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 30:sc= 0 USER MOD Single : A 10 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -0.819 K(o=-0.82,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 180:sc= 0.0137 USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0032) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.393 X(o=0.39,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 -100:sc= -1.8! USER MOD Single : B 10 GLN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HD1:sc=-0.00429 X(o=-0.0043,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 180:sc= 0.0127 USER MOD Single : B 25 HIS : no HD1:sc= 0 X(o=0,f=-0.0041) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.398 X(o=0.4,f=0) USER MOD Single : B 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 131.774 -18.546 -19.354 1.00 0.77 N ATOM 2 CA GLY A 1 130.669 -18.584 -18.354 1.00 0.81 C ATOM 3 C GLY A 1 130.480 -17.257 -17.642 1.00 0.65 C ATOM 4 O GLY A 1 129.964 -16.302 -18.226 1.00 0.70 O ATOM 0 H1 GLY A 1 131.861 -19.476 -19.811 1.00 0.77 H new ATOM 0 H2 GLY A 1 131.566 -17.825 -20.074 1.00 0.77 H new ATOM 0 H3 GLY A 1 132.667 -18.311 -18.876 1.00 0.77 H new ATOM 0 HA2 GLY A 1 129.741 -18.859 -18.854 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.877 -19.361 -17.618 1.00 0.81 H new ATOM 10 N SER A 2 130.902 -17.198 -16.379 1.00 0.55 N ATOM 11 CA SER A 2 130.782 -15.978 -15.577 1.00 0.48 C ATOM 12 C SER A 2 132.089 -15.196 -15.542 1.00 0.47 C ATOM 13 O SER A 2 132.077 -14.001 -15.252 1.00 0.71 O ATOM 14 CB SER A 2 130.332 -16.313 -14.152 1.00 0.54 C ATOM 15 OG SER A 2 129.141 -17.082 -14.156 1.00 0.67 O ATOM 0 H SER A 2 131.331 -17.982 -15.887 1.00 0.55 H new ATOM 0 HA SER A 2 130.028 -15.350 -16.051 1.00 0.48 H new ATOM 0 HB2 SER A 2 131.121 -16.863 -13.639 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.171 -15.391 -13.593 1.00 0.54 H new ATOM 0 HG SER A 2 128.878 -17.283 -13.233 1.00 0.67 H new ATOM 21 N LEU A 3 133.210 -15.856 -15.861 1.00 0.38 N ATOM 22 CA LEU A 3 134.506 -15.177 -15.887 1.00 0.43 C ATOM 23 C LEU A 3 134.551 -14.255 -17.103 1.00 0.53 C ATOM 24 O LEU A 3 135.238 -14.525 -18.091 1.00 0.88 O ATOM 25 CB LEU A 3 135.685 -16.171 -15.912 1.00 0.48 C ATOM 26 CG LEU A 3 135.387 -17.564 -16.481 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.592 -18.098 -17.242 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.995 -18.520 -15.362 1.00 1.42 C ATOM 0 H LEU A 3 133.244 -16.847 -16.101 1.00 0.38 H new ATOM 0 HA LEU A 3 134.612 -14.596 -14.971 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.493 -15.729 -16.495 1.00 0.48 H new ATOM 0 HB3 LEU A 3 136.055 -16.289 -14.893 1.00 0.48 H new ATOM 0 HG LEU A 3 134.551 -17.483 -17.176 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.363 -19.087 -17.639 1.00 1.05 H new ATOM 0 HD12 LEU A 3 136.831 -17.424 -18.064 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.446 -18.166 -16.569 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.786 -19.504 -15.781 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.813 -18.596 -14.645 1.00 1.42 H new ATOM 0 HD23 LEU A 3 134.105 -18.144 -14.858 1.00 1.42 H new ATOM 40 N THR A 4 133.784 -13.170 -17.016 1.00 0.41 N ATOM 41 CA THR A 4 133.675 -12.186 -18.083 1.00 0.49 C ATOM 42 C THR A 4 133.221 -10.844 -17.497 1.00 0.39 C ATOM 43 O THR A 4 133.371 -10.611 -16.300 1.00 0.39 O ATOM 44 CB THR A 4 132.684 -12.678 -19.154 1.00 0.65 C ATOM 45 OG1 THR A 4 131.792 -13.644 -18.620 1.00 0.64 O ATOM 46 CG2 THR A 4 133.359 -13.302 -20.356 1.00 0.80 C ATOM 0 H THR A 4 133.218 -12.950 -16.196 1.00 0.41 H new ATOM 0 HA THR A 4 134.648 -12.051 -18.555 1.00 0.49 H new ATOM 0 HB THR A 4 132.151 -11.783 -19.475 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.172 -13.939 -19.320 1.00 0.64 H new ATOM 0 HG21 THR A 4 132.602 -13.626 -21.070 1.00 0.80 H new ATOM 0 HG22 THR A 4 134.013 -12.568 -20.828 1.00 0.80 H new ATOM 0 HG23 THR A 4 133.949 -14.161 -20.037 1.00 0.80 H new ATOM 54 N TYR A 5 132.712 -9.953 -18.349 1.00 0.48 N ATOM 55 CA TYR A 5 132.271 -8.612 -17.935 1.00 0.46 C ATOM 56 C TYR A 5 131.543 -8.585 -16.584 1.00 0.42 C ATOM 57 O TYR A 5 131.802 -7.701 -15.766 1.00 0.47 O ATOM 58 CB TYR A 5 131.364 -8.004 -19.010 1.00 0.59 C ATOM 59 CG TYR A 5 131.722 -6.579 -19.371 1.00 0.52 C ATOM 60 CD1 TYR A 5 131.553 -5.547 -18.456 1.00 0.81 C ATOM 61 CD2 TYR A 5 132.227 -6.266 -20.627 1.00 0.71 C ATOM 62 CE1 TYR A 5 131.878 -4.245 -18.781 1.00 0.90 C ATOM 63 CE2 TYR A 5 132.555 -4.966 -20.960 1.00 0.69 C ATOM 64 CZ TYR A 5 132.378 -3.959 -20.034 1.00 0.65 C ATOM 65 OH TYR A 5 132.703 -2.663 -20.361 1.00 0.79 O ATOM 0 H TYR A 5 132.592 -10.136 -19.345 1.00 0.48 H new ATOM 0 HA TYR A 5 133.180 -8.023 -17.813 1.00 0.46 H new ATOM 0 HB2 TYR A 5 131.415 -8.621 -19.907 1.00 0.59 H new ATOM 0 HB3 TYR A 5 130.332 -8.033 -18.661 1.00 0.59 H new ATOM 0 HD1 TYR A 5 131.161 -5.767 -17.474 1.00 0.81 H new ATOM 0 HD2 TYR A 5 132.365 -7.052 -21.355 1.00 0.71 H new ATOM 0 HE1 TYR A 5 131.741 -3.455 -18.058 1.00 0.90 H new ATOM 0 HE2 TYR A 5 132.948 -4.739 -21.940 1.00 0.69 H new ATOM 0 HH TYR A 5 132.983 -2.182 -19.554 1.00 0.79 H new ATOM 75 N GLU A 6 130.626 -9.528 -16.349 1.00 0.48 N ATOM 76 CA GLU A 6 129.868 -9.562 -15.091 1.00 0.50 C ATOM 77 C GLU A 6 130.739 -9.946 -13.887 1.00 0.38 C ATOM 78 O GLU A 6 130.357 -9.695 -12.742 1.00 0.47 O ATOM 79 CB GLU A 6 128.692 -10.538 -15.211 1.00 0.60 C ATOM 80 CG GLU A 6 127.457 -9.926 -15.853 1.00 0.65 C ATOM 81 CD GLU A 6 126.188 -10.691 -15.522 1.00 0.82 C ATOM 82 OE1 GLU A 6 125.560 -10.380 -14.488 1.00 0.99 O ATOM 83 OE2 GLU A 6 125.824 -11.600 -16.298 1.00 1.16 O ATOM 0 H GLU A 6 130.391 -10.272 -17.005 1.00 0.48 H new ATOM 0 HA GLU A 6 129.498 -8.552 -14.915 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.006 -11.402 -15.797 1.00 0.60 H new ATOM 0 HB3 GLU A 6 128.432 -10.904 -14.218 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.352 -8.894 -15.519 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.589 -9.900 -16.935 1.00 0.65 H new ATOM 90 N GLU A 7 131.901 -10.550 -14.144 1.00 0.30 N ATOM 91 CA GLU A 7 132.807 -10.959 -13.071 1.00 0.29 C ATOM 92 C GLU A 7 133.595 -9.770 -12.525 1.00 0.28 C ATOM 93 O GLU A 7 133.690 -9.593 -11.309 1.00 0.46 O ATOM 94 CB GLU A 7 133.776 -12.038 -13.561 1.00 0.40 C ATOM 95 CG GLU A 7 134.045 -13.130 -12.536 1.00 0.56 C ATOM 96 CD GLU A 7 134.939 -12.662 -11.402 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.175 -12.673 -11.578 1.00 1.01 O ATOM 98 OE2 GLU A 7 134.403 -12.285 -10.339 1.00 0.81 O ATOM 0 H GLU A 7 132.235 -10.766 -15.083 1.00 0.30 H new ATOM 0 HA GLU A 7 132.195 -11.367 -12.267 1.00 0.29 H new ATOM 0 HB2 GLU A 7 133.372 -12.493 -14.466 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.721 -11.568 -13.835 1.00 0.40 H new ATOM 0 HG2 GLU A 7 133.097 -13.479 -12.126 1.00 0.56 H new ATOM 0 HG3 GLU A 7 134.510 -13.982 -13.032 1.00 0.56 H new ATOM 105 N VAL A 8 134.162 -8.956 -13.420 1.00 0.34 N ATOM 106 CA VAL A 8 134.941 -7.789 -13.009 1.00 0.36 C ATOM 107 C VAL A 8 134.045 -6.697 -12.421 1.00 0.28 C ATOM 108 O VAL A 8 134.444 -6.000 -11.488 1.00 0.39 O ATOM 109 CB VAL A 8 135.757 -7.209 -14.189 1.00 0.54 C ATOM 110 CG1 VAL A 8 134.848 -6.536 -15.211 1.00 0.46 C ATOM 111 CG2 VAL A 8 136.814 -6.237 -13.683 1.00 0.77 C ATOM 0 H VAL A 8 134.096 -9.084 -14.430 1.00 0.34 H new ATOM 0 HA VAL A 8 135.632 -8.129 -12.238 1.00 0.36 H new ATOM 0 HB VAL A 8 136.261 -8.037 -14.687 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.450 -6.138 -16.028 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.140 -7.265 -15.604 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.303 -5.722 -14.733 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.377 -5.840 -14.528 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.330 -5.417 -13.152 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.492 -6.757 -13.007 1.00 0.77 H new ATOM 121 N LEU A 9 132.837 -6.548 -12.976 1.00 0.36 N ATOM 122 CA LEU A 9 131.892 -5.536 -12.503 1.00 0.49 C ATOM 123 C LEU A 9 131.687 -5.645 -10.992 1.00 0.53 C ATOM 124 O LEU A 9 131.874 -4.668 -10.265 1.00 0.73 O ATOM 125 CB LEU A 9 130.547 -5.668 -13.228 1.00 0.66 C ATOM 126 CG LEU A 9 130.169 -4.482 -14.121 1.00 0.65 C ATOM 127 CD1 LEU A 9 128.765 -4.661 -14.680 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.274 -3.172 -13.349 1.00 0.72 C ATOM 0 H LEU A 9 132.493 -7.115 -13.751 1.00 0.36 H new ATOM 0 HA LEU A 9 132.314 -4.556 -12.725 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.569 -6.570 -13.839 1.00 0.66 H new ATOM 0 HB3 LEU A 9 129.763 -5.806 -12.483 1.00 0.66 H new ATOM 0 HG LEU A 9 130.870 -4.445 -14.955 1.00 0.65 H new ATOM 0 HD11 LEU A 9 128.514 -3.809 -15.312 1.00 0.86 H new ATOM 0 HD12 LEU A 9 128.723 -5.576 -15.271 1.00 0.86 H new ATOM 0 HD13 LEU A 9 128.052 -4.726 -13.858 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.001 -2.342 -14.001 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.598 -3.198 -12.494 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.297 -3.037 -12.999 1.00 0.72 H new ATOM 140 N GLN A 10 131.296 -6.836 -10.525 1.00 0.42 N ATOM 141 CA GLN A 10 131.061 -7.071 -9.099 1.00 0.49 C ATOM 142 C GLN A 10 132.325 -6.852 -8.262 1.00 0.43 C ATOM 143 O GLN A 10 132.234 -6.594 -7.062 1.00 0.50 O ATOM 144 CB GLN A 10 130.539 -8.493 -8.879 1.00 0.60 C ATOM 145 CG GLN A 10 129.072 -8.667 -9.240 1.00 0.69 C ATOM 146 CD GLN A 10 128.139 -8.261 -8.113 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.089 -7.094 -7.724 1.00 1.31 O ATOM 148 NE2 GLN A 10 127.394 -9.225 -7.581 1.00 0.84 N ATOM 0 H GLN A 10 131.136 -7.652 -11.116 1.00 0.42 H new ATOM 0 HA GLN A 10 130.315 -6.347 -8.771 1.00 0.49 H new ATOM 0 HB2 GLN A 10 131.135 -9.186 -9.473 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.682 -8.766 -7.833 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.847 -8.072 -10.125 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.887 -9.709 -9.501 1.00 0.69 H new ATOM 0 HE21 GLN A 10 127.467 -10.179 -7.934 1.00 0.84 H new ATOM 0 HE22 GLN A 10 126.750 -9.010 -6.820 1.00 0.84 H new ATOM 157 N GLU A 11 133.498 -6.939 -8.895 1.00 0.41 N ATOM 158 CA GLU A 11 134.767 -6.731 -8.198 1.00 0.44 C ATOM 159 C GLU A 11 135.023 -5.238 -7.975 1.00 0.40 C ATOM 160 O GLU A 11 135.634 -4.848 -6.979 1.00 0.56 O ATOM 161 CB GLU A 11 135.920 -7.355 -8.990 1.00 0.52 C ATOM 162 CG GLU A 11 135.974 -8.872 -8.890 1.00 0.63 C ATOM 163 CD GLU A 11 137.181 -9.463 -9.592 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.266 -9.512 -8.971 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.043 -9.879 -10.762 1.00 1.64 O ATOM 0 H GLU A 11 133.594 -7.152 -9.888 1.00 0.41 H new ATOM 0 HA GLU A 11 134.707 -7.219 -7.225 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.826 -7.071 -10.038 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.862 -6.941 -8.631 1.00 0.52 H new ATOM 0 HG2 GLU A 11 135.992 -9.162 -7.839 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.066 -9.293 -9.322 1.00 0.63 H new ATOM 172 N LEU A 12 134.527 -4.410 -8.898 1.00 0.34 N ATOM 173 CA LEU A 12 134.678 -2.959 -8.794 1.00 0.34 C ATOM 174 C LEU A 12 133.759 -2.417 -7.699 1.00 0.31 C ATOM 175 O LEU A 12 134.198 -1.676 -6.818 1.00 0.39 O ATOM 176 CB LEU A 12 134.364 -2.287 -10.140 1.00 0.36 C ATOM 177 CG LEU A 12 135.262 -1.099 -10.509 1.00 0.44 C ATOM 178 CD1 LEU A 12 134.926 0.115 -9.656 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.733 -1.468 -10.363 1.00 0.59 C ATOM 0 H LEU A 12 134.018 -4.721 -9.725 1.00 0.34 H new ATOM 0 HA LEU A 12 135.711 -2.731 -8.532 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.441 -3.037 -10.927 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.329 -1.947 -10.124 1.00 0.36 H new ATOM 0 HG LEU A 12 135.077 -0.845 -11.553 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.574 0.946 -9.934 1.00 0.65 H new ATOM 0 HD12 LEU A 12 133.886 0.397 -9.818 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.077 -0.127 -8.604 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.351 -0.611 -10.630 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.936 -1.754 -9.331 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.966 -2.303 -11.024 1.00 0.59 H new ATOM 191 N VAL A 13 132.483 -2.811 -7.758 1.00 0.26 N ATOM 192 CA VAL A 13 131.492 -2.388 -6.765 1.00 0.26 C ATOM 193 C VAL A 13 131.754 -3.034 -5.393 1.00 0.22 C ATOM 194 O VAL A 13 131.176 -2.620 -4.386 1.00 0.24 O ATOM 195 CB VAL A 13 130.054 -2.719 -7.230 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.819 -4.223 -7.252 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.024 -2.020 -6.349 1.00 0.53 C ATOM 0 H VAL A 13 132.112 -3.423 -8.485 1.00 0.26 H new ATOM 0 HA VAL A 13 131.589 -1.307 -6.663 1.00 0.26 H new ATOM 0 HB VAL A 13 129.937 -2.347 -8.248 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.801 -4.427 -7.582 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.524 -4.691 -7.939 1.00 0.61 H new ATOM 0 HG13 VAL A 13 129.964 -4.629 -6.251 1.00 0.61 H new ATOM 0 HG21 VAL A 13 128.021 -2.268 -6.695 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.144 -2.350 -5.317 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.171 -0.941 -6.404 1.00 0.53 H new ATOM 207 N LYS A 14 132.648 -4.031 -5.356 1.00 0.24 N ATOM 208 CA LYS A 14 133.002 -4.704 -4.108 1.00 0.23 C ATOM 209 C LYS A 14 134.107 -3.925 -3.401 1.00 0.21 C ATOM 210 O LYS A 14 133.996 -3.614 -2.214 1.00 0.28 O ATOM 211 CB LYS A 14 133.456 -6.145 -4.371 1.00 0.30 C ATOM 212 CG LYS A 14 133.688 -6.956 -3.105 1.00 0.84 C ATOM 213 CD LYS A 14 133.887 -8.433 -3.415 1.00 0.68 C ATOM 214 CE LYS A 14 133.285 -9.319 -2.333 1.00 0.73 C ATOM 215 NZ LYS A 14 132.915 -10.665 -2.855 1.00 0.75 N ATOM 0 H LYS A 14 133.137 -4.386 -6.178 1.00 0.24 H new ATOM 0 HA LYS A 14 132.119 -4.740 -3.470 1.00 0.23 H new ATOM 0 HB2 LYS A 14 132.705 -6.647 -4.981 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.378 -6.125 -4.953 1.00 0.30 H new ATOM 0 HG2 LYS A 14 134.564 -6.572 -2.582 1.00 0.84 H new ATOM 0 HG3 LYS A 14 132.837 -6.836 -2.434 1.00 0.84 H new ATOM 0 HD2 LYS A 14 133.429 -8.669 -4.376 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.952 -8.645 -3.509 1.00 0.68 H new ATOM 0 HE2 LYS A 14 133.999 -9.430 -1.517 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.400 -8.835 -1.919 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.509 -11.236 -2.086 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 132.214 -10.561 -3.617 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.763 -11.138 -3.227 1.00 0.75 H new ATOM 229 N HIS A 15 135.169 -3.604 -4.149 1.00 0.25 N ATOM 230 CA HIS A 15 136.294 -2.845 -3.607 1.00 0.27 C ATOM 231 C HIS A 15 135.801 -1.518 -3.037 1.00 0.23 C ATOM 232 O HIS A 15 135.927 -1.269 -1.839 1.00 0.43 O ATOM 233 CB HIS A 15 137.353 -2.596 -4.689 1.00 0.33 C ATOM 234 CG HIS A 15 138.190 -3.798 -5.008 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.484 -3.710 -5.480 1.00 0.85 N ATOM 236 CD2 HIS A 15 137.914 -5.122 -4.922 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.965 -4.926 -5.671 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.033 -5.799 -5.339 1.00 0.72 N ATOM 0 H HIS A 15 135.270 -3.860 -5.131 1.00 0.25 H new ATOM 0 HA HIS A 15 136.752 -3.428 -2.808 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.856 -2.259 -5.599 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.006 -1.786 -4.364 1.00 0.33 H new ATOM 0 HD2 HIS A 15 136.986 -5.563 -4.588 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.953 -5.165 -6.037 1.00 0.88 H new ATOM 0 HE2 HIS A 15 139.129 -6.813 -5.385 1.00 0.72 H new ATOM 247 N LYS A 16 135.254 -0.663 -3.910 1.00 0.21 N ATOM 248 CA LYS A 16 134.747 0.651 -3.514 1.00 0.25 C ATOM 249 C LYS A 16 133.943 0.604 -2.212 1.00 0.32 C ATOM 250 O LYS A 16 134.148 1.443 -1.333 1.00 0.62 O ATOM 251 CB LYS A 16 133.881 1.240 -4.632 1.00 0.37 C ATOM 252 CG LYS A 16 134.673 1.643 -5.866 1.00 0.50 C ATOM 253 CD LYS A 16 133.757 2.011 -7.023 1.00 0.57 C ATOM 254 CE LYS A 16 133.385 3.487 -6.996 1.00 0.59 C ATOM 255 NZ LYS A 16 131.943 3.698 -6.685 1.00 0.66 N ATOM 0 H LYS A 16 135.152 -0.864 -4.905 1.00 0.21 H new ATOM 0 HA LYS A 16 135.615 1.286 -3.339 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.125 0.509 -4.918 1.00 0.37 H new ATOM 0 HB3 LYS A 16 133.352 2.113 -4.249 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.316 2.490 -5.626 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.326 0.822 -6.164 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.250 1.777 -7.967 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.851 1.406 -6.977 1.00 0.57 H new ATOM 0 HE2 LYS A 16 133.994 4.000 -6.252 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.616 3.936 -7.962 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 131.735 4.717 -6.677 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.360 3.231 -7.409 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 131.726 3.293 -5.752 1.00 0.66 H new ATOM 269 N GLU A 17 133.030 -0.367 -2.079 1.00 0.32 N ATOM 270 CA GLU A 17 132.213 -0.487 -0.868 1.00 0.39 C ATOM 271 C GLU A 17 133.059 -0.921 0.329 1.00 0.32 C ATOM 272 O GLU A 17 132.833 -0.465 1.451 1.00 0.40 O ATOM 273 CB GLU A 17 131.071 -1.483 -1.094 1.00 0.51 C ATOM 274 CG GLU A 17 130.030 -1.485 0.016 1.00 0.80 C ATOM 275 CD GLU A 17 130.040 -2.767 0.826 1.00 1.08 C ATOM 276 OE1 GLU A 17 130.862 -2.872 1.763 1.00 1.47 O ATOM 277 OE2 GLU A 17 129.226 -3.665 0.526 1.00 1.43 O ATOM 0 H GLU A 17 132.841 -1.074 -2.789 1.00 0.32 H new ATOM 0 HA GLU A 17 131.792 0.494 -0.648 1.00 0.39 H new ATOM 0 HB2 GLU A 17 130.580 -1.251 -2.039 1.00 0.51 H new ATOM 0 HB3 GLU A 17 131.489 -2.485 -1.190 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.211 -0.639 0.680 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.041 -1.343 -0.419 1.00 0.80 H new ATOM 284 N LEU A 18 134.048 -1.785 0.081 1.00 0.32 N ATOM 285 CA LEU A 18 134.941 -2.252 1.140 1.00 0.34 C ATOM 286 C LEU A 18 135.727 -1.076 1.713 1.00 0.33 C ATOM 287 O LEU A 18 135.915 -0.974 2.927 1.00 0.66 O ATOM 288 CB LEU A 18 135.905 -3.319 0.610 1.00 0.53 C ATOM 289 CG LEU A 18 135.405 -4.761 0.718 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.173 -5.667 -0.234 1.00 0.86 C ATOM 291 CD2 LEU A 18 135.527 -5.262 2.151 1.00 0.79 C ATOM 0 H LEU A 18 134.248 -2.173 -0.841 1.00 0.32 H new ATOM 0 HA LEU A 18 134.336 -2.699 1.929 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.120 -3.104 -0.437 1.00 0.53 H new ATOM 0 HB3 LEU A 18 136.847 -3.236 1.153 1.00 0.53 H new ATOM 0 HG LEU A 18 134.353 -4.782 0.435 1.00 0.67 H new ATOM 0 HD11 LEU A 18 135.803 -6.688 -0.142 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.033 -5.321 -1.258 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.234 -5.642 0.016 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.167 -6.289 2.209 1.00 0.79 H new ATOM 0 HD22 LEU A 18 136.571 -5.225 2.462 1.00 0.79 H new ATOM 0 HD23 LEU A 18 134.930 -4.630 2.809 1.00 0.79 H new ATOM 303 N LEU A 19 136.166 -0.180 0.824 1.00 0.43 N ATOM 304 CA LEU A 19 136.913 1.007 1.227 1.00 0.44 C ATOM 305 C LEU A 19 136.008 1.978 1.985 1.00 0.30 C ATOM 306 O LEU A 19 136.455 2.659 2.910 1.00 0.45 O ATOM 307 CB LEU A 19 137.513 1.704 -0.001 1.00 0.57 C ATOM 308 CG LEU A 19 139.043 1.761 -0.035 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.540 1.947 -1.462 1.00 0.88 C ATOM 310 CD2 LEU A 19 139.554 2.881 0.860 1.00 0.94 C ATOM 0 H LEU A 19 136.014 -0.258 -0.182 1.00 0.43 H new ATOM 0 HA LEU A 19 137.722 0.694 1.886 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.164 1.190 -0.897 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.126 2.722 -0.046 1.00 0.57 H new ATOM 0 HG LEU A 19 139.431 0.815 0.342 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.629 1.985 -1.466 1.00 0.88 H new ATOM 0 HD12 LEU A 19 139.204 1.111 -2.076 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.143 2.878 -1.867 1.00 0.88 H new ATOM 0 HD21 LEU A 19 140.643 2.907 0.824 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.156 3.835 0.513 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.229 2.704 1.885 1.00 0.94 H new ATOM 322 N ARG A 20 134.728 2.028 1.593 1.00 0.32 N ATOM 323 CA ARG A 20 133.761 2.907 2.245 1.00 0.50 C ATOM 324 C ARG A 20 133.563 2.494 3.698 1.00 0.40 C ATOM 325 O ARG A 20 133.834 3.284 4.604 1.00 0.47 O ATOM 326 CB ARG A 20 132.424 2.881 1.494 1.00 0.78 C ATOM 327 CG ARG A 20 132.339 3.893 0.362 1.00 0.89 C ATOM 328 CD ARG A 20 131.804 5.231 0.849 1.00 0.98 C ATOM 329 NE ARG A 20 132.208 6.334 -0.023 1.00 1.06 N ATOM 330 CZ ARG A 20 131.457 6.825 -1.015 1.00 1.17 C ATOM 331 NH1 ARG A 20 130.255 6.314 -1.276 1.00 1.74 N ATOM 332 NH2 ARG A 20 131.914 7.831 -1.752 1.00 1.60 N ATOM 0 H ARG A 20 134.344 1.471 0.830 1.00 0.32 H new ATOM 0 HA ARG A 20 134.150 3.925 2.225 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.264 1.882 1.089 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.616 3.071 2.201 1.00 0.78 H new ATOM 0 HG2 ARG A 20 133.327 4.033 -0.077 1.00 0.89 H new ATOM 0 HG3 ARG A 20 131.692 3.506 -0.425 1.00 0.89 H new ATOM 0 HD2 ARG A 20 130.716 5.189 0.900 1.00 0.98 H new ATOM 0 HD3 ARG A 20 132.164 5.419 1.861 1.00 0.98 H new ATOM 0 HE ARG A 20 133.123 6.756 0.136 1.00 1.06 H new ATOM 0 HH11 ARG A 20 129.898 5.540 -0.717 1.00 1.74 H new ATOM 0 HH12 ARG A 20 129.692 6.697 -2.035 1.00 1.74 H new ATOM 0 HH21 ARG A 20 132.835 8.226 -1.561 1.00 1.60 H new ATOM 0 HH22 ARG A 20 131.344 8.208 -2.509 1.00 1.60 H new ATOM 346 N ARG A 21 133.091 1.262 3.930 1.00 0.36 N ATOM 347 CA ARG A 21 132.865 0.764 5.286 1.00 0.37 C ATOM 348 C ARG A 21 134.092 0.969 6.170 1.00 0.35 C ATOM 349 O ARG A 21 133.959 1.357 