USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 732 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0242 K(o=-0.024,f=-2.3!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 167:sc=-0.00493 (180deg=-0.0879) USER MOD Single : A 24 THR OG1 : rot 76:sc= 0.0861 USER MOD Single : A 25 HIS : no HD1:sc= -0.173 X(o=-0.17,f=-0.62) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.22 X(o=0.22,f=-0.0016) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 2 SER OG : rot 180:sc= 0 USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 5 TYR OH : rot 180:sc= 0 USER MOD Single : B 10 GLN : amide:sc= -0.022 K(o=-0.022,f=-2.2) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 HIS : no HE2:sc= -3.14 K(o=-3.1,f=-5.8!) USER MOD Single : B 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 LYS NZ :NH3+ 165:sc=-0.000283 (180deg=-0.0795) USER MOD Single : B 24 THR OG1 : rot 75:sc= 0.0859 USER MOD Single : B 25 HIS : no HD1:sc= -0.176 X(o=-0.18,f=-0.59) USER MOD Single : B 32 TYR OH : rot 180:sc= 0 USER MOD Single : B 35 ASN : amide:sc= 0.21 X(o=0.21,f=0) USER MOD Single : B 41 MET CE :methyl 153:sc= -0.451 (180deg=-1.91!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 132.426 -18.176 -19.204 1.00 0.77 N ATOM 2 CA GLY A 1 131.050 -18.129 -18.633 1.00 0.81 C ATOM 3 C GLY A 1 130.777 -16.848 -17.866 1.00 0.65 C ATOM 4 O GLY A 1 130.447 -15.822 -18.463 1.00 0.70 O ATOM 0 H1 GLY A 1 132.559 -19.071 -19.717 1.00 0.77 H new ATOM 0 H2 GLY A 1 132.557 -17.379 -19.859 1.00 0.77 H new ATOM 0 H3 GLY A 1 133.123 -18.111 -18.435 1.00 0.77 H new ATOM 0 HA2 GLY A 1 130.323 -18.227 -19.439 1.00 0.81 H new ATOM 0 HA3 GLY A 1 130.907 -18.982 -17.970 1.00 0.81 H new ATOM 10 N SER A 2 130.917 -16.908 -16.542 1.00 0.55 N ATOM 11 CA SER A 2 130.684 -15.742 -15.690 1.00 0.48 C ATOM 12 C SER A 2 131.983 -15.000 -15.398 1.00 0.47 C ATOM 13 O SER A 2 131.971 -13.777 -15.285 1.00 0.71 O ATOM 14 CB SER A 2 130.005 -16.156 -14.382 1.00 0.54 C ATOM 15 OG SER A 2 128.596 -16.038 -14.476 1.00 0.67 O ATOM 0 H SER A 2 131.190 -17.751 -16.036 1.00 0.55 H new ATOM 0 HA SER A 2 130.022 -15.065 -16.230 1.00 0.48 H new ATOM 0 HB2 SER A 2 130.271 -17.185 -14.141 1.00 0.54 H new ATOM 0 HB3 SER A 2 130.371 -15.533 -13.566 1.00 0.54 H new ATOM 0 HG SER A 2 128.188 -16.310 -13.628 1.00 0.67 H new ATOM 21 N LEU A 3 133.099 -15.735 -15.295 1.00 0.38 N ATOM 22 CA LEU A 3 134.404 -15.117 -15.041 1.00 0.43 C ATOM 23 C LEU A 3 134.830 -14.313 -16.269 1.00 0.53 C ATOM 24 O LEU A 3 135.727 -14.709 -17.018 1.00 0.88 O ATOM 25 CB LEU A 3 135.463 -16.177 -14.693 1.00 0.48 C ATOM 26 CG LEU A 3 135.429 -17.453 -15.544 1.00 0.85 C ATOM 27 CD1 LEU A 3 136.823 -17.801 -16.046 1.00 1.05 C ATOM 28 CD2 LEU A 3 134.842 -18.610 -14.747 1.00 1.42 C ATOM 0 H LEU A 3 133.123 -16.751 -15.383 1.00 0.38 H new ATOM 0 HA LEU A 3 134.316 -14.449 -14.184 1.00 0.43 H new ATOM 0 HB2 LEU A 3 136.450 -15.724 -14.789 1.00 0.48 H new ATOM 0 HB3 LEU A 3 135.341 -16.456 -13.647 1.00 0.48 H new ATOM 0 HG LEU A 3 134.791 -17.272 -16.409 1.00 0.85 H new ATOM 0 HD11 LEU A 3 136.777 -18.709 -16.647 1.00 1.05 H new ATOM 0 HD12 LEU A 3 137.206 -16.982 -16.655 1.00 1.05 H new ATOM 0 HD13 LEU A 3 137.486 -17.962 -15.196 1.00 1.05 H new ATOM 0 HD21 LEU A 3 134.825 -19.507 -15.366 1.00 1.42 H new ATOM 0 HD22 LEU A 3 135.454 -18.790 -13.863 1.00 1.42 H new ATOM 0 HD23 LEU A 3 133.826 -18.362 -14.440 1.00 1.42 H new ATOM 40 N THR A 4 134.137 -13.197 -16.481 1.00 0.41 N ATOM 41 CA THR A 4 134.369 -12.328 -17.624 1.00 0.49 C ATOM 42 C THR A 4 133.941 -10.889 -17.294 1.00 0.39 C ATOM 43 O THR A 4 133.882 -10.512 -16.125 1.00 0.39 O ATOM 44 CB THR A 4 133.605 -12.873 -18.848 1.00 0.65 C ATOM 45 OG1 THR A 4 132.385 -13.480 -18.456 1.00 0.64 O ATOM 46 CG2 THR A 4 134.393 -13.901 -19.634 1.00 0.80 C ATOM 0 H THR A 4 133.396 -12.872 -15.860 1.00 0.41 H new ATOM 0 HA THR A 4 135.433 -12.311 -17.860 1.00 0.49 H new ATOM 0 HB THR A 4 133.426 -12.005 -19.483 1.00 0.65 H new ATOM 0 HG1 THR A 4 131.918 -13.817 -19.249 1.00 0.64 H new ATOM 0 HG21 THR A 4 133.800 -14.244 -20.481 1.00 0.80 H new ATOM 0 HG22 THR A 4 135.317 -13.451 -19.997 1.00 0.80 H new ATOM 0 HG23 THR A 4 134.630 -14.748 -18.990 1.00 0.80 H new ATOM 54 N TYR A 5 133.672 -10.093 -18.331 1.00 0.48 N ATOM 55 CA TYR A 5 133.266 -8.691 -18.168 1.00 0.46 C ATOM 56 C TYR A 5 132.292 -8.508 -16.995 1.00 0.42 C ATOM 57 O TYR A 5 132.562 -7.737 -16.074 1.00 0.47 O ATOM 58 CB TYR A 5 132.630 -8.169 -19.459 1.00 0.59 C ATOM 59 CG TYR A 5 132.245 -6.703 -19.403 1.00 0.52 C ATOM 60 CD1 TYR A 5 133.087 -5.762 -18.821 1.00 0.71 C ATOM 61 CD2 TYR A 5 131.039 -6.263 -19.932 1.00 0.81 C ATOM 62 CE1 TYR A 5 132.738 -4.426 -18.768 1.00 0.69 C ATOM 63 CE2 TYR A 5 130.683 -4.928 -19.884 1.00 0.90 C ATOM 64 CZ TYR A 5 131.535 -4.014 -19.301 1.00 0.65 C ATOM 65 OH TYR A 5 131.183 -2.684 -19.251 1.00 0.79 O ATOM 0 H TYR A 5 133.728 -10.397 -19.303 1.00 0.48 H new ATOM 0 HA TYR A 5 134.165 -8.116 -17.947 1.00 0.46 H new ATOM 0 HB2 TYR A 5 133.327 -8.321 -20.283 1.00 0.59 H new ATOM 0 HB3 TYR A 5 131.741 -8.760 -19.680 1.00 0.59 H new ATOM 0 HD1 TYR A 5 134.030 -6.081 -18.403 1.00 0.71 H new ATOM 0 HD2 TYR A 5 130.368 -6.975 -20.389 1.00 0.81 H new ATOM 0 HE1 TYR A 5 133.404 -3.709 -18.312 1.00 0.69 H new ATOM 0 HE2 TYR A 5 129.742 -4.602 -20.301 1.00 0.90 H new ATOM 0 HH TYR A 5 130.306 -2.562 -19.671 1.00 0.79 H new ATOM 75 N GLU A 6 131.157 -9.212 -17.042 1.00 0.48 N ATOM 76 CA GLU A 6 130.140 -9.122 -15.987 1.00 0.50 C ATOM 77 C GLU A 6 130.730 -9.375 -14.592 1.00 0.38 C ATOM 78 O GLU A 6 130.218 -8.862 -13.596 1.00 0.47 O ATOM 79 CB GLU A 6 129.009 -10.117 -16.259 1.00 0.60 C ATOM 80 CG GLU A 6 127.624 -9.562 -15.964 1.00 0.65 C ATOM 81 CD GLU A 6 126.524 -10.577 -16.212 1.00 0.82 C ATOM 82 OE1 GLU A 6 126.010 -10.630 -17.349 1.00 1.16 O ATOM 83 OE2 GLU A 6 126.176 -11.317 -15.268 1.00 0.99 O ATOM 0 H GLU A 6 130.918 -9.852 -17.800 1.00 0.48 H new ATOM 0 HA GLU A 6 129.748 -8.105 -16.001 1.00 0.50 H new ATOM 0 HB2 GLU A 6 129.052 -10.426 -17.303 1.00 0.60 H new ATOM 0 HB3 GLU A 6 129.169 -11.010 -15.655 1.00 0.60 H new ATOM 0 HG2 GLU A 6 127.582 -9.233 -14.926 1.00 0.65 H new ATOM 0 HG3 GLU A 6 127.449 -8.683 -16.585 1.00 0.65 H new ATOM 90 N GLU A 7 131.806 -10.162 -14.529 1.00 0.30 N ATOM 91 CA GLU A 7 132.461 -10.473 -13.257 1.00 0.29 C ATOM 92 C GLU A 7 133.313 -9.301 -12.776 1.00 0.28 C ATOM 93 O GLU A 7 133.168 -8.849 -11.639 1.00 0.46 O ATOM 94 CB GLU A 7 133.333 -11.724 -13.388 1.00 0.40 C ATOM 95 CG GLU A 7 133.693 -12.362 -12.055 1.00 0.56 C ATOM 96 CD GLU A 7 135.061 -11.938 -11.554 1.00 0.72 C ATOM 97 OE1 GLU A 7 136.063 -12.560 -11.966 1.00 1.01 O ATOM 98 OE2 GLU A 7 135.131 -10.983 -10.751 1.00 0.81 O ATOM 0 H GLU A 7 132.242 -10.595 -15.343 1.00 0.30 H new ATOM 0 HA GLU A 7 131.678 -10.660 -12.522 1.00 0.29 H new ATOM 0 HB2 GLU A 7 132.810 -12.457 -14.002 1.00 0.40 H new ATOM 0 HB3 GLU A 7 134.251 -11.463 -13.915 1.00 0.40 H new ATOM 0 HG2 GLU A 7 132.940 -12.095 -11.314 1.00 0.56 H new ATOM 0 HG3 GLU A 7 133.668 -13.447 -12.157 1.00 0.56 H new ATOM 105 N VAL A 8 134.206 -8.816 -13.646 1.00 0.34 N ATOM 106 CA VAL A 8 135.084 -7.698 -13.302 1.00 0.36 C ATOM 107 C VAL A 8 134.280 -6.465 -12.874 1.00 0.28 C ATOM 108 O VAL A 8 134.729 -5.703 -12.015 1.00 0.39 O ATOM 109 CB VAL A 8 136.040 -7.334 -14.465 1.00 0.54 C ATOM 110 CG1 VAL A 8 135.271 -6.854 -15.686 1.00 0.46 C ATOM 111 CG2 VAL A 8 137.058 -6.290 -14.021 1.00 0.77 C ATOM 0 H VAL A 8 134.338 -9.180 -14.590 1.00 0.34 H new ATOM 0 HA VAL A 8 135.690 -8.026 -12.458 1.00 0.36 H new ATOM 0 HB VAL A 8 136.578 -8.239 -14.748 1.00 0.54 H new ATOM 0 HG11 VAL A 8 135.972 -6.607 -16.483 1.00 0.46 H new ATOM 0 HG12 VAL A 8 134.598 -7.642 -16.025 1.00 0.46 H new ATOM 0 HG13 VAL A 8 134.691 -5.969 -15.426 1.00 0.46 H new ATOM 0 HG21 VAL A 8 137.719 -6.049 -14.854 1.00 0.77 H new ATOM 0 HG22 VAL A 8 136.537 -5.388 -13.699 1.00 0.77 H new ATOM 0 HG23 VAL A 8 137.646 -6.685 -13.193 1.00 0.77 H new ATOM 121 N LEU A 9 133.084 -6.280 -13.453 1.00 0.36 N ATOM 122 CA LEU A 9 132.229 -5.148 -13.096 1.00 0.49 C ATOM 123 C LEU A 9 131.853 -5.224 -11.618 1.00 0.53 C ATOM 124 O LEU A 9 132.170 -4.320 -10.846 1.00 0.73 O ATOM 125 CB LEU A 9 130.963 -5.137 -13.960 1.00 0.66 C ATOM 126 CG LEU A 9 131.094 -4.410 -15.301 1.00 0.65 C ATOM 127 CD1 LEU A 9 130.129 -4.997 -16.321 1.00 0.86 C ATOM 128 CD2 LEU A 9 130.848 -2.917 -15.125 1.00 0.72 C ATOM 0 H LEU A 9 132.693 -6.897 -14.165 1.00 0.36 H new ATOM 0 HA LEU A 9 132.780 -4.225 -13.277 1.00 0.49 H new ATOM 0 HB2 LEU A 9 130.664 -6.168 -14.152 1.00 0.66 H new ATOM 0 HB3 LEU A 9 130.158 -4.673 -13.390 1.00 0.66 H new ATOM 0 HG LEU A 9 132.110 -4.548 -15.671 1.00 0.65 H new ATOM 0 HD11 LEU A 9 130.235 -4.469 -17.268 1.00 0.86 H new ATOM 0 HD12 LEU A 9 130.353 -6.054 -16.468 1.00 0.86 H new ATOM 0 HD13 LEU A 9 129.107 -4.890 -15.958 1.00 0.86 H new ATOM 0 HD21 LEU A 9 130.945 -2.416 -16.088 1.00 0.72 H new ATOM 0 HD22 LEU A 9 129.844 -2.757 -14.733 1.00 0.72 H new ATOM 0 HD23 LEU A 9 131.579 -2.508 -14.428 1.00 0.72 H new ATOM 140 N GLN A 10 131.180 -6.315 -11.235 1.00 0.42 N ATOM 141 CA GLN A 10 130.768 -6.524 -9.845 1.00 0.49 C ATOM 142 C GLN A 10 131.957 -6.348 -8.901 1.00 0.43 C ATOM 143 O GLN A 10 131.825 -5.770 -7.822 1.00 0.50 O ATOM 144 CB GLN A 10 130.165 -7.923 -9.671 1.00 0.60 C ATOM 145 CG GLN A 10 128.673 -7.912 -9.378 1.00 0.69 C ATOM 146 CD GLN A 10 128.368 -7.942 -7.891 1.00 0.82 C ATOM 147 OE1 GLN A 10 128.428 -6.916 -7.214 1.00 1.31 O ATOM 148 NE2 GLN A 10 128.041 -9.122 -7.373 1.00 0.84 N ATOM 0 H GLN A 10 130.910 -7.066 -11.870 1.00 0.42 H new ATOM 0 HA GLN A 10 130.011 -5.780 -9.597 1.00 0.49 H new ATOM 0 HB2 GLN A 10 130.344 -8.502 -10.577 1.00 0.60 H new ATOM 0 HB3 GLN A 10 130.682 -8.434 -8.859 1.00 0.60 H new ATOM 0 HG2 GLN A 10 128.227 -7.020 -9.818 1.00 0.69 H new ATOM 0 HG3 GLN A 10 128.206 -8.772 -9.858 1.00 0.69 H new ATOM 0 HE21 GLN A 10 128.003 -9.948 -7.970 1.00 0.84 H new ATOM 0 HE22 GLN A 10 127.828 -9.201 -6.379 1.00 0.84 H new ATOM 157 N GLU A 11 133.121 -6.847 -9.322 1.00 0.41 N ATOM 158 CA GLU A 11 134.345 -6.746 -8.530 1.00 0.44 C ATOM 159 C GLU A 11 134.699 -5.288 -8.218 