USER MOD reduce.3.24.130724 H: found=0, std=0, add=805, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 805 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 6 CYS SG : rot -68:sc= 0.576 USER MOD Set 1.2: A 26 GLN : amide:sc= 0.999 K(o=1.6,f=-1.6!) USER MOD Single : A 1 SER N :NH3+ -167:sc= -0.0334 (180deg=-0.204) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 152:sc= 1.24 (180deg=1.04) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 40 ASN : amide:sc= 0.868 K(o=0.87,f=-4.2!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc=-0.00258 K(o=-0.0026,f=-1.3) USER MOD Single : A 51 LYS NZ :NH3+ -137:sc= 0.0334 (180deg=-0.181) USER MOD Single : A 59 GLN : amide:sc= -3.77! K(o=-3.8!,f=-2) USER MOD Single : A 62 SER OG : rot -100:sc= -0.438 USER MOD Single : A 72 ASN : amide:sc= -0.312 K(o=-0.31,f=-0.88) USER MOD Single : A 84 TYR OH : rot 30:sc= -3.04! USER MOD Single : A 85 GLN : amide:sc= -4.99! K(o=-5!,f=-1.4) USER MOD Single : A 87 GLN : amide:sc= -4.98 K(o=-5,f=-1.7) USER MOD Single : A 89 GLN : amide:sc= -0.512 X(o=-0.51,f=-0.49) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot -51:sc= 0.16 USER MOD Single : A 99 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 13.611 -8.014 8.689 1.00 5.35 N ATOM 2 CA SER A 1 14.481 -6.850 8.966 1.00 4.89 C ATOM 3 C SER A 1 14.875 -6.139 7.672 1.00 4.07 C ATOM 4 O SER A 1 15.035 -4.915 7.660 1.00 4.19 O ATOM 5 CB SER A 1 15.732 -7.312 9.711 1.00 5.38 C ATOM 6 OG SER A 1 15.388 -8.038 10.879 1.00 5.96 O ATOM 0 H1 SER A 1 13.181 -8.345 9.576 1.00 5.35 H new ATOM 0 H2 SER A 1 12.862 -7.737 8.023 1.00 5.35 H new ATOM 0 H3 SER A 1 14.178 -8.780 8.272 1.00 5.35 H new ATOM 0 HA SER A 1 13.928 -6.143 9.585 1.00 4.89 H new ATOM 0 HB2 SER A 1 16.340 -7.936 9.056 1.00 5.38 H new ATOM 0 HB3 SER A 1 16.339 -6.448 9.981 1.00 5.38 H new ATOM 0 HG SER A 1 16.205 -8.325 11.338 1.00 5.96 H new ATOM 14 N ALA A 2 15.029 -6.923 6.597 1.00 3.54 N ATOM 15 CA ALA A 2 15.421 -6.420 5.276 1.00 2.75 C ATOM 16 C ALA A 2 16.895 -6.037 5.241 1.00 2.55 C ATOM 17 O ALA A 2 17.467 -5.607 6.245 1.00 2.81 O ATOM 18 CB ALA A 2 14.555 -5.244 4.839 1.00 2.31 C ATOM 0 H ALA A 2 14.884 -7.932 6.621 1.00 3.54 H new ATOM 0 HA ALA A 2 15.263 -7.234 4.569 1.00 2.75 H new ATOM 0 HB1 ALA A 2 14.877 -4.900 3.856 1.00 2.31 H new ATOM 0 HB2 ALA A 2 13.512 -5.558 4.790 1.00 2.31 H new ATOM 0 HB3 ALA A 2 14.655 -4.431 5.558 1.00 2.31 H new ATOM 24 N ALA A 3 17.505 -6.205 4.079 1.00 2.36 N ATOM 25 CA ALA A 3 18.909 -5.874 3.902 1.00 2.24 C ATOM 26 C ALA A 3 19.112 -4.356 3.818 1.00 1.58 C ATOM 27 O ALA A 3 19.901 -3.804 4.585 1.00 2.00 O ATOM 28 CB ALA A 3 19.484 -6.586 2.682 1.00 2.41 C ATOM 0 H ALA A 3 17.049 -6.569 3.243 1.00 2.36 H new ATOM 0 HA ALA A 3 19.454 -6.226 4.777 1.00 2.24 H new ATOM 0 HB1 ALA A 3 20.536 -6.323 2.569 1.00 2.41 H new ATOM 0 HB2 ALA A 3 19.391 -7.664 2.813 1.00 2.41 H new ATOM 0 HB3 ALA A 3 18.936 -6.280 1.791 1.00 2.41 H new ATOM 34 N PRO A 4 18.416 -3.647 2.898 1.00 0.85 N ATOM 35 CA PRO A 4 18.507 -2.193 2.814 1.00 0.76 C ATOM 36 C PRO A 4 17.621 -1.490 3.849 1.00 0.79 C ATOM 37 O PRO A 4 18.125 -0.824 4.754 1.00 1.23 O ATOM 38 CB PRO A 4 18.043 -1.894 1.390 1.00 1.00 C ATOM 39 CG PRO A 4 17.099 -2.993 1.051 1.00 1.18 C ATOM 40 CD PRO A 4 17.521 -4.194 1.859 1.00 1.10 C ATOM 0 HA PRO A 4 19.512 -1.829 3.027 1.00 0.76 H new ATOM 0 HB2 PRO A 4 17.554 -0.922 1.331 1.00 1.00 H new ATOM 0 HB3 PRO A 4 18.885 -1.870 0.698 1.00 1.00 H new ATOM 0 HG2 PRO A 4 16.074 -2.709 1.288 1.00 1.18 H new ATOM 0 HG3 PRO A 4 17.130 -3.214 -0.016 1.00 1.18 H new ATOM 0 HD2 PRO A 4 16.661 -4.697 2.301 1.00 1.10 H new ATOM 0 HD3 PRO A 4 18.035 -4.928 1.239 1.00 1.10 H new ATOM 48 N LEU A 5 16.305 -1.655 3.728 1.00 0.43 N ATOM 49 CA LEU A 5 15.369 -1.027 4.647 1.00 0.45 C ATOM 50 C LEU A 5 14.097 -1.860 4.739 1.00 0.37 C ATOM 51 O LEU A 5 13.737 -2.555 3.789 1.00 0.42 O ATOM 52 CB LEU A 5 15.035 0.393 4.164 1.00 0.52 C ATOM 53 CG LEU A 5 14.153 0.467 2.912 1.00 0.60 C ATOM 54 CD1 LEU A 5 12.682 0.494 3.288 1.00 1.28 C ATOM 55 CD2 LEU A 5 14.498 1.672 2.056 1.00 1.27 C ATOM 0 H LEU A 5 15.866 -2.220 3.000 1.00 0.43 H new ATOM 0 HA LEU A 5 15.825 -0.966 5.635 1.00 0.45 H new ATOM 0 HB2 LEU A 5 14.535 0.926 4.973 1.00 0.52 H new ATOM 0 HB3 LEU A 5 15.968 0.920 3.963 1.00 0.52 H new ATOM 0 HG LEU A 5 14.348 -0.430 2.324 1.00 0.60 H new ATOM 0 HD11 LEU A 5 12.076 0.547 2.383 1.00 1.28 H new ATOM 0 HD12 LEU A 5 12.431 -0.411 3.841 1.00 1.28 H new ATOM 0 HD13 LEU A 5 12.481 1.366 3.910 1.00 1.28 H new ATOM 0 HD21 LEU A 5 13.853 1.691 1.178 1.00 1.27 H new ATOM 0 HD22 LEU A 5 14.350 2.584 2.635 1.00 1.27 H new ATOM 0 HD23 LEU A 5 15.539 1.608 1.740 1.00 1.27 H new ATOM 67 N CYS A 6 13.417 -1.790 5.869 1.00 0.34 N ATOM 68 CA CYS A 6 12.153 -2.493 6.032 1.00 0.31 C ATOM 69 C CYS A 6 10.996 -1.519 5.960 1.00 0.24 C ATOM 70 O CYS A 6 11.077 -0.396 6.457 1.00 0.27 O ATOM 71 CB CYS A 6 12.124 -3.269 7.352 1.00 0.40 C ATOM 72 SG CYS A 6 10.560 -4.118 7.690 1.00 1.35 S ATOM 0 H CYS A 6 13.715 -1.256 6.686 1.00 0.34 H new ATOM 0 HA CYS A 6 12.054 -3.211 5.218 1.00 0.31 H new ATOM 0 HB2 CYS A 6 12.928 -4.005 7.344 1.00 0.40 H new ATOM 0 HB3 CYS A 6 12.332 -2.579 8.169 1.00 0.40 H new ATOM 0 HG CYS A 6 9.628 -3.239 7.912 1.00 1.35 H new ATOM 78 N VAL A 7 9.933 -1.964 5.320 1.00 0.24 N ATOM 79 CA VAL A 7 8.765 -1.149 5.086 1.00 0.25 C ATOM 80 C VAL A 7 7.534 -1.817 5.694 1.00 0.25 C ATOM 81 O VAL A 7 7.498 -3.033 5.876 1.00 0.31 O ATOM 82 CB VAL A 7 8.612 -0.926 3.567 1.00 0.28 C ATOM 83 CG1 VAL A 7 7.182 -0.874 3.110 1.00 0.64 C ATOM 84 CG2 VAL A 7 9.353 0.324 3.138 1.00 0.61 C ATOM 0 H VAL A 7 9.858 -2.910 4.946 1.00 0.24 H new ATOM 0 HA VAL A 7 8.874 -0.177 5.567 1.00 0.25 H new ATOM 0 HB VAL A 7 9.055 -1.797 3.083 1.00 0.28 H new ATOM 0 HG11 VAL A 7 7.150 -0.715 2.032 1.00 0.64 H new ATOM 0 HG12 VAL A 7 6.688 -1.815 3.353 1.00 0.64 H new ATOM 0 HG13 VAL A 7 6.669 -0.054 3.613 1.00 0.64 H new ATOM 0 HG21 VAL A 7 9.235 0.466 2.064 1.00 0.61 H new ATOM 0 HG22 VAL A 7 8.947 1.187 3.665 1.00 0.61 H new ATOM 0 HG23 VAL A 7 10.412 0.219 3.376 1.00 0.61 H new ATOM 94 N LYS A 8 6.538 -1.019 6.005 1.00 0.26 N ATOM 95 CA LYS A 8 5.369 -1.502 6.729 1.00 0.28 C ATOM 96 C LYS A 8 4.082 -1.066 6.045 1.00 0.28 C ATOM 97 O LYS A 8 3.819 0.121 5.901 1.00 0.38 O ATOM 98 CB LYS A 8 5.395 -1.006 8.180 1.00 0.35 C ATOM 99 CG LYS A 8 4.328 -1.645 9.059 1.00 0.61 C ATOM 100 CD LYS A 8 3.066 -0.794 9.168 1.00 0.86 C ATOM 101 CE LYS A 8 3.273 0.405 10.085 1.00 1.08 C ATOM 102 NZ LYS A 8 2.014 1.165 10.312 1.00 1.61 N ATOM 0 H LYS A 8 6.508 -0.027 5.770 1.00 0.26 H new ATOM 0 HA LYS A 8 5.400 -2.592 6.729 1.00 0.28 H new ATOM 0 HB2 LYS A 8 6.377 -1.209 8.608 1.00 0.35 H new ATOM 0 HB3 LYS A 8 5.262 0.076 8.188 1.00 0.35 H new ATOM 0 HG2 LYS A 8 4.068 -2.623 8.654 1.00 0.61 H new ATOM 0 HG3 LYS A 8 4.736 -1.811 10.056 1.00 0.61 H new ATOM 0 HD2 LYS A 8 2.774 -0.448 8.177 1.00 0.86 H new ATOM 0 HD3 LYS A 8 2.247 -1.405 9.547 1.00 0.86 H new ATOM 0 HE2 LYS A 8 3.667 0.064 11.042 1.00 1.08 H new ATOM 0 HE3 LYS A 8 4.022 1.067 9.650 1.00 1.08 H new ATOM 0 HZ1 LYS A 8 2.054 1.634 11.239 1.00 1.61 H new ATOM 0 HZ2 LYS A 8 1.902 1.881 9.566 1.00 1.61 H new ATOM 0 HZ3 LYS A 8 1.205 0.512 10.289 1.00 1.61 H new ATOM 116 N VAL A 9 3.284 -2.036 5.631 1.00 0.25 N ATOM 117 CA VAL A 9 1.993 -1.766 5.019 1.00 0.26 C ATOM 118 C VAL A 9 0.885 -2.170 5.982 1.00 0.23 C ATOM 119 O VAL A 9 0.928 -3.256 6.545 1.00 0.27 O ATOM 120 CB VAL A 9 1.839 -2.544 3.698 1.00 0.30 C ATOM 121 CG1 VAL A 9 0.447 -2.366 3.121 1.00 0.89 C ATOM 122 CG2 VAL A 9 2.898 -2.116 2.693 1.00 0.77 C ATOM 0 H VAL A 9 3.511 -3.027 5.709 1.00 0.25 H new ATOM 0 HA VAL A 9 1.926 -0.700 4.800 1.00 0.26 H new ATOM 0 HB VAL A 9 1.981 -3.603 3.913 1.00 0.30 H new ATOM 0 HG11 VAL A 9 0.365 -2.925 2.189 1.00 0.89 H new ATOM 0 HG12 VAL A 9 -0.292 -2.736 3.832 1.00 0.89 H new ATOM 0 HG13 VAL A 9 0.266 -1.309 2.927 1.00 0.89 H new ATOM 0 HG21 VAL A 9 2.770 -2.678 1.768 1.00 0.77 H new ATOM 0 HG22 VAL A 9 2.795 -1.051 2.487 1.00 0.77 H new ATOM 0 HG23 VAL A 9 3.889 -2.312 3.103 1.00 0.77 H new ATOM 132 N GLU A 10 -0.085 -1.299 6.200 1.00 0.21 N ATOM 133 CA GLU A 10 -1.126 -1.580 7.178 1.00 0.23 C ATOM 134 C GLU A 10 -2.476 -1.012 6.739 1.00 0.25 C ATOM 135 O GLU A 10 -2.543 -0.137 5.868 1.00 0.26 O ATOM 136 CB GLU A 10 -0.693 -1.007 8.533 1.00 0.28 C ATOM 137 CG GLU A 10 -1.541 -1.429 9.720 1.00 0.37 C ATOM 138 CD GLU A 10 -0.878 -1.072 11.037 1.00 0.48 C ATOM 139 OE1 GLU A 10 -0.230 -0.003 11.110 1.00 1.08 O ATOM 140 OE2 GLU A 10 -0.982 -1.865 11.995 1.00 0.99 O ATOM 0 H GLU A 10 -0.175 -0.403 5.721 1.00 0.21 H new ATOM 0 HA GLU A 10 -1.258 -2.659 7.265 1.00 0.23 H new ATOM 0 HB2 GLU A 10 0.339 -1.304 8.721 1.00 0.28 H new ATOM 0 HB3 GLU A 10 -0.704 0.081 8.469 1.00 0.28 H new ATOM 0 HG2 GLU A 10 -2.516 -0.946 9.661 1.00 0.37 H new ATOM 0 HG3 GLU A 10 -1.715 -2.504 9.679 1.00 0.37 H new ATOM 147 N PHE A 11 -3.546 -1.528 7.339 1.00 0.30 N ATOM 148 CA PHE A 11 -4.896 -1.057 7.062 1.00 0.34 C ATOM 149 C PHE A 11 -5.181 0.185 7.892 1.00 0.34 C ATOM 150 O PHE A 11 -4.578 0.386 8.946 1.00 0.74 O ATOM 151 CB PHE A 11 -5.941 -2.140 7.400 1.00 0.74 C ATOM 152 CG PHE A 11 -6.717 -1.856 8.664 1.00 2.12 C ATOM 153 CD1 PHE A 11 -6.157 -2.112 9.906 1.00 2.77 C ATOM 154 CD2 PHE A 11 -8.011 -1.361 8.611 1.00 2.89 C ATOM 155 CE1 PHE A 11 -6.869 -1.878 11.066 1.00 4.09 C ATOM 156 CE2 PHE A 11 -8.729 -1.132 9.768 1.00 4.21 C ATOM 157 CZ PHE A 11 -8.133 -1.276 10.986 1.00 4.80 C ATOM 0 H PHE A 11 -3.500 -2.280 8.027 1.00 0.30 H new ATOM 0 HA PHE A 11 -4.965 -0.825 5.999 1.00 0.34 H new ATOM 0 HB2 PHE A 11 -6.639 -2.232 6.568 1.00 0.74 H new ATOM 0 HB3 PHE A 11 -5.437 -3.101 7.501 1.00 0.74 H new ATOM 0 HD1 PHE A 11 -5.151 -2.499 9.967 1.00 2.77 H new ATOM 0 HD2 PHE A 11 -8.463 -1.152 7.653 1.00 2.89 H new ATOM 0 HE1 PHE A 11 -6.457 -2.156 12.025 1.00 4.09 H new ATOM 0 HE2 PHE A 11 -9.766 -0.838 9.708 1.00 4.21 H new ATOM 0 HZ PHE A 11 -8.630 -0.930 11.880 1.00 4.80 H new ATOM 167 N GLY A 12 -6.100 1.013 7.423 1.00 0.23 N ATOM 168 CA GLY A 12 -6.509 2.158 8.202 1.00 0.39 C ATOM 169 C GLY A 12 -7.996 2.423 8.089 1.00 0.28 C ATOM 170 O GLY A 12 -8.729 2.353 9.077 1.00 0.34 O ATOM 0 H GLY A 12 -6.567 0.913 6.522 1.00 0.23 H new ATOM 0 HA2 GLY A 12 -6.249 1.996 9.248 1.00 0.39 H new ATOM 0 HA3 GLY A 12 -5.958 3.038 7.869 1.00 0.39 H new ATOM 174 N GLY A 13 -8.450 2.697 6.874 1.00 0.24 N ATOM 175 CA GLY A 13 -9.852 3.018 6.650 1.00 0.26 C ATOM 176 C GLY A 13 -10.737 1.789 6.566 1.00 0.29 C ATOM 177 O GLY A 13 -11.441 1.601 5.580 1.00 0.45 O ATOM 0 H GLY A 13 -7.872 2.704 6.033 1.00 0.24 H new ATOM 0 HA2 GLY A 13 -10.206 3.659 7.458 1.00 0.26 H new ATOM 0 HA3 GLY A 13 -9.945 3.589 5.726 1.00 0.26 H new ATOM 181 N GLY A 14 -10.686 0.939 7.593 1.00 0.28 N ATOM 182 CA GLY A 14 -11.484 -0.278 7.599 1.00 0.35 C ATOM 183 C GLY A 14 -11.044 -1.236 6.512 1.00 0.36 C ATOM 184 O GLY A 14 -11.747 -2.189 6.179 1.00 0.41 O ATOM 0 H GLY A 14 -10.106 1.073 8.421 1.00 0.28 H new ATOM 0 HA2 GLY A 14 -11.399 -0.765 8.571 1.00 0.35 H new ATOM 0 HA3 GLY A 14 -12.535 -0.026 7.459 1.00 0.35 