOM 91 CA GLU A 7 132.190 -10.648 -13.201 1.00 0.29 C ATOM 92 C GLU A 7 133.153 -9.597 -12.659 1.00 0.28 C ATOM 93 O GLU A 7 133.255 -9.413 -11.445 1.00 0.46 O ATOM 94 CB GLU A 7 132.928 -11.965 -13.439 1.00 0.40 C ATOM 95 CG GLU A 7 133.531 -12.575 -12.183 1.00 0.56 C ATOM 96 CD GLU A 7 134.619 -13.585 -12.493 1.00 0.72 C ATOM 97 OE1 GLU A 7 135.765 -13.163 -12.751 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.324 -14.798 -12.482 1.00 0.81 O ATOM 0 H GLU A 7 132.040 -10.479 -15.287 1.00 0.30 H new ATOM 0 HA GLU A 7 131.407 -10.811 -12.461 1.00 0.29 H new ATOM 0 HB2 GLU A 7 132.236 -12.682 -13.882 1.00 0.40 H new ATOM 0 HB3 GLU A 7 133.723 -11.798 -14.166 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.943 -11.782 -11.559 1.00 0.56 H new ATOM 0 HG3 GLU A 7 132.744 -13.059 -11.604 1.00 0.56 H new ATOM 105 N VAL A 8 133.850 -8.898 -13.561 1.00 0.34 N ATOM 106 CA VAL A 8 134.790 -7.857 -13.162 1.00 0.36 C ATOM 107 C VAL A 8 134.058 -6.710 -12.460 1.00 0.28 C ATOM 108 O VAL A 8 134.587 -6.110 -11.524 1.00 0.39 O ATOM 109 CB VAL A 8 135.582 -7.323 -14.383 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.837 -6.197 -15.090 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.974 -6.874 -13.968 1.00 0.77 C ATOM 0 H VAL A 8 133.778 -9.037 -14.569 1.00 0.34 H new ATOM 0 HA VAL A 8 135.500 -8.298 -12.462 1.00 0.36 H new ATOM 0 HB VAL A 8 135.682 -8.144 -15.093 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.424 -5.850 -15.940 1.00 0.46 H new ATOM 0 HG12 VAL A 8 133.872 -6.563 -15.441 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.681 -5.372 -14.395 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.512 -6.503 -14.840 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.894 -6.079 -13.226 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.516 -7.717 -13.539 1.00 0.77 H new ATOM 121 N LEU A 9 132.836 -6.416 -12.924 1.00 0.36 N ATOM 122 CA LEU A 9 132.022 -5.349 -12.346 1.00 0.49 C ATOM 123 C LEU A 9 131.911 -5.511 -10.831 1.00 0.53 C ATOM 124 O LEU A 9 132.189 -4.573 -10.083 1.00 0.73 O ATOM 125 CB LEU A 9 130.625 -5.340 -12.975 1.00 0.66 C ATOM 126 CG LEU A 9 130.569 -4.868 -14.431 1.00 0.65 C ATOM 127 CD1 LEU A 9 129.226 -5.219 -15.055 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.826 -3.369 -14.520 1.00 0.72 C ATOM 0 H LEU A 9 132.392 -6.906 -13.701 1.00 0.36 H new ATOM 0 HA LEU A 9 132.511 -4.398 -12.558 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.213 -6.348 -12.920 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.979 -4.698 -12.377 1.00 0.66 H new ATOM 0 HG LEU A 9 131.352 -5.383 -14.988 1.00 0.65 H new ATOM 0 HD11 LEU A 9 129.205 -4.876 -16.089 1.00 0.86 H new ATOM 0 HD12 LEU A 9 129.083 -6.299 -15.028 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.427 -4.733 -14.495 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.782 -3.054 -15.562 1.00 0.72 H new ATOM 0 HD22 LEU A 9 130.068 -2.835 -13.947 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.812 -3.144 -14.114 1.00 0.72 H new ATOM 140 N GLN A 10 131.494 -6.702 -10.385 1.00 0.42 N ATOM 141 CA GLN A 10 131.339 -6.988 -8.956 1.00 0.49 C ATOM 142 C GLN A 10 132.632 -6.747 -8.172 1.00 0.43 C ATOM 143 O GLN A 10 132.585 -6.495 -6.969 1.00 0.50 O ATOM 144 CB GLN A 10 130.878 -8.435 -8.754 1.00 0.60 C ATOM 145 CG GLN A 10 129.465 -8.704 -9.250 1.00 0.69 C ATOM 146 CD GLN A 10 128.403 -8.129 -8.331 1.00 0.82 C ATOM 147 OE1 GLN A 10 127.834 -7.073 -8.607 1.00 1.31 O ATOM 148 NE2 GLN A 10 128.132 -8.820 -7.228 1.00 0.84 N ATOM 0 H GLN A 10 131.258 -7.484 -10.996 1.00 0.42 H new ATOM 0 HA GLN A 10 130.585 -6.301 -8.572 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.568 -9.102 -9.271 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.933 -8.679 -7.693 1.00 0.60 H new ATOM 0 HG2 GLN A 10 129.347 -8.278 -10.246 1.00 0.69 H new ATOM 0 HG3 GLN A 10 129.316 -9.780 -9.343 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.627 -9.691 -7.037 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.429 -8.479 -6.572 1.00 0.84 H new ATOM 157 N GLU A 11 133.782 -6.809 -8.850 1.00 0.41 N ATOM 158 CA GLU A 11 135.071 -6.579 -8.194 1.00 0.44 C ATOM 159 C GLU A 11 135.272 -5.090 -7.901 1.00 0.40 C ATOM 160 O GLU A 11 135.917 -4.726 -6.917 1.00 0.56 O ATOM 161 CB GLU A 11 136.220 -7.100 -9.061 1.00 0.52 C ATOM 162 CG GLU A 11 136.131 -8.588 -9.362 1.00 0.63 C ATOM 163 CD GLU A 11 137.474 -9.190 -9.727 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.254 -9.507 -8.804 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.745 -9.346 -10.937 1.00 1.64 O ATOM 0 H GLU A 11 133.846 -7.015 -9.847 1.00 0.41 H new ATOM 0 HA GLU A 11 135.069 -7.124 -7.250 1.00 0.44 H new ATOM 0 HB2 GLU A 11 136.234 -6.548 -10.001 1.00 0.52 H new ATOM 0 HB3 GLU A 11 137.165 -6.896 -8.558 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.728 -9.107 -8.492 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.430 -8.748 -10.182 1.00 0.63 H new ATOM 172 N LEU A 12 134.700 -4.237 -8.754 1.00 0.34 N ATOM 173 CA LEU A 12 134.799 -2.789 -8.583 1.00 0.34 C ATOM 174 C LEU A 12 133.823 -2.313 -7.507 1.00 0.31 C ATOM 175 O LEU A 12 134.178 -1.493 -6.658 1.00 0.39 O ATOM 176 CB LEU A 12 134.515 -2.071 -9.909 1.00 0.36 C ATOM 177 CG LEU A 12 135.468 -0.919 -10.253 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.242 0.265 -9.323 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.918 -1.382 -10.192 1.00 0.59 C ATOM 0 H LEU A 12 134.163 -4.527 -9.571 1.00 0.34 H new ATOM 0 HA LEU A 12 135.814 -2.548 -8.267 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.553 -2.804 -10.715 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.497 -1.682 -9.881 1.00 0.36 H new ATOM 0 HG LEU A 12 135.256 -0.596 -11.272 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.929 1.070 -9.585 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.215 0.616 -9.424 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.420 -0.042 -8.293 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.577 -0.549 -10.439 1.00 0.59 H new ATOM 0 HD22 LEU A 12 137.144 -1.737 -9.187 1.00 0.59 H new ATOM 0 HD23 LEU A 12 137.072 -2.191 -10.906 1.00 0.59 H new ATOM 191 N VAL A 13 132.596 -2.845 -7.542 1.00 0.26 N ATOM 192 CA VAL A 13 131.571 -2.486 -6.561 1.00 0.26 C ATOM 193 C VAL A 13 131.899 -3.054 -5.174 1.00 0.22 C ATOM 194 O VAL A 13 131.354 -2.596 -4.167 1.00 0.24 O ATOM 195 CB VAL A 13 130.167 -2.965 -7.002 1.00 0.32 C ATOM 196 CG1 VAL A 13 130.037 -4.478 -6.881 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.084 -2.263 -6.194 1.00 0.53 C ATOM 0 H VAL A 13 132.291 -3.525 -8.239 1.00 0.26 H new ATOM 0 HA VAL A 13 131.563 -1.398 -6.501 1.00 0.26 H new ATOM 0 HB VAL A 13 130.037 -2.704 -8.052 1.00 0.32 H new ATOM 0 HG11 VAL A 13 129.040 -4.784 -7.198 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.783 -4.959 -7.514 1.00 0.61 H new ATOM 0 HG13 VAL A 13 130.195 -4.775 -5.844 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.104 -2.613 -6.518 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.217 -2.487 -5.136 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.155 -1.186 -6.349 1.00 0.53 H new ATOM 207 N LYS A 14 132.807 -4.036 -5.124 1.00 0.24 N ATOM 208 CA LYS A 14 133.218 -4.637 -3.859 1.00 0.23 C ATOM 209 C LYS A 14 134.324 -3.802 -3.226 1.00 0.21 C ATOM 210 O LYS A 14 134.269 -3.483 -2.039 1.00 0.28 O ATOM 211 CB LYS A 14 133.699 -6.075 -4.063 1.00 0.30 C ATOM 212 CG LYS A 14 133.248 -7.023 -2.964 1.00 0.84 C ATOM 213 CD LYS A 14 133.332 -8.474 -3.409 1.00 0.68 C ATOM 214 CE LYS A 14 132.669 -9.402 -2.403 1.00 0.73 C ATOM 215 NZ LYS A 14 132.553 -10.794 -2.920 1.00 0.75 N ATOM 0 H LYS A 14 133.268 -4.428 -5.946 1.00 0.24 H new ATOM 0 HA LYS A 14 132.355 -4.660 -3.194 1.00 0.23 H new ATOM 0 HB2 LYS A 14 133.332 -6.441 -5.022 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.788 -6.082 -4.115 1.00 0.30 H new ATOM 0 HG2 LYS A 14 133.867 -6.877 -2.079 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.223 -6.788 -2.678 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.852 -8.586 -4.381 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.377 -8.758 -3.535 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.246 -9.406 -1.478 1.00 0.73 H new ATOM 0 HE3 LYS A 14 131.677 -9.022 -2.158 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.096 -11.393 -2.204 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.981 -10.795 -3.789 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.501 -11.167 -3.129 1.00 0.75 H new ATOM 229 N HIS A 15 135.318 -3.438 -4.037 1.00 0.25 N ATOM 230 CA HIS A 15 136.434 -2.618 -3.572 1.00 0.27 C ATOM 231 C HIS A 15 135.936 -1.241 -3.130 1.00 0.23 C ATOM 232 O HIS A 15 136.449 -0.667 -2.168 1.00 0.43 O ATOM 233 CB HIS A 15 137.481 -2.461 -4.680 1.00 0.33 C ATOM 234 CG HIS A 15 138.275 -3.705 -4.951 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.537 -3.684 -5.507 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.980 -5.011 -4.745 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.982 -4.921 -5.632 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.057 -5.745 -5.176 1.00 0.72 N ATOM 0 H HIS A 15 135.372 -3.700 -5.021 1.00 0.25 H new ATOM 0 HA HIS A 15 136.894 -3.118 -2.720 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.980 -2.155 -5.598 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.166 -1.658 -4.408 1.00 0.33 H new ATOM 0 HD2 HIS A 15 137.067 -5.402 -4.321 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.940 -5.210 -6.038 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.131 -6.762 -5.148 1.00 0.72 H new ATOM 247 N LYS A 16 134.930 -0.721 -3.842 1.00 0.21 N ATOM 248 CA LYS A 16 134.353 0.586 -3.531 1.00 0.25 C ATOM 249 C LYS A 16 133.658 0.574 -2.169 1.00 0.32 C ATOM 250 O LYS A 16 133.958 1.404 -1.310 1.00 0.62 O ATOM 251 CB LYS A 16 133.358 1.005 -4.618 1.00 0.37 C ATOM 252 CG LYS A 16 134.016 1.597 -5.855 1.00 0.50 C ATOM 253 CD LYS A 16 132.994 1.882 -6.947 1.00 0.57 C ATOM 254 CE LYS A 16 133.101 3.311 -7.461 1.00 0.59 C ATOM 255 NZ LYS A 16 