1.00 0.40 C ATOM 160 O GLU A 11 135.359 -5.012 -7.216 1.00 0.56 O ATOM 161 CB GLU A 11 135.509 -7.409 -9.274 1.00 0.52 C ATOM 162 CG GLU A 11 136.187 -8.521 -8.490 1.00 0.63 C ATOM 163 CD GLU A 11 137.607 -8.776 -8.956 1.00 1.02 C ATOM 164 OE1 GLU A 11 138.522 -8.066 -8.489 1.00 1.54 O ATOM 165 OE2 GLU A 11 137.803 -9.685 -9.791 1.00 1.64 O ATOM 0 H GLU A 11 133.240 -7.328 -10.214 1.00 0.41 H new ATOM 0 HA GLU A 11 134.170 -7.261 -7.586 1.00 0.44 H new ATOM 0 HB2 GLU A 11 135.141 -7.814 -10.217 1.00 0.52 H new ATOM 0 HB3 GLU A 11 136.250 -6.648 -9.521 1.00 0.52 H new ATOM 0 HG2 GLU A 11 136.196 -8.262 -7.431 1.00 0.63 H new ATOM 0 HG3 GLU A 11 135.605 -9.438 -8.588 1.00 0.63 H new ATOM 172 N LEU A 12 134.250 -4.355 -9.069 1.00 0.34 N ATOM 173 CA LEU A 12 134.517 -2.930 -8.873 1.00 0.34 C ATOM 174 C LEU A 12 133.643 -2.352 -7.757 1.00 0.31 C ATOM 175 O LEU A 12 134.113 -1.553 -6.946 1.00 0.39 O ATOM 176 CB LEU A 12 134.267 -2.166 -10.182 1.00 0.36 C ATOM 177 CG LEU A 12 135.235 -1.016 -10.474 1.00 0.44 C ATOM 178 CD1 LEU A 12 135.065 0.098 -9.453 1.00 0.65 C ATOM 179 CD2 LEU A 12 136.672 -1.517 -10.496 1.00 0.59 C ATOM 0 H LEU A 12 133.699 -4.566 -9.901 1.00 0.34 H new ATOM 0 HA LEU A 12 135.561 -2.817 -8.580 1.00 0.34 H new ATOM 0 HB2 LEU A 12 134.313 -2.874 -11.009 1.00 0.36 H new ATOM 0 HB3 LEU A 12 133.253 -1.767 -10.160 1.00 0.36 H new ATOM 0 HG LEU A 12 135.002 -0.612 -11.459 1.00 0.44 H new ATOM 0 HD11 LEU A 12 135.761 0.906 -9.677 1.00 0.65 H new ATOM 0 HD12 LEU A 12 134.044 0.477 -9.495 1.00 0.65 H new ATOM 0 HD13 LEU A 12 135.268 -0.289 -8.455 1.00 0.65 H new ATOM 0 HD21 LEU A 12 137.344 -0.685 -10.705 1.00 0.59 H new ATOM 0 HD22 LEU A 12 136.921 -1.950 -9.527 1.00 0.59 H new ATOM 0 HD23 LEU A 12 136.781 -2.275 -11.271 1.00 0.59 H new ATOM 191 N VAL A 13 132.373 -2.777 -7.711 1.00 0.26 N ATOM 192 CA VAL A 13 131.444 -2.312 -6.678 1.00 0.26 C ATOM 193 C VAL A 13 131.825 -2.860 -5.295 1.00 0.22 C ATOM 194 O VAL A 13 131.287 -2.424 -4.276 1.00 0.24 O ATOM 195 CB VAL A 13 129.979 -2.692 -7.012 1.00 0.32 C ATOM 196 CG1 VAL A 13 129.717 -4.172 -6.765 1.00 0.61 C ATOM 197 CG2 VAL A 13 129.008 -1.831 -6.214 1.00 0.53 C ATOM 0 H VAL A 13 131.969 -3.438 -8.374 1.00 0.26 H new ATOM 0 HA VAL A 13 131.519 -1.225 -6.654 1.00 0.26 H new ATOM 0 HB VAL A 13 129.819 -2.502 -8.073 1.00 0.32 H new ATOM 0 HG11 VAL A 13 128.680 -4.404 -7.009 1.00 0.61 H new ATOM 0 HG12 VAL A 13 130.380 -4.768 -7.392 1.00 0.61 H new ATOM 0 HG13 VAL A 13 129.903 -4.404 -5.716 1.00 0.61 H new ATOM 0 HG21 VAL A 13 127.984 -2.112 -6.462 1.00 0.53 H new ATOM 0 HG22 VAL A 13 129.178 -1.983 -5.148 1.00 0.53 H new ATOM 0 HG23 VAL A 13 129.166 -0.781 -6.460 1.00 0.53 H new ATOM 207 N LYS A 14 132.778 -3.798 -5.270 1.00 0.24 N ATOM 208 CA LYS A 14 133.258 -4.383 -4.025 1.00 0.23 C ATOM 209 C LYS A 14 134.422 -3.557 -3.483 1.00 0.21 C ATOM 210 O LYS A 14 134.406 -3.136 -2.326 1.00 0.28 O ATOM 211 CB LYS A 14 133.695 -5.835 -4.244 1.00 0.30 C ATOM 212 CG LYS A 14 132.568 -6.842 -4.075 1.00 0.84 C ATOM 213 CD LYS A 14 133.066 -8.271 -4.233 1.00 0.68 C ATOM 214 CE LYS A 14 133.217 -8.964 -2.887 1.00 0.73 C ATOM 215 NZ LYS A 14 132.597 -10.319 -2.884 1.00 0.75 N ATOM 0 H LYS A 14 133.231 -4.166 -6.106 1.00 0.24 H new ATOM 0 HA LYS A 14 132.446 -4.377 -3.298 1.00 0.23 H new ATOM 0 HB2 LYS A 14 134.111 -5.933 -5.247 1.00 0.30 H new ATOM 0 HB3 LYS A 14 134.494 -6.075 -3.542 1.00 0.30 H new ATOM 0 HG2 LYS A 14 132.115 -6.721 -3.091 1.00 0.84 H new ATOM 0 HG3 LYS A 14 131.789 -6.644 -4.811 1.00 0.84 H new ATOM 0 HD2 LYS A 14 132.370 -8.833 -4.856 1.00 0.68 H new ATOM 0 HD3 LYS A 14 134.025 -8.267 -4.751 1.00 0.68 H new ATOM 0 HE2 LYS A 14 134.275 -9.049 -2.640 1.00 0.73 H new ATOM 0 HE3 LYS A 14 132.756 -8.353 -2.111 1.00 0.73 H new ATOM 0 HZ1 LYS A 14 132.722 -10.756 -1.949 1.00 0.75 H new ATOM 0 HZ2 LYS A 14 131.582 -10.237 -3.095 1.00 0.75 H new ATOM 0 HZ3 LYS A 14 133.054 -10.911 -3.607 1.00 0.75 H new ATOM 229 N HIS A 15 135.435 -3.347 -4.333 1.00 0.25 N ATOM 230 CA HIS A 15 136.630 -2.584 -3.964 1.00 0.27 C ATOM 231 C HIS A 15 136.294 -1.326 -3.168 1.00 0.23 C ATOM 232 O HIS A 15 136.806 -1.142 -2.063 1.00 0.43 O ATOM 233 CB HIS A 15 137.430 -2.205 -5.211 1.00 0.33 C ATOM 234 CG HIS A 15 138.264 -3.327 -5.737 1.00 0.46 C ATOM 235 ND1 HIS A 15 139.407 -3.776 -5.112 1.00 0.85 N ATOM 236 CD2 HIS A 15 138.102 -4.105 -6.827 1.00 0.72 C ATOM 237 CE1 HIS A 15 139.911 -4.785 -5.797 1.00 0.88 C ATOM 238 NE2 HIS A 15 139.137 -5.008 -6.843 1.00 0.72 N ATOM 0 H HIS A 15 135.448 -3.700 -5.290 1.00 0.25 H new ATOM 0 HA HIS A 15 137.231 -3.230 -3.324 1.00 0.27 H new ATOM 0 HB2 HIS A 15 136.742 -1.875 -5.990 1.00 0.33 H new ATOM 0 HB3 HIS A 15 138.076 -1.359 -4.977 1.00 0.33 H new ATOM 0 HD1 HIS A 15 139.802 -3.389 -4.255 1.00 0.85 H new ATOM 0 HD2 HIS A 15 137.306 -4.032 -7.553 1.00 0.72 H new ATOM 0 HE1 HIS A 15 140.805 -5.335 -5.545 1.00 0.88 H new ATOM 247 N LYS A 16 135.444 -0.452 -3.721 1.00 0.21 N ATOM 248 CA LYS A 16 135.069 0.787 -3.034 1.00 0.25 C ATOM 249 C LYS A 16 134.269 0.500 -1.766 1.00 0.32 C ATOM 250 O LYS A 16 134.481 1.145 -0.741 1.00 0.62 O ATOM 251 CB LYS A 16 134.249 1.692 -3.962 1.00 0.37 C ATOM 252 CG LYS A 16 134.898 1.942 -5.317 1.00 0.50 C ATOM 253 CD LYS A 16 133.944 1.623 -6.460 1.00 0.57 C ATOM 254 CE LYS A 16 133.768 2.811 -7.394 1.00 0.59 C ATOM 255 NZ LYS A 16 132.411 3.416 -7.278 1.00 0.66 N ATOM 0 H LYS A 16 135.007 -0.579 -4.634 1.00 0.21 H new ATOM 0 HA LYS A 16 135.991 1.296 -2.755 1.00 0.25 H new ATOM 0 HB2 LYS A 16 133.269 1.242 -4.118 1.00 0.37 H new ATOM 0 HB3 LYS A 16 134.085 2.649 -3.467 1.00 0.37 H new ATOM 0 HG2 LYS A 16 135.213 2.983 -5.384 1.00 0.50 H new ATOM 0 HG3 LYS A 16 135.796 1.331 -5.410 1.00 0.50 H new ATOM 0 HD2 LYS A 16 134.323 0.770 -7.023 1.00 0.57 H new ATOM 0 HD3 LYS A 16 132.975 1.332 -6.055 1.00 0.57 H new ATOM 0 HE2 LYS A 16 134.522 3.565 -7.167 1.00 0.59 H new ATOM 0 HE3 LYS A 16 133.936 2.492 -8.423 1.00 0.59 H new ATOM 0 HZ1 LYS A 16 132.333 4.222 -7.931 1.00 0.66 H new ATOM 0 HZ2 LYS A 16 131.692 2.704 -7.519 1.00 0.66 H new ATOM 0 HZ3 LYS A 16 132.260 3.745 -6.303 1.00 0.66 H new ATOM 269 N GLU A 17 133.351 -0.468 -1.841 1.00 0.32 N ATOM 270 CA GLU A 17 132.522 -0.839 -0.691 1.00 0.39 C ATOM 271 C GLU A 17 133.391 -1.150 0.529 1.00 0.32 C ATOM 272 O GLU A 17 133.079 -0.731 1.645 1.00 0.40 O ATOM 273 CB GLU A 17 131.647 -2.048 -1.032 1.00 0.51 C ATOM 274 CG GLU A 17 130.430 -2.194 -0.133 1.00 0.80 C ATOM 275 CD GLU A 17 129.564 -3.379 -0.515 1.00 1.08 C ATOM 276 OE1 GLU A 17 128.722 -3.231 -1.426 1.00 1.43 O ATOM 277 OE2 GLU A 17 129.728 -4.457 0.096 1.00 1.47 O ATOM 0 H GLU A 17 133.163 -1.008 -2.685 1.00 0.32 H new ATOM 0 HA GLU A 17 131.879 0.008 -0.451 1.00 0.39 H new ATOM 0 HB2 GLU A 17 131.315 -1.965 -2.067 1.00 0.51 H new ATOM 0 HB3 GLU A 17 132.250 -2.953 -0.962 1.00 0.51 H new ATOM 0 HG2 GLU A 17 130.757 -2.306 0.901 1.00 0.80 H new ATOM 0 HG3 GLU A 17 129.835 -1.282 -0.182 1.00 0.80 H new ATOM 284 N LEU A 18 134.486 -1.879 0.302 1.00 0.32 N ATOM 285 CA LEU A 18 135.412 -2.239 1.375 1.00 0.34 C ATOM 286 C LEU A 18 136.194 -1.018 1.864 1.00 0.33 C ATOM 287 O LEU A 18 136.608 -0.968 3.021 1.00 0.66 O ATOM 288 CB LEU A 18 136.382 -3.324 0.898 1.00 0.53 C ATOM 289 CG LEU A 18 135.852 -4.757 1.002 1.00 0.67 C ATOM 290 CD1 LEU A 18 136.441 -5.628 -0.098 1.00 0.86 C ATOM 291 CD2 LEU A 18 136.161 -5.341 2.374 1.00 0.79 C ATOM 0 H LEU A 18 134.752 -2.232 -0.617 1.00 0.32 H new ATOM 0 HA LEU A 18 134.825 -2.625 2.208 1.00 0.34 H new ATOM 0 HB2 LEU A 18 136.645 -3.124 -0.141 1.00 0.53 H new ATOM 0 HB3 LEU A 18 137.301 -3.249 1.479 1.00 0.53 H new ATOM 0 HG LEU A 18 134.770 -4.734 0.875 1.00 0.67 H new ATOM 0 HD11 LEU A 18 136.052 -6.642 -0.007 1.00 0.86 H new ATOM 0 HD12 LEU A 18 136.167 -5.220 -1.071 1.00 0.86 H new ATOM 0 HD13 LEU A 18 137.527 -5.646 -0.005 1.00 0.86 H new ATOM 0 HD21 LEU A 18 135.777 -6.360 2.431 1.00 0.79 H new ATOM 0 HD22 LEU A 18 137.240 -5.350 2.531 1.00 0.79 H new ATOM 0 HD23 LEU A 18 135.687 -4.732 3.144 1.00 0.79 H new ATOM 303 N LEU A 19 136.384 -0.033 0.980 1.00 0.43 N ATOM 304 CA LEU A 19 137.107 1.192 1.324 1.00 0.44 C ATOM 305 C LEU A 19 136.194 2.183 2.053 1.00 0.30 C ATOM 306 O LEU A 19 136.646 2.922 2.930 1.00 0.45 O ATOM 307 CB LEU A 19 137.680 1.841 0.060 1.00 0.57 C ATOM 308 CG LEU A 19 139.115 1.432 -0.285 1.00 0.76 C ATOM 309 CD1 LEU A 19 139.304 1.357 -1.794 1.00 0.88 C ATOM 310 CD2 LEU A 19 140.110 2.405 0.335 1.00 0.94 C ATOM 0 H LEU A 19 136.045 -0.062 0.018 1.00 0.43 H new ATOM 0 HA LEU A 19 137.926 0.925 1.992 1.00 0.44 H new ATOM 0 HB2 LEU A 19 137.035 1.592 -0.782 1.00 0.57 H new ATOM 0 HB3 LEU A 19 137.646 2.924 0.178 1.00 0.57 H new ATOM 0 HG LEU A 19 139.300 0.441 0.130 1.00 0.76 H new ATOM 0 HD11 LEU A 19 140.330 1.065 -2.018 1.00 0.88 H new ATOM 0 HD12 LEU A 19 138.618 0.620 -2.210 1.00 0.88 H new ATOM 0 HD13 LEU A 19 139.100 2.333 -2.235 1.00 0.88 H new ATOM 0 HD21 LEU A 19 141.125 2.100 0.080 1.00 0.94 H new ATOM 0 HD22 LEU A 19 139.926 3.408 -0.049 1.00 0.94 H new ATOM 0 HD23 LEU A 19 139.992 2.404 1.419 1.00 0.94 H new ATOM 322 N ARG A 20 134.907 2.178 1.695 1.00 0.32 N ATOM 323 CA ARG A 20 133.928 3.063 2.325 1.00 0.50 C ATOM 324 C ARG A 20 133.663 2.606 3.756 1.00 0.40 C ATOM 325 O ARG A 20 133.898 3.354 4.706 1.00 0.47 O ATOM 326 CB ARG A 20 132.622 3.087 1.523 1.00 0.78 C ATOM 327 CG ARG A 20 132.519 4.262 0.562 1.00 0.89 C ATOM 328 CD ARG A 20 131.114 4.399 -0.008 1.00 0.98 C ATOM 329 NE ARG A 20 130.468 5.645 0.412 1.00 1.06 N ATOM 330 CZ ARG A 20 130.682 6.833 -0.163 1.00 1.17 C ATOM 331 NH1 ARG A 20 131.531 6.952 -1.181 1.00 1.74 N ATOM 332 NH2 ARG A 20 130.043 7.909 0.286 1.00 1.60 N ATOM 0 H ARG A 20 134.521 1.571 0.972 1.00 0.32 H new ATOM 0 HA ARG A 20 134.333 4.075 2.343 1.00 0.50 H new ATOM 0 HB2 ARG A 20 132.535 2.158 0.959 1.00 0.78 H new ATOM 0 HB3 ARG A 20 131.781 3.120 2.215 1.00 0.78 H new ATOM 0 HG2 ARG A 20 132.793 5.181 1.080 1.00 0.89 H new ATOM 0 HG3 ARG A 20 133.231 4.130 -0.252 1.00 0.89 H new ATOM 0 HD2 ARG A 20 131.160 4.364 -1.096 1.00 0.98 H new ATOM 0 HD3 ARG A 20 130.509 3.551 0.313 1.00 0.98 H new ATOM 0 HE ARG A 20 129.813 5.604 1.193 1.00 1.06 H