H new ATOM 188 N ALA A 15 -9.855 -0.979 5.982 1.00 0.35 N ATOM 189 CA ALA A 15 -9.322 -1.713 4.846 1.00 0.39 C ATOM 190 C ALA A 15 -9.179 -3.208 5.137 1.00 0.39 C ATOM 191 O ALA A 15 -9.294 -4.029 4.230 1.00 0.42 O ATOM 192 CB ALA A 15 -7.987 -1.102 4.433 1.00 0.44 C ATOM 0 H ALA A 15 -9.232 -0.251 6.331 1.00 0.35 H new ATOM 0 HA ALA A 15 -10.030 -1.629 4.022 1.00 0.39 H new ATOM 0 HB1 ALA A 15 -7.584 -1.650 3.581 1.00 0.44 H new ATOM 0 HB2 ALA A 15 -8.135 -0.058 4.156 1.00 0.44 H new ATOM 0 HB3 ALA A 15 -7.287 -1.161 5.266 1.00 0.44 H new ATOM 198 N GLU A 16 -8.965 -3.561 6.404 1.00 0.38 N ATOM 199 CA GLU A 16 -8.770 -4.963 6.786 1.00 0.38 C ATOM 200 C GLU A 16 -10.010 -5.799 6.479 1.00 0.36 C ATOM 201 O GLU A 16 -9.910 -7.001 6.239 1.00 0.37 O ATOM 202 CB GLU A 16 -8.414 -5.100 8.271 1.00 0.45 C ATOM 203 CG GLU A 16 -9.544 -4.703 9.209 1.00 0.57 C ATOM 204 CD GLU A 16 -9.255 -5.025 10.659 1.00 1.19 C ATOM 205 OE1 GLU A 16 -9.215 -6.220 11.009 1.00 1.54 O ATOM 206 OE2 GLU A 16 -9.110 -4.087 11.466 1.00 1.60 O ATOM 0 H GLU A 16 -8.922 -2.901 7.181 1.00 0.38 H new ATOM 0 HA GLU A 16 -7.935 -5.337 6.193 1.00 0.38 H new ATOM 0 HB2 GLU A 16 -8.131 -6.133 8.474 1.00 0.45 H new ATOM 0 HB3 GLU A 16 -7.542 -4.482 8.485 1.00 0.45 H new ATOM 0 HG2 GLU A 16 -9.730 -3.634 9.111 1.00 0.57 H new ATOM 0 HG3 GLU A 16 -10.457 -5.215 8.905 1.00 0.57 H new ATOM 213 N LEU A 17 -11.176 -5.161 6.484 1.00 0.35 N ATOM 214 CA LEU A 17 -12.437 -5.851 6.229 1.00 0.37 C ATOM 215 C LEU A 17 -12.509 -6.336 4.783 1.00 0.36 C ATOM 216 O LEU A 17 -13.384 -7.121 4.421 1.00 0.41 O ATOM 217 CB LEU A 17 -13.614 -4.930 6.541 1.00 0.39 C ATOM 218 CG LEU A 17 -13.671 -4.427 7.986 1.00 0.41 C ATOM 219 CD1 LEU A 17 -14.868 -3.515 8.185 1.00 0.88 C ATOM 220 CD2 LEU A 17 -13.729 -5.597 8.959 1.00 0.83 C ATOM 0 H LEU A 17 -11.274 -4.162 6.663 1.00 0.35 H new ATOM 0 HA LEU A 17 -12.490 -6.722 6.882 1.00 0.37 H new ATOM 0 HB2 LEU A 17 -13.571 -4.070 5.873 1.00 0.39 H new ATOM 0 HB3 LEU A 17 -14.540 -5.460 6.319 1.00 0.39 H new ATOM 0 HG LEU A 17 -12.764 -3.857 8.186 1.00 0.41 H new ATOM 0 HD11 LEU A 17 -14.893 -3.167 9.218 1.00 0.88 H new ATOM 0 HD12 LEU A 17 -14.788 -2.659 7.515 1.00 0.88 H new ATOM 0 HD13 LEU A 17 -15.784 -4.064 7.965 1.00 0.88 H new ATOM 0 HD21 LEU A 17 -13.769 -5.219 9.981 1.00 0.83 H new ATOM 0 HD22 LEU A 17 -14.619 -6.194 8.758 1.00 0.83 H new ATOM 0 HD23 LEU A 17 -12.841 -6.217 8.836 1.00 0.83 H new ATOM 232 N LEU A 18 -11.586 -5.861 3.964 1.00 0.35 N ATOM 233 CA LEU A 18 -11.470 -6.316 2.586 1.00 0.39 C ATOM 234 C LEU A 18 -10.479 -7.467 2.516 1.00 0.42 C ATOM 235 O LEU A 18 -10.460 -8.226 1.551 1.00 0.49 O ATOM 236 CB LEU A 18 -10.964 -5.180 1.693 1.00 0.38 C ATOM 237 CG LEU A 18 -11.805 -3.902 1.702 1.00 0.42 C ATOM 238 CD1 LEU A 18 -10.973 -2.713 1.241 1.00 0.47 C ATOM 239 CD2 LEU A 18 -13.026 -4.062 0.809 1.00 0.49 C ATOM 0 H LEU A 18 -10.900 -5.155 4.231 1.00 0.35 H new ATOM 0 HA LEU A 18 -12.452 -6.640 2.241 1.00 0.39 H new ATOM 0 HB2 LEU A 18 -9.949 -4.927 1.999 1.00 0.38 H new ATOM 0 HB3 LEU A 18 -10.906 -5.547 0.668 1.00 0.38 H new ATOM 0 HG LEU A 18 -12.140 -3.720 2.723 1.00 0.42 H new ATOM 0 HD11 LEU A 18 -11.587 -1.813 1.254 1.00 0.47 H new ATOM 0 HD12 LEU A 18 -10.123 -2.582 1.911 1.00 0.47 H new ATOM 0 HD13 LEU A 18 -10.612 -2.892 0.228 1.00 0.47 H new ATOM 0 HD21 LEU A 18 -13.613 -3.144 0.827 1.00 0.49 H new ATOM 0 HD22 LEU A 18 -12.705 -4.268 -0.212 1.00 0.49 H new ATOM 0 HD23 LEU A 18 -13.636 -4.890 1.171 1.00 0.49 H new ATOM 251 N PHE A 19 -9.662 -7.587 3.558 1.00 0.39 N ATOM 252 CA PHE A 19 -8.510 -8.478 3.540 1.00 0.47 C ATOM 253 C PHE A 19 -8.695 -9.657 4.487 1.00 0.60 C ATOM 254 O PHE A 19 -7.724 -10.328 4.845 1.00 0.97 O ATOM 255 CB PHE A 19 -7.253 -7.702 3.942 1.00 0.45 C ATOM 256 CG PHE A 19 -7.047 -6.430 3.169 1.00 0.43 C ATOM 257 CD1 PHE A 19 -7.435 -6.342 1.846 1.00 0.42 C ATOM 258 CD2 PHE A 19 -6.460 -5.328 3.767 1.00 0.71 C ATOM 259 CE1 PHE A 19 -7.248 -5.186 1.130 1.00 0.52 C ATOM 260 CE2 PHE A 19 -6.268 -4.160 3.055 1.00 0.75 C ATOM 261 CZ PHE A 19 -6.664 -4.087 1.733 1.00 0.59 C ATOM 0 H PHE A 19 -9.779 -7.073 4.431 1.00 0.39 H new ATOM 0 HA PHE A 19 -8.407 -8.867 2.527 1.00 0.47 H new ATOM 0 HB2 PHE A 19 -7.309 -7.464 5.004 1.00 0.45 H new ATOM 0 HB3 PHE A 19 -6.383 -8.344 3.804 1.00 0.45 H new ATOM 0 HD1 PHE A 19 -7.892 -7.196 1.368 1.00 0.42 H new ATOM 0 HD2 PHE A 19 -6.149 -5.382 4.800 1.00 0.71 H new ATOM 0 HE1 PHE A 19 -7.557 -5.135 0.096 1.00 0.52 H new ATOM 0 HE2 PHE A 19 -5.809 -3.306 3.530 1.00 0.75 H new ATOM 0 HZ PHE A 19 -6.518 -3.175 1.173 1.00 0.59 H new ATOM 271 N ASP A 20 -9.939 -9.898 4.890 1.00 0.55 N ATOM 272 CA ASP A 20 -10.280 -11.010 5.787 1.00 0.69 C ATOM 273 C ASP A 20 -9.805 -10.725 7.216 1.00 0.72 C ATOM 274 O ASP A 20 -9.610 -11.636 8.021 1.00 1.07 O ATOM 275 CB ASP A 20 -9.694 -12.330 5.259 1.00 0.80 C ATOM 276 CG ASP A 20 -10.296 -13.555 5.916 1.00 1.16 C ATOM 277 OD1 ASP A 20 -11.538 -13.695 5.900 1.00 1.55 O ATOM 278 OD2 ASP A 20 -9.531 -14.356 6.489 1.00 1.28 O ATOM 0 H ASP A 20 -10.740 -9.333 4.608 1.00 0.55 H new ATOM 0 HA ASP A 20 -11.365 -11.109 5.812 1.00 0.69 H new ATOM 0 HB2 ASP A 20 -9.855 -12.387 4.182 1.00 0.80 H new ATOM 0 HB3 ASP A 20 -8.616 -12.332 5.420 1.00 0.80 H new ATOM 283 N GLY A 21 -9.631 -9.446 7.524 1.00 0.57 N ATOM 284 CA GLY A 21 -9.333 -9.032 8.883 1.00 0.59 C ATOM 285 C GLY A 21 -7.850 -8.981 9.195 1.00 0.59 C ATOM 286 O GLY A 21 -7.465 -8.902 10.362 1.00 0.79 O ATOM 0 H GLY A 21 -9.691 -8.682 6.851 1.00 0.57 H new ATOM 0 HA2 GLY A 21 -9.765 -8.047 9.056 1.00 0.59 H new ATOM 0 HA3 GLY A 21 -9.818 -9.719 9.577 1.00 0.59 H new ATOM 290 N VAL A 22 -7.010 -9.043 8.172 1.00 0.51 N ATOM 291 CA VAL A 22 -5.581 -8.843 8.372 1.00 0.53 C ATOM 292 C VAL A 22 -5.257 -7.367 8.159 1.00 0.45 C ATOM 293 O VAL A 22 -5.795 -6.735 7.247 1.00 0.47 O ATOM 294 CB VAL A 22 -4.724 -9.736 7.439 1.00 0.68 C ATOM 295 CG1 VAL A 22 -4.916 -9.365 5.978 1.00 1.02 C ATOM 296 CG2 VAL A 22 -3.253 -9.661 7.821 1.00 1.41 C ATOM 0 H VAL A 22 -7.287 -9.227 7.208 1.00 0.51 H new ATOM 0 HA VAL A 22 -5.331 -9.137 9.391 1.00 0.53 H new ATOM 0 HB VAL A 22 -5.064 -10.764 7.567 1.00 0.68 H new ATOM 0 HG11 VAL A 22 -4.299 -10.012 5.354 1.00 1.02 H new ATOM 0 HG12 VAL A 22 -5.964 -9.490 5.706 1.00 1.02 H new ATOM 0 HG13 VAL A 22 -4.622 -8.327 5.825 1.00 1.02 H new ATOM 0 HG21 VAL A 22 -2.671 -10.296 7.153 1.00 1.41 H new ATOM 0 HG22 VAL A 22 -2.907 -8.631 7.736 1.00 1.41 H new ATOM 0 HG23 VAL A 22 -3.126 -10.003 8.848 1.00 1.41 H new ATOM 306 N LYS A 23 -4.411 -6.812 9.010 1.00 0.48 N ATOM 307 CA LYS A 23 -4.184 -5.375 9.012 1.00 0.52 C ATOM 308 C LYS A 23 -2.787 -5.036 8.514 1.00 0.40 C ATOM 309 O LYS A 23 -2.615 -4.555 7.397 1.00 0.37 O ATOM 310 CB LYS A 23 -4.372 -4.808 10.420 1.00 0.75 C ATOM 311 CG LYS A 23 -5.338 -5.600 11.289 1.00 0.85 C ATOM 312 CD LYS A 23 -5.792 -4.793 12.496 1.00 1.06 C ATOM 313 CE LYS A 23 -4.634 -4.070 13.174 1.00 1.11 C ATOM 314 NZ LYS A 23 -3.639 -5.008 13.752 1.00 2.07 N ATOM 0 H LYS A 23 -3.873 -7.330 9.705 1.00 0.48 H new ATOM 0 HA LYS A 23 -4.913 -4.926 8.337 1.00 0.52 H new ATOM 0 HB2 LYS A 23 -3.402 -4.770 10.916 1.00 0.75 H new ATOM 0 HB3 LYS A 23 -4.730 -3.782 10.341 1.00 0.75 H new ATOM 0 HG2 LYS A 23 -6.206 -5.891 10.698 1.00 0.85 H new ATOM 0 HG3 LYS A 23 -4.858 -6.519 11.624 1.00 0.85 H new ATOM 0 HD2 LYS A 23 -6.540 -4.064 12.183 1.00 1.06 H new ATOM 0 HD3 LYS A 23 -6.274 -5.456 13.214 1.00 1.06 H new ATOM 0 HE2 LYS A 23 -4.140 -3.422 12.450 1.00 1.11 H new ATOM 0 HE3 LYS A 23 -5.023 -3.427 13.963 1.00 1.11 H new ATOM 0 HZ1 LYS A 23 -2.872 -4.467 14.201 1.00 2.07 H new ATOM 0 HZ2 LYS A 23 -4.101 -5.609 14.463 1.00 2.07 H new ATOM 0 HZ3 LYS A 23 -3.245 -5.605 12.997 1.00 2.07 H new ATOM 328 N LYS A 24 -1.797 -5.278 9.356 1.00 0.38 N ATOM 329 CA LYS A 24 -0.425 -4.950 9.035 1.00 0.33 C ATOM 330 C LYS A 24 0.273 -6.096 8.322 1.00 0.34 C ATOM 331 O LYS A 24 0.295 -7.232 8.796 1.00 0.47 O ATOM 332 CB LYS A 24 0.349 -4.597 10.305 1.00 0.43 C ATOM 333 CG LYS A 24 1.808 -4.256 10.051 1.00 0.49 C ATOM 334 CD LYS A 24 2.619 -4.253 11.335 1.00 0.66 C ATOM 335 CE LYS A 24 2.156 -3.175 12.302 1.00 1.04 C ATOM 336 NZ LYS A 24 2.916 -3.220 13.577 1.00 1.59 N ATOM 0 H LYS A 24 -1.923 -5.704 10.274 1.00 0.38 H new ATOM 0 HA LYS A 24 -0.445 -4.090 8.366 1.00 0.33 H new ATOM 0 HB2 LYS A 24 -0.134 -3.750 10.792 1.00 0.43 H new ATOM 0 HB3 LYS A 24 0.296 -5.436 10.998 1.00 0.43 H new ATOM 0 HG2 LYS A 24 2.234 -4.978 9.354 1.00 0.49 H new ATOM 0 HG3 LYS A 24 1.875 -3.277 9.577 1.00 0.49 H new ATOM 0 HD2 LYS A 24 2.540 -5.228 11.815 1.00 0.66 H new ATOM 0 HD3 LYS A 24 3.672 -4.099 11.098 1.00 0.66 H new ATOM 0 HE2 LYS A 24 2.277 -2.195 11.840 1.00 1.04 H new ATOM 0 HE3 LYS A 24 1.093 -3.302 12.507 1.00 1.04 H new ATOM 0 HZ1 LYS A 24 2.573 -2.471 14.212 1.00 1.59 H new ATOM 0 HZ2 LYS A 24 2.780 -4.146 14.030 1.00 1.59 H new ATOM 0 HZ3 LYS A 24 3.927 -3.074 13.384 1.00 1.59 H new ATOM 350 N HIS A 25 0.841 -5.773 7.183 1.00 0.29 N ATOM 351 CA HIS A 25 1.730 -6.662 6.476 1.00 0.34 C ATOM 352 C HIS A 25 3.059 -5.948 6.309 1.00 0.34 C ATOM 353 O HIS A 25 3.152 -4.956 5.585 1.00 0.43 O ATOM 354 CB HIS A 25 1.138 -7.019 5.113 1.00 0.42 C ATOM 355 CG HIS A 25 1.957 -8.007 4.334 1.00 0.69 C ATOM 356 ND1 HIS A 25 1.834 -9.370 4.481 1.00 1.46 N ATOM 357 CD2 HIS A 25 2.918 -7.820 3.399 1.00 1.39 C ATOM 358 CE1 HIS A 25 2.683 -9.977 3.674 1.00 1.58 C ATOM 359 NE2 HIS A 25 3.356 -9.060 3.005 1.00 1.44 N ATOM 0 H HIS A 25 0.697 -4.877 6.718 1.00 0.29 H new ATOM 0 HA HIS A 25 1.869 -7.589 7.032 1.00 0.34 H new ATOM 0 HB2 HIS A 25 0.137 -7.426 5.258 1.00 0.42 H new ATOM 0 HB3 HIS A 25 1.030 -6.108 4.525 1.00 0.42 H new ATOM 0 HD2 HIS A 25 3.275 -6.870 3.031 1.00 1.39 H new ATOM 0 HE1 HIS A 25 2.807 -11.046 3.577 1.00 1.58 H new ATOM 0 HE2 HIS A 25 4.081 -9.242 2.311 1.00 1.44 H new ATOM 368 N GLN A 26 4.084 -6.441 6.967 1.00 0.36 N ATOM 369 CA GLN A 26 5.363 -5.761 6.957 1.00 0.38 C ATOM 370 C GLN A 26 6.299 -6.437 5.973 1.00 0.33 C ATOM 371 O GLN A 26 6.652 -7.605 6.134 1.00 0.47 O ATOM 372 CB GLN A 26 5.955 -5.726 8.366 1.00 0.54 C ATOM 373 CG GLN A 26 7.129 -4.772 8.504 1.00 0.67 C ATOM 374 CD GLN A 26 7.347 -4.315 9.933 1.00 1.12 C ATOM 375 OE1 GLN A 26 6.404 -4.219 10.721 1.00 1.84 O ATOM 376 NE2 GLN A 26 8.587 -4.015 10.274 1.00 1.59 N ATOM 0 H GLN A 26 4.060 -7.303 7.512 1.00 0.36 H new ATOM 0 HA GLN A 26 5.223 -4.730 6.633 1.00 0.38 H new ATOM 0 HB2 GLN A 26 5.177 -5.437 9.072 1.00 0.54 H new ATOM 0 HB3 GLN A 26 6.278 -6.730 8.641 1.00 0.54 H new ATOM 0 HG2 GLN A 26 8.033 -5.260 8.141 1.00 0.67 H new ATOM 0 HG3 GLN A 26 6.961 -3.901 7.870 1.00 0.67 H new ATOM 0 HE21 GLN A 26 9.340 -4.108 9.592 1.00 1.59 H new ATOM 0 HE22 GLN A 26 8.792 -3.690 11.219 1.00 1.59 H new ATOM 385 N VAL A 27 6.682 -5.699 4.946 1.00 0.29 N ATOM 386 CA VAL A 27 7.473 -6.252 3.864 1.00 0.29 C ATOM 387 C VAL A 27 8.917 -5.764 3.950 1.00 0.28 C ATOM 388 O VAL A 27 9.180 -4.594 4.243 1.00 0.31 O ATOM 389 CB VAL A 27 6.855 -5.899 2.488 1.00 0.35 C ATOM 390 CG1 VAL A 27 6.860 -4.397 2.244 1.00 0.44 C ATOM 391 CG2 VAL A 27 7.570 -6.634 1.365 1.00 0.44 C