USER MOD reduce.3.24.130724 H: found=0, std=0, add=610, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 607 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -2.38 K(o=-2.3,f=-2.9) USER MOD Set 1.2: A 24 SER OG : rot 180:sc= 0.0368 USER MOD Set 2.1: A 8 SER OG : rot -132:sc= 1.17 USER MOD Set 2.2: A 16 ASN : amide:sc= -0.872 K(o=0.29,f=-7.8!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.0816 (180deg=0.0067) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ -120:sc= -0.587 (180deg=-3.72!) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 180:sc= -0.754 USER MOD Single : A 11 HIS : no HD1:sc= -0.252 K(o=-0.25,f=-0.89) USER MOD Single : A 13 ASN : amide:sc= -0.495 K(o=-0.5,f=-1.9!) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 165:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 133:sc= -0.193 (180deg=-1.12) USER MOD Single : A 32 ASN : amide:sc= -2.18! C(o=-2.2!,f=-15!) USER MOD Single : A 35 ASN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -12:sc= 0.489! USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.846 USER MOD Single : A 49 GLN : amide:sc= -0.0358 K(o=-0.036,f=-4.6!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.824 K(o=-0.82,f=-2.2!) USER MOD Single : A 69 MET CE :methyl -167:sc= -2.26 (180deg=-3.12) USER MOD Single : A 70 ASN : amide:sc= -0.306 K(o=-0.31,f=-1.5) USER MOD Single : A 73 SER OG : rot -170:sc= 0 USER MOD Single : A 77 ASN : amide:sc= -0.0518 X(o=-0.052,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.032 2.184 -0.928 1.00 4.52 N ATOM 2 CA MET A 1 2.119 0.943 -0.167 1.00 51.32 C ATOM 3 C MET A 1 3.090 -0.031 -0.826 1.00 22.34 C ATOM 4 O MET A 1 3.309 0.017 -2.036 1.00 45.12 O ATOM 5 CB MET A 1 0.737 0.299 -0.043 1.00 70.44 C ATOM 6 CG MET A 1 -0.029 0.735 1.195 1.00 4.51 C ATOM 7 SD MET A 1 -0.937 2.272 0.944 1.00 53.43 S ATOM 8 CE MET A 1 -2.588 1.645 0.646 1.00 33.20 C ATOM 0 H1 MET A 1 1.122 2.648 -0.732 1.00 4.52 H new ATOM 0 H2 MET A 1 2.810 2.816 -0.651 1.00 4.52 H new ATOM 0 H3 MET A 1 2.101 1.974 -1.944 1.00 4.52 H new ATOM 0 HA MET A 1 2.492 1.181 0.829 1.00 51.32 H new ATOM 0 HB2 MET A 1 0.150 0.545 -0.928 1.00 70.44 H new ATOM 0 HB3 MET A 1 0.851 -0.785 -0.027 1.00 70.44 H new ATOM 0 HG2 MET A 1 -0.727 -0.052 1.482 1.00 4.51 H new ATOM 0 HG3 MET A 1 0.668 0.860 2.023 1.00 4.51 H new ATOM 0 HE1 MET A 1 -3.268 2.479 0.473 1.00 33.20 H new ATOM 0 HE2 MET A 1 -2.578 0.997 -0.230 1.00 33.20 H new ATOM 0 HE3 MET A 1 -2.924 1.077 1.514 1.00 33.20 H new ATOM 18 N LYS A 2 3.670 -0.915 -0.021 1.00 65.43 N ATOM 19 CA LYS A 2 4.618 -1.902 -0.525 1.00 60.51 C ATOM 20 C LYS A 2 4.330 -3.281 0.060 1.00 22.33 C ATOM 21 O LYS A 2 4.759 -3.597 1.171 1.00 74.15 O ATOM 22 CB LYS A 2 6.051 -1.483 -0.188 1.00 53.35 C ATOM 23 CG LYS A 2 6.223 -1.002 1.242 1.00 44.21 C ATOM 24 CD LYS A 2 7.631 -0.486 1.491 1.00 71.23 C ATOM 25 CE LYS A 2 8.049 -0.684 2.940 1.00 52.22 C ATOM 26 NZ LYS A 2 9.334 0.003 3.245 1.00 1.40 N ATOM 0 H LYS A 2 3.500 -0.968 0.983 1.00 65.43 H new ATOM 0 HA LYS A 2 4.507 -1.955 -1.608 1.00 60.51 H new ATOM 0 HB2 LYS A 2 6.718 -2.328 -0.361 1.00 53.35 H new ATOM 0 HB3 LYS A 2 6.358 -0.689 -0.869 1.00 53.35 H new ATOM 0 HG2 LYS A 2 5.502 -0.211 1.450 1.00 44.21 H new ATOM 0 HG3 LYS A 2 6.007 -1.819 1.930 1.00 44.21 H new ATOM 0 HD2 LYS A 2 8.331 -1.004 0.835 1.00 71.23 H new ATOM 0 HD3 LYS A 2 7.682 0.573 1.238 1.00 71.23 H new ATOM 0 HE2 LYS A 2 7.268 -0.303 3.598 1.00 52.22 H new ATOM 0 HE3 LYS A 2 8.149 -1.750 3.147 1.00 52.22 H new ATOM 0 HZ1 LYS A 2 9.584 -0.156 4.242 1.00 1.40 H new ATOM 0 HZ2 LYS A 2 10.085 -0.378 2.634 1.00 1.40 H new ATOM 0 HZ3 LYS A 2 9.232 1.023 3.072 1.00 1.40 H new ATOM 40 N PHE A 3 3.603 -4.099 -0.694 1.00 25.32 N ATOM 41 CA PHE A 3 3.259 -5.445 -0.250 1.00 2.15 C ATOM 42 C PHE A 3 3.188 -6.406 -1.432 1.00 74.51 C ATOM 43 O PHE A 3 2.587 -6.097 -2.462 1.00 22.03 O ATOM 44 CB PHE A 3 1.922 -5.433 0.494 1.00 10.21 C ATOM 45 CG PHE A 3 0.731 -5.342 -0.416 1.00 73.22 C ATOM 46 CD1 PHE A 3 0.153 -6.488 -0.939 1.00 63.04 C ATOM 47 CD2 PHE A 3 0.188 -4.111 -0.748 1.00 72.51 C ATOM 48 CE1 PHE A 3 -0.942 -6.407 -1.778 1.00 34.22 C ATOM 49 CE2 PHE A 3 -0.908 -4.024 -1.586 1.00 32.52 C ATOM 50 CZ PHE A 3 -1.475 -5.174 -2.100 1.00 64.14 C ATOM 0 H PHE A 3 3.241 -3.853 -1.615 1.00 25.32 H new ATOM 0 HA PHE A 3 4.041 -5.788 0.428 1.00 2.15 H new ATOM 0 HB2 PHE A 3 1.842 -6.339 1.095 1.00 10.21 H new ATOM 0 HB3 PHE A 3 1.907 -4.590 1.184 1.00 10.21 H new ATOM 0 HD1 PHE A 3 0.563 -7.455 -0.688 1.00 63.04 H new ATOM 0 HD2 PHE A 3 0.626 -3.209 -0.347 1.00 72.51 H new ATOM 0 HE1 PHE A 3 -1.381 -7.307 -2.182 1.00 34.22 H new ATOM 0 HE2 PHE A 3 -1.320 -3.058 -1.838 1.00 32.52 H new ATOM 0 HZ PHE A 3 -2.333 -5.109 -2.752 1.00 64.14 H new ATOM 60 N ILE A 4 3.805 -7.573 -1.277 1.00 14.14 N ATOM 61 CA ILE A 4 3.811 -8.580 -2.331 1.00 13.25 C ATOM 62 C ILE A 4 3.651 -9.982 -1.752 1.00 40.23 C ATOM 63 O ILE A 4 3.957 -10.222 -0.584 1.00 73.52 O ATOM 64 CB ILE A 4 5.109 -8.522 -3.157 1.00 22.24 C ATOM 65 CG1 ILE A 4 5.402 -7.083 -3.587 1.00 62.50 C ATOM 66 CG2 ILE A 4 5.005 -9.433 -4.371 1.00 24.34 C ATOM 67 CD1 ILE A 4 4.431 -6.552 -4.618 1.00 45.40 C ATOM 0 H ILE A 4 4.307 -7.844 -0.432 1.00 14.14 H new ATOM 0 HA ILE A 4 2.966 -8.360 -2.983 1.00 13.25 H new ATOM 0 HB ILE A 4 5.934 -8.870 -2.535 1.00 22.24 H new ATOM 0 HG12 ILE A 4 5.377 -6.437 -2.709 1.00 62.50 H new ATOM 0 HG13 ILE A 4 6.413 -7.032 -3.991 1.00 62.50 H new ATOM 0 HG21 ILE A 4 5.930 -9.381 -4.945 1.00 24.34 H new ATOM 0 HG22 ILE A 4 4.839 -10.459 -4.043 1.00 24.34 H new ATOM 0 HG23 ILE A 4 4.172 -9.112 -4.996 1.00 24.34 H new ATOM 0 HD11 ILE A 4 4.699 -5.527 -4.876 1.00 45.40 H new ATOM 0 HD12 ILE A 4 4.473 -7.174 -5.512 1.00 45.40 H new ATOM 0 HD13 ILE A 4 3.420 -6.571 -4.210 1.00 45.40 H new ATOM 79 N LYS A 5 3.172 -10.905 -2.578 1.00 74.54 N ATOM 80 CA LYS A 5 2.974 -12.286 -2.152 1.00 13.41 C ATOM 81 C LYS A 5 4.310 -13.005 -1.998 1.00 41.42 C ATOM 82 O LYS A 5 5.347 -12.509 -2.441 1.00 72.40 O ATOM 83 CB LYS A 5 2.094 -13.031 -3.158 1.00 62.03 C ATOM 84 CG LYS A 5 2.865 -13.594 -4.340 1.00 21.23 C ATOM 85 CD LYS A 5 3.584 -12.499 -5.109 1.00 61.15 C ATOM 86 CE LYS A 5 3.952 -12.954 -6.514 1.00 34.04 C ATOM 87 NZ LYS A 5 5.373 -12.651 -6.841 1.00 35.44 N ATOM 0 H LYS A 5 2.913 -10.722 -3.548 1.00 74.54 H new ATOM 0 HA LYS A 5 2.475 -12.273 -1.183 1.00 13.41 H new ATOM 0 HB2 LYS A 5 1.583 -13.847 -2.647 1.00 62.03 H new ATOM 0 HB3 LYS A 5 1.324 -12.353 -3.527 1.00 62.03 H new ATOM 0 HG2 LYS A 5 3.590 -14.328 -3.987 1.00 21.23 H new ATOM 0 HG3 LYS A 5 2.180 -14.118 -5.006 1.00 21.23 H new ATOM 0 HD2 LYS A 5 2.948 -11.616 -5.166 1.00 61.15 H new ATOM 0 HD3 LYS A 5 4.486 -12.208 -4.572 1.00 61.15 H new ATOM 0 HE2 LYS A 5 3.779 -14.026 -6.605 1.00 34.04 H new ATOM 0 HE3 LYS A 5 3.300 -12.463 -7.237 1.00 34.04 H new ATOM 0 HZ1 LYS A 5 5.412 -12.021 -7.668 1.00 35.44 H new ATOM 0 HZ2 LYS A 5 5.824 -12.185 -6.028 1.00 35.44 H new ATOM 0 HZ3 LYS A 5 5.876 -13.536 -7.056 1.00 35.44 H new ATOM 101 N TYR A 6 4.278 -14.174 -1.370 1.00 24.50 N ATOM 102 CA TYR A 6 5.488 -14.961 -1.157 1.00 53.05 C ATOM 103 C TYR A 6 5.915 -15.661 -2.444 1.00 22.02 C ATOM 104 O TYR A 6 5.097 -15.910 -3.331 1.00 24.34 O ATOM 105 CB TYR A 6 5.262 -15.994 -0.052 1.00 73.03 C ATOM 106 CG TYR A 6 4.942 -15.382 1.293 1.00 52.23 C ATOM 107 CD1 TYR A 6 5.926 -14.749 2.041 1.00 4.25 C ATOM 108 CD2 TYR A 6 3.656 -15.437 1.815 1.00 13.01 C ATOM 109 CE1 TYR A 6 5.639 -14.188 3.271 1.00 21.52 C ATOM 110 CE2 TYR A 6 3.359 -14.878 3.043 1.00 31.21 C ATOM 111 CZ TYR A 6 4.354 -14.255 3.767 1.00 31.34 C ATOM 112 OH TYR A 6 4.063 -13.699 4.992 1.00 54.33 O ATOM 0 H TYR A 6 3.428 -14.599 -0.999 1.00 24.50 H new ATOM 0 HA TYR A 6 6.284 -14.282 -0.852 1.00 53.05 H new ATOM 0 HB2 TYR A 6 4.446 -16.654 -0.345 1.00 73.03 H new ATOM 0 HB3 TYR A 6 6.154 -16.613 0.043 1.00 73.03 H new ATOM 0 HD1 TYR A 6 6.933 -14.694 1.655 1.00 4.25 H new ATOM 0 HD2 TYR A 6 2.875 -15.925 1.251 1.00 13.01 H new ATOM 0 HE1 TYR A 6 6.416 -13.700 3.840 1.00 21.52 H new ATOM 0 HE2 TYR A 6 2.353 -14.929 3.434 1.00 31.21 H new ATOM 0 HH TYR A 6 3.113 -13.832 5.194 1.00 54.33 H new ATOM 122 N LEU A 7 7.202 -15.976 -2.538 1.00 62.41 N ATOM 123 CA LEU A 7 7.741 -16.649 -3.715 1.00 51.02 C ATOM 124 C LEU A 7 8.226 -18.052 -3.366 1.00 63.31 C ATOM 125 O LEU A 7 9.429 -18.310 -3.319 1.00 30.12 O ATOM 126 CB LEU A 7 8.889 -15.834 -4.312 1.00 3.51 C ATOM 127 CG LEU A 7 8.752 -14.313 -4.219 1.00 61.44 C ATOM 128 CD1 LEU A 7 9.935 -13.629 -4.886 1.00 61.03 C ATOM 129 CD2 LEU A 7 7.444 -13.857 -4.850 1.00 5.33 C ATOM 0 H LEU A 7 7.892 -15.776 -1.814 1.00 62.41 H new ATOM 0 HA LEU A 7 6.942 -16.734 -4.452 1.00 51.02 H new ATOM 0 HB2 LEU A 7 9.813 -16.127 -3.814 1.00 3.51 H new ATOM 0 HB3 LEU A 7 8.993 -16.106 -5.362 1.00 3.51 H new ATOM 0 HG LEU A 7 8.743 -14.031 -3.166 1.00 