new ATOM 0 HH11 ARG A 20 132.026 6.132 -1.530 1.00 1.74 H new ATOM 0 HH12 ARG A 20 131.686 7.863 -1.612 1.00 1.74 H new ATOM 0 HH21 ARG A 20 129.392 7.827 1.067 1.00 1.60 H new ATOM 0 HH22 ARG A 20 130.204 8.817 -0.150 1.00 1.60 H new ATOM 346 N ARG A 21 133.176 1.370 3.896 1.00 0.36 N ATOM 347 CA ARG A 21 132.883 0.796 5.209 1.00 0.37 C ATOM 348 C ARG A 21 134.078 0.955 6.151 1.00 0.35 C ATOM 349 O ARG A 21 133.912 1.345 7.306 1.00 0.49 O ATOM 350 CB ARG A 21 132.511 -0.683 5.079 1.00 0.47 C ATOM 351 CG ARG A 21 131.571 -1.170 6.170 1.00 0.71 C ATOM 352 CD ARG A 21 131.453 -2.686 6.170 1.00 0.94 C ATOM 353 NE ARG A 21 131.527 -3.245 7.521 1.00 0.95 N ATOM 354 CZ ARG A 21 131.228 -4.511 7.825 1.00 1.19 C ATOM 355 NH1 ARG A 21 130.832 -5.358 6.877 1.00 2.03 N ATOM 356 NH2 ARG A 21 131.327 -4.932 9.082 1.00 1.50 N ATOM 0 H ARG A 21 132.976 0.747 3.113 1.00 0.36 H new ATOM 0 HA ARG A 21 132.035 1.336 5.630 1.00 0.37 H new ATOM 0 HB2 ARG A 21 132.044 -0.848 4.108 1.00 0.47 H new ATOM 0 HB3 ARG A 21 133.422 -1.282 5.101 1.00 0.47 H new ATOM 0 HG2 ARG A 21 131.933 -0.832 7.141 1.00 0.71 H new ATOM 0 HG3 ARG A 21 130.585 -0.728 6.026 1.00 0.71 H new ATOM 0 HD2 ARG A 21 130.508 -2.975 5.710 1.00 0.94 H new ATOM 0 HD3 ARG A 21 132.249 -3.111 5.558 1.00 0.94 H new ATOM 0 HE ARG A 21 131.826 -2.629 8.277 1.00 0.95 H new ATOM 0 HH11 ARG A 21 130.755 -5.042 5.910 1.00 2.03 H new ATOM 0 HH12 ARG A 21 130.606 -6.323 7.117 1.00 2.03 H new ATOM 0 HH21 ARG A 21 131.631 -4.289 9.813 1.00 1.50 H new ATOM 0 HH22 ARG A 21 131.099 -5.898 9.316 1.00 1.50 H new ATOM 370 N LYS A 22 135.280 0.646 5.648 1.00 0.33 N ATOM 371 CA LYS A 22 136.511 0.753 6.440 1.00 0.41 C ATOM 372 C LYS A 22 136.608 2.103 7.155 1.00 0.34 C ATOM 373 O LYS A 22 137.040 2.168 8.307 1.00 0.36 O ATOM 374 CB LYS A 22 137.739 0.557 5.546 1.00 0.56 C ATOM 375 CG LYS A 22 138.926 -0.063 6.266 1.00 0.77 C ATOM 376 CD LYS A 22 139.805 -0.860 5.312 1.00 0.95 C ATOM 377 CE LYS A 22 140.903 0.003 4.706 1.00 0.76 C ATOM 378 NZ LYS A 22 141.977 0.317 5.691 1.00 0.71 N ATOM 0 H LYS A 22 135.426 0.319 4.693 1.00 0.33 H new ATOM 0 HA LYS A 22 136.481 -0.032 7.196 1.00 0.41 H new ATOM 0 HB2 LYS A 22 137.466 -0.077 4.702 1.00 0.56 H new ATOM 0 HB3 LYS A 22 138.037 1.522 5.137 1.00 0.56 H new ATOM 0 HG2 LYS A 22 139.517 0.722 6.737 1.00 0.77 H new ATOM 0 HG3 LYS A 22 138.569 -0.715 7.063 1.00 0.77 H new ATOM 0 HD2 LYS A 22 140.253 -1.699 5.845 1.00 0.95 H new ATOM 0 HD3 LYS A 22 139.191 -1.280 4.516 1.00 0.95 H new ATOM 0 HE2 LYS A 22 141.337 -0.512 3.849 1.00 0.76 H new ATOM 0 HE3 LYS A 22 140.470 0.932 4.334 1.00 0.76 H new ATOM 0 HZ1 LYS A 22 142.800 0.711 5.193 1.00 0.71 H new ATOM 0 HZ2 LYS A 22 141.624 1.012 6.380 1.00 0.71 H new ATOM 0 HZ3 LYS A 22 142.257 -0.552 6.188 1.00 0.71 H new ATOM 392 N ASP A 23 136.193 3.176 6.474 1.00 0.34 N ATOM 393 CA ASP A 23 136.224 4.515 7.059 1.00 0.32 C ATOM 394 C ASP A 23 135.042 4.714 8.004 1.00 0.29 C ATOM 395 O ASP A 23 135.183 5.316 9.068 1.00 0.34 O ATOM 396 CB ASP A 23 136.203 5.581 5.959 1.00 0.37 C ATOM 397 CG ASP A 23 137.411 6.496 6.019 1.00 0.78 C ATOM 398 OD1 ASP A 23 137.416 7.419 6.861 1.00 1.15 O ATOM 399 OD2 ASP A 23 138.353 6.288 5.226 1.00 1.17 O ATOM 0 H ASP A 23 135.833 3.141 5.520 1.00 0.34 H new ATOM 0 HA ASP A 23 137.148 4.618 7.629 1.00 0.32 H new ATOM 0 HB2 ASP A 23 136.168 5.093 4.985 1.00 0.37 H new ATOM 0 HB3 ASP A 23 135.295 6.176 6.051 1.00 0.37 H new ATOM 404 N THR A 24 133.877 4.193 7.611 1.00 0.27 N ATOM 405 CA THR A 24 132.668 4.298 8.425 1.00 0.28 C ATOM 406 C THR A 24 132.834 3.554 9.755 1.00 0.27 C ATOM 407 O THR A 24 132.206 3.911 10.752 1.00 0.32 O ATOM 408 CB THR A 24 131.461 3.743 7.658 1.00 0.31 C ATOM 409 OG1 THR A 24 131.355 4.348 6.379 1.00 0.52 O ATOM 410 CG2 THR A 24 130.142 3.950 8.375 1.00 0.53 C ATOM 0 H THR A 24 133.747 3.693 6.731 1.00 0.27 H new ATOM 0 HA THR A 24 132.497 5.352 8.642 1.00 0.28 H new ATOM 0 HB THR A 24 131.644 2.672 7.575 1.00 0.31 H new ATOM 0 HG1 THR A 24 132.030 3.967 5.780 1.00 0.52 H new ATOM 0 HG21 THR A 24 129.333 3.533 7.775 1.00 0.53 H new ATOM 0 HG22 THR A 24 130.172 3.449 9.343 1.00 0.53 H new ATOM 0 HG23 THR A 24 129.972 5.016 8.523 1.00 0.53 H new ATOM 418 N HIS A 25 133.690 2.525 9.764 1.00 0.27 N ATOM 419 CA HIS A 25 133.944 1.742 10.972 1.00 0.31 C ATOM 420 C HIS A 25 134.788 2.541 11.960 1.00 0.33 C ATOM 421 O HIS A 25 134.453 2.628 13.140 1.00 0.43 O ATOM 422 CB HIS A 25 134.642 0.422 10.622 1.00 0.37 C ATOM 423 CG HIS A 25 134.321 -0.705 11.558 1.00 0.38 C ATOM 424 ND1 HIS A 25 133.523 -0.561 12.676 1.00 0.92 N ATOM 425 CD2 HIS A 25 134.696 -2.006 11.535 1.00 0.92 C ATOM 426 CE1 HIS A 25 133.424 -1.721 13.297 1.00 0.79 C ATOM 427 NE2 HIS A 25 134.125 -2.615 12.625 1.00 0.75 N ATOM 0 H HIS A 25 134.217 2.218 8.946 1.00 0.27 H new ATOM 0 HA HIS A 25 132.986 1.514 11.439 1.00 0.31 H new ATOM 0 HB2 HIS A 25 134.361 0.131 9.610 1.00 0.37 H new ATOM 0 HB3 HIS A 25 135.720 0.583 10.619 1.00 0.37 H new ATOM 0 HD2 HIS A 25 135.327 -2.477 10.796 1.00 0.92 H new ATOM 0 HE1 HIS A 25 132.864 -1.907 14.202 1.00 0.79 H new ATOM 0 HE2 HIS A 25 134.226 -3.599 12.875 1.00 0.75 H new ATOM 436 N ILE A 26 135.871 3.148 11.469 1.00 0.31 N ATOM 437 CA ILE A 26 136.732 3.970 12.320 1.00 0.35 C ATOM 438 C ILE A 26 135.990 5.241 12.749 1.00 0.34 C ATOM 439 O ILE A 26 136.307 5.841 13.777 1.00 0.46 O ATOM 440 CB ILE A 26 138.054 4.354 11.613 1.00 0.42 C ATOM 441 CG1 ILE A 26 137.779 5.161 10.340 1.00 0.40 C ATOM 442 CG2 ILE A 26 138.864 3.106 11.290 1.00 0.56 C ATOM 443 CD1 ILE A 26 138.967 5.967 9.862 1.00 0.68 C ATOM 0 H ILE A 26 136.170 3.087 10.496 1.00 0.31 H new ATOM 0 HA ILE A 26 136.984 3.374 13.197 1.00 0.35 H new ATOM 0 HB ILE A 26 138.634 4.980 12.291 1.00 0.42 H new ATOM 0 HG12 ILE A 26 137.471 4.479 9.547 1.00 0.40 H new ATOM 0 HG13 ILE A 26 136.943 5.836 10.522 1.00 0.40 H new ATOM 0 HG21 ILE A 26 139.791 3.392 10.793 1.00 0.56 H new ATOM 0 HG22 ILE A 26 139.096 2.574 12.213 1.00 0.56 H new ATOM 0 HG23 ILE A 26 138.286 2.457 10.633 1.00 0.56 H new ATOM 0 HD11 ILE A 26 138.697 6.511 8.957 1.00 0.68 H new ATOM 0 HD12 ILE A 26 139.262 6.675 10.637 1.00 0.68 H new ATOM 0 HD13 ILE A 26 139.799 5.296 9.647 1.00 0.68 H new ATOM 455 N ARG A 27 134.986 5.625 11.951 1.00 0.29 N ATOM 456 CA ARG A 27 134.170 6.802 12.232 1.00 0.35 C ATOM 457 C ARG A 27 133.117 6.486 13.295 1.00 0.34 C ATOM 458 O ARG A 27 132.903 7.276 14.216 1.00 0.39 O ATOM 459 CB ARG A 27 133.491 7.299 10.952 1.00 0.44 C ATOM 460 CG ARG A 27 133.130 8.776 10.987 1.00 0.52 C ATOM 461 CD ARG A 27 131.653 8.999 10.698 1.00 0.81 C ATOM 462 NE ARG A 27 131.032 9.905 11.665 1.00 0.91 N ATOM 463 CZ ARG A 27 129.712 10.040 11.825 1.00 0.92 C ATOM 464 NH1 ARG A 27 128.865 9.333 11.080 1.00 1.19 N ATOM 465 NH2 ARG A 27 129.239 10.887 12.734 1.00 1.68 N ATOM 0 H ARG A 27 134.722 5.130 11.100 1.00 0.29 H new ATOM 0 HA ARG A 27 134.823 7.587 12.612 1.00 0.35 H new ATOM 0 HB2 ARG A 27 134.152 7.115 10.105 1.00 0.44 H new ATOM 0 HB3 ARG A 27 132.586 6.716 10.781 1.00 0.44 H new ATOM 0 HG2 ARG A 27 133.376 9.188 11.966 1.00 0.52 H new ATOM 0 HG3 ARG A 27 133.730 9.315 10.254 1.00 0.52 H new ATOM 0 HD2 ARG A 27 131.538 9.408 9.694 1.00 0.81 H new ATOM 0 HD3 ARG A 27 131.133 8.041 10.714 1.00 0.81 H new ATOM 0 HE ARG A 27 131.645 10.469 12.254 1.00 0.91 H new ATOM 0 HH11 ARG A 27 129.222 8.682 10.381 1.00 1.19 H new ATOM 0 HH12 ARG A 27 127.859 9.442 11.209 1.00 1.19 H new ATOM 0 HH21 ARG A 27 129.883 11.432 13.307 1.00 1.68 H new ATOM 0 HH22 ARG A 27 128.232 10.992 12.858 1.00 1.68 H new ATOM 479 N GLU A 28 132.466 5.323 13.167 1.00 0.33 N ATOM 480 CA GLU A 28 131.443 4.911 14.126 1.00 0.38 C ATOM 481 C GLU A 28 132.078 4.505 15.457 1.00 0.37 C ATOM 482 O GLU A 28 131.577 4.865 16.524 1.00 0.47 O ATOM 483 CB GLU A 28 130.574 3.775 13.563 1.00 0.48 C ATOM 484 CG GLU A 28 131.306 2.455 13.357 1.00 0.81 C ATOM 485 CD GLU A 28 131.178 1.513 14.542 1.00 1.22 C ATOM 486 OE1 GLU A 28 130.040 1.282 15.002 1.00 1.66 O ATOM 487 OE2 GLU A 28 132.218 1.001 15.007 1.00 1.85 O ATOM 0 H GLU A 28 132.631 4.657 12.412 1.00 0.33 H new ATOM 0 HA GLU A 28 130.792 5.767 14.306 1.00 0.38 H new ATOM 0 HB2 GLU A 28 129.736 3.608 14.239 1.00 0.48 H new ATOM 0 HB3 GLU A 28 130.155 4.095 12.609 1.00 0.48 H new ATOM 0 HG2 GLU A 28 130.914 1.964 12.466 1.00 0.81 H new ATOM 0 HG3 GLU A 28 132.361 2.656 13.172 1.00 0.81 H new ATOM 494 N LEU A 29 133.185 3.758 15.390 1.00 0.34 N ATOM 495 CA LEU A 29 133.891 3.309 16.590 1.00 0.38 C ATOM 496 C LEU A 29 134.480 4.493 17.363 1.00 0.42 C ATOM 497 O LEU A 29 134.656 4.415 18.580 1.00 0.80 O ATOM 498 CB LEU A 29 135.005 2.325 16.214 1.00 0.48 C ATOM 499 CG LEU A 29 135.265 1.214 17.236 1.00 0.49 C ATOM 500 CD1 LEU A 29 134.844 -0.139 16.678 1.00 0.84 C ATOM 501 CD2 LEU A 29 136.734 1.192 17.640 1.00 0.58 C ATOM 0 H LEU A 29 133.610 3.452 14.515 1.00 0.34 H new ATOM 0 HA LEU A 29 133.169 2.806 17.234 1.00 0.38 H new ATOM 0 HB2 LEU A 29 134.755 1.866 15.258 1.00 0.48 H new ATOM 0 HB3 LEU A 29 135.928 2.885 16.067 1.00 0.48 H new ATOM 0 HG LEU A 29 134.667 1.419 18.124 1.00 0.49 H new ATOM 0 HD11 LEU A 29 135.037 -0.914 17.419 1.00 0.84 H new ATOM 0 HD12 LEU A 29 133.780 -0.120 16.441 1.00 0.84 H new ATOM 0 HD13 LEU A 29 135.413 -0.352 15.773 1.00 0.84 H new ATOM 0 HD21 LEU A 29 136.900 0.396 18.366 1.00 0.58 H new ATOM 0 HD22 LEU A 29 137.351 1.013 16.759 1.00 0.58 H new ATOM 0 HD23 LEU A 29 137.004 2.150 18.084 1.00 0.58 H new ATOM 513 N GLU A 30 134.771 5.590 16.654 1.00 0.42 N ATOM 514 CA GLU A 30 135.327 6.788 17.284 1.00 0.46 C ATOM 515 C GLU A 30 134.313 7.423 18.239 1.00 0.46 C ATOM 516 O GLU A 30 134.693 8.072 19.215 1.00 0.61 O ATOM 517 CB GLU A 30 135.755 7.806 16.221 1.00 0.51 C ATOM 518 CG GLU A 30 137.254 8.058 16.193 1.00 0.57 C ATOM 519 CD GLU A 30 137.709 8.999 17.294 1.00 0.91 C ATOM 520 OE1 GLU A 30 137.754 8.565 18.466 1.00 1.33 O ATOM 521 OE2 GLU A 30 138.019 10.169 16.985 1.00 1.24 O ATOM 0 H GLU A 30 134.630 5.671 15.647 1.00 0.42 H new ATOM 0 HA GLU A 30 136.204 6.489 17.859 1.00 0.46 H new ATOM 0 HB2 GLU A 30 135.435 7.452 15.241 1.00 0.51 H new ATOM 0 HB3 GLU A 30 135.239 8.749 16.403 1.00 0.51 H new ATOM 0 HG2 GLU A 30 