ATOM 0 H VAL A 27 6.456 -4.710 4.840 1.00 0.29 H new ATOM 0 HA VAL A 27 7.471 -7.337 3.964 1.00 0.29 H new ATOM 0 HB VAL A 27 5.816 -6.228 2.501 1.00 0.35 H new ATOM 0 HG11 VAL A 27 6.419 -4.185 1.270 1.00 0.44 H new ATOM 0 HG12 VAL A 27 6.279 -3.900 3.021 1.00 0.44 H new ATOM 0 HG13 VAL A 27 7.885 -4.028 2.266 1.00 0.44 H new ATOM 0 HG21 VAL A 27 7.117 -6.369 0.410 1.00 0.44 H new ATOM 0 HG22 VAL A 27 8.623 -6.352 1.358 1.00 0.44 H new ATOM 0 HG23 VAL A 27 7.484 -7.709 1.521 1.00 0.44 H new ATOM 401 N ALA A 28 9.850 -6.665 3.719 1.00 0.31 N ATOM 402 CA ALA A 28 11.256 -6.333 3.819 1.00 0.33 C ATOM 403 C ALA A 28 11.878 -6.178 2.438 1.00 0.28 C ATOM 404 O ALA A 28 11.825 -7.096 1.617 1.00 0.29 O ATOM 405 CB ALA A 28 11.981 -7.396 4.626 1.00 0.41 C ATOM 0 H ALA A 28 9.660 -7.633 3.461 1.00 0.31 H new ATOM 0 HA ALA A 28 11.354 -5.377 4.333 1.00 0.33 H new ATOM 0 HB1 ALA A 28 13.038 -7.140 4.698 1.00 0.41 H new ATOM 0 HB2 ALA A 28 11.552 -7.449 5.627 1.00 0.41 H new ATOM 0 HB3 ALA A 28 11.874 -8.363 4.134 1.00 0.41 H new ATOM 411 N LEU A 29 12.457 -5.007 2.183 1.00 0.28 N ATOM 412 CA LEU A 29 13.124 -4.744 0.915 1.00 0.28 C ATOM 413 C LEU A 29 14.341 -5.640 0.744 1.00 0.32 C ATOM 414 O LEU A 29 15.072 -5.900 1.700 1.00 0.36 O ATOM 415 CB LEU A 29 13.577 -3.280 0.813 1.00 0.35 C ATOM 416 CG LEU A 29 12.497 -2.243 0.495 1.00 0.38 C ATOM 417 CD1 LEU A 29 13.153 -0.928 0.122 1.00 1.13 C ATOM 418 CD2 LEU A 29 11.614 -2.721 -0.638 1.00 1.04 C ATOM 0 H LEU A 29 12.477 -4.226 2.839 1.00 0.28 H new ATOM 0 HA LEU A 29 12.399 -4.953 0.128 1.00 0.28 H new ATOM 0 HB2 LEU A 29 14.046 -3.003 1.757 1.00 0.35 H new ATOM 0 HB3 LEU A 29 14.347 -3.216 0.044 1.00 0.35 H new ATOM 0 HG LEU A 29 11.874 -2.102 1.378 1.00 0.38 H new ATOM 0 HD11 LEU A 29 12.384 -0.189 -0.105 1.00 1.13 H new ATOM 0 HD12 LEU A 29 13.761 -0.575 0.955 1.00 1.13 H new ATOM 0 HD13 LEU A 29 13.786 -1.073 -0.753 1.00 1.13 H new ATOM 0 HD21 LEU A 29 10.853 -1.969 -0.848 1.00 1.04 H new ATOM 0 HD22 LEU A 29 12.221 -2.882 -1.529 1.00 1.04 H new ATOM 0 HD23 LEU A 29 11.131 -3.656 -0.354 1.00 1.04 H new ATOM 430 N PRO A 30 14.560 -6.148 -0.473 1.00 0.38 N ATOM 431 CA PRO A 30 15.788 -6.832 -0.826 1.00 0.53 C ATOM 432 C PRO A 30 16.868 -5.834 -1.228 1.00 0.76 C ATOM 433 O PRO A 30 16.564 -4.755 -1.743 1.00 1.64 O ATOM 434 CB PRO A 30 15.401 -7.702 -2.028 1.00 0.52 C ATOM 435 CG PRO A 30 13.963 -7.395 -2.327 1.00 0.51 C ATOM 436 CD PRO A 30 13.623 -6.127 -1.594 1.00 0.41 C ATOM 0 HA PRO A 30 16.192 -7.410 0.005 1.00 0.53 H new ATOM 0 HB2 PRO A 30 16.033 -7.479 -2.888 1.00 0.52 H new ATOM 0 HB3 PRO A 30 15.533 -8.760 -1.801 1.00 0.52 H new ATOM 0 HG2 PRO A 30 13.809 -7.274 -3.399 1.00 0.51 H new ATOM 0 HG3 PRO A 30 13.319 -8.212 -2.003 1.00 0.51 H new ATOM 0 HD2 PRO A 30 13.761 -5.246 -2.221 1.00 0.41 H new ATOM 0 HD3 PRO A 30 12.587 -6.119 -1.256 1.00 0.41 H new ATOM 444 N GLY A 31 18.120 -6.196 -0.999 1.00 0.79 N ATOM 445 CA GLY A 31 19.231 -5.326 -1.350 1.00 0.88 C ATOM 446 C GLY A 31 19.532 -5.394 -2.830 1.00 1.01 C ATOM 447 O GLY A 31 20.591 -5.868 -3.239 1.00 1.64 O ATOM 0 H GLY A 31 18.392 -7.082 -0.574 1.00 0.79 H new ATOM 0 HA2 GLY A 31 18.994 -4.299 -1.071 1.00 0.88 H new ATOM 0 HA3 GLY A 31 20.116 -5.615 -0.783 1.00 0.88 H new ATOM 451 N GLN A 32 18.586 -4.931 -3.630 1.00 1.08 N ATOM 452 CA GLN A 32 18.664 -5.060 -5.073 1.00 1.37 C ATOM 453 C GLN A 32 17.962 -3.864 -5.725 1.00 1.07 C ATOM 454 O GLN A 32 18.289 -2.717 -5.421 1.00 1.59 O ATOM 455 CB GLN A 32 18.019 -6.390 -5.475 1.00 2.00 C ATOM 456 CG GLN A 32 18.371 -6.865 -6.872 1.00 2.66 C ATOM 457 CD GLN A 32 17.748 -8.208 -7.194 1.00 3.34 C ATOM 458 OE1 GLN A 32 16.698 -8.562 -6.658 1.00 3.88 O ATOM 459 NE2 GLN A 32 18.380 -8.955 -8.082 1.00 3.82 N ATOM 0 H GLN A 32 17.746 -4.457 -3.298 1.00 1.08 H new ATOM 0 HA GLN A 32 19.699 -5.061 -5.413 1.00 1.37 H new ATOM 0 HB2 GLN A 32 18.319 -7.155 -4.759 1.00 2.00 H new ATOM 0 HB3 GLN A 32 16.936 -6.291 -5.401 1.00 2.00 H new ATOM 0 HG2 GLN A 32 18.035 -6.127 -7.600 1.00 2.66 H new ATOM 0 HG3 GLN A 32 19.454 -6.937 -6.967 1.00 2.66 H new ATOM 0 HE21 GLN A 32 19.248 -8.623 -8.502 1.00 3.82 H new ATOM 0 HE22 GLN A 32 18.000 -9.863 -8.347 1.00 3.82 H new ATOM 468 N GLU A 33 16.988 -4.118 -6.598 1.00 0.97 N ATOM 469 CA GLU A 33 16.224 -3.038 -7.218 1.00 0.88 C ATOM 470 C GLU A 33 15.260 -2.417 -6.216 1.00 0.88 C ATOM 471 O GLU A 33 14.773 -1.307 -6.427 1.00 1.63 O ATOM 472 CB GLU A 33 15.423 -3.533 -8.430 1.00 1.23 C ATOM 473 CG GLU A 33 16.260 -3.889 -9.650 1.00 1.72 C ATOM 474 CD GLU A 33 17.016 -5.187 -9.494 1.00 2.31 C ATOM 475 OE1 GLU A 33 16.366 -6.233 -9.302 1.00 2.65 O ATOM 476 OE2 GLU A 33 18.265 -5.165 -9.557 1.00 3.02 O ATOM 0 H GLU A 33 16.711 -5.055 -6.890 1.00 0.97 H new ATOM 0 HA GLU A 33 16.945 -2.292 -7.552 1.00 0.88 H new ATOM 0 HB2 GLU A 33 14.848 -4.410 -8.133 1.00 1.23 H new ATOM 0 HB3 GLU A 33 14.706 -2.762 -8.712 1.00 1.23 H new ATOM 0 HG2 GLU A 33 15.609 -3.957 -10.522 1.00 1.72 H new ATOM 0 HG3 GLU A 33 16.969 -3.084 -9.844 1.00 1.72 H new ATOM 483 N GLU A 34 15.012 -3.137 -5.119 1.00 0.54 N ATOM 484 CA GLU A 34 13.998 -2.745 -4.141 1.00 0.56 C ATOM 485 C GLU A 34 12.654 -2.598 -4.852 1.00 0.48 C ATOM 486 O GLU A 34 12.139 -1.495 -5.029 1.00 0.58 O ATOM 487 CB GLU A 34 14.403 -1.446 -3.430 1.00 0.72 C ATOM 488 CG GLU A 34 15.780 -1.533 -2.778 1.00 0.96 C ATOM 489 CD GLU A 34 16.376 -0.177 -2.451 1.00 1.55 C ATOM 490 OE1 GLU A 34 16.972 0.455 -3.349 1.00 2.31 O ATOM 491 OE2 GLU A 34 16.230 0.270 -1.291 1.00 1.97 O ATOM 0 H GLU A 34 15.504 -4.000 -4.886 1.00 0.54 H new ATOM 0 HA GLU A 34 13.910 -3.515 -3.375 1.00 0.56 H new ATOM 0 HB2 GLU A 34 14.398 -0.627 -4.149 1.00 0.72 H new ATOM 0 HB3 GLU A 34 13.660 -1.207 -2.669 1.00 0.72 H new ATOM 0 HG2 GLU A 34 15.704 -2.119 -1.862 1.00 0.96 H new ATOM 0 HG3 GLU A 34 16.457 -2.068 -3.444 1.00 0.96 H new ATOM 498 N PRO A 35 12.079 -3.733 -5.281 1.00 0.41 N ATOM 499 CA PRO A 35 10.918 -3.760 -6.159 1.00 0.40 C ATOM 500 C PRO A 35 9.600 -3.819 -5.405 1.00 0.35 C ATOM 501 O PRO A 35 8.570 -4.197 -5.963 1.00 0.39 O ATOM 502 CB PRO A 35 11.137 -5.052 -6.935 1.00 0.48 C ATOM 503 CG PRO A 35 11.856 -5.964 -5.988 1.00 0.50 C ATOM 504 CD PRO A 35 12.499 -5.098 -4.928 1.00 0.46 C ATOM 0 HA PRO A 35 10.841 -2.860 -6.770 1.00 0.40 H new ATOM 0 HB2 PRO A 35 10.189 -5.485 -7.254 1.00 0.48 H new ATOM 0 HB3 PRO A 35 11.726 -4.875 -7.835 1.00 0.48 H new ATOM 0 HG2 PRO A 35 11.162 -6.673 -5.536 1.00 0.50 H new ATOM 0 HG3 PRO A 35 12.610 -6.548 -6.516 1.00 0.50 H new ATOM 0 HD2 PRO A 35 12.162 -5.374 -3.929 1.00 0.46 H new ATOM 0 HD3 PRO A 35 13.585 -5.196 -4.937 1.00 0.46 H new ATOM 512 N TRP A 36 9.631 -3.437 -4.146 1.00 0.30 N ATOM 513 CA TRP A 36 8.436 -3.455 -3.319 1.00 0.27 C ATOM 514 C TRP A 36 7.728 -2.113 -3.380 1.00 0.24 C ATOM 515 O TRP A 36 7.130 -1.666 -2.400 1.00 0.25 O ATOM 516 CB TRP A 36 8.791 -3.825 -1.872 1.00 0.28 C ATOM 517 CG TRP A 36 9.274 -5.244 -1.724 1.00 0.29 C ATOM 518 CD1 TRP A 36 10.124 -5.716 -0.767 1.00 0.32 C ATOM 519 CD2 TRP A 36 8.943 -6.373 -2.555 1.00 0.31 C ATOM 520 NE1 TRP A 36 10.339 -7.061 -0.943 1.00 0.34 N ATOM 521 CE2 TRP A 36 9.627 -7.488 -2.030 1.00 0.34 C ATOM 522 CE3 TRP A 36 8.135 -6.556 -3.685 1.00 0.35 C ATOM 523 CZ2 TRP A 36 9.529 -8.757 -2.595 1.00 0.38 C ATOM 524 CZ3 TRP A 36 8.039 -7.816 -4.244 1.00 0.41 C ATOM 525 CH2 TRP A 36 8.733 -8.903 -3.698 1.00 0.42 C ATOM 0 H TRP A 36 10.471 -3.109 -3.669 1.00 0.30 H new ATOM 0 HA TRP A 36 7.756 -4.214 -3.705 1.00 0.27 H new ATOM 0 HB2 TRP A 36 9.562 -3.146 -1.509 1.00 0.28 H new ATOM 0 HB3 TRP A 36 7.914 -3.679 -1.241 1.00 0.28 H new ATOM 0 HD1 TRP A 36 10.565 -5.118 0.017 1.00 0.32 H new ATOM 0 HE1 TRP A 36 10.934 -7.647 -0.357 1.00 0.34 H new ATOM 0 HE3 TRP A 36 7.595 -5.724 -4.113 1.00 0.35 H new ATOM 0 HZ2 TRP A 36 10.063 -9.597 -2.177 1.00 0.38 H new ATOM 0 HZ3 TRP A 36 7.419 -7.965 -5.116 1.00 0.41 H new ATOM 0 HH2 TRP A 36 8.638 -9.876 -4.157 1.00 0.42 H new ATOM 536 N ASP A 37 7.802 -1.481 -4.550 1.00 0.24 N ATOM 537 CA ASP A 37 7.158 -0.195 -4.785 1.00 0.21 C ATOM 538 C ASP A 37 5.679 -0.288 -4.445 1.00 0.21 C ATOM 539 O ASP A 37 5.079 -1.365 -4.531 1.00 0.24 O ATOM 540 CB ASP A 37 7.298 0.241 -6.249 1.00 0.25 C ATOM 541 CG ASP A 37 8.664 -0.031 -6.847 1.00 0.82 C ATOM 542 OD1 ASP A 37 9.052 -1.216 -6.958 1.00 1.21 O ATOM 543 OD2 ASP A 37 9.376 0.942 -7.174 1.00 1.59 O ATOM 0 H ASP A 37 8.308 -1.846 -5.357 1.00 0.24 H new ATOM 0 HA ASP A 37 7.649 0.541 -4.149 1.00 0.21 H new ATOM 0 HB2 ASP A 37 6.544 -0.274 -6.844 1.00 0.25 H new ATOM 0 HB3 ASP A 37 7.087 1.308 -6.321 1.00 0.25 H new ATOM 548 N ILE A 38 5.091 0.845 -4.092 1.00 0.20 N ATOM 549 CA ILE A 38 3.699 0.893 -3.650 1.00 0.20 C ATOM 550 C ILE A 38 2.771 0.270 -4.690 1.00 0.20 C ATOM 551 O ILE A 38 1.822 -0.432 -4.346 1.00 0.23 O ATOM 552 CB ILE A 38 3.249 2.347 -3.370 1.00 0.20 C ATOM 553 CG1 ILE A 38 4.333 3.099 -2.588 1.00 0.20 C ATOM 554 CG2 ILE A 38 1.930 2.358 -2.604 1.00 0.23 C ATOM 555 CD1 ILE A 38 4.764 2.428 -1.296 1.00 0.24 C ATOM 0 H ILE A 38 5.558 1.752 -4.102 1.00 0.20 H new ATOM 0 HA ILE A 38 3.637 0.319 -2.726 1.00 0.20 H new ATOM 0 HB ILE A 38 3.097 2.854 -4.323 1.00 0.20 H new ATOM 0 HG12 ILE A 38 5.207 3.219 -3.228 1.00 0.20 H new ATOM 0 HG13 ILE A 38 3.967 4.100 -2.357 1.00 0.20 H new ATOM 0 HG21 ILE A 38 1.628 3.388 -2.415 1.00 0.23 H new ATOM 0 HG22 ILE A 38 1.163 1.857 -3.194 1.00 0.23 H new ATOM 0 HG23 ILE A 38 2.056 1.837 -1.655 1.00 0.23 H new ATOM 0 HD11 ILE A 38 5.533 3.031 -0.812 1.00 0.24 H new ATOM 0 HD12 ILE A 38 3.905 2.333 -0.631 1.00 0.24 H new ATOM 0 HD13 ILE A 38 5.164 1.438 -1.516 1.00 0.24 H new ATOM 567 N ARG A 39 3.074 0.509 -5.961 1.00 0.19 N ATOM 568 CA ARG A 39 2.279 -0.027 -7.058 1.00 0.20 C ATOM 569 C ARG A 39 2.264 -1.561 -7.042 1.00 0.19 C ATOM 570 O ARG A 39 1.243 -2.177 -7.325 1.00 0.25 O ATOM 571 CB ARG A 39 2.802 0.504 -8.399 1.00 0.31 C ATOM 572 CG ARG A 39 4.270 0.212 -8.663 1.00 0.99 C ATOM 573 CD ARG A 39 4.451 -1.059 -9.473 1.00 1.11 C ATOM 574 NE ARG A 39 3.893 -0.924 -10.818 1.00 1.63 N ATOM 575 CZ ARG A 39 3.450 -1.947 -11.552 1.00 2.06 C ATOM 576 NH1 ARG A 39 3.613 -3.195 -11.127 1.00 2.03 N ATOM 577 NH2 ARG A 39 2.869 -1.715 -12.721 1.00 2.62 N ATOM 0 H ARG A 39 3.870 1.074 -6.258 1.00 0.19 H new ATOM 0 HA ARG A 39 1.250 0.309 -6.928 1.00 0.20 H new ATOM 0 HB2 ARG A 39 2.208 0.071 -9.204 1.00 0.31 H new ATOM 0 HB3 ARG A 39 2.647 1.582 -8.434 1.00 0.31 H new ATOM 0 HG2 ARG A 39 4.718 1.051 -9.196 1.00 0.99 H new ATOM 0 HG3 ARG A 39 4.799 0.118 -7.715 1.00 0.99 H new ATOM 0 HD2 ARG A 39 5.512 -1.300 -9.541 1.00 1.11 H new ATOM 0 HD3 ARG A 39 3.968 -1.890 -8.960 1.00 1.11 H new ATOM 0 HE ARG A 39 3.839 0.012 -11.221 1.00 1.63 H new ATOM 0 HH11 ARG A 39 4.078 -3.374 -10.237 1.00 2.03 H new ATOM 0 HH12 ARG A 39 3.273 -3.974 -11.691 1.00 2.03 H new ATOM 0 HH21 ARG A 39 2.762 -0.758 -13.056 1.00 2.62 H new ATOM 0 HH22 ARG A 39 2.529 -2.494 -13.285 1.00 2.62 H new ATOM 591 N ASN A 40 3.399 -2.169 -6.691 1.00 0.17 N ATOM 592 CA ASN A 40 3.517 -3.626 -6.648 1.00 0.18 C ATOM 593 C ASN A 40 2.798 -4.189 -5.436 1.00 0.18 C ATOM 594 O ASN A 40 2.128 -5.219 -5.517 1.00 0.22 O ATOM 595 CB ASN A 40 4.991 -4.028 -6.619 1.00 0.22 C ATOM 596 CG ASN A 40 5.665 -3.797 -7.952 1.00 0.40 C ATOM 597 OD1 ASN A 40 5.135 -4.162 -9.003 1.00 0.69 O ATOM 598 ND2 ASN A 40 6.802 -3.134 -7.925 1.00 0.59 N ATOM 0 H ASN A 40 4.251 -1.672 -6.432 1.00 0.17 H new ATOM 0 HA ASN A 40 3.051 -4.037 -7.543 1.00 0.18 H new ATOM 0 HB2 ASN A 40 5.508 -3.457 -5.847 1.00 0.22 H new ATOM 0 HB3 ASN A 40 5.075 -5.080 -6.347 1.00 0.22 H new ATOM 0 HD21 ASN A 40 7.279 -2.904 -8.797 1.00 0.59 H new ATOM 0 HD22 ASN A 40 7.206 -2.851 -7.032 1.00 0.59 H new ATOM 605 N LEU A 41 2.934 -3.497 -4.317 1.00 0.18 N ATOM 606 CA LEU A 41 2.310 -3.920 -3.072 1.00 0.19 C ATOM 607 C LEU A 41 0.798 -3.795 -3.144 1.00 0.19 C ATOM 608 O LEU A 41 0.078 -4.605 -2.566 1.00 0.21 O ATOM 609 CB LEU A 41 2.872 -3.118 -1.899 1.00 0.21 C ATOM 610 CG LEU A 41 4.127 -3.718 -1.267 1.00 0.26 C ATOM 611 CD1 LEU A 41 3.763 -4.964 -0.479 1.00 0.32 C ATOM 612 CD2 LEU A 41 5.155 -4.062 -2.337 1.00 0.29 C ATOM 0 H LEU A 41 3.474 -2.635 -4.244 1.00 0.18 H new ATOM 0 HA LEU A 41 2.543 -4.973 -2.913 1.00 0.19 H new ATOM 0 HB2 LEU A 41 3.100 -2.108 -2.241 1.00 0.21 H new ATOM 0 HB3 LEU A 41 2.101 -3.029 -1.133 1.00 0.21 H new ATOM 0 HG LEU A 41 4.563 -2.980 -0.593 1.00 0.26 H new ATOM 0 HD11 LEU A 41 4.662 -5.387 -0.031 1.00 0.32 H new ATOM 0 HD12 LEU A 41 3.054 -4.703 0.307 1.00 0.32 H new ATOM 0 HD13 LEU A 41 3.311 -5.698 -1.147 1.00 0.32 H new ATOM 0 HD21 LEU A 41 6.041 -4.488 -1.867 1.00 0.29 H new ATOM 0 HD22 LEU A 41 4.729 -4.786 -3.031 1.00 0.29 H new ATOM 0 HD23 LEU A 41 5.431 -3.158 -2.880 1.00 0.29 H new ATOM 624 N LEU A 42 0.321 -2.790 -3.863 1.00 0.19 N ATOM 625 CA LEU A 42 -1.100 -2.666 -4.133 1.00 0.23 C ATOM 626 C LEU A 42 -1.591 -3.900 -4.879 1.00 0.21 C ATOM 627 O LEU A 42 -2.661 -4.411 -4.595 1.00 0.26 O ATOM 628 CB LEU A 42 -1.376 -1.386 -4.931 1.00 0.30 C ATOM 629 CG LEU A 42 -2.252 -1.534 -6.181 1.00 0.47 C ATOM 630 CD1 LEU A 42 -3.708 -1.823 -5.830 1.00 0.91 C ATOM 631 CD2 LEU A 42 -2.145 -0.280 -7.017 1.00 0.82 C ATOM 0 H LEU A 42 0.896 -2.052 -4.268 1.00 0.19 H new ATOM 0 HA LEU A 42 -1.644 -2.597 -3.191 1.00 0.23 H new ATOM 0 HB2 LEU A 42 -1.850 -0.665 -4.265 1.00 0.30 H new ATOM 0 HB3 LEU A 42 -0.420 -0.960 -5.233 1.00 0.30 H new ATOM 0 HG LEU A 42 -1.889 -2.389 -6.752 1.00 0.47 H new ATOM 0 HD11 LEU A 42 -4.291 -1.920 -6.746 1.00 0.91 H new ATOM 0 HD12 LEU A 42 -3.768 -2.751 -5.262 1.00 0.91 H new ATOM 0 HD13 LEU A 42 -4.107 -1.005 -5.231 1.00 0.91 H new ATOM 0 HD21 LEU A 42 -2.767 -0.382 -7.907 1.00 0.82 H new ATOM 0 HD22 LEU A 42 -2.484 0.576 -6.434 1.00 0.82 H new ATOM 0 HD23 LEU A 42 -1.107 -0.129 -7.315 1.00 0.82 H new ATOM 643 N VAL A 43 -0.790 -4.387 -5.815 1.00 0.20 N ATOM 644 CA VAL A 43 -1.142 -5.578 -6.577 1.00 0.22 C ATOM 645 C VAL A 43 -1.198 -6.783 -5.662 1.00 0.22 C ATOM 646 O VAL A 43 -2.134 -7.584 -5.729 1.00 0.24 O ATOM 647 CB VAL A 43 -0.130 -5.857 -7.699 1.00 0.27 C ATOM 648 CG1 VAL A 43 -0.527 -7.100 -8.468 1.00 0.31 C ATOM 649 CG2 VAL A 43 -0.008 -4.661 -8.621 1.00 0.32 C ATOM 0 H VAL A 43 0.109 -3.976 -6.066 1.00 0.20 H new ATOM 0 HA VAL A 43 -2.119 -5.397 -7.026 1.00 0.22 H new ATOM 0 HB VAL A 43 0.848 -6.032 -7.250 1.00 0.27 H new ATOM 0 HG11 VAL A 43 0.199 -7.285 -9.260 1.00 0.31 H new ATOM 0 HG12 VAL A 43 -0.552 -7.954 -7.791 1.00 0.31 H new ATOM 0 HG13 VAL A 43 -1.514 -6.956 -8.907 1.00 0.31 H new ATOM 0 HG21 VAL A 43 0.714 -4.880 -9.408 1.00 0.32 H new ATOM 0 HG22 VAL A 43 -0.978 -4.446 -9.068 1.00 0.32 H new ATOM 0 HG23 VAL A 43 0.329 -3.795 -8.051 1.00 0.32 H new ATOM 659 N TRP A 44 -0.189 -6.899 -4.809 1.00 0.23 N ATOM 660 CA TRP A 44 -0.153 -7.951 -3.811 1.00 0.27 C ATOM 661 C TRP A 44 -1.425 -7.904 -2.977 1.00 0.28 C ATOM 662 O TRP A 44 -2.088 -8.916 -2.770 1.00 0.33 O ATOM 663 CB TRP A 44 1.075 -7.782 -2.905 1.00 0.31 C ATOM 664 CG TRP A 44 1.181 -8.822 -1.830 1.00 0.41 C ATOM 665 CD1 TRP A 44 0.609 -8.784 -0.588 1.00 0.45 C ATOM 666 CD2 TRP A 44 1.902 -10.054 -1.900 1.00 0.54 C ATOM 667 NE1 TRP A 44 0.923 -9.922 0.113 1.00 0.56 N ATOM 668 CE2 TRP A 44 1.718 -10.717 -0.670 1.00 0.61 C ATOM 669 CE3 TRP A 44 2.680 -10.666 -2.884 1.00 0.65 C ATOM 670 CZ2 TRP A 44 2.287 -11.958 -0.403 1.00 0.76 C ATOM 671 CZ3 TRP A 44 3.247 -11.897 -2.616 1.00 0.81 C ATOM 672 CH2 TRP A 44 3.046 -12.532 -1.384 1.00 0.85 C ATOM 0 H TRP A 44 0.616 -6.273 -4.791 1.00 0.23 H new ATOM 0 HA TRP A 44 -0.085 -8.916 -4.313 1.00 0.27 H new ATOM 0 HB2 TRP A 44 1.975 -7.814 -3.519 1.00 0.31 H new ATOM 0 HB3 TRP A 44 1.040 -6.796 -2.442 1.00 0.31 H new ATOM 0 HD1 TRP A 44 -0.001 -7.976 -0.213 1.00 0.45 H new ATOM 0 HE1 TRP A 44 0.615 -10.140 1.061 1.00 0.56 H new ATOM 0 HE3 TRP A 44 2.836 -10.185 -3.839 1.00 0.65 H new ATOM 0 HZ2 TRP A 44 2.134 -12.450 0.546 1.00 0.76 H new ATOM 0 HZ3 TRP A 44 3.855 -12.377 -3.368 1.00 0.81 H new ATOM 0 HH2 TRP A 44 3.500 -13.495 -1.205 1.00 0.85 H new ATOM 683 N ILE A 45 -1.770 -6.707 -2.533 1.00 0.26 N ATOM 684 CA ILE A 45 -2.948 -6.511 -1.704 1.00 0.29 C ATOM 685 C ILE A 45 -4.229 -6.745 -2.498 1.00 0.31 C ATOM 686 O ILE A 45 -5.132 -7.442 -2.042 1.00 0.37 O ATOM 687 CB ILE A 45 -2.964 -5.094 -1.096 1.00 0.31 C ATOM 688 CG1 ILE A 45 -1.850 -4.954 -0.059 1.00 0.36 C ATOM 689 CG2 ILE A 45 -4.314 -4.787 -0.475 1.00 0.36 C ATOM 690 CD1 ILE A 45 -1.812 -3.595 0.603 1.00 0.47 C ATOM 0 H ILE A 45 -1.249 -5.853 -2.734 1.00 0.26 H new ATOM 0 HA ILE A 45 -2.902 -7.242 -0.897 1.00 0.29 H new ATOM 0 HB ILE A 45 -2.791 -4.374 -1.895 1.00 0.31 H new ATOM 0 HG12 ILE A 45 -1.978 -5.719 0.707 1.00 0.36 H new ATOM 0 HG13 ILE A 45 -0.890 -5.142 -0.540 1.00 0.36 H new ATOM 0 HG21 ILE A 45 -4.300 -3.782 -0.053 1.00 0.36 H new ATOM 0 HG22 ILE A 45 -5.089 -4.849 -1.239 1.00 0.36 H new ATOM 0 HG23 ILE A 45 -4.524 -5.509 0.314 1.00 0.36 H new ATOM 0 HD11 ILE A 45 -0.998 -3.566 1.327 1.00 0.47 H new ATOM 0 HD12 ILE A 45 -1.653 -2.826 -0.153 1.00 0.47 H new ATOM 0 HD13 ILE A 45 -2.758 -3.412 1.113 1.00 0.47 H new ATOM 702 N LYS A 46 -4.298 -6.175 -3.687 1.00 0.29 N ATOM 703 CA LYS A 46 -5.484 -6.285 -4.517 1.00 0.35 C ATOM 704 C LYS A 46 -5.814 -7.749 -4.782 1.00 0.39 C ATOM 705 O LYS A 46 -6.912 -8.213 -4.484 1.00 0.44 O ATOM 706 CB LYS A 46 -5.301 -5.530 -5.838 1.00 0.39 C ATOM 707 CG LYS A 46 -6.548 -5.528 -6.709 1.00 0.91 C ATOM 708 CD LYS A 46 -6.409 -4.590 -7.898 1.00 0.91 C ATOM 709 CE LYS A 46 -7.656 -4.623 -8.768 1.00 1.26 C ATOM 710 NZ LYS A 46 -7.610 -3.608 -9.851 1.00 1.93 N ATOM 0 H LYS A 46 -3.543 -5.629 -4.101 1.00 0.29 H new ATOM 0 HA LYS A 46 -6.317 -5.831 -3.980 1.00 0.35 H new ATOM 0 HB2 LYS A 46 -5.015 -4.500 -5.623 1.00 0.39 H new ATOM 0 HB3 LYS A 46 -4.479 -5.980 -6.394 1.00 0.39 H new ATOM 0 HG2 LYS A 46 -6.743 -6.539 -7.066 1.00 0.91 H new ATOM 0 HG3 LYS A 46 -7.408 -5.230 -6.110 1.00 0.91 H new ATOM 0 HD2 LYS A 46 -6.234 -3.574 -7.545 1.00 0.91 H new ATOM 0 HD3 LYS A 46 -5.540 -4.875 -8.491 1.00 0.91 H new ATOM 0 HE2 LYS A 46 -7.765 -5.615 -9.206 1.00 1.26 H new ATOM 0 HE3 LYS A 46 -8.535 -4.450 -8.147 1.00 1.26 H new ATOM 0 HZ1 LYS A 46 -8.479 -3.666 -10.419 1.00 1.93 H new ATOM 0 HZ2 LYS A 46 -7.532 -2.659 -9.434 1.00 1.93 H new ATOM 0 HZ3 LYS A 46 -6.786 -3.787 -10.460 1.00 1.93 H new ATOM 724 N LYS A 47 -4.849 -8.482 -5.310 1.00 0.41 N ATOM 725 CA LYS A 47 -5.081 -9.876 -5.666 1.00 0.52 C ATOM 726 C LYS A 47 -5.104 -10.794 -4.442 1.00 0.57 C ATOM 727 O LYS A 47 -6.062 -11.540 -4.239 1.00 0.78 O ATOM 728 CB LYS A 47 -4.019 -10.359 -6.649 1.00 0.65 C ATOM 729 CG LYS A 47 -3.961 -9.552 -7.934 1.00 1.31 C ATOM 730 CD LYS A 47 -3.093 -10.241 -8.972 1.00 1.66 C ATOM 731 CE LYS A 47 -1.684 -10.484 -8.457 1.00 2.33 C ATOM 732 NZ LYS A 47 -0.897 -11.340 -9.382 1.00 2.96 N ATOM 0 H LYS A 47 -3.906 -8.142 -5.501 1.00 0.41 H new ATOM 0 HA LYS A 47 -6.064 -9.923 -6.134 1.00 0.52 H new ATOM 0 HB2 LYS A 47 -3.044 -10.322 -6.163 1.00 0.65 H new ATOM 0 HB3 LYS A 47 -4.213 -11.403 -6.895 1.00 0.65 H new ATOM 0 HG2 LYS A 47 -4.968 -9.417 -8.329 1.00 1.31 H new ATOM 0 HG3 LYS A 47 -3.565 -8.558 -7.726 1.00 1.31 H new ATOM 0 HD2 LYS A 47 -3.547 -11.192 -9.252 1.00 1.66 H new ATOM 0 HD3 LYS A 47 -3.050 -9.630 -9.874 1.00 1.66 H new ATOM 0 HE2 LYS A 47 -1.176 -9.529 -8.325 1.00 2.33 H new ATOM 0 HE3 LYS A 47 -1.732 -10.958 -7.476 1.00 2.33 H new ATOM 0 HZ1 LYS A 47 0.058 -11.482 -8.995 1.00 2.96 H new ATOM 0 HZ2 LYS A 47 -1.368 -12.261 -9.488 1.00 2.96 H new ATOM 0 HZ3 LYS A 47 -0.829 -10.877 -10.311 1.00 2.96 H new ATOM 746 N ASN A 48 -4.059 -10.733 -3.622 1.00 0.50 N ATOM 747 CA ASN A 48 -3.875 -11.707 -2.545 1.00 0.58 C ATOM 748 C ASN A 48 -4.714 -11.386 -1.314 1.00 0.58 C ATOM 749 O ASN A 48 -5.078 -12.291 -0.560 1.00 0.77 O ATOM 750 CB ASN A 48 -2.400 -11.803 -2.142 1.00 0.61 C ATOM 751 CG ASN A 48 -1.539 -12.509 -3.174 1.00 1.41 C ATOM 752 OD1 ASN A 48 -1.835 -12.502 -4.370 1.00 2.21 O ATOM 753 ND2 ASN A 48 -0.460 -13.122 -2.714 1.00 2.09 N ATOM 0 H ASN A 48 -3.328 -10.024 -3.680 1.00 0.50 H new ATOM 0 HA ASN A 48 -4.213 -12.665 -2.940 1.00 0.58 H new ATOM 0 HB2 ASN A 48 -2.009 -10.799 -1.979 1.00 0.61 H new ATOM 0 HB3 ASN A 48 -2.324 -12.333 -1.192 1.00 0.61 H new ATOM 0 HD21 ASN A 48 0.162 -13.612 -3.357 1.00 2.09 H new ATOM 0 HD22 ASN A 48 -0.250 -13.104 -1.716 1.00 2.09 H new ATOM 760 N LEU A 49 -5.020 -10.114 -1.098 1.00 0.42 N ATOM 761 CA LEU A 49 -5.748 -9.717 0.102 1.00 0.44 C ATOM 762 C LEU A 49 -7.224 -9.470 -0.162 1.00 0.39 C ATOM 763 O LEU A 49 -8.066 -9.951 0.596 1.00 0.39 O ATOM 764 CB LEU A 49 -5.139 -8.470 0.745 1.00 0.50 C ATOM 765 CG LEU A 49 -3.939 -8.705 1.666 1.00 0.57 C ATOM 766 CD1 LEU A 49 -3.718 -7.486 2.549 1.00 1.32 C ATOM 767 CD2 LEU A 49 -4.133 -9.954 2.515 1.00 1.10 C ATOM 0 H LEU A 49 -4.780 -9.348 -1.727 1.00 0.42 H new ATOM 0 HA LEU A 49 -5.660 -10.559 0.789 1.00 0.44 H new ATOM 0 HB2 LEU A 49 -4.834 -7.789 -0.049 1.00 0.50 H new ATOM 0 HB3 LEU A 49 -5.917 -7.964 1.317 1.00 0.50 H new ATOM 0 HG LEU A 49 -3.055 -8.860 1.047 1.00 0.57 H new ATOM 0 HD11 LEU A 49 -2.863 -7.660 3.202 1.00 1.32 H new ATOM 0 HD12 LEU A 49 -3.526 -6.614 1.924 1.00 1.32 H new ATOM 0 HD13 LEU A 49 -4.607 -7.310 3.155 1.00 1.32 H new ATOM 0 HD21 LEU A 49 -3.265 -10.095 3.159 1.00 1.10 H new ATOM 0 HD22 LEU A 49 -5.026 -9.841 3.130 1.00 1.10 H new ATOM 0 HD23 LEU A 49 -4.247 -10.822 1.865 1.00 1.10 H new ATOM 779 N LEU A 50 -7.542 -8.724 -1.218 1.00 0.39 N ATOM 780 CA LEU A 50 -8.918 -8.299 -1.443 1.00 0.39 C ATOM 781 C LEU A 50 -9.820 -9.511 -1.665 1.00 0.41 C ATOM 782 O LEU A 50 -9.775 -10.159 -2.712 1.00 0.50 O ATOM 783 CB LEU A 50 -8.998 -7.335 -2.630 1.00 0.47 C ATOM 784 CG LEU A 50 -10.017 -6.199 -2.492 1.00 0.44 C ATOM 785 CD1 LEU A 50 -11.405 -6.738 -2.192 1.00 0.51 C ATOM 786 CD2 LEU A 50 -9.576 -5.228 -1.412 1.00 0.62 C ATOM 0 H LEU A 50 -6.875 -8.406 -1.921 1.00 0.39 H new ATOM 0 HA LEU A 50 -9.267 -7.771 -0.555 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -8.012 -6.898 -2.787 1.00 0.47 H new ATOM 0 HB3 LEU A 50 -9.239 -7.908 -3.525 1.00 0.47 H new ATOM 0 HG LEU A 50 -10.065 -5.669 -3.443 1.00 0.44 H new ATOM 0 HD11 LEU A 50 -12.106 -5.908 -2.100 1.00 0.51 H new ATOM 0 HD12 LEU A 50 -11.724 -7.394 -3.002 1.00 0.51 H new ATOM 