7.328 1.00 0.49 O ATOM 350 CB ARG A 21 132.501 -0.725 5.242 1.00 0.47 C ATOM 351 CG ARG A 21 131.563 -1.163 6.356 1.00 0.71 C ATOM 352 CD ARG A 21 131.264 -2.653 6.277 1.00 0.94 C ATOM 353 NE ARG A 21 130.994 -3.233 7.595 1.00 0.95 N ATOM 354 CZ ARG A 21 131.453 -4.421 8.006 1.00 1.19 C ATOM 355 NH1 ARG A 21 132.213 -5.171 7.211 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.146 -4.862 9.221 1.00 1.50 N ATOM 0 H ARG A 21 132.859 0.595 3.194 1.00 0.36 H new ATOM 0 HA ARG A 21 132.040 1.331 5.717 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.037 -0.947 4.281 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.416 -1.315 5.298 1.00 0.47 H new ATOM 0 HG2 ARG A 21 132.010 -0.931 7.323 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.632 -0.600 6.292 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.404 -2.815 5.627 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.110 -3.168 5.821 1.00 0.94 H new ATOM 0 HE ARG A 21 130.418 -2.695 8.243 1.00 0.95 H new ATOM 0 HH11 ARG A 21 132.452 -4.842 6.276 1.00 2.03 H new ATOM 0 HH12 ARG A 21 132.556 -6.074 7.537 1.00 2.03 H new ATOM 0 HH21 ARG A 21 130.562 -4.296 9.837 1.00 1.50 H new ATOM 0 HH22 ARG A 21 131.494 -5.767 9.538 1.00 1.50 H new ATOM 370 N LYS A 22 135.284 0.706 5.620 1.00 0.33 N ATOM 371 CA LYS A 22 136.529 0.872 6.373 1.00 0.41 C ATOM 372 C LYS A 22 136.523 2.201 7.128 1.00 0.34 C ATOM 373 O LYS A 22 136.846 2.251 8.316 1.00 0.36 O ATOM 374 CB LYS A 22 137.741 0.793 5.440 1.00 0.56 C ATOM 375 CG LYS A 22 138.859 -0.088 5.977 1.00 0.77 C ATOM 376 CD LYS A 22 139.918 -0.359 4.920 1.00 0.95 C ATOM 377 CE LYS A 22 141.086 0.609 5.036 1.00 0.76 C ATOM 378 NZ LYS A 22 142.362 -0.091 5.356 1.00 0.71 N ATOM 0 H LYS A 22 135.410 0.379 4.662 1.00 0.33 H new ATOM 0 HA LYS A 22 136.601 0.061 7.098 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.420 0.410 4.471 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.128 1.798 5.273 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.320 0.394 6.839 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.442 -1.033 6.325 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.281 -1.382 5.022 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.473 -0.276 3.929 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.198 1.156 4.100 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.872 1.344 5.811 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 143.132 0.605 5.426 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 142.265 -0.592 6.262 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.581 -0.775 4.604 1.00 0.71 H new ATOM 392 N ASP A 23 136.132 3.271 6.432 1.00 0.34 N ATOM 393 CA ASP A 23 136.053 4.600 7.032 1.00 0.32 C ATOM 394 C ASP A 23 134.894 4.654 8.030 1.00 0.29 C ATOM 395 O ASP A 23 135.093 4.909 9.215 1.00 0.34 O ATOM 396 CB ASP A 23 135.870 5.656 5.933 1.00 0.37 C ATOM 397 CG ASP A 23 137.177 6.015 5.251 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.554 5.316 4.286 1.00 1.17 O ATOM 399 OD2 ASP A 23 137.825 6.993 5.682 1.00 1.15 O ATOM 0 H ASP A 23 135.865 3.240 5.448 1.00 0.34 H new ATOM 0 HA ASP A 23 136.979 4.810 7.567 1.00 0.32 H new ATOM 0 HB2 ASP A 23 135.166 5.284 5.189 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.431 6.555 6.366 1.00 0.37 H new ATOM 404 N THR A 24 133.680 4.412 7.531 1.00 0.27 N ATOM 405 CA THR A 24 132.473 4.424 8.364 1.00 0.28 C ATOM 406 C THR A 24 132.678 3.653 9.677 1.00 0.27 C ATOM 407 O THR A 24 132.174 4.061 10.725 1.00 0.32 O ATOM 408 CB THR A 24 131.296 3.822 7.589 1.00 0.31 C ATOM 409 OG1 THR A 24 131.197 4.396 6.295 1.00 0.52 O ATOM 410 CG2 THR A 24 129.963 4.012 8.280 1.00 0.53 C ATOM 0 H THR A 24 133.505 4.204 6.548 1.00 0.27 H new ATOM 0 HA THR A 24 132.256 5.462 8.616 1.00 0.28 H new ATOM 0 HB THR A 24 131.507 2.754 7.531 1.00 0.31 H new ATOM 0 HG1 THR A 24 130.441 3.996 5.817 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.174 3.562 7.678 1.00 0.53 H new ATOM 0 HG22 THR A 24 129.989 3.534 9.259 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.765 5.077 8.402 1.00 0.53 H new ATOM 418 N HIS A 25 133.406 2.533 9.610 1.00 0.27 N ATOM 419 CA HIS A 25 133.665 1.699 10.786 1.00 0.31 C ATOM 420 C HIS A 25 134.605 2.384 11.777 1.00 0.33 C ATOM 421 O HIS A 25 134.361 2.351 12.982 1.00 0.43 O ATOM 422 CB HIS A 25 134.240 0.343 10.368 1.00 0.37 C ATOM 423 CG HIS A 25 133.922 -0.765 11.324 1.00 0.38 C ATOM 424 ND1 HIS A 25 134.552 -0.913 12.543 1.00 0.92 N ATOM 425 CD2 HIS A 25 133.035 -1.784 11.235 1.00 0.92 C ATOM 426 CE1 HIS A 25 134.066 -1.976 13.161 1.00 0.79 C ATOM 427 NE2 HIS A 25 133.144 -2.521 12.388 1.00 0.75 N ATOM 0 H HIS A 25 133.827 2.183 8.749 1.00 0.27 H new ATOM 0 HA HIS A 25 132.710 1.544 11.288 1.00 0.31 H new ATOM 0 HB2 HIS A 25 133.854 0.083 9.382 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.322 0.430 10.274 1.00 0.37 H new ATOM 0 HD2 HIS A 25 132.366 -1.980 10.410 1.00 0.92 H new ATOM 0 HE1 HIS A 25 134.371 -2.337 14.132 1.00 0.79 H new ATOM 0 HE2 HIS A 25 132.601 -3.355 12.612 1.00 0.75 H new ATOM 436 N ILE A 26 135.673 3.018 11.289 1.00 0.31 N ATOM 437 CA ILE A 26 136.588 3.709 12.194 1.00 0.35 C ATOM 438 C ILE A 26 135.862 4.892 12.834 1.00 0.34 C ATOM 439 O ILE A 26 135.964 5.113 14.042 1.00 0.46 O ATOM 440 CB ILE A 26 137.897 4.183 11.507 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.612 4.963 10.221 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.797 2.990 11.213 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.844 5.592 9.605 1.00 0.68 C ATOM 0 H ILE A 26 135.920 3.067 10.301 1.00 0.31 H new ATOM 0 HA ILE A 26 136.894 2.991 12.955 1.00 0.35 H new ATOM 0 HB ILE A 26 138.407 4.857 12.195 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.155 4.292 9.493 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.884 5.745 10.435 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.712 3.335 10.731 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.046 2.484 12.146 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.278 2.297 10.552 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.564 6.128 8.698 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.290 6.289 10.315 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.566 4.813 9.359 1.00 0.68 H new ATOM 455 N ARG A 27 135.117 5.641 12.011 1.00 0.29 N ATOM 456 CA ARG A 27 134.355 6.795 12.480 1.00 0.35 C ATOM 457 C ARG A 27 133.331 6.397 13.549 1.00 0.34 C ATOM 458 O ARG A 27 133.224 7.066 14.579 1.00 0.39 O ATOM 459 CB ARG A 27 133.646 7.471 11.303 1.00 0.44 C ATOM 460 CG ARG A 27 133.057 8.831 11.642 1.00 0.52 C ATOM 461 CD ARG A 27 131.633 8.965 11.127 1.00 0.81 C ATOM 462 NE ARG A 27 131.253 10.361 10.906 1.00 0.91 N ATOM 463 CZ ARG A 27 130.019 10.757 10.580 1.00 0.92 C ATOM 464 NH1 ARG A 27 129.041 9.866 10.433 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.762 12.048 10.401 1.00 1.68 N ATOM 0 H ARG A 27 135.029 5.463 11.011 1.00 0.29 H new ATOM 0 HA ARG A 27 135.057 7.496 12.932 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.354 7.586 10.482 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.849 6.818 10.947 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.069 8.975 12.722 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.677 9.616 11.209 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.533 8.411 10.194 1.00 0.81 H new ATOM 0 HD3 ARG A 27 130.946 8.512 11.842 1.00 0.81 H new ATOM 0 HE ARG A 27 131.974 11.075 11.007 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.231 8.873 10.569 1.00 1.19 H new ATOM 0 HH12 ARG A 27 128.102 10.176 10.184 1.00 1.19 H new ATOM 0 HH21 ARG A 27 130.506 12.736 10.512 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.820 12.351 10.152 1.00 1.68 H new ATOM 479 N GLU A 28 132.580 5.310 13.312 1.00 0.33 N ATOM 480 CA GLU A 28 131.584 4.860 14.288 1.00 0.38 C ATOM 481 C GLU A 28 132.275 4.421 15.578 1.00 0.37 C ATOM 482 O GLU A 28 131.866 4.817 16.671 1.00 0.47 O ATOM 483 CB GLU A 28 130.682 3.747 13.724 1.00 0.48 C ATOM 484 CG GLU A 28 131.410 2.483 13.291 1.00 0.81 C ATOM 485 CD GLU A 28 131.494 1.429 14.386 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.505 1.257 15.130 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.549 0.771 14.494 1.00 1.85 O ATOM 0 H GLU A 28 132.643 4.738 12.470 1.00 0.33 H new ATOM 0 HA GLU A 28 130.930 5.702 14.513 1.00 0.38 H new ATOM 0 HB2 GLU A 28 129.943 3.481 14.480 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.134 4.143 12.869 1.00 0.48 H new ATOM 0 HG2 GLU A 28 130.901 2.058 12.426 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.418 2.745 12.971 1.00 0.81 H new ATOM 494 N LEU A 29 133.335 3.614 15.448 1.00 0.34 N ATOM 495 CA LEU A 29 134.094 3.141 16.608 1.00 0.38 C ATOM 496 C LEU A 29 134.807 4.297 17.328 1.00 0.42 C ATOM 497 O LEU A 29 135.327 4.118 18.431 1.00 0.80 O ATOM 498 CB LEU A 29 135.120 2.090 16.178 1.00 0.48 C ATOM 499 CG LEU A 29 135.380 0.982 17.204 1.00 0.49 C ATOM 500 CD1 LEU A 29 135.025 -0.380 16.625 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.832 1.009 17.664 1.00 0.58 C ATOM 0 H LEU A 29 133.685 3.276 14.551 1.00 0.34 H new ATOM 0 HA LEU A 29 133.384 2.694 17.304 1.00 0.38 H new ATOM 0 HB2 LEU A 29 134.781 1.632 15.249 1.00 0.48 H new ATOM 0 HB3 LEU A 29 136.063 2.592 15.961 1.00 0.48 H new ATOM 0 HG LEU A 29 134.743 1.160 18.070 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.217 -1.153 17.369 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.970 -0.395 16.350 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.633 -0.569 15.740 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.998 0.215 18.392 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.488 0.858 16.807 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.051 1.973 18.123 1.00 0.58 H new ATOM 513 N GLU A 30 134.811 5.484 16.709 1.00 0.42 N ATOM 514 CA GLU A 30 135.439 6.661 17.303 1.00 0.46 C ATOM 515 C GLU A 30 134.517 7.292 18.350 1.00 0.46 C ATOM 516 O GLU A 30 134.985 7.935 19.291 1.00 0.61 O ATOM 517 CB GLU A 30 135.800 7.686 16.223 1.00 0.51 C ATOM 518 CG GLU A 30 137.282 7.711 15.878 1.00 0.57 C ATOM 519 CD GLU A 30 138.128 8.334 16.974 1.00 0.91 C ATOM 520 OE1 GLU A 30 138.503 7.608 17.920 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.413 9.546 16.886 1.00 1.24 O ATOM 0 H GLU A 30 134.385 5.650 15.797 1.00 0.42 H new ATOM 0 HA GLU A 30 136.358 6.344 17.796 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.229 7.467 15.321 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.497 8.678 16.559 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.625 6.693 15.694 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.426 8.268 14.952 1.00 0.57 H new ATOM 528 N ASP A 31 133.204 7.077 18.194 1.00 0.43 N ATOM 529 CA ASP A 31 132.214 7.593 19.138 1.00 0.58 C ATOM 530 C ASP A 31 132.134 6.693 20.377 1.00 0.59 C