61.44 H new ATOM 0 HD11 LEU A 7 9.820 -12.548 -4.810 1.00 61.03 H new ATOM 0 HD12 LEU A 7 10.857 -13.932 -4.390 1.00 61.03 H new ATOM 0 HD13 LEU A 7 9.977 -13.917 -5.937 1.00 61.03 H new ATOM 0 HD21 LEU A 7 7.363 -12.773 -4.775 1.00 5.33 H new ATOM 0 HD22 LEU A 7 7.424 -14.151 -5.899 1.00 5.33 H new ATOM 0 HD23 LEU A 7 6.607 -14.321 -4.328 1.00 5.33 H new ATOM 141 N SER A 8 7.282 -18.956 -3.124 1.00 63.35 N ATOM 142 CA SER A 8 7.614 -20.334 -2.778 1.00 54.43 C ATOM 143 C SER A 8 6.546 -21.295 -3.293 1.00 2.24 C ATOM 144 O SER A 8 5.462 -20.877 -3.701 1.00 33.45 O ATOM 145 CB SER A 8 7.760 -20.480 -1.262 1.00 51.34 C ATOM 146 OG SER A 8 6.493 -20.504 -0.628 1.00 1.22 O ATOM 0 H SER A 8 6.282 -18.760 -3.161 1.00 63.35 H new ATOM 0 HA SER A 8 8.563 -20.584 -3.253 1.00 54.43 H new ATOM 0 HB2 SER A 8 8.303 -21.397 -1.032 1.00 51.34 H new ATOM 0 HB3 SER A 8 8.351 -19.653 -0.869 1.00 51.34 H new ATOM 0 HG SER A 8 6.495 -19.885 0.131 1.00 1.22 H new ATOM 152 N THR A 9 6.861 -22.586 -3.270 1.00 64.24 N ATOM 153 CA THR A 9 5.932 -23.608 -3.735 1.00 13.11 C ATOM 154 C THR A 9 5.327 -24.374 -2.564 1.00 52.00 C ATOM 155 O THR A 9 4.166 -24.169 -2.210 1.00 22.45 O ATOM 156 CB THR A 9 6.622 -24.605 -4.685 1.00 33.24 C ATOM 157 OG1 THR A 9 7.097 -23.923 -5.851 1.00 34.04 O ATOM 158 CG2 THR A 9 5.664 -25.714 -5.094 1.00 54.43 C ATOM 0 H THR A 9 7.753 -22.949 -2.934 1.00 64.24 H new ATOM 0 HA THR A 9 5.139 -23.092 -4.277 1.00 13.11 H new ATOM 0 HB THR A 9 7.465 -25.051 -4.158 1.00 33.24 H new ATOM 0 HG1 THR A 9 7.536 -24.564 -6.449 1.00 34.04 H new ATOM 0 HG21 THR A 9 6.173 -26.406 -5.765 1.00 54.43 H new ATOM 0 HG22 THR A 9 5.328 -26.250 -4.206 1.00 54.43 H new ATOM 0 HG23 THR A 9 4.803 -25.282 -5.604 1.00 54.43 H new ATOM 166 N ALA A 10 6.121 -25.256 -1.967 1.00 30.43 N ATOM 167 CA ALA A 10 5.664 -26.051 -0.833 1.00 71.25 C ATOM 168 C ALA A 10 6.133 -25.447 0.486 1.00 40.14 C ATOM 169 O ALA A 10 6.821 -24.425 0.502 1.00 33.45 O ATOM 170 CB ALA A 10 6.154 -27.486 -0.963 1.00 41.30 C ATOM 0 H ALA A 10 7.084 -25.439 -2.249 1.00 30.43 H new ATOM 0 HA ALA A 10 4.574 -26.049 -0.835 1.00 71.25 H new ATOM 0 HB1 ALA A 10 5.806 -28.068 -0.110 1.00 41.30 H new ATOM 0 HB2 ALA A 10 5.764 -27.922 -1.883 1.00 41.30 H new ATOM 0 HB3 ALA A 10 7.244 -27.497 -0.989 1.00 41.30 H new ATOM 176 N HIS A 11 5.757 -26.084 1.590 1.00 15.31 N ATOM 177 CA HIS A 11 6.139 -25.608 2.915 1.00 61.12 C ATOM 178 C HIS A 11 7.110 -26.579 3.581 1.00 12.51 C ATOM 179 O HIS A 11 6.722 -27.669 4.004 1.00 41.43 O ATOM 180 CB HIS A 11 4.900 -25.425 3.792 1.00 70.52 C ATOM 181 CG HIS A 11 3.951 -26.583 3.737 1.00 64.22 C ATOM 182 ND1 HIS A 11 3.031 -26.754 2.725 1.00 72.44 N ATOM 183 CD2 HIS A 11 3.785 -27.632 4.576 1.00 62.21 C ATOM 184 CE1 HIS A 11 2.338 -27.858 2.944 1.00 2.33 C ATOM 185 NE2 HIS A 11 2.777 -28.409 4.061 1.00 32.44 N ATOM 0 H HIS A 11 5.188 -26.931 1.594 1.00 15.31 H new ATOM 0 HA HIS A 11 6.637 -24.645 2.799 1.00 61.12 H new ATOM 0 HB2 HIS A 11 5.215 -25.273 4.824 1.00 70.52 H new ATOM 0 HB3 HIS A 11 4.376 -24.521 3.482 1.00 70.52 H new ATOM 0 HD2 HIS A 11 4.342 -27.822 5.482 1.00 62.21 H new ATOM 0 HE1 HIS A 11 1.548 -28.244 2.317 1.00 2.33 H new ATOM 0 HE2 HIS A 11 2.424 -29.272 4.474 1.00 32.44 H new ATOM 193 N LEU A 12 8.373 -26.176 3.671 1.00 74.01 N ATOM 194 CA LEU A 12 9.400 -27.010 4.285 1.00 34.31 C ATOM 195 C LEU A 12 10.402 -26.159 5.058 1.00 64.24 C ATOM 196 O LEU A 12 10.987 -25.224 4.513 1.00 64.23 O ATOM 197 CB LEU A 12 10.125 -27.830 3.217 1.00 43.14 C ATOM 198 CG LEU A 12 10.362 -29.304 3.547 1.00 12.00 C ATOM 199 CD1 LEU A 12 9.038 -30.042 3.670 1.00 20.44 C ATOM 200 CD2 LEU A 12 11.240 -29.954 2.488 1.00 42.32 C ATOM 0 H LEU A 12 8.710 -25.277 3.327 1.00 74.01 H new ATOM 0 HA LEU A 12 8.912 -27.688 4.985 1.00 34.31 H new ATOM 0 HB2 LEU A 12 9.551 -27.773 2.292 1.00 43.14 H new ATOM 0 HB3 LEU A 12 11.090 -27.363 3.022 1.00 43.14 H new ATOM 0 HG LEU A 12 10.879 -29.363 4.505 1.00 12.00 H new ATOM 0 HD11 LEU A 12 9.226 -31.090 3.905 1.00 20.44 H new ATOM 0 HD12 LEU A 12 8.443 -29.593 4.465 1.00 20.44 H new ATOM 0 HD13 LEU A 12 8.494 -29.973 2.728 1.00 20.44 H new ATOM 0 HD21 LEU A 12 11.398 -31.003 2.740 1.00 42.32 H new ATOM 0 HD22 LEU A 12 10.751 -29.884 1.516 1.00 42.32 H new ATOM 0 HD23 LEU A 12 12.201 -29.442 2.448 1.00 42.32 H new ATOM 212 N ASN A 13 10.597 -26.492 6.330 1.00 41.24 N ATOM 213 CA ASN A 13 11.531 -25.759 7.177 1.00 51.21 C ATOM 214 C ASN A 13 11.246 -24.261 7.131 1.00 0.32 C ATOM 215 O ASN A 13 12.150 -23.441 7.294 1.00 42.01 O ATOM 216 CB ASN A 13 12.971 -26.029 6.737 1.00 22.10 C ATOM 217 CG ASN A 13 13.978 -25.705 7.824 1.00 41.13 C ATOM 218 OD1 ASN A 13 13.680 -24.963 8.760 1.00 23.10 O ATOM 219 ND2 ASN A 13 15.178 -26.261 7.703 1.00 10.21 N ATOM 0 H ASN A 13 10.121 -27.264 6.797 1.00 41.24 H new ATOM 0 HA ASN A 13 11.401 -26.105 8.203 1.00 51.21 H new ATOM 0 HB2 ASN A 13 13.071 -27.077 6.453 1.00 22.10 H new ATOM 0 HB3 ASN A 13 13.194 -25.436 5.850 1.00 22.10 H new ATOM 0 HD21 ASN A 13 15.897 -26.079 8.403 1.00 10.21 H new ATOM 0 HD22 ASN A 13 15.380 -26.870 6.910 1.00 10.21 H new ATOM 226 N TYR A 14 9.984 -23.911 6.909 1.00 0.33 N ATOM 227 CA TYR A 14 9.580 -22.511 6.840 1.00 33.53 C ATOM 228 C TYR A 14 10.223 -21.817 5.644 1.00 4.33 C ATOM 229 O TYR A 14 10.909 -20.806 5.795 1.00 51.22 O ATOM 230 CB TYR A 14 9.960 -21.785 8.132 1.00 54.24 C ATOM 231 CG TYR A 14 9.598 -22.549 9.385 1.00 12.22 C ATOM 232 CD1 TYR A 14 8.338 -23.113 9.540 1.00 55.15 C ATOM 233 CD2 TYR A 14 10.517 -22.707 10.415 1.00 31.22 C ATOM 234 CE1 TYR A 14 8.003 -23.811 10.684 1.00 54.15 C ATOM 235 CE2 TYR A 14 10.191 -23.405 11.562 1.00 2.13 C ATOM 236 CZ TYR A 14 8.933 -23.954 11.692 1.00 73.41 C ATOM 237 OH TYR A 14 8.603 -24.650 12.832 1.00 24.35 O ATOM 0 H TYR A 14 9.223 -24.577 6.774 1.00 0.33 H new ATOM 0 HA TYR A 14 8.497 -22.477 6.717 1.00 33.53 H new ATOM 0 HB2 TYR A 14 11.033 -21.595 8.130 1.00 54.24 H new ATOM 0 HB3 TYR A 14 9.465 -20.814 8.153 1.00 54.24 H new ATOM 0 HD1 TYR A 14 7.607 -23.004 8.752 1.00 55.15 H new ATOM 0 HD2 TYR A 14 11.503 -22.277 10.317 1.00 31.22 H new ATOM 0 HE1 TYR A 14 7.018 -24.242 10.788 1.00 54.15 H new ATOM 0 HE2 TYR A 14 10.918 -23.520 12.353 1.00 2.13 H new ATOM 0 HH TYR A 14 9.369 -24.660 13.443 1.00 24.35 H new ATOM 247 N MET A 15 9.996 -22.367 4.456 1.00 25.11 N ATOM 248 CA MET A 15 10.552 -21.800 3.233 1.00 43.11 C ATOM 249 C MET A 15 9.577 -20.813 2.599 1.00 72.41 C ATOM 250 O MET A 15 8.502 -21.197 2.140 1.00 61.41 O ATOM 251 CB MET A 15 10.891 -22.912 2.238 1.00 55.43 C ATOM 252 CG MET A 15 12.236 -23.570 2.496 1.00 32.25 C ATOM 253 SD MET A 15 13.497 -23.062 1.312 1.00 21.23 S ATOM 254 CE MET A 15 14.700 -24.374 1.515 1.00 74.02 C ATOM 0 H MET A 15 9.431 -23.204 4.314 1.00 25.11 H new ATOM 0 HA MET A 15 11.465 -21.265 3.493 1.00 43.11 H new ATOM 0 HB2 MET A 15 10.111 -23.672 2.276 1.00 55.43 H new ATOM 0 HB3 MET A 15 10.885 -22.499 1.229 1.00 55.43 H new ATOM 0 HG2 MET A 15 12.569 -23.323 3.504 1.00 32.25 H new ATOM 0 HG3 MET A 15 12.120 -24.653 2.455 1.00 32.25 H new ATOM 0 HE1 MET A 15 15.543 -24.201 0.847 1.00 74.02 H new ATOM 0 HE2 MET A 15 15.052 -24.389 2.547 1.00 74.02 H new ATOM 0 HE3 MET A 15 14.238 -25.332 1.275 1.00 74.02 H new ATOM 264 N ASN A 16 9.959 -19.541 2.578 1.00 43.32 N ATOM 265 CA ASN A 16 9.117 -18.499 2.001 1.00 63.14 C ATOM 266 C ASN A 16 9.937 -17.254 1.678 1.00 41.43 C ATOM 267 O ASN A 16 10.895 -16.929 2.380 1.00 30.53 O ATOM 268 CB ASN A 16 7.982 -18.141 2.962 1.00 41.00 C ATOM 269 CG ASN A 16 6.621 -18.197 2.296 1.00 71.23 C ATOM 270 OD1 ASN A 16 6.501 -18.590 1.135 1.00 22.43 O ATOM 271 ND2 ASN A 16 5.587 -17.803 3.029 1.00 14.23 N ATOM 0 H ASN A 16 10.846 -19.206 2.954 1.00 43.32 H new ATOM 0 HA ASN A 16 8.691 -18.883 1.074 1.00 63.14 H new ATOM 0 HB2 ASN A 16 7.997 -18.827 3.809 1.00 41.00 H new ATOM 0 HB3 ASN A 16 8.148 -17.140 3.359 1.00 41.00 H new ATOM 0 HD21 ASN A 16 4.647 -17.818 2.634 1.00 14.23 H new ATOM 0 HD22 ASN A 16 5.733 -17.485 3.987 1.00 14.23 H new ATOM 278 N ILE A 17 9.554 -16.560 0.611 1.00 12.23 N ATOM 279 CA ILE A 17 10.252 -15.349 0.197 1.00 70.43 C ATOM 280 C ILE A 17 9.286 -14.178 0.057 1.00 12.11 C ATOM 281 O ILE A 17 8.506 -14.113 -0.892 1.00 72.24 O ATOM 282 CB ILE A 17 10.989 -15.554 -1.140 1.00 71.50 C ATOM 283 CG1 ILE A 17 12.064 -16.633 -0.994 1.00 63.03 C ATOM 284 CG2 ILE A 17 11.604 -14.246 -1.612 1.00 3.52 C ATOM 285 CD1 ILE A 17 12.438 -17.294 -2.302 1.00 61.34 C ATOM 0 H ILE A 17 8.764 -16.816 0.018 1.00 12.23 H new ATOM 0 HA ILE A 17 10.982 -15.124 0.975 1.00 70.43 H new ATOM 0 HB ILE A 17 10.269 -15.884 -1.888 1.00 71.50 H new ATOM 0 HG12 ILE A 17 12.956 -16.188 -0.553 1.00 63.03 H new ATOM 0 HG13 ILE A 17 11.711 -17.395 -0.299 1.00 63.03 H new ATOM 0 HG21 ILE A 17 12.121 -14.408 -2.558 1.00 3.52 H new ATOM 0 HG22 ILE A 17 10.818 -13.503 -1.750 1.00 3.52 H new ATOM 0 HG23 ILE A 17 12.314 -13.888 -0.867 1.00 3.52 H new ATOM 0 HD11 ILE A 17 13.205 -18.048 -2.123 1.00 61.34 H new ATOM 0 HD12 ILE A 17 11.557 -17.768 -2.735 1.00 61.34 H new ATOM 0 HD13 ILE A 17 12.822 -16.543 -2.992 1.00 61.34 H new ATOM 297 N ALA A 18 9.345 -13.253 1.009 1.00 0.52 N ATOM 298 CA ALA A 18 8.478 -12.081 0.991 1.00 42.23 C ATOM 299 C ALA A 18 9.086 -10.962 0.152 1.00 11.41 C ATOM 300 O ALA A 18 10.260 -10.624 0.306 1.00 71.43 O ATOM 301 CB ALA A 18 8.215 -11.597 2.409 1.00 54.21 C ATOM 0 H ALA A 18 9.984 -13.292 1.803 1.00 0.52 H new ATOM 0 HA ALA A 18 7.530 -12.368 0.535 1.00 42.23 H new ATOM 0 HB1 ALA A 18 7.566 -10.721 2.380 1.00 54.21 H new ATOM 0 HB2 ALA A 18 7.730 -12.389 2.980 1.00 54.21 H new ATOM 0 HB3 ALA A 18 9.160 -11.333 2.884 1.00 54.21 H new ATOM 307 N VAL A 19 8.279 -10.389 -0.736 1.00 65.11 N ATOM 308 CA VAL A 19 8.738 -9.307 -1.599 1.00 71.23 C ATOM 309 C VAL A 19 7.963 -8.022 -1.328 1.00 65.34 C ATOM 310 O VAL A 19 6.920 -8.040 -0.676 1.00 35.22 O ATOM 311 CB VAL A 19 8.593 -9.677 -3.087 1.00 42.25 C ATOM 312 CG1 VAL A 19 9.636 -8.949 -3.922 1.00 53.24 C ATOM 313 CG2 VAL A 19 8.704 -11.182 -3.275 1.00 62.24 C ATOM 0 H VAL A 19 7.305 -10.656 -0.876 1.00 65.11 H new ATOM 0 HA VAL A 19 9.792 -9.147 -1.373 1.00 71.23 H new ATOM 0 HB VAL A 19 7.606 -9.363 -3.427 1.00 42.25 H new ATOM 0 HG11 VAL A 19 9.518 -9.223 -4.971 1.00 53.24 H new ATOM 0 HG12 VAL A 19 9.504 -7.873 -3.811 1.00 53.24 H new ATOM 0 HG13 VAL A 19 10.633 -9.229 -3.584 1.00 53.24 H new ATOM 0 HG21 VAL A 19 8.599 -11.425 -4.332 1.00 62.24 H new ATOM 0 HG22 VAL A 19 9.676 -11.522 -2.919 1.00 62.24 H new ATOM 0 HG23 VAL A 19 7.916 -11.679 -2.709 1.00 62.24 H new ATOM 323 N TYR A 20 8.481 -6.908 -1.834 1.00 61.40 N ATOM 324 CA TYR A 20 7.839 -5.613 -1.645 1.00 43.12 C ATOM 325 C TYR A 20 8.043 -4.721 -2.866 1.00 51.10 C ATOM 326 O TYR A 20 9.157 -4.586 -3.370 1.00 62.44 O ATOM 327 CB TYR A 20 8.393 -4.923 -0.397 1.00 41.14 C ATOM 328 CG TYR A 20 8.478 -5.830 0.809 1.00 62.41 C ATOM 329 CD1 TYR A 20 7.338 -6.179 1.522 1.00 12.34 C ATOM 330 CD2 TYR A 20 9.699 -6.339 1.236 1.00 14.30 C ATOM 331 CE1 TYR A 20 7.411 -7.007 2.626 1.00 54.03 C ATOM 332 CE2 TYR A 20 9.781 -7.169 2.337 1.00 13.21 C ATOM 333 CZ TYR A 20 8.634 -7.500 3.029 1.00 41.22 C ATOM 334 OH TYR A 20 8.712 -8.325 4.127 1.00 31.20 O ATOM 0 H TYR A 20 9.343 -6.876 -2.378 1.00 61.40 H new ATOM 0 HA TYR A 20 6.770 -5.781 -1.515 1.00 43.12 H new ATOM 0 HB2 TYR A 20 9.386 -4.533 -0.619 1.00 41.14 H new ATOM 0 HB3 TYR A 20 7.762 -4.068 -0.154 1.00 41.14 H new ATOM 0 HD1 TYR A 20 6.378 -5.797 1.208 1.00 12.34 H new ATOM 0 HD2 TYR A 20 10.599 -6.081 0.698 1.00 14.30 H new ATOM 0 HE1 TYR A 20 6.515 -7.267 3.170 1.00 54.03 H new ATOM 0 HE2 TYR A 20 10.738 -7.557 2.655 1.00 13.21 H new ATOM 0 HH TYR A 20 9.584 -8.772 4.139 1.00 31.20 H new ATOM 344 N GLU A 21 6.957 -4.113 -3.335 1.00 23.44 N ATOM 345 CA GLU A 21 7.016 -3.234 -4.496 1.00 62.13 C ATOM 346 C GLU A 21 6.843 -1.775 -4.084 1.00 32.22 C ATOM 347 O GLU A 21 6.197 -1.476 -3.080 1.00 42.44 O ATOM 348 CB GLU A 21 5.938 -3.620 -5.511 1.00 61.12 C ATOM 349 CG GLU A 21 5.947 -2.762 -6.765 1.00 11.42 C ATOM 350 CD GLU A 21 4.891 -3.183 -7.768 1.00 61.42 C ATOM 351 OE1 GLU A 21 4.725 -4.404 -7.976 1.00 11.32 O ATOM 352 OE2 GLU A 21 4.232 -2.294 -8.346 1.00 33.23 O ATOM 0 H GLU A 21 6.027 -4.214 -2.929 1.00 23.44 H new ATOM 0 HA GLU A 21 7.997 -3.349 -4.957 1.00 62.13 H new ATOM 0 HB2 GLU A 21 6.075 -4.664 -5.794 1.00 61.12 H new ATOM 0 HB3 GLU A 21 4.960 -3.544 -5.036 1.00 61.12 H new ATOM 0 HG2 GLU A 21 5.785 -1.720 -6.489 1.00 11.42 H new ATOM 0 HG3 GLU A 21 6.930 -2.819 -7.233 1.00 11.42 H new ATOM 359 N ASN A 22 7.425 -0.872 -4.866 1.00 1.01 N ATOM 360 CA ASN A 22 7.337 0.556 -4.582 1.00 35.20 C ATOM 361 C ASN A 22 6.219 1.204 -5.394 1.00 20.51 C ATOM 362 O ASN A 22 5.959 0.815 -6.532 1.00 42.51 O ATOM 363 CB ASN A 22 8.669 1.242 -4.889 1.00 61.25 C ATOM 364 CG ASN A 22 8.599 2.747 -4.715 1.00 34.52 C ATOM 365 OD1 ASN A 22 7.909 3.248 -3.826 1.00 63.14 O ATOM 366 ND2 ASN A 22 9.313 3.475 -5.565 1.00 24.34 N ATOM 0 H ASN A 22 7.963 -1.103 -5.701 1.00 1.01 H new ATOM 0 HA ASN A 22 7.110 0.677 -3.523 1.00 35.20 H new ATOM 0 HB2 ASN A 22 9.441 0.839 -4.234 1.00 61.25 H new ATOM 0 HB3 ASN A 22 8.966 1.011 -5.912 1.00 61.25 H new ATOM 0 HD21 ASN A 22 9.304 4.493 -5.497 1.00 24.34 H new ATOM 0 HD22 ASN A 22 9.870 3.017 -6.286 1.00 24.34 H new ATOM 373 N GLY A 23 5.561 2.194 -4.800 1.00 11.52 N ATOM 374 CA GLY A 23 4.480 2.881 -5.482 1.00 75.21 C ATOM 375 C GLY A 23 4.948 3.604 -6.729 1.00 54.31 C ATOM 376 O GLY A 23 4.174 3.806 -7.665 1.00 61.13 O ATOM 0 H GLY A 23 5.757 2.533 -3.858 1.00 11.52 H new ATOM 0 HA2 GLY A 23 3.708 2.160 -5.752 1.00 75.21 H new ATOM 0 HA3 GLY A 23 4.022 3.598 -4.800 1.00 75.21 H new ATOM 380 N SER A 24 6.217 3.998 -6.742 1.00 21.21 N ATOM 381 CA SER A 24 6.786 4.708 -7.881 1.00 51.32 C ATOM 382 C SER A 24 7.241 3.730 -8.960 1.00 35.32 C ATOM 383 O SER A 24 6.686 3.696 -10.059 1.00 1.44 O ATOM 384 CB SER A 24 7.965 5.574 -7.433 1.00 14.25 C ATOM 385 OG SER A 24 7.764 6.068 -6.120 1.00 11.24 O ATOM 0 H SER A 24 6.871 3.837 -5.976 1.00 21.21 H new ATOM 0 HA SER A 24 6.011 5.350 -8.300 1.00 51.32 H new ATOM 0 HB2 SER A 24 8.884 4.989 -7.468 1.00 14.25 H new ATOM 0 HB3 SER A 24 8.091 6.408 -8.124 1.00 14.25 H new ATOM 0 HG SER A 24 8.532 6.617 -5.856 1.00 11.24 H new ATOM 391 N LYS A 25 8.254 2.933 -8.638 1.00 3.42 N ATOM 392 CA LYS A 25 8.785 1.952 -9.577 1.00 0.14 C ATOM 393 C LYS A 25 8.653 0.539 -9.019 1.00 22.45 C ATOM 394 O LYS A 25 8.102 0.338 -7.936 1.00 20.21 O ATOM 395 CB LYS A 25 10.253 2.254 -9.887 1.00 12.51 C ATOM 396 CG LYS A 25 10.456 3.538 -10.672 1.00 43.53 C ATOM 397 CD LYS A 25 10.098 3.359 -12.138 1.00 31.51 C ATOM 398 CE LYS A 25 9.604 4.658 -12.754 1.00 54.15 C ATOM 399 NZ LYS A 25 8.922 4.429 -14.058 1.00 53.34 N ATOM 0 H LYS A 25 8.724 2.947 -7.733 1.00 3.42 H new ATOM 0 HA LYS A 25 8.205 2.016 -10.498 1.00 0.14 H new ATOM 0 HB2 LYS A 25 10.808 2.319 -8.951 1.00 12.51 H new ATOM 0 HB3 LYS A 25 10.675 1.422 -10.451 1.00 12.51 H new ATOM 0 HG2 LYS A 25 9.843 4.330 -10.241 1.00 43.53 H new ATOM 0 HG3 LYS A 25 11.495 3.857 -10.587 1.00 43.53 H new ATOM 0 HD2 LYS A 25 10.971 3.004 -12.686 1.00 31.51 H new ATOM 0 HD3 LYS A 25 9.328 2.593 -12.235 1.00 31.51 H new ATOM 0 HE2 LYS A 25 8.916 5.148 -12.065 1.00 54.15 H new ATOM 0 HE3 LYS A 25 10.446 5.335 -12.898 1.00 54.15 H new ATOM 0 HZ1 LYS A 25 8.600 5.339 -14.446 1.00 53.34 H new ATOM 0 HZ2 LYS A 25 9.586 3.985 -14.724 1.00 53.34 H new ATOM 0 HZ3 LYS A 25 8.103 3.804 -13.916 1.00 53.34 H new ATOM 413 N ILE A 26 9.163 -0.436 -9.763 1.00 63.51 N ATOM 414 CA ILE A 26 9.104 -1.830 -9.341 1.00 24.34 C ATOM 415 C ILE A 26 10.271 -2.176 -8.422 1.00 2.13 C ATOM 416 O ILE A 26 11.430 -1.911 -8.744 1.00 14.54 O ATOM 417 CB ILE A 26 9.116 -2.786 -10.548 1.00 43.34 C ATOM 418 CG1 ILE A 26 7.908 -2.520 -11.448 1.00 74.23 C ATOM 419 CG2 ILE A 26 9.126 -4.233 -10.079 1.00 3.20 C ATOM 420 CD1 ILE A 26 6.596 -2.975 -10.848 1.00 72.10 C ATOM 0 H ILE A 26 9.622 -0.286 -10.662 1.00 63.51 H new ATOM 0 HA ILE A 26 8.167 -1.955 -8.799 1.00 24.34 H new ATOM 0 HB ILE A 26 10.023 -2.607 -11.126 1.00 43.34 H new ATOM 0 HG12 ILE A 26 7.851 -1.452 -11.659 1.00 74.23 H new ATOM 0 HG13 ILE A 26 8.057 -3.026 -12.402 1.00 74.23 H new ATOM 0 HG21 ILE A 26 9.134 -4.896 -10.944 1.00 3.20 H new ATOM 0 HG22 ILE A 26 10.015 -4.414 -9.475 1.00 3.20 H new ATOM 0 HG23 ILE A 26 8.236 -4.428 -9.481 1.00 3.20 H new ATOM 0 HD11 ILE A 26 5.783 -2.755 -11.540 1.00 72.10 H new ATOM 0 HD12 ILE A 26 6.634 -4.048 -10.662 1.00 72.10 H new ATOM 0 HD13 ILE A 26 6.424 -2.450 -9.908 1.00 72.10 H new ATOM 432 N LYS A 27 9.958 -2.772 -7.276 1.00 4.30 N ATOM 433 CA LYS A 27 10.980 -3.158 -6.310 1.00 0.21 C ATOM 434 C LYS A 27 10.872 -4.640 -5.966 1.00 54.05 C ATOM 435 O LYS A 27 9.773 -5.172 -5.812 1.00 73.24 O ATOM 436 CB LYS A 27 10.851 -2.318 -5.037 1.00 42.33 C ATOM 437 CG LYS A 27 11.765 -2.774 -3.913 1.00 14.44 C ATOM 438 CD LYS A 27 12.226 -1.603 -3.060 1.00 64.43 C ATOM 439 CE LYS A 27 13.446 -0.923 -3.662 1.00 42.32 C ATOM 440 NZ LYS A 27 13.066 0.198 -4.566 1.00 3.20 N ATOM 0 H LYS A 27 9.004 -2.998 -6.994 1.00 4.30 H new ATOM 0 HA LYS A 27 11.956 -2.978 -6.760 1.00 0.21 H new ATOM 0 HB2 LYS A 27 11.072 -1.277 -5.274 1.00 42.33 H new ATOM 0 HB3 LYS A 27 9.818 -2.354 -4.691 1.00 42.33 H new ATOM 0 HG2 LYS A 27 11.241 -3.497 -3.288 1.00 14.44 H new ATOM 0 HG3 LYS A 27 12.632 -3.284 -4.332 1.00 14.44 H new ATOM 0 HD2 LYS A 27 11.416 -0.880 -2.963 1.00 64.43 H new ATOM 0 HD3 LYS A 27 12.462 -1.954 -2.055 1.00 64.43 H new ATOM 0 HE2 LYS A 27 14.083 -0.545 -2.862 1.00 42.32 H new ATOM 0 HE3 LYS A 27 14.033 -1.655 -4.217 1.00 42.32 H new ATOM 0 HZ1 LYS A 27 13.644 1.034 -4.345 1.00 3.20 H