0 HD13 LEU A 50 -11.383 -7.300 -1.258 1.00 0.51 H new ATOM 0 HD21 LEU A 50 -10.308 -4.425 -1.323 1.00 0.62 H new ATOM 0 HD22 LEU A 50 -9.497 -5.754 -0.460 1.00 0.62 H new ATOM 0 HD23 LEU A 50 -8.606 -4.807 -1.676 1.00 0.62 H new ATOM 798 N LYS A 51 -10.614 -9.815 -0.648 1.00 0.40 N ATOM 799 CA LYS A 51 -11.492 -10.973 -0.656 1.00 0.47 C ATOM 800 C LYS A 51 -12.649 -10.785 -1.629 1.00 0.52 C ATOM 801 O LYS A 51 -12.995 -11.692 -2.390 1.00 0.63 O ATOM 802 CB LYS A 51 -12.041 -11.212 0.754 1.00 0.52 C ATOM 803 CG LYS A 51 -10.971 -11.502 1.803 1.00 0.57 C ATOM 804 CD LYS A 51 -10.404 -12.911 1.669 1.00 1.08 C ATOM 805 CE LYS A 51 -11.484 -13.981 1.804 1.00 1.81 C ATOM 806 NZ LYS A 51 -12.241 -13.880 3.085 1.00 2.26 N ATOM 0 H LYS A 51 -10.666 -9.263 0.208 1.00 0.40 H new ATOM 0 HA LYS A 51 -10.912 -11.837 -0.981 1.00 0.47 H new ATOM 0 HB2 LYS A 51 -12.609 -10.335 1.064 1.00 0.52 H new ATOM 0 HB3 LYS A 51 -12.739 -12.049 0.723 1.00 0.52 H new ATOM 0 HG2 LYS A 51 -10.164 -10.776 1.707 1.00 0.57 H new ATOM 0 HG3 LYS A 51 -11.396 -11.376 2.799 1.00 0.57 H new ATOM 0 HD2 LYS A 51 -9.913 -13.013 0.701 1.00 1.08 H new ATOM 0 HD3 LYS A 51 -9.641 -13.068 2.432 1.00 1.08 H new ATOM 0 HE2 LYS A 51 -12.179 -13.896 0.969 1.00 1.81 H new ATOM 0 HE3 LYS A 51 -11.023 -14.966 1.736 1.00 1.81 H new ATOM 0 HZ1 LYS A 51 -12.373 -14.830 3.486 1.00 2.26 H new ATOM 0 HZ2 LYS A 51 -11.709 -13.292 3.757 1.00 2.26 H new ATOM 0 HZ3 LYS A 51 -13.170 -13.447 2.906 1.00 2.26 H new ATOM 820 N GLU A 52 -13.245 -9.605 -1.599 1.00 0.52 N ATOM 821 CA GLU A 52 -14.405 -9.314 -2.427 1.00 0.59 C ATOM 822 C GLU A 52 -13.987 -8.669 -3.745 1.00 0.58 C ATOM 823 O GLU A 52 -12.812 -8.702 -4.116 1.00 0.72 O ATOM 824 CB GLU A 52 -15.384 -8.412 -1.667 1.00 0.66 C ATOM 825 CG GLU A 52 -14.793 -7.096 -1.187 1.00 0.64 C ATOM 826 CD GLU A 52 -15.830 -6.242 -0.487 1.00 0.90 C ATOM 827 OE1 GLU A 52 -16.772 -5.774 -1.162 1.00 1.15 O ATOM 828 OE2 GLU A 52 -15.723 -6.049 0.743 1.00 1.16 O ATOM 0 H GLU A 52 -12.944 -8.830 -1.008 1.00 0.52 H new ATOM 0 HA GLU A 52 -14.906 -10.253 -2.660 1.00 0.59 H new ATOM 0 HB2 GLU A 52 -16.236 -8.198 -2.313 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -15.767 -8.959 -0.805 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -13.965 -7.295 -0.507 1.00 0.64 H new ATOM 0 HG3 GLU A 52 -14.383 -6.549 -2.036 1.00 0.64 H new ATOM 835 N ARG A 53 -14.955 -8.110 -4.462 1.00 0.65 N ATOM 836 CA ARG A 53 -14.676 -7.425 -5.715 1.00 0.68 C ATOM 837 C ARG A 53 -13.845 -6.166 -5.462 1.00 0.59 C ATOM 838 O ARG A 53 -14.230 -5.297 -4.681 1.00 0.65 O ATOM 839 CB ARG A 53 -15.978 -7.066 -6.441 1.00 0.87 C ATOM 840 CG ARG A 53 -16.909 -6.188 -5.624 1.00 1.34 C ATOM 841 CD ARG A 53 -18.116 -5.741 -6.428 1.00 1.78 C ATOM 842 NE ARG A 53 -19.002 -4.899 -5.632 1.00 2.46 N ATOM 843 CZ ARG A 53 -19.729 -3.905 -6.133 1.00 3.32 C ATOM 844 NH1 ARG A 53 -19.653 -3.607 -7.425 1.00 3.80 N ATOM 845 NH2 ARG A 53 -20.521 -3.198 -5.334 1.00 4.10 N ATOM 0 H ARG A 53 -15.940 -8.119 -4.196 1.00 0.65 H new ATOM 0 HA ARG A 53 -14.103 -8.100 -6.351 1.00 0.68 H new ATOM 0 HB2 ARG A 53 -15.735 -6.555 -7.373 1.00 0.87 H new ATOM 0 HB3 ARG A 53 -16.500 -7.985 -6.708 1.00 0.87 H new ATOM 0 HG2 ARG A 53 -17.243 -6.735 -4.742 1.00 1.34 H new ATOM 0 HG3 ARG A 53 -16.365 -5.313 -5.270 1.00 1.34 H new ATOM 0 HD2 ARG A 53 -17.785 -5.192 -7.310 1.00 1.78 H new ATOM 0 HD3 ARG A 53 -18.663 -6.615 -6.783 1.00 1.78 H new ATOM 0 HE ARG A 53 -19.068 -5.084 -4.631 1.00 2.46 H new ATOM 0 HH11 ARG A 53 -19.036 -4.141 -8.036 1.00 3.80 H new ATOM 0 HH12 ARG A 53 -20.212 -2.844 -7.806 1.00 3.80 H new ATOM 0 HH21 ARG A 53 -20.570 -3.418 -4.339 1.00 4.10 H new ATOM 0 HH22 ARG A 53 -21.080 -2.435 -5.715 1.00 4.10 H new ATOM 859 N PRO A 54 -12.685 -6.063 -6.120 1.00 0.55 N ATOM 860 CA PRO A 54 -11.769 -4.917 -5.978 1.00 0.53 C ATOM 861 C PRO A 54 -12.333 -3.617 -6.552 1.00 0.57 C ATOM 862 O PRO A 54 -11.666 -2.586 -6.546 1.00 0.59 O ATOM 863 CB PRO A 54 -10.554 -5.334 -6.805 1.00 0.61 C ATOM 864 CG PRO A 54 -10.674 -6.808 -6.968 1.00 0.68 C ATOM 865 CD PRO A 54 -12.144 -7.077 -7.035 1.00 0.65 C ATOM 0 HA PRO A 54 -11.567 -4.709 -4.927 1.00 0.53 H new ATOM 0 HB2 PRO A 54 -10.546 -4.831 -7.772 1.00 0.61 H new ATOM 0 HB3 PRO A 54 -9.625 -5.069 -6.300 1.00 0.61 H new ATOM 0 HG2 PRO A 54 -10.170 -7.146 -7.873 1.00 0.68 H new ATOM 0 HG3 PRO A 54 -10.215 -7.335 -6.132 1.00 0.68 H new ATOM 0 HD2 PRO A 54 -12.534 -6.962 -8.047 1.00 0.65 H new ATOM 0 HD3 PRO A 54 -12.388 -8.089 -6.712 1.00 0.65 H new ATOM 873 N GLU A 55 -13.543 -3.686 -7.074 1.00 0.64 N ATOM 874 CA GLU A 55 -14.182 -2.539 -7.715 1.00 0.75 C ATOM 875 C GLU A 55 -14.370 -1.365 -6.759 1.00 0.69 C ATOM 876 O GLU A 55 -14.280 -0.207 -7.170 1.00 0.80 O ATOM 877 CB GLU A 55 -15.533 -2.935 -8.302 1.00 0.92 C ATOM 878 CG GLU A 55 -15.479 -4.180 -9.162 1.00 1.39 C ATOM 879 CD GLU A 55 -16.685 -4.304 -10.062 1.00 1.89 C ATOM 880 OE1 GLU A 55 -17.804 -4.466 -9.533 1.00 2.43 O ATOM 881 OE2 GLU A 55 -16.516 -4.259 -11.301 1.00 2.27 O ATOM 0 H GLU A 55 -14.113 -4.532 -7.069 1.00 0.64 H new ATOM 0 HA GLU A 55 -13.512 -2.217 -8.512 1.00 0.75 H new ATOM 0 HB2 GLU A 55 -16.240 -3.096 -7.488 1.00 0.92 H new ATOM 0 HB3 GLU A 55 -15.917 -2.108 -8.899 1.00 0.92 H new ATOM 0 HG2 GLU A 55 -14.575 -4.161 -9.770 1.00 1.39 H new ATOM 0 HG3 GLU A 55 -15.414 -5.060 -8.521 1.00 1.39 H new ATOM 888 N LEU A 56 -14.644 -1.660 -5.496 1.00 0.64 N ATOM 889 CA LEU A 56 -14.779 -0.614 -4.486 1.00 0.68 C ATOM 890 C LEU A 56 -13.432 -0.328 -3.833 1.00 0.59 C ATOM 891 O LEU A 56 -13.310 0.516 -2.946 1.00 0.69 O ATOM 892 CB LEU A 56 -15.824 -0.997 -3.431 1.00 0.81 C ATOM 893 CG LEU A 56 -15.900 -2.483 -3.063 1.00 1.09 C ATOM 894 CD1 LEU A 56 -14.588 -2.983 -2.481 1.00 1.86 C ATOM 895 CD2 LEU A 56 -17.036 -2.716 -2.084 1.00 2.05 C ATOM 0 H LEU A 56 -14.777 -2.609 -5.145 1.00 0.64 H new ATOM 0 HA LEU A 56 -15.123 0.294 -4.981 1.00 0.68 H new ATOM 0 HB2 LEU A 56 -15.619 -0.429 -2.523 1.00 0.81 H new ATOM 0 HB3 LEU A 56 -16.804 -0.682 -3.789 1.00 0.81 H new ATOM 0 HG LEU A 56 -16.090 -3.047 -3.976 1.00 1.09 H new ATOM 0 HD11 LEU A 56 -14.680 -4.040 -2.232 1.00 1.86 H new ATOM 0 HD12 LEU A 56 -13.791 -2.850 -3.213 1.00 1.86 H new ATOM 0 HD13 LEU A 56 -14.351 -2.417 -1.580 1.00 1.86 H new ATOM 0 HD21 LEU A 56 -17.084 -3.774 -1.827 1.00 2.05 H new ATOM 0 HD22 LEU A 56 -16.864 -2.131 -1.181 1.00 2.05 H new ATOM 0 HD23 LEU A 56 -17.978 -2.411 -2.540 1.00 2.05 H new ATOM 907 N PHE A 57 -12.422 -1.037 -4.303 1.00 0.47 N ATOM 908 CA PHE A 57 -11.070 -0.870 -3.820 1.00 0.41 C ATOM 909 C PHE A 57 -10.308 0.020 -4.809 1.00 0.37 C ATOM 910 O PHE A 57 -10.901 0.560 -5.743 1.00 0.37 O ATOM 911 CB PHE A 57 -10.429 -2.260 -3.645 1.00 0.38 C ATOM 912 CG PHE A 57 -9.067 -2.278 -3.003 1.00 0.35 C ATOM 913 CD1 PHE A 57 -8.881 -1.779 -1.727 1.00 0.35 C ATOM 914 CD2 PHE A 57 -7.977 -2.815 -3.675 1.00 0.37 C ATOM 915 CE1 PHE A 57 -7.636 -1.810 -1.129 1.00 0.36 C ATOM 916 CE2 PHE A 57 -6.730 -2.851 -3.081 1.00 0.38 C ATOM 917 CZ PHE A 57 -6.559 -2.347 -1.807 1.00 0.35 C ATOM 0 H PHE A 57 -12.520 -1.745 -5.031 1.00 0.47 H new ATOM 0 HA PHE A 57 -11.045 -0.379 -2.847 1.00 0.41 H new ATOM 0 HB2 PHE A 57 -11.100 -2.876 -3.046 1.00 0.38 H new ATOM 0 HB3 PHE A 57 -10.354 -2.731 -4.625 1.00 0.38 H new ATOM 0 HD1 PHE A 57 -9.720 -1.360 -1.191 1.00 0.35 H new ATOM 0 HD2 PHE A 57 -8.105 -3.209 -4.672 1.00 0.37 H new ATOM 0 HE1 PHE A 57 -7.505 -1.415 -0.132 1.00 0.36 H new ATOM 0 HE2 PHE A 57 -5.890 -3.273 -3.613 1.00 0.38 H new ATOM 0 HZ PHE A 57 -5.585 -2.373 -1.341 1.00 0.35 H new ATOM 927 N ILE A 58 -9.016 0.169 -4.610 1.00 0.36 N ATOM 928 CA ILE A 58 -8.216 1.128 -5.358 1.00 0.36 C ATOM 929 C ILE A 58 -7.823 0.639 -6.752 1.00 0.30 C ATOM 930 O ILE A 58 -7.897 -0.551 -7.062 1.00 0.30 O ATOM 931 CB ILE A 58 -6.936 1.477 -4.586 1.00 0.45 C ATOM 932 CG1 ILE A 58 -6.098 0.224 -4.369 1.00 0.51 C ATOM 933 CG2 ILE A 58 -7.282 2.122 -3.260 1.00 0.97 C ATOM 934 CD1 ILE A 58 -4.860 0.454 -3.529 1.00 0.90 C ATOM 0 H ILE A 58 -8.486 -0.370 -3.925 1.00 0.36 H new ATOM 0 HA ILE A 58 -8.849 2.007 -5.481 1.00 0.36 H new ATOM 0 HB ILE A 58 -6.353 2.188 -5.172 1.00 0.45 H new ATOM 0 HG12 ILE A 58 -6.715 -0.536 -3.889 1.00 0.51 H new ATOM 0 HG13 ILE A 58 -5.799 -0.174 -5.339 1.00 0.51 H new ATOM 0 HG21 ILE A 58 -6.365 2.364 -2.723 1.00 0.97 H new ATOM 0 HG22 ILE A 58 -7.851 3.035 -3.437 1.00 0.97 H new ATOM 0 HG23 ILE A 58 -7.880 1.432 -2.665 1.00 0.97 H new ATOM 0 HD11 ILE A 58 -4.316 -0.484 -3.419 1.00 0.90 H new ATOM 0 HD12 ILE A 58 -4.221 1.190 -4.017 1.00 0.90 H new ATOM 0 HD13 ILE A 58 -5.151 0.822 -2.545 1.00 0.90 H new ATOM 946 N GLN A 59 -7.410 1.600 -7.576 1.00 0.31 N ATOM 947 CA GLN A 59 -6.954 1.346 -8.937 1.00 0.30 C ATOM 948 C GLN A 59 -5.714 0.465 -8.907 1.00 0.27 C ATOM 949 O GLN A 59 -4.918 0.552 -7.973 1.00 0.29 O ATOM 950 CB GLN A 59 -6.600 2.673 -9.624 1.00 0.39 C ATOM 951 CG GLN A 59 -5.405 3.370 -8.978 1.00 0.56 C ATOM 952 CD GLN A 59 -5.004 4.670 -9.653 1.00 0.60 C ATOM 953 OE1 GLN A 59 -5.831 5.353 -10.252 1.00 1.35 O ATOM 954 NE2 GLN A 59 -3.728 5.035 -9.536 1.00 0.58 N ATOM 0 H GLN A 59 -7.383 2.585 -7.313 1.00 0.31 H new ATOM 0 HA GLN A 59 -7.751 0.846 -9.488 1.00 0.30 H new ATOM 0 HB2 GLN A 59 -6.382 2.486 -10.675 1.00 0.39 H new ATOM 0 HB3 GLN A 59 -7.464 3.337 -9.591 1.00 0.39 H new ATOM 0 HG2 GLN A 59 -5.638 3.573 -7.933 1.00 0.56 H new ATOM 0 HG3 GLN A 59 -4.553 2.690 -8.988 1.00 0.56 H new ATOM 0 HE21 GLN A 59 -3.072 4.440 -9.030 1.00 0.58 H new ATOM 0 HE22 GLN A 59 -3.407 5.909 -9.952 1.00 0.58 H new ATOM 963 N GLY A 60 -5.551 -0.380 -9.915 1.00 0.32 N ATOM 964 CA GLY A 60 -4.385 -1.245 -9.984 1.00 0.38 C ATOM 965 C GLY A 60 -3.143 -0.500 -10.442 1.00 0.37 C ATOM 966 O GLY A 60 -2.343 -1.019 -11.217 1.00 0.55 O ATOM 0 H GLY A 60 -6.206 -0.484 -10.690 1.00 0.32 H new ATOM 0 HA2 GLY A 60 -4.202 -1.684 -9.003 1.00 0.38 H new ATOM 0 HA3 GLY A 60 -4.586 -2.068 -10.669 1.00 0.38 H new ATOM 970 N ASP A 61 -2.992 0.724 -9.954 1.00 0.40 N ATOM 971 CA ASP A 61 -1.861 1.572 -10.305 1.00 0.46 C ATOM 972 C ASP A 61 -1.251 2.159 -9.040 1.00 0.44 C ATOM 973 O ASP A 61 -0.044 2.110 -8.843 1.00 0.54 O ATOM 974 CB ASP A 61 -2.296 2.704 -11.243 1.00 0.55 C ATOM 975 CG ASP A 61 -2.920 2.204 -12.530 1.00 0.81 C ATOM 976 OD1 ASP A 61 -4.143 1.946 -12.541 1.00 0.96 O ATOM 977 OD2 ASP A 61 -2.197 2.085 -13.545 1.00 1.06 O ATOM 0 H ASP A 61 -3.649 1.156 -9.305 1.00 0.40 H new ATOM 0 HA ASP A 61 -1.120 0.963 -10.822 1.00 0.46 H new ATOM 0 HB2 ASP A 61 -3.011 3.343 -10.724 1.00 0.55 H new ATOM 0 HB3 ASP A 61 -1.431 3.322 -11.482 1.00 0.55 H new ATOM 982 N SER A 62 -2.113 2.681 -8.170 1.00 0.40 N ATOM 983 CA SER A 62 -1.683 3.270 -6.908 1.00 0.46 C ATOM 984 C SER A 62 -2.819 3.167 -5.886 1.00 0.47 C ATOM 985 O SER A 62 -2.832 2.269 -5.050 1.00 0.70 O ATOM 986 CB SER A 62 -1.257 4.733 -7.122 1.00 0.53 C ATOM 987 OG SER A 62 -0.629 5.276 -5.976 1.00 0.80 O ATOM 0 H SER A 62 -3.122 2.707 -8.320 1.00 0.40 H new ATOM 0 HA SER A 62 -0.820 2.726 -6.525 1.00 0.46 H new ATOM 0 HB2 SER A 62 -0.576 4.792 -7.971 1.00 0.53 H new ATOM 0 HB3 SER A 62 -2.132 5.332 -7.374 1.00 0.53 H new