137.780 7.108 16.291 1.00 0.57 H new ATOM 0 HG3 GLU A 30 137.530 8.477 15.225 1.00 0.57 H new ATOM 528 N ASP A 31 133.023 7.209 17.961 1.00 0.43 N ATOM 529 CA ASP A 31 131.955 7.736 18.804 1.00 0.58 C ATOM 530 C ASP A 31 131.914 6.981 20.131 1.00 0.59 C ATOM 531 O ASP A 31 131.780 7.586 21.197 1.00 0.78 O ATOM 532 CB ASP A 31 130.603 7.622 18.093 1.00 0.71 C ATOM 533 CG ASP A 31 129.783 8.893 18.203 1.00 1.27 C ATOM 534 OD1 ASP A 31 129.100 9.073 19.234 1.00 1.65 O ATOM 535 OD2 ASP A 31 129.824 9.709 17.258 1.00 1.73 O ATOM 0 H ASP A 31 132.697 6.673 17.157 1.00 0.43 H new ATOM 0 HA ASP A 31 132.156 8.789 19.000 1.00 0.58 H new ATOM 0 HB2 ASP A 31 130.767 7.389 17.041 1.00 0.71 H new ATOM 0 HB3 ASP A 31 130.040 6.792 18.519 1.00 0.71 H new ATOM 540 N TYR A 32 132.052 5.655 20.054 1.00 0.51 N ATOM 541 CA TYR A 32 132.053 4.805 21.243 1.00 0.56 C ATOM 542 C TYR A 32 133.291 5.080 22.097 1.00 0.55 C ATOM 543 O TYR A 32 133.220 5.079 23.326 1.00 0.64 O ATOM 544 CB TYR A 32 132.018 3.326 20.843 1.00 0.61 C ATOM 545 CG TYR A 32 130.696 2.882 20.255 1.00 0.70 C ATOM 546 CD1 TYR A 32 129.596 2.646 21.070 1.00 1.15 C ATOM 547 CD2 TYR A 32 130.550 2.696 18.885 1.00 0.98 C ATOM 548 CE1 TYR A 32 128.388 2.238 20.538 1.00 1.38 C ATOM 549 CE2 TYR A 32 129.345 2.289 18.346 1.00 1.19 C ATOM 550 CZ TYR A 32 128.268 2.061 19.176 1.00 1.23 C ATOM 551 OH TYR A 32 127.066 1.655 18.642 1.00 1.55 O ATOM 0 H TYR A 32 132.165 5.147 19.177 1.00 0.51 H new ATOM 0 HA TYR A 32 131.162 5.036 21.827 1.00 0.56 H new ATOM 0 HB2 TYR A 32 132.809 3.137 20.117 1.00 0.61 H new ATOM 0 HB3 TYR A 32 132.237 2.717 21.720 1.00 0.61 H new ATOM 0 HD1 TYR A 32 129.687 2.784 22.137 1.00 1.15 H new ATOM 0 HD2 TYR A 32 131.392 2.872 18.232 1.00 0.98 H new ATOM 0 HE1 TYR A 32 127.542 2.059 21.185 1.00 1.38 H new ATOM 0 HE2 TYR A 32 129.247 2.150 17.279 1.00 1.19 H new ATOM 0 HH TYR A 32 127.150 1.579 17.669 1.00 1.55 H new ATOM 561 N ILE A 33 134.423 5.322 21.430 1.00 0.53 N ATOM 562 CA ILE A 33 135.681 5.607 22.117 1.00 0.62 C ATOM 563 C ILE A 33 135.639 6.970 22.812 1.00 0.58 C ATOM 564 O ILE A 33 136.297 7.167 23.836 1.00 0.77 O ATOM 565 CB ILE A 33 136.880 5.570 21.140 1.00 0.75 C ATOM 566 CG1 ILE A 33 137.044 4.168 20.546 1.00 0.82 C ATOM 567 CG2 ILE A 33 138.163 6.002 21.841 1.00 0.94 C ATOM 568 CD1 ILE A 33 137.784 4.151 19.226 1.00 0.85 C ATOM 0 H ILE A 33 134.492 5.326 20.412 1.00 0.53 H new ATOM 0 HA ILE A 33 135.812 4.828 22.868 1.00 0.62 H new ATOM 0 HB ILE A 33 136.680 6.271 20.329 1.00 0.75 H new ATOM 0 HG12 ILE A 33 137.577 3.540 21.260 1.00 0.82 H new ATOM 0 HG13 ILE A 33 136.058 3.724 20.406 1.00 0.82 H new ATOM 0 HG21 ILE A 33 138.993 5.968 21.135 1.00 0.94 H new ATOM 0 HG22 ILE A 33 138.048 7.019 22.217 1.00 0.94 H new ATOM 0 HG23 ILE A 33 138.367 5.328 22.673 1.00 0.94 H new ATOM 0 HD11 ILE A 33 137.862 3.125 18.866 1.00 0.85 H new ATOM 0 HD12 ILE A 33 137.240 4.751 18.496 1.00 0.85 H new ATOM 0 HD13 ILE A 33 138.783 4.564 19.364 1.00 0.85 H new ATOM 580 N ASP A 34 134.868 7.911 22.254 1.00 0.49 N ATOM 581 CA ASP A 34 134.753 9.253 22.825 1.00 0.54 C ATOM 582 C ASP A 34 134.226 9.220 24.261 1.00 0.44 C ATOM 583 O ASP A 34 134.579 10.076 25.059 1.00 0.47 O ATOM 584 CB ASP A 34 133.844 10.127 21.953 1.00 0.75 C ATOM 585 CG ASP A 34 134.616 11.209 21.223 1.00 0.90 C ATOM 586 OD1 ASP A 34 134.838 12.285 21.819 1.00 1.42 O ATOM 587 OD2 ASP A 34 135.002 10.979 20.057 1.00 1.49 O ATOM 0 H ASP A 34 134.316 7.766 21.409 1.00 0.49 H new ATOM 0 HA ASP A 34 135.754 9.683 22.849 1.00 0.54 H new ATOM 0 HB2 ASP A 34 133.327 9.499 21.227 1.00 0.75 H new ATOM 0 HB3 ASP A 34 133.079 10.588 22.577 1.00 0.75 H new ATOM 592 N ASN A 35 133.376 8.238 24.577 1.00 0.53 N ATOM 593 CA ASN A 35 132.796 8.097 25.920 1.00 0.57 C ATOM 594 C ASN A 35 133.823 8.407 27.014 1.00 0.47 C ATOM 595 O ASN A 35 133.505 9.085 27.993 1.00 0.58 O ATOM 596 CB ASN A 35 132.235 6.685 26.113 1.00 0.74 C ATOM 597 CG ASN A 35 130.801 6.563 25.628 1.00 0.88 C ATOM 598 OD1 ASN A 35 129.859 6.695 26.409 1.00 1.62 O ATOM 599 ND2 ASN A 35 130.627 6.311 24.334 1.00 1.32 N ATOM 0 H ASN A 35 133.071 7.523 23.916 1.00 0.53 H new ATOM 0 HA ASN A 35 131.985 8.821 26.006 1.00 0.57 H new ATOM 0 HB2 ASN A 35 132.860 5.972 25.576 1.00 0.74 H new ATOM 0 HB3 ASN A 35 132.283 6.419 27.169 1.00 0.74 H new ATOM 0 HD21 ASN A 35 129.685 6.220 23.954 1.00 1.32 H new ATOM 0 HD22 ASN A 35 131.436 6.209 23.721 1.00 1.32 H new ATOM 606 N LEU A 36 135.057 7.926 26.831 1.00 0.42 N ATOM 607 CA LEU A 36 136.131 8.177 27.794 1.00 0.47 C ATOM 608 C LEU A 36 136.418 9.676 27.874 1.00 0.42 C ATOM 609 O LEU A 36 136.483 10.251 28.962 1.00 0.53 O ATOM 610 CB LEU A 36 137.405 7.418 27.398 1.00 0.66 C ATOM 611 CG LEU A 36 137.204 5.944 27.035 1.00 0.85 C ATOM 612 CD1 LEU A 36 138.431 5.397 26.320 1.00 1.04 C ATOM 613 CD2 LEU A 36 136.897 5.122 28.279 1.00 1.66 C ATOM 0 H LEU A 36 135.335 7.363 26.027 1.00 0.42 H new ATOM 0 HA LEU A 36 135.809 7.820 28.772 1.00 0.47 H new ATOM 0 HB2 LEU A 36 137.861 7.925 26.548 1.00 0.66 H new ATOM 0 HB3 LEU A 36 138.115 7.478 28.223 1.00 0.66 H new ATOM 0 HG LEU A 36 136.352 5.871 26.359 1.00 0.85 H new ATOM 0 HD11 LEU A 36 138.269 4.348 26.070 1.00 1.04 H new ATOM 0 HD12 LEU A 36 138.603 5.965 25.406 1.00 1.04 H new ATOM 0 HD13 LEU A 36 139.301 5.485 26.971 1.00 1.04 H new ATOM 0 HD21 LEU A 36 136.758 4.078 28.000 1.00 1.66 H new ATOM 0 HD22 LEU A 36 137.726 5.202 28.982 1.00 1.66 H new ATOM 0 HD23 LEU A 36 135.987 5.497 28.747 1.00 1.66 H new ATOM 625 N LEU A 37 136.563 10.301 26.703 1.00 0.36 N ATOM 626 CA LEU A 37 136.813 11.735 26.605 1.00 0.40 C ATOM 627 C LEU A 37 135.632 12.437 25.922 1.00 0.32 C ATOM 628 O LEU A 37 135.782 13.051 24.862 1.00 0.42 O ATOM 629 CB LEU A 37 138.116 12.004 25.841 1.00 0.56 C ATOM 630 CG LEU A 37 138.215 11.339 24.464 1.00 0.55 C ATOM 631 CD1 LEU A 37 138.843 12.289 23.455 1.00 0.73 C ATOM 632 CD2 LEU A 37 139.011 10.044 24.553 1.00 0.63 C ATOM 0 H LEU A 37 136.510 9.827 25.802 1.00 0.36 H new ATOM 0 HA LEU A 37 136.919 12.138 27.612 1.00 0.40 H new ATOM 0 HB2 LEU A 37 138.229 13.081 25.715 1.00 0.56 H new ATOM 0 HB3 LEU A 37 138.953 11.665 26.451 1.00 0.56 H new ATOM 0 HG LEU A 37 137.208 11.099 24.124 1.00 0.55 H new ATOM 0 HD11 LEU A 37 138.905 11.799 22.483 1.00 0.73 H new ATOM 0 HD12 LEU A 37 138.231 13.187 23.370 1.00 0.73 H new ATOM 0 HD13 LEU A 37 139.844 12.563 23.787 1.00 0.73 H new ATOM 0 HD21 LEU A 37 139.071 9.585 23.566 1.00 0.63 H new ATOM 0 HD22 LEU A 37 140.016 10.259 24.915 1.00 0.63 H new ATOM 0 HD23 LEU A 37 138.516 9.359 25.242 1.00 0.63 H new ATOM 644 N VAL A 38 134.453 12.325 26.543 1.00 0.29 N ATOM 645 CA VAL A 38 133.227 12.941 26.031 1.00 0.41 C ATOM 646 C VAL A 38 132.111 12.858 27.078 1.00 0.38 C ATOM 647 O VAL A 38 132.130 11.979 27.943 1.00 0.61 O ATOM 648 CB VAL A 38 132.755 12.291 24.705 1.00 0.59 C ATOM 649 CG1 VAL A 38 131.761 11.163 24.958 1.00 0.97 C ATOM 650 CG2 VAL A 38 132.153 13.341 23.781 1.00 0.99 C ATOM 0 H VAL A 38 134.323 11.806 27.412 1.00 0.29 H new ATOM 0 HA VAL A 38 133.456 13.986 25.823 1.00 0.41 H new ATOM 0 HB VAL A 38 133.628 11.857 24.218 1.00 0.59 H new ATOM 0 HG11 VAL A 38 131.452 10.730 24.007 1.00 0.97 H new ATOM 0 HG12 VAL A 38 132.232 10.394 25.570 1.00 0.97 H new ATOM 0 HG13 VAL A 38 130.888 11.557 25.478 1.00 0.97 H new ATOM 0 HG21 VAL A 38 131.827 12.867 22.855 1.00 0.99 H new ATOM 0 HG22 VAL A 38 131.298 13.809 24.270 1.00 0.99 H new ATOM 0 HG23 VAL A 38 132.902 14.100 23.556 1.00 0.99 H new ATOM 660 N ARG A 39 131.146 13.777 27.002 1.00 0.44 N ATOM 661 CA ARG A 39 130.031 13.803 27.951 1.00 0.47 C ATOM 662 C ARG A 39 129.285 12.468 27.965 1.00 0.53 C ATOM 663 O ARG A 39 128.712 12.055 26.955 1.00 0.86 O ATOM 664 CB ARG A 39 129.064 14.941 27.608 1.00 0.59 C ATOM 665 CG ARG A 39 128.231 15.412 28.791 1.00 0.75 C ATOM 666 CD ARG A 39 127.702 16.823 28.578 1.00 0.97 C ATOM 667 NE ARG A 39 126.260 16.912 28.813 1.00 0.93 N ATOM 668 CZ ARG A 39 125.702 17.044 30.021 1.00 1.00 C ATOM 669 NH1 ARG A 39 126.458 17.093 31.116 1.00 1.27 N ATOM 670 NH2 ARG A 39 124.380 17.124 30.133 1.00 1.48 N ATOM 0 H ARG A 39 131.114 14.511 26.295 1.00 0.44 H new ATOM 0 HA ARG A 39 130.443 13.974 28.946 1.00 0.47 H new ATOM 0 HB2 ARG A 39 129.633 15.784 27.217 1.00 0.59 H new ATOM 0 HB3 ARG A 39 128.396 14.611 26.813 1.00 0.59 H new ATOM 0 HG2 ARG A 39 127.395 14.729 28.943 1.00 0.75 H new ATOM 0 HG3 ARG A 39 128.836 15.383 29.697 1.00 0.75 H new ATOM 0 HD2 ARG A 39 128.221 17.509 29.247 1.00 0.97 H new ATOM 0 HD3 ARG A 39 127.923 17.143 27.560 1.00 0.97 H new ATOM 0 HE ARG A 39 125.641 16.871 28.003 1.00 0.93 H new ATOM 0 HH11 ARG A 39 127.473 17.030 31.038 1.00 1.27 H new ATOM 0 HH12 ARG A 39 126.022 17.194 32.033 1.00 1.27 H new ATOM 0 HH21 ARG A 39 123.794 17.085 29.299 1.00 1.48 H new ATOM 0 HH22 ARG A 39 123.951 17.225 31.053 1.00 1.48 H new ATOM 684 N VAL A 40 129.302 11.799 29.120 1.00 0.46 N ATOM 685 CA VAL A 40 128.632 10.508 29.276 1.00 0.53 C ATOM 686 C VAL A 40 127.218 10.678 29.830 1.00 0.53 C ATOM 687 O VAL A 40 126.923 11.659 30.518 1.00 0.66 O ATOM 688 CB VAL A 40 129.428 9.557 30.200 1.00 0.64 C ATOM 689 CG1 VAL A 40 130.729 9.129 29.536 1.00 0.71 C ATOM 690 CG2 VAL A 40 129.701 10.206 31.552 1.00 0.78 C ATOM 0 H VAL A 40 129.773 12.131 29.961 1.00 0.46 H new ATOM 0 HA VAL A 40 128.577 10.066 28.281 1.00 0.53 H new ATOM 0 HB VAL A 40 128.821 8.668 30.372 1.00 0.64 H new ATOM 0 HG11 VAL A 40 131.275 8.460 30.202 1.00 0.71 H new ATOM 0 HG12 VAL A 40 130.508 8.611 28.603 1.00 0.71 H new ATOM 0 HG13 VAL A 40 131.338 10.009 29.327 1.00 0.71 H new ATOM 0 HG21 VAL A 40 130.262 9.515 32.181 1.00 0.78 H new ATOM 0 HG22 VAL A 40 130.281 11.117 31.408 1.00 0.78 H new ATOM 0 HG23 VAL A 40 128.755 10.451 32.036 1.00 0.78 H new ATOM 700 N MET A 41 126.347 9.715 29.525 1.00 0.53 N ATOM 701 CA MET A 41 124.961 9.749 29.988 1.00 0.60 C ATOM 702 C MET A 41 124.650 8.541 30.867 1.00 0.86 C ATOM 703 O MET A 41 123.977 8.662 31.891 1.00 1.20 O ATOM 704 CB MET A 41 124.000 9.792 28.794 1.00 0.75 C ATOM 705 CG MET A 41 124.185 8.644 27.812 1.00 0.56 C ATOM 706 SD MET A 41 122.720 8.348 26.804 1.00 0.67 S ATOM 707 CE MET A 41 122.815 9.719 25.654 1.00 0.54 C