new ATOM 0 HZ2 LYS A 27 13.228 -0.083 -5.554 1.00 3.20 H new ATOM 0 HZ3 LYS A 27 12.061 0.427 -4.431 1.00 3.20 H new ATOM 454 N ALA A 28 12.019 -5.300 -5.847 1.00 34.53 N ATOM 455 CA ALA A 28 12.052 -6.720 -5.518 1.00 31.12 C ATOM 456 C ALA A 28 13.034 -6.998 -4.385 1.00 62.31 C ATOM 457 O ALA A 28 14.248 -6.992 -4.588 1.00 64.13 O ATOM 458 CB ALA A 28 12.416 -7.538 -6.748 1.00 21.42 C ATOM 0 H ALA A 28 12.937 -4.875 -5.973 1.00 34.53 H new ATOM 0 HA ALA A 28 11.058 -7.013 -5.182 1.00 31.12 H new ATOM 0 HB1 ALA A 28 12.437 -8.596 -6.488 1.00 21.42 H new ATOM 0 HB2 ALA A 28 11.674 -7.371 -7.529 1.00 21.42 H new ATOM 0 HB3 ALA A 28 13.398 -7.234 -7.110 1.00 21.42 H new ATOM 464 N ARG A 29 12.501 -7.241 -3.192 1.00 62.32 N ATOM 465 CA ARG A 29 13.332 -7.520 -2.027 1.00 14.23 C ATOM 466 C ARG A 29 13.093 -8.937 -1.515 1.00 71.42 C ATOM 467 O ARG A 29 12.038 -9.238 -0.957 1.00 13.34 O ATOM 468 CB ARG A 29 13.043 -6.510 -0.915 1.00 14.51 C ATOM 469 CG ARG A 29 13.896 -6.709 0.327 1.00 63.43 C ATOM 470 CD ARG A 29 13.173 -6.244 1.581 1.00 43.22 C ATOM 471 NE ARG A 29 14.103 -5.901 2.653 1.00 3.33 N ATOM 472 CZ ARG A 29 14.829 -4.788 2.669 1.00 71.10 C ATOM 473 NH1 ARG A 29 14.732 -3.915 1.675 1.00 20.55 N ATOM 474 NH2 ARG A 29 15.653 -4.546 3.680 1.00 23.43 N ATOM 0 H ARG A 29 11.498 -7.250 -3.007 1.00 62.32 H new ATOM 0 HA ARG A 29 14.376 -7.432 -2.327 1.00 14.23 H new ATOM 0 HB2 ARG A 29 13.206 -5.503 -1.299 1.00 14.51 H new ATOM 0 HB3 ARG A 29 11.991 -6.579 -0.638 1.00 14.51 H new ATOM 0 HG2 ARG A 29 14.156 -7.763 0.426 1.00 63.43 H new ATOM 0 HG3 ARG A 29 14.831 -6.159 0.220 1.00 63.43 H new ATOM 0 HD2 ARG A 29 12.557 -5.376 1.344 1.00 43.22 H new ATOM 0 HD3 ARG A 29 12.499 -7.029 1.923 1.00 43.22 H new ATOM 0 HE ARG A 29 14.201 -6.551 3.433 1.00 3.33 H new ATOM 0 HH11 ARG A 29 14.099 -4.097 0.896 1.00 20.55 H new ATOM 0 HH12 ARG A 29 15.290 -3.061 1.690 1.00 20.55 H new ATOM 0 HH21 ARG A 29 15.730 -5.215 4.446 1.00 23.43 H new ATOM 0 HH22 ARG A 29 16.210 -3.691 3.691 1.00 23.43 H new ATOM 488 N VAL A 30 14.080 -9.806 -1.711 1.00 3.34 N ATOM 489 CA VAL A 30 13.978 -11.191 -1.269 1.00 23.51 C ATOM 490 C VAL A 30 14.204 -11.307 0.234 1.00 21.13 C ATOM 491 O VAL A 30 15.322 -11.136 0.718 1.00 23.24 O ATOM 492 CB VAL A 30 14.994 -12.090 -2.000 1.00 54.31 C ATOM 493 CG1 VAL A 30 15.044 -13.469 -1.360 1.00 44.25 C ATOM 494 CG2 VAL A 30 14.647 -12.191 -3.478 1.00 5.20 C ATOM 0 H VAL A 30 14.959 -9.575 -2.173 1.00 3.34 H new ATOM 0 HA VAL A 30 12.969 -11.526 -1.509 1.00 23.51 H new ATOM 0 HB VAL A 30 15.983 -11.639 -1.912 1.00 54.31 H new ATOM 0 HG11 VAL A 30 15.767 -14.090 -1.889 1.00 44.25 H new ATOM 0 HG12 VAL A 30 15.342 -13.375 -0.316 1.00 44.25 H new ATOM 0 HG13 VAL A 30 14.059 -13.932 -1.415 1.00 44.25 H new ATOM 0 HG21 VAL A 30 15.374 -12.829 -3.980 1.00 5.20 H new ATOM 0 HG22 VAL A 30 13.651 -12.619 -3.589 1.00 5.20 H new ATOM 0 HG23 VAL A 30 14.667 -11.197 -3.925 1.00 5.20 H new ATOM 504 N GLU A 31 13.134 -11.599 0.967 1.00 21.13 N ATOM 505 CA GLU A 31 13.216 -11.737 2.417 1.00 63.34 C ATOM 506 C GLU A 31 12.888 -13.164 2.846 1.00 23.34 C ATOM 507 O GLU A 31 11.781 -13.652 2.624 1.00 12.54 O ATOM 508 CB GLU A 31 12.262 -10.755 3.100 1.00 64.22 C ATOM 509 CG GLU A 31 12.106 -10.997 4.592 1.00 74.14 C ATOM 510 CD GLU A 31 11.789 -9.728 5.358 1.00 14.22 C ATOM 511 OE1 GLU A 31 12.290 -8.655 4.962 1.00 65.03 O ATOM 512 OE2 GLU A 31 11.039 -9.807 6.354 1.00 5.21 O ATOM 0 H GLU A 31 12.201 -11.744 0.581 1.00 21.13 H new ATOM 0 HA GLU A 31 14.238 -11.510 2.721 1.00 63.34 H new ATOM 0 HB2 GLU A 31 12.624 -9.739 2.941 1.00 64.22 H new ATOM 0 HB3 GLU A 31 11.283 -10.822 2.625 1.00 64.22 H new ATOM 0 HG2 GLU A 31 11.312 -11.725 4.757 1.00 74.14 H new ATOM 0 HG3 GLU A 31 13.025 -11.434 4.984 1.00 74.14 H new ATOM 519 N ASN A 32 13.861 -13.829 3.463 1.00 53.43 N ATOM 520 CA ASN A 32 13.677 -15.200 3.923 1.00 34.20 C ATOM 521 C ASN A 32 13.203 -15.228 5.373 1.00 30.40 C ATOM 522 O ASN A 32 13.303 -14.232 6.090 1.00 74.25 O ATOM 523 CB ASN A 32 14.982 -15.986 3.786 1.00 43.21 C ATOM 524 CG ASN A 32 15.852 -15.883 5.024 1.00 11.30 C ATOM 525 OD1 ASN A 32 15.882 -16.793 5.852 1.00 1.14 O ATOM 526 ND2 ASN A 32 16.564 -14.770 5.155 1.00 4.24 N ATOM 0 H ASN A 32 14.784 -13.440 3.655 1.00 53.43 H new ATOM 0 HA ASN A 32 12.913 -15.666 3.300 1.00 34.20 H new ATOM 0 HB2 ASN A 32 14.753 -17.034 3.592 1.00 43.21 H new ATOM 0 HB3 ASN A 32 15.537 -15.616 2.924 1.00 43.21 H new ATOM 0 HD21 ASN A 32 17.167 -14.643 5.968 1.00 4.24 H new ATOM 0 HD22 ASN A 32 16.508 -14.042 4.443 1.00 4.24 H new ATOM 533 N VAL A 33 12.688 -16.377 5.799 1.00 34.24 N ATOM 534 CA VAL A 33 12.200 -16.537 7.164 1.00 0.41 C ATOM 535 C VAL A 33 12.969 -17.629 7.899 1.00 45.34 C ATOM 536 O VAL A 33 13.085 -17.605 9.124 1.00 35.40 O ATOM 537 CB VAL A 33 10.698 -16.878 7.187 1.00 2.33 C ATOM 538 CG1 VAL A 33 9.865 -15.640 6.893 1.00 13.23 C ATOM 539 CG2 VAL A 33 10.389 -17.987 6.194 1.00 71.24 C ATOM 0 H VAL A 33 12.598 -17.211 5.219 1.00 34.24 H new ATOM 0 HA VAL A 33 12.357 -15.584 7.669 1.00 0.41 H new ATOM 0 HB VAL A 33 10.438 -17.232 8.185 1.00 2.33 H new ATOM 0 HG11 VAL A 33 8.807 -15.900 6.913 1.00 13.23 H new ATOM 0 HG12 VAL A 33 10.066 -14.879 7.647 1.00 13.23 H new ATOM 0 HG13 VAL A 33 10.124 -15.253 5.908 1.00 13.23 H new ATOM 0 HG21 VAL A 33 9.324 -18.215 6.223 1.00 71.24 H new ATOM 0 HG22 VAL A 33 10.663 -17.663 5.190 1.00 71.24 H new ATOM 0 HG23 VAL A 33 10.958 -18.879 6.456 1.00 71.24 H new ATOM 549 N VAL A 34 13.496 -18.586 7.141 1.00 51.20 N ATOM 550 CA VAL A 34 14.257 -19.687 7.719 1.00 34.03 C ATOM 551 C VAL A 34 15.338 -19.172 8.662 1.00 22.23 C ATOM 552 O VAL A 34 15.583 -19.754 9.718 1.00 5.12 O ATOM 553 CB VAL A 34 14.913 -20.551 6.626 1.00 51.10 C ATOM 554 CG1 VAL A 34 13.863 -21.370 5.891 1.00 62.41 C ATOM 555 CG2 VAL A 34 15.695 -19.678 5.656 1.00 24.42 C ATOM 0 H VAL A 34 13.410 -18.621 6.125 1.00 51.20 H new ATOM 0 HA VAL A 34 13.551 -20.299 8.280 1.00 34.03 H new ATOM 0 HB VAL A 34 15.610 -21.241 7.102 1.00 51.10 H new ATOM 0 HG11 VAL A 34 14.345 -21.974 5.122 1.00 62.41 H new ATOM 0 HG12 VAL A 34 13.351 -22.023 6.598 1.00 62.41 H new ATOM 0 HG13 VAL A 34 13.140 -20.701 5.425 1.00 62.41 H new ATOM 0 HG21 VAL A 34 16.152 -20.304 4.890 1.00 24.42 H new ATOM 0 HG22 VAL A 34 15.020 -18.963 5.185 1.00 24.42 H new ATOM 0 HG23 VAL A 34 16.474 -19.140 6.197 1.00 24.42 H new ATOM 565 N ASN A 35 15.982 -18.076 8.273 1.00 21.54 N ATOM 566 CA ASN A 35 17.039 -17.482 9.085 1.00 74.35 C ATOM 567 C ASN A 35 16.483 -16.375 9.975 1.00 42.55 C ATOM 568 O ASN A 35 17.054 -16.057 11.017 1.00 51.41 O ATOM 569 CB ASN A 35 18.146 -16.925 8.188 1.00 11.40 C ATOM 570 CG ASN A 35 19.260 -17.926 7.955 1.00 63.43 C ATOM 571 OD1 ASN A 35 19.056 -18.963 7.322 1.00 42.50 O ATOM 572 ND2 ASN A 35 20.447 -17.621 8.466 1.00 10.15 N ATOM 0 H ASN A 35 15.791 -17.581 7.402 1.00 21.54 H new ATOM 0 HA ASN A 35 17.456 -18.261 9.723 1.00 74.35 H new ATOM 0 HB2 ASN A 35 17.719 -16.631 7.229 1.00 11.40 H new ATOM 0 HB3 ASN A 35 18.560 -16.025 8.642 1.00 11.40 H new ATOM 0 HD21 ASN A 35 21.235 -18.257 8.341 1.00 10.15 H new ATOM 0 HD22 ASN A 35 20.571 -16.751 8.984 1.00 10.15 H new ATOM 579 N GLY A 36 15.365 -15.790 9.555 1.00 33.40 N ATOM 580 CA GLY A 36 14.750 -14.725 10.325 1.00 23.14 C ATOM 581 C GLY A 36 15.245 -13.353 9.915 1.00 45.44 C ATOM 582 O GLY A 36 14.620 -12.339 10.226 1.00 34.22 O ATOM 0 H GLY A 36 14.874 -16.035 8.695 1.00 33.40 H new ATOM 0 HA2 GLY A 36 13.668 -14.769 10.201 1.00 23.14 H new ATOM 0 HA3 GLY A 36 14.956 -14.881 11.384 1.00 23.14 H new ATOM 586 N LYS A 37 16.374 -13.318 9.214 1.00 1.22 N ATOM 587 CA LYS A 37 16.955 -12.060 8.760 1.00 53.11 C ATOM 588 C LYS A 37 16.922 -11.964 7.238 1.00 64.01 C ATOM 589 O LYS A 37 17.656 -12.670 6.546 1.00 4.14 O ATOM 590 CB LYS A 37 18.395 -11.930 9.259 1.00 4.43 C ATOM 591 CG LYS A 37 19.162 -10.788 8.614 1.00 13.23 C ATOM 592 CD LYS A 37 18.465 -9.455 8.832 1.00 32.21 C ATOM 593 CE LYS A 37 19.335 -8.291 8.383 1.00 32.21 C ATOM 594 NZ LYS A 37 20.312 -7.892 9.433 1.00 2.12 N ATOM 0 H LYS A 37 16.905 -14.147 8.948 1.00 1.22 H new ATOM 0 HA LYS A 37 16.360 -11.244 9.171 1.00 53.11 H new ATOM 0 HB2 LYS A 37 18.385 -11.785 10.339 1.00 4.43 H new ATOM 0 HB3 LYS A 37 18.923 -12.864 9.068 1.00 4.43 H new ATOM 0 HG2 LYS A 37 20.169 -10.745 9.028 1.00 13.23 H new ATOM 0 HG3 LYS A 37 19.265 -10.975 7.545 1.00 13.23 H new ATOM 0 HD2 LYS A 37 17.524 -9.441 8.282 1.00 32.21 H new ATOM 0 HD3 LYS A 37 18.219 -9.340 9.888 1.00 32.21 H new ATOM 0 HE2 LYS A 37 19.871 -8.567 7.475 1.00 32.21 H new ATOM 0 HE3 LYS A 37 18.702 -7.439 8.133 1.00 32.21 H new ATOM 0 HZ1 LYS A 37 20.886 -7.096 9.089 1.00 2.12 H new ATOM 0 HZ2 LYS A 37 19.801 -7.604 10.292 1.00 2.12 H new ATOM 0 HZ3 LYS A 37 20.933 -8.697 9.653 1.00 2.12 H new ATOM 608 N SER A 38 16.068 -11.085 6.723 