131.815 4.051 -7.326 1.00 0.66 N ATOM 0 H LYS A 16 134.499 -1.189 -4.639 1.00 0.21 H new ATOM 0 HA LYS A 16 135.169 1.308 -3.495 1.00 0.25 H new ATOM 0 HB2 LYS A 16 132.768 0.137 -4.912 1.00 0.37 H new ATOM 0 HB3 LYS A 16 132.665 1.736 -4.201 1.00 0.37 H new ATOM 0 HG2 LYS A 16 134.532 2.519 -5.588 1.00 0.50 H new ATOM 0 HG3 LYS A 16 134.771 0.907 -6.232 1.00 0.50 H new ATOM 0 HD2 LYS A 16 133.141 1.186 -7.773 1.00 0.57 H new ATOM 0 HD3 LYS A 16 131.990 1.709 -6.560 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.881 3.837 -6.910 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.403 3.298 -8.508 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.932 5.019 -7.688 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.076 3.564 -7.872 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.539 4.087 -6.324 1.00 0.66 H new ATOM 269 N GLU A 17 132.729 -0.370 -1.975 1.00 0.32 N ATOM 270 CA GLU A 17 131.998 -0.479 -0.710 1.00 0.39 C ATOM 271 C GLU A 17 132.926 -0.892 0.433 1.00 0.32 C ATOM 272 O GLU A 17 132.762 -0.433 1.566 1.00 0.40 O ATOM 273 CB GLU A 17 130.840 -1.477 -0.841 1.00 0.51 C ATOM 274 CG GLU A 17 131.283 -2.925 -1.015 1.00 0.80 C ATOM 275 CD GLU A 17 130.174 -3.841 -1.515 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.999 -3.413 -1.537 1.00 1.43 O ATOM 277 OE2 GLU A 17 130.484 -4.993 -1.885 1.00 1.47 O ATOM 0 H GLU A 17 132.468 -1.065 -2.674 1.00 0.32 H new ATOM 0 HA GLU A 17 131.590 0.504 -0.476 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.210 -1.405 0.046 1.00 0.51 H new ATOM 0 HB3 GLU A 17 130.224 -1.192 -1.694 1.00 0.51 H new ATOM 0 HG2 GLU A 17 132.117 -2.960 -1.716 1.00 0.80 H new ATOM 0 HG3 GLU A 17 131.652 -3.301 -0.061 1.00 0.80 H new ATOM 284 N LEU A 18 133.909 -1.748 0.130 1.00 0.32 N ATOM 285 CA LEU A 18 134.869 -2.199 1.135 1.00 0.34 C ATOM 286 C LEU A 18 135.624 -1.005 1.710 1.00 0.33 C ATOM 287 O LEU A 18 135.784 -0.886 2.926 1.00 0.66 O ATOM 288 CB LEU A 18 135.858 -3.202 0.530 1.00 0.53 C ATOM 289 CG LEU A 18 135.487 -4.675 0.718 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.411 -5.568 -0.099 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.538 -5.055 2.192 1.00 0.79 C ATOM 0 H LEU A 18 134.057 -2.139 -0.800 1.00 0.32 H new ATOM 0 HA LEU A 18 134.321 -2.695 1.936 1.00 0.34 H new ATOM 0 HB2 LEU A 18 135.949 -3.000 -0.537 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.840 -3.032 0.972 1.00 0.53 H new ATOM 0 HG LEU A 18 134.467 -4.821 0.362 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.132 -6.611 0.048 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.323 -5.314 -1.155 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.441 -5.419 0.225 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.271 -6.106 2.306 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.546 -4.893 2.575 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.834 -4.439 2.751 1.00 0.79 H new ATOM 303 N LEU A 19 136.068 -0.114 0.821 1.00 0.43 N ATOM 304 CA LEU A 19 136.789 1.088 1.226 1.00 0.44 C ATOM 305 C LEU A 19 135.881 2.020 2.028 1.00 0.30 C ATOM 306 O LEU A 19 136.345 2.716 2.933 1.00 0.45 O ATOM 307 CB LEU A 19 137.333 1.826 -0.004 1.00 0.57 C ATOM 308 CG LEU A 19 138.859 1.907 -0.094 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.305 1.988 -1.547 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.378 3.102 0.694 1.00 0.94 C ATOM 0 H LEU A 19 135.939 -0.206 -0.187 1.00 0.43 H new ATOM 0 HA LEU A 19 137.624 0.784 1.857 1.00 0.44 H new ATOM 0 HB2 LEU A 19 136.958 1.331 -0.900 1.00 0.57 H new ATOM 0 HB3 LEU A 19 136.931 2.839 -0.007 1.00 0.57 H new ATOM 0 HG LEU A 19 139.278 1.001 0.343 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.393 2.045 -1.591 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.966 1.101 -2.082 1.00 0.88 H new ATOM 0 HD13 LEU A 19 138.876 2.877 -2.010 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.465 3.143 0.619 1.00 0.94 H new ATOM 0 HD22 LEU A 19 138.951 4.019 0.288 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.091 3.000 1.741 1.00 0.94 H new ATOM 322 N ARG A 20 134.585 2.033 1.691 1.00 0.32 N ATOM 323 CA ARG A 20 133.628 2.889 2.387 1.00 0.50 C ATOM 324 C ARG A 20 133.475 2.464 3.846 1.00 0.40 C ATOM 325 O ARG A 20 133.766 3.252 4.748 1.00 0.47 O ATOM 326 CB ARG A 20 132.268 2.860 1.681 1.00 0.78 C ATOM 327 CG ARG A 20 132.226 3.704 0.416 1.00 0.89 C ATOM 328 CD ARG A 20 130.914 3.529 -0.332 1.00 0.98 C ATOM 329 NE ARG A 20 130.638 4.655 -1.225 1.00 1.06 N ATOM 330 CZ ARG A 20 130.114 5.818 -0.828 1.00 1.17 C ATOM 331 NH1 ARG A 20 129.803 6.021 0.451 1.00 1.74 N ATOM 332 NH2 ARG A 20 129.901 6.785 -1.714 1.00 1.60 N ATOM 0 H ARG A 20 134.182 1.464 0.947 1.00 0.32 H new ATOM 0 HA ARG A 20 134.012 3.909 2.366 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.019 1.829 1.429 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.501 3.214 2.370 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.361 4.754 0.674 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.056 3.427 -0.234 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.947 2.606 -0.911 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.099 3.426 0.384 1.00 0.98 H new ATOM 0 HE ARG A 20 130.860 4.545 -2.214 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.964 5.285 1.138 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.403 6.913 0.743 1.00 1.74 H new ATOM 0 HH21 ARG A 20 130.137 6.639 -2.695 1.00 1.60 H new ATOM 0 HH22 ARG A 20 129.501 7.674 -1.413 1.00 1.60 H new ATOM 346 N ARG A 21 133.009 1.229 4.086 1.00 0.36 N ATOM 347 CA ARG A 21 132.814 0.721 5.448 1.00 0.37 C ATOM 348 C ARG A 21 134.046 0.936 6.320 1.00 0.35 C ATOM 349 O ARG A 21 133.924 1.348 7.471 1.00 0.49 O ATOM 350 CB ARG A 21 132.476 -0.773 5.407 1.00 0.47 C ATOM 351 CG ARG A 21 131.117 -1.114 5.997 1.00 0.71 C ATOM 352 CD ARG A 21 130.748 -2.567 5.735 1.00 0.94 C ATOM 353 NE ARG A 21 131.244 -3.460 6.784 1.00 0.95 N ATOM 354 CZ ARG A 21 131.506 -4.758 6.603 1.00 1.19 C ATOM 355 NH1 ARG A 21 131.324 -5.327 5.414 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.953 -5.492 7.617 1.00 1.50 N ATOM 0 H ARG A 21 132.761 0.565 3.353 1.00 0.36 H new ATOM 0 HA ARG A 21 131.988 1.280 5.888 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.508 -1.114 4.372 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.245 -1.324 5.948 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.127 -0.927 7.071 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.358 -0.461 5.567 1.00 0.71 H new ATOM 0 HD2 ARG A 21 129.664 -2.658 5.665 1.00 0.94 H new ATOM 0 HD3 ARG A 21 131.157 -2.876 4.773 1.00 0.94 H new ATOM 0 HE ARG A 21 131.399 -3.066 7.712 1.00 0.95 H new ATOM 0 HH11 ARG A 21 130.981 -4.772 4.630 1.00 2.03 H new ATOM 0 HH12 ARG A 21 131.527 -6.318 5.287 1.00 2.03 H new ATOM 0 HH21 ARG A 21 132.096 -5.065 8.532 1.00 1.50 H new ATOM 0 HH22 ARG A 21 132.153 -6.483 7.480 1.00 1.50 H new ATOM 370 N LYS A 22 135.229 0.651 5.771 1.00 0.33 N ATOM 371 CA LYS A 22 136.476 0.817 6.515 1.00 0.41 C ATOM 372 C LYS A 22 136.569 2.223 7.106 1.00 0.34 C ATOM 373 O LYS A 22 136.772 2.386 8.311 1.00 0.36 O ATOM 374 CB LYS A 22 137.684 0.546 5.613 1.00 0.56 C ATOM 375 CG LYS A 22 138.984 0.356 6.380 1.00 0.77 C ATOM 376 CD LYS A 22 140.057 -0.286 5.514 1.00 0.95 C ATOM 377 CE LYS A 22 141.310 0.576 5.440 1.00 0.76 C ATOM 378 NZ LYS A 22 142.461 -0.036 6.165 1.00 0.71 N ATOM 0 H LYS A 22 135.348 0.306 4.819 1.00 0.33 H new ATOM 0 HA LYS A 22 136.480 0.094 7.331 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.490 -0.346 5.017 1.00 0.56 H new ATOM 0 HB3 LYS A 22 137.801 1.376 4.916 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.338 1.321 6.742 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.802 -0.266 7.256 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.312 -1.266 5.917 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.666 -0.447 4.509 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.581 0.730 4.396 1.00 0.76 H new ATOM 0 HE3 LYS A 22 141.098 1.558 5.862 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.291 0.586 6.087 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.214 -0.159 7.168 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.682 -0.962 5.747 1.00 0.71 H new ATOM 392 N ASP A 23 136.421 3.236 6.247 1.00 0.34 N ATOM 393 CA ASP A 23 136.491 4.633 6.674 1.00 0.32 C ATOM 394 C ASP A 23 135.345 5.013 7.618 1.00 0.29 C ATOM 395 O ASP A 23 135.458 5.994 8.357 1.00 0.34 O ATOM 396 CB ASP A 23 136.482 5.557 5.452 1.00 0.37 C ATOM 397 CG ASP A 23 137.847 5.664 4.799 1.00 0.78 C ATOM 398 OD1 ASP A 23 138.188 4.780 3.985 1.00 1.17 O ATOM 399 OD2 ASP A 23 138.577 6.631 5.104 1.00 1.15 O ATOM 0 H ASP A 23 136.251 3.112 5.249 1.00 0.34 H new ATOM 0 HA ASP A 23 137.424 4.754 7.225 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.762 5.185 4.723 1.00 0.37 H new ATOM 0 HB3 ASP A 23 136.147 6.550 5.753 1.00 0.37 H new ATOM 404 N THR A 24 134.251 4.241 7.613 1.00 0.27 N ATOM 405 CA THR A 24 133.111 4.516 8.491 1.00 0.28 C ATOM 406 C THR A 24 133.252 3.783 9.829 1.00 0.27 C ATOM 407 O THR A 24 132.772 4.261 10.857 1.00 0.32 O ATOM 408 CB THR A 24 131.799 4.107 7.806 1.00 0.31 C ATOM 409 OG1 THR A 24 131.637 4.794 6.576 1.00 0.52 O ATOM 410 CG2 THR A 24 130.568 4.377 8.649 1.00 0.53 C ATOM 0 H THR A 24 134.133 3.425 7.013 1.00 0.27 H new ATOM 0 HA THR A 24 133.093 5.588 8.689 1.00 0.28 H new ATOM 0 HB THR A 24 131.882 3.031 7.650 1.00 0.31 H new ATOM 0 HG1 THR A 24 132.268 4.438 5.917 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.678 4.064 8.104 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.637 3.819 9.583 1.00 0.53 H new ATOM 0 HG23 THR A 24 130.503 5.443 8.868 1.00 0.53 H new ATOM 418 N HIS A 25 133.921 2.626 9.808 1.00 0.27 N ATOM 419 CA HIS A 25 134.134 1.837 11.020 1.00 0.31 C ATOM 420 C HIS A 25 135.135 2.537 11.933 1.00 0.33 C ATOM 421 O HIS A 25 134.918 2.645 13.140 1.00 0.43 O ATOM 422 CB HIS A 25 134.630 0.431 10.670 1.00 0.37 C ATOM 423 CG HIS A 25 134.262 -0.607 11.687 1.00 0.38 C ATOM 424 ND1 HIS