ATOM 531 O ASP A 31 131.688 7.125 21.441 1.00 0.78 O ATOM 532 CB ASP A 31 130.841 7.694 18.466 1.00 0.71 C ATOM 533 CG ASP A 31 130.535 9.101 17.990 1.00 1.27 C ATOM 534 OD1 ASP A 31 130.933 9.444 16.857 1.00 1.73 O ATOM 535 OD2 ASP A 31 129.899 9.860 18.752 1.00 1.65 O ATOM 0 H ASP A 31 132.806 6.547 17.419 1.00 0.43 H new ATOM 0 HA ASP A 31 132.523 8.590 19.453 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.803 7.010 17.618 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.071 7.375 19.168 1.00 0.71 H new ATOM 540 N TYR A 32 132.597 5.446 20.229 1.00 0.51 N ATOM 541 CA TYR A 32 132.611 4.488 21.332 1.00 0.56 C ATOM 542 C TYR A 32 133.754 4.812 22.291 1.00 0.55 C ATOM 543 O TYR A 32 133.602 4.712 23.510 1.00 0.64 O ATOM 544 CB TYR A 32 132.750 3.057 20.803 1.00 0.61 C ATOM 545 CG TYR A 32 131.454 2.480 20.276 1.00 0.70 C ATOM 546 CD1 TYR A 32 130.532 1.891 21.134 1.00 1.15 C ATOM 547 CD2 TYR A 32 131.150 2.527 18.921 1.00 0.98 C ATOM 548 CE1 TYR A 32 129.347 1.365 20.657 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.966 2.004 18.436 1.00 1.19 C ATOM 550 CZ TYR A 32 129.068 1.424 19.307 1.00 1.23 C ATOM 551 OH TYR A 32 127.887 0.902 18.828 1.00 1.55 O ATOM 0 H TYR A 32 132.967 5.080 19.352 1.00 0.51 H new ATOM 0 HA TYR A 32 131.666 4.563 21.870 1.00 0.56 H new ATOM 0 HB2 TYR A 32 133.495 3.043 20.007 1.00 0.61 H new ATOM 0 HB3 TYR A 32 133.125 2.417 21.602 1.00 0.61 H new ATOM 0 HD1 TYR A 32 130.746 1.844 22.192 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.851 2.980 18.235 1.00 0.98 H new ATOM 0 HE1 TYR A 32 128.642 0.910 21.337 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.745 2.049 17.380 1.00 1.19 H new ATOM 0 HH TYR A 32 127.845 1.025 17.857 1.00 1.55 H new ATOM 561 N ILE A 33 134.892 5.226 21.726 1.00 0.53 N ATOM 562 CA ILE A 33 136.061 5.598 22.521 1.00 0.62 C ATOM 563 C ILE A 33 135.923 7.030 23.053 1.00 0.58 C ATOM 564 O ILE A 33 136.658 7.436 23.956 1.00 0.77 O ATOM 565 CB ILE A 33 137.367 5.485 21.699 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.441 4.132 20.982 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.584 5.677 22.597 1.00 0.94 C ATOM 568 CD1 ILE A 33 138.268 4.163 19.715 1.00 0.85 C ATOM 0 H ILE A 33 135.026 5.311 20.718 1.00 0.53 H new ATOM 0 HA ILE A 33 136.113 4.902 23.358 1.00 0.62 H new ATOM 0 HB ILE A 33 137.364 6.273 20.946 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.862 3.392 21.663 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.431 3.803 20.739 1.00 0.82 H new ATOM 0 HG21 ILE A 33 139.493 5.594 22.001 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.543 6.663 23.060 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.588 4.912 23.373 1.00 0.94 H new ATOM 0 HD11 ILE A 33 138.276 3.172 19.261 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.836 4.879 19.016 1.00 0.85 H new ATOM 0 HD13 ILE A 33 139.289 4.461 19.954 1.00 0.85 H new ATOM 580 N ASP A 34 134.974 7.791 22.490 1.00 0.49 N ATOM 581 CA ASP A 34 134.737 9.169 22.910 1.00 0.54 C ATOM 582 C ASP A 34 134.107 9.220 24.301 1.00 0.44 C ATOM 583 O ASP A 34 134.335 10.163 25.048 1.00 0.47 O ATOM 584 CB ASP A 34 133.840 9.890 21.896 1.00 0.75 C ATOM 585 CG ASP A 34 134.321 11.298 21.581 1.00 0.90 C ATOM 586 OD1 ASP A 34 135.552 11.516 21.532 1.00 1.49 O ATOM 587 OD2 ASP A 34 133.465 12.183 21.379 1.00 1.42 O ATOM 0 H ASP A 34 134.360 7.470 21.742 1.00 0.49 H new ATOM 0 HA ASP A 34 135.700 9.677 22.954 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.801 9.309 20.974 1.00 0.75 H new ATOM 0 HB3 ASP A 34 132.823 9.937 22.286 1.00 0.75 H new ATOM 592 N ASN A 35 133.327 8.193 24.643 1.00 0.53 N ATOM 593 CA ASN A 35 132.672 8.109 25.952 1.00 0.57 C ATOM 594 C ASN A 35 133.657 8.434 27.073 1.00 0.47 C ATOM 595 O ASN A 35 133.303 9.105 28.044 1.00 0.58 O ATOM 596 CB ASN A 35 132.078 6.714 26.167 1.00 0.74 C ATOM 597 CG ASN A 35 130.806 6.498 25.369 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.791 7.152 25.611 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.852 5.577 24.411 1.00 1.32 N ATOM 0 H ASN A 35 133.132 7.403 24.028 1.00 0.53 H new ATOM 0 HA ASN A 35 131.866 8.843 25.973 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.814 5.961 25.884 1.00 0.74 H new ATOM 0 HB3 ASN A 35 131.867 6.571 27.227 1.00 0.74 H new ATOM 0 HD21 ASN A 35 130.025 5.390 23.843 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.714 5.058 24.244 1.00 1.32 H new ATOM 606 N LEU A 36 134.900 7.970 26.920 1.00 0.42 N ATOM 607 CA LEU A 36 135.946 8.228 27.907 1.00 0.47 C ATOM 608 C LEU A 36 136.265 9.722 27.959 1.00 0.42 C ATOM 609 O LEU A 36 136.391 10.301 29.039 1.00 0.53 O ATOM 610 CB LEU A 36 137.215 7.433 27.574 1.00 0.66 C ATOM 611 CG LEU A 36 136.998 5.948 27.264 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.238 5.350 26.616 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.631 5.184 28.530 1.00 1.66 C ATOM 0 H LEU A 36 135.204 7.414 26.121 1.00 0.42 H new ATOM 0 HA LEU A 36 135.582 7.907 28.883 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.700 7.899 26.716 1.00 0.66 H new ATOM 0 HB3 LEU A 36 137.905 7.514 28.414 1.00 0.66 H new ATOM 0 HG LEU A 36 136.170 5.862 26.561 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.065 4.295 26.403 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.453 5.877 25.686 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.086 5.449 27.293 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.481 4.132 28.289 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.436 5.278 29.258 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.713 5.595 28.949 1.00 1.66 H new ATOM 625 N LEU A 37 136.380 10.340 26.778 1.00 0.36 N ATOM 626 CA LEU A 37 136.668 11.767 26.676 1.00 0.40 C ATOM 627 C LEU A 37 135.538 12.505 25.942 1.00 0.32 C ATOM 628 O LEU A 37 135.757 13.140 24.907 1.00 0.42 O ATOM 629 CB LEU A 37 138.011 11.987 25.966 1.00 0.56 C ATOM 630 CG LEU A 37 138.147 11.313 24.596 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.783 12.265 23.592 1.00 0.73 C ATOM 632 CD2 LEU A 37 138.958 10.028 24.708 1.00 0.63 C ATOM 0 H LEU A 37 136.277 9.869 25.879 1.00 0.36 H new ATOM 0 HA LEU A 37 136.735 12.177 27.684 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.166 13.059 25.842 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.809 11.622 26.613 1.00 0.56 H new ATOM 0 HG LEU A 37 137.149 11.056 24.239 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.871 11.769 22.626 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.160 13.154 23.488 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.773 12.555 23.943 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.043 9.565 23.725 1.00 0.63 H new ATOM 0 HD22 LEU A 37 139.953 10.258 25.088 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.458 9.341 25.391 1.00 0.63 H new ATOM 644 N VAL A 38 134.327 12.409 26.507 1.00 0.29 N ATOM 645 CA VAL A 38 133.131 13.059 25.957 1.00 0.41 C ATOM 646 C VAL A 38 132.078 13.237 27.062 1.00 0.38 C ATOM 647 O VAL A 38 132.308 12.842 28.208 1.00 0.61 O ATOM 648 CB VAL A 38 132.529 12.263 24.771 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.599 11.161 25.261 1.00 0.97 C ATOM 650 CG2 VAL A 38 131.800 13.192 23.809 1.00 0.99 C ATOM 0 H VAL A 38 134.149 11.878 27.359 1.00 0.29 H new ATOM 0 HA VAL A 38 133.432 14.035 25.576 1.00 0.41 H new ATOM 0 HB VAL A 38 133.354 11.793 24.235 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.193 10.621 24.406 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.155 10.471 25.895 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.782 11.602 25.833 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.386 12.611 22.985 1.00 0.99 H new ATOM 0 HG22 VAL A 38 130.993 13.700 24.336 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.499 13.931 23.417 1.00 0.99 H new ATOM 660 N ARG A 39 130.917 13.803 26.718 1.00 0.44 N ATOM 661 CA ARG A 39 129.844 13.992 27.691 1.00 0.47 C ATOM 662 C ARG A 39 129.047 12.697 27.858 1.00 0.53 C ATOM 663 O ARG A 39 128.206 12.361 27.020 1.00 0.86 O ATOM 664 CB ARG A 39 128.918 15.133 27.249 1.00 0.59 C ATOM 665 CG ARG A 39 127.655 15.262 28.089 1.00 0.75 C ATOM 666 CD ARG A 39 127.688 16.502 28.968 1.00 0.97 C ATOM 667 NE ARG A 39 127.172 17.682 28.275 1.00 0.93 N ATOM 668 CZ ARG A 39 125.873 17.938 28.094 1.00 1.00 C ATOM 669 NH1 ARG A 39 124.947 17.096 28.548 1.00 1.27 N ATOM 670 NH2 ARG A 39 125.499 19.040 27.454 1.00 1.48 N ATOM 0 H ARG A 39 130.700 14.135 25.778 1.00 0.44 H new ATOM 0 HA ARG A 39 130.287 14.256 28.651 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.469 16.073 27.292 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.636 14.976 26.208 1.00 0.59 H new ATOM 0 HG2 ARG A 39 126.785 15.304 27.434 1.00 0.75 H new ATOM 0 HG3 ARG A 39 127.541 14.376 28.714 1.00 0.75 H new ATOM 0 HD2 ARG A 39 127.099 16.324 29.867 1.00 0.97 H new ATOM 0 HD3 ARG A 39 128.712 16.690 29.290 1.00 0.97 H new ATOM 0 HE ARG A 39 127.847 18.352 27.906 1.00 0.93 H new ATOM 0 HH11 ARG A 39 125.227 16.247 29.039 1.00 1.27 H new ATOM 0 HH12 ARG A 39 123.958 17.300 28.405 1.00 1.27 H new ATOM 0 HH21 ARG A 39 126.203 19.689 27.102 1.00 1.48 H new ATOM 0 HH22 ARG A 39 124.508 19.237 27.315 1.00 1.48 H new ATOM 684 N VAL A 40 129.325 11.973 28.943 1.00 0.46 N ATOM 685 CA VAL A 40 128.641 10.710 29.227 1.00 0.53 C ATOM 686 C VAL A 40 127.229 10.946 29.763 1.00 0.53 C ATOM 687 O VAL A 40 126.942 11.994 30.345 1.00 0.66 O ATOM 688 CB VAL A 40 129.426 9.843 30.239 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.694 9.291 29.604 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.752 10.633 31.503 1.00 0.78 C ATOM 0 H VAL A 40 130.020 12.240 29.640 1.00 0.46 H new ATOM 0 HA VAL A 40 128.581 10.176 28.279 1.00 0.53 H new ATOM 0 HB VAL A 40 128.793 9.003 30.524 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.231 8.684 30.333 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.432 8.677 28.743 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.328 10.117 29.281 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.304 9.998 32.196 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.359 11.501 31.243 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.826 10.965 31.973 1.00 0.78 H new ATOM 700 N MET A 41 126.354 9.960 29.562 1.00 0.53 N ATOM 701 CA MET A 41 124.968 10.047 30.022 1.00 0.60 C ATOM 702 C MET A 41 124.644 8.919 30.998 1.00 0.86 C ATOM 703 O MET A 41 125.254 8.809 32.062 1.00 1.20 O ATOM 704 CB MET A 41 124.006 10.002 28.829 1.00 0.75 C ATOM 705 CG MET A 41 124.201 8.793 27.924 1.00 0.56 C ATOM 706 SD MET A 41 122.698 8.338 27.038 1.00 0.67 S ATOM 707 CE MET A 41 122.683 9.569 25.738 1.00 0.54 C ATOM 0 H MET A 41 126.582 9.089 29.082 1.00 0.53 H new ATOM 0 HA MET A 41 124.844 10.997 30.542 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.981 10.004 29.201 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.132 