ATOM 0 HG SER A 62 -1.272 5.823 -5.479 1.00 0.80 H new ATOM 993 N VAL A 63 -3.784 4.074 -5.996 1.00 0.38 N ATOM 994 CA VAL A 63 -4.991 4.082 -5.161 1.00 0.37 C ATOM 995 C VAL A 63 -6.122 4.775 -5.902 1.00 0.40 C ATOM 996 O VAL A 63 -5.886 5.539 -6.835 1.00 0.52 O ATOM 997 CB VAL A 63 -4.807 4.819 -3.816 1.00 0.53 C ATOM 998 CG1 VAL A 63 -3.977 4.018 -2.834 1.00 0.83 C ATOM 999 CG2 VAL A 63 -4.203 6.184 -4.036 1.00 0.78 C ATOM 0 H VAL A 63 -3.754 4.835 -6.674 1.00 0.38 H new ATOM 0 HA VAL A 63 -5.213 3.036 -4.951 1.00 0.37 H new ATOM 0 HB VAL A 63 -5.797 4.940 -3.376 1.00 0.53 H new ATOM 0 HG11 VAL A 63 -3.875 4.576 -1.904 1.00 0.83 H new ATOM 0 HG12 VAL A 63 -4.469 3.066 -2.634 1.00 0.83 H new ATOM 0 HG13 VAL A 63 -2.989 3.834 -3.257 1.00 0.83 H new ATOM 0 HG21 VAL A 63 -4.081 6.687 -3.077 1.00 0.78 H new ATOM 0 HG22 VAL A 63 -3.230 6.078 -4.516 1.00 0.78 H new ATOM 0 HG23 VAL A 63 -4.860 6.774 -4.674 1.00 0.78 H new ATOM 1009 N ARG A 64 -7.345 4.501 -5.492 1.00 0.36 N ATOM 1010 CA ARG A 64 -8.502 5.217 -6.000 1.00 0.40 C ATOM 1011 C ARG A 64 -8.665 6.493 -5.188 1.00 0.40 C ATOM 1012 O ARG A 64 -8.060 6.614 -4.127 1.00 0.40 O ATOM 1013 CB ARG A 64 -9.762 4.351 -5.865 1.00 0.41 C ATOM 1014 CG ARG A 64 -10.128 4.046 -4.416 1.00 0.36 C ATOM 1015 CD ARG A 64 -11.355 3.159 -4.306 1.00 0.45 C ATOM 1016 NE ARG A 64 -12.568 3.807 -4.809 1.00 1.05 N ATOM 1017 CZ ARG A 64 -13.495 3.176 -5.529 1.00 1.39 C ATOM 1018 NH1 ARG A 64 -13.270 1.944 -5.954 1.00 1.63 N ATOM 1019 NH2 ARG A 64 -14.621 3.790 -5.869 1.00 2.05 N ATOM 0 H ARG A 64 -7.565 3.782 -4.803 1.00 0.36 H new ATOM 0 HA ARG A 64 -8.359 5.454 -7.054 1.00 0.40 H new ATOM 0 HB2 ARG A 64 -10.598 4.860 -6.345 1.00 0.41 H new ATOM 0 HB3 ARG A 64 -9.610 3.413 -6.400 1.00 0.41 H new ATOM 0 HG2 ARG A 64 -9.285 3.559 -3.926 1.00 0.36 H new ATOM 0 HG3 ARG A 64 -10.309 4.980 -3.885 1.00 0.36 H new ATOM 0 HD2 ARG A 64 -11.183 2.237 -4.862 1.00 0.45 H new ATOM 0 HD3 ARG A 64 -11.503 2.879 -3.263 1.00 0.45 H new ATOM 0 HE ARG A 64 -12.711 4.794 -4.597 1.00 1.05 H new ATOM 0 HH11 ARG A 64 -12.389 1.480 -5.730 1.00 1.63 H new ATOM 0 HH12 ARG A 64 -13.977 1.458 -6.505 1.00 1.63 H new ATOM 0 HH21 ARG A 64 -14.784 4.754 -5.579 1.00 2.05 H new ATOM 0 HH22 ARG A 64 -15.324 3.298 -6.420 1.00 2.05 H new ATOM 1033 N PRO A 65 -9.473 7.457 -5.656 1.00 0.49 N ATOM 1034 CA PRO A 65 -9.805 8.645 -4.862 1.00 0.53 C ATOM 1035 C PRO A 65 -10.381 8.262 -3.497 1.00 0.44 C ATOM 1036 O PRO A 65 -10.315 9.027 -2.535 1.00 0.51 O ATOM 1037 CB PRO A 65 -10.867 9.360 -5.697 1.00 0.65 C ATOM 1038 CG PRO A 65 -10.674 8.866 -7.092 1.00 0.72 C ATOM 1039 CD PRO A 65 -10.095 7.482 -6.991 1.00 0.61 C ATOM 0 HA PRO A 65 -8.928 9.260 -4.659 1.00 0.53 H new ATOM 0 HB2 PRO A 65 -11.870 9.133 -5.335 1.00 0.65 H new ATOM 0 HB3 PRO A 65 -10.746 10.442 -5.643 1.00 0.65 H new ATOM 0 HG2 PRO A 65 -11.622 8.849 -7.630 1.00 0.72 H new ATOM 0 HG3 PRO A 65 -10.005 9.525 -7.645 1.00 0.72 H new ATOM 0 HD2 PRO A 65 -10.866 6.718 -7.087 1.00 0.61 H new ATOM 0 HD3 PRO A 65 -9.363 7.296 -7.777 1.00 0.61 H new ATOM 1047 N GLY A 66 -10.954 7.064 -3.447 1.00 0.35 N ATOM 1048 CA GLY A 66 -11.516 6.533 -2.228 1.00 0.32 C ATOM 1049 C GLY A 66 -10.477 6.247 -1.156 1.00 0.25 C ATOM 1050 O GLY A 66 -10.613 6.718 -0.029 1.00 0.27 O ATOM 0 H GLY A 66 -11.038 6.442 -4.251 1.00 0.35 H new ATOM 0 HA2 GLY A 66 -12.246 7.241 -1.835 1.00 0.32 H new ATOM 0 HA3 GLY A 66 -12.054 5.613 -2.456 1.00 0.32 H new ATOM 1054 N ILE A 67 -9.446 5.463 -1.471 1.00 0.28 N ATOM 1055 CA ILE A 67 -8.440 5.162 -0.474 1.00 0.23 C ATOM 1056 C ILE A 67 -7.209 6.032 -0.646 1.00 0.24 C ATOM 1057 O ILE A 67 -6.581 6.051 -1.698 1.00 0.32 O ATOM 1058 CB ILE A 67 -8.040 3.686 -0.520 1.00 0.25 C ATOM 1059 CG1 ILE A 67 -9.297 2.826 -0.387 1.00 0.32 C ATOM 1060 CG2 ILE A 67 -7.037 3.365 0.582 1.00 0.21 C ATOM 1061 CD1 ILE A 67 -9.024 1.350 -0.289 1.00 0.34 C ATOM 0 H ILE A 67 -9.294 5.038 -2.386 1.00 0.28 H new ATOM 0 HA ILE A 67 -8.882 5.377 0.499 1.00 0.23 H new ATOM 0 HB ILE A 67 -7.557 3.469 -1.473 1.00 0.25 H new ATOM 0 HG12 ILE A 67 -9.848 3.142 0.498 1.00 0.32 H new ATOM 0 HG13 ILE A 67 -9.942 3.009 -1.246 1.00 0.32 H new ATOM 0 HG21 ILE A 67 -6.766 2.310 0.531 1.00 0.21 H new ATOM 0 HG22 ILE A 67 -6.144 3.976 0.450 1.00 0.21 H new ATOM 0 HG23 ILE A 67 -7.483 3.579 1.553 1.00 0.21 H new ATOM 0 HD11 ILE A 67 -9.967 0.811 -0.197 1.00 0.34 H new ATOM 0 HD12 ILE A 67 -8.501 1.016 -1.185 1.00 0.34 H new ATOM 0 HD13 ILE A 67 -8.406 1.152 0.587 1.00 0.34 H new ATOM 1073 N LEU A 68 -6.887 6.742 0.410 1.00 0.23 N ATOM 1074 CA LEU A 68 -5.710 7.586 0.456 1.00 0.29 C ATOM 1075 C LEU A 68 -4.658 6.885 1.289 1.00 0.28 C ATOM 1076 O LEU A 68 -4.958 6.434 2.388 1.00 0.41 O ATOM 1077 CB LEU A 68 -6.042 8.932 1.108 1.00 0.37 C ATOM 1078 CG LEU A 68 -7.361 9.574 0.672 1.00 0.40 C ATOM 1079 CD1 LEU A 68 -7.591 10.876 1.420 1.00 0.50 C ATOM 1080 CD2 LEU A 68 -7.371 9.817 -0.823 1.00 0.44 C ATOM 0 H LEU A 68 -7.437 6.752 1.269 1.00 0.23 H new ATOM 0 HA LEU A 68 -5.351 7.765 -0.558 1.00 0.29 H new ATOM 0 HB2 LEU A 68 -6.066 8.795 2.189 1.00 0.37 H new ATOM 0 HB3 LEU A 68 -5.232 9.629 0.893 1.00 0.37 H new ATOM 0 HG LEU A 68 -8.171 8.886 0.913 1.00 0.40 H new ATOM 0 HD11 LEU A 68 -8.533 11.319 1.098 1.00 0.50 H new ATOM 0 HD12 LEU A 68 -7.631 10.678 2.491 1.00 0.50 H new ATOM 0 HD13 LEU A 68 -6.774 11.566 1.209 1.00 0.50 H new ATOM 0 HD21 LEU A 68 -8.318 10.274 -1.111 1.00 0.44 H new ATOM 0 HD22 LEU A 68 -6.551 10.484 -1.089 1.00 0.44 H new ATOM 0 HD23 LEU A 68 -7.252 8.868 -1.347 1.00 0.44 H new ATOM 1092 N VAL A 69 -3.443 6.767 0.797 1.00 0.25 N ATOM 1093 CA VAL A 69 -2.426 6.104 1.584 1.00 0.27 C ATOM 1094 C VAL A 69 -1.359 7.072 2.027 1.00 0.19 C ATOM 1095 O VAL A 69 -1.028 8.039 1.336 1.00 0.21 O ATOM 1096 CB VAL A 69 -1.756 4.910 0.870 1.00 0.44 C ATOM 1097 CG1 VAL A 69 -2.796 3.960 0.321 1.00 1.05 C ATOM 1098 CG2 VAL A 69 -0.795 5.370 -0.212 1.00 0.81 C ATOM 0 H VAL A 69 -3.141 7.110 -0.115 1.00 0.25 H new ATOM 0 HA VAL A 69 -2.958 5.707 2.448 1.00 0.27 H new ATOM 0 HB VAL A 69 -1.166 4.370 1.610 1.00 0.44 H new ATOM 0 HG11 VAL A 69 -2.301 3.127 -0.178 1.00 1.05 H new ATOM 0 HG12 VAL A 69 -3.410 3.581 1.138 1.00 1.05 H new ATOM 0 HG13 VAL A 69 -3.428 4.486 -0.394 1.00 1.05 H new ATOM 0 HG21 VAL A 69 -0.344 4.501 -0.691 1.00 0.81 H new ATOM 0 HG22 VAL A 69 -1.337 5.954 -0.956 1.00 0.81 H new ATOM 0 HG23 VAL A 69 -0.013 5.986 0.233 1.00 0.81 H new ATOM 1108 N LEU A 70 -0.851 6.810 3.201 1.00 0.18 N ATOM 1109 CA LEU A 70 0.291 7.520 3.709 1.00 0.16 C ATOM 1110 C LEU A 70 1.543 6.791 3.287 1.00 0.15 C ATOM 1111 O LEU A 70 1.680 5.597 3.537 1.00 0.19 O ATOM 1112 CB LEU A 70 0.257 7.605 5.238 1.00 0.22 C ATOM 1113 CG LEU A 70 -0.941 8.334 5.844 1.00 0.36 C ATOM 1114 CD1 LEU A 70 -0.843 8.332 7.362 1.00 0.95 C ATOM 1115 CD2 LEU A 70 -1.023 9.756 5.314 1.00 0.90 C ATOM 0 H LEU A 70 -1.218 6.098 3.832 1.00 0.18 H new ATOM 0 HA LEU A 70 0.277 8.533 3.308 1.00 0.16 H new ATOM 0 HB2 LEU A 70 0.280 6.592 5.639 1.00 0.22 H new ATOM 0 HB3 LEU A 70 1.167 8.102 5.574 1.00 0.22 H new ATOM 0 HG LEU A 70 -1.852 7.810 5.555 1.00 0.36 H new ATOM 0 HD11 LEU A 70 -1.702 8.854 7.783 1.00 0.95 H new ATOM 0 HD12 LEU A 70 -0.830 7.304 7.724 1.00 0.95 H new ATOM 0 HD13 LEU A 70 0.074 8.836 7.668 1.00 0.95 H new ATOM 0 HD21 LEU A 70 -1.882 10.260 5.756 1.00 0.90 H new ATOM 0 HD22 LEU A 70 -0.112 10.295 5.575 1.00 0.90 H new ATOM 0 HD23 LEU A 70 -1.134 9.734 4.230 1.00 0.90 H new ATOM 1127 N ILE A 71 2.427 7.484 2.607 1.00 0.14 N ATOM 1128 CA ILE A 71 3.758 6.962 2.406 1.00 0.17 C ATOM 1129 C ILE A 71 4.610 7.444 3.551 1.00 0.20 C ATOM 1130 O ILE A 71 4.859 8.647 3.673 1.00 0.24 O ATOM 1131 CB ILE A 71 4.417 7.402 1.089 1.00 0.20 C ATOM 1132 CG1 ILE A 71 3.512 7.088 -0.116 1.00 0.18 C ATOM 1133 CG2 ILE A 71 5.777 6.706 0.960 1.00 0.28 C ATOM 1134 CD1 ILE A 71 3.349 5.618 -0.409 1.00 0.20 C ATOM 0 H ILE A 71 2.252 8.398 2.189 1.00 0.14 H new ATOM 0 HA ILE A 71 3.677 5.876 2.358 1.00 0.17 H new ATOM 0 HB ILE A 71 4.565 8.482 1.101 1.00 0.20 H new ATOM 0 HG12 ILE A 71 2.528 7.521 0.062 1.00 0.18 H new ATOM 0 HG13 ILE A 71 3.921 7.578 -0.999 1.00 0.18 H new ATOM 0 HG21 ILE A 71 6.255 7.010 0.029 1.00 0.28 H new ATOM 0 HG22 ILE A 71 6.411 6.987 1.801 1.00 0.28 H new ATOM 0 HG23 ILE A 71 5.634 5.625 0.958 1.00 0.28 H new ATOM 0 HD11 ILE A 71 2.696 5.489 -1.273 1.00 0.20 H new ATOM 0 HD12 ILE A 71 4.324 5.179 -0.622 1.00 0.20 H new ATOM 0 HD13 ILE A 71 2.909 5.121 0.456 1.00 0.20 H new ATOM 1146 N ASN A 72 4.983 6.514 4.415 1.00 0.22 N ATOM 1147 CA ASN A 72 5.784 6.800 5.600 1.00 0.28 C ATOM 1148 C ASN A 72 4.908 7.424 6.666 1.00 0.27 C ATOM 1149 O ASN A 72 4.827 6.909 7.777 1.00 0.31 O ATOM 1150 CB ASN A 72 6.965 7.716 5.271 1.00 0.41 C ATOM 1151 CG ASN A 72 8.167 7.450 6.141 1.00 1.04 C ATOM 1152 OD1 ASN A 72 8.298 7.992 7.237 1.00 1.94 O ATOM 1153 ND2 ASN A 72 9.054 6.622 5.637 1.00 1.33 N ATOM 0 H ASN A 72 4.737 5.529 4.315 1.00 0.22 H new ATOM 0 HA ASN A 72 6.194 5.861 5.973 1.00 0.28 H new ATOM 0 HB2 ASN A 72 7.242 7.583 4.225 1.00 0.41 H new ATOM 0 HB3 ASN A 72 6.658 8.755 5.390 1.00 0.41 H new ATOM 0 HD21 ASN A 72 9.901 6.402 6.161 1.00 1.33 H new ATOM 0 HD22 ASN A 72 8.895 6.200 4.722 1.00 1.33 H new ATOM 1160 N ASP A 73 4.257 8.521 6.298 1.00 0.26 N ATOM 1161 CA ASP A 73 3.272 9.195 7.146 1.00 0.29 C ATOM 1162 C ASP A 73 2.740 10.442 6.431 1.00 0.28 C ATOM 1163 O ASP A 73 2.222 11.365 7.059 1.00 0.36 O ATOM 1164 CB ASP A 73 3.902 9.581 8.493 1.00 0.36 C ATOM 1165 CG ASP A 73 2.887 10.048 9.519 1.00 0.62 C ATOM 1166 OD1 ASP A 73 2.002 9.249 9.899 1.00 1.03 O ATOM 1167 OD2 ASP A 73 2.979 11.214 9.960 1.00 0.65 O ATOM 0 H ASP A 73 4.397 8.975 5.395 1.00 0.26 H new ATOM 0 HA ASP A 73 2.443 8.514 7.336 1.00 0.29 H new ATOM 0 HB2 ASP A 73 4.443 8.723 8.892 1.00 0.36 H new ATOM 0 HB3 ASP A 73 4.634 10.372 8.330 1.00 0.36 H new ATOM 1172 N ALA A 74 2.839 10.454 5.103 1.00 0.27 N ATOM 1173 CA ALA A 74 2.482 11.641 4.326 1.00 0.29 C ATOM 1174 C ALA A 74 1.672 11.284 3.077 1.00 0.25 C ATOM 1175 O ALA A 74 1.506 10.111 2.751 1.00 0.20 O ATOM 1176 CB ALA A 74 3.736 12.405 3.940 1.00 0.33 C ATOM 0 H ALA A 74 3.161 9.663 4.546 1.00 0.27 H new ATOM 0 HA ALA A 74 1.852 12.271 4.954 1.00 0.29 H new ATOM 0 HB1 ALA A 74 3.461 13.287 3.362 1.00 0.33 H new ATOM 0 HB2 ALA A 74 4.267 12.713 4.841 1.00 0.33 H new ATOM 0 HB3 ALA A 74 4.382 11.764 3.340 1.00 0.33 H new ATOM 1182 N ASP A 75 1.190 12.315 2.377 1.00 0.30 N ATOM 1183 CA ASP A 75 0.351 12.136 1.188 1.00 0.29 C ATOM 1184 C ASP A 75 1.140 11.502 0.054 1.00 0.23 C ATOM 1185 O ASP A 75 2.050 12.110 -0.507 1.00 0.24 O ATOM 1186 CB ASP A 75 -0.230 13.474 0.716 1.00 0.36 C ATOM 1187 CG ASP A 75 -1.157 14.101 1.734 1.00 0.47 C ATOM 1188 OD1 ASP A 75 -2.357 13.750 1.747 1.00 0.61 O ATOM 1189 OD2 ASP A 75 -0.694 14.950 2.522 1.00 0.62 O ATOM 0 H ASP A 75 1.368 13.290 2.616 1.00 0.30 H new ATOM 0 HA ASP A 75 -0.467 11.472 1.467 1.00 0.29 H new ATOM 0 HB2 ASP A 75 0.586 14.164 0.501 1.00 0.36 H new ATOM 0 HB3 ASP A 75 -0.772 13.321 -0.217 1.00 0.36 H new ATOM 1194 N TRP A 76 0.766 10.278 -0.269 1.00 0.21 N ATOM 1195 CA TRP A 76 1.393 9.494 -1.325 1.00 0.17 C ATOM 1196 C TRP A 76 1.585 10.279 -2.628 1.00 0.16 C ATOM 1197 O TRP A 76 2.686 10.305 -3.178 1.00 0.14 O ATOM 1198 CB TRP A 76 0.543 8.243 -1.595 1.00 0.20 C ATOM 1199 CG TRP A 76 -0.767 8.521 -2.301 1.00 0.22 C ATOM 1200 CD1 TRP A 76 -1.130 8.055 -3.530 1.00 0.28 C ATOM 1201 CD2 TRP A 76 -1.865 9.347 -1.852 1.00 0.25 C ATOM 1202 NE1 TRP A 76 -2.360 8.542 -3.880 1.00 0.33 N ATOM 1203 CE2 TRP A 76 -2.841 9.325 -2.869 1.00 0.30 C ATOM 1204 CE3 TRP A 76 -2.124 10.098 -0.700 1.00 0.27 C ATOM 1205 CZ2 TRP A 76 -4.042 10.021 -2.767 1.00 0.34 C ATOM 1206 CZ3 TRP A 76 -3.315 10.787 -0.600 1.00 0.32 C ATOM 1207 CH2 TRP A 76 -4.262 10.744 -1.628 1.00 0.34 C ATOM 0 H TRP A 76 0.005 9.789 0.202 1.00 0.21 H new ATOM 0 HA TRP A 76 2.389 9.220 -0.976 1.00 0.17 H new ATOM 0 HB2 TRP A 76 1.125 7.545 -2.196 1.00 0.20 H new ATOM 0 HB3 TRP A 76 0.333 7.749 -0.646 1.00 0.20 H new ATOM 0 HD1 TRP A 76 -0.532 7.395 -4.141 1.00 0.28 H new ATOM 0 HE1 TRP A 76 -2.842 8.350 -4.758 1.00 0.33 H new ATOM 0 HE3 TRP A 76 -1.401 10.138 0.101 1.00 0.27 H new ATOM 0 HZ2 TRP A 76 -4.774 9.991 -3.560 1.00 0.34 H new ATOM 0 HZ3 TRP A 76 -3.519 11.369 0.287 1.00 0.32 H new ATOM 0 HH2 TRP A 76 -5.186 11.293 -1.520 1.00 0.34 H new ATOM 1218 N GLU A 77 0.525 10.930 -3.103 1.00 0.19 N ATOM 1219 CA GLU A 77 0.516 11.532 -4.432 1.00 0.21 C ATOM 1220 C GLU A 77 1.533 12.660 -4.552 1.00 0.21 C ATOM 1221 O GLU A 77 2.059 12.924 -5.632 1.00 0.27 O ATOM 1222 CB GLU A 77 -0.882 12.055 -4.772 1.00 0.28 C ATOM 1223 CG GLU A 77 -1.498 12.932 -3.692 1.00 0.49 C ATOM 1224 CD GLU A 77 -2.779 13.602 -4.152 1.00 0.52 C ATOM 1225 OE1 GLU A 77 -3.686 12.893 -4.643 1.00 0.74 O ATOM 1226 OE2 GLU A 77 -2.877 14.841 -4.045 1.00 0.82 O ATOM 0 H GLU A 77 -0.343 11.054 -2.582 1.00 0.19 H new ATOM 0 HA GLU A 77 0.795 10.753 -5.142 1.00 0.21 H new ATOM 0 HB2 GLU A 77 -0.829 12.624 -5.700 1.00 0.28 H new ATOM 0 HB3 GLU A 77 -1.541 11.206 -4.955 1.00 0.28 H new ATOM 0 HG2 GLU A 77 -1.705 12.326 -2.810 1.00 0.49 H new ATOM 0 HG3 GLU A 77 -0.779 13.695 -3.393 1.00 0.49 H new ATOM 1233 N LEU A 78 1.813 13.315 -3.437 1.00 0.24 N ATOM 1234 CA LEU A 78 2.734 14.440 -3.426 1.00 0.29 C ATOM 1235 C LEU A 78 4.159 13.956 -3.215 1.00 0.25 C ATOM 1236 O LEU A 78 5.116 14.720 -3.335 1.00 0.35 O ATOM 1237 CB LEU A 78 2.351 15.426 -2.318 1.00 0.47 C ATOM 1238 CG LEU A 78 0.922 15.970 -2.397 1.00 0.55 C ATOM 1239 CD1 LEU A 78 0.642 16.914 -1.236 1.00 1.12 C ATOM 1240 CD2 LEU A 78 0.692 16.670 -3.728 1.00 1.00 C ATOM 0 H LEU A 78 1.415 13.086 -2.526 1.00 0.24 H new ATOM 0 HA LEU A 78 2.673 14.946 -4.390 1.00 0.29 H new ATOM 0 HB2 LEU A 78 2.483 14.934 -1.354 1.00 0.47 H new ATOM 0 HB3 LEU A 78 3.045 16.266 -2.345 1.00 0.47 H new ATOM 0 HG LEU A 78 0.230 15.131 -2.327 1.00 0.55 H new ATOM 0 HD11 LEU A 78 -0.379 17.290 -1.310 1.00 1.12 H new ATOM 0 HD12 LEU A 78 0.764 16.379 -0.294 1.00 1.12 H new ATOM 0 HD13 LEU A 78 1.340 17.751 -1.271 1.00 1.12 H new ATOM 0 HD21 LEU A 78 -0.329 17.051 -3.767 1.00 1.00 H new ATOM 0 HD22 LEU A 78 1.393 17.499 -3.829 1.00 1.00 H new ATOM 0 HD23 LEU A 78 0.847 15.963 -4.543 1.00 1.00 H new ATOM 1252 N LEU A 79 4.288 12.677 -2.902 1.00 0.20 N ATOM 1253 CA LEU A 79 5.581 12.107 -2.572 1.00 0.20 C ATOM 1254 C LEU A 79 6.119 11.206 -3.690 1.00 0.20 C ATOM 1255 O LEU A 79 7.329 11.113 -3.887 1.00 0.22 O ATOM 1256 CB LEU A 79 5.465 11.308 -1.270 1.00 0.22 C ATOM 1257 CG LEU A 79 5.807 12.070 0.018 1.00 0.38 C ATOM 1258 CD1 LEU A 79 4.859 13.236 0.240 1.00 0.79 C ATOM 1259 CD2 LEU A 79 5.775 11.125 1.211 1.00 0.75 C ATOM 0 H LEU A 79 3.513 12.015 -2.870 1.00 0.20 H new ATOM 0 HA LEU A 79 6.287 12.928 -2.450 1.00 0.20 H new ATOM 0 HB2 LEU A 79 4.445 10.932 -1.187 1.00 0.22 H new ATOM 0 HB3 LEU A 79 6.120 10.440 -1.340 1.00 0.22 H new ATOM 0 HG LEU A 79 6.813 12.475 -0.087 1.00 0.38 H new ATOM 0 HD11 LEU A 79 5.129 13.754 1.160 1.00 0.79 H new ATOM 0 HD12 LEU A 79 4.930 13.927 -0.600 1.00 0.79 H new ATOM 0 HD13 LEU A 79 3.837 12.864 0.319 1.00 0.79 H new ATOM 0 HD21 LEU A 79 6.019 11.677 2.119 1.00 0.75 H new ATOM 0 HD22 LEU A 79 4.779 10.693 1.306 1.00 0.75 H new ATOM 0 HD23 LEU A 79 6.504 10.328 1.064 1.00 0.75 H new ATOM 1271 N GLY A 80 5.227 10.568 -4.436 1.00 0.20 N ATOM 1272 CA GLY A 80 5.662 9.660 -5.488 1.00 0.22 C ATOM 1273 C GLY A 80 4.758 8.447 -5.609 1.00 0.19 C ATOM 1274 O GLY A 80 4.751 7.774 -6.639 1.00 0.22 O ATOM 0 H GLY A 80 4.216 10.659 -4.336 1.00 0.20 H new ATOM 0 HA2 GLY A 80 5.682 10.192 -6.439 1.00 0.22 H new ATOM 0 HA3 GLY A 80 6.681 9.332 -5.284 1.00 0.22 H new ATOM 1278 N GLU A 81 4.005 8.185 -4.533 1.00 0.17 N ATOM 1279 CA GLU A 81 2.979 7.135 -4.477 1.00 0.20 C ATOM 1280 C GLU A 81 3.398 5.823 -5.156 1.00 0.16 C ATOM 1281 O GLU A 81 4.400 5.221 -4.775 1.00 0.17 O ATOM 1282 CB GLU A 81 1.640 7.649 -5.030 1.00 0.33 C ATOM 1283 CG GLU A 81 1.742 8.424 -6.331 1.00 0.48 C ATOM 1284 CD GLU A 81 0.390 8.723 -6.943 1.00 0.38 C ATOM 1285 OE1 GLU A 81 -0.389 7.772 -7.166 1.00 0.58 O ATOM 1286 OE2 GLU A 81 0.101 9.907 -7.201 1.00 0.41 O ATOM 0 H GLU A 81 4.093 8.706 -3.661 1.00 0.17 H new ATOM 0 HA GLU A 81 2.853 6.891 -3.422 1.00 0.20 H new ATOM 0 HB2 GLU A 81 0.976 6.798 -5.182 1.00 0.33 H new ATOM 0 HB3 GLU A 81 1.174 8.287 -4.279 1.00 0.33 H new ATOM 0 HG2 GLU A 81 2.269 9.361 -6.150 1.00 0.48 H new ATOM 0 HG3 GLU A 81 2.340 7.854 -7.042 1.00 0.48 H new ATOM 1293 N LEU A 82 2.612 5.402 -6.148 1.00 0.16 N ATOM 1294 CA LEU A 82 2.764 4.114 -6.829 1.00 0.18 C ATOM 1295 C LEU A 82 4.228 3.737 -7.094 1.00 0.16 C ATOM 1296 O LEU A 82 4.679 2.658 -6.704 1.00 0.20 O ATOM 1297 CB LEU A 82 1.986 4.111 -8.156 1.00 0.24 C ATOM 1298 CG LEU A 82 2.544 4.978 -9.294 1.00 0.28 C ATOM 1299 CD1 LEU A 82 1.809 4.683 -10.590 1.00 1.06 C ATOM 1300 CD2 LEU A 82 2.435 6.453 -8.952 1.00 1.19 C ATOM 0 H LEU A 82 1.836 5.958 -6.508 1.00 0.16 H new ATOM 0 HA LEU A 82 2.355 3.364 -6.152 1.00 0.18 H new ATOM 0 HB2 LEU A 82 1.927 3.082 -8.512 1.00 0.24 H new ATOM 0 HB3 LEU A 82 0.966 4.436 -7.951 1.00 0.24 H new ATOM 0 HG LEU A 82 3.598 4.734 -9.424 1.00 0.28 H new ATOM 0 HD11 LEU A 82 2.215 5.305 -11.388 1.00 1.06 H new ATOM 0 HD12 LEU A 82 1.936 3.632 -10.849 1.00 1.06 H new ATOM 0 HD13 LEU A 82 0.748 4.901 -10.464 1.00 1.06 H new ATOM 0 HD21 LEU A 82 2.836 7.047 -9.773 1.00 1.19 H new ATOM 0 HD22 LEU A 82 1.389 6.713 -8.793 1.00 1.19 H new ATOM 0 HD23 LEU A 82 3.002 6.659 -8.044 1.00 1.19 H new ATOM 1312 N ASP A 83 4.973 4.633 -7.723 1.00 0.20 N ATOM 1313 CA ASP A 83 6.321 4.318 -8.171 1.00 0.24 C ATOM 1314 C ASP A 83 7.342 4.789 -7.149 1.00 0.26 C ATOM 1315 O ASP A 83 8.081 5.745 -7.378 1.00 0.56 O ATOM 1316 CB ASP A 83 6.582 4.956 -9.535 1.00 0.34 C ATOM 1317 CG ASP A 83 7.872 4.480 -10.171 1.00 1.21 C ATOM 1318 OD1 ASP A 83 7.912 3.327 -10.651 1.00 1.72 O ATOM 1319 OD2 ASP A 83 8.836 5.270 -10.235 1.00 2.00 O ATOM 0 H ASP A 83 4.668 5.583 -7.935 1.00 0.20 H new ATOM 0 HA ASP A 83 6.417 3.237 -8.272 1.00 0.24 H new ATOM 0 HB2 ASP A 83 5.749 4.730 -10.201 1.00 0.34 H new ATOM 0 HB3 ASP A 83 6.616 6.040 -9.423 1.00 0.34 H new ATOM 1324 N TYR A 84 7.333 4.136 -5.999 1.00 0.21 N ATOM 1325 CA TYR A 84 8.224 4.467 -4.914 1.00 0.19 C ATOM 1326 C TYR A 84 9.278 3.392 -4.720 1.00 0.21 C ATOM 1327 O TYR A 84 8.950 2.231 -4.508 1.00 0.33 O ATOM 1328 CB TYR A 84 7.425 4.629 -3.624 1.00 0.19 C ATOM 1329 CG TYR A 84 7.545 6.001 -3.029 1.00 0.19 C ATOM 1330 CD1 TYR A 84 8.788 6.527 -2.739 1.00 0.24 C ATOM 1331 CD2 TYR A 84 6.424 6.769 -2.766 1.00 0.19 C ATOM 1332 CE1 TYR A 84 8.919 7.784 -2.197 1.00 0.28 C ATOM 1333 CE2 TYR A 84 6.541 8.030 -2.222 1.00 0.21 C ATOM 1334 CZ TYR A 84 7.800 8.533 -1.938 1.00 0.25 C ATOM 1335 OH TYR A 84 7.945 9.779 -1.384 1.00 0.30 O ATOM 0 H TYR A 84 6.703 3.360 -5.797 1.00 0.21 H new ATOM 0 HA TYR A 84 8.726 5.402 -5.162 1.00 0.19 H new ATOM 0 HB2 TYR A 84 6.375 4.416 -3.824 1.00 0.19 H new ATOM 0 HB3 TYR A 84 7.766 3.892 -2.897 1.00 0.19 H new ATOM 0 HD1 TYR A 84 9.673 5.941 -2.941 1.00 0.24 H new ATOM 0 HD2 TYR A 84 5.444 6.375 -2.990 1.00 0.19 H new ATOM 0 HE1 TYR A 84 9.899 8.180 -1.976 1.00 0.28 H new ATOM 0 HE2 TYR A 84 5.660 8.620 -2.019 1.00 0.21 H new ATOM 0 HH TYR A 84 8.800 10.165 -1.667 1.00 0.30 H new ATOM 1345 N GLN A 85 10.539 3.790 -4.753 1.00 0.27 N ATOM 1346 CA GLN A 85 11.644 2.885 -4.434 1.00 0.28 C ATOM 1347 C GLN A 85 11.752 2.672 -2.920 1.00 0.24 C ATOM 1348 O GLN A 85 12.799 2.276 -2.409 1.00 0.28 O ATOM 1349 CB GLN A 85 12.983 3.396 -5.011 1.00 0.40 C ATOM 1350 CG GLN A 85 13.196 4.914 -4.993 1.00 0.70 C ATOM 1351 CD GLN A 85 12.759 5.581 -3.702 1.00 0.77 C ATOM 1352 OE1 GLN A 85 13.502 5.626 -2.726 1.00 1.74 O ATOM 1353 NE2 GLN A 85 11.574 6.172 -3.727 1.00 0.74 N ATOM 0 H GLN A 85 10.829 4.737 -4.998 1.00 0.27 H new ATOM 0 HA GLN A 85 11.428 1.925 -4.904 1.00 0.28 H new ATOM 0 HB2 GLN A 85 13.796 2.930 -4.454 1.00 0.40 H new ATOM 0 HB3 GLN A 85 13.065 3.051 -6.042 1.00 0.40 H new ATOM 0 HG2 GLN A 85 14.252 5.125 -5.160 1.00 0.70 H new ATOM 0 HG3 GLN A 85 12.647 5.358 -5.824 1.00 0.70 H new ATOM 0 HE21 GLN A 85 10.990 6.108 -4.561 1.00 0.74 H new ATOM 0 HE22 GLN A 85 11.246 6.691 -2.913 1.00 0.74 H new ATOM 1362 N LEU A 86 10.624 2.889 -2.240 1.00 0.22 N ATOM 1363 CA LEU A 86 10.500 2.770 -0.778 1.00 0.24 C ATOM 1364 C LEU A 86 11.444 3.682 0.006 1.00 0.30 C ATOM 1365 O LEU A 86 12.536 4.034 -0.438 1.00 0.34 O ATOM 1366 CB LEU A 86 10.702 1.318 -0.324 1.00 0.25 C ATOM 1367 CG LEU A 86 9.611 0.340 -0.740 1.00 0.29 C ATOM 1368 CD1 LEU A 86 8.242 0.894 -0.381 1.00 0.75 C ATOM 1369 CD2 LEU A 86 9.719 0.025 -2.219 1.00 0.86 C ATOM 0 H LEU A 86 9.752 3.158 -2.695 1.00 0.22 H new ATOM 0 HA LEU A 86 9.485 3.097 -0.553 1.00 0.24 H new ATOM 0 HB2 LEU A 86 11.654 0.962 -0.719 1.00 0.25 H new ATOM 0 HB3 LEU A 86 10.782 1.304 0.763 1.00 0.25 H new ATOM 0 HG LEU A 86 9.743 -0.594 -0.195 1.00 0.29 H new ATOM 0 HD11 LEU A 86 7.472 0.185 -0.684 1.00 0.75 H new ATOM 0 HD12 LEU A 86 8.185 1.054 0.696 1.00 0.75 H new ATOM 0 HD13 LEU A 86 8.086 1.841 -0.897 1.00 0.75 H new ATOM 0 HD21 LEU A 86 8.932 -0.675 -2.500 1.00 0.86 H new ATOM 0 HD22 LEU A 86 9.610 0.944 -2.796 1.00 0.86 H new ATOM 0 HD23 LEU A 86 10.692 -0.420 -2.426 1.00 0.86 H new ATOM 1381 N GLN A 87 10.990 4.079 1.185 1.00 0.39 N ATOM 1382 CA GLN A 87 11.832 4.775 2.139 1.00 0.51 C ATOM 1383 C GLN A 87 11.906 3.935 3.405 1.00 0.76 C ATOM 1384 O GLN A 87 11.000 3.151 3.685 1.00 1.74 O ATOM 1385 CB GLN A 87 11.286 6.174 2.457 1.00 0.46 C ATOM 1386 CG GLN A 87 10.961 6.996 1.222 1.00 0.86 C ATOM 1387 CD GLN A 87 9.469 7.122 0.988 1.00 0.65 C ATOM 1388 OE1 GLN A 87 8.836 8.085 1.422 1.00 1.18 O ATOM 1389 NE2 GLN A 87 8.899 6.141 0.311 1.00 0.48 N ATOM 0 H GLN A 87 10.033 3.928 1.504 1.00 0.39 H new ATOM 0 HA GLN A 87 12.826 4.910 1.712 1.00 0.51 H new ATOM 0 HB2 GLN A 87 10.386 6.074 3.064 1.00 0.46 H new ATOM 0 HB3 GLN A 87 12.018 6.712 3.059 1.00 0.46 H new ATOM 0 HG2 GLN A 87 11.395 7.990 1.326 1.00 0.86 H new ATOM 0 HG3 GLN A 87 11.425 6.536 0.350 1.00 0.86 H new ATOM 0 HE21 GLN A 87 9.462 5.362 -0.030 1.00 0.48 H new ATOM 0 HE22 GLN A 87 7.896 6.163 0.129 1.00 0.48 H new ATOM 1398 N ASP A 88 12.982 4.075 4.159 1.00 0.43 N