A 25 135.036 -0.883 12.795 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.196 -1.439 11.758 1.00 0.92 C ATOM 426 CE1 HIS A 25 134.462 -1.840 13.502 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.344 -2.194 12.895 1.00 0.75 N ATOM 0 H HIS A 25 134.323 2.217 8.964 1.00 0.27 H new ATOM 0 HA HIS A 25 133.182 1.745 11.543 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.220 0.141 9.703 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.714 0.454 10.563 1.00 0.37 H new ATOM 0 HD2 HIS A 25 132.381 -1.498 11.052 1.00 0.92 H new ATOM 0 HE1 HIS A 25 134.843 -2.261 14.421 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.696 -2.912 13.218 1.00 0.75 H new ATOM 436 N ILE A 26 136.221 3.037 11.337 1.00 0.31 N ATOM 437 CA ILE A 26 137.249 3.759 12.086 1.00 0.35 C ATOM 438 C ILE A 26 136.698 5.081 12.631 1.00 0.34 C ATOM 439 O ILE A 26 137.245 5.646 13.580 1.00 0.46 O ATOM 440 CB ILE A 26 138.498 4.042 11.218 1.00 0.42 C ATOM 441 CG1 ILE A 26 138.114 4.801 9.941 1.00 0.40 C ATOM 442 CG2 ILE A 26 139.208 2.741 10.872 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.728 6.182 9.846 1.00 0.68 C ATOM 0 H ILE A 26 136.410 2.954 10.338 1.00 0.31 H new ATOM 0 HA ILE A 26 137.545 3.119 12.918 1.00 0.35 H new ATOM 0 HB ILE A 26 139.180 4.668 11.793 1.00 0.42 H new ATOM 0 HG12 ILE A 26 138.422 4.216 9.075 1.00 0.40 H new ATOM 0 HG13 ILE A 26 137.029 4.892 9.895 1.00 0.40 H new ATOM 0 HG21 ILE A 26 140.085 2.956 10.261 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.519 2.241 11.789 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.530 2.093 10.317 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.412 6.658 8.918 1.00 0.68 H new ATOM 0 HD12 ILE A 26 138.400 6.785 10.693 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.815 6.099 9.859 1.00 0.68 H new ATOM 455 N ARG A 27 135.600 5.560 12.030 1.00 0.29 N ATOM 456 CA ARG A 27 134.956 6.799 12.454 1.00 0.35 C ATOM 457 C ARG A 27 133.954 6.524 13.577 1.00 0.34 C ATOM 458 O ARG A 27 133.912 7.251 14.571 1.00 0.39 O ATOM 459 CB ARG A 27 134.251 7.459 11.264 1.00 0.44 C ATOM 460 CG ARG A 27 133.810 8.890 11.526 1.00 0.52 C ATOM 461 CD ARG A 27 132.888 9.397 10.427 1.00 0.81 C ATOM 462 NE ARG A 27 131.700 10.061 10.964 1.00 0.91 N ATOM 463 CZ ARG A 27 130.637 9.417 11.455 1.00 0.92 C ATOM 464 NH1 ARG A 27 130.600 8.086 11.476 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.605 10.109 11.926 1.00 1.68 N ATOM 0 H ARG A 27 135.141 5.100 11.244 1.00 0.29 H new ATOM 0 HA ARG A 27 135.721 7.478 12.832 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.922 7.447 10.405 1.00 0.44 H new ATOM 0 HB3 ARG A 27 133.378 6.864 10.995 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.298 8.944 12.487 1.00 0.52 H new ATOM 0 HG3 ARG A 27 134.686 9.535 11.595 1.00 0.52 H new ATOM 0 HD2 ARG A 27 133.434 10.093 9.790 1.00 0.81 H new ATOM 0 HD3 ARG A 27 132.582 8.561 9.798 1.00 0.81 H new ATOM 0 HE ARG A 27 131.682 11.081 10.964 1.00 0.91 H new ATOM 0 HH11 ARG A 27 131.388 7.548 11.115 1.00 1.19 H new ATOM 0 HH12 ARG A 27 129.784 7.604 11.853 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.626 11.129 11.912 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.792 9.620 12.301 1.00 1.68 H new ATOM 479 N GLU A 28 133.158 5.459 13.418 1.00 0.33 N ATOM 480 CA GLU A 28 132.168 5.075 14.424 1.00 0.38 C ATOM 481 C GLU A 28 132.871 4.648 15.715 1.00 0.37 C ATOM 482 O GLU A 28 132.506 5.092 16.805 1.00 0.47 O ATOM 483 CB GLU A 28 131.250 3.962 13.874 1.00 0.48 C ATOM 484 CG GLU A 28 131.179 2.690 14.718 1.00 0.81 C ATOM 485 CD GLU A 28 131.893 1.516 14.071 1.00 1.22 C ATOM 486 OE1 GLU A 28 131.413 1.031 13.025 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.931 1.080 14.611 1.00 1.85 O ATOM 0 H GLU A 28 133.183 4.850 12.601 1.00 0.33 H new ATOM 0 HA GLU A 28 131.538 5.933 14.657 1.00 0.38 H new ATOM 0 HB2 GLU A 28 130.242 4.365 13.770 1.00 0.48 H new ATOM 0 HB3 GLU A 28 131.591 3.695 12.874 1.00 0.48 H new ATOM 0 HG2 GLU A 28 131.619 2.883 15.696 1.00 0.81 H new ATOM 0 HG3 GLU A 28 130.134 2.427 14.885 1.00 0.81 H new ATOM 494 N LEU A 29 133.889 3.791 15.578 1.00 0.34 N ATOM 495 CA LEU A 29 134.662 3.308 16.725 1.00 0.38 C ATOM 496 C LEU A 29 135.428 4.449 17.409 1.00 0.42 C ATOM 497 O LEU A 29 135.913 4.291 18.530 1.00 0.80 O ATOM 498 CB LEU A 29 135.643 2.217 16.279 1.00 0.48 C ATOM 499 CG LEU A 29 135.895 1.107 17.304 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.985 -0.084 17.039 1.00 0.84 C ATOM 501 CD2 LEU A 29 137.356 0.680 17.277 1.00 0.58 C ATOM 0 H LEU A 29 134.197 3.417 14.680 1.00 0.34 H new ATOM 0 HA LEU A 29 133.959 2.892 17.447 1.00 0.38 H new ATOM 0 HB2 LEU A 29 135.265 1.764 15.362 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.596 2.686 16.034 1.00 0.48 H new ATOM 0 HG LEU A 29 135.668 1.497 18.296 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.179 -0.862 17.778 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.944 0.231 17.109 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.179 -0.475 16.040 1.00 0.84 H new ATOM 0 HD21 LEU A 29 137.518 -0.109 18.011 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.608 0.309 16.284 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.989 1.534 17.517 1.00 0.58 H new ATOM 513 N GLU A 30 135.527 5.600 16.732 1.00 0.42 N ATOM 514 CA GLU A 30 136.223 6.761 17.282 1.00 0.46 C ATOM 515 C GLU A 30 135.344 7.505 18.290 1.00 0.46 C ATOM 516 O GLU A 30 135.853 8.117 19.229 1.00 0.61 O ATOM 517 CB GLU A 30 136.651 7.714 16.160 1.00 0.51 C ATOM 518 CG GLU A 30 138.133 8.060 16.185 1.00 0.57 C ATOM 519 CD GLU A 30 138.586 8.610 17.526 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.348 9.808 17.789 1.00 1.24 O ATOM 521 OE2 GLU A 30 139.178 7.842 18.314 1.00 1.33 O ATOM 0 H GLU A 30 135.133 5.748 15.803 1.00 0.42 H new ATOM 0 HA GLU A 30 137.112 6.400 17.800 1.00 0.46 H new ATOM 0 HB2 GLU A 30 136.409 7.262 15.198 1.00 0.51 H new ATOM 0 HB3 GLU A 30 136.071 8.634 16.235 1.00 0.51 H new ATOM 0 HG2 GLU A 30 138.714 7.168 15.948 1.00 0.57 H new ATOM 0 HG3 GLU A 30 138.343 8.794 15.407 1.00 0.57 H new ATOM 528 N ASP A 31 134.022 7.436 18.098 1.00 0.43 N ATOM 529 CA ASP A 31 133.072 8.089 18.998 1.00 0.58 C ATOM 530 C ASP A 31 132.665 7.145 20.131 1.00 0.59 C ATOM 531 O ASP A 31 132.463 7.577 21.268 1.00 0.78 O ATOM 532 CB ASP A 31 131.830 8.543 18.225 1.00 0.71 C ATOM 533 CG ASP A 31 130.974 9.512 19.019 1.00 1.27 C ATOM 534 OD1 ASP A 31 131.260 10.727 18.980 1.00 1.73 O ATOM 535 OD2 ASP A 31 130.018 9.055 19.681 1.00 1.65 O ATOM 0 H ASP A 31 133.587 6.933 17.325 1.00 0.43 H new ATOM 0 HA ASP A 31 133.559 8.963 19.430 1.00 0.58 H new ATOM 0 HB2 ASP A 31 132.139 9.016 17.293 1.00 0.71 H new ATOM 0 HB3 ASP A 31 131.233 7.671 17.958 1.00 0.71 H new ATOM 540 N TYR A 32 132.556 5.854 19.807 1.00 0.51 N ATOM 541 CA TYR A 32 132.183 4.840 20.792 1.00 0.56 C ATOM 542 C TYR A 32 133.236 4.752 21.896 1.00 0.55 C ATOM 543 O TYR A 32 132.900 4.691 23.080 1.00 0.64 O ATOM 544 CB TYR A 32 132.002 3.474 20.122 1.00 0.61 C ATOM 545 CG TYR A 32 131.436 2.415 21.044 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.267 2.643 21.760 1.00 1.15 C ATOM 547 CD2 TYR A 32 132.071 1.188 21.199 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.747 1.680 22.603 1.00 1.38 C ATOM 549 CE2 TYR A 32 131.557 0.221 22.041 1.00 1.19 C ATOM 550 CZ TYR A 32 130.396 0.472 22.740 1.00 1.23 C ATOM 551 OH TYR A 32 129.883 -0.488 23.580 1.00 1.55 O ATOM 0 H TYR A 32 132.721 5.488 18.869 1.00 0.51 H new ATOM 0 HA TYR A 32 131.233 5.134 21.239 1.00 0.56 H new ATOM 0 HB2 TYR A 32 131.341 3.585 19.262 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.966 3.135 19.742 1.00 0.61 H new ATOM 0 HD1 TYR A 32 129.756 3.589 21.656 1.00 1.15 H new ATOM 0 HD2 TYR A 32 132.981 0.988 20.652 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.837 1.873 23.152 1.00 1.38 H new ATOM 0 HE2 TYR A 32 132.062 -0.727 22.151 1.00 1.19 H new ATOM 0 HH TYR A 32 130.459 -1.281 23.562 1.00 1.55 H new ATOM 561 N ILE A 33 134.511 4.759 21.499 1.00 0.53 N ATOM 562 CA ILE A 33 135.616 4.695 22.453 1.00 0.62 C ATOM 563 C ILE A 33 135.769 6.022 23.201 1.00 0.58 C ATOM 564 O ILE A 33 136.143 6.037 24.376 1.00 0.77 O ATOM 565 CB ILE A 33 136.949 4.340 21.754 1.00 0.75 C ATOM 566 CG1 ILE A 33 136.875 2.935 21.147 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.114 4.436 22.733 1.00 0.94 C ATOM 568 CD1 ILE A 33 137.990 2.639 20.167 1.00 0.85 C ATOM 0 H ILE A 33 134.802 4.808 20.523 1.00 0.53 H new ATOM 0 HA ILE A 33 135.378 3.906 23.167 1.00 0.62 H new ATOM 0 HB ILE A 33 137.117 5.058 20.951 1.00 0.75 H new ATOM 0 HG12 ILE A 33 136.904 2.199 21.951 1.00 0.82 H new ATOM 0 HG13 ILE A 33 135.917 2.817 20.641 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.042 4.182 22.220 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.180 5.452 23.121 1.00 0.94 H new ATOM 0 HG23 ILE A 33 137.954 3.742 23.558 1.00 0.94 H new ATOM 0 HD11 ILE A 33 137.873 1.628 19.778 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.949 3.352 19.343 1.00 0.85 H new ATOM 0 HD13 ILE A 33 138.952 2.724 20.673 1.00 0.85 H new ATOM 580 N ASP A 34 135.492 7.135 22.508 1.00 0.49 N ATOM 581 CA ASP A 34 135.609 8.474 23.095 1.00 0.54 C ATOM 582 C ASP A 34 134.786 8.638 24.380 1.00 0.44 C ATOM 583 O ASP A 34 134.989 9.609 25.108 1.00 0.47 O ATOM 584 CB ASP A 34 135.188 9.542 22.080 1.00 0.75 C ATOM 585 CG ASP A 34 135.798 10.899 22.383 1.00 0.90 C ATOM 586 OD1 ASP A 34 137.018 11.064 22.166 1.00 1.42 O ATOM 587 OD2 ASP A 34 135.059 11.796 22.838 1.00 1.49 O ATOM 0 H ASP A 34 135.184 7.132 21.536 1.00 0.49 H new ATOM 0 HA ASP A 34 136.658 8.603 23.360 1.00 0.54 H new ATOM 0 HB2 ASP A 34 135.487 9.227 21.080 1.00 0.75 H new ATOM 0 HB3 ASP A 34 134.101 9.628 22.076 1.00 0.75 H new ATOM 592 N ASN A 35 133.865 7.699 24.657 1.00 0.53 N ATOM 593 CA ASN A 35 133.021 7.748 25.860 1.00 0.57 C ATOM 594 C ASN A 35 133.783 8.282 27.073 1.00 0.47 C ATOM 595 O ASN A 35 133.233 9.053 27.862 1.00 0.58 O ATOM 596 CB ASN A 35 132.463 6.355 26.171 1.00 0.74 C