USER MOD reduce.3.24.130724 H: found=0, std=0, add=822, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 822 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 30 SER OG : rot -133:sc= 0.073 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= 0.0141 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -39:sc= 0.998 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.172 USER MOD Single : A 15 SER OG : rot 28:sc= 0.23 USER MOD Single : A 22 LYS NZ :NH3+ 162:sc= -0.0974 (180deg=-0.408) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 8:sc= 0.763 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot -10:sc= 0.81 USER MOD Single : A 34 MET CE :methyl 164:sc= -0.0889 (180deg=-0.455) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot -24:sc= 1.04 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= -0.168 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 130:sc= -0.613 USER MOD Single : A 66 ASN : amide:sc= 0 K(o=0,f=-0.79) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.259 X(o=-0.26,f=-0.024) USER MOD Single : A 78 GLN : amide:sc= -0.0782 K(o=-0.078,f=-0.91) USER MOD Single : A 80 MET CE :methyl -126:sc= -1.77 (180deg=-3.53) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -0.483 K(o=-0.48,f=-1.2) USER MOD Single : A 94 ASN :FLIP amide:sc= -0.71 F(o=-1.7!,f=-0.71) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.069 -3.538 19.989 1.00 7.92 N ATOM 2 CA GLY A 1 -10.816 -4.426 19.054 1.00 7.68 C ATOM 3 C GLY A 1 -10.735 -3.952 17.615 1.00 6.86 C ATOM 4 O GLY A 1 -11.626 -3.253 17.135 1.00 7.03 O ATOM 0 H1 GLY A 1 -10.155 -3.904 20.959 1.00 7.92 H new ATOM 0 H2 GLY A 1 -9.066 -3.512 19.716 1.00 7.92 H new ATOM 0 H3 GLY A 1 -10.464 -2.577 19.946 1.00 7.92 H new ATOM 0 HA2 GLY A 1 -10.418 -5.438 19.123 1.00 7.68 H new ATOM 0 HA3 GLY A 1 -11.861 -4.473 19.360 1.00 7.68 H new ATOM 10 N SER A 2 -9.663 -4.335 16.927 1.00 6.24 N ATOM 11 CA SER A 2 -9.467 -3.947 15.535 1.00 5.73 C ATOM 12 C SER A 2 -8.851 -5.088 14.731 1.00 4.62 C ATOM 13 O SER A 2 -8.533 -6.144 15.280 1.00 4.63 O ATOM 14 CB SER A 2 -8.570 -2.712 15.446 1.00 6.38 C ATOM 15 OG SER A 2 -9.152 -1.605 16.115 1.00 7.18 O ATOM 0 H SER A 2 -8.917 -4.914 17.312 1.00 6.24 H new ATOM 0 HA SER A 2 -10.444 -3.712 15.113 1.00 5.73 H new ATOM 0 HB2 SER A 2 -7.597 -2.934 15.884 1.00 6.38 H new ATOM 0 HB3 SER A 2 -8.399 -2.459 14.400 1.00 6.38 H new ATOM 0 HG SER A 2 -8.557 -0.830 16.044 1.00 7.18 H new ATOM 21 N HIS A 3 -8.685 -4.862 13.430 1.00 4.05 N ATOM 22 CA HIS A 3 -8.102 -5.863 12.537 1.00 3.23 C ATOM 23 C HIS A 3 -8.864 -7.183 12.612 1.00 2.51 C ATOM 24 O HIS A 3 -8.586 -8.026 13.466 1.00 2.56 O ATOM 25 CB HIS A 3 -6.627 -6.087 12.878 1.00 3.35 C ATOM 26 CG HIS A 3 -5.769 -4.883 12.642 1.00 4.25 C ATOM 27 ND1 HIS A 3 -5.240 -4.122 13.663 1.00 4.88 N ATOM 28 CD2 HIS A 3 -5.345 -4.310 11.490 1.00 5.02 C ATOM 29 CE1 HIS A 3 -4.529 -3.132 13.150 1.00 5.81 C ATOM 30 NE2 HIS A 3 -4.576 -3.226 11.835 1.00 5.91 N ATOM 0 H HIS A 3 -8.947 -3.991 12.968 1.00 4.05 H new ATOM 0 HA HIS A 3 -8.178 -5.485 11.517 1.00 3.23 H new ATOM 0 HB2 HIS A 3 -6.545 -6.382 13.924 1.00 3.35 H new ATOM 0 HB3 HIS A 3 -6.247 -6.917 12.282 1.00 3.35 H new ATOM 0 HD2 HIS A 3 -5.570 -4.643 10.488 1.00 5.02 H new ATOM 0 HE1 HIS A 3 -4.000 -2.376 13.712 1.00 5.81 H new ATOM 0 HE2 HIS A 3 -4.115 -2.595 11.180 1.00 5.91 H new ATOM 39 N GLY A 4 -9.821 -7.359 11.705 1.00 2.45 N ATOM 40 CA GLY A 4 -10.608 -8.577 11.686 1.00 2.34 C ATOM 41 C GLY