1.00 62.52 N ATOM 609 CA SER A 38 15.939 -10.899 5.282 1.00 21.23 C ATOM 610 C SER A 38 17.303 -10.664 4.641 1.00 61.15 C ATOM 611 O SER A 38 18.070 -9.807 5.081 1.00 71.43 O ATOM 612 CB SER A 38 15.011 -9.721 4.980 1.00 32.13 C ATOM 613 OG SER A 38 15.733 -8.503 4.932 1.00 54.44 O ATOM 0 H SER A 38 15.455 -10.491 7.282 1.00 62.52 H new ATOM 0 HA SER A 38 15.510 -11.808 4.860 1.00 21.23 H new ATOM 0 HB2 SER A 38 14.506 -9.886 4.028 1.00 32.13 H new ATOM 0 HB3 SER A 38 14.237 -9.659 5.745 1.00 32.13 H new ATOM 0 HG SER A 38 16.636 -8.644 5.287 1.00 54.44 H new ATOM 619 N VAL A 39 17.599 -11.432 3.596 1.00 1.34 N ATOM 620 CA VAL A 39 18.870 -11.308 2.892 1.00 54.40 C ATOM 621 C VAL A 39 18.653 -11.162 1.390 1.00 62.01 C ATOM 622 O VAL A 39 19.007 -12.047 0.612 1.00 22.34 O ATOM 623 CB VAL A 39 19.777 -12.524 3.153 1.00 24.13 C ATOM 624 CG1 VAL A 39 20.496 -12.378 4.486 1.00 41.22 C ATOM 625 CG2 VAL A 39 18.967 -13.811 3.113 1.00 23.15 C ATOM 0 H VAL A 39 16.976 -12.146 3.219 1.00 1.34 H new ATOM 0 HA VAL A 39 19.358 -10.412 3.275 1.00 54.40 H new ATOM 0 HB VAL A 39 20.529 -12.570 2.365 1.00 24.13 H new ATOM 0 HG11 VAL A 39 21.132 -13.247 4.653 1.00 41.22 H new ATOM 0 HG12 VAL A 39 21.109 -11.477 4.472 1.00 41.22 H new ATOM 0 HG13 VAL A 39 19.763 -12.306 5.289 1.00 41.22 H new ATOM 0 HG21 VAL A 39 19.624 -14.660 3.299 1.00 23.15 H new ATOM 0 HG22 VAL A 39 18.192 -13.777 3.879 1.00 23.15 H new ATOM 0 HG23 VAL A 39 18.504 -13.919 2.132 1.00 23.15 H new ATOM 635 N GLY A 40 18.069 -10.037 0.988 1.00 60.23 N ATOM 636 CA GLY A 40 17.816 -9.795 -0.421 1.00 34.54 C ATOM 637 C GLY A 40 17.439 -8.355 -0.703 1.00 1.41 C ATOM 638 O GLY A 40 16.551 -7.800 -0.056 1.00 3.20 O ATOM 0 H GLY A 40 17.767 -9.289 1.612 1.00 60.23 H new ATOM 0 HA2 GLY A 40 18.705 -10.054 -0.996 1.00 34.54 H new ATOM 0 HA3 GLY A 40 17.014 -10.451 -0.761 1.00 34.54 H new ATOM 642 N ALA A 41 18.117 -7.746 -1.671 1.00 31.23 N ATOM 643 CA ALA A 41 17.848 -6.361 -2.037 1.00 63.22 C ATOM 644 C ALA A 41 18.168 -6.110 -3.507 1.00 61.40 C ATOM 645 O ALA A 41 19.297 -6.320 -3.951 1.00 20.20 O ATOM 646 CB ALA A 41 18.648 -5.417 -1.152 1.00 42.44 C ATOM 0 H ALA A 41 18.856 -8.190 -2.215 1.00 31.23 H new ATOM 0 HA ALA A 41 16.786 -6.170 -1.886 1.00 63.22 H new ATOM 0 HB1 ALA A 41 18.438 -4.386 -1.436 1.00 42.44 H new ATOM 0 HB2 ALA A 41 18.368 -5.570 -0.110 1.00 42.44 H new ATOM 0 HB3 ALA A 41 19.712 -5.617 -1.275 1.00 42.44 H new ATOM 652 N ARG A 42 17.167 -5.661 -4.257 1.00 62.32 N ATOM 653 CA ARG A 42 17.342 -5.384 -5.678 1.00 10.12 C ATOM 654 C ARG A 42 16.357 -4.318 -6.149 1.00 33.21 C ATOM 655 O ARG A 42 15.293 -4.136 -5.556 1.00 24.03 O ATOM 656 CB ARG A 42 17.156 -6.663 -6.496 1.00 34.24 C ATOM 657 CG ARG A 42 18.463 -7.287 -6.957 1.00 13.00 C ATOM 658 CD ARG A 42 19.239 -6.346 -7.865 1.00 1.12 C ATOM 659 NE ARG A 42 20.273 -7.046 -8.622 1.00 44.52 N ATOM 660 CZ ARG A 42 20.934 -6.502 -9.639 1.00 20.53 C ATOM 661 NH1 ARG A 42 20.670 -5.260 -10.017 1.00 53.41 N ATOM 662 NH2 ARG A 42 21.862 -7.203 -10.279 1.00 13.04 N ATOM 0 H ARG A 42 16.227 -5.481 -3.905 1.00 62.32 H new ATOM 0 HA ARG A 42 18.355 -5.010 -5.828 1.00 10.12 H new ATOM 0 HB2 ARG A 42 16.607 -7.390 -5.898 1.00 34.24 H new ATOM 0 HB3 ARG A 42 16.542 -6.440 -7.369 1.00 34.24 H new ATOM 0 HG2 ARG A 42 19.072 -7.542 -6.090 1.00 13.00 H new ATOM 0 HG3 ARG A 42 18.257 -8.217 -7.486 1.00 13.00 H new ATOM 0 HD2 ARG A 42 18.551 -5.859 -8.556 1.00 1.12 H new ATOM 0 HD3 ARG A 42 19.698 -5.560 -7.265 1.00 1.12 H new ATOM 0 HE ARG A 42 20.500 -8.004 -8.356 1.00 44.52 H new ATOM 0 HH11 ARG A 42 19.958 -4.718 -9.527 1.00 53.41 H new ATOM 0 HH12 ARG A 42 21.179 -4.845 -10.798 1.00 53.41 H new ATOM 0 HH21 ARG A 42 22.068 -8.159 -9.990 1.00 13.04 H new ATOM 0 HH22 ARG A 42 22.369 -6.785 -11.059 1.00 13.04 H new ATOM 676 N ASP A 43 16.718 -3.617 -7.218 1.00 21.22 N ATOM 677 CA ASP A 43 15.866 -2.570 -7.769 1.00 41.12 C ATOM 678 C ASP A 43 15.472 -2.891 -9.208 1.00 5.23 C ATOM 679 O ASP A 43 16.316 -2.904 -10.105 1.00 14.01 O ATOM 680 CB ASP A 43 16.581 -1.219 -7.712 1.00 53.21 C ATOM 681 CG ASP A 43 15.615 -0.051 -7.757 1.00 1.12 C ATOM 682 OD1 ASP A 43 14.946 0.125 -8.796 1.00 13.51 O ATOM 683 OD2 ASP A 43 15.530 0.687 -6.753 1.00 14.41 O ATOM 0 H ASP A 43 17.595 -3.755 -7.720 1.00 21.22 H new ATOM 0 HA ASP A 43 14.959 -2.518 -7.166 1.00 41.12 H new ATOM 0 HB2 ASP A 43 17.173 -1.163 -6.798 1.00 53.21 H new ATOM 0 HB3 ASP A 43 17.277 -1.144 -8.548 1.00 53.21 H new ATOM 688 N PHE A 44 14.187 -3.150 -9.420 1.00 74.11 N ATOM 689 CA PHE A 44 13.681 -3.473 -10.749 1.00 62.22 C ATOM 690 C PHE A 44 13.037 -2.251 -11.398 1.00 62.51 C ATOM 691 O PHE A 44 12.997 -1.171 -10.809 1.00 34.32 O ATOM 692 CB PHE A 44 12.667 -4.616 -10.668 1.00 51.05 C ATOM 693 CG PHE A 44 13.295 -5.979 -10.712 1.00 24.50 C ATOM 694 CD1 PHE A 44 14.400 -6.273 -9.929 1.00 43.23 C ATOM 695 CD2 PHE A 44 12.781 -6.968 -11.536 1.00 44.31 C ATOM 696 CE1 PHE A 44 14.981 -7.527 -9.967 1.00 11.34 C ATOM 697 CE2 PHE A 44 13.357 -8.223 -11.577 1.00 63.33 C ATOM 698 CZ PHE A 44 14.459 -8.503 -10.793 1.00 2.24 C ATOM 0 H PHE A 44 13.476 -3.143 -8.689 1.00 74.11 H new ATOM 0 HA PHE A 44 14.524 -3.787 -11.365 1.00 62.22 H new ATOM 0 HB2 PHE A 44 12.094 -4.518 -9.746 1.00 51.05 H new ATOM 0 HB3 PHE A 44 11.961 -4.523 -11.493 1.00 51.05 H new ATOM 0 HD1 PHE A 44 14.812 -5.513 -9.281 1.00 43.23 H new ATOM 0 HD2 PHE A 44 11.921 -6.755 -12.153 1.00 44.31 H new ATOM 0 HE1 PHE A 44 15.842 -7.743 -9.352 1.00 11.34 H new ATOM 0 HE2 PHE A 44 12.946 -8.985 -12.222 1.00 63.33 H new ATOM 0 HZ PHE A 44 14.912 -9.483 -10.826 1.00 2.24 H new ATOM 708 N ASP A 45 12.536 -2.431 -12.615 1.00 53.10 N ATOM 709 CA ASP A 45 11.893 -1.344 -13.345 1.00 31.30 C ATOM 710 C ASP A 45 10.522 -1.772 -13.860 1.00 41.10 C ATOM 711 O ASP A 45 9.546 -1.031 -13.744 1.00 71.14 O ATOM 712 CB ASP A 45 12.773 -0.895 -14.513 1.00 31.24 C ATOM 713 CG ASP A 45 12.484 0.530 -14.941 1.00 13.13 C ATOM 714 OD1 ASP A 45 11.306 0.839 -15.219 1.00 70.14 O ATOM 715 OD2 ASP A 45 13.435 1.337 -14.996 1.00 51.01 O ATOM 0 H ASP A 45 12.563 -3.319 -13.117 1.00 53.10 H new ATOM 0 HA ASP A 45 11.759 -0.508 -12.659 1.00 31.30 H new ATOM 0 HB2 ASP A 45 13.822 -0.980 -14.228 1.00 31.24 H new ATOM 0 HB3 ASP A 45 12.618 -1.564 -15.359 1.00 31.24 H new ATOM 720 N SER A 46 10.457 -2.971 -14.430 1.00 23.13 N ATOM 721 CA SER A 46 9.207 -3.495 -14.967 1.00 62.41 C ATOM 722 C SER A 46 8.715 -4.680 -14.141 1.00 10.32 C ATOM 723 O SER A 46 9.498 -5.351 -13.468 1.00 33.40 O ATOM 724 CB SER A 46 9.392 -3.918 -16.426 1.00 23.53 C ATOM 725 OG SER A 46 8.310 -3.477 -17.226 1.00 54.31 O ATOM 0 H SER A 46 11.255 -3.598 -14.532 1.00 23.13 H new ATOM 0 HA SER A 46 8.459 -2.704 -14.917 1.00 62.41 H new ATOM 0 HB2 SER A 46 10.325 -3.506 -16.812 1.00 23.53 H new ATOM 0 HB3 SER A 46 9.474 -5.003 -16.486 1.00 23.53 H new ATOM 0 HG SER A 46 8.453 -3.758 -18.154 1.00 54.31 H new ATOM 731 N THR A 47 7.411 -4.931 -14.196 1.00 55.42 N ATOM 732 CA THR A 47 6.812 -6.032 -13.453 1.00 72.11 C ATOM 733 C THR A 47 7.100 -7.370 -14.125 1.00 50.42 C ATOM 734 O THR A 47 7.363 -8.367 -13.454 1.00 75.24 O ATOM 735 CB THR A 47 5.288 -5.856 -13.318 1.00 55.04 C ATOM 736 OG1 THR A 47 4.995 -4.643 -12.615 1.00 73.43 O ATOM 737 CG2 THR A 47 4.669 -7.036 -12.584 1.00 2.01 C ATOM 0 H THR A 47 6.749 -4.386 -14.748 1.00 55.42 H new ATOM 0 HA THR A 47 7.260 -6.023 -12.460 1.00 72.11 H new ATOM 0 HB THR A 47 4.860 -5.807 -14.319 1.00 55.04 H new ATOM 0 HG1 THR A 47 4.024 -4.538 -12.535 1.00 73.43 H new ATOM 0 HG21 THR A 47 3.592 -6.889 -12.501 1.00 2.01 H new ATOM 0 HG22 THR A 47 4.868 -7.954 -13.137 1.00 2.01 H new ATOM 0 HG23 THR A 47 5.103 -7.112 -11.587 1.00 2.01 H new ATOM 745 N GLU A 48 7.050 -7.382 -15.454 1.00 34.35 N ATOM 746 CA GLU A 48 7.306 -8.599 -16.215 1.00 54.04 C ATOM 747 C GLU A 48 8.627 -9.236 -15.795 1.00 32.41 C ATOM 748 O GLU A 48 8.667 -10.401 -15.399 1.00 71.04 O ATOM 749 CB GLU A 48 7.329 -8.293 -17.714 1.00 75.25 C ATOM 750 CG GLU A 48 7.308 -9.535 -18.589 1.00 62.34 C ATOM 751 CD GLU A 48 6.997 -9.222 -20.040 1.00 71.00 C ATOM 752 OE1 GLU A 48 7.678 -8.348 -20.617 1.00 35.02 O ATOM 753 OE2 GLU A 48 6.073 -9.850 -20.598 1.00 62.02 O ATOM 0 H GLU A 48 6.835 -6.564 -16.024 1.00 34.35 H new ATOM 0 HA GLU A 48 6.501 -9.304 -16.007 1.00 54.04 H new ATOM 0 HB2 GLU A 48 6.470 -7.669 -17.962 1.00 75.25 H new ATOM 0 HB3 GLU A 48 8.222 -7.712 -17.944 1.00 75.25 H new ATOM 0 HG2 GLU A 48 8.275 -10.034 -18.528 1.00 62.34 H new ATOM 0 HG3 GLU A 48 6.564 -10.233 -18.204 1.00 62.34 H new ATOM 760 N GLN A 49 9.705 -8.464 -15.884 1.00 54.15 N ATOM 761 CA GLN A 49 11.027 -8.953 -15.515 1.00 25.33 C ATOM 762 C GLN A 49 11.032 -9.483 -14.085 1.00 33.24 C ATOM 763 O GLN A 49 11.852 -10.330 -13.728 1.00 34.34 O ATOM 764 CB GLN A 49 12.066 -7.840 -15.662 1.00 11.33 C ATOM 765 CG GLN A 49 11.654 -6.533 -15.002 1.00 65.32 C ATOM 766 CD GLN A 49 12.817 -5.577 -14.826 1.00 44.13 C ATOM 767 OE1 GLN A 49 12.746 -4.414 -15.225 1.00 72.24 O ATOM 768 NE2 GLN A 49 13.898 -6.062 -14.226 1.00 32.21 N ATOM 0 H GLN A 49 9.688 -7.497 -16.209 1.00 54.15 H new ATOM 0 HA GLN A 49 11.284 -9.771 -16.188 1.00 25.33 H new ATOM 0 HB2 GLN A 49 13.009 -8.175 -15.229 1.00 11.33 H new ATOM 0 HB3 GLN A 49 12.247 -7.661 -16.722 1.00 11.33 H new ATOM 0 HG2 GLN A 49 10.882 -6.054 -15.604 1.00 65.32 H new ATOM 0 HG3 GLN A 49 11.212 -6.745 -14.028 1.00 65.32 H new ATOM 0 HE21 GLN A 49 13.914 -7.032 -13.911 1.00 32.21 H new ATOM 0 HE22 GLN A 49 14.712 -5.465 -14.080 1.00 32.21 H new ATOM 777 N LEU A 50 10.112 -8.979 -13.270 1.00 33.23 N ATOM 778 CA LEU A 50 10.009 -9.402 -11.877 1.00 41.41 C ATOM 779 C LEU A 50 9.505 -10.838 -11.779 1.00 64.04 C ATOM 780 O LEU A 50 10.209 -11.720 -11.288 1.00 12.12 O ATOM 781 CB LEU A 50 9.073 -8.468 -11.108 1.00 4.52 C ATOM 782 CG LEU A 50 9.340 -8.336 -9.608 1.00 21.41 C ATOM 783 CD1 LEU A 50 8.530 -7.192 -9.020 1.00 10.42 C ATOM 784 CD2 LEU A 50 9.020 -9.641 -8.893 1.00 72.12 C ATOM 0 H LEU A 50 9.427 -8.277 -13.549 1.00 33.23 H new ATOM 0 HA LEU A 50 11.004 -9.355 -11.435 1.00 41.41 H new ATOM 0 HB2 LEU A 50 9.133 -7.476 -11.556 1.00 4.52 H new ATOM 0 HB3 LEU A 50 8.050 -8.818 -11.245 1.00 4.52 H new ATOM 0 HG LEU A 50 10.398 -8.116 -9.465 1.00 21.41 H new ATOM 0 HD11 LEU A 50 8.733 -7.114 -7.952 1.00 10.42 H new ATOM 0 HD12 LEU A 50 8.807 -6.260 -9.512 1.00 10.42 H new ATOM 0 HD13 LEU A 50 7.468 -7.381 -9.174 1.00 10.42 H new ATOM 0 HD21 LEU A 50 9.216 -9.529 -7.827 1.00 72.12 H new ATOM 0 HD22 LEU A 50 7.970 -9.891 -9.045 1.00 72.12 H new ATOM 0 HD23 LEU A 50 9.645 -10.439 -9.295 1.00 72.12 H new ATOM 796 N GLU A 51 8.284 -11.065 -12.253 1.00 22.00 N ATOM 797 CA GLU A 51 7.688 -12.395 -12.220 1.00 32.22 C ATOM 798 C GLU A 51 8.492 -13.374 -13.070 1.00 45.35 C ATOM 799 O GLU A 51 8.520 -14.573 -12.797 1.00 24.54 O ATOM 800 CB GLU A 51 6.241 -12.342 -12.715 1.00 31.21 C ATOM 801 CG GLU A 51 6.074 -11.599 -14.030 1.00 24.13 C ATOM 802 CD GLU A 51 4.889 -12.095 -14.834 1.00 73.22 C ATOM 803 OE1 GLU A 51 3.846 -12.407 -14.222 1.00 31.43 O ATOM 804 OE2 GLU A 51 5.003 -12.172 -16.075 1.00 41.32 O ATOM 0 H GLU A 51 7.689 -10.346 -12.664 1.00 22.00 H new ATOM 0 HA GLU A 51 7.699 -12.744 -11.187 1.00 32.22 H new ATOM 0 HB2 GLU A 51 5.869 -13.360 -12.833 1.00 31.21 H new ATOM 0 HB3 GLU A 51 5.623 -11.862 -11.956 1.00 31.21 H new ATOM 0 HG2 GLU A 51 5.952 -10.535 -13.829 1.00 24.13 H new ATOM 0 HG3 GLU A 51 6.982 -11.709 -14.623 1.00 24.13 H new ATOM 811 N SER A 52 9.145 -12.852 -14.104 1.00 44.10 N ATOM 812 CA SER A 52 9.947 -13.679 -14.998 1.00 43.00 C ATOM 813 C SER A 52 11.265 -14.073 -14.338 1.00 30.03 C ATOM 814 O SER A 52 11.869 -15.087 -14.689 1.00 11.51 O ATOM 815 CB SER A 52 10.222 -12.935 -16.306 1.00 51.13 C ATOM 816 OG SER A 52 11.036 -13.708 -17.171 1.00 53.35 O ATOM 0 H SER A 52 9.134 -11.860 -14.343 1.00 44.10 H new ATOM 0 HA SER A 52 9.384 -14.586 -15.215 1.00 43.00 H new ATOM 0 HB2 SER A 52 9.279 -12.702 -16.801 1.00 51.13 H new ATOM 0 HB3 SER A 52 10.713 -11.986 -16.092 1.00 51.13 H new ATOM 0 HG SER A 52 11.196 -13.211 -18.000 1.00 53.35 H new ATOM 822 N TRP A 53 11.704 -13.265 -13.380 1.00 10.31 N ATOM 823 CA TRP A 53 12.950 -13.528 -12.669 1.00 43.05 C ATOM 824 C TRP A 53 12.804 -14.727 -11.739 1.00 53.10 C ATOM 825 O TRP A 53 13.633 -15.637 -11.747 1.00 43.45 O ATOM 826 CB TRP A 53 13.376 -12.295 -11.870 1.00 71.40 C ATOM 827 CG TRP A 53 14.200 -12.626 -10.662 1.00 54.03 C ATOM 828 CD1 TRP A 53 13.920 -12.301 -9.366 1.00 30.14 C ATOM 829 CD2 TRP A 53 15.438 -13.344 -10.640 1.00 70.10 C ATOM 830 NE1 TRP A 53 14.910 -12.774 -8.539 1.00 21.15 N ATOM 831 CE2 TRP A 53 15.852 -13.418 -9.296 1.00 24.32 C ATOM 832 CE3 TRP A 53 16.236 -13.933 -11.624 1.00 70.42 C ATOM 833 CZ2 TRP A 53 17.029 -14.057 -8.914 1.00 43.12 C ATOM 834 CZ3 TRP A 53 17.404 -14.567 -11.244 1.00 11.51 C ATOM 835 CH2 TRP A 53 17.791 -14.625 -9.899 1.00 23.14 C ATOM 0 H TRP A 53 11.216 -12.422 -13.077 1.00 10.31 H new ATOM 0 HA TRP A 53 13.719 -13.757 -13.407 1.00 43.05 H new ATOM 0 HB2 TRP A 53 13.946 -11.630 -12.519 1.00 71.40 H new ATOM 0 HB3 TRP A 53 12.486 -11.749 -11.556 1.00 71.40 H new ATOM 0 HD1 TRP A 53 13.049 -11.753 -9.039 1.00 30.14 H new ATOM 0 HE1 TRP A 53 14.939 -12.663 -7.525 1.00 21.15 H new ATOM 0 HE3 TRP A 53 15.945 -13.894 -12.663 1.00 70.42 H new ATOM 0 HZ2 TRP A 53 17.330 -14.103 -7.878 1.00 43.12 H new ATOM 0 HZ3 TRP A 53 18.029 -15.025 -11.997 1.00 11.51 H new ATOM 0 HH2 TRP A 53 18.709 -15.128 -9.634 1.00 23.14 H new ATOM 846 N PHE A 54 11.744 -14.722 -10.938 1.00 33.45 N ATOM 847 CA PHE A 54 11.489 -15.810 -10.000 1.00 64.22 C ATOM 848 C PHE A 54 10.997 -17.055 -10.732 1.00 60.15 C ATOM 849 O PHE A 54 10.852 -18.123 -10.136 1.00 52.43 O ATOM 850 CB PHE A 54 10.460 -15.380 -8.954 1.00 14.43 C ATOM 851 CG PHE A 54 10.093 -16.471 -7.989 1.00 5.34 C ATOM 852 CD1 PHE A 54 10.996 -16.895 -7.027 1.00 1.22 C ATOM 853 CD2 PHE A 54 8.847 -17.073 -8.044 1.00 13.23 C ATOM 854 CE1 PHE A 54 10.662 -17.898 -6.137 1.00 23.41 C ATOM 855 CE2 PHE A 54 8.507 -18.076 -7.156 1.00 61.43 C ATOM 856 CZ PHE A 54 9.416 -18.491 -6.203 1.00 4.44 C ATOM 0 H PHE A 54 11.048 -13.977 -10.919 1.00 33.45 H new ATOM 0 HA PHE A 54 12.427 -16.051 -9.499 1.00 64.22 H new ATOM 0 HB2 PHE A 54 10.854 -14.530 -8.396 1.00 14.43 H new ATOM 0 HB3 PHE A 54 9.559 -15.037 -9.462 1.00 14.43 H new ATOM 0 HD1 PHE A 54 11.972 -16.436 -6.972 1.00 1.22 H new ATOM 0 HD2 PHE A 54 8.133 -16.755 -8.789 1.00 13.23 H new ATOM 0 HE1 PHE A 54 11.374 -18.218 -5.391 1.00 23.41 H new ATOM 0 HE2 PHE A 54 7.531 -18.535 -7.207 1.00 61.43 H new ATOM 0 HZ PHE A 54 9.153 -19.277 -5.511 1.00 4.44 H new ATOM 866 N TYR A 55 10.741 -16.910 -12.028 1.00 4.42 N ATOM 867 CA TYR A 55 10.262 -18.020 -12.842 1.00 24.53 C ATOM 868 C TYR A 55 11.368 -18.544 -13.754 1.00 55.42 C ATOM 869 O TYR A 55 11.324 -19.686 -14.209 1.00 4.04 O ATOM 870 CB TYR A 55 9.058 -17.585 -13.679 1.00 3.05 C ATOM 871 CG TYR A 55 8.702 -18.558 -14.779 1.00 62.25 C ATOM 872 CD1 TYR A 55 9.306 -18.477 -16.028 1.00 2.10 C ATOM 873 CD2 TYR A 55 7.762 -19.560 -14.571 1.00 0.14 C ATOM 874 CE1 TYR A 55 8.983 -19.364 -17.037 1.00 1.42 C ATOM 875 CE2 TYR A 55 7.434 -20.452 -15.573 1.00 51.12 C ATOM 876 CZ TYR A 55 8.047 -20.349 -16.805 1.00 33.34 C ATOM 877 OH TYR A 55 7.723 -21.235 -17.807 1.00 22.35 O ATOM 0 H TYR A 55 10.858 -16.034 -12.537 1.00 4.42 H new ATOM 0 HA TYR A 55 9.958 -18.824 -12.172 1.00 24.53 H new ATOM 0 HB2 TYR A 55 8.196 -17.460 -13.023 1.00 3.05 H new ATOM 0 HB3 TYR A 55 9.266 -16.611 -14.121 1.00 3.05 H new ATOM 0 HD1 TYR A 55 10.041 -17.707 -16.213 1.00 2.10 H new ATOM 0 HD2 TYR A 55 7.279 -19.643 -13.608 1.00 0.14 H new ATOM 0 HE1 TYR A 55 9.461 -19.286 -18.002 1.00 1.42 H new ATOM 0 HE2 TYR A 55 6.702 -21.226 -15.393 1.00 51.12 H new ATOM 0 HH TYR A 55 7.048 -21.866 -17.480 1.00 22.35 H new ATOM 887 N GLY A 56 12.359 -17.697 -14.018 1.00 32.35 N ATOM 888 CA GLY A 56 13.462 -18.091 -14.874 1.00 4.13 C ATOM 889 C GLY A 56 14.634 -18.649 -14.090 1.00 51.40 C ATOM 890 O GLY A 56 15.792 -18.433 -14.452 1.00 35.14 O ATOM 0 H GLY A 56 12.417 -16.746 -13.654 1.00 32.35 H new ATOM 0 HA2 GLY A 56 13.116 -18.840 -15.586 1.00 4.13 H new ATOM 0 HA3 GLY A 56 13.794 -17.230 -15.454 1.00 4.13 H new ATOM 894 N LEU A 57 14.335 -19.366 -13.013 1.00 30.12 N ATOM 895 CA LEU A 57 15.373 -19.956 -12.174 1.00 13.41 C ATOM 896 C LEU A 57 15.386 -21.475 -12.310 1.00 54.32 C ATOM 897 O LEU A 57 14.400 -22.095 -12.709 1.00 34.25 O ATOM 898 CB LEU A 57 15.156 -19.565 -10.711 1.00 22.22 C ATOM 899 CG LEU A 57 15.662 -18.181 -10.304 1.00 10.24 C ATOM 900 CD1 LEU A 57 14.884 -17.660 -9.105 1.00 42.41 C ATOM 901 CD2 LEU A 57 17.152 -18.226 -9.996 1.00 74.41 C ATOM 0 H LEU A 57 13.383 -19.553 -12.700 1.00 30.12 H new ATOM 0 HA LEU A 57 16.337 -19.572 -12.508 1.00 13.41 H new ATOM 0 HB2 LEU A 57 14.089 -19.617 -10.496 1.00 22.22 H new ATOM 0 HB3 LEU A 57 15.645 -20.308 -10.081 1.00 22.22 H new ATOM 0 HG LEU A 57 15.505 -17.498 -11.139 1.00 10.24 H new ATOM 0 HD11 LEU A 57 15.258 -16.674 -8.829 1.00 42.41 H new ATOM 0 HD12 LEU A 57 13.827 -17.589 -9.360 1.00 42.41 H new ATOM 0 HD13 LEU A 57 15.009 -18.343 -8.265 1.00 42.41 H new ATOM 0 HD21 LEU A 57 17.494 -17.232 -9.708 1.00 74.41 H new ATOM 0 HD22 LEU A 57 17.334 -18.923 -9.178 1.00 74.41 H new ATOM 0 HD23 LEU A 57 17.697 -18.555 -10.881 1.00 74.41 H new ATOM 913 N PRO A 58 16.528 -22.090 -11.970 1.00 72.00 N ATOM 914 CA PRO A 58 16.696 -23.544 -12.043 1.00 72.44 C ATOM 915 C PRO A 58 15.873 -24.277 -10.989 1.00 53.03 C ATOM 916 O PRO A 58 15.180 -25.247 -11.293 1.00 32.24 O ATOM 917 CB PRO A 58 18.192 -23.742 -11.786 1.00 73.22 C ATOM 918 CG PRO A 58 18.602 -22.547 -10.998 1.00 12.34 C ATOM 919 