ATOM 597 CG ASN A 35 130.994 6.226 25.813 1.00 0.88 C ATOM 598 OD1 ASN A 35 130.140 6.102 26.691 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.689 6.256 24.519 1.00 1.32 N ATOM 0 H ASN A 35 133.687 6.892 24.059 1.00 0.53 H new ATOM 0 HA ASN A 35 132.200 8.435 25.654 1.00 0.57 H new ATOM 0 HB2 ASN A 35 133.035 5.607 25.622 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.596 6.142 27.232 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.717 6.175 24.222 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.428 6.360 23.823 1.00 1.32 H new ATOM 606 N LEU A 36 135.052 7.878 27.208 1.00 0.42 N ATOM 607 CA LEU A 36 135.894 8.332 28.316 1.00 0.47 C ATOM 608 C LEU A 36 135.799 9.850 28.466 1.00 0.42 C ATOM 609 O LEU A 36 135.466 10.356 29.539 1.00 0.53 O ATOM 610 CB LEU A 36 137.357 7.922 28.093 1.00 0.66 C ATOM 611 CG LEU A 36 137.584 6.450 27.731 1.00 0.85 C ATOM 612 CD1 LEU A 36 139.024 6.226 27.293 1.00 1.04 C ATOM 613 CD2 LEU A 36 137.234 5.547 28.907 1.00 1.66 C ATOM 0 H LEU A 36 135.516 7.238 26.563 1.00 0.42 H new ATOM 0 HA LEU A 36 135.535 7.859 29.230 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.772 8.541 27.298 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.921 8.146 28.999 1.00 0.66 H new ATOM 0 HG LEU A 36 136.927 6.195 26.899 1.00 0.85 H new ATOM 0 HD11 LEU A 36 139.168 5.176 27.040 1.00 1.04 H new ATOM 0 HD12 LEU A 36 139.239 6.843 26.420 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.698 6.499 28.105 1.00 1.04 H new ATOM 0 HD21 LEU A 36 137.402 4.506 28.629 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.863 5.801 29.760 1.00 1.66 H new ATOM 0 HD23 LEU A 36 136.186 5.687 29.174 1.00 1.66 H new ATOM 625 N LEU A 37 136.076 10.567 27.374 1.00 0.36 N ATOM 626 CA LEU A 37 136.004 12.025 27.370 1.00 0.40 C ATOM 627 C LEU A 37 134.992 12.523 26.329 1.00 0.32 C ATOM 628 O LEU A 37 135.340 13.285 25.423 1.00 0.42 O ATOM 629 CB LEU A 37 137.391 12.625 27.100 1.00 0.56 C ATOM 630 CG LEU A 37 138.133 12.049 25.888 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.845 13.155 25.123 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.122 10.977 26.327 1.00 0.63 C ATOM 0 H LEU A 37 136.352 10.158 26.481 1.00 0.36 H new ATOM 0 HA LEU A 37 135.665 12.352 28.353 1.00 0.40 H new ATOM 0 HB2 LEU A 37 137.282 13.700 26.960 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.009 12.480 27.986 1.00 0.56 H new ATOM 0 HG LEU A 37 137.402 11.589 25.223 1.00 0.55 H new ATOM 0 HD11 LEU A 37 139.366 12.728 24.266 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.114 13.886 24.776 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.565 13.645 25.778 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.639 10.580 25.454 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.849 11.412 27.013 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.586 10.171 26.829 1.00 0.63 H new ATOM 644 N VAL A 38 133.734 12.092 26.473 1.00 0.29 N ATOM 645 CA VAL A 38 132.666 12.494 25.554 1.00 0.41 C ATOM 646 C VAL A 38 131.374 12.822 26.315 1.00 0.38 C ATOM 647 O VAL A 38 131.325 12.721 27.543 1.00 0.61 O ATOM 648 CB VAL A 38 132.392 11.392 24.495 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.324 10.413 24.969 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.999 12.011 23.159 1.00 0.99 C ATOM 0 H VAL A 38 133.431 11.464 27.218 1.00 0.29 H new ATOM 0 HA VAL A 38 133.004 13.393 25.039 1.00 0.41 H new ATOM 0 HB VAL A 38 133.317 10.832 24.357 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.158 9.656 24.202 1.00 0.97 H new ATOM 0 HG12 VAL A 38 131.655 9.931 25.889 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.394 10.951 25.155 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.812 11.220 22.433 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.096 12.608 23.286 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.808 12.648 22.801 1.00 0.99 H new ATOM 660 N ARG A 39 130.328 13.202 25.575 1.00 0.44 N ATOM 661 CA ARG A 39 129.036 13.531 26.172 1.00 0.47 C ATOM 662 C ARG A 39 128.396 12.283 26.783 1.00 0.53 C ATOM 663 O ARG A 39 128.042 11.342 26.069 1.00 0.86 O ATOM 664 CB ARG A 39 128.111 14.155 25.112 1.00 0.59 C ATOM 665 CG ARG A 39 126.620 14.050 25.426 1.00 0.75 C ATOM 666 CD ARG A 39 126.281 14.605 26.805 1.00 0.97 C ATOM 667 NE ARG A 39 126.961 15.872 27.081 1.00 0.93 N ATOM 668 CZ ARG A 39 127.235 16.323 28.308 1.00 1.00 C ATOM 669 NH1 ARG A 39 126.874 15.624 29.382 1.00 1.27 N ATOM 670 NH2 ARG A 39 127.869 17.481 28.461 1.00 1.48 N ATOM 0 H ARG A 39 130.354 13.289 24.559 1.00 0.44 H new ATOM 0 HA ARG A 39 129.190 14.257 26.970 1.00 0.47 H new ATOM 0 HB2 ARG A 39 128.371 15.207 24.996 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.302 13.672 24.153 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.052 14.591 24.669 1.00 0.75 H new ATOM 0 HG3 ARG A 39 126.311 13.006 25.371 1.00 0.75 H new ATOM 0 HD2 ARG A 39 125.203 14.751 26.880 1.00 0.97 H new ATOM 0 HD3 ARG A 39 126.557 13.875 27.565 1.00 0.97 H new ATOM 0 HE ARG A 39 127.243 16.446 26.287 1.00 0.93 H new ATOM 0 HH11 ARG A 39 126.384 14.736 29.272 1.00 1.27 H new ATOM 0 HH12 ARG A 39 127.087 15.976 30.315 1.00 1.27 H new ATOM 0 HH21 ARG A 39 128.145 18.023 27.642 1.00 1.48 H new ATOM 0 HH22 ARG A 39 128.079 17.827 29.397 1.00 1.48 H new ATOM 684 N VAL A 40 128.261 12.283 28.110 1.00 0.46 N ATOM 685 CA VAL A 40 127.673 11.152 28.826 1.00 0.53 C ATOM 686 C VAL A 40 126.244 11.453 29.278 1.00 0.53 C ATOM 687 O VAL A 40 125.855 12.616 29.410 1.00 0.66 O ATOM 688 CB VAL A 40 128.521 10.756 30.057 1.00 0.64 C ATOM 689 CG1 VAL A 40 129.858 10.174 29.620 1.00 0.71 C ATOM 690 CG2 VAL A 40 128.728 11.949 30.984 1.00 0.78 C ATOM 0 H VAL A 40 128.551 13.055 28.710 1.00 0.46 H new ATOM 0 HA VAL A 40 127.655 10.319 28.124 1.00 0.53 H new ATOM 0 HB VAL A 40 127.978 9.991 30.611 1.00 0.64 H new ATOM 0 HG11 VAL A 40 130.441 9.901 30.500 1.00 0.71 H new ATOM 0 HG12 VAL A 40 129.687 9.288 29.009 1.00 0.71 H new ATOM 0 HG13 VAL A 40 130.405 10.916 29.038 1.00 0.71 H new ATOM 0 HG21 VAL A 40 129.327 11.644 31.842 1.00 0.78 H new ATOM 0 HG22 VAL A 40 129.244 12.743 30.445 1.00 0.78 H new ATOM 0 HG23 VAL A 40 127.761 12.314 31.329 1.00 0.78 H new ATOM 700 N MET A 41 125.469 10.394 29.514 1.00 0.53 N ATOM 701 CA MET A 41 124.081 10.531 29.953 1.00 0.60 C ATOM 702 C MET A 41 123.825 9.706 31.212 1.00 0.86 C ATOM 703 O MET A 41 123.001 10.073 32.050 1.00 1.20 O ATOM 704 CB MET A 41 123.121 10.099 28.838 1.00 0.75 C ATOM 705 CG MET A 41 123.384 8.697 28.307 1.00 0.56 C ATOM 706 SD MET A 41 122.301 8.260 26.933 1.00 0.67 S ATOM 707 CE MET A 41 123.036 9.210 25.605 1.00 0.54 C ATOM 0 H MET A 41 125.781 9.429 29.408 1.00 0.53 H new ATOM 0 HA MET A 41 123.903 11.581 30.185 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.099 10.149 29.212 1.00 0.75 H new ATOM 0 HB3 MET A 41 123.194 10.809 28.014 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.422 8.624 27.983 1.00 0.56 H new ATOM 0 HG3 MET A 41 123.250 7.976 29.114 1.00 0.56 H new ATOM 0 HE1 MET A 41 122.605 8.899 24.653 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.839 10.270 25.764 1.00 0.54 H new ATOM 0 HE3 MET A 41 124.112 9.040 25.588 1.00 0.54 H new ATOM 718 N GLY B 1 134.791 4.624 -27.392 1.00 0.61 N ATOM 719 CA GLY B 1 136.177 4.291 -27.828 1.00 0.61 C ATOM 720 C GLY B 1 136.871 3.331 -26.880 1.00 0.52 C ATOM 721 O GLY B 1 137.125 2.177 -27.234 1.00 0.60 O ATOM 0 H1 GLY B 1 134.362 5.282 -28.073 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.223 3.754 -27.346 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.820 5.068 -26.452 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.145 3.852 -28.825 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.761 5.208 -27.902 1.00 0.61 H new ATOM 727 N SER B 2 137.180 3.809 -25.674 1.00 0.50 N ATOM 728 CA SER B 2 137.852 2.988 -24.666 1.00 0.49 C ATOM 729 C SER B 2 136.883 2.481 -23.601 1.00 0.47 C ATOM 730 O SER B 2 137.249 1.612 -22.817 1.00 0.63 O ATOM 731 CB SER B 2 138.990 3.773 -24.009 1.00 0.55 C ATOM 732 OG SER B 2 140.057 3.982 -24.918 1.00 0.67 O ATOM 0 H SER B 2 136.975 4.761 -25.371 1.00 0.50 H new ATOM 0 HA SER B 2 138.263 2.119 -25.179 1.00 0.49 H new ATOM 0 HB2 SER B 2 138.616 4.734 -23.655 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.353 3.231 -23.136 1.00 0.55 H new ATOM 0 HG SER B 2 140.770 4.487 -24.475 1.00 0.67 H new ATOM 738 N LEU B 3 135.646 2.996 -23.585 1.00 0.48 N ATOM 739 CA LEU B 3 134.645 2.540 -22.618 1.00 0.55 C ATOM 740 C LEU B 3 134.250 1.104 -22.963 1.00 0.65 C ATOM 741 O LEU B 3 133.183 0.850 -23.525 1.00 1.02 O ATOM 742 CB LEU B 3 133.417 3.461 -22.634 1.00 0.62 C ATOM 743 CG LEU B 3 133.623 4.835 -21.987 1.00 0.61 C ATOM 744 CD1 LEU B 3 134.414 5.753 -22.910 1.00 0.61 C ATOM 745 CD2 LEU B 3 132.281 5.461 -21.630 1.00 0.76 C ATOM 0 H LEU B 3 135.319 3.721 -24.224 1.00 0.48 H new ATOM 0 HA LEU B 3 135.065 2.571 -21.613 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.106 3.607 -23.668 1.00 0.62 H new ATOM 0 HB3 LEU B 3 132.597 2.956 -22.123 1.00 0.62 H new ATOM 0 HG LEU B 3 134.196 4.700 -21.070 1.00 0.61 H new ATOM 0 HD11 LEU B 3 134.548 6.723 -22.431 1.00 0.61 H new ATOM 0 HD12 LEU B 3 135.389 5.311 -23.114 1.00 0.61 H new ATOM 0 HD13 LEU B 3 133.871 5.883 -23.846 1.00 0.61 H new ATOM 0 HD21 LEU B 3 132.445 6.436 -21.172 1.00 0.76 H new ATOM 0 HD22 LEU B 3 131.683 5.581 -22.534 1.00 0.76 H new ATOM 0 HD23 LEU B 3 131.753 4.815 -20.929 1.00 0.76 H new ATOM 757 N THR B 4 135.165 0.179 -22.672 1.00 0.46 N ATOM 758 CA THR B 4 134.987 -1.231 -22.992 1.00 0.55 C ATOM 759 C THR B 4 135.405 -2.144 -21.828 1.00 0.42 C ATOM 760 O THR B 4 135.442 -1.724 -20.670 1.00 0.43 O ATOM 761 CB THR B 4 135.781 -1.570 -24.265 1.00 0.72 C ATOM 762 OG1 THR B 4 137.179 -1.492 -24.031 1.00 0.70 O ATOM 763 CG2 THR B 4 135.460 -0.662 -25.434 1.00 0.90 C ATOM 0 H THR B 4 136.049 0.389 -22.208 1.00 0.46 H new ATOM 0 HA THR B 4 133.926 -1.410 -23.166 1.00 0.55 H new ATOM 0 HB THR B 4 135.483 -2.587 -24.521 1.00 0.72 H new ATOM 0 HG1 THR B 4 