A 4 -11.625 -8.595 10.560 1.00 2.00 C ATOM 42 O GLY A 4 -12.757 -9.041 10.746 1.00 2.37 O ATOM 0 H GLY A 4 -10.064 -6.680 10.984 1.00 2.45 H new ATOM 0 HA2 GLY A 4 -9.942 -9.434 11.584 1.00 2.34 H new ATOM 0 HA3 GLY A 4 -11.125 -8.687 12.639 1.00 2.34 H new ATOM 46 N TYR A 5 -11.220 -8.108 9.391 1.00 1.70 N ATOM 47 CA TYR A 5 -12.105 -8.071 8.231 1.00 1.43 C ATOM 48 C TYR A 5 -11.823 -9.239 7.289 1.00 1.39 C ATOM 49 O TYR A 5 -11.549 -9.043 6.105 1.00 1.60 O ATOM 50 CB TYR A 5 -11.943 -6.745 7.484 1.00 1.42 C ATOM 51 CG TYR A 5 -12.290 -5.533 8.318 1.00 1.57 C ATOM 52 CD1 TYR A 5 -13.607 -5.114 8.454 1.00 1.63 C ATOM 53 CD2 TYR A 5 -11.299 -4.808 8.969 1.00 1.84 C ATOM 54 CE1 TYR A 5 -13.928 -4.006 9.215 1.00 1.86 C ATOM 55 CE2 TYR A 5 -11.612 -3.700 9.733 1.00 2.07 C ATOM 56 CZ TYR A 5 -12.926 -3.301 9.852 1.00 2.04 C ATOM 57 OH TYR A 5 -13.242 -2.200 10.613 1.00 2.33 O ATOM 0 H TYR A 5 -10.286 -7.734 9.222 1.00 1.70 H new ATOM 0 HA TYR A 5 -13.132 -8.158 8.586 1.00 1.43 H new ATOM 0 HB2 TYR A 5 -10.913 -6.655 7.139 1.00 1.42 H new ATOM 0 HB3 TYR A 5 -12.576 -6.758 6.597 1.00 1.42 H new ATOM 0 HD1 TYR A 5 -14.393 -5.663 7.957 1.00 1.63 H new ATOM 0 HD2 TYR A 5 -10.268 -5.116 8.876 1.00 1.84 H new ATOM 0 HE1 TYR A 5 -14.957 -3.693 9.311 1.00 1.86 H new ATOM 0 HE2 TYR A 5 -10.830 -3.149 10.235 1.00 2.07 H new ATOM 0 HH TYR A 5 -12.423 -1.819 10.993 1.00 2.33 H new ATOM 67 N SER A 6 -11.892 -10.455 7.823 1.00 1.46 N ATOM 68 CA SER A 6 -11.645 -11.653 7.030 1.00 1.51 C ATOM 69 C SER A 6 -12.760 -11.869 6.011 1.00 1.40 C ATOM 70 O SER A 6 -13.796 -12.457 6.328 1.00 1.78 O ATOM 71 CB SER A 6 -11.525 -12.877 7.941 1.00 1.86 C ATOM 72 OG SER A 6 -11.304 -14.056 7.188 1.00 2.59 O ATOM 0 H SER A 6 -12.117 -10.636 8.801 1.00 1.46 H new ATOM 0 HA SER A 6 -10.707 -11.517 6.492 1.00 1.51 H new ATOM 0 HB2 SER A 6 -10.704 -12.732 8.643 1.00 1.86 H new ATOM 0 HB3 SER A 6 -12.435 -12.985 8.532 1.00 1.86 H new ATOM 0 HG SER A 6 -11.230 -14.822 7.794 1.00 2.59 H new ATOM 78 N ASP A 7 -12.540 -11.390 4.789 1.00 1.22 N ATOM 79 CA ASP A 7 -13.526 -11.525 3.719 1.00 1.25 C ATOM 80 C ASP A 7 -14.862 -10.914 4.131 1.00 1.28 C ATOM 81 O ASP A 7 -15.748 -11.611 4.627 1.00 1.58 O ATOM 82 CB ASP A 7 -13.715 -12.998 3.345 1.00 1.48 C ATOM 83 CG ASP A 7 -14.701 -13.184 2.208 1.00 1.96 C ATOM 84 OD1 ASP A 7 -14.267 -13.159 1.037 1.00 2.10 O ATOM 85 OD2 ASP A 7 -15.906 -13.354 2.488 1.00 2.67 O ATOM 0 H ASP A 7 -11.686 -10.904 4.515 1.00 1.22 H new ATOM 0 HA ASP A 7 -13.153 -10.986 2.848 1.00 1.25 H new ATOM 0 HB2 ASP A 7 -12.753 -13.424 3.061 1.00 1.48 H new ATOM 0 HB3 ASP A 7 -14.063 -13.550 4.218 1.00 1.48 H new ATOM 90 N ALA A 8 -15.002 -9.607 3.925 1.00 1.14 N ATOM 91 CA ALA A 8 -16.229 -8.906 4.278 1.00 1.29 C ATOM 92 C ALA A 8 -16.705 -8.012 3.136 1.00 1.46 C ATOM 93 O ALA A 8 -16.187 -6.911 2.938 1.00 1.58 O ATOM 94 CB ALA A 8 -16.021 -8.084 5.542 1.00 1.28 C ATOM 0 H ALA A 8 -14.280 -9.014 3.516 1.00 1.14 H new ATOM 0 HA ALA A 8 -17.002 -9.652 4.463 1.00 1.29 H new ATOM 0 HB1 ALA A 8 -16.946 -7.565 5.795 1.00 1.28 H new ATOM 0 HB2 ALA A 8 -15.739 -8.744 6.363 1.00 1.28 H new ATOM 0 HB3 ALA A 8 -15.229 -7.354 5.375 1.00 1.28 H new ATOM 100 N SER A 9 -17.691 -8.499 2.387 1.00 1.63 N ATOM 101 CA SER A 9 -18.252 -7.752 1.265 1.00 1.85 C ATOM 102 C SER A 9 -17.181 -7.408 0.233 1.00 1.76 C ATOM 103 O SER A 9 -17.353 -6.492 -0.571 1.00 1.89 O ATOM 104 CB SER A 9 -18.929 -6.472 1.765 1.00 2.01 C ATOM 105 OG SER A 9 -19.553 -5.774 0.703 1.00 2.55 O ATOM 0 H SER A 9 -18.120 -9.412 2.538 1.00 1.63 H new ATOM 0 HA SER A 9 -18.995 -8.386 0.782 1.00 1.85 H new ATOM 0 HB2 SER A 9 -19.670 -6.722 2.524 1.00 2.01 H new ATOM 0 HB3 SER A 9 -18.189 -5.829 2.241 1.00 2.01 H new ATOM 0 HG SER A 9 -18.984 -5.815 -0.094 1.00 2.55 H new ATOM 111 N GLY A 10 -16.076 -8.148 0.258 1.00 1.58 N ATOM 112 CA GLY A 10 -15.000 -7.902 -0.686 1.00 1.55 C ATOM 113 C GLY A 10 -13.793 -7.249 -0.041 1.00 1.38 C ATOM 114 O GLY A 10 -12.662 -7.450 -0.483 1.00 1.82 O ATOM 0 H GLY A 10 -15.907 -8.911 0.913 1.00 1.58 H new ATOM 0 HA2 GLY A 10 -14.698 -8.846 -1.140 1.00 1.55 H new ATOM 0 HA3 GLY A 10 -15.367 -7.264 -1.490 1.00 1.55 H new ATOM 118 N PHE A 11 -14.029 -6.465 1.004 1.00 1.08 N ATOM 119 CA PHE A 11 -12.945 -5.786 1.704 1.00 0.90 C ATOM 120 C PHE A 11 -12.204 -6.745 2.629 1.00 0.71 C ATOM 121 O PHE A 11 -12.628 -6.986 3.760 1.00 0.83 O ATOM 122 CB PHE A 11 -13.482 -4.599 2.508 1.00 1.02 C ATOM 123 CG PHE A 11 -13.829 -3.406 1.664 1.00 1.18 C ATOM 124 CD1 PHE A 11 -12.839 -2.530 1.245 1.00 1.05 C ATOM 125 CD2 PHE A 11 -15.140 -3.159 1.292 1.00 1.52 C ATOM 126 CE1 PHE A 11 -13.152 -1.430 0.471 1.00 1.24 C ATOM 127 CE2 PHE A 11 -15.459 -2.059 0.517 1.00 1.70 C ATOM 128 CZ PHE A 11 -14.463 -1.193 0.106 1.00 1.55 C ATOM 0 H PHE A 11 -14.958 -6.284 1.385 1.00 1.08 H new ATOM 0 HA PHE A 11 -12.245 -5.418 0.954 1.00 0.90 H new ATOM 0 HB2 PHE A 11 -14.369 -4.915 3.057 1.00 1.02 H new ATOM 0 HB3 PHE A 11 -12.737 -4.306 3.248 1.00 1.02 H new ATOM 0 HD1 PHE A 11 -11.812 -2.710 1.527 1.00 1.05 H new ATOM 0 HD2 PHE A 11 -15.922 -3.833 1.611 1.00 1.52 H new ATOM 0 HE1 PHE A 11 -12.372 -0.755 0.151 1.00 1.24 H new ATOM 0 HE2 PHE A 11 -16.485 -1.877 0.233 1.00 1.70 H new ATOM 0 HZ PHE A 11 -14.709 -0.333 -0.499 1.00 1.55 H new ATOM 138 N SER A 12 -11.096 -7.288 2.137 1.00 0.55 N ATOM 139 CA SER A 12 -10.286 -8.216 2.915 1.00 0.45 C ATOM 140 C SER A 12 -8.896 -7.636 3.163 1.00 0.39 C ATOM 141 O SER A 12 -8.351 -6.922 2.319 1.00 0.38 O ATOM 142 CB SER A 12 -10.176 -9.560 2.190 1.00 0.51 C ATOM 143 OG SER A 12 -9.347 -10.459 2.906 1.00 0.90 O ATOM 0 H SER A 12 -10.738 -7.100 1.200 1.00 0.55 H new ATOM 0 HA SER A 12 -10.772 -8.374 3.878 1.00 0.45 H new ATOM 0 HB2 SER A 12 -11.169 -9.994 2.069 1.00 0.51 H new ATOM 0 HB3 SER A 12 -9.771 -9.405 1.190 1.00 0.51 H new ATOM 0 HG SER A 12 -9.294 -11.310 2.423 1.00 0.90 H new ATOM 149 N LEU A 13 -8.331 -7.943 4.328 1.00 0.41 N ATOM 150 CA LEU A 13 -7.006 -7.450 4.689 1.00 0.40 C ATOM 151 C LEU A 13 -5.913 -8.350 4.121 1.00 0.45 C ATOM 152 O LEU A 13 -5.879 -9.550 4.391 1.00 0.68 O ATOM 153 CB LEU A 13 -6.871 -7.358 6.211 1.00 0.56 C ATOM 154 CG LEU A 13 -7.898 -6.458 6.902 1.00 0.63 C ATOM 155 CD1 LEU A 13 -7.795 -6.597 8.414 1.00 0.89 C ATOM 156 CD2 LEU A 13 -7.697 -5.010 6.484 1.00 0.79 C ATOM 0 H LEU A 13 -8.770 -8.530 5.037 1.00 0.41 H new ATOM 0 HA LEU A 13 -6.887 -6.455 4.260 1.00 0.40 H new ATOM 0 HB2 LEU A 13 -6.952 -8.362 6.628 1.00 0.56 H new ATOM 0 HB3 LEU A 13 -5.872 -6.993 6.450 1.00 0.56 H new ATOM 0 HG LEU A 13 -8.896 -6.771 6.596 1.00 0.63 H new ATOM 0 HD11 LEU A 13 -8.532 -5.950 8.890 1.00 0.89 H new ATOM 0 HD12 LEU A 13 -7.983 -7.632 8.698 1.00 0.89 H new ATOM 0 HD13 LEU A 13 -6.795 -6.308 8.739 1.00 0.89 H new ATOM 0 HD21 LEU A 13 -8.434 -4.381 6.983 1.00 0.79 H new ATOM 0 HD22 LEU A 13 -6.695 -4.686 6.764 1.00 0.79 H new ATOM 0 HD23 LEU A 13 -7.818 -4.923 5.404 1.00 0.79 H new ATOM 168 