10.910 28.239 1.00 0.75 H new ATOM 0 HG2 MET A 41 124.992 9.006 27.205 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.535 7.946 28.523 1.00 0.56 H new ATOM 0 HE1 MET A 41 121.809 9.418 25.104 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.643 10.565 26.180 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.588 9.475 25.137 1.00 0.54 H new ATOM 718 N GLY B 1 134.886 4.475 -27.589 1.00 0.61 N ATOM 719 CA GLY B 1 136.299 4.166 -27.951 1.00 0.61 C ATOM 720 C GLY B 1 136.839 2.949 -27.223 1.00 0.52 C ATOM 721 O GLY B 1 136.680 1.820 -27.690 1.00 0.60 O ATOM 0 H1 GLY B 1 134.569 5.314 -28.115 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.280 3.665 -27.832 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.822 4.661 -26.568 1.00 0.61 H new ATOM 0 HA2 GLY B 1 136.366 4.000 -29.026 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.925 5.028 -27.722 1.00 0.61 H new ATOM 727 N SER B 2 137.478 3.182 -26.076 1.00 0.50 N ATOM 728 CA SER B 2 138.045 2.098 -25.272 1.00 0.49 C ATOM 729 C SER B 2 137.248 1.871 -23.991 1.00 0.47 C ATOM 730 O SER B 2 137.723 1.196 -23.076 1.00 0.63 O ATOM 731 CB SER B 2 139.507 2.399 -24.936 1.00 0.55 C ATOM 732 OG SER B 2 140.345 2.163 -26.054 1.00 0.67 O ATOM 0 H SER B 2 137.616 4.113 -25.682 1.00 0.50 H new ATOM 0 HA SER B 2 137.992 1.184 -25.863 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.604 3.437 -24.617 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.827 1.777 -24.100 1.00 0.55 H new ATOM 0 HG SER B 2 141.274 2.364 -25.815 1.00 0.67 H new ATOM 738 N LEU B 3 136.023 2.405 -23.938 1.00 0.48 N ATOM 739 CA LEU B 3 135.164 2.214 -22.777 1.00 0.55 C ATOM 740 C LEU B 3 134.546 0.822 -22.854 1.00 0.65 C ATOM 741 O LEU B 3 133.346 0.663 -23.090 1.00 1.02 O ATOM 742 CB LEU B 3 134.076 3.295 -22.720 1.00 0.62 C ATOM 743 CG LEU B 3 134.414 4.509 -21.848 1.00 0.61 C ATOM 744 CD1 LEU B 3 135.289 5.493 -22.612 1.00 0.61 C ATOM 745 CD2 LEU B 3 133.141 5.188 -21.363 1.00 0.76 C ATOM 0 H LEU B 3 135.611 2.968 -24.682 1.00 0.48 H new ATOM 0 HA LEU B 3 135.754 2.301 -21.865 1.00 0.55 H new ATOM 0 HB2 LEU B 3 133.874 3.640 -23.734 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.156 2.844 -22.348 1.00 0.62 H new ATOM 0 HG LEU B 3 134.972 4.162 -20.978 1.00 0.61 H new ATOM 0 HD11 LEU B 3 135.517 6.347 -21.975 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.216 5.002 -22.907 1.00 0.61 H new ATOM 0 HD13 LEU B 3 134.761 5.835 -23.502 1.00 0.61 H new ATOM 0 HD21 LEU B 3 133.400 6.048 -20.745 1.00 0.76 H new ATOM 0 HD22 LEU B 3 132.556 5.520 -22.221 1.00 0.76 H new ATOM 0 HD23 LEU B 3 132.554 4.483 -20.775 1.00 0.76 H new ATOM 757 N THR B 4 135.397 -0.186 -22.669 1.00 0.46 N ATOM 758 CA THR B 4 134.998 -1.585 -22.725 1.00 0.55 C ATOM 759 C THR B 4 135.914 -2.404 -21.811 1.00 0.42 C ATOM 760 O THR B 4 136.503 -1.856 -20.881 1.00 0.43 O ATOM 761 CB THR B 4 135.070 -2.098 -24.173 1.00 0.72 C ATOM 762 OG1 THR B 4 136.333 -1.809 -24.748 1.00 0.70 O ATOM 763 CG2 THR B 4 134.011 -1.502 -25.077 1.00 0.90 C ATOM 0 H THR B 4 136.389 -0.050 -22.475 1.00 0.46 H new ATOM 0 HA THR B 4 133.969 -1.689 -22.382 1.00 0.55 H new ATOM 0 HB THR B 4 134.903 -3.173 -24.103 1.00 0.72 H new ATOM 0 HG1 THR B 4 136.358 -2.145 -25.668 1.00 0.70 H new ATOM 0 HG21 THR B 4 134.121 -1.908 -26.083 1.00 0.90 H new ATOM 0 HG22 THR B 4 133.022 -1.750 -24.692 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.127 -0.419 -25.108 1.00 0.90 H new ATOM 771 N TYR B 5 135.996 -3.714 -22.042 1.00 0.50 N ATOM 772 CA TYR B 5 136.809 -4.617 -21.213 1.00 0.45 C ATOM 773 C TYR B 5 138.162 -4.026 -20.790 1.00 0.41 C ATOM 774 O TYR B 5 138.556 -4.166 -19.631 1.00 0.46 O ATOM 775 CB TYR B 5 137.043 -5.939 -21.951 1.00 0.57 C ATOM 776 CG TYR B 5 136.786 -7.162 -21.101 1.00 0.50 C ATOM 777 CD1 TYR B 5 137.605 -7.465 -20.020 1.00 0.80 C ATOM 778 CD2 TYR B 5 135.724 -8.014 -21.378 1.00 0.69 C ATOM 779 CE1 TYR B 5 137.374 -8.580 -19.240 1.00 0.92 C ATOM 780 CE2 TYR B 5 135.486 -9.132 -20.602 1.00 0.69 C ATOM 781 CZ TYR B 5 136.315 -9.410 -19.535 1.00 0.67 C ATOM 782 OH TYR B 5 136.084 -10.522 -18.760 1.00 0.84 O ATOM 0 H TYR B 5 135.505 -4.182 -22.804 1.00 0.50 H new ATOM 0 HA TYR B 5 136.238 -4.778 -20.299 1.00 0.45 H new ATOM 0 HB2 TYR B 5 136.397 -5.975 -22.828 1.00 0.57 H new ATOM 0 HB3 TYR B 5 138.071 -5.967 -22.311 1.00 0.57 H new ATOM 0 HD1 TYR B 5 138.437 -6.817 -19.786 1.00 0.80 H new ATOM 0 HD2 TYR B 5 135.074 -7.799 -22.213 1.00 0.69 H new ATOM 0 HE1 TYR B 5 138.020 -8.800 -18.403 1.00 0.92 H new ATOM 0 HE2 TYR B 5 134.656 -9.784 -20.829 1.00 0.69 H new ATOM 0 HH TYR B 5 136.439 -11.316 -19.213 1.00 0.84 H new ATOM 792 N GLU B 6 138.883 -3.386 -21.716 1.00 0.49 N ATOM 793 CA GLU B 6 140.196 -2.810 -21.401 1.00 0.50 C ATOM 794 C GLU B 6 140.100 -1.592 -20.472 1.00 0.38 C ATOM 795 O GLU B 6 141.092 -1.210 -19.848 1.00 0.44 O ATOM 796 CB GLU B 6 140.923 -2.417 -22.691 1.00 0.62 C ATOM 797 CG GLU B 6 141.667 -3.570 -23.346 1.00 0.68 C ATOM 798 CD GLU B 6 142.756 -3.099 -24.292 1.00 0.83 C ATOM 799 OE1 GLU B 6 143.896 -2.889 -23.827 1.00 1.01 O ATOM 800 OE2 GLU B 6 142.468 -2.941 -25.497 1.00 1.14 O ATOM 0 H GLU B 6 138.584 -3.254 -22.682 1.00 0.49 H new ATOM 0 HA GLU B 6 140.760 -3.579 -20.873 1.00 0.50 H new ATOM 0 HB2 GLU B 6 140.198 -2.015 -23.399 1.00 0.62 H new ATOM 0 HB3 GLU B 6 141.630 -1.618 -22.470 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.109 -4.198 -22.573 1.00 0.68 H new ATOM 0 HG3 GLU B 6 140.958 -4.191 -23.894 1.00 0.68 H new ATOM 807 N GLU B 7 138.913 -0.990 -20.376 1.00 0.32 N ATOM 808 CA GLU B 7 138.710 0.176 -19.517 1.00 0.29 C ATOM 809 C GLU B 7 138.572 -0.228 -18.051 1.00 0.27 C ATOM 810 O GLU B 7 139.205 0.370 -17.179 1.00 0.43 O ATOM 811 CB GLU B 7 137.472 0.962 -19.956 1.00 0.43 C ATOM 812 CG GLU B 7 137.647 2.472 -19.881 1.00 0.57 C ATOM 813 CD GLU B 7 137.633 2.994 -18.456 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.530 3.205 -17.912 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.726 3.193 -17.885 1.00 0.80 O ATOM 0 H GLU B 7 138.080 -1.291 -20.882 1.00 0.32 H new ATOM 0 HA GLU B 7 139.590 0.811 -19.617 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.221 0.685 -20.980 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.628 0.672 -19.331 1.00 0.43 H new ATOM 0 HG2 GLU B 7 138.589 2.748 -20.355 1.00 0.57 H new ATOM 0 HG3 GLU B 7 136.851 2.954 -20.448 1.00 0.57 H new ATOM 822 N VAL B 8 137.745 -1.242 -17.777 1.00 0.35 N ATOM 823 CA VAL B 8 137.535 -1.711 -16.409 1.00 0.37 C ATOM 824 C VAL B 8 138.772 -2.431 -15.868 1.00 0.28 C ATOM 825 O VAL B 8 139.084 -2.324 -14.682 1.00 0.40 O ATOM 826 CB VAL B 8 136.307 -2.648 -16.313 1.00 0.54 C ATOM 827 CG1 VAL B 8 136.584 -3.989 -16.980 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.893 -2.841 -14.860 1.00 0.78 C ATOM 0 H VAL B 8 137.213 -1.750 -18.483 1.00 0.35 H new ATOM 0 HA VAL B 8 137.349 -0.827 -15.799 1.00 0.37 H new ATOM 0 HB VAL B 8 135.481 -2.177 -16.846 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.703 -4.626 -16.896 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.819 -3.830 -18.033 1.00 0.44 H new ATOM 0 HG13 VAL B 8 137.429 -4.472 -16.489 1.00 0.44 H new ATOM 0 HG21 VAL B 8 135.028 -3.503 -14.813 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.719 -3.283 -14.302 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.636 -1.876 -14.424 1.00 0.78 H new ATOM 838 N LEU B 9 139.467 -3.168 -16.741 1.00 0.35 N ATOM 839 CA LEU B 9 140.666 -3.905 -16.342 1.00 0.49 C ATOM 840 C LEU B 9 141.663 -2.989 -15.632 1.00 0.52 C ATOM 841 O LEU B 9 142.079 -3.272 -14.507 1.00 0.74 O ATOM 842 CB LEU B 9 141.330 -4.561 -17.560 1.00 0.65 C ATOM 843 CG LEU B 9 141.332 -6.093 -17.557 1.00 0.65 C ATOM 844 CD1 LEU B 9 142.130 -6.628 -18.737 1.00 0.85 C ATOM 845 CD2 LEU B 9 141.895 -6.627 -16.245 1.00 0.76 C ATOM 0 H LEU B 9 139.219 -3.269 -17.725 1.00 0.35 H new ATOM 0 HA LEU B 9 140.359 -4.686 -15.646 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.821 -4.216 -18.460 1.00 0.65 H new ATOM 0 HB3 LEU B 9 142.361 -4.213 -17.623 1.00 0.65 H new ATOM 0 HG LEU B 9 140.302 -6.437 -17.653 1.00 0.65 H new ATOM 0 HD11 LEU B 9 142.120 -7.718 -18.719 1.00 0.85 H new ATOM 0 HD12 LEU B 9 141.684 -6.277 -19.667 1.00 0.85 H new ATOM 0 HD13 LEU B 9 143.159 -6.273 -18.672 1.00 0.85 H new ATOM 0 HD21 LEU B 9 141.888 -7.717 -16.263 1.00 0.76 H new ATOM 0 HD22 LEU B 9 142.918 -6.273 -16.117 1.00 0.76 H new ATOM 0 HD23 LEU B 9 141.282 -6.274 -15.416 1.00 0.76 H new ATOM 857 N GLN B 10 142.043 -1.892 -16.295 1.00 0.41 N ATOM 858 CA GLN B 10 142.993 -0.933 -15.728 1.00 0.48 C ATOM 859 C GLN B 10 142.472 -0.301 -14.433 1.00 0.42 C ATOM 860 O GLN B 10 143.260 0.178 -13.619 1.00 0.48 O ATOM 861 CB GLN B 10 143.306 0.165 -16.747 1.00 0.58 C ATOM 862 CG GLN B 10 144.266 -0.275 -17.841 1.00 0.66 C ATOM 863 CD GLN B 10 145.722 -0.158 -17.424 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.172 -0.845 -16.507 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.466 0.713 -18.098 1.00 0.83 N ATOM 0 H GLN B 10 141.706 -1.647 -17.226 1.00 0.41 H new ATOM 0 HA GLN B 10 143.902 -1.484 -15.487 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.375 0.500 -17.205 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.731 1.023 -16.225 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.052 -1.309 -18.113 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.098 0.330 -18.732 1.00 0.66 H new ATOM 0 HE21 GLN B 10 146.052 1.262 -18.851 1.00 0.83 H new ATOM 0 HE22 GLN B 10 147.451 0.832 -17.862 1.00 0.83 H new ATOM 874 N GLU B 11 141.151 -0.315 -14.237 1.00 0.40 N ATOM 875 CA GLU B 11 140.545 0.245 -13.029 1.00 0.42 C ATOM 876 C GLU B 11 140.706 -0.715 -11.846 1.00 0.37 C ATOM 877 O GLU B 11 140.830 -0.283 -10.699 1.00 0.54 O ATOM 878 CB GLU B 11 139.063 0.549 -13.267 1.00 0.48 C ATOM 879 CG GLU B 11 138.825 1.793 -14.111 1.00 0.62 C ATOM 880 CD GLU B 11 137.354 2.136 -14.246 1.00 0.99 C ATOM 881 OE1 GLU B 11 136.813 2.805 -13.338 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.743 1.738 -15.260 1.00 1.61 O ATOM 0 H GLU B 11 140.482 -0.708 -14.899 1.00 0.40 H new ATOM 0 HA GLU B 11 141.059 1.176 -12.789 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.599 -0.307 -13.757 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.567 0.673 -12.304 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.351 2.637 -13.664 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.251 1.641 -15.103 1.00 0.62 H new ATOM 889 N LEU B 12 140.728 -2.017 -12.143 1.00 0.32 N ATOM 890 CA LEU B 12 140.905 -3.041 -11.114 1.00 0.30 C ATOM 891 C LEU B 12 142.353 -3.044 -10.625 1.00 0.28 C ATOM 892 O LEU B 12 142.612 -2.993 -9.421 1.00 0.36 O ATOM 893 CB LEU B 12 140.517 -4.424 -11.656 1.00 0.32 C ATOM 894 CG LEU B 12 139.776 -5.335 -10.670 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.727 -5.857 -9.602 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.603 -4.601 -10.032 1.00 0.54 C ATOM 0 H LEU B 12 140.625 -2.386 -13.089 1.00 0.32 H new ATOM 0 HA LEU B 12 140.251 -2.810 -10.274 1.00 0.30 H new ATOM 0 HB2 LEU B 12 139.891 -4.287 -12.538 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.423 -4.934 -11.984 1.00 0.32 H new ATOM 0 HG LEU B 12 139.383 -6.187 -11.225 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.181 -6.501 -8.913 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.527 -6.426 -10.074 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.154 -5.018 -9.053 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.092 -5.267 -9.336 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.970 -3.727 -9.494 1.00 0.54 H new ATOM 0 HD23 LEU B 12 137.907 -4.284 -10.808 1.00 0.54 H new ATOM 908 N VAL B 13 143.292 -3.089 -11.575 1.00 0.25 N ATOM 909 CA VAL B 13 144.723 -3.079 -11.258 1.00 0.26 C ATOM 910 C VAL B 13 145.174 -1.710 -10.716 1.00 0.22 C ATOM 911 O VAL B 13 146.275 -1.583 -10.176 1.00 0.26 O ATOM 912 CB VAL B 13 145.575 -3.451 -12.494 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.505 -2.359 -13.554 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.019 -3.729 -12.094 1.00 0.52 C ATOM 0 H VAL B 13 143.086 -3.133 -12.573 1.00 0.25 H new ATOM 0 HA VAL B 13 144.878 -3.829 -10.482 1.00 0.26 H new ATOM 0 HB VAL B 13 145.162 -4.363 -12.925 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.113 -2.646 -14.412 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.471 -2.225 -13.870 1.00 0.62 H new ATOM 0 HG13 VAL B 13 145.882 -1.424 -13.139 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.598 -3.988 -12.980 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.445 -2.840 -11.629 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.047 -4.558 -11.386 1.00 0.52 H new ATOM 924 N LYS B 14 144.302 -0.699 -10.830 1.00 0.24 N ATOM 925 CA LYS B 14 144.601 0.639 -10.322 1.00 0.25 C ATOM 926 C LYS B 14 144.229 0.722 -8.845 1.00 0.22 C ATOM 927 O LYS B 14 145.035 1.149 -8.017 1.00 0.29 O ATOM 928 CB LYS B 14 143.848 1.709 -11.120 1.00 0.34 C ATOM 929 CG LYS B 14 144.236 3.134 -10.752 1.00 0.87 C ATOM 930 CD LYS B 14 143.658 4.142 -11.734 1.00 0.75 C ATOM 931 CE LYS B 14 144.605 5.311 -11.961 1.00 0.70 C ATOM 932 NZ LYS B 14 144.392 5.954 -13.289 1.00 0.72 N ATOM 0 H LYS B 14 143.386 -0.786 -11.270 1.00 0.24 H new ATOM 0 HA LYS B 14 145.669 0.824 -10.436 1.00 0.25 H new ATOM 0 HB2 LYS B 14 144.034 1.554 -12.183 1.00 0.34 H new ATOM 0 HB3 LYS B 14 142.777 1.581 -10.962 1.00 0.34 H new ATOM 0 HG2 LYS B 14 143.882 3.360 -9.746 1.00 0.87 H new ATOM 0 HG3 LYS B 14 145.322 3.223 -10.735 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.454 3.649 -12.684 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.705 4.513 -11.356 1.00 0.75 H new ATOM 0 HE2 LYS B 14 144.463 6.051 -11.173 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.635 4.962 -11.888 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 145.057 6.745 -13.402 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 144.553 5.256 -14.043 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.417 6.310 -13.350 1.00 0.72 H new ATOM 946 N HIS B 15 143.001 0.298 -8.525 1.00 0.24 N ATOM 947 CA HIS B 15 142.516 0.307 -7.146 1.00 0.27 C ATOM 948 C HIS B 15 143.454 -0.507 -6.258 1.00 0.25 C ATOM 949 O HIS B 15 144.063 0.033 -5.335 1.00 0.45 O ATOM 950 CB HIS B 15 141.092 -0.257 -7.068 1.00 0.33 C ATOM 951 CG HIS B 15 140.035 0.692 -7.549 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.734 0.666 -7.088 1.00 0.85 N ATOM 953 CD2 HIS B 15 140.089 1.697 -8.457 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.036 1.613 -7.690 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.835 2.252 -8.525 1.00 0.76 N ATOM 0 H HIS B 15 142.327 -0.055 -9.205 1.00 0.24 H new ATOM 0 HA HIS B 15 142.496 1.338 -6.793 1.00 0.27 H new ATOM 0 HB2 HIS B 15 141.041 -1.172 -7.659 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.877 -0.532 -6.035 1.00 0.33 H new ATOM 0 HD2 HIS B 15 140.957 2.004 -9.022 1.00 0.74 H new ATOM 0 HE1 HIS B 15 136.990 1.828 -7.527 1.00 0.89 H new ATOM 0 HE2 HIS B 15 138.564 3.032 -9.124 1.00 0.76 H new ATOM 964 N LYS B 16 143.550 -1.812 -6.535 1.00 0.21 N ATOM 965 CA LYS B 16 144.401 -2.721 -5.765 1.00 0.27 C ATOM 966 C LYS B 16 145.776 -2.121 -5.456 1.00 0.36 C ATOM 967 O LYS B 16 146.240 -2.204 -4.317 1.00 0.69 O ATOM 968 CB LYS B 16 144.575 -4.044 -6.518 1.00 0.35 C ATOM 969 CG LYS B 16 143.308 -4.881 -6.576 1.00 0.46 C ATOM 970 CD LYS B 16 143.464 -6.069 -7.513 1.00 0.49 C ATOM 971 CE LYS B 16 144.024 -7.284 -6.788 1.00 0.53 C ATOM 972 NZ LYS B 16 145.404 -7.622 -7.239 1.00 0.61 N ATOM 0 H LYS B 16 143.042 -2.264 -7.295 1.00 0.21 H new ATOM 0 HA LYS B 16 143.899 -2.895 -4.813 1.00 0.27 H new ATOM 0 HB2 LYS B 16 144.908 -3.833 -7.534 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.363 -4.625 -6.038 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.060 -5.236 -5.576 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.476 -4.260 -6.910 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.497 -6.319 -7.949 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.125 -5.799 -8.337 1.00 0.49 H new ATOM 0 HE2 LYS B 16 144.031 -7.093 -5.715 1.00 0.53 H new ATOM 0 HE3 LYS B 16 143.369 -8.139 -6.956 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 145.745 -8.455 -6.719 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.395 -7.830 -8.258 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 146.036 -6.817 -7.055 1.00 0.61 H new ATOM 986 N GLU B 17 146.431 -1.518 -6.457 1.00 0.30 N ATOM 987 CA GLU B 17 147.752 -0.918 -6.253 1.00 0.38 C ATOM 988 C GLU B 17 147.665 0.327 -5.369 1.00 0.32 C ATOM 989 O GLU B 17 148.552 0.575 -4.551 1.00 0.40 O ATOM 990 CB GLU B 17 148.388 -0.563 -7.600 1.00 0.51 C ATOM 991 CG GLU B 17 149.855 -0.169 -7.501 1.00 0.80 C ATOM 992 CD GLU B 17 150.090 1.298 -7.806 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.929 2.129 -6.887 1.00 1.49 O ATOM 994 OE2 GLU B 17 150.435 1.615 -8.964 1.00 1.47 O ATOM 0 H GLU B 17 146.070 -1.434 -7.407 1.00 0.30 H new ATOM 0 HA GLU B 17 148.378 -1.651 -5.745 1.00 0.38 H new ATOM 0 HB2 GLU B 17 148.295 -1.417 -8.271 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.830 0.258 -8.050 1.00 0.51 H new ATOM 0 HG2 GLU B 17 150.219 -0.390 -6.498 1.00 0.80 H new ATOM 0 HG3 GLU B 17 150.438 -0.777 -8.193 1.00 0.80 H new ATOM 1001 N LEU B 18 146.580 1.093 -5.521 1.00 0.32 N ATOM 1002 CA LEU B 18 146.371 2.294 -4.714 1.00 0.34 C ATOM 1003 C LEU B 18 146.247 1.915 -3.240 1.00 0.35 C ATOM 1004 O LEU B 18 146.791 2.592 -2.365 1.00 0.66 O ATOM 1005 CB LEU B 18 145.115 3.045 -5.169 1.00 0.51 C ATOM 1006 CG LEU B 18 145.344 4.099 -6.255 1.00 0.64 C ATOM 1007 CD1 LEU B 18 144.038 4.431 -6.962 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.965 5.354 -5.657 1.00 0.75 C ATOM 0 H LEU B 18 145.837 0.902 -6.193 1.00 0.32 H new ATOM 0 HA LEU B 18 147.230 2.951 -4.846 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.390 2.319 -5.537 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.667 3.531 -4.302 1.00 0.51 H new ATOM 0 HG LEU B 18 146.037 3.691 -6.991 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.221 5.182 -7.731 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.635 3.530 -7.424 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.321 4.819 -6.239 1.00 0.81 H new ATOM 0 HD21 LEU B 18 146.121 6.093 -6.443 1.00 0.75 H new ATOM 0 HD22 LEU B 18 145.297 5.765 -4.900 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.922 5.104 -5.199 1.00 0.75 H new ATOM 1020 N LEU B 19 145.541 0.810 -2.980 1.00 0.45 N ATOM 1021 CA LEU B 19 145.355 0.312 -1.621 1.00 0.47 C ATOM 1022 C LEU B 19 146.674 -0.218 -1.059 1.00 0.33 C ATOM 1023 O LEU B 19 146.941 -0.092 0.138 1.00 0.45 O ATOM 1024 CB LEU B 19 144.295 -0.796 -1.597 1.00 0.63 C ATOM 1025 CG LEU B 19 143.043 -0.482 -0.772 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.871 -1.338 -1.232 1.00 0.95 C ATOM 1027 CD2 LEU B 19 143.314 -0.697 0.710 1.00 0.96 C ATOM 0 H LEU B 19 145.089 0.244 -3.698 1.00 0.45 H new ATOM 0 HA LEU B 19 145.015 1.139 -0.998 1.00 0.47 H new ATOM 0 HB2 LEU B 19 143.991 -1.009 -2.622 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.751 -1.705 -1.204 1.00 0.63 H new ATOM 0 HG LEU B 19 142.783 0.565 -0.925 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.991 -1.101 -0.634 1.00 0.95 H new ATOM 0 HD12 LEU B 19 141.662 -1.135 -2.282 1.00 0.95 H new ATOM 0 HD13 LEU B 19 142.120 -2.392 -1.109 1.00 0.95 H new ATOM 0 HD21 LEU B 19 142.414 -0.469 1.281 1.00 0.96 H new ATOM 0 HD22 LEU B 19 143.599 -1.735 0.881 1.00 0.96 H new ATOM 0 HD23 LEU B 19 144.123 -0.041 1.031 1.00 0.96 H new ATOM 1039 N ARG B 20 147.502 -0.801 -1.935 1.00 0.35 N ATOM 1040 CA ARG B 20 148.798 -1.337 -1.526 1.00 0.49 C ATOM 1041 C ARG B 20 149.705 -0.217 -1.031 1.00 0.40 C ATOM 1042 O ARG B 20 150.122 -0.230 0.128 1.00 0.49 O ATOM 1043 CB ARG B 20 149.459 -2.086 -2.690 1.00 0.76 C ATOM 1044 CG ARG B 20 149.060 -3.551 -2.777 1.00 0.85 C ATOM 1045 CD ARG B 20 149.988 -4.431 -1.954 1.00 0.96 C ATOM 1046 NE ARG B 20 149.353 -5.694 -1.576 1.00 1.06 N ATOM 1047 CZ ARG B 20 149.488 -6.839 -2.254 1.00 1.13 C ATOM 1048 NH1 ARG B 20 150.234 -6.894 -3.355 1.00 1.68 N ATOM 1049 NH2 ARG B 20 148.870 -7.935 -1.827 1.00 1.59 N ATOM 0 H ARG B 20 147.295 -0.911 -2.928 1.00 0.35 H new ATOM 0 HA ARG B 20 148.639 -2.040 -0.708 1.00 0.49 H new ATOM 0 HB2 ARG B 20 149.197 -1.591 -3.625 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.542 -2.019 -2.586 1.00 0.76 H new ATOM 0 HG2 ARG B 20 148.035 -3.672 -2.425 1.00 0.85 H new ATOM 0 HG3 ARG B 20 149.080 -3.873 -3.818 1.00 0.85 H new ATOM 0 HD2 ARG B 20 150.893 -4.637 -2.525 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.293 -3.895 -1.055 1.00 0.96 H new ATOM 0 HE ARG B 20 148.769 -5.702 -0.740 1.00 1.06 H new ATOM 0 HH11 ARG B 20 150.711 -6.057 -3.690 1.00 1.68 H new ATOM 0 HH12 ARG B 20 150.329 -7.773 -3.863 1.00 1.68 H new ATOM 0 HH21 ARG B 20 148.295 -7.901 -0.985 1.00 1.59 H new ATOM 0 HH22 ARG B 20 148.970 -8.810 -2.341 1.00 1.59 H new ATOM 1063 N ARG B 21 150.015 0.755 -1.902 1.00 0.35 N ATOM 1064 CA ARG B 21 150.875 1.878 -1.530 1.00 0.35 C ATOM 1065 C ARG B 21 150.408 2.539 -0.237 1.00 0.34 C ATOM 1066 O ARG B 21 151.228 2.884 0.610 1.00 0.47 O ATOM 1067 CB ARG B 21 150.901 2.912 -2.662 1.00 0.45 C ATOM 1068 CG ARG B 21 152.214 3.670 -2.773 1.00 0.70 C ATOM 1069 CD ARG B 21 152.166 4.702 -3.892 1.00 0.98 C ATOM 1070 NE ARG B 21 153.028 5.854 -3.617 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.690 7.125 -3.863 1.00 1.25 C ATOM 1072 NH1 ARG B 21 151.504 7.427 -4.387 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.547 8.101 -3.583 1.00 1.53 N ATOM 0 H ARG B 21 149.682 