137.396 -0.625 -23.630 1.00 0.70 H new ATOM 0 HG21 THR B 4 136.055 -0.957 -26.298 1.00 0.90 H new ATOM 0 HG22 THR B 4 134.401 -0.744 -25.678 1.00 0.90 H new ATOM 0 HG23 THR B 4 135.693 0.369 -25.168 1.00 0.90 H new ATOM 771 N TYR B 5 135.722 -3.394 -22.169 1.00 0.50 N ATOM 772 CA TYR B 5 136.148 -4.400 -21.192 1.00 0.45 C ATOM 773 C TYR B 5 137.614 -4.205 -20.792 1.00 0.41 C ATOM 774 O TYR B 5 137.978 -4.409 -19.632 1.00 0.46 O ATOM 775 CB TYR B 5 135.942 -5.810 -21.758 1.00 0.57 C ATOM 776 CG TYR B 5 136.421 -6.922 -20.843 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.172 -6.883 -19.475 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.121 -8.011 -21.349 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.606 -7.894 -18.640 1.00 0.69 C ATOM 780 CE2 TYR B 5 137.558 -9.026 -20.519 1.00 0.92 C ATOM 781 CZ TYR B 5 137.299 -8.963 -19.166 1.00 0.67 C ATOM 782 OH TYR B 5 137.734 -9.973 -18.337 1.00 0.84 O ATOM 0 H TYR B 5 135.691 -3.738 -23.129 1.00 0.50 H new ATOM 0 HA TYR B 5 135.535 -4.278 -20.299 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.882 -5.956 -21.964 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.466 -5.887 -22.711 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.630 -6.047 -19.058 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.327 -8.065 -22.408 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.403 -7.847 -17.580 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.100 -9.865 -20.929 1.00 0.92 H new ATOM 0 HH TYR B 5 138.204 -10.651 -18.866 1.00 0.84 H new ATOM 792 N GLU B 6 138.452 -3.809 -21.754 1.00 0.49 N ATOM 793 CA GLU B 6 139.876 -3.587 -21.495 1.00 0.50 C ATOM 794 C GLU B 6 140.112 -2.323 -20.658 1.00 0.38 C ATOM 795 O GLU B 6 141.211 -2.117 -20.139 1.00 0.44 O ATOM 796 CB GLU B 6 140.647 -3.486 -22.813 1.00 0.62 C ATOM 797 CG GLU B 6 141.616 -4.635 -23.040 1.00 0.68 C ATOM 798 CD GLU B 6 142.516 -4.411 -24.240 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.601 -3.817 -24.065 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.136 -4.830 -25.354 1.00 1.14 O ATOM 0 H GLU B 6 138.169 -3.636 -22.718 1.00 0.49 H new ATOM 0 HA GLU B 6 140.240 -4.442 -20.925 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.936 -3.453 -23.639 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.200 -2.547 -22.830 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.230 -4.768 -22.150 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.053 -5.558 -23.180 1.00 0.68 H new ATOM 807 N GLU B 7 139.077 -1.489 -20.518 1.00 0.32 N ATOM 808 CA GLU B 7 139.180 -0.262 -19.734 1.00 0.29 C ATOM 809 C GLU B 7 138.881 -0.530 -18.262 1.00 0.27 C ATOM 810 O GLU B 7 139.512 0.058 -17.381 1.00 0.43 O ATOM 811 CB GLU B 7 138.226 0.798 -20.280 1.00 0.43 C ATOM 812 CG GLU B 7 138.339 2.149 -19.590 1.00 0.57 C ATOM 813 CD GLU B 7 137.113 3.015 -19.805 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.111 2.814 -19.088 1.00 1.00 O ATOM 815 OE2 GLU B 7 137.152 3.892 -20.693 1.00 0.80 O ATOM 0 H GLU B 7 138.161 -1.644 -20.938 1.00 0.32 H new ATOM 0 HA GLU B 7 140.202 0.107 -19.814 1.00 0.29 H new ATOM 0 HB2 GLU B 7 138.416 0.929 -21.345 1.00 0.43 H new ATOM 0 HB3 GLU B 7 137.203 0.436 -20.181 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.489 1.996 -18.521 1.00 0.57 H new ATOM 0 HG3 GLU B 7 139.219 2.672 -19.964 1.00 0.57 H new ATOM 822 N VAL B 8 137.929 -1.430 -17.996 1.00 0.35 N ATOM 823 CA VAL B 8 137.567 -1.780 -16.628 1.00 0.37 C ATOM 824 C VAL B 8 138.747 -2.439 -15.909 1.00 0.28 C ATOM 825 O VAL B 8 138.945 -2.232 -14.711 1.00 0.40 O ATOM 826 CB VAL B 8 136.330 -2.714 -16.599 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.728 -4.180 -16.728 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.512 -2.485 -15.336 1.00 0.78 C ATOM 0 H VAL B 8 137.399 -1.926 -18.712 1.00 0.35 H new ATOM 0 HA VAL B 8 137.310 -0.859 -16.105 1.00 0.37 H new ATOM 0 HB VAL B 8 135.711 -2.466 -17.461 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.834 -4.803 -16.704 1.00 0.44 H new ATOM 0 HG12 VAL B 8 137.251 -4.333 -17.672 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.383 -4.453 -15.901 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.649 -3.151 -15.336 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.129 -2.690 -14.461 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.172 -1.450 -15.305 1.00 0.78 H new ATOM 838 N LEU B 9 139.527 -3.231 -16.656 1.00 0.35 N ATOM 839 CA LEU B 9 140.692 -3.919 -16.102 1.00 0.49 C ATOM 840 C LEU B 9 141.607 -2.938 -15.369 1.00 0.52 C ATOM 841 O LEU B 9 141.959 -3.163 -14.211 1.00 0.74 O ATOM 842 CB LEU B 9 141.472 -4.629 -17.213 1.00 0.65 C ATOM 843 CG LEU B 9 140.781 -5.857 -17.813 1.00 0.65 C ATOM 844 CD1 LEU B 9 141.459 -6.273 -19.110 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.776 -7.010 -16.817 1.00 0.76 C ATOM 0 H LEU B 9 139.369 -3.409 -17.648 1.00 0.35 H new ATOM 0 HA LEU B 9 140.336 -4.661 -15.387 1.00 0.49 H new ATOM 0 HB2 LEU B 9 141.666 -3.914 -18.013 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.440 -4.934 -16.817 1.00 0.65 H new ATOM 0 HG LEU B 9 139.747 -5.593 -18.036 1.00 0.65 H new ATOM 0 HD11 LEU B 9 140.954 -7.147 -19.521 1.00 0.85 H new ATOM 0 HD12 LEU B 9 141.407 -5.454 -19.827 1.00 0.85 H new ATOM 0 HD13 LEU B 9 142.503 -6.517 -18.913 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.281 -7.873 -17.262 1.00 0.76 H new ATOM 0 HD22 LEU B 9 141.802 -7.273 -16.560 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.242 -6.710 -15.916 1.00 0.76 H new ATOM 857 N GLN B 10 141.992 -1.854 -16.053 1.00 0.41 N ATOM 858 CA GLN B 10 142.871 -0.837 -15.469 1.00 0.48 C ATOM 859 C GLN B 10 142.303 -0.256 -14.170 1.00 0.42 C ATOM 860 O GLN B 10 143.059 0.238 -13.334 1.00 0.48 O ATOM 861 CB GLN B 10 143.113 0.293 -16.475 1.00 0.58 C ATOM 862 CG GLN B 10 143.934 -0.129 -17.684 1.00 0.66 C ATOM 863 CD GLN B 10 145.407 -0.296 -17.361 1.00 0.81 C ATOM 864 OE1 GLN B 10 145.892 -1.414 -17.187 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.130 0.818 -17.277 1.00 0.83 N ATOM 0 H GLN B 10 141.707 -1.659 -17.013 1.00 0.41 H new ATOM 0 HA GLN B 10 143.814 -1.328 -15.228 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.151 0.676 -16.816 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.622 1.114 -15.970 1.00 0.58 H new ATOM 0 HG2 GLN B 10 143.543 -1.069 -18.074 1.00 0.66 H new ATOM 0 HG3 GLN B 10 143.821 0.615 -18.473 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.689 1.725 -17.428 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.126 0.765 -17.061 1.00 0.83 H new ATOM 874 N GLU B 11 140.980 -0.325 -13.992 1.00 0.40 N ATOM 875 CA GLU B 11 140.343 0.189 -12.778 1.00 0.42 C ATOM 876 C GLU B 11 140.593 -0.747 -11.593 1.00 0.37 C ATOM 877 O GLU B 11 140.684 -0.301 -10.449 1.00 0.54 O ATOM 878 CB GLU B 11 138.838 0.367 -12.992 1.00 0.48 C ATOM 879 CG GLU B 11 138.490 1.325 -14.120 1.00 0.62 C ATOM 880 CD GLU B 11 137.095 1.904 -13.984 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.927 2.876 -13.217 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.170 1.386 -14.645 1.00 1.61 O ATOM 0 H GLU B 11 140.334 -0.729 -14.669 1.00 0.40 H new ATOM 0 HA GLU B 11 140.785 1.160 -12.554 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.392 -0.605 -13.203 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.389 0.730 -12.067 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.216 2.138 -14.139 1.00 0.62 H new ATOM 0 HG3 GLU B 11 138.571 0.803 -15.073 1.00 0.62 H new ATOM 889 N LEU B 12 140.724 -2.044 -11.884 1.00 0.32 N ATOM 890 CA LEU B 12 140.986 -3.045 -10.852 1.00 0.30 C ATOM 891 C LEU B 12 142.461 -3.022 -10.450 1.00 0.28 C ATOM 892 O LEU B 12 142.788 -3.078 -9.264 1.00 0.36 O ATOM 893 CB LEU B 12 140.594 -4.443 -11.347 1.00 0.32 C ATOM 894 CG LEU B 12 139.823 -5.307 -10.341 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.727 -5.739 -9.195 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.604 -4.562 -9.812 1.00 0.54 C ATOM 0 H LEU B 12 140.652 -2.424 -12.828 1.00 0.32 H new ATOM 0 HA LEU B 12 140.381 -2.804 -9.978 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.987 -4.334 -12.246 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.501 -4.974 -11.636 1.00 0.32 H new ATOM 0 HG LEU B 12 139.478 -6.202 -10.858 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.159 -6.351 -8.494 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.562 -6.319 -9.589 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.109 -4.857 -8.680 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.072 -5.193 -9.100 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.925 -3.646 -9.316 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.942 -4.313 -10.641 1.00 0.54 H new ATOM 908 N VAL B 13 143.346 -2.926 -11.449 1.00 0.25 N ATOM 909 CA VAL B 13 144.787 -2.880 -11.202 1.00 0.26 C ATOM 910 C VAL B 13 145.207 -1.550 -10.560 1.00 0.22 C ATOM 911 O VAL B 13 146.290 -1.451 -9.980 1.00 0.26 O ATOM 912 CB VAL B 13 145.596 -3.105 -12.502 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.514 -1.892 -13.419 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.046 -3.441 -12.178 1.00 0.52 C ATOM 0 H VAL B 13 143.087 -2.879 -12.434 1.00 0.25 H new ATOM 0 HA VAL B 13 145.009 -3.690 -10.508 1.00 0.26 H new ATOM 0 HB VAL B 13 145.156 -3.951 -13.030 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.092 -2.080 -14.324 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.473 -1.707 -13.685 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.918 -1.020 -12.905 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.599 -3.596 -13.104 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.494 -2.618 -11.621 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.083 -4.349 -11.577 1.00 0.52 H new ATOM 924 N LYS B 14 144.330 -0.542 -10.639 1.00 0.24 N ATOM 925 CA LYS B 14 144.604 0.761 -10.039 1.00 0.25 C ATOM 926 C LYS B 14 144.206 0.747 -8.569 1.00 0.22 C ATOM 927 O LYS B 14 144.970 1.177 -7.707 1.00 0.29 O ATOM 928 CB LYS B 14 143.857 1.874 -10.776 1.00 0.34 C ATOM 929 CG