N TYR A 14 -5.020 -7.758 3.333 1.00 0.36 N ATOM 169 CA TYR A 14 -3.924 -8.501 2.721 1.00 0.50 C ATOM 170 C TYR A 14 -2.572 -7.998 3.224 1.00 0.31 C ATOM 171 O TYR A 14 -2.417 -6.822 3.552 1.00 0.37 O ATOM 172 CB TYR A 14 -3.996 -8.385 1.197 1.00 0.80 C ATOM 173 CG TYR A 14 -5.179 -9.109 0.590 1.00 0.68 C ATOM 174 CD1 TYR A 14 -6.409 -8.477 0.437 1.00 0.71 C ATOM 175 CD2 TYR A 14 -5.064 -10.428 0.169 1.00 1.20 C ATOM 176 CE1 TYR A 14 -7.488 -9.141 -0.117 1.00 1.34 C ATOM 177 CE2 TYR A 14 -6.139 -11.098 -0.386 1.00 1.90 C ATOM 178 CZ TYR A 14 -7.347 -10.450 -0.527 1.00 1.98 C ATOM 179 OH TYR A 14 -8.420 -11.113 -1.077 1.00 2.73 O ATOM 0 H TYR A 14 -5.034 -6.764 3.103 1.00 0.36 H new ATOM 0 HA TYR A 14 -4.023 -9.549 3.004 1.00 0.50 H new ATOM 0 HB2 TYR A 14 -4.046 -7.331 0.923 1.00 0.80 H new ATOM 0 HB3 TYR A 14 -3.077 -8.783 0.767 1.00 0.80 H new ATOM 0 HD1 TYR A 14 -6.523 -7.451 0.756 1.00 0.71 H new ATOM 0 HD2 TYR A 14 -4.119 -10.939 0.277 1.00 1.20 H new ATOM 0 HE1 TYR A 14 -8.437 -8.637 -0.228 1.00 1.34 H new ATOM 0 HE2 TYR A 14 -6.032 -12.124 -0.707 1.00 1.90 H new ATOM 0 HH TYR A 14 -8.154 -12.026 -1.314 1.00 2.73 H new ATOM 189 N SER A 15 -1.595 -8.900 3.284 1.00 0.43 N ATOM 190 CA SER A 15 -0.259 -8.547 3.751 1.00 0.38 C ATOM 191 C SER A 15 0.805 -9.404 3.072 1.00 0.33 C ATOM 192 O SER A 15 0.699 -10.630 3.035 1.00 0.41 O ATOM 193 CB SER A 15 -0.167 -8.713 5.270 1.00 0.59 C ATOM 194 OG SER A 15 -0.418 -10.054 5.654 1.00 1.19 O ATOM 0 H SER A 15 -1.704 -9.878 3.016 1.00 0.43 H new ATOM 0 HA SER A 15 -0.078 -7.504 3.491 1.00 0.38 H new ATOM 0 HB2 SER A 15 0.823 -8.413 5.612 1.00 0.59 H new ATOM 0 HB3 SER A 15 -0.885 -8.052 5.755 1.00 0.59 H new ATOM 0 HG SER A 15 -0.170 -10.656 4.922 1.00 1.19 H new ATOM 200 N VAL A 16 1.832 -8.749 2.539 1.00 0.32 N ATOM 201 CA VAL A 16 2.920 -9.447 1.862 1.00 0.33 C ATOM 202 C VAL A 16 4.265 -9.058 2.467 1.00 0.31 C ATOM 203 O VAL A 16 4.415 -7.967 3.016 1.00 0.44 O ATOM 204 CB VAL A 16 2.929 -9.142 0.350 1.00 0.44 C ATOM 205 CG1 VAL A 16 3.918 -10.042 -0.377 1.00 0.53 C ATOM 206 CG2 VAL A 16 1.531 -9.295 -0.231 1.00 0.56 C ATOM 0 H VAL A 16 1.934 -7.734 2.563 1.00 0.32 H new ATOM 0 HA VAL A 16 2.757 -10.516 1.999 1.00 0.33 H new ATOM 0 HB VAL A 16 3.248 -8.109 0.210 1.00 0.44 H new ATOM 0 HG11 VAL A 16 3.907 -9.809 -1.442 1.00 0.53 H new ATOM 0 HG12 VAL A 16 4.920 -9.878 0.020 1.00 0.53 H new ATOM 0 HG13 VAL A 16 3.636 -11.085 -0.231 1.00 0.53 H new ATOM 0 HG21 VAL A 16 1.555 -9.076 -1.299 1.00 0.56 H new ATOM 0 HG22 VAL A 16 1.183 -10.316 -0.078 1.00 0.56 H new ATOM 0 HG23 VAL A 16 0.852 -8.602 0.266 1.00 0.56 H new ATOM 216 N GLU A 17 5.242 -9.956 2.367 1.00 0.33 N ATOM 217 CA GLU A 17 6.570 -9.702 2.918 1.00 0.34 C ATOM 218 C GLU A 17 7.561 -9.292 1.834 1.00 0.32 C ATOM 219 O GLU A 17 7.840 -10.057 0.910 1.00 0.38 O ATOM 220 CB GLU A 17 7.084 -10.943 3.649 1.00 0.45 C ATOM 221 CG GLU A 17 6.214 -11.357 4.822 1.00 0.71 C ATOM 222 CD GLU A 17 6.774 -12.551 5.567 1.00 1.18 C ATOM 223 OE1 GLU A 17 6.439 -13.695 5.196 1.00 1.42 O ATOM 224 OE2 GLU A 17 7.553 -12.343 6.523 1.00 1.74 O ATOM 0 H GLU A 17 5.140 -10.863 1.911 1.00 0.33 H new ATOM 0 HA GLU A 17 6.482 -8.875 3.622 1.00 0.34 H new ATOM 0 HB2 GLU A 17 7.147 -11.771 2.943 1.00 0.45 H new ATOM 0 HB3 GLU A 17 8.096 -10.752 4.007 1.00 0.45 H new ATOM 0 HG2 GLU A 17 6.114 -10.518 5.510 1.00 0.71 H new ATOM 0 HG3 GLU A 17 5.213 -11.594 4.462 1.00 0.71 H new ATOM 231 N LEU A 18 8.085 -8.078 1.957 