ATOM 0 H MET A 41 126.579 8.900 28.957 1.00 0.53 H new ATOM 0 HA MET A 41 124.826 10.652 30.584 1.00 0.60 H new ATOM 0 HB2 MET A 41 122.975 9.779 29.164 1.00 0.75 H new ATOM 0 HB3 MET A 41 124.135 10.735 28.265 1.00 0.75 H new ATOM 0 HG2 MET A 41 125.031 8.861 27.161 1.00 0.56 H new ATOM 0 HG3 MET A 41 124.432 7.736 28.363 1.00 0.56 H new ATOM 0 HE1 MET A 41 121.973 9.673 24.963 1.00 0.54 H new ATOM 0 HE2 MET A 41 122.782 10.659 26.205 1.00 0.54 H new ATOM 0 HE3 MET A 41 123.748 9.660 25.094 1.00 0.54 H new ATOM 718 N GLY B 1 134.962 4.020 -28.152 1.00 0.61 N ATOM 719 CA GLY B 1 136.404 4.077 -27.779 1.00 0.61 C ATOM 720 C GLY B 1 136.874 2.822 -27.067 1.00 0.52 C ATOM 721 O GLY B 1 136.645 1.709 -27.544 1.00 0.60 O ATOM 0 H1 GLY B 1 134.693 4.901 -28.635 1.00 0.61 H new ATOM 0 H2 GLY B 1 134.800 3.213 -28.788 1.00 0.61 H new ATOM 0 H3 GLY B 1 134.386 3.906 -27.294 1.00 0.61 H new ATOM 0 HA2 GLY B 1 137.002 4.226 -28.678 1.00 0.61 H new ATOM 0 HA3 GLY B 1 136.575 4.940 -27.136 1.00 0.61 H new ATOM 727 N SER B 2 137.535 3.003 -25.923 1.00 0.50 N ATOM 728 CA SER B 2 138.043 1.877 -25.140 1.00 0.49 C ATOM 729 C SER B 2 137.369 1.789 -23.770 1.00 0.47 C ATOM 730 O SER B 2 137.820 1.031 -22.913 1.00 0.63 O ATOM 731 CB SER B 2 139.560 1.993 -24.970 1.00 0.55 C ATOM 732 OG SER B 2 140.214 2.060 -26.227 1.00 0.67 O ATOM 0 H SER B 2 137.731 3.919 -25.518 1.00 0.50 H new ATOM 0 HA SER B 2 137.808 0.964 -25.686 1.00 0.49 H new ATOM 0 HB2 SER B 2 139.796 2.883 -24.387 1.00 0.55 H new ATOM 0 HB3 SER B 2 139.932 1.136 -24.409 1.00 0.55 H new ATOM 0 HG SER B 2 141.181 2.135 -26.089 1.00 0.67 H new ATOM 738 N LEU B 3 136.278 2.542 -23.573 1.00 0.48 N ATOM 739 CA LEU B 3 135.541 2.511 -22.308 1.00 0.55 C ATOM 740 C LEU B 3 134.690 1.244 -22.255 1.00 0.65 C ATOM 741 O LEU B 3 133.459 1.300 -22.311 1.00 1.02 O ATOM 742 CB LEU B 3 134.654 3.756 -22.170 1.00 0.62 C ATOM 743 CG LEU B 3 135.367 5.016 -21.672 1.00 0.61 C ATOM 744 CD1 LEU B 3 136.102 5.704 -22.813 1.00 0.61 C ATOM 745 CD2 LEU B 3 134.372 5.968 -21.025 1.00 0.76 C ATOM 0 H LEU B 3 135.890 3.176 -24.271 1.00 0.48 H new ATOM 0 HA LEU B 3 136.249 2.508 -21.479 1.00 0.55 H new ATOM 0 HB2 LEU B 3 134.206 3.972 -23.140 1.00 0.62 H new ATOM 0 HB3 LEU B 3 133.838 3.526 -21.485 1.00 0.62 H new ATOM 0 HG LEU B 3 136.102 4.722 -20.922 1.00 0.61 H new ATOM 0 HD11 LEU B 3 136.602 6.597 -22.438 1.00 0.61 H new ATOM 0 HD12 LEU B 3 136.842 5.023 -23.232 1.00 0.61 H new ATOM 0 HD13 LEU B 3 135.389 5.986 -23.588 1.00 0.61 H new ATOM 0 HD21 LEU B 3 134.895 6.859 -20.676 1.00 0.76 H new ATOM 0 HD22 LEU B 3 133.615 6.254 -21.755 1.00 0.76 H new ATOM 0 HD23 LEU B 3 133.893 5.474 -20.180 1.00 0.76 H new ATOM 757 N THR B 4 135.367 0.097 -22.186 1.00 0.46 N ATOM 758 CA THR B 4 134.707 -1.203 -22.170 1.00 0.55 C ATOM 759 C THR B 4 135.494 -2.202 -21.310 1.00 0.42 C ATOM 760 O THR B 4 136.260 -1.806 -20.434 1.00 0.43 O ATOM 761 CB THR B 4 134.556 -1.725 -23.610 1.00 0.72 C ATOM 762 OG1 THR B 4 135.824 -1.947 -24.204 1.00 0.70 O ATOM 763 CG2 THR B 4 133.784 -0.785 -24.515 1.00 0.90 C ATOM 0 H THR B 4 136.385 0.046 -22.140 1.00 0.46 H new ATOM 0 HA THR B 4 133.717 -1.091 -21.729 1.00 0.55 H new ATOM 0 HB THR B 4 133.996 -2.655 -23.517 1.00 0.72 H new ATOM 0 HG1 THR B 4 135.703 -2.280 -25.118 1.00 0.70 H new ATOM 0 HG21 THR B 4 133.716 -1.216 -25.514 1.00 0.90 H new ATOM 0 HG22 THR B 4 132.781 -0.637 -24.115 1.00 0.90 H new ATOM 0 HG23 THR B 4 134.299 0.174 -24.568 1.00 0.90 H new ATOM 771 N TYR B 5 135.274 -3.494 -21.563 1.00 0.50 N ATOM 772 CA TYR B 5 135.942 -4.574 -20.823 1.00 0.45 C ATOM 773 C TYR B 5 137.414 -4.246 -20.537 1.00 0.41 C ATOM 774 O TYR B 5 137.838 -4.232 -19.381 1.00 0.46 O ATOM 775 CB TYR B 5 135.843 -5.890 -21.600 1.00 0.57 C ATOM 776 CG TYR B 5 136.447 -7.077 -20.875 1.00 0.50 C ATOM 777 CD1 TYR B 5 136.248 -7.262 -19.511 1.00 0.69 C ATOM 778 CD2 TYR B 5 137.218 -8.010 -21.556 1.00 0.80 C ATOM 779 CE1 TYR B 5 136.799 -8.342 -18.849 1.00 0.69 C ATOM 780 CE2 TYR B 5 137.773 -9.093 -20.901 1.00 0.92 C ATOM 781 CZ TYR B 5 137.560 -9.255 -19.548 1.00 0.67 C ATOM 782 OH TYR B 5 138.110 -10.333 -18.892 1.00 0.84 O ATOM 0 H TYR B 5 134.631 -3.823 -22.283 1.00 0.50 H new ATOM 0 HA TYR B 5 135.431 -4.678 -19.866 1.00 0.45 H new ATOM 0 HB2 TYR B 5 134.794 -6.099 -21.809 1.00 0.57 H new ATOM 0 HB3 TYR B 5 136.342 -5.771 -22.562 1.00 0.57 H new ATOM 0 HD1 TYR B 5 135.653 -6.549 -18.960 1.00 0.69 H new ATOM 0 HD2 TYR B 5 137.387 -7.887 -22.616 1.00 0.80 H new ATOM 0 HE1 TYR B 5 136.635 -8.471 -17.789 1.00 0.69 H new ATOM 0 HE2 TYR B 5 138.371 -9.809 -21.446 1.00 0.92 H new ATOM 0 HH TYR B 5 138.616 -10.880 -19.529 1.00 0.84 H new ATOM 792 N GLU B 6 138.189 -3.995 -21.596 1.00 0.49 N ATOM 793 CA GLU B 6 139.617 -3.675 -21.459 1.00 0.50 C ATOM 794 C GLU B 6 139.860 -2.514 -20.483 1.00 0.38 C ATOM 795 O GLU B 6 140.916 -2.439 -19.854 1.00 0.44 O ATOM 796 CB GLU B 6 140.213 -3.332 -22.827 1.00 0.62 C ATOM 797 CG GLU B 6 141.603 -3.906 -23.048 1.00 0.68 C ATOM 798 CD GLU B 6 142.185 -3.526 -24.396 1.00 0.83 C ATOM 799 OE1 GLU B 6 141.968 -4.278 -25.370 1.00 1.14 O ATOM 800 OE2 GLU B 6 142.857 -2.476 -24.479 1.00 1.01 O ATOM 0 H GLU B 6 137.853 -4.007 -22.559 1.00 0.49 H new ATOM 0 HA GLU B 6 140.109 -4.558 -21.052 1.00 0.50 H new ATOM 0 HB2 GLU B 6 139.548 -3.703 -23.607 1.00 0.62 H new ATOM 0 HB3 GLU B 6 140.256 -2.248 -22.934 1.00 0.62 H new ATOM 0 HG2 GLU B 6 142.267 -3.554 -22.258 1.00 0.68 H new ATOM 0 HG3 GLU B 6 141.560 -4.992 -22.968 1.00 0.68 H new ATOM 807 N GLU B 7 138.876 -1.621 -20.356 1.00 0.32 N ATOM 808 CA GLU B 7 138.985 -0.476 -19.451 1.00 0.29 C ATOM 809 C GLU B 7 138.762 -0.897 -18.001 1.00 0.27 C ATOM 810 O GLU B 7 139.587 -0.605 -17.133 1.00 0.43 O ATOM 811 CB GLU B 7 137.979 0.614 -19.831 1.00 0.43 C ATOM 812 CG GLU B 7 138.307 1.979 -19.247 1.00 0.57 C ATOM 813 CD GLU B 7 137.542 2.266 -17.968 1.00 0.72 C ATOM 814 OE1 GLU B 7 136.387 2.735 -18.060 1.00 1.00 O ATOM 815 OE2 GLU B 7 138.096 2.022 -16.875 1.00 0.80 O ATOM 0 H GLU B 7 137.995 -1.669 -20.868 1.00 0.32 H new ATOM 0 HA GLU B 7 139.995 -0.077 -19.547 1.00 0.29 H new ATOM 0 HB2 GLU B 7 137.937 0.694 -20.917 1.00 0.43 H new ATOM 0 HB3 GLU B 7 136.987 0.314 -19.494 1.00 0.43 H new ATOM 0 HG2 GLU B 7 139.377 2.037 -19.047 1.00 0.57 H new ATOM 0 HG3 GLU B 7 138.078 2.750 -19.983 1.00 0.57 H new ATOM 822 N VAL B 8 137.642 -1.580 -17.743 1.00 0.35 N ATOM 823 CA VAL B 8 137.313 -2.034 -16.392 1.00 0.37 C ATOM 824 C VAL B 8 138.423 -2.918 -15.812 1.00 0.28 C ATOM 825 O VAL B 8 138.665 -2.893 -14.604 1.00 0.40 O ATOM 826 CB VAL B 8 135.958 -2.782 -16.347 1.00 0.54 C ATOM 827 CG1 VAL B 8 135.998 -4.055 -17.179 1.00 0.44 C ATOM 828 CG2 VAL B 8 135.556 -3.088 -14.909 1.00 0.78 C ATOM 0 H VAL B 8 136.951 -1.829 -18.451 1.00 0.35 H new ATOM 0 HA VAL B 8 137.225 -1.139 -15.776 1.00 0.37 H new ATOM 0 HB VAL B 8 135.204 -2.126 -16.782 1.00 0.54 H new ATOM 0 HG11 VAL B 8 135.031 -4.555 -17.125 1.00 0.44 H new ATOM 0 HG12 VAL B 8 136.220 -3.805 -18.216 1.00 0.44 H new ATOM 0 HG13 VAL B 8 136.772 -4.718 -16.792 1.00 0.44 H new ATOM 0 HG21 VAL B 8 134.601 -3.614 -14.902 1.00 0.78 H new ATOM 0 HG22 VAL B 8 136.318 -3.713 -14.443 1.00 0.78 H new ATOM 0 HG23 VAL B 8 135.461 -2.156 -14.352 1.00 0.78 H new ATOM 838 N LEU B 9 139.113 -3.681 -16.673 1.00 0.35 N ATOM 839 CA LEU B 9 140.208 -4.542 -16.223 1.00 0.49 C ATOM 840 C LEU B 9 141.314 -3.695 -15.601 1.00 0.52 C ATOM 841 O LEU B 9 141.642 -3.861 -14.426 1.00 0.74 O ATOM 842 CB LEU B 9 140.767 -5.356 -17.395 1.00 0.65 C ATOM 843 CG LEU B 9 140.051 -6.681 -17.670 1.00 0.65 C ATOM 844 CD1 LEU B 9 140.173 -7.058 -19.140 1.00 0.85 C ATOM 845 CD2 LEU B 9 140.613 -7.786 -16.785 1.00 0.76 C ATOM 0 H LEU B 9 138.931 -3.717 -17.676 1.00 0.35 H new ATOM 0 HA LEU B 9 139.822 -5.233 -15.473 1.00 0.49 H new ATOM 0 HB2 LEU B 9 140.722 -4.744 -18.296 1.00 0.65 H new ATOM 0 HB3 LEU B 9 141.820 -5.564 -17.203 1.00 0.65 H new ATOM 0 HG LEU B 9 138.994 -6.557 -17.434 1.00 0.65 H new ATOM 0 HD11 LEU B 9 139.658 -8.002 -19.317 1.00 0.85 H new ATOM 0 HD12 LEU B 9 139.723 -6.278 -19.754 1.00 0.85 H new ATOM 0 HD13 LEU B 9 141.226 -7.164 -19.402 1.00 0.85 H new ATOM 0 HD21 LEU B 9 140.092 -8.720 -16.994 1.00 0.76 H new ATOM 0 HD22 LEU B 9 141.677 -7.910 -16.989 1.00 0.76 H new ATOM 0 HD23 LEU B 9 140.473 -7.520 -15.737 1.00 0.76 H new ATOM 857 N GLN B 10 141.881 -2.782 -16.399 1.00 0.41 N ATOM 858 CA GLN B 10 142.945 -1.893 -15.927 1.00 0.48 C ATOM 859 C GLN B 10 142.526 -1.193 -14.634 1.00 0.42 C ATOM 860 O GLN B 10 143.330 -1.030 -13.717 1.00 0.48 O ATOM 861 CB GLN B 10 143.285 -0.851 -16.999 1.00 0.58 C ATOM 862 CG GLN B 10 144.666 -1.032 -17.610 1.00 0.66 C ATOM 863 CD GLN B 10 145.727 -0.198 -16.915 1.00 0.81 C ATOM 864 OE1 GLN B 10 146.233 -0.575 -15.859 1.00 1.32 O ATOM 865 NE2 GLN B 10 146.070 0.943 -17.505 1.00 0.83 N ATOM 0 H GLN B 10 141.619 -2.641 -17.375 1.00 0.41 H new ATOM 0 HA GLN B 10 143.831 -2.496 -15.727 1.00 0.48 H new ATOM 0 HB2 GLN B 10 142.538 -0.900 -17.791 1.00 0.58 H new ATOM 0 HB3 GLN B 10 143.219 0.144 -16.560 1.00 0.58 H new ATOM 0 HG2 GLN B 10 144.946 -2.084 -17.560 1.00 0.66 H new ATOM 0 HG3 GLN B 10 144.630 -0.762 -18.665 1.00 0.66 H new ATOM 0 HE21 GLN B 10 145.625 1.218 -18.381 1.00 0.83 H new ATOM 0 HE22 GLN B 10 146.778 1.543 -17.082 1.00 0.83 H new ATOM 874 N GLU B 11 141.256 -0.787 -14.571 1.00 0.40 N ATOM 875 CA GLU B 11 140.711 -0.112 -13.394 1.00 0.42 C ATOM 876 C GLU B 11 140.854 -0.970 -12.131 1.00 0.37 C ATOM 877 O GLU B 11 140.916 -0.436 -11.024 1.00 0.54 O ATOM 878 CB GLU B 11 139.235 0.228 -13.620 1.00 0.48 C ATOM 879 CG GLU B 11 138.916 1.708 -13.480 1.00 0.62 C ATOM 880 CD GLU B 11 137.455 1.958 -13.159 1.00 0.99 C ATOM 881 OE1 GLU B 11 137.091 1.898 -11.965 1.00 1.53 O ATOM 882 OE2 GLU B 11 136.674 2.211 -14.101 1.00 1.61 O ATOM 0 H GLU B 11 140.583 -0.916 -15.327 1.00 0.40 H new ATOM 0 HA GLU B 11 141.282 0.805 -13.246 1.00 0.42 H new ATOM 0 HB2 GLU B 11 138.944 -0.104 -14.617 1.00 0.48 H new ATOM 0 HB3 GLU B 11 138.630 -0.333 -12.908 1.00 0.48 H new ATOM 0 HG2 GLU B 11 139.536 2.138 -12.693 1.00 0.62 H new ATOM 0 HG3 GLU B 11 139.175 2.222 -14.406 1.00 0.62 H new ATOM 889 N LEU B 12 140.916 -2.298 -12.300 1.00 0.32 N ATOM 890 CA LEU B 12 141.059 -3.220 -11.173 1.00 0.30 C ATOM 891 C LEU B 12 142.489 -3.207 -10.627 1.00 0.28 C ATOM 892 O LEU B 12 142.693 -3.233 -9.412 1.00 0.36 O ATOM 893 CB LEU B 12 140.678 -4.642 -11.609 1.00 0.32 C ATOM 894 CG LEU B 12 139.932 -5.477 -10.564 1.00 0.38 C ATOM 895 CD1 LEU B 12 140.830 -5.771 -9.372 1.00 0.62 C ATOM 896 CD2 LEU B 12 138.658 -4.770 -10.121 1.00 0.54 C ATOM 0 H LEU B 12 140.869 -2.755 -13.210 1.00 0.32 H new ATOM 0 HA LEU B 12 140.389 -2.892 -10.378 1.00 0.30 H new ATOM 0 HB2 LEU B 12 140.059 -4.575 -12.504 1.00 0.32 H new ATOM 0 HB3 LEU B 12 141.588 -5.173 -11.890 1.00 0.32 H new ATOM 0 HG LEU B 12 139.652 -6.426 -11.020 1.00 0.38 H new ATOM 0 HD11 LEU B 12 140.282 -6.365 -8.641 1.00 0.62 H new ATOM 0 HD12 LEU B 12 141.707 -6.325 -9.705 1.00 0.62 H new ATOM 0 HD13 LEU B 12 141.146 -4.833 -8.914 1.00 0.62 H new ATOM 0 HD21 LEU B 12 138.143 -5.380 -9.379 1.00 0.54 H new ATOM 0 HD22 LEU B 12 138.911 -3.804 -9.685 1.00 0.54 H new ATOM 0 HD23 LEU B 12 138.007 -4.620 -10.982 1.00 0.54 H new ATOM 908 N VAL B 13 143.475 -3.146 -11.531 1.00 0.25 N ATOM 909 CA VAL B 13 144.884 -3.108 -11.132 1.00 0.26 C ATOM 910 C VAL B 13 145.238 -1.775 -10.452 1.00 0.22 C ATOM 911 O VAL B 13 146.315 -1.633 -9.871 1.00 0.26 O ATOM 912 CB VAL B 13 145.828 -3.353 -12.335 1.00 0.33 C ATOM 913 CG1 VAL B 13 145.915 -2.126 -13.235 1.00 0.62 C ATOM 914 CG2 VAL B 13 147.211 -3.770 -11.855 1.00 0.52 C ATOM 0 H VAL B 13 143.322 -3.122 -12.539 1.00 0.25 H new ATOM 0 HA VAL B 13 145.028 -3.915 -10.414 1.00 0.26 H new ATOM 0 HB VAL B 13 145.408 -4.166 -12.927 1.00 0.33 H new ATOM 0 HG11 VAL B 13 146.586 -2.333 -14.069 1.00 0.62 H new ATOM 0 HG12 VAL B 13 144.923 -1.885 -13.618 1.00 0.62 H new ATOM 0 HG13 VAL B 13 146.298 -1.281 -12.662 1.00 0.62 H new ATOM 0 HG21 VAL B 13 147.859 -3.937 -12.715 1.00 0.52 H new ATOM 0 HG22 VAL B 13 147.632 -2.982 -11.231 1.00 0.52 H new ATOM 0 HG23 VAL B 13 147.133 -4.690 -11.275 1.00 0.52 H new ATOM 924 N LYS B 14 144.306 -0.817 -10.506 1.00 0.24 N ATOM 925 CA LYS B 14 144.496 0.483 -9.877 1.00 0.25 C ATOM 926 C LYS B 14 143.992 0.437 -8.437 1.00 0.22 C ATOM 927 O LYS B 14 144.716 0.794 -7.508 1.00 0.29 O ATOM 928 CB LYS B 14 143.762 1.575 -10.662 1.00 0.34 C ATOM 929 CG LYS B 14 144.595 2.189 -11.775 1.00 0.87 C ATOM 930 CD LYS B 14 143.849 3.314 -12.478 1.00 0.75 C ATOM 931 CE LYS B 14 144.344 4.681 -12.029 1.00 0.70 C ATOM 932 NZ LYS B 14 144.611 5.584 -13.184 1.00 0.72 N ATOM 0 H LYS B 14 143.411 -0.924 -10.983 1.00 0.24 H new ATOM 0 HA LYS B 14 145.560 0.721 -9.876 1.00 0.25 H new ATOM 0 HB2 LYS B 14 142.853 1.154 -11.090 1.00 0.34 H new ATOM 0 HB3 LYS B 14 143.455 2.362 -9.973 1.00 0.34 H new ATOM 0 HG2 LYS B 14 145.528 2.573 -11.362 1.00 0.87 H new ATOM 0 HG3 LYS B 14 144.860 1.419 -12.499 1.00 0.87 H new ATOM 0 HD2 LYS B 14 143.975 3.217 -13.556 1.00 0.75 H new ATOM 0 HD3 LYS B 14 142.782 3.227 -12.273 1.00 0.75 H new ATOM 0 HE2 LYS B 14 143.602 5.139 -11.375 1.00 0.70 H new ATOM 0 HE3 LYS B 14 145.255 4.562 -11.443 1.00 0.70 H new ATOM 0 HZ1 LYS B 14 144.946 6.504 -12.835 1.00 0.72 H new ATOM 0 HZ2 LYS B 14 145.338 5.160 -13.795 1.00 0.72 H new ATOM 0 HZ3 LYS B 14 143.736 5.719 -13.729 1.00 0.72 H new ATOM 946 N HIS B 15 142.735 0.007 -8.272 1.00 0.24 N ATOM 947 CA HIS B 15 142.098 -0.086 -6.955 1.00 0.27 C ATOM 948 C HIS B 15 143.031 -0.664 -5.896 1.00 0.25 C ATOM 949 O HIS B 15 143.255 -0.031 -4.862 1.00 0.45 O ATOM 950 CB HIS B 15 140.826 -0.931 -7.033 1.00 0.33 C ATOM 951 CG HIS B 15 139.658 -0.184 -7.586 1.00 0.47 C ATOM 952 ND1 HIS B 15 138.989 0.798 -6.888 1.00 0.85 N ATOM 953 CD2 HIS B 15 139.052 -0.266 -8.789 1.00 0.74 C ATOM 954 CE1 HIS B 15 138.022 1.288 -7.641 1.00 0.89 C ATOM 955 NE2 HIS B 15 138.039 0.660 -8.802 1.00 0.76 N ATOM 0 H HIS B 15 142.135 -0.284 -9.044 1.00 0.24 H new ATOM 0 HA HIS B 15 141.847 0.932 -6.656 1.00 0.27 H new ATOM 0 HB2 HIS B 15 141.016 -1.806 -7.654 1.00 0.33 H new ATOM 0 HB3 HIS B 15 140.577 -1.295 -6.036 1.00 0.33 H new ATOM 0 HD1 HIS B 15 139.207 1.099 -5.938 1.00 0.85 H new ATOM 0 HD2 HIS B 15 139.316 -0.937 -9.593 1.00 0.74 H new ATOM 0 HE1 HIS B 15 137.334 2.070 -7.356 1.00 0.89 H new ATOM 964 N LYS B 16 143.577 -1.862 -6.137 1.00 0.21 N ATOM 965 CA LYS B 16 144.481 -2.497 -5.175 1.00 0.27 C ATOM 966 C LYS B 16 145.781 -1.709 -5.027 1.00 0.36 C ATOM 967 O LYS B 16 146.287 -1.550 -3.919 1.00 0.69 O ATOM 968 CB LYS B 16 144.800 -3.935 -5.601 1.00 0.35 C ATOM 969 CG LYS B 16 143.569 -4.780 -5.902 1.00 0.46 C ATOM 970 CD LYS B 16 143.662 -5.433 -7.274 1.00 0.49 C ATOM 971 CE LYS B 16 143.502 -6.944 -7.190 1.00 0.53 C ATOM 972 NZ LYS B 16 144.780 -7.657 -7.471 1.00 0.61 N ATOM 0 H LYS B 16 143.410 -2.406 -6.983 1.00 0.21 H new ATOM 0 HA LYS B 16 143.972 -2.510 -4.211 1.00 0.27 H new ATOM 0 HB2 LYS B 16 145.435 -3.908 -6.487 1.00 0.35 H new ATOM 0 HB3 LYS B 16 145.375 -4.418 -4.811 1.00 0.35 H new ATOM 0 HG2 LYS B 16 143.459 -5.550 -5.138 1.00 0.46 H new ATOM 0 HG3 LYS B 16 142.677 -4.155 -5.855 1.00 0.46 H new ATOM 0 HD2 LYS B 16 142.892 -5.021 -7.926 1.00 0.49 H new ATOM 0 HD3 LYS B 16 144.624 -5.194 -7.727 1.00 0.49 H new ATOM 0 HE2 LYS B 16 143.146 -7.216 -6.196 1.00 0.53 H new ATOM 0 HE3 LYS B 16 142.742 -7.268 -7.901 1.00 0.53 H new ATOM 0 HZ1 LYS B 16 144.627 -8.683 -7.403 1.00 0.61 H new ATOM 0 HZ2 LYS B 16 145.108 -7.418 -8.429 1.00 0.61 H new ATOM 0 HZ3 LYS B 16 145.499 -7.368 -6.777 1.00 0.61 H new ATOM 986 N GLU B 17 146.317 -1.221 -6.150 1.00 0.30 N ATOM 987 CA GLU B 17 147.560 -0.446 -6.139 1.00 0.38 C ATOM 988 C GLU B 17 147.468 0.719 -5.152 1.00 0.32 C ATOM 989 O GLU B 17 148.411 0.985 -4.405 1.00 0.40 O ATOM 990 CB GLU B 17 147.872 0.081 -7.542 1.00 0.51 C ATOM 991 CG GLU B 17 149.334 0.445 -7.748 1.00 0.80 C ATOM 992 CD GLU B 17 149.621 0.932 -9.155 1.00 1.10 C ATOM 993 OE1 GLU B 17 149.832 0.082 -10.046 1.00 1.47 O ATOM 994 OE2 GLU B 17 149.631 2.163 -9.368 1.00 1.49 O ATOM 0 H GLU B 17 145.910 -1.349 -7.076 1.00 0.30 H new ATOM 0 HA GLU B 17 148.367 -1.106 -5.820 1.00 0.38 H new ATOM 0 HB2 GLU B 17 147.588 -0.674 -8.275 1.00 0.51 H new ATOM 0 HB3 GLU B 17 147.257 0.960 -7.735 1.00 0.51 H new ATOM 0 HG2 GLU B 17 149.616 1.220 -7.035 1.00 0.80 H new ATOM 0 HG3 GLU B 17 149.955 -0.425 -7.535 1.00 0.80 H new ATOM 1001 N LEU B 18 146.320 1.401 -5.151 1.00 0.32 N ATOM 1002 CA LEU B 18 146.091 2.530 -4.250 1.00 0.34 C ATOM 1003 C LEU B 18 145.937 2.060 -2.801 1.00 0.35 C ATOM 1004 O LEU B 18 146.245 2.803 -1.871 1.00 0.66 O ATOM 1005 CB LEU B 18 144.846 3.309 -4.680 1.00 0.51 C ATOM 1006 CG LEU B 18 145.081 4.353 -5.776 1.00 0.64 C ATOM 1007 CD1 LEU B 18 143.840 4.510 -6.643 1.00 0.81 C ATOM 1008 CD2 LEU B 18 145.480 5.688 -5.162 1.00 0.75 C ATOM 0 H LEU B 18 145.534 1.189 -5.766 1.00 0.32 H new ATOM 0 HA LEU B 18 146.961 3.184 -4.307 1.00 0.34 H new ATOM 0 HB2 LEU B 18 144.095 2.600 -5.030 1.00 0.51 H new ATOM 0 HB3 LEU B 18 144.429 3.810 -3.806 1.00 0.51 H new ATOM 0 HG LEU B 18 145.898 4.008 -6.410 1.00 0.64 H new ATOM 0 HD11 LEU B 18 144.028 5.256 -7.415 1.00 0.81 H new ATOM 0 HD12 LEU B 18 143.600 3.555 -7.111 1.00 0.81 H new ATOM 0 HD13 LEU B 18 143.002 4.831 -6.024 1.00 0.81 H new ATOM 0 HD21 LEU B 18 145.643 6.419 -5.954 1.00 0.75 H new ATOM 0 HD22 LEU B 18 144.685 6.038 -4.504 1.00 0.75 H new ATOM 0 HD23 LEU B 18 146.398 5.564 -4.588 1.00 0.75 H new ATOM 1020 N LEU B 19 145.471 0.820 -2.619 1.00 0.45 N ATOM 1021 CA LEU B 19 145.289 0.247 -1.285 1.00 0.47 C ATOM 1022 C LEU B 19 146.611 -0.297 -0.734 1.00 0.33 C ATOM 1023 O LEU B 19 146.855 -0.243 0.473 1.00 0.45 O ATOM 1024 CB LEU B 19 144.241 -0.870 -1.327 1.00 0.63 C ATOM 1025 CG LEU B 19 142.808 -0.426 -1.020 1.00 0.81 C ATOM 1026 CD1 LEU B 19 141.810 -1.218 -1.854 1.00 0.95 C ATOM 1027 CD2 LEU B 19 142.510 -0.579 0.465 1.00 0.96 C ATOM 0 H LEU B 19 145.213 0.194 -3.382 1.00 0.45 H new ATOM 0 HA LEU B 19 144.942 1.039 -0.622 1.00 0.47 H new ATOM 0 HB2 LEU B 19 144.259 -1.328 -2.316 1.00 0.63 H new ATOM 0 HB3 LEU B 19 144.527 -1.642 -0.613 1.00 0.63 H new ATOM 0 HG LEU B 19 142.710 0.627 -1.283 1.00 0.81 H new ATOM 0 HD11 LEU B 19 140.798 -0.887 -1.621 1.00 0.95 H new ATOM 0 HD12 LEU B 19 142.010 -1.055 -2.913 1.00 0.95 H new ATOM 0 HD13 LEU B 19 141.907 -2.279 -1.626 1.00 0.95 H new ATOM 0 HD21 LEU B 19 141.488 -0.259 0.666 1.00 0.96 H new ATOM 0 HD22 LEU B 19 142.627 -1.624 0.754 1.00 0.96 H new ATOM 0 HD23 LEU B 19 143.202 0.036 1.040 1.00 0.96 H new ATOM 1039 N ARG B 20 147.463 -0.805 -1.629 1.00 0.35 N ATOM 1040 CA ARG B 20 148.765 -1.341 -1.236 1.00 0.49 C ATOM 1041 C ARG B 20 149.688 -0.203 -0.814 1.00 0.40 C ATOM 1042 O ARG B 20 150.151 -0.162 0.327 1.00 0.49 O ATOM 1043 CB ARG B 20 149.394 -2.139 -2.385 1.00 0.76 C ATOM 1044 CG ARG B 20 149.157 -3.638 -2.286 1.00 0.85 C ATOM 1045 CD ARG B 20 150.014 -4.408 -3.281 1.00 0.96 C ATOM 1046 NE ARG B 20 150.993 -5.270 -2.615 1.00 1.06 N ATOM 1047 CZ ARG B 20 150.713 -6.477 -2.113 1.00 1.13 C ATOM 1048 NH1 ARG B 20 149.481 -6.975 -2.190 1.00 1.68 N ATOM 1049 NH2 ARG B 20 151.672 -7.190 -1.531 1.00 1.59 N ATOM 0 H ARG B 20 147.273 -0.855 -2.630 1.00 0.35 H new ATOM 0 HA ARG B 20 148.623 -2.016 -0.392 1.00 0.49 H new ATOM 0 HB2 ARG B 20 148.991 -1.777 -3.331 1.00 0.76 H new ATOM 0 HB3 ARG B 20 150.467 -1.950 -2.403 1.00 0.76 H new ATOM 0 HG2 ARG B 20 149.381 -3.976 -1.274 1.00 0.85 H new ATOM 0 HG3 ARG B 20 148.104 -3.853 -2.469 1.00 0.85 H new ATOM 0 HD2 ARG B 20 149.371 -5.015 -3.918 1.00 0.96 H new ATOM 0 HD3 ARG B 20 150.534 -3.705 -3.931 1.00 0.96 H new ATOM 0 HE ARG B 20 151.950 -4.927 -2.529 1.00 1.06 H new ATOM 0 HH11 ARG B 20 148.739 -6.435 -2.635 1.00 1.68 H new ATOM 0 HH12 ARG B 20 149.279 -7.897 -1.804 1.00 1.68 H new ATOM 0 HH21 ARG B 20 152.619 -6.816 -1.468 1.00 1.59 H new ATOM 0 HH22 ARG B 20 151.461 -8.111 -1.147 1.00 1.59 H new ATOM 1063 N ARG B 21 149.943 0.721 -1.745 1.00 0.35 N ATOM 1064 CA ARG B 21 150.803 1.874 -1.479 1.00 0.35 C ATOM 1065 C ARG B 21 150.375 2.587 -0.195 1.00 0.34 C ATOM 1066 O ARG B 21 151.214 2.931 0.635 1.00 0.47 O ATOM 1067 CB ARG B 21 150.773 2.851 -2.657 1.00 0.45 C ATOM 1068 CG ARG B 21 152.054 3.655 -2.810 1.00 0.70 C ATOM 1069 CD ARG B 21 151.882 4.797 -3.800 1.00 0.98 