LYS B 14 144.679 3.141 -10.946 1.00 0.87 C ATOM 930 CD LYS B 14 144.117 4.028 -12.044 1.00 0.75 C ATOM 931 CE LYS B 14 145.062 5.174 -12.370 1.00 0.70 C ATOM 932 NZ LYS B 14 144.631 5.926 -13.581 1.00 0.72 N ATOM 0 H LYS B 14 143.429 -0.607 -11.112 1.00 0.24 H new ATOM 0 HA LYS B 14 145.673 0.959 -10.122 1.00 0.25 H new ATOM 0 HB2 LYS B 14 143.555 1.511 -11.758 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.944 2.112 -10.230 1.00 0.34 H new ATOM 0 HG2 LYS B 14 144.698 3.692 -10.006 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.710 2.878 -11.182 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.942 3.433 -12.940 1.00 0.75 H new ATOM 0 HD3 LYS B 14 143.152 4.428 -11.733 1.00 0.75 H new ATOM 0 HE2 LYS B 14 145.113 5.854 -11.520 1.00 0.70 H new ATOM 0 HE3 LYS B 14 146.067 4.782 -12.525 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 145.302 6.698 -13.768 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.607 5.283 -14.398 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.682 6.323 -13.424 1.00 0.72 H new ATOM 946 N HIS B 15 143.006 0.232 -8.295 1.00 0.24 N ATOM 947 CA HIS B 15 142.501 0.136 -6.927 1.00 0.27 C ATOM 948 C HIS B 15 143.384 -0.797 -6.096 1.00 0.25 C ATOM 949 O HIS B 15 143.606 -0.558 -4.908 1.00 0.45 O ATOM 950 CB HIS B 15 141.057 -0.378 -6.925 1.00 0.33 C ATOM 951 CG HIS B 15 140.052 0.621 -7.415 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.721 0.585 -7.056 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.186 1.684 -8.245 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.081 1.581 -7.643 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.947 2.263 -8.369 1.00 0.76 N ATOM 0 H HIS B 15 142.366 -0.125 -9.004 1.00 0.24 H new ATOM 0 HA HIS B 15 142.523 1.132 -6.484 1.00 0.27 H new ATOM 0 HB2 HIS B 15 140.999 -1.271 -7.548 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.791 -0.678 -5.912 1.00 0.33 H new ATOM 0 HD2 HIS B 15 141.098 2.014 -8.720 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.028 1.800 -7.545 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.731 3.086 -8.931 1.00 0.76 H new ATOM 964 N LYS B 16 143.889 -1.857 -6.736 1.00 0.21 N ATOM 965 CA LYS B 16 144.753 -2.829 -6.068 1.00 0.27 C ATOM 966 C LYS B 16 146.078 -2.194 -5.646 1.00 0.36 C ATOM 967 O LYS B 16 146.458 -2.266 -4.476 1.00 0.69 O ATOM 968 CB LYS B 16 145.019 -4.028 -6.984 1.00 0.35 C ATOM 969 CG LYS B 16 143.892 -5.049 -7.001 1.00 0.46 C ATOM 970 CD LYS B 16 144.156 -6.152 -8.016 1.00 0.49 C ATOM 971 CE LYS B 16 144.022 -7.535 -7.393 1.00 0.53 C ATOM 972 NZ LYS B 16 145.265 -8.342 -7.551 1.00 0.61 N ATOM 0 H LYS B 16 143.712 -2.062 -7.719 1.00 0.21 H new ATOM 0 HA LYS B 16 144.236 -3.172 -5.172 1.00 0.27 H new ATOM 0 HB2 LYS B 16 145.186 -3.668 -7.999 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.938 -4.520 -6.665 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.780 -5.485 -6.008 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.952 -4.551 -7.239 1.00 0.46 H new ATOM 0 HD2 LYS B 16 143.456 -6.058 -8.846 1.00 0.49 H new ATOM 0 HD3 LYS B 16 145.158 -6.034 -8.429 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.788 -7.434 -6.333 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.187 -8.061 -7.855 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.131 -9.276 -7.113 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.475 -8.461 -8.563 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.057 -7.853 -7.088 1.00 0.61 H new ATOM 986 N GLU B 17 146.780 -1.572 -6.600 1.00 0.30 N ATOM 987 CA GLU B 17 148.063 -0.928 -6.314 1.00 0.38 C ATOM 988 C GLU B 17 147.883 0.283 -5.397 1.00 0.32 C ATOM 989 O GLU B 17 148.729 0.546 -4.539 1.00 0.40 O ATOM 990 CB GLU B 17 148.760 -0.509 -7.615 1.00 0.51 C ATOM 991 CG GLU B 17 148.058 0.620 -8.360 1.00 0.80 C ATOM 992 CD GLU B 17 148.521 0.773 -9.802 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.534 0.144 -10.183 1.00 1.47 O ATOM 994 OE2 GLU B 17 147.868 1.526 -10.554 1.00 1.49 O ATOM 0 H GLU B 17 146.481 -1.502 -7.573 1.00 0.30 H new ATOM 0 HA GLU B 17 148.691 -1.654 -5.798 1.00 0.38 H new ATOM 0 HB2 GLU B 17 149.780 -0.200 -7.385 1.00 0.51 H new ATOM 0 HB3 GLU B 17 148.830 -1.375 -8.273 1.00 0.51 H new ATOM 0 HG2 GLU B 17 146.983 0.439 -8.349 1.00 0.80 H new ATOM 0 HG3 GLU B 17 148.230 1.557 -7.830 1.00 0.80 H new ATOM 1001 N LEU B 18 146.772 1.007 -5.569 1.00 0.32 N ATOM 1002 CA LEU B 18 146.482 2.175 -4.739 1.00 0.34 C ATOM 1003 C LEU B 18 146.394 1.765 -3.272 1.00 0.35 C ATOM 1004 O LEU B 18 146.966 2.419 -2.399 1.00 0.66 O ATOM 1005 CB LEU B 18 145.171 2.840 -5.176 1.00 0.51 C ATOM 1006 CG LEU B 18 145.329 4.003 -6.159 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.971 4.443 -6.688 1.00 0.81 C ATOM 1008 CD2 LEU B 18 146.050 5.168 -5.495 1.00 0.75 C ATOM 0 H LEU B 18 146.063 0.804 -6.273 1.00 0.32 H new ATOM 0 HA LEU B 18 147.292 2.894 -4.862 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.532 2.083 -5.632 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.652 3.203 -4.289 1.00 0.51 H new ATOM 0 HG LEU B 18 145.931 3.663 -7.002 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.103 5.270 -7.385 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.493 3.609 -7.201 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.344 4.765 -5.857 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.154 5.986 -6.208 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.475 5.508 -4.634 1.00 0.75 H new ATOM 0 HD23 LEU B 18 147.038 4.845 -5.167 1.00 0.75 H new ATOM 1020 N LEU B 19 145.686 0.663 -3.017 1.00 0.45 N ATOM 1021 CA LEU B 19 145.532 0.138 -1.665 1.00 0.47 C ATOM 1022 C LEU B 19 146.875 -0.337 -1.111 1.00 0.33 C ATOM 1023 O LEU B 19 147.124 -0.238 0.092 1.00 0.45 O ATOM 1024 CB LEU B 19 144.526 -1.019 -1.650 1.00 0.63 C ATOM 1025 CG LEU B 19 143.252 -0.765 -0.838 1.00 0.81 C ATOM 1026 CD1 LEU B 19 142.090 -1.567 -1.405 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.476 -1.109 0.629 1.00 0.96 C ATOM 0 H LEU B 19 145.209 0.117 -3.735 1.00 0.45 H new ATOM 0 HA LEU B 19 145.158 0.943 -1.032 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.243 -1.247 -2.678 1.00 0.63 H new ATOM 0 HB3 LEU B 19 145.021 -1.905 -1.252 1.00 0.63 H new ATOM 0 HG LEU B 19 143.004 0.294 -0.908 1.00 0.81 H new ATOM 0 HD11 LEU B 19 141.193 -1.374 -0.816 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.915 -1.272 -2.440 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.328 -2.630 -1.366 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.561 -0.922 1.190 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.749 -2.161 0.719 1.00 0.96 H new ATOM 0 HD23 LEU B 19 144.279 -0.491 1.029 1.00 0.96 H new ATOM 1039 N ARG B 20 147.739 -0.856 -1.994 1.00 0.35 N ATOM 1040 CA ARG B 20 149.050 -1.346 -1.576 1.00 0.49 C ATOM 1041 C ARG B 20 149.921 -0.204 -1.058 1.00 0.40 C ATOM 1042 O ARG B 20 150.324 -0.219 0.107 1.00 0.49 O ATOM 1043 CB ARG B 20 149.750 -2.063 -2.734 1.00 0.76 C ATOM 1044 CG ARG B 20 149.218 -3.464 -2.988 1.00 0.85 C ATOM 1045 CD ARG B 20 149.832 -4.081 -4.236 1.00 0.96 C ATOM 1046 NE ARG B 20 149.744 -5.542 -4.224 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.588 -6.340 -3.564 1.00 1.13 C ATOM 1048 NH1 ARG B 20 151.592 -5.827 -2.854 1.00 1.68 N ATOM 1049 NH2 ARG B 20 150.427 -7.658 -3.611 1.00 1.59 N ATOM 0 H ARG B 20 147.552 -0.945 -2.993 1.00 0.35 H new ATOM 0 HA ARG B 20 148.900 -2.057 -0.764 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.636 -1.469 -3.641 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.818 -2.121 -2.523 1.00 0.76 H new ATOM 0 HG2 ARG B 20 149.432 -4.096 -2.126 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.134 -3.428 -3.095 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.324 -3.694 -5.119 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.877 -3.781 -4.312 1.00 0.96 H new ATOM 0 HE ARG B 20 148.990 -5.979 -4.754 1.00 1.06 H new ATOM 0 HH11 ARG B 20 151.722 -4.816 -2.811 1.00 1.68 H new ATOM 0 HH12 ARG B 20 152.231 -6.445 -2.354 1.00 1.68 H new ATOM 0 HH21 ARG B 20 149.660 -8.059 -4.150 1.00 1.59 H new ATOM 0 HH22 ARG B 20 151.071 -8.269 -3.108 1.00 1.59 H new ATOM 1063 N ARG B 21 150.225 0.783 -1.915 1.00 0.35 N ATOM 1064 CA ARG B 21 151.060 1.923 -1.526 1.00 0.35 C ATOM 1065 C ARG B 21 150.588 2.562 -0.225 1.00 0.34 C ATOM 1066 O ARG B 21 151.402 2.884 0.637 1.00 0.47 O ATOM 1067 CB ARG B 21 151.059 2.978 -2.638 1.00 0.45 C ATOM 1068 CG ARG B 21 152.433 3.258 -3.224 1.00 0.70 C ATOM 1069 CD ARG B 21 152.340 4.144 -4.458 1.00 0.98 C ATOM 1070 NE ARG B 21 152.376 5.568 -4.118 1.00 0.97 N ATOM 1071 CZ ARG B 21 151.842 6.534 -4.873 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.226 6.239 -6.016 1.00 2.12 N ATOM 1073 NH2 ARG B 21 151.925 7.802 -4.484 1.00 1.53 N ATOM 0 H ARG B 21 149.903 0.812 -2.882 1.00 0.35 H new ATOM 0 HA ARG B 21 152.070 1.545 -1.368 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.395 2.649 -3.437 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.647 3.907 -2.243 1.00 0.45 H new ATOM 0 HG2 ARG B 21 153.059 3.741 -2.474 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.917 2.317 -3.485 1.00 0.70 H new ATOM 0 HD2 ARG B 21 153.164 3.912 -5.133 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.417 3.923 -4.994 1.00 0.98 H new ATOM 0 HE ARG B 21 152.838 5.840 -3.250 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.158 5.269 -6.323 1.00 2.12 H new ATOM 0 HH12 ARG B 21 150.822 6.983 -6.584 1.00 2.12 H new ATOM 0 HH21 ARG B 21 152.396 8.038 -3.610 1.00 1.53 H new ATOM 0 HH22 ARG B 21 151.518 8.540 -5.059 1.00 1.53 H new ATOM 1087 N LYS B 22 149.273 2.748 -0.089 1.00 0.30 N ATOM 1088 CA LYS B 22 148.708 3.354 1.115 1.00 0.36 C ATOM 1089 C LYS B 22 149.201 2.630 2.368 1.00 0.31 C ATOM 1090 O LYS B 22 149.740 3.255 3.283 1.00 0.36 O ATOM 1091 CB LYS B 22 147.178 3.332 1.064 1.00 0.47 C ATOM 1092 CG LYS B 22 146.522 4.240 2.094 1.00 0.69 C ATOM 1093 CD LYS B 22 145.058 4.492 1.768 1.00 0.86 C ATOM 1094 CE LYS B 22 144.147 4.082 2.918 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.517 