1.00 0.31 N ATOM 232 CA LEU A 18 9.057 -7.555 1.004 1.00 0.34 C ATOM 233 C LEU A 18 10.410 -7.357 1.680 1.00 0.38 C ATOM 234 O LEU A 18 10.509 -7.389 2.906 1.00 0.68 O ATOM 235 CB LEU A 18 8.565 -6.233 0.408 1.00 0.40 C ATOM 236 CG LEU A 18 7.667 -6.364 -0.828 1.00 0.46 C ATOM 237 CD1 LEU A 18 8.445 -6.952 -1.995 1.00 0.81 C ATOM 238 CD2 LEU A 18 6.444 -7.217 -0.518 1.00 0.71 C ATOM 0 H LEU A 18 7.851 -7.434 2.712 1.00 0.31 H new ATOM 0 HA LEU A 18 9.172 -8.279 0.197 1.00 0.34 H new ATOM 0 HB2 LEU A 18 8.018 -5.688 1.178 1.00 0.40 H new ATOM 0 HB3 LEU A 18 9.432 -5.628 0.144 1.00 0.40 H new ATOM 0 HG LEU A 18 7.327 -5.367 -1.108 1.00 0.46 H new ATOM 0 HD11 LEU A 18 7.791 -7.037 -2.863 1.00 0.81 H new ATOM 0 HD12 LEU A 18 9.285 -6.301 -2.237 1.00 0.81 H new ATOM 0 HD13 LEU A 18 8.817 -7.940 -1.723 1.00 0.81 H new ATOM 0 HD21 LEU A 18 5.821 -7.297 -1.409 1.00 0.71 H new ATOM 0 HD22 LEU A 18 6.763 -8.212 -0.208 1.00 0.71 H new ATOM 0 HD23 LEU A 18 5.871 -6.753 0.285 1.00 0.71 H new ATOM 250 N PHE A 19 11.452 -7.157 0.880 1.00 0.41 N ATOM 251 CA PHE A 19 12.793 -6.961 1.419 1.00 0.43 C ATOM 252 C PHE A 19 13.683 -6.214 0.432 1.00 0.49 C ATOM 253 O PHE A 19 13.668 -6.496 -0.766 1.00 0.59 O ATOM 254 CB PHE A 19 13.422 -8.313 1.773 1.00 0.48 C ATOM 255 CG PHE A 19 13.534 -9.252 0.604 1.00 0.82 C ATOM 256 CD1 PHE A 19 12.454 -10.029 0.219 1.00 0.74 C ATOM 257 CD2 PHE A 19 14.718 -9.355 -0.110 1.00 1.50 C ATOM 258 CE1 PHE A 19 12.552 -10.893 -0.855 1.00 1.25 C ATOM 259 CE2 PHE A 19 14.822 -10.218 -1.185 1.00 2.08 C ATOM 260 CZ PHE A 19 13.744 -10.988 -1.558 1.00 1.94 C ATOM 0 H PHE A 19 11.395 -7.126 -0.138 1.00 0.41 H new ATOM 0 HA PHE A 19 12.707 -6.356 2.322 1.00 0.43 H new ATOM 0 HB2 PHE A 19 14.415 -8.144 2.188 1.00 0.48 H new ATOM 0 HB3 PHE A 19 12.827 -8.788 2.553 1.00 0.48 H new ATOM 0 HD1 PHE A 19 11.525 -9.959 0.764 1.00 0.74 H new ATOM 0 HD2 PHE A 19 15.569 -8.754 0.177 1.00 1.50 H new ATOM 0 HE1 PHE A 19 11.702 -11.493 -1.146 1.00 1.25 H new ATOM 0 HE2 PHE A 19 15.750 -10.288 -1.733 1.00 2.08 H new ATOM 0 HZ PHE A 19 13.826 -11.664 -2.396 1.00 1.94 H new ATOM 270 N ARG A 20 14.457 -5.257 0.942 1.00 0.52 N ATOM 271 CA ARG A 20 15.358 -4.481 0.094 1.00 0.66 C ATOM 272 C ARG A 20 16.768 -4.447 0.677 1.00 0.68 C ATOM 273 O ARG A 20 16.954 -4.574 1.887 1.00 0.83 O ATOM 274 CB ARG A 20 14.831 -3.056 -0.089 1.00 0.73 C ATOM 275 CG ARG A 20 15.664 -2.222 -1.052 1.00 0.99 C ATOM 276 CD ARG A 20 14.944 -0.948 -1.464 1.00 1.19 C ATOM 277 NE ARG A 20 14.633 -0.096 -0.321 1.00 1.60 N ATOM 278 CZ ARG A 20 14.600 1.232 -0.380 1.00 2.26 C ATOM 279 NH1 ARG A 20 14.865 1.857 -1.519 1.00 2.52 N ATOM 280 NH2 ARG A 20 14.302 1.938 0.703 1.00 3.06 N ATOM 0 H ARG A 20 14.478 -5.003 1.930 1.00 0.52 H new ATOM 0 HA ARG A 20 15.401 -4.969 -0.880 1.00 0.66 H new ATOM 0 HB2 ARG A 20 13.804 -3.100 -0.453 1.00 0.73 H new ATOM 0 HB3 ARG A 20 14.804 -2.559 0.881 1.00 0.73 H new ATOM 0 HG2 ARG A 20 16.615 -1.967 -0.583 1.00 0.99 H new ATOM 0 HG3 ARG A 20 15.894 -2.812 -1.939 1.00 0.99 H new ATOM 0 HD2 ARG A 20 15.564 -0.395 -2.170 1.00 1.19 H new ATOM 0 HD3 ARG A 20 14.022 -1.206 -1.984 1.00 1.19 H new ATOM 0 HE ARG A 20 14.430 -0.544 0.573 1.00 1.60 H new ATOM 0 HH11 ARG A 20 15.095 1.319 -2.354 1.00 2.52 H new ATOM 0 HH12 ARG A 20 14.839 2.876 -1.560 1.00 2.52 H new ATOM 0 HH21 ARG A 20 14.098 1.462 1.582 1.00 3.06 H new ATOM 0 HH22 ARG A 20 14.277 2.957 0.657 1.00 3.06 H new ATOM 294 N GLU A 21 17.758 -4.281 -0.197 