C ATOM 1070 NE ARG B 21 152.466 6.046 -3.308 1.00 0.97 N ATOM 1071 CZ ARG B 21 152.652 7.133 -4.061 1.00 1.25 C ATOM 1072 NH1 ARG B 21 152.304 7.133 -5.346 1.00 2.12 N ATOM 1073 NH2 ARG B 21 153.188 8.225 -3.527 1.00 1.53 N ATOM 0 H ARG B 21 149.564 0.691 -2.692 1.00 0.35 H new ATOM 0 HA ARG B 21 151.823 1.511 -1.350 1.00 0.35 H new ATOM 0 HB2 ARG B 21 150.591 2.294 -3.576 1.00 0.45 H new ATOM 0 HB3 ARG B 21 149.936 3.537 -2.529 1.00 0.45 H new ATOM 0 HG2 ARG B 21 152.352 4.055 -1.841 1.00 0.70 H new ATOM 0 HG3 ARG B 21 152.858 3.000 -3.145 1.00 0.70 H new ATOM 0 HD2 ARG B 21 152.349 4.528 -4.748 1.00 0.98 H new ATOM 0 HD3 ARG B 21 150.821 4.947 -3.999 1.00 0.98 H new ATOM 0 HE ARG B 21 152.748 6.089 -2.329 1.00 0.97 H new ATOM 0 HH11 ARG B 21 151.892 6.298 -5.763 1.00 2.12 H new ATOM 0 HH12 ARG B 21 152.450 7.968 -5.914 1.00 2.12 H new ATOM 0 HH21 ARG B 21 153.457 8.232 -2.543 1.00 1.53 H new ATOM 0 HH22 ARG B 21 153.331 9.056 -4.101 1.00 1.53 H new ATOM 1087 N LYS B 22 149.062 2.806 -0.043 1.00 0.30 N ATOM 1088 CA LYS B 22 148.513 3.478 1.140 1.00 0.36 C ATOM 1089 C LYS B 22 149.065 2.883 2.437 1.00 0.31 C ATOM 1090 O LYS B 22 149.359 3.616 3.383 1.00 0.36 O ATOM 1091 CB LYS B 22 146.984 3.385 1.144 1.00 0.47 C ATOM 1092 CG LYS B 22 146.302 4.565 1.818 1.00 0.69 C ATOM 1093 CD LYS B 22 144.919 4.818 1.235 1.00 0.86 C ATOM 1094 CE LYS B 22 143.843 4.049 1.988 1.00 0.70 C ATOM 1095 NZ LYS B 22 143.564 4.640 3.327 1.00 0.70 N ATOM 0 H LYS B 22 148.359 2.526 -0.727 1.00 0.30 H new ATOM 0 HA LYS B 22 148.816 4.524 1.089 1.00 0.36 H new ATOM 0 HB2 LYS B 22 146.631 3.311 0.116 1.00 0.47 H new ATOM 0 HB3 LYS B 22 146.686 2.467 1.650 1.00 0.47 H new ATOM 0 HG2 LYS B 22 146.218 4.375 2.888 1.00 0.69 H new ATOM 0 HG3 LYS B 22 146.916 5.458 1.700 1.00 0.69 H new ATOM 0 HD2 LYS B 22 144.698 5.885 1.272 1.00 0.86 H new ATOM 0 HD3 LYS B 22 144.908 4.526 0.185 1.00 0.86 H new ATOM 0 HE2 LYS B 22 142.926 4.039 1.399 1.00 0.70 H new ATOM 0 HE3 LYS B 22 144.156 3.012 2.108 1.00 0.70 H new ATOM 0 HZ1 LYS B 22 142.670 4.257 3.696 1.00 0.70 H new ATOM 0 HZ2 LYS B 22 144.338 4.402 3.980 1.00 0.70 H new ATOM 0 HZ3 LYS B 22 143.489 5.674 3.241 1.00 0.70 H new ATOM 1109 N ASP B 23 149.221 1.556 2.473 1.00 0.32 N ATOM 1110 CA ASP B 23 149.755 0.878 3.651 1.00 0.32 C ATOM 1111 C ASP B 23 151.275 1.010 3.703 1.00 0.30 C ATOM 1112 O ASP B 23 151.852 1.209 4.771 1.00 0.37 O ATOM 1113 CB ASP B 23 149.356 -0.601 3.645 1.00 0.36 C ATOM 1114 CG ASP B 23 148.566 -0.991 4.880 1.00 0.75 C ATOM 1115 OD1 ASP B 23 149.189 -1.203 5.942 1.00 1.11 O ATOM 1116 OD2 ASP B 23 147.324 -1.082 4.785 1.00 1.15 O ATOM 0 H ASP B 23 148.985 0.934 1.700 1.00 0.32 H new ATOM 0 HA ASP B 23 149.333 1.351 4.538 1.00 0.32 H new ATOM 0 HB2 ASP B 23 148.762 -0.811 2.756 1.00 0.36 H new ATOM 0 HB3 ASP B 23 150.253 -1.217 3.581 1.00 0.36 H new ATOM 1121 N THR B 24 151.916 0.908 2.537 1.00 0.28 N ATOM 1122 CA THR B 24 153.370 1.029 2.439 1.00 0.29 C ATOM 1123 C THR B 24 153.836 2.431 2.854 1.00 0.27 C ATOM 1124 O THR B 24 154.960 2.601 3.326 1.00 0.32 O ATOM 1125 CB THR B 24 153.834 0.722 1.010 1.00 0.32 C ATOM 1126 OG1 THR B 24 153.324 -0.526 0.571 1.00 0.54 O ATOM 1127 CG2 THR B 24 155.341 0.681 0.859 1.00 0.55 C ATOM 0 H THR B 24 151.449 0.741 1.646 1.00 0.28 H new ATOM 0 HA THR B 24 153.815 0.305 3.121 1.00 0.29 H new ATOM 0 HB THR B 24 153.449 1.542 0.404 1.00 0.32 H new ATOM 0 HG1 THR B 24 152.372 -0.434 0.359 1.00 0.54 H new ATOM 0 HG21 THR B 24 155.597 0.459 -0.177 1.00 0.55 H new ATOM 0 HG22 THR B 24 155.761 1.648 1.137 1.00 0.55 H new ATOM 0 HG23 THR B 24 155.751 -0.093 1.508 1.00 0.55 H new ATOM 1135 N HIS B 25 152.959 3.427 2.684 1.00 0.26 N ATOM 1136 CA HIS B 25 153.276 4.807 3.050 1.00 0.29 C ATOM 1137 C HIS B 25 153.273 4.972 4.567 1.00 0.31 C ATOM 1138 O HIS B 25 154.212 5.525 5.136 1.00 0.41 O ATOM 1139 CB HIS B 25 152.280 5.779 2.407 1.00 0.34 C ATOM 1140 CG HIS B 25 152.858 7.128 2.098 1.00 0.34 C ATOM 1141 ND1 HIS B 25 154.149 7.494 2.422 1.00 0.86 N ATOM 1142 CD2 HIS B 25 152.309 8.205 1.488 1.00 0.94 C ATOM 1143 CE1 HIS B 25 154.367 8.734 2.025 1.00 0.72 C ATOM 1144 NE2 HIS B 25 153.266 9.188 1.455 1.00 0.74 N ATOM 0 H HIS B 25 152.025 3.300 2.295 1.00 0.26 H new ATOM 0 HA HIS B 25 154.274 5.038 2.677 1.00 0.29 H new ATOM 0 HB2 HIS B 25 151.901 5.338 1.485 1.00 0.34 H new ATOM 0 HB3 HIS B 25 151.428 5.904 3.075 1.00 0.34 H new ATOM 0 HD2 HIS B 25 151.304 8.277 1.099 1.00 0.94 H new ATOM 0 HE1 HIS B 25 155.289 9.283 2.146 1.00 0.72 H new ATOM 0 HE2 HIS B 25 153.146 10.119 1.055 1.00 0.74 H new ATOM 1153 N ILE B 26 152.228 4.463 5.223 1.00 0.29 N ATOM 1154 CA ILE B 26 152.139 4.534 6.681 1.00 0.35 C ATOM 1155 C ILE B 26 153.206 3.635 7.318 1.00 0.35 C ATOM 1156 O ILE B 26 153.619 3.855 8.457 1.00 0.47 O ATOM 1157 CB ILE B 26 150.740 4.125 7.201 1.00 0.41 C ATOM 1158 CG1 ILE B 26 150.407 2.684 6.799 1.00 0.40 C ATOM 1159 CG2 ILE B 26 149.680 5.085 6.677 1.00 0.54 C ATOM 1160 CD1 ILE B 26 149.317 2.055 7.641 1.00 0.68 C ATOM 0 H ILE B 26 151.438 4.001 4.772 1.00 0.29 H new ATOM 0 HA ILE B 26 152.309 5.573 6.965 1.00 0.35 H new ATOM 0 HB ILE B 26 150.751 4.178 8.290 1.00 0.41 H new ATOM 0 HG12 ILE B 26 150.100 2.669 5.753 1.00 0.40 H new ATOM 0 HG13 ILE B 26 151.309 2.077 6.875 1.00 0.40 H new ATOM 0 HG21 ILE B 26 148.701 4.785 7.051 1.00 0.54 H new ATOM 0 HG22 ILE B 26 149.904 6.096 7.017 1.00 0.54 H new ATOM 0 HG23 ILE B 26 149.675 5.062 5.587 1.00 0.54 H new ATOM 0 HD11 ILE B 26 149.135 1.036 7.299 1.00 0.68 H new ATOM 0 HD12 ILE B 26 149.629 2.037 8.685 1.00 0.68 H new ATOM 0 HD13 ILE B 26 148.401 2.638 7.546 1.00 0.68 H new ATOM 1172 N ARG B 27 153.655 2.633 6.551 1.00 0.31 N ATOM 1173 CA ARG B 27 154.683 1.702 7.004 1.00 0.37 C ATOM 1174 C ARG B 27 156.072 2.332 6.879 1.00 0.34 C ATOM 1175 O ARG B 27 156.894 2.218 7.790 1.00 0.39 O ATOM 1176 CB ARG B 27 154.621 0.403 6.195 1.00 0.46 C ATOM 1177 CG ARG B 27 155.197 -0.799 6.928 1.00 0.53 C ATOM 1178 CD ARG B 27 156.283 -1.486 6.111 1.00 0.80 C ATOM 1179 NE ARG B 27 157.482 -1.755 6.906 1.00 0.90 N ATOM 1180 CZ ARG B 27 158.671 -2.071 6.383 1.00 0.92 C ATOM 1181 NH1 ARG B 27 158.827 -2.164 5.064 1.00 1.21 N ATOM 1182 NH2 ARG B 27 159.708 -2.296 7.184 1.00 1.67 N ATOM 0 H ARG B 27 153.316 2.450 5.607 1.00 0.31 H new ATOM 0 HA ARG B 27 154.498 1.472 8.053 1.00 0.37 H new ATOM 0 HB2 ARG B 27 153.583 0.196 5.935 1.00 0.46 H new ATOM 0 HB3 ARG B 27 155.163 0.541 5.259 1.00 0.46 H new ATOM 0 HG2 ARG B 27 155.609 -0.479 7.885 1.00 0.53 H new ATOM 0 HG3 ARG B 27 154.400 -1.510 7.145 1.00 0.53 H new ATOM 0 HD2 ARG B 27 155.897 -2.423 5.710 1.00 0.80 H new ATOM 0 HD3 ARG B 27 156.546 -0.859 5.259 1.00 0.80 H new ATOM 0 HE ARG B 27 157.406 -1.698 7.922 1.00 0.90 H new ATOM 0 HH11 ARG B 27 158.036 -1.994 4.444 1.00 1.21 H new ATOM 0 HH12 ARG B 27 159.738 -2.406 4.674 1.00 1.21 H new ATOM 0 HH21 ARG B 27 159.595 -2.227 8.195 1.00 1.67 H new ATOM 0 HH22 ARG B 27 160.616 -2.537 6.787 1.00 1.67 H new ATOM 1196 N GLU B 28 156.326 3.001 5.748 1.00 0.33 N ATOM 1197 CA GLU B 28 157.616 3.650 5.519 1.00 0.36 C ATOM 1198 C GLU B 28 157.759 4.901 6.388 1.00 0.35 C ATOM 1199 O GLU B 28 158.818 5.139 6.969 1.00 0.44 O ATOM 1200 CB GLU B 28 157.813 3.991 4.032 1.00 0.47 C ATOM 1201 CG GLU B 28 156.868 5.057 3.492 1.00 0.78 C ATOM 1202 CD GLU B 28 157.458 6.456 3.545 1.00 1.17 C ATOM 1203 OE1 GLU B 28 158.599 6.643 3.071 1.00 1.62 O ATOM 1204 OE2 GLU B 28 156.775 7.368 4.057 1.00 1.79 O ATOM 0 H GLU B 28 155.658 3.105 4.984 1.00 0.33 H new ATOM 0 HA GLU B 28 158.397 2.946 5.805 1.00 0.36 H new ATOM 0 HB2 GLU B 28 158.840 4.326 3.883 1.00 0.47 H new ATOM 0 HB3 GLU B 28 157.686 3.081 3.445 1.00 0.47 H new ATOM 0 HG2 GLU B 28 156.609 4.817 2.461 1.00 0.78 H new ATOM 0 HG3 GLU B 28 155.941 5.038 4.066 1.00 0.78 H new ATOM 1211 N LEU B 29 156.686 5.693 6.478 1.00 0.33 N ATOM 1212 CA LEU B 29 156.689 6.914 7.284 1.00 0.38 C ATOM 1213 C LEU B 29 156.839 6.599 8.774 1.00 0.42 C ATOM 1214 O LEU B 29 157.351 7.420 9.536 1.00 0.79 O ATOM 1215 CB LEU B 29 155.400 7.709 7.050 1.00 0.46 C ATOM 1216 CG LEU B 29 155.553 9.232 7.111 1.00 0.47 C ATOM 1217 CD1 LEU B 29 155.350 9.847 5.732 1.00 0.82 C ATOM 1218 CD2 LEU B 29 154.573 9.829 8.113 1.00 0.59 C ATOM 0 H LEU B 29 155.804 5.508 6.001 1.00 0.33 H new ATOM 0 HA LEU B 29 157.545 7.513 6.974 1.00 0.38 H new ATOM 0 HB2 LEU B 29 154.998 7.439 6.074 1.00 0.46 H new ATOM 0 HB3 LEU B 29 154.664 7.404 7.794 1.00 0.46 H new ATOM 0 HG LEU B 29 156.566 9.462 7.443 1.00 0.47 H new ATOM 0 HD11 LEU B 29 155.463 10.929 5.796 1.00 0.82 H new ATOM 0 HD12 LEU B 29 156.092 9.445 5.042 1.00 0.82 H new ATOM 0 HD13 LEU B 29 154.350 9.607 5.370 1.00 0.82 H new ATOM 0 HD21 LEU B 29 154.697 10.912 8.142 1.00 0.59 H new ATOM 0 HD22 LEU B 29 153.553 9.588 7.812 1.00 0.59 H new ATOM 0 HD23 LEU B 29 154.767 9.415 9.102 1.00 0.59 H new ATOM 1230 N GLU B 30 156.410 5.398 9.182 1.00 0.43 N ATOM 1231 CA GLU B 30 156.517 4.976 10.579 1.00 0.45 C ATOM 1232 C GLU B 30 157.982 4.817 10.991 1.00 0.44 C ATOM 1233 O GLU B 30 158.325 4.984 12.163 1.00 0.58 O ATOM 1234 CB GLU B 30 155.764 3.661 10.803 1.00 0.51 C ATOM 1235 CG GLU B 30 154.570 3.797 11.735 1.00 0.58 C ATOM 1236 CD GLU B 30 154.972 3.830 13.198 1.00 0.93 C ATOM 1237 OE1 GLU B 30 155.503 4.868 13.646 1.00 1.35 O ATOM 1238 OE2 GLU B 30 154.756 2.816 13.896 1.00 1.26 O ATOM 0 H GLU B 30 155.987 4.705 8.564 1.00 0.43 H new ATOM 0 HA GLU B 30 156.066 5.751 11.199 1.00 0.45 H new ATOM 0 HB2 GLU B 30 155.422 3.279 9.841 1.00 0.51 H new ATOM 0 HB3 GLU B 30 156.453 2.922 11.213 1.00 0.51 H new ATOM 0 HG2 GLU B 30 154.026 4.709 11.491 1.00 0.58 H new ATOM 0 HG3 GLU B 30 153.887 2.964 11.568 1.00 0.58 H new ATOM 1245 N ASP B 31 158.844 4.518 10.014 1.00 0.41 N ATOM 1246 CA ASP B 31 160.274 4.363 10.267 1.00 0.55 C ATOM 1247 C ASP B 31 160.903 5.722 10.565 1.00 0.57 C ATOM 1248 O ASP B 31 161.706 5.856 11.490 1.00 0.76 O ATOM 1249 CB ASP B 31 160.966 3.715 9.063 1.00 0.69 C ATOM 1250 CG ASP B 31 161.920 2.610 9.470 1.00 1.28 C ATOM 1251 OD1 ASP B 31 163.076 2.924 9.825 1.00 1.66 O ATOM 1252 OD2 ASP B 31 161.511 1.430 9.435 1.00 1.74 O ATOM 0 H ASP B 31 158.573 4.379 9.041 1.00 0.41 H new ATOM 0 HA ASP B 31 160.405 