0.782 -2.866 1.00 0.35 H new ATOM 0 HA ARG B 21 151.880 1.489 -1.364 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.703 2.407 -3.607 1.00 0.45 H new ATOM 0 HB3 ARG B 21 150.092 3.626 -2.507 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.431 4.166 -1.827 1.00 0.70 H new ATOM 0 HG3 ARG B 21 153.027 2.968 -2.958 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.473 4.235 -4.828 1.00 0.98 H new ATOM 0 HD3 ARG B 21 151.139 5.042 -4.027 1.00 0.98 H new ATOM 0 HE ARG B 21 153.947 5.675 -3.211 1.00 0.97 H new ATOM 0 HH11 ARG B 21 150.839 6.685 -4.606 1.00 2.12 H new ATOM 0 HH12 ARG B 21 151.260 8.400 -4.569 1.00 2.12 H new ATOM 0 HH21 ARG B 21 154.458 7.880 -3.182 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.293 9.071 -3.769 1.00 1.53 H new ATOM 1087 N LYS B 22 149.089 2.715 -0.090 1.00 0.30 N ATOM 1088 CA LYS B 22 148.527 3.334 1.112 1.00 0.36 C ATOM 1089 C LYS B 22 149.170 2.748 2.369 1.00 0.31 C ATOM 1090 O LYS B 22 149.582 3.484 3.267 1.00 0.36 O ATOM 1091 CB LYS B 22 147.007 3.149 1.157 1.00 0.47 C ATOM 1092 CG LYS B 22 146.255 4.419 1.523 1.00 0.69 C ATOM 1093 CD LYS B 22 144.758 4.271 1.296 1.00 0.86 C ATOM 1094 CE LYS B 22 144.035 3.879 2.577 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.062 4.922 3.010 1.00 0.70 N ATOM 0 H LYS B 22 148.396 2.438 -0.786 1.00 0.30 H new ATOM 0 HA LYS B 22 148.743 4.402 1.077 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.662 2.799 0.184 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.764 2.371 1.880 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.442 4.664 2.568 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.633 5.250 0.928 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.351 5.210 0.920 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.578 3.517 0.530 1.00 0.86 H new ATOM 0 HE2 LYS B 22 143.511 2.936 2.423 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.765 3.713 3.369 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.592 4.616 3.886 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 143.565 5.816 3.182 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 142.350 5.063 2.265 1.00 0.70 H new ATOM 1109 N ASP B 23 149.276 1.417 2.408 1.00 0.32 N ATOM 1110 CA ASP B 23 149.895 0.722 3.533 1.00 0.32 C ATOM 1111 C ASP B 23 151.405 0.977 3.538 1.00 0.30 C ATOM 1112 O ASP B 23 151.949 1.523 4.496 1.00 0.37 O ATOM 1113 CB ASP B 23 149.603 -0.782 3.439 1.00 0.36 C ATOM 1114 CG ASP B 23 148.219 -1.135 3.951 1.00 0.75 C ATOM 1115 OD1 ASP B 23 147.258 -1.067 3.155 1.00 1.15 O ATOM 1116 OD2 ASP B 23 148.096 -1.479 5.146 1.00 1.11 O ATOM 0 H ASP B 23 148.939 0.800 1.669 1.00 0.32 H new ATOM 0 HA ASP B 23 149.477 1.102 4.465 1.00 0.32 H new ATOM 0 HB2 ASP B 23 149.697 -1.104 2.402 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.350 -1.331 4.012 1.00 0.36 H new ATOM 1121 N THR B 24 152.072 0.575 2.456 1.00 0.28 N ATOM 1122 CA THR B 24 153.520 0.755 2.313 1.00 0.29 C ATOM 1123 C THR B 24 153.965 2.171 2.715 1.00 0.27 C ATOM 1124 O THR B 24 155.027 2.344 3.313 1.00 0.32 O ATOM 1125 CB THR B 24 153.942 0.475 0.867 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.393 -0.750 0.407 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.443 0.403 0.683 1.00 0.55 C ATOM 0 H THR B 24 151.629 0.119 1.658 1.00 0.28 H new ATOM 0 HA THR B 24 154.006 0.048 2.985 1.00 0.29 H new ATOM 0 HB THR B 24 153.561 1.318 0.290 1.00 0.32 H new ATOM 0 HG1 THR B 24 153.674 -0.907 -0.519 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.672 0.202 -0.364 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.892 1.352 0.977 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.848 -0.397 1.303 1.00 0.55 H new ATOM 1135 N HIS B 25 153.149 3.175 2.376 1.00 0.26 N ATOM 1136 CA HIS B 25 153.459 4.572 2.691 1.00 0.29 C ATOM 1137 C HIS B 25 153.363 4.854 4.191 1.00 0.31 C ATOM 1138 O HIS B 25 154.231 5.524 4.747 1.00 0.41 O ATOM 1139 CB HIS B 25 152.534 5.516 1.919 1.00 0.34 C ATOM 1140 CG HIS B 25 153.145 6.853 1.632 1.00 0.34 C ATOM 1141 ND1 HIS B 25 153.293 7.836 2.589 1.00 0.86 N ATOM 1142 CD2 HIS B 25 153.648 7.369 0.486 1.00 0.94 C ATOM 1143 CE1 HIS B 25 153.858 8.898 2.043 1.00 0.72 C ATOM 1144 NE2 HIS B 25 154.083 8.640 0.768 1.00 0.74 N ATOM 0 H HIS B 25 152.266 3.044 1.882 1.00 0.26 H new ATOM 0 HA HIS B 25 154.490 4.751 2.384 1.00 0.29 H new ATOM 0 HB2 HIS B 25 152.252 5.045 0.977 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.617 5.660 2.490 1.00 0.34 H new ATOM 0 HD2 HIS B 25 153.698 6.873 -0.472 1.00 0.94 H new ATOM 0 HE1 HIS B 25 154.095 9.820 2.553 1.00 0.72 H new ATOM 0 HE2 HIS B 25 154.511 9.281 0.100 1.00 0.74 H new ATOM 1153 N ILE B 26 152.328 4.342 4.858 1.00 0.29 N ATOM 1154 CA ILE B 26 152.206 4.563 6.297 1.00 0.35 C ATOM 1155 C ILE B 26 153.348 3.845 7.014 1.00 0.35 C ATOM 1156 O ILE B 26 153.978 4.406 7.912 1.00 0.47 O ATOM 1157 CB ILE B 26 150.836 4.119 6.877 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.477 2.693 6.451 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.744 5.090 6.449 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.235 2.151 7.127 1.00 0.68 C ATOM 0 H ILE B 26 151.582 3.787 4.439 1.00 0.29 H new ATOM 0 HA ILE B 26 152.267 5.638 6.465 1.00 0.35 H new ATOM 0 HB ILE B 26 150.917 4.128 7.964 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.331 2.672 5.371 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.317 2.035 6.672 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.788 4.768 6.862 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.980 6.088 6.817 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.681 5.110 5.361 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.043 1.137 6.776 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.384 2.139 8.207 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.383 2.786 6.885 1.00 0.68 H new ATOM 1172 N ARG B 27 153.615 2.601 6.597 1.00 0.31 N ATOM 1173 CA ARG B 27 154.687 1.796 7.177 1.00 0.37 C ATOM 1174 C ARG B 27 156.052 2.476 7.018 1.00 0.34 C ATOM 1175 O ARG B 27 156.826 2.536 7.975 1.00 0.39 O ATOM 1176 CB ARG B 27 154.716 0.411 6.525 1.00 0.46 C ATOM 1177 CG ARG B 27 155.608 -0.587 7.247 1.00 0.53 C ATOM 1178 CD ARG B 27 156.498 -1.344 6.274 1.00 0.80 C ATOM 1179 NE ARG B 27 156.913 -2.645 6.799 1.00 0.90 N ATOM 1180 CZ ARG B 27 157.798 -3.446 6.198 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.362 -3.086 5.048 1.00 1.21 N ATOM 1182 NH2 ARG B 27 158.119 -4.612 6.749 1.00 1.67 N ATOM 0 H ARG B 27 153.097 2.131 5.855 1.00 0.31 H new ATOM 0 HA ARG B 27 154.485 1.692 8.243 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.701 0.016 6.487 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.058 0.511 5.495 1.00 0.46 H new ATOM 0 HG2 ARG B 27 156.227 -0.063 7.976 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.991 -1.293 7.802 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.965 -1.487 5.334 1.00 0.80 H new ATOM 0 HD3 ARG B 27 157.382 -0.746 6.052 1.00 0.80 H new ATOM 0 HE ARG B 27 156.502 -2.960 7.678 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.120 -2.193 4.619 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.037 -3.703 4.596 1.00 1.21 H new ATOM 0 HH21 ARG B 27 157.690 -4.895 7.630 1.00 1.67 H new ATOM 0 HH22 ARG B 27 158.794 -5.224 6.291 1.00 1.67 H new ATOM 1196 N GLU B 28 156.350 2.992 5.815 1.00 0.33 N ATOM 1197 CA GLU B 28 157.631 3.665 5.584 1.00 0.36 C ATOM 1198 C GLU B 28 157.721 4.932 6.435 1.00 0.35 C ATOM 1199 O GLU B 28 158.731 5.164 7.102 1.00 0.44 O ATOM 1200 CB GLU B 28 157.865 3.972 4.093 1.00 0.47 C ATOM 1201 CG GLU B 28 156.822 4.875 3.449 1.00 0.78 C ATOM 1202 CD GLU B 28 157.194 6.350 3.489 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.385 6.675 3.297 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.289 7.182 3.707 1.00 1.79 O ATOM 0 H GLU B 28 155.733 2.956 5.004 1.00 0.33 H new ATOM 0 HA GLU B 28 158.426 2.984 5.888 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.844 4.438 3.983 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.897 3.031 3.545 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.680 4.572 2.412 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.867 4.735 3.956 1.00 0.78 H new ATOM 1211 N LEU B 29 156.654 5.739 6.426 1.00 0.33 N ATOM 1212 CA LEU B 29 156.609 6.971 7.219 1.00 0.38 C ATOM 1213 C LEU B 29 156.617 6.676 8.729 1.00 0.42 C ATOM 1214 O LEU B 29 156.783 7.587 9.541 1.00 0.79 O ATOM 1215 CB LEU B 29 155.362 7.784 6.863 1.00 0.46 C ATOM 1216 CG LEU B 29 155.543 9.303 6.924 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.282 9.930 5.561 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.626 9.910 7.978 1.00 0.59 C ATOM 0 H LEU B 29 155.812 5.561 5.879 1.00 0.33 H new ATOM 0 HA LEU B 29 157.503 7.546 6.980 1.00 0.38 H new ATOM 0 HB2 LEU B 29 155.043 7.511 5.857 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.556 7.501 7.541 1.00 0.46 H new ATOM 0 HG LEU B 29 156.575 9.514 7.205 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.416 11.010 5.626 1.00 0.82 H new ATOM 0 HD12 LEU B 29 155.982 9.521 4.832 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.262 9.709 5.248 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.769 10.990 8.006 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.588 9.688 7.729 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.863 9.487 8.954 1.00 0.59 H new ATOM 1230 N GLU B 30 156.467 5.396 9.094 1.00 0.43 N ATOM 1231 CA GLU B 30 156.485 4.988 10.496 1.00 0.45 C ATOM 1232 C GLU B 30 157.925 4.885 11.009 1.00 0.44 C ATOM 1233 O GLU B 30 158.178 5.055 12.204 1.00 0.58 O ATOM 1234 CB GLU B 30 155.756 3.653 10.682 1.00 0.51 C ATOM 1235 CG GLU B 30 154.364 3.800 11.279 1.00 0.58 C ATOM 1236 CD GLU B 30 154.394 4.168 12.751 1.00 0.93 C ATOM 1237 OE1 GLU B 30 154.500 5.375 13.060 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.313 3.251 13.595 1.00 1.26 O ATOM 0 H GLU B 30 156.332 4.629 8.435 1.00 0.43 H new ATOM 0 HA GLU B 30 155.964 5.748 11.077 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.678 3.153 9.717 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.353 3.009 11.327 1.00 0.51 H new ATOM 0 HG2 GLU B 30 153.816 4.565 10.729 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.819 2.865 11.154 1.00 0.58 H new ATOM 1245 N ASP B 31 158.868 4.638 10.091 1.00 0.41 N ATOM 1246 CA ASP B 31 160.286 4.548 10.439 1.00 0.55 C ATOM 1247 C ASP B 31 160.899 5.949 10.568 1.00 0.57 C ATOM 1248 O ASP B 31 161.927 6.129 11.222 1.00 0.76 O ATOM 1249 CB ASP B 31 161.041 3.737 9.380 1.00 0.69 C ATOM 1250 CG ASP B 31 161.255 2.297 9.801 1.00 1.28 C ATOM 1251 OD1 ASP B 31 160.354 1.467 9.558 1.00 1.74 O ATOM 1252 OD2 ASP B 31 162.323 1.999 10.377 1.00 1.66 O ATOM 0 H ASP B 31 158.671 4.497 9.100 1.00 0.41 H new ATOM 0 HA ASP B 31 160.374 4.041 11.400 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.484 