1.00 0.82 N ATOM 295 CA GLU A 21 19.155 -4.229 0.227 1.00 0.93 C ATOM 296 C GLU A 21 20.006 -3.467 -0.783 1.00 1.16 C ATOM 297 O GLU A 21 20.957 -2.777 -0.414 1.00 1.57 O ATOM 298 CB GLU A 21 19.706 -5.643 0.420 1.00 1.09 C ATOM 299 CG GLU A 21 21.148 -5.677 0.903 1.00 1.62 C ATOM 300 CD GLU A 21 21.646 -7.087 1.154 1.00 2.00 C ATOM 301 OE1 GLU A 21 22.161 -7.713 0.204 1.00 2.21 O ATOM 302 OE2 GLU A 21 21.522 -7.566 2.301 1.00 2.58 O ATOM 0 H GLU A 21 17.619 -4.180 -1.202 1.00 0.82 H new ATOM 0 HA GLU A 21 19.199 -3.699 1.179 1.00 0.93 H new ATOM 0 HB2 GLU A 21 19.079 -6.173 1.137 1.00 1.09 H new ATOM 0 HB3 GLU A 21 19.636 -6.183 -0.524 1.00 1.09 H new ATOM 0 HG2 GLU A 21 21.787 -5.197 0.162 1.00 1.62 H new ATOM 0 HG3 GLU A 21 21.233 -5.097 1.822 1.00 1.62 H new ATOM 309 N LYS A 22 19.658 -3.599 -2.057 1.00 1.11 N ATOM 310 CA LYS A 22 20.384 -2.923 -3.128 1.00 1.40 C ATOM 311 C LYS A 22 20.345 -1.409 -2.942 1.00 1.31 C ATOM 312 O LYS A 22 19.536 -0.889 -2.174 1.00 1.38 O ATOM 313 CB LYS A 22 19.788 -3.293 -4.490 1.00 1.65 C ATOM 314 CG LYS A 22 19.910 -4.769 -4.834 1.00 2.00 C ATOM 315 CD LYS A 22 21.362 -5.199 -4.959 1.00 2.54 C ATOM 316 CE LYS A 22 21.478 -6.640 -5.429 1.00 3.05 C ATOM 317 NZ LYS A 22 20.864 -6.836 -6.772 1.00 3.72 N ATOM 0 H LYS A 22 18.875 -4.170 -2.376 1.00 1.11 H new ATOM 0 HA LYS A 22 21.423 -3.251 -3.090 1.00 1.40 H new ATOM 0 HB2 LYS A 22 18.735 -3.013 -4.503 1.00 1.65 H new ATOM 0 HB3 LYS A 22 20.284 -2.707 -5.264 1.00 1.65 H new ATOM 0 HG2 LYS A 22 19.419 -5.364 -4.064 1.00 2.00 H new ATOM 0 HG3 LYS A 22 19.389 -4.969 -5.771 1.00 2.00 H new ATOM 0 HD2 LYS A 22 21.877 -4.544 -5.661 1.00 2.54 H new ATOM 0 HD3 LYS A 22 21.860 -5.088 -3.996 1.00 2.54 H new ATOM 0 HE2 LYS A 22 22.529 -6.927 -5.465 1.00 3.05 H new ATOM 0 HE3 LYS A 22 20.992 -7.298 -4.708 1.00 3.05 H new ATOM 0 HZ1 LYS A 22 21.217 -7.721 -7.189 1.00 3.72 H new ATOM 0 HZ2 LYS A 22 19.830 -6.887 -6.677 1.00 3.72 H new ATOM 0 HZ3 LYS A 22 21.116 -6.037 -7.389 1.00 3.72 H new ATOM 331 N ASP A 23 21.226 -0.708 -3.650 1.00 1.46 N ATOM 332 CA ASP A 23 21.293 0.747 -3.563 1.00 1.51 C ATOM 333 C ASP A 23 20.454 1.399 -4.657 1.00 1.31 C ATOM 334 O ASP A 23 20.806 2.461 -5.173 1.00 1.58 O ATOM 335 CB ASP A 23 22.744 1.221 -3.669 1.00 1.91 C ATOM 336 CG ASP A 23 23.621 0.658 -2.569 1.00 2.29 C ATOM 337 OD1 ASP A 23 23.701 1.288 -1.493 1.00 2.87 O ATOM 338 OD2 ASP A 23 24.229 -0.411 -2.782 1.00 2.58 O ATOM 0 H ASP A 23 21.903 -1.124 -4.290 1.00 1.46 H new ATOM 0 HA ASP A 23 20.890 1.044 -2.595 1.00 1.51 H new ATOM 0 HB2 ASP A 23 23.149 0.928 -4.638 1.00 1.91 H new ATOM 0 HB3 ASP A 23 22.771 2.310 -3.629 1.00 1.91 H new ATOM 343 N THR A 24 19.344 0.757 -5.009 1.00 1.02 N ATOM 344 CA THR A 24 18.456 1.278 -6.042 1.00 0.98 C ATOM 345 C THR A 24 17.578 2.398 -5.498 1.00 1.01 C ATOM 346 O THR A 24 16.937 3.124 -6.257 1.00 1.16 O ATOM 347 CB THR A 24 17.557 0.172 -6.623 1.00 1.17 C ATOM 348 OG1 THR A 24 16.770 -0.418 -5.581 1.00 1.38 O ATOM 349 CG2 THR A 24 18.391 -0.902 -7.304 1.00 1.19 C ATOM 0 H THR A 24 19.039 -0.124 -4.595 1.00 1.02 H new ATOM 0 HA THR A 24 19.092 1.671 -6.835 1.00 0.98 H new ATOM 0 HB THR A 24 16.898 0.623 -7.365 1.00 1.17 H new ATOM 0 HG1 THR A 24 16.200 -1.119 -5.959 1.00 1.38 H new ATOM 0 HG21 THR A 24 17.733 -1.673 -7.707 1.00 1.19 H new ATOM 0 HG22 THR A 24 18.967 -0.456 -8.115 1.00 1.19 H new ATOM 0 HG23 THR A 24 19.072 -1.348 -6.579 1.00 1.19 H new ATOM 357 N SER A 25 17.556 2.520 -4.171 