CD PRO A 58 17.743 -21.413 -11.487 1.00 22.30 C ATOM 0 HA PRO A 58 16.357 -23.945 -12.998 1.00 72.44 H new ATOM 0 HB2 PRO A 58 18.380 -24.663 -11.235 1.00 73.22 H new ATOM 0 HB3 PRO A 58 18.749 -23.810 -12.721 1.00 73.22 H new ATOM 0 HG2 PRO A 58 18.456 -22.715 -9.931 1.00 12.34 H new ATOM 0 HG3 PRO A 58 19.659 -22.327 -11.145 1.00 12.34 H new ATOM 0 HD2 PRO A 58 17.519 -20.706 -10.689 1.00 22.30 H new ATOM 0 HD3 PRO A 58 18.233 -20.851 -12.282 1.00 22.30 H new ATOM 927 N GLY A 59 15.953 -23.805 -9.749 1.00 24.33 N ATOM 928 CA GLY A 59 15.210 -24.428 -8.669 1.00 4.34 C ATOM 929 C GLY A 59 13.737 -24.580 -8.991 1.00 0.11 C ATOM 930 O GLY A 59 13.262 -24.077 -10.009 1.00 63.33 O ATOM 0 H GLY A 59 16.519 -23.003 -9.473 1.00 24.33 H new ATOM 0 HA2 GLY A 59 15.636 -25.409 -8.458 1.00 4.34 H new ATOM 0 HA3 GLY A 59 15.321 -23.831 -7.764 1.00 4.34 H new ATOM 934 N SER A 60 13.012 -25.276 -8.122 1.00 34.52 N ATOM 935 CA SER A 60 11.584 -25.498 -8.322 1.00 23.31 C ATOM 936 C SER A 60 10.789 -25.057 -7.097 1.00 20.21 C ATOM 937 O SER A 60 10.028 -25.835 -6.524 1.00 33.32 O ATOM 938 CB SER A 60 11.313 -26.975 -8.616 1.00 15.11 C ATOM 939 OG SER A 60 11.826 -27.345 -9.884 1.00 34.32 O ATOM 0 H SER A 60 13.389 -25.696 -7.273 1.00 34.52 H new ATOM 0 HA SER A 60 11.264 -24.900 -9.175 1.00 23.31 H new ATOM 0 HB2 SER A 60 11.768 -27.593 -7.842 1.00 15.11 H new ATOM 0 HB3 SER A 60 10.240 -27.164 -8.585 1.00 15.11 H new ATOM 0 HG SER A 60 11.642 -28.294 -10.047 1.00 34.32 H new ATOM 945 N GLY A 61 10.972 -23.801 -6.701 1.00 22.12 N ATOM 946 CA GLY A 61 10.266 -23.277 -5.547 1.00 1.25 C ATOM 947 C GLY A 61 11.083 -23.375 -4.273 1.00 50.44 C ATOM 948 O GLY A 61 12.005 -22.587 -4.056 1.00 53.12 O ATOM 0 H GLY A 61 11.597 -23.137 -7.159 1.00 22.12 H new ATOM 0 HA2 GLY A 61 10.004 -22.234 -5.728 1.00 1.25 H new ATOM 0 HA3 GLY A 61 9.331 -23.823 -5.418 1.00 1.25 H new ATOM 952 N LEU A 62 10.745 -24.342 -3.428 1.00 72.13 N ATOM 953 CA LEU A 62 11.453 -24.539 -2.168 1.00 72.42 C ATOM 954 C LEU A 62 12.958 -24.626 -2.397 1.00 43.32 C ATOM 955 O LEU A 62 13.750 -24.345 -1.499 1.00 23.14 O ATOM 956 CB LEU A 62 10.957 -25.810 -1.475 1.00 41.05 C ATOM 957 CG LEU A 62 10.997 -25.800 0.053 1.00 24.51 C ATOM 958 CD1 LEU A 62 9.588 -25.808 0.624 1.00 20.43 C ATOM 959 CD2 LEU A 62 11.792 -26.989 0.573 1.00 23.40 C ATOM 0 H LEU A 62 9.985 -25.002 -3.592 1.00 72.13 H new ATOM 0 HA LEU A 62 11.250 -23.680 -1.528 1.00 72.42 H new ATOM 0 HB2 LEU A 62 9.930 -25.995 -1.790 1.00 41.05 H new ATOM 0 HB3 LEU A 62 11.555 -26.650 -1.829 1.00 41.05 H new ATOM 0 HG LEU A 62 11.493 -24.886 0.379 1.00 24.51 H new ATOM 0 HD11 LEU A 62 9.637 -25.801 1.713 1.00 20.43 H new ATOM 0 HD12 LEU A 62 9.051 -24.925 0.279 1.00 20.43 H new ATOM 0 HD13 LEU A 62 9.065 -26.704 0.290 1.00 20.43 H new ATOM 0 HD21 LEU A 62 11.810 -26.966 1.663 1.00 23.40 H new ATOM 0 HD22 LEU A 62 11.324 -27.914 0.237 1.00 23.40 H new ATOM 0 HD23 LEU A 62 12.812 -26.939 0.192 1.00 23.40 H new ATOM 971 N GLY A 63 13.346 -25.014 -3.608 1.00 64.22 N ATOM 972 CA GLY A 63 14.756 -25.128 -3.934 1.00 71.44 C ATOM 973 C GLY A 63 15.334 -23.833 -4.470 1.00 73.52 C ATOM 974 O GLY A 63 16.407 -23.403 -4.048 1.00 30.13 O ATOM 0 H GLY A 63 12.710 -25.251 -4.369 1.00 64.22 H new ATOM 0 HA2 GLY A 63 15.309 -25.428 -3.043 1.00 71.44 H new ATOM 0 HA3 GLY A 63 14.892 -25.917 -4.674 1.00 71.44 H new ATOM 978 N ARG A 64 14.622 -23.211 -5.404 1.00 73.53 N ATOM 979 CA ARG A 64 15.072 -21.960 -6.001 1.00 12.43 C ATOM 980 C ARG A 64 15.158 -20.857 -4.950 1.00 2.33 C ATOM 981 O ARG A 64 15.799 -19.828 -5.167 1.00 23.03 O ATOM 982 CB ARG A 64 14.124 -21.535 -7.124 1.00 31.30 C ATOM 983 CG ARG A 64 12.803 -20.973 -6.626 1.00 14.11 C ATOM 984 CD ARG A 64 11.923 -20.515 -7.778 1.00 55.53 C ATOM 985 NE ARG A 64 11.644 -21.597 -8.719 1.00 3.25 N ATOM 986 CZ ARG A 64 10.598 -21.609 -9.537 1.00 11.33 C ATOM 987 NH1 ARG A 64 9.736 -20.601 -9.530 1.00 72.44 N ATOM 988 NH2 ARG A 64 10.412 -22.629 -10.364 1.00 25.40 N ATOM 0 H ARG A 64 13.731 -23.553 -5.764 1.00 73.53 H new ATOM 0 HA ARG A 64 16.067 -22.122 -6.416 1.00 12.43 H new ATOM 0 HB2 ARG A 64 14.619 -20.785 -7.741 1.00 31.30 H new ATOM 0 HB3 ARG A 64 13.925 -22.394 -7.765 1.00 31.30 H new ATOM 0 HG2 ARG A 64 12.279 -21.732 -6.046 1.00 14.11 H new ATOM 0 HG3 ARG A 64 12.993 -20.135 -5.956 1.00 14.11 H new ATOM 0 HD2 ARG A 64 10.984 -20.126 -7.384 1.00 55.53 H new ATOM 0 HD3 ARG A 64 12.412 -19.695 -8.304 1.00 55.53 H new ATOM 0 HE ARG A 64 12.288 -22.387 -8.749 1.00 3.25 H new ATOM 0 HH11 ARG A 64 9.876 -19.815 -8.896 1.00 72.44 H new ATOM 0 HH12 ARG A 64 8.933 -20.612 -10.159 1.00 72.44 H new ATOM 0 HH21 ARG A 64 11.073 -23.406 -10.372 1.00 25.40 H new ATOM 0 HH22 ARG A 64 9.608 -22.637 -10.992 1.00 25.40 H new ATOM 1002 N ILE A 65 14.508 -21.079 -3.812 1.00 45.41 N ATOM 1003 CA ILE A 65 14.513 -20.104 -2.728 1.00 74.21 C ATOM 1004 C ILE A 65 15.932 -19.657 -2.397 1.00 1.35 C ATOM 1005 O ILE A 65 16.156 -18.513 -2.002 1.00 42.24 O ATOM 1006 CB ILE A 65 13.856 -20.674 -1.457 1.00 13.42 C ATOM 1007 CG1 ILE A 65 12.375 -20.967 -1.709 1.00 3.32 C ATOM 1008 CG2 ILE A 65 14.019 -19.704 -0.296 1.00 42.42 C ATOM 1009 CD1 ILE A 65 11.478 -20.586 -0.552 1.00 4.32 C ATOM 0 H ILE A 65 13.972 -21.925 -3.617 1.00 45.41 H new ATOM 0 HA ILE A 65 13.936 -19.246 -3.072 1.00 74.21 H new ATOM 0 HB ILE A 65 14.353 -21.609 -1.197 1.00 13.42 H new ATOM 0 HG12 ILE A 65 12.053 -20.429 -2.600 1.00 3.32 H new ATOM 0 HG13 ILE A 65 12.254 -22.030 -1.918 1.00 3.32 H new ATOM 0 HG21 ILE A 65 13.550 -20.121 0.595 1.00 42.42 H new ATOM 0 HG22 ILE A 65 15.080 -19.540 -0.105 1.00 42.42 H new ATOM 0 HG23 ILE A 65 13.545 -18.755 -0.546 1.00 42.42 H new ATOM 0 HD11 ILE A 65 10.443 -20.822 -0.801 1.00 4.32 H new ATOM 0 HD12 ILE A 65 11.774 -21.144 0.337 1.00 4.32 H new ATOM 0 HD13 ILE A 65 11.570 -19.518 -0.357 1.00 4.32 H new ATOM 1021 N GLU A 66 16.887 -20.567 -2.561 1.00 3.40 N ATOM 1022 CA GLU A 66 18.286 -20.264 -2.280 1.00 32.42 C ATOM 1023 C GLU A 66 18.934 -19.542 -3.458 1.00 32.34 C ATOM 1024 O GLU A 66 19.809 -18.697 -3.275 1.00 54.35 O ATOM 1025 CB GLU A 66 19.056 -21.550 -1.969 1.00 51.42 C ATOM 1026 CG GLU A 66 19.262 -22.443 -3.180 1.00 62.45 C ATOM 1027 CD GLU A 66 19.294 -23.916 -2.820 1.00 72.03 C ATOM 1028 OE1 GLU A 66 18.309 -24.402 -2.225 1.00 1.31 O ATOM 1029 OE2 GLU A 66 20.302 -24.582 -3.133 1.00 63.51 O ATOM 0 H GLU A 66 16.718 -21.519 -2.887 1.00 3.40 H new ATOM 0 HA GLU A 66 18.322 -19.608 -1.410 1.00 32.42 H new ATOM 0 HB2 GLU A 66 20.028 -21.289 -1.551 1.00 51.42 H new ATOM 0 HB3 GLU A 66 18.519 -22.109 -1.203 1.00 51.42 H new ATOM 0 HG2 GLU A 66 18.461 -22.266 -3.898 1.00 62.45 H new ATOM 0 HG3 GLU A 66 20.197 -22.173 -3.671 1.00 62.45 H new ATOM 1036 N ASN A 67 18.498 -19.883 -4.666 1.00 34.42 N ATOM 1037 CA ASN A 67 19.035 -19.269 -5.874 1.00 44.02 C ATOM 1038 C ASN A 67 18.551 -17.829 -6.014 1.00 71.13 C ATOM 1039 O ASN A 67 19.352 -16.902 -6.125 1.00 3.23 O ATOM 1040 CB ASN A 67 18.628 -20.078 -7.107 1.00 63.13 C ATOM 1041 CG ASN A 67 18.999 -21.543 -6.986 1.00 24.53 C ATOM 1042 OD1 ASN A 67 18.189 -22.426 -7.269 1.00 21.01 O ATOM 1043 ND2 ASN A 67 20.230 -21.809 -6.562 1.00 53.12 N ATOM 0 H ASN A 67 17.774 -20.582 -4.834 1.00 34.42 H new ATOM 0 HA ASN A 67 20.122 -19.262 -5.795 1.00 44.02 H new ATOM 0 HB2 ASN A 67 17.552 -19.990 -7.257 1.00 63.13 H new ATOM 0 HB3 ASN A 67 19.109 -19.656 -7.990 1.00 63.13 H new ATOM 0 HD21 ASN A 67 20.536 -22.777 -6.460 1.00 53.12 H new ATOM 0 HD22 ASN A 67 20.869 -21.046 -6.339 1.00 53.12 H new ATOM 1050 N ALA A 68 17.234 -17.650 -6.008 1.00 70.53 N ATOM 1051 CA ALA A 68 16.642 -16.324 -6.132 1.00 24.01 C ATOM 1052 C ALA A 68 17.076 -15.420 -4.983 1.00 23.21 C ATOM 1053 O ALA A 68 17.096 -14.197 -5.116 1.00 71.05 O ATOM 1054 CB ALA A 68 15.125 -16.425 -6.182 1.00 61.42 C ATOM 0 H ALA A 68 16.557 -18.407 -5.919 1.00 70.53 H new ATOM 0 HA ALA A 68 16.996 -15.881 -7.063 1.00 24.01 H new ATOM 0 HB1 ALA A 68 14.697 -15.427 -6.275 1.00 61.42 H new ATOM 0 HB2 ALA A 68 14.829 -17.028 -7.040 1.00 61.42 H new ATOM 0 HB3 ALA A 68 14.761 -16.892 -5.267 1.00 61.42 H new ATOM 1060 N MET A 69 17.423 -16.031 -3.854 1.00 53.33 N ATOM 1061 CA MET A 69 17.857 -15.280 -2.682 1.00 13.21 C ATOM 1062 C MET A 69 19.340 -14.935 -2.775 1.00 72.25 C ATOM 1063 O MET A 69 19.722 -13.769 -2.688 1.00 60.23 O ATOM 1064 CB MET A 69 17.587 -16.082 -1.407 1.00 40.04 C ATOM 1065 CG MET A 69 18.154 -15.438 -0.153 1.00 12.14 C ATOM 1066 SD MET A 69 18.071 -16.524 1.284 1.00 70.41 S ATOM 1067 CE MET A 69 16.419 -17.194 1.107 1.00 1.13 C ATOM 0 H MET A 69 17.412 -17.043 -3.727 1.00 53.33 H new ATOM 0 HA MET A 69 17.288 -14.351 -2.646 1.00 13.21 H new ATOM 0 HB2 MET A 69 16.511 -16.206 -1.287 1.00 40.04 H new ATOM 0 HB3 MET A 69 18.013 -17.079 -1.518 1.00 40.04 H new ATOM 0 HG2 MET A 69 19.192 -15.157 -0.331 1.00 