3.760 8.443 1.00 0.69 H new ATOM 0 HB3 ASP B 31 162.007 4.204 9.188 1.00 0.69 H new ATOM 1257 N TYR B 32 160.232 6.940 9.963 1.00 0.49 N ATOM 1258 CA TYR B 32 160.679 8.329 10.029 1.00 0.56 C ATOM 1259 C TYR B 32 160.342 8.921 11.396 1.00 0.56 C ATOM 1260 O TYR B 32 161.132 9.674 11.968 1.00 0.67 O ATOM 1261 CB TYR B 32 160.035 9.158 8.915 1.00 0.60 C ATOM 1262 CG TYR B 32 160.698 8.975 7.567 1.00 0.69 C ATOM 1263 CD1 TYR B 32 161.829 9.705 7.222 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.193 8.071 6.640 1.00 0.96 C ATOM 1265 CE1 TYR B 32 162.438 9.539 5.992 1.00 1.37 C ATOM 1266 CE2 TYR B 32 160.797 7.899 5.409 1.00 1.17 C ATOM 1267 CZ TYR B 32 161.918 8.635 5.089 1.00 1.21 C ATOM 1268 OH TYR B 32 162.522 8.466 3.864 1.00 1.53 O ATOM 0 H TYR B 32 159.379 6.801 9.422 1.00 0.49 H new ATOM 0 HA TYR B 32 161.760 8.354 9.890 1.00 0.56 H new ATOM 0 HB2 TYR B 32 158.982 8.887 8.833 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.072 10.212 9.189 1.00 0.60 H new ATOM 0 HD1 TYR B 32 162.239 10.414 7.926 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.314 7.493 6.886 1.00 0.96 H new ATOM 0 HE1 TYR B 32 163.316 10.114 5.739 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.393 7.191 4.701 1.00 1.17 H new ATOM 0 HH TYR B 32 162.032 7.792 3.348 1.00 1.53 H new ATOM 1278 N ILE B 33 159.171 8.551 11.921 1.00 0.54 N ATOM 1279 CA ILE B 33 158.728 9.017 13.234 1.00 0.64 C ATOM 1280 C ILE B 33 159.368 8.184 14.354 1.00 0.58 C ATOM 1281 O ILE B 33 159.345 8.581 15.520 1.00 0.78 O ATOM 1282 CB ILE B 33 157.188 8.947 13.373 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.504 9.590 12.162 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.735 9.624 14.661 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.128 9.029 11.875 1.00 0.87 C ATOM 0 H ILE B 33 158.512 7.928 11.454 1.00 0.54 H new ATOM 0 HA ILE B 33 159.043 10.056 13.324 1.00 0.64 H new ATOM 0 HB ILE B 33 156.898 7.897 13.413 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.422 10.664 12.329 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.134 9.452 11.283 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.650 9.565 14.741 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.190 9.122 15.515 1.00 0.98 H new ATOM 0 HG23 ILE B 33 157.041 10.670 14.649 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.705 9.531 11.005 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.205 7.960 11.675 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.482 9.191 12.738 1.00 0.87 H new ATOM 1297 N ASP B 34 159.954 7.036 13.987 1.00 0.46 N ATOM 1298 CA ASP B 34 160.610 6.158 14.952 1.00 0.50 C ATOM 1299 C ASP B 34 161.912 6.775 15.466 1.00 0.40 C ATOM 1300 O ASP B 34 162.306 6.532 16.600 1.00 0.45 O ATOM 1301 CB ASP B 34 160.889 4.787 14.325 1.00 0.69 C ATOM 1302 CG ASP B 34 160.556 3.635 15.258 1.00 0.82 C ATOM 1303 OD1 ASP B 34 159.563 3.740 16.013 1.00 1.46 O ATOM 1304 OD2 ASP B 34 161.287 2.623 15.232 1.00 1.34 O ATOM 0 H ASP B 34 159.984 6.698 13.025 1.00 0.46 H new ATOM 0 HA ASP B 34 159.936 6.031 15.799 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.307 4.686 13.409 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.940 4.728 14.043 1.00 0.69 H new ATOM 1309 N ASN B 35 162.565 7.581 14.624 1.00 0.52 N ATOM 1310 CA ASN B 35 163.815 8.249 14.993 1.00 0.58 C ATOM 1311 C ASN B 35 163.697 8.898 16.371 1.00 0.49 C ATOM 1312 O ASN B 35 164.638 8.862 17.164 1.00 0.61 O ATOM 1313 CB ASN B 35 164.188 9.306 13.950 1.00 0.78 C ATOM 1314 CG ASN B 35 164.738 8.692 12.676 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.805 8.078 12.681 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.012 8.854 11.574 1.00 1.31 N ATOM 0 H ASN B 35 162.246 7.787 13.677 1.00 0.52 H new ATOM 0 HA ASN B 35 164.601 7.495 15.029 1.00 0.58 H new ATOM 0 HB2 ASN B 35 163.308 9.904 13.712 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.929 9.984 14.373 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.334 8.462 10.689 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.133 9.370 11.614 1.00 1.31 H new ATOM 1323 N LEU B 36 162.525 9.473 16.654 1.00 0.44 N ATOM 1324 CA LEU B 36 162.271 10.109 17.944 1.00 0.51 C ATOM 1325 C LEU B 36 162.288 9.065 19.061 1.00 0.47 C ATOM 1326 O LEU B 36 162.886 9.282 20.116 1.00 0.59 O ATOM 1327 CB LEU B 36 160.923 10.842 17.933 1.00 0.71 C ATOM 1328 CG LEU B 36 160.681 11.754 16.725 1.00 0.83 C ATOM 1329 CD1 LEU B 36 159.212 12.143 16.635 1.00 1.00 C ATOM 1330 CD2 LEU B 36 161.561 12.994 16.805 1.00 1.64 C ATOM 0 H LEU B 36 161.739 9.510 16.005 1.00 0.44 H new ATOM 0 HA LEU B 36 163.060 10.838 18.126 1.00 0.51 H new ATOM 0 HB2 LEU B 36 160.125 10.101 17.973 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.847 11.441 18.840 1.00 0.71 H new ATOM 0 HG LEU B 36 160.946 11.205 15.821 1.00 0.83 H new ATOM 0 HD11 LEU B 36 159.059 12.790 15.772 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.604 11.245 16.527 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.920 12.673 17.542 1.00 1.00 H new ATOM 0 HD21 LEU B 36 161.375 13.629 15.939 1.00 1.64 H new ATOM 0 HD22 LEU B 36 161.330 13.546 17.716 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.609 12.696 16.818 1.00 1.64 H new ATOM 1342 N LEU B 37 161.636 7.926 18.810 1.00 0.41 N ATOM 1343 CA LEU B 37 161.580 6.834 19.778 1.00 0.48 C ATOM 1344 C LEU B 37 162.195 5.555 19.196 1.00 0.41 C ATOM 1345 O LEU B 37 161.526 4.525 19.085 1.00 0.54 O ATOM 1346 CB LEU B 37 160.127 6.581 20.207 1.00 0.65 C ATOM 1347 CG LEU B 37 159.138 6.333 19.060 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.217 5.166 19.391 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.330 7.591 18.766 1.00 0.69 C ATOM 0 H LEU B 37 161.138 7.739 17.940 1.00 0.41 H new ATOM 0 HA LEU B 37 162.162 7.122 20.654 1.00 0.48 H new ATOM 0 HB2 LEU B 37 160.107 5.719 20.874 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.781 7.439 20.784 1.00 0.65 H new ATOM 0 HG LEU B 37 159.706 6.077 18.166 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.523 5.005 18.566 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.812 4.266 19.546 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.656 5.391 20.298 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.635 7.394 17.950 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.772 7.881 19.656 1.00 0.69 H new ATOM 0 HD23 LEU B 37 159.005 8.398 18.481 1.00 0.69 H new ATOM 1361 N VAL B 38 163.474 5.629 18.818 1.00 0.36 N ATOM 1362 CA VAL B 38 164.177 4.481 18.239 1.00 0.49 C ATOM 1363 C VAL B 38 163.968 3.226 19.093 1.00 0.67 C ATOM 1364 O VAL B 38 163.706 3.324 20.292 1.00 1.35 O ATOM 1365 CB VAL B 38 165.692 4.765 18.089 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.418 3.564 17.496 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.923 6.005 17.233 1.00 0.89 C ATOM 0 H VAL B 38 164.043 6.471 18.902 1.00 0.36 H new ATOM 0 HA VAL B 38 163.757 4.310 17.248 1.00 0.49 H new ATOM 0 HB VAL B 38 166.100 4.949 19.083 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.480 3.791 17.402 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.288 2.701 18.149 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.006 3.339 16.512 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.993 6.188 17.139 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.493 5.849 16.243 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.448 6.866 17.703 1.00 0.89 H new ATOM 1377 N ARG B 39 164.061 2.056 18.451 1.00 0.54 N ATOM 1378 CA ARG B 39 163.861 0.764 19.121 1.00 0.62 C ATOM 1379 C ARG B 39 164.700 0.633 20.397 1.00 0.51 C ATOM 1380 O ARG B 39 165.793 0.062 20.381 1.00 0.63 O ATOM 1381 CB ARG B 39 164.184 -0.383 18.159 1.00 0.93 C ATOM 1382 CG ARG B 39 163.046 -0.716 17.206 1.00 1.15 C ATOM 1383 CD ARG B 39 163.541 -1.467 15.980 1.00 1.41 C ATOM 1384 NE ARG B 39 163.432 -2.918 16.140 1.00 1.58 N ATOM 1385 CZ ARG B 39 164.408 -3.701 16.613 1.00 1.77 C ATOM 1386 NH1 ARG B 39 165.575 -3.182 16.988 1.00 2.06 N ATOM 1387 NH2 ARG B 39 164.214 -5.012 16.713 1.00 2.18 N ATOM 0 H ARG B 39 164.276 1.977 17.457 1.00 0.54 H new ATOM 0 HA ARG B 39 162.813 0.711 19.416 1.00 0.62 H new ATOM 0 HB2 ARG B 39 165.068 -0.121 17.578 1.00 0.93 H new ATOM 0 HB3 ARG B 39 164.434 -1.272 18.738 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.301 -1.318 17.725 1.00 1.15 H new ATOM 0 HG3 ARG B 39 162.551 0.204 16.894 1.00 1.15 H new ATOM 0 HD2 ARG B 39 162.966 -1.155 15.108 1.00 1.41 H new ATOM 0 HD3 ARG B 39 164.581 -1.201 15.788 1.00 1.41 H new ATOM 0 HE ARG B 39 162.553 -3.362 15.873 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.733 -2.177 16.916 1.00 2.06 H new ATOM 0 HH12 ARG B 39 166.311 -3.789 17.347 1.00 2.06 H new ATOM 0 HH21 ARG B 39 163.323 -5.419 16.429 1.00 2.18 H new ATOM 0 HH22 ARG B 39 164.956 -5.611 17.073 1.00 2.18 H new ATOM 1401 N VAL B 40 164.165 1.163 21.499 1.00 0.43 N ATOM 1402 CA VAL B 40 164.831 1.117 22.800 1.00 0.56 C ATOM 1403 C VAL B 40 163.794 1.168 23.928 1.00 0.71 C ATOM 1404 O VAL B 40 163.713 2.148 24.673 1.00 1.15 O ATOM 1405 CB VAL B 40 165.840 2.283 22.973 1.00 0.60 C ATOM 1406 CG1 VAL B 40 166.608 2.143 24.282 1.00 1.04 C ATOM 1407 CG2 VAL B 40 166.802 2.352 21.793 1.00 0.65 C ATOM 0 H VAL B 40 163.261 1.635 21.514 1.00 0.43 H new ATOM 0 HA VAL B 40 165.384 0.179 22.849 1.00 0.56 H new ATOM 0 HB VAL B 40 165.274 3.214 23.004 1.00 0.60 H new ATOM 0 HG11 VAL B 40 167.310 2.971 24.383 1.00 1.04 H new ATOM 0 HG12 VAL B 40 165.908 2.157 25.118 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.156 1.201 24.283 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.498 3.178 21.939 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.358 1.417 21.721 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.239 2.511 20.873 1.00 0.65 H new ATOM 1417 N MET B 41 162.993 0.106 24.037 1.00 0.60 N ATOM 1418 CA MET B 41 161.952 0.030 25.063 1.00 0.74 C ATOM 1419 C MET B 41 162.245 -1.090 26.062 1.00 0.91 C ATOM 1420 O MET B 41 162.428 -2.247 25.624 1.00 0.91 O ATOM 1421 CB MET B 41 160.575 -0.185 24.421 1.00 0.73 C ATOM 1422 CG MET B 41 160.341 0.645 23.167 1.00 0.74 C ATOM 1423 SD MET B 41 160.527 -0.319 21.654 1.00 0.86 S ATOM 1424 CE MET B 41 159.660 0.715 20.476 1.00 0.70 C ATOM 1425 OXT MET B 41 162.288 -0.799 27.275 1.00 1.13 O ATOM 0 H MET B 41 163.045 -0.711 23.429 1.00 0.60 H new ATOM 0 HA MET B 41 161.946 0.978 25.601 1.00 0.74 H new ATOM 0 HB2 MET B 41 160.462 -1.240 24.172 1.00 0.73 H new ATOM 0 HB3 MET B 41 159.803 0.055 25.152 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.339 1.073 23.200 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.043 1.479 23.151 1.00 0.74 H new ATOM 0 HE1 MET B 41 159.690 0.249 19.491 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.623 0.834 20.790 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.139 1.693 20.429 1.00 0.70 H new