ATOM 1399 CA ASP A 88 13.183 3.256 5.344 1.00 0.40 C ATOM 1400 C ASP A 88 12.082 3.504 6.365 1.00 0.32 C ATOM 1401 O ASP A 88 11.712 4.649 6.633 1.00 0.36 O ATOM 1402 CB ASP A 88 14.559 3.521 5.967 1.00 0.56 C ATOM 1403 CG ASP A 88 14.748 4.961 6.404 1.00 1.40 C ATOM 1404 OD1 ASP A 88 14.949 5.830 5.535 1.00 2.44 O ATOM 1405 OD2 ASP A 88 14.675 5.230 7.622 1.00 1.53 O ATOM 0 H ASP A 88 13.728 4.745 3.974 1.00 0.43 H new ATOM 0 HA ASP A 88 13.142 2.210 5.039 1.00 0.40 H new ATOM 0 HB2 ASP A 88 14.694 2.866 6.828 1.00 0.56 H new ATOM 0 HB3 ASP A 88 15.334 3.262 5.245 1.00 0.56 H new ATOM 1410 N GLN A 89 11.554 2.410 6.914 1.00 0.31 N ATOM 1411 CA GLN A 89 10.481 2.457 7.890 1.00 0.34 C ATOM 1412 C GLN A 89 9.234 3.150 7.340 1.00 0.34 C ATOM 1413 O GLN A 89 8.455 3.733 8.096 1.00 0.42 O ATOM 1414 CB GLN A 89 10.971 3.122 9.174 1.00 0.40 C ATOM 1415 CG GLN A 89 11.848 2.213 10.024 1.00 0.62 C ATOM 1416 CD GLN A 89 13.172 1.840 9.379 1.00 0.77 C ATOM 1417 OE1 GLN A 89 14.155 2.571 9.468 1.00 1.56 O ATOM 1418 NE2 GLN A 89 13.216 0.666 8.768 1.00 0.71 N ATOM 0 H GLN A 89 11.865 1.465 6.689 1.00 0.31 H new ATOM 0 HA GLN A 89 10.188 1.432 8.119 1.00 0.34 H new ATOM 0 HB2 GLN A 89 11.531 4.021 8.919 1.00 0.40 H new ATOM 0 HB3 GLN A 89 10.110 3.439 9.762 1.00 0.40 H new ATOM 0 HG2 GLN A 89 12.047 2.706 10.976 1.00 0.62 H new ATOM 0 HG3 GLN A 89 11.296 1.300 10.247 1.00 0.62 H new ATOM 0 HE21 GLN A 89 12.378 0.087 8.715 1.00 0.71 H new ATOM 0 HE22 GLN A 89 14.088 0.341 8.351 1.00 0.71 H new ATOM 1427 N ASP A 90 9.035 3.043 6.025 1.00 0.30 N ATOM 1428 CA ASP A 90 7.833 3.564 5.378 1.00 0.34 C ATOM 1429 C ASP A 90 6.591 2.971 6.006 1.00 0.32 C ATOM 1430 O ASP A 90 6.374 1.760 5.928 1.00 0.45 O ATOM 1431 CB ASP A 90 7.802 3.211 3.888 1.00 0.45 C ATOM 1432 CG ASP A 90 8.175 4.340 2.974 1.00 0.75 C ATOM 1433 OD1 ASP A 90 8.183 5.502 3.421 1.00 1.17 O ATOM 1434 OD2 ASP A 90 8.448 4.054 1.793 1.00 1.06 O ATOM 0 H ASP A 90 9.694 2.598 5.387 1.00 0.30 H new ATOM 0 HA ASP A 90 7.854 4.646 5.505 1.00 0.34 H new ATOM 0 HB2 ASP A 90 8.481 2.377 3.711 1.00 0.45 H new ATOM 0 HB3 ASP A 90 6.801 2.867 3.630 1.00 0.45 H new ATOM 1439 N SER A 91 5.782 3.797 6.640 1.00 0.23 N ATOM 1440 CA SER A 91 4.511 3.359 7.096 1.00 0.21 C ATOM 1441 C SER A 91 3.487 3.621 6.010 1.00 0.17 C ATOM 1442 O SER A 91 2.970 4.727 5.871 1.00 0.17 O ATOM 1443 CB SER A 91 4.169 4.104 8.361 1.00 0.25 C ATOM 1444 OG SER A 91 5.103 3.821 9.391 1.00 1.14 O ATOM 0 H SER A 91 5.998 4.773 6.843 1.00 0.23 H new ATOM 0 HA SER A 91 4.519 2.291 7.313 1.00 0.21 H new ATOM 0 HB2 SER A 91 4.156 5.176 8.163 1.00 0.25 H new ATOM 0 HB3 SER A 91 3.167 3.828 8.689 1.00 0.25 H new ATOM 0 HG SER A 91 4.859 4.318 10.200 1.00 1.14 H new ATOM 1450 N ILE A 92 3.235 2.598 5.225 1.00 0.17 N ATOM 1451 CA ILE A 92 2.316 2.694 4.113 1.00 0.15 C ATOM 1452 C ILE A 92 0.932 2.318 4.602 1.00 0.14 C ATOM 1453 O ILE A 92 0.660 1.154 4.906 1.00 0.17 O ATOM 1454 CB ILE A 92 2.738 1.776 2.942 1.00 0.17 C ATOM 1455 CG1 ILE A 92 4.251 1.883 2.685 1.00 0.19 C ATOM 1456 CG2 ILE A 92 1.955 2.128 1.682 1.00 0.19 C ATOM 1457 CD1 ILE A 92 4.744 3.293 2.420 1.00 0.21 C ATOM 0 H ILE A 92 3.660 1.678 5.339 1.00 0.17 H new ATOM 0 HA ILE A 92 2.322 3.717 3.736 1.00 0.15 H new ATOM 0 HB ILE A 92 2.511 0.745 3.214 1.00 0.17 H new ATOM 0 HG12 ILE A 92 4.783 1.481 3.547 1.00 0.19 H new ATOM 0 HG13 ILE A 92 4.507 1.255 1.832 1.00 0.19 H new ATOM 0 HG21 ILE A 92 2.263 1.473 0.867 1.00 0.19 H new ATOM 0 HG22 ILE A 92 0.889 1.998 1.868 1.00 0.19 H new ATOM 0 HG23 ILE A 92 2.152 3.165 1.409 1.00 0.19 H new ATOM 0 HD11 ILE A 92 5.820 3.276 2.249 1.00 0.21 H new ATOM 0 HD12 ILE A 92 4.243 3.694 1.539 1.00 0.21 H new ATOM 0 HD13 ILE A 92 4.523 3.924 3.281 1.00 0.21 H new ATOM 1469 N LEU A 93 0.066 3.304 4.696 1.00 0.13 N ATOM 1470 CA LEU A 93 -1.210 3.119 5.360 1.00 0.14 C ATOM 1471 C LEU A 93 -2.347 3.395 4.400 1.00 0.14 C ATOM 1472 O LEU A 93 -2.489 4.511 3.915 1.00 0.19 O ATOM 1473 CB LEU A 93 -1.320 4.053 6.566 1.00 0.18 C ATOM 1474 CG LEU A 93 -2.088 3.481 7.761 1.00 0.32 C ATOM 1475 CD1 LEU A 93 -2.489 4.583 8.721 1.00 0.63 C ATOM 1476 CD2 LEU A 93 -3.308 2.718 7.295 1.00 0.56 C ATOM 0 H LEU A 93 0.220 4.241 4.323 1.00 0.13 H new ATOM 0 HA LEU A 93 -1.274 2.086 5.701 1.00 0.14 H new ATOM 0 HB2 LEU A 93 -0.315 4.319 6.893 1.00 0.18 H new ATOM 0 HB3 LEU A 93 -1.806 4.975 6.249 1.00 0.18 H new ATOM 0 HG LEU A 93 -1.429 2.791 8.288 1.00 0.32 H new ATOM 0 HD11 LEU A 93 -3.033 4.153 9.562 1.00 0.63 H new ATOM 0 HD12 LEU A 93 -1.596 5.089 9.088 1.00 0.63 H new ATOM 0 HD13 LEU A 93 -3.127 5.301 8.205 1.00 0.63 H new ATOM 0 HD21 LEU A 93 -3.840 2.320 8.159 1.00 0.56 H new ATOM 0 HD22 LEU A 93 -3.966 3.387 6.741 1.00 0.56 H new ATOM 0 HD23 LEU A 93 -2.999 1.896 6.649 1.00 0.56 H new ATOM 1488 N PHE A 94 -3.163 2.386 4.144 1.00 0.13 N ATOM 1489 CA PHE A 94 -4.307 2.558 3.269 1.00 0.14 C ATOM 1490 C PHE A 94 -5.495 3.091 4.060 1.00 0.13 C ATOM 1491 O PHE A 94 -6.050 2.404 4.922 1.00 0.15 O ATOM 1492 CB PHE A 94 -4.666 1.228 2.591 1.00 0.18 C ATOM 1493 CG PHE A 94 -3.637 0.752 1.601 1.00 0.21 C ATOM 1494 CD1 PHE A 94 -2.362 0.395 2.013 1.00 0.27 C ATOM 1495 CD2 PHE A 94 -3.945 0.672 0.253 1.00 0.26 C ATOM 1496 CE1 PHE A 94 -1.418 -0.032 1.101 1.00 0.32 C ATOM 1497 CE2 PHE A 94 -3.003 0.247 -0.664 1.00 0.31 C ATOM 1498 CZ PHE A 94 -1.739 -0.106 -0.240 1.00 0.33 C ATOM 0 H PHE A 94 -3.055 1.447 4.527 1.00 0.13 H new ATOM 0 HA PHE A 94 -4.051 3.281 2.494 1.00 0.14 H new ATOM 0 HB2 PHE A 94 -4.799 0.465 3.358 1.00 0.18 H new ATOM 0 HB3 PHE A 94 -5.623 1.338 2.081 1.00 0.18 H new ATOM 0 HD1 PHE A 94 -2.104 0.452 3.060 1.00 0.27 H new ATOM 0 HD2 PHE A 94 -4.934 0.945 -0.085 1.00 0.26 H new ATOM 0 HE1 PHE A 94 -0.429 -0.308 1.436 1.00 0.32 H new ATOM 0 HE2 PHE A 94 -3.256 0.191 -1.712 1.00 0.31 H new ATOM 0 HZ PHE A 94 -1.002 -0.440 -0.955 1.00 0.33 H new ATOM 1508 N ILE A 95 -5.893 4.309 3.741 1.00 0.13 N ATOM 1509 CA ILE A 95 -6.996 4.962 4.422 1.00 0.17 C ATOM 1510 C ILE A 95 -8.178 5.111 3.487 1.00 0.18 C ATOM 1511 O ILE A 95 -8.175 5.962 2.601 1.00 0.20 O ATOM 1512 CB ILE A 95 -6.593 6.364 4.942 1.00 0.26 C ATOM 1513 CG1 ILE A 95 -5.454 6.249 5.953 1.00 0.27 C ATOM 1514 CG2 ILE A 95 -7.785 7.085 5.564 1.00 0.35 C ATOM 1515 CD1 ILE A 95 -5.806 5.383 7.135 1.00 1.16 C ATOM 0 H ILE A 95 -5.463 4.871 3.006 1.00 0.13 H new ATOM 0 HA ILE A 95 -7.267 4.335 5.272 1.00 0.17 H new ATOM 0 HB ILE A 95 -6.250 6.953 4.091 1.00 0.26 H new ATOM 0 HG12 ILE A 95 -4.574 5.838 5.457 1.00 0.27 H new ATOM 0 HG13 ILE A 95 -5.185 7.245 6.305 1.00 0.27 H new ATOM 0 HG21 ILE A 95 -7.471 8.066 5.920 1.00 0.35 H new ATOM 0 HG22 ILE A 95 -8.569 7.204 4.816 1.00 0.35 H new ATOM 0 HG23 ILE A 95 -8.167 6.501 6.401 1.00 0.35 H new ATOM 0 HD11 ILE A 95 -4.958 5.339 7.819 1.00 1.16 H new ATOM 0 HD12 ILE A 95 -6.668 5.806 7.652 1.00 1.16 H new ATOM 0 HD13 ILE A 95 -6.047 4.377 6.790 1.00 1.16 H new ATOM 1527 N SER A 96 -9.183 4.276 3.665 1.00 0.20 N ATOM 1528 CA SER A 96 -10.393 4.426 2.896 1.00 0.24 C ATOM 1529 C SER A 96 -11.181 5.594 3.461 1.00 0.28 C ATOM 1530 O SER A 96 -11.630 5.553 4.606 1.00 0.35 O ATOM 1531 CB SER A 96 -11.216 3.135 2.928 1.00 0.31 C ATOM 1532 OG SER A 96 -12.356 3.226 2.091 1.00 0.37 O ATOM 0 H SER A 96 -9.183 3.499 4.326 1.00 0.20 H new ATOM 0 HA SER A 96 -10.149 4.626 1.853 1.00 0.24 H new ATOM 0 HB2 SER A 96 -10.595 2.298 2.609 1.00 0.31 H new ATOM 0 HB3 SER A 96 -11.530 2.927 3.951 1.00 0.31 H new ATOM 0 HG SER A 96 -12.860 2.386 2.132 1.00 0.37 H new ATOM 1538 N THR A 97 -11.327 6.643 2.668 1.00 0.27 N ATOM 1539 CA THR A 97 -12.027 7.827 3.119 1.00 0.36 C ATOM 1540 C THR A 97 -13.500 7.735 2.726 1.00 0.48 C ATOM 1541 O THR A 97 -14.281 8.674 2.911 1.00 0.58 O ATOM 1542 CB THR A 97 -11.384 9.121 2.560 1.00 0.34 C ATOM 1543 OG1 THR A 97 -11.849 10.263 3.292 1.00 0.43 O ATOM 1544 CG2 THR A 97 -11.696 9.311 1.082 1.00 0.35 C ATOM 0 H THR A 97 -10.971 6.696 1.714 1.00 0.27 H new ATOM 0 HA THR A 97 -11.950 7.877 4.205 1.00 0.36 H new ATOM 0 HB THR A 97 -10.304 9.023 2.674 1.00 0.34 H new ATOM 0 HG1 THR A 97 -12.828 10.248 3.335 1.00 0.43 H new ATOM 0 HG21 THR A 97 -11.228 10.229 0.726 1.00 0.35 H new ATOM 0 HG22 THR A 97 -11.309 8.464 0.516 1.00 0.35 H new ATOM 0 HG23 THR A 97 -12.775 9.377 0.943 1.00 0.35 H new ATOM 1552 N LEU A 98 -13.864 6.578 2.182 1.00 0.53 N ATOM 1553 CA LEU A 98 -15.239 6.288 1.822 1.00 0.70 C ATOM 1554 C LEU A 98 -16.045 5.982 3.078 1.00 0.79 C ATOM 1555 O LEU A 98 -15.477 5.621 4.112 1.00 1.27 O ATOM 1556 CB LEU A 98 -15.297 5.104 0.850 1.00 0.98 C ATOM 1557 CG LEU A 98 -14.565 5.318 -0.478 1.00 0.82 C ATOM 1558 CD1 LEU A 98 -14.625 4.059 -1.328 1.00 0.94 C ATOM 1559 CD2 LEU A 98 -15.162 6.497 -1.233 1.00 1.09 C ATOM 0 H LEU A 98 -13.212 5.820 1.980 1.00 0.53 H new ATOM 0 HA LEU A 98 -15.668 7.159 1.328 1.00 0.70 H new ATOM 0 HB2 LEU A 98 -14.875 4.228 1.343 1.00 0.98 H new ATOM 0 HB3 LEU A 98 -16.342 4.878 0.639 1.00 0.98 H new ATOM 0 HG LEU A 98 -13.520 5.540 -0.262 1.00 0.82 H new ATOM 0 HD11 LEU A 98 -14.100 4.229 -2.268 1.00 0.94 H new ATOM 0 HD12 LEU A 98 -14.153 3.236 -0.792 1.00 0.94 H new ATOM 0 HD13 LEU A 98 -15.666 3.808 -1.534 1.00 0.94 H new ATOM 0 HD21 LEU A 98 -14.629 6.634 -2.174 1.00 1.09 H new ATOM 0 HD22 LEU A 98 -16.215 6.303 -1.437 1.00 1.09 H new ATOM 0 HD23 LEU A 98 -15.070 7.400 -0.629 1.00 1.09 H new ATOM 1571 N HIS A 99 -17.360 6.127 2.973 1.00 1.41 N ATOM 1572 CA HIS A 99 -18.267 5.939 4.104 1.00 1.74 C ATOM 1573 C HIS A 99 -18.024 7.004 5.169 1.00 2.61 C ATOM 1574 O HIS A 99 -17.421 6.739 6.209 1.00 3.47 O ATOM 1575 CB HIS A 99 -18.140 4.539 4.726 1.00 2.60 C ATOM 1576 CG HIS A 99 -18.536 3.415 3.816 1.00 3.33 C ATOM 1577 ND1 HIS A 99 -18.238 2.095 4.082 1.00 4.18 N ATOM 1578 CD2 HIS A 99 -19.213 3.415 2.644 1.00 3.94 C ATOM 1579 CE1 HIS A 99 -18.710 1.335 3.113 1.00 5.03 C ATOM 1580 NE2 HIS A 99 -19.306 2.110 2.228 1.00 4.93 N ATOM 0 H HIS A 99 -17.830 6.378 2.103 1.00 1.41 H new ATOM 0 HA HIS A 99 -19.281 6.038 3.717 1.00 1.74 H new ATOM 0 HB2 HIS A 99 -17.108 4.388 5.041 1.00 2.60 H new ATOM 0 HB3 HIS A 99 -18.757 4.497 5.624 1.00 2.60 H new ATOM 0 HD2 HIS A 99 -19.607 4.280 2.132 1.00 3.94 H new ATOM 0 HE1 HIS A 99 -18.623 0.260 3.054 1.00 5.03 H new ATOM 0 HE2 HIS A 99 -19.762 1.792 1.373 1.00 4.93 H new ATOM 1589 N GLY A 100 -18.464 8.217 4.882 1.00 3.03 N ATOM 1590 CA GLY A 100 -18.355 9.295 5.844 1.00 4.27 C ATOM 1591 C GLY A 100 -19.715 9.687 6.368 1.00 4.88 C ATOM 1592 O GLY A 100 -19.842 10.284 7.436 1.00 5.56 O ATOM 0 H GLY A 100 -18.897 8.477 3.996 1.00 3.03 H new ATOM 0 HA2 GLY A 100 -17.717 8.986 6.672 1.00 4.27 H new ATOM 0 HA3 GLY A 100 -17.878 10.157 5.378 1.00 4.27 H new ATOM 1596 N GLY A 101 -20.735 9.340 5.600 1.00 5.05 N ATOM 1597 CA GLY A 101 -22.103 9.589 5.992 1.00 6.01 C ATOM 1598 C GLY A 101 -23.061 8.904 5.048 1.00 6.44 C ATOM 1599 O GLY A 101 -24.218 9.349 4.927 1.00 6.66 O ATOM 1600 OXT GLY A 101 -22.643 7.925 4.391 1.00 6.91 O ATOM 0 H GLY A 101 -20.634 8.881 4.695 1.00 5.05 H new ATOM 0 HA2 GLY A 101 -22.267 9.230 7.008 1.00 6.01 H new ATOM 0 HA3 GLY A 101 -22.295 10.662 5.998 1.00 6.01 H new TER 1604 GLY A 101