12.14 H new ATOM 0 HG3 MET A 69 17.606 -14.520 0.058 1.00 12.14 H new ATOM 0 HE1 MET A 69 16.130 -17.698 2.029 1.00 1.13 H new ATOM 0 HE2 MET A 69 15.718 -16.385 0.901 1.00 1.13 H new ATOM 0 HE3 MET A 69 16.402 -17.907 0.283 1.00 1.13 H new ATOM 1077 N ASN A 70 20.170 -15.958 -2.953 1.00 42.41 N ATOM 1078 CA ASN A 70 21.612 -15.762 -3.058 1.00 33.15 C ATOM 1079 C ASN A 70 21.952 -14.834 -4.220 1.00 21.31 C ATOM 1080 O ASN A 70 23.036 -14.253 -4.265 1.00 54.04 O ATOM 1081 CB ASN A 70 22.318 -17.107 -3.240 1.00 72.13 C ATOM 1082 CG ASN A 70 23.811 -17.015 -2.990 1.00 53.02 C ATOM 1083 OD1 ASN A 70 24.341 -15.937 -2.719 1.00 34.54 O ATOM 1084 ND2 ASN A 70 24.497 -18.148 -3.081 1.00 72.44 N ATOM 0 H ASN A 70 19.869 -16.930 -3.027 1.00 42.41 H new ATOM 0 HA ASN A 70 21.959 -15.299 -2.134 1.00 33.15 H new ATOM 0 HB2 ASN A 70 21.883 -17.838 -2.559 1.00 72.13 H new ATOM 0 HB3 ASN A 70 22.144 -17.472 -4.252 1.00 72.13 H new ATOM 0 HD21 ASN A 70 25.505 -18.148 -2.924 1.00 72.44 H new ATOM 0 HD22 ASN A 70 24.016 -19.018 -3.308 1.00 72.44 H new ATOM 1091 N GLU A 71 21.018 -14.701 -5.157 1.00 23.04 N ATOM 1092 CA GLU A 71 21.220 -13.844 -6.319 1.00 2.11 C ATOM 1093 C GLU A 71 20.840 -12.400 -6.003 1.00 24.12 C ATOM 1094 O GLU A 71 21.624 -11.478 -6.228 1.00 5.32 O ATOM 1095 CB GLU A 71 20.396 -14.352 -7.504 1.00 42.31 C ATOM 1096 CG GLU A 71 21.150 -15.323 -8.398 1.00 15.25 C ATOM 1097 CD GLU A 71 21.986 -16.312 -7.609 1.00 75.33 C ATOM 1098 OE1 GLU A 71 23.096 -15.938 -7.176 1.00 55.33 O ATOM 1099 OE2 GLU A 71 21.531 -17.461 -7.426 1.00 14.53 O ATOM 0 H GLU A 71 20.115 -15.175 -5.134 1.00 23.04 H new ATOM 0 HA GLU A 71 22.278 -13.874 -6.581 1.00 2.11 H new ATOM 0 HB2 GLU A 71 19.497 -14.841 -7.128 1.00 42.31 H new ATOM 0 HB3 GLU A 71 20.070 -13.500 -8.101 1.00 42.31 H new ATOM 0 HG2 GLU A 71 20.438 -15.868 -9.018 1.00 15.25 H new ATOM 0 HG3 GLU A 71 21.797 -14.763 -9.073 1.00 15.25 H new ATOM 1106 N ILE A 72 19.633 -12.213 -5.481 1.00 10.02 N ATOM 1107 CA ILE A 72 19.149 -10.883 -5.133 1.00 43.44 C ATOM 1108 C ILE A 72 19.930 -10.303 -3.959 1.00 31.34 C ATOM 1109 O ILE A 72 20.014 -9.086 -3.796 1.00 30.14 O ATOM 1110 CB ILE A 72 17.651 -10.903 -4.779 1.00 74.12 C ATOM 1111 CG1 ILE A 72 16.824 -11.344 -5.989 1.00 42.33 C ATOM 1112 CG2 ILE A 72 17.202 -9.532 -4.295 1.00 71.42 C ATOM 1113 CD1 ILE A 72 16.855 -10.355 -7.134 1.00 32.30 C ATOM 0 H ILE A 72 18.972 -12.966 -5.290 1.00 10.02 H new ATOM 0 HA ILE A 72 19.298 -10.254 -6.011 1.00 43.44 H new ATOM 0 HB ILE A 72 17.493 -11.620 -3.974 1.00 74.12 H new ATOM 0 HG12 ILE A 72 17.194 -12.307 -6.341 1.00 42.33 H new ATOM 0 HG13 ILE A 72 15.790 -11.495 -5.677 1.00 42.33 H new ATOM 0 HG21 ILE A 72 16.141 -9.563 -4.049 1.00 71.42 H new ATOM 0 HG22 ILE A 72 17.772 -9.254 -3.409 1.00 71.42 H new ATOM 0 HG23 ILE A 72 17.371 -8.795 -5.081 1.00 71.42 H new ATOM 0 HD11 ILE A 72 16.248 -10.732 -7.957 1.00 32.30 H new ATOM 0 HD12 ILE A 72 16.457 -9.397 -6.798 1.00 32.30 H new ATOM 0 HD13 ILE A 72 17.883 -10.222 -7.472 1.00 32.30 H new ATOM 1125 N SER A 73 20.501 -11.184 -3.143 1.00 43.21 N ATOM 1126 CA SER A 73 21.274 -10.760 -1.981 1.00 63.24 C ATOM 1127 C SER A 73 22.626 -10.194 -2.405 1.00 63.54 C ATOM 1128 O SER A 73 23.253 -9.435 -1.666 1.00 62.33 O ATOM 1129 CB SER A 73 21.478 -11.934 -1.022 1.00 62.52 C ATOM 1130 OG SER A 73 21.788 -11.479 0.283 1.00 11.33 O ATOM 0 H SER A 73 20.443 -12.195 -3.265 1.00 43.21 H new ATOM 0 HA SER A 73 20.715 -9.976 -1.470 1.00 63.24 H new ATOM 0 HB2 SER A 73 20.576 -12.545 -0.993 1.00 62.52 H new ATOM 0 HB3 SER A 73 22.282 -12.572 -1.389 1.00 62.52 H new ATOM 0 HG SER A 73 22.068 -12.238 0.836 1.00 11.33 H new ATOM 1136 N ARG A 74 23.069 -10.570 -3.601 1.00 23.33 N ATOM 1137 CA ARG A 74 24.347 -10.102 -4.124 1.00 22.33 C ATOM 1138 C ARG A 74 24.443 -8.582 -4.044 1.00 2.44 C ATOM 1139 O ARG A 74 25.487 -8.033 -3.690 1.00 22.55 O ATOM 1140 CB ARG A 74 24.528 -10.560 -5.572 1.00 50.12 C ATOM 1141 CG ARG A 74 24.836 -12.042 -5.709 1.00 22.03 C ATOM 1142 CD ARG A 74 26.330 -12.290 -5.849 1.00 10.21 C ATOM 1143 NE ARG A 74 26.871 -11.699 -7.070 1.00 54.11 N ATOM 1144 CZ ARG A 74 28.169 -11.518 -7.287 1.00 14.43 C ATOM 1145 NH1 ARG A 74 29.054 -11.880 -6.369 1.00 1.02 N ATOM 1146 NH2 ARG A 74 28.583 -10.973 -8.424 1.00 21.34 N ATOM 0 H ARG A 74 22.562 -11.197 -4.225 1.00 23.33 H new ATOM 0 HA ARG A 74 25.141 -10.531 -3.513 1.00 22.33 H new ATOM 0 HB2 ARG A 74 23.621 -10.333 -6.132 1.00 50.12 H new ATOM 0 HB3 ARG A 74 25.335 -9.986 -6.027 1.00 50.12 H new ATOM 0 HG2 ARG A 74 24.458 -12.575 -4.837 1.00 22.03 H new ATOM 0 HG3 ARG A 74 24.316 -12.444 -6.579 1.00 22.03 H new ATOM 0 HD2 ARG A 74 26.849 -11.875 -4.985 1.00 10.21 H new ATOM 0 HD3 ARG A 74 26.521 -13.363 -5.850 1.00 10.21 H new ATOM 0 HE ARG A 74 26.216 -11.409 -7.796 1.00 54.11 H new ATOM 0 HH11 ARG A 74 28.739 -12.299 -5.494 1.00 1.02 H new ATOM 0 HH12 ARG A 74 30.050 -11.740 -6.538 1.00 1.02 H new ATOM 0 HH21 ARG A 74 27.904 -10.693 -9.132 1.00 21.34 H new ATOM 0 HH22 ARG A 74 29.580 -10.834 -8.590 1.00 21.34 H new ATOM 1160 N ARG A 75 23.348 -7.906 -4.376 1.00 33.45 N ATOM 1161 CA ARG A 75 23.309 -6.449 -4.343 1.00 20.30 C ATOM 1162 C ARG A 75 22.783 -5.949 -3.001 1.00 34.31 C ATOM 1163 O ARG A 75 21.580 -5.983 -2.744 1.00 73.31 O ATOM 1164 CB ARG A 75 22.433 -5.916 -5.477 1.00 55.35 C ATOM 1165 CG ARG A 75 22.819 -4.521 -5.941 1.00 13.41 C ATOM 1166 CD ARG A 75 22.153 -3.448 -5.093 1.00 53.25 C ATOM 1167 NE ARG A 75 22.915 -2.202 -5.090 1.00 15.12 N ATOM 1168 CZ ARG A 75 22.883 -1.319 -6.081 1.00 45.53 C ATOM 1169 NH1 ARG A 75 22.132 -1.543 -7.150 1.00 51.03 N ATOM 1170 NH2 ARG A 75 23.605 -0.207 -6.005 1.00 31.54 N ATOM 0 H ARG A 75 22.476 -8.344 -4.671 1.00 33.45 H new ATOM 0 HA ARG A 75 24.326 -6.080 -4.475 1.00 20.30 H new ATOM 0 HB2 ARG A 75 22.493 -6.601 -6.323 1.00 55.35 H new ATOM 0 HB3 ARG A 75 21.394 -5.906 -5.148 1.00 55.35 H new ATOM 0 HG2 ARG A 75 23.902 -4.406 -5.891 1.00 13.41 H new ATOM 0 HG3 ARG A 75 22.533 -4.391 -6.985 1.00 13.41 H new ATOM 0 HD2 ARG A 75 21.149 -3.258 -5.472 1.00 53.25 H new ATOM 0 HD3 ARG A 75 22.045 -3.809 -4.070 1.00 53.25 H new ATOM 0 HE ARG A 75 23.504 -1.999 -4.282 1.00 15.12 H new ATOM 0 HH11 ARG A 75 21.576 -2.396 -7.213 1.00 51.03 H new ATOM 0 HH12 ARG A 75 22.110 -0.862 -7.909 1.00 51.03 H new ATOM 0 HH21 ARG A 75 24.185 -0.031 -5.185 1.00 31.54 H new ATOM 0 HH22 ARG A 75 23.580 0.471 -6.767 1.00 31.54 H new ATOM 1184 N GLU A 76 23.693 -5.486 -2.149 1.00 75.34 N ATOM 1185 CA GLU A 76 23.319 -4.981 -0.834 1.00 1.05 C ATOM 1186 C GLU A 76 23.754 -3.528 -0.665 1.00 40.02 C ATOM 1187 O GLU A 76 24.946 -3.223 -0.653 1.00 32.41 O ATOM 1188 CB GLU A 76 23.945 -5.843 0.265 1.00 43.31 C ATOM 1189 CG GLU A 76 25.411 -6.163 0.026 1.00 3.40 C ATOM 1190 CD GLU A 76 26.171 -6.412 1.314 1.00 5.32 C ATOM 1191 OE1 GLU A 76 25.679 -7.195 2.153 1.00 55.42 O ATOM 1192 OE2 GLU A 76 27.260 -5.823 1.483 1.00 21.32 O ATOM 0 H GLU A 76 24.693 -5.450 -2.346 1.00 75.34 H new ATOM 0 HA GLU A 76 22.233 -5.029 -0.750 1.00 1.05 H new ATOM 0 HB2 GLU A 76 23.845 -5.328 1.220 1.00 43.31 H new ATOM 0 HB3 GLU A 76 23.387 -6.776 0.346 1.00 43.31 H new ATOM 0 HG2 GLU A 76 25.488 -7.043 -0.613 1.00 3.40 H new ATOM 0 HG3 GLU A 76 25.876 -5.337 -0.512 1.00 3.40 H new ATOM 1199 N ASN A 77 22.778 -2.635 -0.536 1.00 73.35 N ATOM 1200 CA ASN A 77 23.059 -1.214 -0.370 1.00 52.01 C ATOM 1201 C ASN A 77 23.782 -0.953 0.948 1.00 63.15 C ATOM 1202 O ASN A 77 24.904 -0.447 0.979 1.00 41.43 O ATOM 1203 CB ASN A 77 21.760 -0.407 -0.420 1.00 50.21 C ATOM 1204 CG ASN A 77 21.522 0.223 -1.779 1.00 63.42 C ATOM 1205 OD1 ASN A 77 22.424 0.823 -2.364 1.00 63.40 O ATOM 1206 ND2 ASN A 77 20.303 0.088 -2.288 1.00 42.13 N ATOM 0 H ASN A 77 21.786 -2.871 -0.543 1.00 73.35 H new ATOM 0 HA ASN A 77 23.707 -0.899 -1.188 1.00 52.01 H new ATOM 0 HB2 ASN A 77 20.921 -1.058 -0.173 1.00 50.21 H new ATOM 0 HB3 ASN A 77 21.792 0.375 0.339 1.00 50.21 H new ATOM 0 HD21 ASN A 77 20.083 0.490 -3.199 1.00 42.13 H new ATOM 0 HD22 ASN A 77 19.586 -0.418 -1.768 1.00 42.13 H new ATOM 1213 N PRO A 78 23.127 -1.307 2.063 1.00 72.42 N ATOM 1214 CA PRO A 78 23.689 -1.122 3.404 1.00 72.30 C ATOM 1215 C PRO A 78 24.859 -2.061 3.677 1.00 43.24 C ATOM 1216 O PRO A 78 25.626 -2.391 2.772 1.00 71.51 O ATOM 1217 CB PRO A 78 22.514 -1.450 4.329 1.00 1.01 C ATOM 1218 CG PRO A 78 21.645 -2.359 3.530 1.00 0.15 C ATOM 1219 CD PRO A 78 21.787 -1.916 2.100 1.00 34.43 C ATOM 0 HA PRO A 78 24.092 -0.119 3.542 1.00 72.30 H new ATOM 0 HB2 PRO A 78 22.854 -1.932 5.245 1.00 1.01 H new ATOM 0 HB3 PRO A 78 21.978 -0.548 4.623 1.00 1.01 H new ATOM 0 HG2 PRO A 78 21.953 -3.398 3.649 1.00 0.15 H new ATOM 0 HG3 PRO A 78 20.607 -2.295 3.857 1.00 0.15 H new ATOM 0 HD2 PRO A 78 21.708 -2.756 1.409 1.00 34.43 H new ATOM 0 HD3 PRO A 78 21.013 -1.201 1.822 1.00 34.43 H new TER 1227 PRO A 78