3.713 11.132 1.00 0.55 H new ATOM 0 HB2 ASP B 31 160.212 3.310 8.389 1.00 0.69 H new ATOM 0 HB3 ASP B 31 161.513 4.477 8.508 1.00 0.69 H new ATOM 1257 N TYR B 32 160.513 6.731 9.781 1.00 0.49 N ATOM 1258 CA TYR B 32 161.015 8.092 9.961 1.00 0.56 C ATOM 1259 C TYR B 32 160.525 8.673 11.287 1.00 0.56 C ATOM 1260 O TYR B 32 161.260 9.386 11.972 1.00 0.67 O ATOM 1261 CB TYR B 32 160.562 8.987 8.803 1.00 0.60 C ATOM 1262 CG TYR B 32 161.238 8.674 7.486 1.00 0.69 C ATOM 1263 CD1 TYR B 32 162.542 9.084 7.239 1.00 1.15 C ATOM 1264 CD2 TYR B 32 160.571 7.972 6.490 1.00 0.96 C ATOM 1265 CE1 TYR B 32 163.163 8.803 6.037 1.00 1.37 C ATOM 1266 CE2 TYR B 32 161.185 7.686 5.285 1.00 1.17 C ATOM 1267 CZ TYR B 32 162.480 8.104 5.064 1.00 1.21 C ATOM 1268 OH TYR B 32 163.095 7.822 3.865 1.00 1.53 O ATOM 0 H TYR B 32 159.849 6.628 9.014 1.00 0.49 H new ATOM 0 HA TYR B 32 162.104 8.054 9.974 1.00 0.56 H new ATOM 0 HB2 TYR B 32 159.484 8.887 8.680 1.00 0.60 H new ATOM 0 HB3 TYR B 32 160.758 10.027 9.063 1.00 0.60 H new ATOM 0 HD1 TYR B 32 163.079 9.632 7.999 1.00 1.15 H new ATOM 0 HD2 TYR B 32 159.556 7.644 6.660 1.00 0.96 H new ATOM 0 HE1 TYR B 32 164.177 9.129 5.861 1.00 1.37 H new ATOM 0 HE2 TYR B 32 160.653 7.138 4.521 1.00 1.17 H new ATOM 0 HH TYR B 32 162.478 7.323 3.290 1.00 1.53 H new ATOM 1278 N ILE B 33 159.277 8.354 11.643 1.00 0.54 N ATOM 1279 CA ILE B 33 158.680 8.833 12.888 1.00 0.64 C ATOM 1280 C ILE B 33 159.338 8.183 14.108 1.00 0.58 C ATOM 1281 O ILE B 33 159.399 8.791 15.179 1.00 0.78 O ATOM 1282 CB ILE B 33 157.157 8.561 12.925 1.00 0.77 C ATOM 1283 CG1 ILE B 33 156.448 9.329 11.806 1.00 0.84 C ATOM 1284 CG2 ILE B 33 156.572 8.941 14.281 1.00 0.98 C ATOM 1285 CD1 ILE B 33 155.114 8.731 11.410 1.00 0.87 C ATOM 0 H ILE B 33 158.661 7.764 11.083 1.00 0.54 H new ATOM 0 HA ILE B 33 158.849 9.909 12.924 1.00 0.64 H new ATOM 0 HB ILE B 33 156.999 7.494 12.770 1.00 0.77 H new ATOM 0 HG12 ILE B 33 156.294 10.360 12.125 1.00 0.84 H new ATOM 0 HG13 ILE B 33 157.097 9.360 10.931 1.00 0.84 H new ATOM 0 HG21 ILE B 33 155.500 8.741 14.284 1.00 0.98 H new ATOM 0 HG22 ILE B 33 157.053 8.353 15.062 1.00 0.98 H new ATOM 0 HG23 ILE B 33 156.744 10.001 14.467 1.00 0.98 H new ATOM 0 HD11 ILE B 33 154.670 9.327 10.613 1.00 0.87 H new ATOM 0 HD12 ILE B 33 155.263 7.710 11.059 1.00 0.87 H new ATOM 0 HD13 ILE B 33 154.448 8.725 12.273 1.00 0.87 H new ATOM 1297 N ASP B 34 159.827 6.948 13.946 1.00 0.46 N ATOM 1298 CA ASP B 34 160.473 6.223 15.040 1.00 0.50 C ATOM 1299 C ASP B 34 161.689 6.977 15.586 1.00 0.40 C ATOM 1300 O ASP B 34 161.994 6.868 16.765 1.00 0.45 O ATOM 1301 CB ASP B 34 160.890 4.823 14.581 1.00 0.69 C ATOM 1302 CG ASP B 34 160.050 3.735 15.222 1.00 0.82 C ATOM 1303 OD1 ASP B 34 160.387 3.309 16.348 1.00 1.34 O ATOM 1304 OD2 ASP B 34 159.052 3.311 14.600 1.00 1.46 O ATOM 0 H ASP B 34 159.786 6.432 13.067 1.00 0.46 H new ATOM 0 HA ASP B 34 159.744 6.137 15.846 1.00 0.50 H new ATOM 0 HB2 ASP B 34 160.801 4.757 13.497 1.00 0.69 H new ATOM 0 HB3 ASP B 34 161.940 4.660 14.825 1.00 0.69 H new ATOM 1309 N ASN B 35 162.381 7.727 14.722 1.00 0.52 N ATOM 1310 CA ASN B 35 163.568 8.496 15.119 1.00 0.58 C ATOM 1311 C ASN B 35 163.387 9.144 16.495 1.00 0.49 C ATOM 1312 O ASN B 35 164.305 9.130 17.316 1.00 0.61 O ATOM 1313 CB ASN B 35 163.881 9.569 14.071 1.00 0.78 C ATOM 1314 CG ASN B 35 164.763 9.044 12.952 1.00 0.90 C ATOM 1315 OD1 ASN B 35 165.985 9.186 12.992 1.00 1.65 O ATOM 1316 ND2 ASN B 35 164.148 8.431 11.944 1.00 1.31 N ATOM 0 H ASN B 35 162.138 7.819 13.736 1.00 0.52 H new ATOM 0 HA ASN B 35 164.405 7.801 15.184 1.00 0.58 H new ATOM 0 HB2 ASN B 35 162.949 9.944 13.649 1.00 0.78 H new ATOM 0 HB3 ASN B 35 164.375 10.412 14.554 1.00 0.78 H new ATOM 0 HD21 ASN B 35 164.692 8.058 11.166 1.00 1.31 H new ATOM 0 HD22 ASN B 35 163.133 8.334 11.949 1.00 1.31 H new ATOM 1323 N LEU B 36 162.194 9.692 16.747 1.00 0.44 N ATOM 1324 CA LEU B 36 161.892 10.319 18.036 1.00 0.51 C ATOM 1325 C LEU B 36 161.968 9.278 19.153 1.00 0.47 C ATOM 1326 O LEU B 36 162.618 9.495 20.177 1.00 0.59 O ATOM 1327 CB LEU B 36 160.501 10.966 18.014 1.00 0.71 C ATOM 1328 CG LEU B 36 160.203 11.841 16.792 1.00 0.83 C ATOM 1329 CD1 LEU B 36 158.712 12.124 16.687 1.00 1.00 C ATOM 1330 CD2 LEU B 36 160.993 13.141 16.858 1.00 1.64 C ATOM 0 H LEU B 36 161.425 9.714 16.078 1.00 0.44 H new ATOM 0 HA LEU B 36 162.630 11.099 18.222 1.00 0.51 H new ATOM 0 HB2 LEU B 36 159.751 10.177 18.066 1.00 0.71 H new ATOM 0 HB3 LEU B 36 160.387 11.574 18.912 1.00 0.71 H new ATOM 0 HG LEU B 36 160.512 11.298 15.899 1.00 0.83 H new ATOM 0 HD11 LEU B 36 158.521 12.747 15.813 1.00 1.00 H new ATOM 0 HD12 LEU B 36 158.169 11.184 16.589 1.00 1.00 H new ATOM 0 HD13 LEU B 36 158.376 12.645 17.584 1.00 1.00 H new ATOM 0 HD21 LEU B 36 160.768 13.749 15.981 1.00 1.64 H new ATOM 0 HD22 LEU B 36 160.718 13.689 17.759 1.00 1.64 H new ATOM 0 HD23 LEU B 36 162.060 12.918 16.880 1.00 1.64 H new ATOM 1342 N LEU B 37 161.317 8.136 18.926 1.00 0.41 N ATOM 1343 CA LEU B 37 161.315 7.028 19.881 1.00 0.48 C ATOM 1344 C LEU B 37 162.016 5.813 19.263 1.00 0.41 C ATOM 1345 O LEU B 37 161.405 4.761 19.061 1.00 0.54 O ATOM 1346 CB LEU B 37 159.877 6.671 20.281 1.00 0.65 C ATOM 1347 CG LEU B 37 158.921 6.391 19.115 1.00 0.62 C ATOM 1348 CD1 LEU B 37 158.022 5.206 19.433 1.00 0.80 C ATOM 1349 CD2 LEU B 37 158.091 7.627 18.796 1.00 0.69 C ATOM 0 H LEU B 37 160.779 7.954 18.079 1.00 0.41 H new ATOM 0 HA LEU B 37 161.855 7.330 20.779 1.00 0.48 H new ATOM 0 HB2 LEU B 37 159.904 5.792 20.925 1.00 0.65 H new ATOM 0 HB3 LEU B 37 159.469 7.489 20.875 1.00 0.65 H new ATOM 0 HG LEU B 37 159.515 6.142 18.235 1.00 0.62 H new ATOM 0 HD11 LEU B 37 157.351 5.023 18.594 1.00 0.80 H new ATOM 0 HD12 LEU B 37 158.634 4.321 19.608 1.00 0.80 H new ATOM 0 HD13 LEU B 37 157.436 5.423 20.326 1.00 0.80 H new ATOM 0 HD21 LEU B 37 157.419 7.409 17.966 1.00 0.69 H new ATOM 0 HD22 LEU B 37 157.507 7.909 19.672 1.00 0.69 H new ATOM 0 HD23 LEU B 37 158.753 8.449 18.521 1.00 0.69 H new ATOM 1361 N VAL B 38 163.301 5.986 18.937 1.00 0.36 N ATOM 1362 CA VAL B 38 164.094 4.942 18.294 1.00 0.49 C ATOM 1363 C VAL B 38 163.918 3.600 18.993 1.00 0.67 C ATOM 1364 O VAL B 38 164.286 3.436 20.156 1.00 1.35 O ATOM 1365 CB VAL B 38 165.596 5.312 18.266 1.00 0.64 C ATOM 1366 CG1 VAL B 38 166.434 4.140 17.776 1.00 1.31 C ATOM 1367 CG2 VAL B 38 165.835 6.541 17.396 1.00 0.89 C ATOM 0 H VAL B 38 163.815 6.850 19.112 1.00 0.36 H new ATOM 0 HA VAL B 38 163.731 4.857 17.270 1.00 0.49 H new ATOM 0 HB VAL B 38 165.903 5.549 19.285 1.00 0.64 H new ATOM 0 HG11 VAL B 38 167.486 4.424 17.765 1.00 1.31 H new ATOM 0 HG12 VAL B 38 166.295 3.289 18.443 1.00 1.31 H new ATOM 0 HG13 VAL B 38 166.122 3.866 16.768 1.00 1.31 H new ATOM 0 HG21 VAL B 38 166.898 6.782 17.391 1.00 0.89 H new ATOM 0 HG22 VAL B 38 165.505 6.336 16.378 1.00 0.89 H new ATOM 0 HG23 VAL B 38 165.273 7.385 17.796 1.00 0.89 H new ATOM 1377 N ARG B 39 163.262 2.687 18.269 1.00 0.54 N ATOM 1378 CA ARG B 39 162.904 1.364 18.780 1.00 0.62 C ATOM 1379 C ARG B 39 164.064 0.686 19.512 1.00 0.51 C ATOM 1380 O ARG B 39 164.831 -0.091 18.941 1.00 0.63 O ATOM 1381 CB ARG B 39 162.417 0.479 17.620 1.00 0.93 C ATOM 1382 CG ARG B 39 162.250 -0.996 17.977 1.00 1.15 C ATOM 1383 CD ARG B 39 163.259 -1.873 17.241 1.00 1.41 C ATOM 1384 NE ARG B 39 162.609 -2.883 16.402 1.00 1.58 N ATOM 1385 CZ ARG B 39 163.262 -3.703 15.571 1.00 1.77 C ATOM 1386 NH1 ARG B 39 164.588 -3.649 15.465 1.00 2.06 N ATOM 1387 NH2 ARG B 39 162.583 -4.585 14.844 1.00 2.18 N ATOM 0 H ARG B 39 162.964 2.848 17.307 1.00 0.54 H new ATOM 0 HA ARG B 39 162.104 1.497 19.509 1.00 0.62 H new ATOM 0 HB2 ARG B 39 161.462 0.864 17.262 1.00 0.93 H new ATOM 0 HB3 ARG B 39 163.124 0.562 16.794 1.00 0.93 H new ATOM 0 HG2 ARG B 39 162.371 -1.126 19.052 1.00 1.15 H new ATOM 0 HG3 ARG B 39 161.239 -1.318 17.729 1.00 1.15 H new ATOM 0 HD2 ARG B 39 163.899 -1.245 16.621 1.00 1.41 H new ATOM 0 HD3 ARG B 39 163.905 -2.367 17.967 1.00 1.41 H new ATOM 0 HE ARG B 39 161.594 -2.966 16.455 1.00 1.58 H new ATOM 0 HH11 ARG B 39 165.117 -2.977 16.021 1.00 2.06 H new ATOM 0 HH12 ARG B 39 165.075 -4.279 14.828 1.00 2.06 H new ATOM 0 HH21 ARG B 39 161.567 -4.635 14.921 1.00 2.18 H new ATOM 0 HH22 ARG B 39 163.078 -5.212 14.209 1.00 2.18 H new ATOM 1401 N VAL B 40 164.147 0.999 20.806 1.00 0.43 N ATOM 1402 CA VAL B 40 165.160 0.445 21.700 1.00 0.56 C ATOM 1403 C VAL B 40 164.552 0.255 23.093 1.00 0.71 C ATOM 1404 O VAL B 40 165.008 0.844 24.077 1.00 1.15 O ATOM 1405 CB VAL B 40 166.408 1.355 21.790 1.00 0.60 C ATOM 1406 CG1 VAL B 40 167.444 0.768 22.741 1.00 1.04 C ATOM 1407 CG2 VAL B 40 167.009 1.573 20.411 1.00 0.65 C ATOM 0 H VAL B 40 163.508 1.649 21.264 1.00 0.43 H new ATOM 0 HA VAL B 40 165.483 -0.514 21.296 1.00 0.56 H new ATOM 0 HB VAL B 40 166.095 2.321 22.187 1.00 0.60 H new ATOM 0 HG11 VAL B 40 168.311 1.427 22.786 1.00 1.04 H new ATOM 0 HG12 VAL B 40 167.010 0.670 23.736 1.00 1.04 H new ATOM 0 HG13 VAL B 40 167.753 -0.214 22.382 1.00 1.04 H new ATOM 0 HG21 VAL B 40 167.886 2.215 20.494 1.00 0.65 H new ATOM 0 HG22 VAL B 40 167.301 0.613 19.986 1.00 0.65 H new ATOM 0 HG23 VAL B 40 166.271 2.047 19.764 1.00 0.65 H new ATOM 1417 N MET B 41 163.502 -0.563 23.158 1.00 0.60 N ATOM 1418 CA MET B 41 162.803 -0.831 24.414 1.00 0.74 C ATOM 1419 C MET B 41 163.360 -2.079 25.097 1.00 0.91 C ATOM 1420 O MET B 41 163.426 -3.139 24.438 1.00 0.91 O ATOM 1421 CB MET B 41 161.295 -0.993 24.164 1.00 0.73 C ATOM 1422 CG MET B 41 160.732 -0.029 23.127 1.00 0.74 C ATOM 1423 SD MET B 41 160.486 -0.804 21.517 1.00 0.86 S ATOM 1424 CE MET B 41 159.847 0.571 20.563 1.00 0.70 C ATOM 1425 OXT MET B 41 163.727 -1.985 26.288 1.00 1.13 O ATOM 0 H MET B 41 163.116 -1.053 22.351 1.00 0.60 H new ATOM 0 HA MET B 41 162.962 0.020 25.076 1.00 0.74 H new ATOM 0 HB2 MET B 41 161.099 -2.015 23.840 1.00 0.73 H new ATOM 0 HB3 MET B 41 160.764 -0.850 25.105 1.00 0.73 H new ATOM 0 HG2 MET B 41 159.781 0.367 23.484 1.00 0.74 H new ATOM 0 HG3 MET B 41 161.410 0.818 23.018 1.00 0.74 H new ATOM 0 HE1 MET B 41 160.089 0.427 19.510 1.00 0.70 H new ATOM 0 HE2 MET B 41 158.765 0.625 20.682 1.00 0.70 H new ATOM 0 HE3 MET B 41 160.298 1.499 20.915 1.00 0.70 H new