5.258 3.586 1.00 0.70 N ATOM 0 H LYS B 22 148.584 2.489 -0.795 1.00 0.30 H new ATOM 0 HA LYS B 22 149.041 4.391 1.158 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.851 3.631 0.068 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.832 2.310 1.220 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.602 3.787 3.082 1.00 0.69 H new ATOM 0 HG3 LYS B 22 147.055 5.190 2.134 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.911 5.549 1.546 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.784 3.937 0.871 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.367 3.419 2.543 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.722 3.515 3.650 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.906 4.931 4.362 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.259 5.879 3.968 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.946 5.785 2.895 1.00 0.70 H new ATOM 1109 N ASP B 23 149.011 1.308 2.398 1.00 0.32 N ATOM 1110 CA ASP B 23 149.430 0.488 3.534 1.00 0.32 C ATOM 1111 C ASP B 23 150.954 0.468 3.710 1.00 0.30 C ATOM 1112 O ASP B 23 151.443 0.165 4.800 1.00 0.37 O ATOM 1113 CB ASP B 23 148.908 -0.943 3.372 1.00 0.36 C ATOM 1114 CG ASP B 23 147.453 -1.077 3.782 1.00 0.75 C ATOM 1115 OD1 ASP B 23 146.571 -0.781 2.948 1.00 1.15 O ATOM 1116 OD2 ASP B 23 147.197 -1.473 4.938 1.00 1.11 O ATOM 0 H ASP B 23 148.568 0.783 1.644 1.00 0.32 H new ATOM 0 HA ASP B 23 149.003 0.939 4.430 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.020 -1.252 2.333 1.00 0.36 H new ATOM 0 HB3 ASP B 23 149.516 -1.619 3.973 1.00 0.36 H new ATOM 1121 N THR B 24 151.707 0.800 2.652 1.00 0.28 N ATOM 1122 CA THR B 24 153.169 0.823 2.725 1.00 0.29 C ATOM 1123 C THR B 24 153.684 2.206 3.141 1.00 0.27 C ATOM 1124 O THR B 24 154.730 2.317 3.780 1.00 0.32 O ATOM 1125 CB THR B 24 153.778 0.423 1.375 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.335 -0.866 0.982 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.294 0.408 1.377 1.00 0.55 C ATOM 0 H THR B 24 151.327 1.055 1.740 1.00 0.28 H new ATOM 0 HA THR B 24 153.475 0.103 3.484 1.00 0.29 H new ATOM 0 HB THR B 24 153.441 1.186 0.674 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.403 -0.815 0.684 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.656 0.117 0.391 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.667 1.402 1.622 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.650 -0.306 2.120 1.00 0.55 H new ATOM 1135 N HIS B 25 152.932 3.253 2.785 1.00 0.26 N ATOM 1136 CA HIS B 25 153.305 4.622 3.133 1.00 0.29 C ATOM 1137 C HIS B 25 153.125 4.851 4.630 1.00 0.31 C ATOM 1138 O HIS B 25 153.996 5.418 5.289 1.00 0.41 O ATOM 1139 CB HIS B 25 152.469 5.629 2.338 1.00 0.34 C ATOM 1140 CG HIS B 25 153.163 6.937 2.110 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.111 7.984 3.007 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.926 7.368 1.077 1.00 0.94 C ATOM 1143 CE1 HIS B 25 153.812 9.000 2.535 1.00 0.72 C ATOM 1144 NE2 HIS B 25 154.317 8.652 1.367 1.00 0.74 N ATOM 0 H HIS B 25 152.063 3.175 2.257 1.00 0.26 H new ATOM 0 HA HIS B 25 154.354 4.770 2.877 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.209 5.192 1.374 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.534 5.811 2.868 1.00 0.34 H new ATOM 0 HD2 HIS B 25 154.180 6.806 0.190 1.00 0.94 H new ATOM 0 HE1 HIS B 25 153.948 9.954 3.023 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.903 9.241 0.775 1.00 0.74 H new ATOM 1153 N ILE B 26 151.995 4.379 5.163 1.00 0.29 N ATOM 1154 CA ILE B 26 151.705 4.502 6.591 1.00 0.35 C ATOM 1155 C ILE B 26 152.679 3.658 7.421 1.00 0.35 C ATOM 1156 O ILE B 26 152.864 3.905 8.614 1.00 0.47 O ATOM 1157 CB ILE B 26 150.254 4.078 6.920 1.00 0.41 C ATOM 1158 CG1 ILE B 26 149.976 2.653 6.425 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.264 5.059 6.305 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.659 1.674 7.535 1.00 0.68 C ATOM 0 H ILE B 26 151.267 3.908 4.626 1.00 0.29 H new ATOM 0 HA ILE B 26 151.826 5.554 6.849 1.00 0.35 H new ATOM 0 HB ILE B 26 150.131 4.091 8.003 1.00 0.41 H new ATOM 0 HG12 ILE B 26 149.141 2.678 5.725 1.00 0.40 H new ATOM 0 HG13 ILE B 26 150.844 2.294 5.873 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.247 4.748 6.545 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.443 6.056 6.707 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.393 5.076 5.223 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.474 0.688 7.109 1.00 0.68 H new ATOM 0 HD12 ILE B 26 150.502 1.619 8.224 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.772 2.009 8.073 1.00 0.68 H new ATOM 1172 N ARG B 27 153.313 2.673 6.772 1.00 0.31 N ATOM 1173 CA ARG B 27 154.283 1.802 7.429 1.00 0.37 C ATOM 1174 C ARG B 27 155.679 2.429 7.388 1.00 0.34 C ATOM 1175 O ARG B 27 156.393 2.433 8.392 1.00 0.39 O ATOM 1176 CB ARG B 27 154.298 0.427 6.754 1.00 0.46 C ATOM 1177 CG ARG B 27 155.045 -0.637 7.542 1.00 0.53 C ATOM 1178 CD ARG B 27 155.260 -1.894 6.711 1.00 0.80 C ATOM 1179 NE ARG B 27 156.636 -2.383 6.796 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.664 -1.854 6.126 1.00 0.92 C ATOM 1181 NH1 ARG B 27 157.481 -0.817 5.310 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.882 -2.366 6.272 1.00 1.67 N ATOM 0 H ARG B 27 153.166 2.462 5.785 1.00 0.31 H new ATOM 0 HA ARG B 27 153.991 1.679 8.472 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.271 0.097 6.600 1.00 0.46 H new ATOM 0 HB3 ARG B 27 154.753 0.522 5.768 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.009 -0.243 7.865 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.484 -0.886 8.443 1.00 0.53 H new ATOM 0 HD2 ARG B 27 154.578 -2.673 7.050 1.00 0.80 H new ATOM 0 HD3 ARG B 27 155.014 -1.686 5.670 1.00 0.80 H new ATOM 0 HE ARG B 27 156.823 -3.179 7.406 1.00 0.90 H new ATOM 0 HH11 ARG B 27 156.549 -0.419 5.192 1.00 1.21 H new ATOM 0 HH12 ARG B 27 158.273 -0.421 4.803 1.00 1.21 H new ATOM 0 HH21 ARG B 27 159.030 -3.161 6.894 1.00 1.67 H new ATOM 0 HH22 ARG B 27 159.669 -1.964 5.762 1.00 1.67 H new ATOM 1196 N GLU B 28 156.054 2.971 6.223 1.00 0.33 N ATOM 1197 CA GLU B 28 157.357 3.616 6.053 1.00 0.36 C ATOM 1198 C GLU B 28 157.440 4.870 6.927 1.00 0.35 C ATOM 1199 O GLU B 28 158.423 5.072 7.642 1.00 0.44 O ATOM 1200 CB GLU B 28 157.603 3.937 4.563 1.00 0.47 C ATOM 1201 CG GLU B 28 157.919 5.399 4.249 1.00 0.78 C ATOM 1202 CD GLU B 28 156.779 6.106 3.537 1.00 1.17 C ATOM 1203 OE1 GLU B 28 156.499 5.757 2.370 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.168 7.009 4.144 1.00 1.79 O ATOM 0 H GLU B 28 155.472 2.975 5.385 1.00 0.33 H new ATOM 0 HA GLU B 28 158.144 2.934 6.376 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.429 3.320 4.208 1.00 0.47 H new ATOM 0 HB3 GLU B 28 156.720 3.644 3.995 1.00 0.47 H new ATOM 0 HG2 GLU B 28 158.144 5.925 5.177 1.00 0.78 H new ATOM 0 HG3 GLU B 28 158.815 5.448 3.630 1.00 0.78 H new ATOM 1211 N LEU B 29 156.392 5.701 6.871 1.00 0.33 N ATOM 1212 CA LEU B 29 156.328 6.930 7.665 1.00 0.38 C ATOM 1213 C LEU B 29 156.278 6.628 9.171 1.00 0.42 C ATOM 1214 O LEU B 29 156.488 7.520 9.993 1.00 0.79 O ATOM 1215 CB LEU B 29 155.099 7.754 7.263 1.00 0.46 C ATOM 1216 CG LEU B 29 155.282 9.272 7.326 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.669 9.823 5.961 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.011 9.941 7.831 1.00 0.59 C ATOM 0 H LEU B 29 155.575 5.542 6.281 1.00 0.33 H new ATOM 0 HA LEU B 29 157.234 7.501 7.464 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.815 7.480 6.247 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.268 7.477 7.912 1.00 0.46 H new ATOM 0 HG LEU B 29 156.089 9.492 8.025 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.794 10.904 6.027 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.605 9.368 5.637 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.885 9.592 5.240 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.159 11.020 7.870 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.186 9.711 7.156 1.00 0.59 H new ATOM 0 HD23 LEU B 29 153.777 9.571 8.829 1.00 0.59 H new ATOM 1230 N GLU B 30 156.017 5.363 9.523 1.00 0.43 N ATOM 1231 CA GLU B 30 155.958 4.948 10.923 1.00 0.45 C ATOM 1232 C GLU B 30 157.362 4.745 11.498 1.00 0.44 C ATOM 1233 O GLU B 30 157.579 4.941 12.695 1.00 0.58 O ATOM 1234 CB GLU B 30 155.143 3.660 11.070 1.00 0.51 C ATOM 1235 CG GLU B 30 154.016 3.764 12.087 1.00 0.58 C ATOM 1236 CD GLU B 30 154.493 4.227 13.452 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.036 3.393 14.207 1.00 1.26 O ATOM 1238 OE2 GLU B 30 154.326 5.425 13.764 1.00 1.35 O ATOM 0 H GLU B 30 155.844 4.612 8.855 1.00 0.43 H new ATOM 0 HA GLU B 30 155.467 5.744 11.484 1.00 0.45 H new ATOM 0 HB2 GLU B 30 154.722 3.394 10.100 1.00 0.51 H new ATOM 0 HB3 GLU B 30 155.810 2.849 11.362 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.262 4.458 11.716 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.533 2.792 12.187 1.00 0.58 H new ATOM 1245 N ASP B 31 158.314 4.369 10.638 1.00 0.41 N ATOM 1246 CA ASP B 31 159.700 4.158 11.057 1.00 0.55 C ATOM 1247 C ASP B 31 160.506 5.453 10.933 1.00 0.57 C ATOM 1248 O ASP B 31 161.381 5.731 11.755 1.00 0.76 O ATOM 1249 CB ASP B 31 160.349 3.056 10.214 1.00 0.69 C ATOM 1250 CG ASP B 31 161.652 2.559 10.813 1.00 1.28 C ATOM 1251 OD1 ASP B 31 161.603 1.663 11.680 1.00 1.74 O ATOM 1252 OD2 ASP B 31 162.721 3.069 10.414 1.00 1.66 O ATOM 0 H ASP B 31 158.148 4.205 9.645 1.00 0.41 H new ATOM 0 HA ASP B 31 159.696 3.849 12.102 1.00 0.55 H new ATOM 0 HB2 ASP B 31 159.655 2.221 10.117 1.00 0.69 H new ATOM 0 HB3 ASP B 31 160.536 3.434 9.209 1.00 0.69 H new ATOM 1257 N TYR B 32 160.194 6.240 9.899 1.00 0.49 N ATOM 1258 CA TYR B 32 160.877 7.510 9.663 1.00 0.56 C ATOM 1259 C TYR B 32 160.629 8.476 10.821 1.00 0.56 C ATOM 1260 O TYR B 32 161.555 9.131 11.301 1.00 0.67 O ATOM 1261 CB TYR B 32 160.416 8.137 8.343 1.00 0.60 C ATOM 1262 CG TYR B 32 161.214 9.360 7.940 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.602 9.317 7.875 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.579 10.555 7.626 1.00 0.96 C ATOM 1265 CE1 TYR B 32 163.333 10.430 7.509 1.00 1.37 C ATOM 1266 CE2 TYR B 32 161.305 11.672 7.258 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.680 11.604 7.202 1.00 1.21 C ATOM 1268 OH TYR B 32 163.405 12.715 6.839 1.00 1.53 O ATOM 0 H TYR B 32 159.472 6.018 9.213 1.00 0.49 H new ATOM 0 HA TYR B 32 161.947 7.312 9.597 1.00 0.56 H new ATOM 0 HB2 TYR B 32 160.487 7.391 7.552 1.00 0.60 H new ATOM 0 HB3 TYR B 32 159.365 8.412 8.429 1.00 0.60 H new ATOM 0 HD1 TYR B 32 163.117 8.398 8.115 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.501 10.612 7.670 1.00 0.96 H new ATOM 0 HE1 TYR B 32 164.411 10.381 7.464 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.797 12.594 7.016 1.00 1.17 H new ATOM 0 HH TYR B 32 162.794 13.458 6.654 1.00 1.53 H new ATOM 1278 N ILE B 33 159.375 8.546 11.273 1.00 0.54 N ATOM 1279 CA ILE B 33 159.004 9.419 12.386 1.00 0.64 C ATOM 1280 C ILE B 33 159.520 8.861 13.716 1.00 0.58 C ATOM 1281 O ILE B 33 159.879 9.624 14.615 1.00 0.78 O ATOM 1282 CB ILE B 33 157.471 9.609 12.471 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.953 10.328 11.221 1.00 0.84 C ATOM 1284 CG2 ILE B 33 157.092 10.386 13.727 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.449 10.256 11.060 1.00 0.87 C ATOM 0 H ILE B 33 158.600 8.008 10.885 1.00 0.54 H new ATOM 0 HA ILE B 33 159.467 10.388 12.199 1.00 0.64 H new ATOM 0 HB ILE B 33 157.006 8.625 12.525 1.00 0.77 H new ATOM 0 HG12 ILE B 33 157.256 11.374 11.262 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.426 9.894 10.340 1.00 0.84 H new ATOM 0 HG21 ILE B 33 156.010 10.508 13.767 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.428 9.839 14.608 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.567 11.367 13.705 1.00 0.98 H new ATOM 0 HD11 ILE B 33 155.154 10.786 10.154 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.140 9.213 10.987 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.968 10.717 11.923 1.00 0.87 H new ATOM 1297 N ASP B 34 159.546 7.527 13.834 1.00 0.46 N ATOM 1298 CA ASP B 34 160.008 6.857 15.056 1.00 0.50 C ATOM 1299 C ASP B 34 161.424 7.282 15.474 1.00 0.40 C ATOM 1300 O ASP B 34 161.830 7.003 16.600 1.00 0.45 O ATOM 1301 CB ASP B 34 159.960 5.335 14.882 1.00 0.69 C ATOM 1302 CG ASP B 34 159.865 4.606 16.210 1.00 0.82 C ATOM 1303 OD1 ASP B 34 158.784 4.645 16.834 1.00 1.34 O ATOM 1304 OD2 ASP B 34 160.874 3.997 16.626 1.00 1.46 O ATOM 0 H ASP B 34 159.251 6.889 13.095 1.00 0.46 H new ATOM 0 HA ASP B 34 159.329 7.164 15.851 1.00 0.50 H new ATOM 0 HB2 ASP B 34 159.104 5.069 14.262 1.00 0.69 H new ATOM 0 HB3 ASP B 34 160.853 5.004 14.351 1.00 0.69 H new ATOM 1309 N ASN B 35 162.168 7.948 14.573 1.00 0.52 N ATOM 1310 CA ASN B 35 163.534 8.408 14.858 1.00 0.58 C ATOM 1311 C ASN B 35 163.688 8.884 16.303 1.00 0.49 C ATOM 1312 O ASN B 35 164.706 8.611 16.942 1.00 0.61 O ATOM 1313 CB ASN B 35 163.925 9.535 13.897 1.00 0.78 C ATOM 1314 CG ASN B 35 164.893 9.072 12.824 1.00 0.90 C ATOM 1315 OD1 ASN B 35 166.056 9.473 12.808 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.418 8.221 11.918 1.00 1.31 N ATOM 0 H ASN B 35 161.841 8.180 13.635 1.00 0.52 H new ATOM 0 HA ASN B 35 164.199 7.557 14.715 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.027 9.934 13.425 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.377 10.350 14.462 1.00 0.78 H new ATOM 0 HD21 ASN B 35 165.025 7.876 11.174 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.447 7.913 11.967 1.00 1.31 H new ATOM 1323 N LEU B 36 162.666 9.581 16.814 1.00 0.44 N ATOM 1324 CA LEU B 36 162.682 10.078 18.191 1.00 0.51 C ATOM 1325 C LEU B 36 163.100 8.963 19.150 1.00 0.47 C ATOM 1326 O LEU B 36 164.056 9.115 19.912 1.00 0.59 O ATOM 1327 CB LEU B 36 161.302 10.619 18.592 1.00 0.71 C ATOM 1328 CG LEU B 36 160.667 11.606 17.607 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.216 11.872 17.981 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.458 12.907 17.563 1.00 1.64 C ATOM 0 H LEU B 36 161.820 9.812 16.294 1.00 0.44 H new ATOM 0 HA LEU B 36 163.405 10.892 18.250 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.624 9.775 18.721 1.00 0.71 H new ATOM 0 HB3 LEU B 36 161.391 11.108 19.562 1.00 0.71 H new ATOM 0 HG LEU B 36 160.690 11.161 16.612 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.780 12.575 17.271 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.656 10.937 17.956 1.00 1.00 H new ATOM 0 HD13 LEU B 36 159.171 12.295 18.985 1.00 1.00 H new ATOM 0 HD21 LEU B 36 160.990 13.594 16.858 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.471 13.359 18.555 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.480 12.701 17.245 1.00 1.64 H new ATOM 1342 N LEU B 37 162.383 7.838 19.090 1.00 0.41 N ATOM 1343 CA LEU B 37 162.682 6.687 19.934 1.00 0.48 C ATOM 1344 C LEU B 37 163.005 5.447 19.090 1.00 0.41 C ATOM 1345 O LEU B 37 162.349 4.410 19.212 1.00 0.54 O ATOM 1346 CB LEU B 37 161.511 6.399 20.882 1.00 0.65 C ATOM 1347 CG LEU B 37 160.133 6.318 20.217 1.00 0.62 C ATOM 1348 CD1 LEU B 37 159.314 5.186 20.819 1.00 0.80 C ATOM 1349 CD2 LEU B 37 159.397 7.645 20.352 1.00 0.69 C ATOM 0 H LEU B 37 161.590 7.703 18.463 1.00 0.41 H new ATOM 0 HA LEU B 37 163.564 6.927 20.528 1.00 0.48 H new ATOM 0 HB2 LEU B 37 161.704 5.457 21.395 1.00 0.65 H new ATOM 0 HB3 LEU B 37 161.483 7.177 21.644 1.00 0.65 H new ATOM 0 HG LEU B 37 160.274 6.110 19.156 1.00 0.62 H new ATOM 0 HD11 LEU B 37 158.339 5.145 20.334 1.00 0.80 H new ATOM 0 HD12 LEU B 37 159.835 4.240 20.669 1.00 0.80 H new ATOM 0 HD13 LEU B 37 159.181 5.361 21.887 1.00 0.80 H new ATOM 0 HD21 LEU B 37 158.420 7.570 19.874 1.00 0.69 H new ATOM 0 HD22 LEU B 37 159.267 7.883 21.408 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.976 8.433 19.871 1.00 0.69 H new ATOM 1361 N VAL B 38 164.045 5.551 18.259 1.00 0.36 N ATOM 1362 CA VAL B 38 164.485 4.437 17.431 1.00 0.49 C ATOM 1363 C VAL B 38 165.621 3.717 18.154 1.00 0.67 C ATOM 1364 O VAL B 38 166.784 3.743 17.743 1.00 1.35 O ATOM 1365 CB VAL B 38 164.915 4.890 16.006 1.00 0.64 C ATOM 1366 CG1 VAL B 38 165.830 3.868 15.338 1.00 1.31 C ATOM 1367 CG2 VAL B 38 163.689 5.122 15.138 1.00 0.89 C ATOM 0 H VAL B 38 164.597 6.401 18.145 1.00 0.36 H new ATOM 0 HA VAL B 38 163.647 3.755 17.284 1.00 0.49 H new ATOM 0 HB VAL B 38 165.472 5.821 16.113 1.00 0.64 H new ATOM 0 HG11 VAL B 38 166.107 4.222 14.345 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.729 3.736 15.940 1.00 1.31 H new ATOM 0 HG13 VAL B 38 165.308 2.915 15.251 1.00 1.31 H new ATOM 0 HG21 VAL B 38 164.002 5.439 14.143 1.00 0.89 H new ATOM 0 HG22 VAL B 38 163.117 4.197 15.061 1.00 0.89 H new ATOM 0 HG23 VAL B 38 163.067 5.897 15.586 1.00 0.89 H new ATOM 1377 N ARG B 39 165.241 3.062 19.242 1.00 0.54 N ATOM 1378 CA ARG B 39 166.144 2.286 20.079 1.00 0.62 C ATOM 1379 C ARG B 39 165.397 1.906 21.355 1.00 0.51 C ATOM 1380 O ARG B 39 165.837 2.189 22.471 1.00 0.63 O ATOM 1381 CB ARG B 39 167.414 3.085 20.414 1.00 0.93 C ATOM 1382 CG ARG B 39 168.696 2.398 19.974 1.00 1.15 C ATOM 1383 CD ARG B 39 169.000 1.181 20.834 1.00 1.41 C ATOM 1384 NE ARG B 39 170.057 0.351 20.258 1.00 1.58 N ATOM 1385 CZ ARG B 39 169.873 -0.508 19.251 1.00 1.77 C ATOM 1386 NH1 ARG B 39 168.670 -0.659 18.699 1.00 2.06 N ATOM 1387 NH2 ARG B 39 170.897 -1.220 18.794 1.00 2.18 N ATOM 0 H ARG B 39 164.277 3.055 19.574 1.00 0.54 H new ATOM 0 HA ARG B 39 166.460 1.390 19.545 1.00 0.62 H new ATOM 0 HB2 ARG B 39 167.354 4.064 19.938 1.00 0.93 H new ATOM 0 HB3 ARG B 39 167.453 3.255 21.490 1.00 0.93 H new ATOM 0 HG2 ARG B 39 168.608 2.095 18.931 1.00 1.15 H new ATOM 0 HG3 ARG B 39 169.526 3.102 20.032 1.00 1.15 H new ATOM 0 HD2 ARG B 39 169.298 1.507 21.830 1.00 1.41 H new ATOM 0 HD3 ARG B 39 168.095 0.585 20.951 1.00 1.41 H new ATOM 0 HE ARG B 39 170.995 0.433 20.650 1.00 1.58 H new ATOM 0 HH11 ARG B 39 167.879 -0.116 19.045 1.00 2.06 H new ATOM 0 HH12 ARG B 39 168.540 -1.317 17.931 1.00 2.06 H new ATOM 0 HH21 ARG B 39 171.821 -1.110 19.212 1.00 2.18 H new ATOM 0 HH22 ARG B 39 170.759 -1.876 18.025 1.00 2.18 H new ATOM 1401 N VAL B 40 164.252 1.253 21.145 1.00 0.43 N ATOM 1402 CA VAL B 40 163.368 0.793 22.225 1.00 0.56 C ATOM 1403 C VAL B 40 162.048 0.284 21.646 1.00 0.71 C ATOM 1404 O VAL B 40 161.401 0.980 20.860 1.00 1.15 O ATOM 1405 CB VAL B 40 163.043 1.903 23.261 1.00 0.60 C ATOM 1406 CG1 VAL B 40 163.957 1.798 24.475 1.00 1.04 C ATOM 1407 CG2 VAL B 40 163.120 3.294 22.635 1.00 0.65 C ATOM 0 H VAL B 40 163.907 1.025 20.213 1.00 0.43 H new ATOM 0 HA VAL B 40 163.908 -0.004 22.737 1.00 0.56 H new ATOM 0 HB VAL B 40 162.017 1.751 23.595 1.00 0.60 H new ATOM 0 HG11 VAL B 40 163.710 2.586 25.186 1.00 1.04 H new ATOM 0 HG12 VAL B 40 163.822 0.826 24.949 1.00 1.04 H new ATOM 0 HG13 VAL B 40 164.995 1.907 24.160 1.00 1.04 H new ATOM 0 HG21 VAL B 40 162.887 4.046 23.389 1.00 0.65 H new ATOM 0 HG22 VAL B 40 164.126 3.465 22.251 1.00 0.65 H new ATOM 0 HG23 VAL B 40 162.403 3.365 21.817 1.00 0.65 H new ATOM 1417 N MET B 41 161.652 -0.926 22.035 1.00 0.60 N ATOM 1418 CA MET B 41 160.405 -1.516 21.549 1.00 0.74 C ATOM 1419 C MET B 41 159.529 -1.984 22.710 1.00 0.91 C ATOM 1420 O MET B 41 160.031 -2.745 23.566 1.00 0.91 O ATOM 1421 CB MET B 41 160.698 -2.688 20.607 1.00 0.73 C ATOM 1422 CG MET B 41 159.641 -2.882 19.531 1.00 0.74 C ATOM 1423 SD MET B 41 160.029 -2.001 18.006 1.00 0.86 S ATOM 1424 CE MET B 41 158.974 -0.561 18.163 1.00 0.70 C ATOM 1425 OXT MET B 41 158.347 -1.583 22.754 1.00 1.13 O ATOM 0 H MET B 41 162.174 -1.516 22.683 1.00 0.60 H new ATOM 0 HA MET B 41 159.863 -0.747 20.999 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.665 -2.527 20.130 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.780 -3.603 21.193 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.539 -3.946 19.315 1.00 0.74 H new ATOM 0 HG3 MET B 41 158.677 -2.540 19.908 1.00 0.74 H new ATOM 0 HE1 MET B 41 158.881 -0.070 17.194 1.00 0.70 H new ATOM 0 HE2 MET B 41 157.987 -0.869 18.510 1.00 0.70 H new ATOM 0 HE3 MET B 41 159.411 0.133 18.881 1.00 0.70 H new