1.00 1.05 N ATOM 358 CA SER A 25 16.769 3.547 -3.491 1.00 1.35 C ATOM 359 C SER A 25 15.323 3.566 -3.984 1.00 1.17 C ATOM 360 O SER A 25 14.639 4.585 -3.879 1.00 1.39 O ATOM 361 CB SER A 25 17.407 4.926 -3.681 1.00 1.79 C ATOM 362 OG SER A 25 17.405 5.313 -5.045 1.00 2.45 O ATOM 0 H SER A 25 18.080 1.913 -3.541 1.00 1.05 H new ATOM 0 HA SER A 25 16.759 3.302 -2.429 1.00 1.35 H new ATOM 0 HB2 SER A 25 16.864 5.664 -3.091 1.00 1.79 H new ATOM 0 HB3 SER A 25 18.431 4.910 -3.307 1.00 1.79 H new ATOM 0 HG SER A 25 16.878 4.672 -5.566 1.00 2.45 H new ATOM 368 N SER A 26 14.862 2.437 -4.514 1.00 0.84 N ATOM 369 CA SER A 26 13.496 2.333 -5.016 1.00 0.72 C ATOM 370 C SER A 26 12.898 0.966 -4.697 1.00 0.58 C ATOM 371 O SER A 26 13.549 -0.064 -4.872 1.00 0.69 O ATOM 372 CB SER A 26 13.464 2.577 -6.526 1.00 0.81 C ATOM 373 OG SER A 26 12.144 2.478 -7.031 1.00 1.40 O ATOM 0 H SER A 26 15.413 1.583 -4.607 1.00 0.84 H new ATOM 0 HA SER A 26 12.896 3.095 -4.519 1.00 0.72 H new ATOM 0 HB2 SER A 26 13.868 3.565 -6.746 1.00 0.81 H new ATOM 0 HB3 SER A 26 14.104 1.852 -7.028 1.00 0.81 H new ATOM 0 HG SER A 26 12.151 2.640 -7.998 1.00 1.40 H new ATOM 379 N LEU A 27 11.653 0.966 -4.227 1.00 0.42 N ATOM 380 CA LEU A 27 10.961 -0.272 -3.885 1.00 0.32 C ATOM 381 C LEU A 27 9.947 -0.645 -4.961 1.00 0.29 C ATOM 382 O LEU A 27 9.540 -1.802 -5.068 1.00 0.41 O ATOM 383 CB LEU A 27 10.255 -0.136 -2.533 1.00 0.35 C ATOM 384 CG LEU A 27 11.133 -0.402 -1.309 1.00 0.38 C ATOM 385 CD1 LEU A 27 10.391 -0.034 -0.033 1.00 0.45 C ATOM 386 CD2 LEU A 27 11.565 -1.860 -1.270 1.00 0.43 C ATOM 0 H LEU A 27 11.103 1.811 -4.074 1.00 0.42 H new ATOM 0 HA LEU A 27 11.707 -1.064 -3.820 1.00 0.32 H new ATOM 0 HB2 LEU A 27 9.846 0.871 -2.455 1.00 0.35 H new ATOM 0 HB3 LEU A 27 9.411 -0.825 -2.511 1.00 0.35 H new ATOM 0 HG LEU A 27 12.025 0.220 -1.383 1.00 0.38 H new ATOM 0 HD11 LEU A 27 11.030 -0.229 0.828 1.00 0.45 H new ATOM 0 HD12 LEU A 27 10.128 1.023 -0.057 1.00 0.45 H new ATOM 0 HD13 LEU A 27 9.483 -0.632 0.045 1.00 0.45 H new ATOM 0 HD21 LEU A 27 12.189 -2.031 -0.393 1.00 0.43 H new ATOM 0 HD22 LEU A 27 10.684 -2.499 -1.219 1.00 0.43 H new ATOM 0 HD23 LEU A 27 12.132 -2.096 -2.170 1.00 0.43 H new ATOM 398 N GLY A 28 9.545 0.342 -5.754 1.00 0.29 N ATOM 399 CA GLY A 28 8.583 0.099 -6.813 1.00 0.31 C ATOM 400 C GLY A 28 7.169 0.469 -6.411 1.00 0.29 C ATOM 401 O GLY A 28 6.212 0.142 -7.113 1.00 0.52 O ATOM 0 H GLY A 28 9.868 1.307 -5.682 1.00 0.29 H new ATOM 0 HA2 GLY A 28 8.868 0.671 -7.696 1.00 0.31 H new ATOM 0 HA3 GLY A 28 8.614 -0.954 -7.092 1.00 0.31 H new ATOM 405 N ILE A 29 7.038 1.153 -5.278 1.00 0.35 N ATOM 406 CA ILE A 29 5.732 1.570 -4.781 1.00 0.32 C ATOM 407 C ILE A 29 5.397 2.987 -5.236 1.00 0.30 C ATOM 408 O ILE A 29 6.012 3.954 -4.786 1.00 0.35 O ATOM 409 CB ILE A 29 5.674 1.510 -3.242 1.00 0.37 C ATOM 410 CG1 ILE A 29 6.032 0.105 -2.751 1.00 0.46 C ATOM 411 CG2 ILE A 29 4.291 1.916 -2.747 1.00 0.36 C ATOM 412 CD1 ILE A 29 6.133 -0.007 -1.244 1.00 0.84 C ATOM 0 H ILE A 29 7.822 1.430 -4.687 1.00 0.35 H new ATOM 0 HA ILE A 29 4.999 0.877 -5.194 1.00 0.32 H new ATOM 0 HB ILE A 29 6.403 2.212 -2.837 1.00 0.37 H new ATOM 0 HG12 ILE A 29 5.280 -0.598 -3.109 1.00 0.46 H new ATOM 0 HG13 ILE A 29 6.983 -0.193 -3.193 1.00 0.46 H new ATOM 0 HG21 ILE A 29 4.266 1.869 -1.658 1.00 0.36 H new ATOM 0 HG22 ILE A 29 4.073 2.934 -3.071 1.00 0.36 H new ATOM 0 HG23 ILE A 29 3.544 1.237 -3.157 1.00 0.36 H new ATOM 0 HD11 ILE A 29 6.390 -1.031 -0.972 1.00 0.84 H new ATOM 0 HD12 ILE A 29 6.906 0.670 -0.880 1.00 0.84 H new ATOM 0 HD13 ILE A 29 5.176 0.259 -0.794 1.00 0.84 H new ATOM 424 N SER A 30 4.418 3.102 -6.129 1.00 0.27 N ATOM 425 CA SER A 30 3.999 4.404 -6.638 1.00 0.29 C ATOM 426 C SER A 30 2.590 4.742 -6.161 1.00 0.28 C ATOM 427 O SER A 30 1.622 4.077 -6.535 1.00 0.35 O ATOM 428 CB SER A 30 4.053 4.421 -8.167 1.00 0.33 C ATOM 429 OG SER A 30 3.660 5.683 -8.676 1.00 0.95 O ATOM 0 H SER A 30 3.901 2.311 -6.514 1.00 0.27 H new ATOM 0 HA SER A 30 4.686 5.157 -6.252 1.00 0.29 H new ATOM 0 HB2 SER A 30 5.064 4.189 -8.501 1.00 0.33 H new ATOM 0 HB3 SER A 30 3.400 3.645 -8.566 1.00 0.33 H new ATOM 0 HG SER A 30 3.022 5.556 -9.409 1.00 0.95 H new ATOM 435 N ILE A 31 2.482 5.777 -5.333 1.00 0.25 N ATOM 436 CA ILE A 31 1.189 6.202 -4.804 1.00 0.27 C ATOM 437 C ILE A 31 0.651 7.409 -5.562 1.00 0.31 C ATOM 438 O ILE A 31 1.306 7.933 -6.465 1.00 0.41 O ATOM 439 CB ILE A 31 1.278 6.557 -3.307 1.00 0.29 C ATOM 440 CG1 ILE A 31 2.313 7.664 -3.083 1.00 0.31 C ATOM 441 CG2 ILE A 31 1.625 5.322 -2.489 1.00 0.35 C ATOM 442 CD1 ILE A 31 2.290 8.243 -1.683 1.00 0.39 C ATOM 0 H ILE A 31 3.273 6.337 -5.014 1.00 0.25 H new ATOM 0 HA ILE A 31 0.509 5.359 -4.932 1.00 0.27 H new ATOM 0 HB ILE A 31 0.306 6.924 -2.977 1.00 0.29 H new ATOM 0 HG12 ILE A 31 3.307 7.266 -3.286 1.00 0.31 H new ATOM 0 HG13 ILE A 31 2.137 8.465 -3.801 1.00 0.31 H new ATOM 0 HG21 ILE A 31 1.684 5.589 -1.434 1.00 0.35 H new ATOM 0 HG22 ILE A 31 0.854 4.565 -2.629 1.00 0.35 H new ATOM 0 HG23 ILE A 31 2.586 4.926 -2.817 1.00 0.35 H new ATOM 0 HD11 ILE A 31 3.049 9.021 -1.598 1.00 0.39 H new ATOM 0 HD12 ILE A 31 1.308 8.671 -1.482 1.00 0.39 H new ATOM 0 HD13 ILE A 31 2.496 7.454 -0.960 1.00 0.39 H new ATOM 454 N SER A 32 -0.547 7.846 -5.183 1.00 0.37 N ATOM 455 CA SER A 32 -1.182 8.996 -5.817 1.00 0.44 C ATOM 456 C SER A 32 -2.229 9.608 -4.894 1.00 0.55 C ATOM 457 O SER A 32 -3.058 8.900 -4.323 1.00 0.59 O ATOM 458 CB SER A 32 -1.832 8.586 -7.140 1.00 0.48 C ATOM 459 OG SER A 32 -0.868 8.086 -8.049 1.00 1.32 O ATOM 0 H SER A 32 -1.098 7.419 -4.438 1.00 0.37 H new ATOM 0 HA SER A 32 -0.412 9.741 -6.017 1.00 0.44 H new ATOM 0 HB2 SER A 32 -2.591 7.826 -6.955 1.00 0.48 H new ATOM 0 HB3 SER A 32 -2.341 9.444 -7.580 1.00 0.48 H new ATOM 0 HG SER A 32 0.031 8.263 -7.702 1.00 1.32 H new ATOM 465 N GLY A 33 -2.184 10.930 -4.750 1.00 0.70 N ATOM 466 CA GLY A 33 -3.134 11.613 -3.892 1.00 0.87 C ATOM 467 C GLY A 33 -4.432 11.934 -4.606 1.00 0.88 C ATOM 468 O GLY A 33 -4.436 12.636 -5.617 1.00 0.95 O ATOM 0 H GLY A 33 -1.508 11.538 -5.212 1.00 0.70 H new ATOM 0 HA2 GLY A 33 -3.345 10.991 -3.022 1.00 0.87 H new ATOM 0 HA3 GLY A 33 -2.688 12.536 -3.523 1.00 0.87 H new ATOM 472 N MET A 34 -5.539 11.417 -4.079 1.00 1.12 N ATOM 473 CA MET A 34 -6.849 11.656 -4.671 1.00 1.25 C ATOM 474 C MET A 34 -7.269 13.109 -4.473 1.00 1.38 C ATOM 475 O MET A 34 -7.076 13.678 -3.398 1.00 1.63 O ATOM 476 CB MET A 34 -7.891 10.719 -4.059 1.00 1.56 C ATOM 477 CG MET A 34 -9.282 10.885 -4.650 1.00 1.77 C ATOM 478 SD MET A 34 -10.455 9.670 -4.017 1.00 2.04 S ATOM 479 CE MET A 34 -10.466 10.082 -2.275 1.00 1.98 C ATOM 0 H MET A 34 -5.553 10.831 -3.244 1.00 1.12 H new ATOM 0 HA MET A 34 -6.783 11.455 -5.740 1.00 1.25 H new ATOM 0 HB2 MET A 34 -7.567 9.688 -4.199 1.00 1.56 H new ATOM 0 HB3 MET A 34 -7.939 10.895 -2.984 1.00 1.56 H new ATOM 0 HG2 MET A 34 -9.649 11.888 -4.430 1.00 1.77 H new ATOM 0 HG3 MET A 34 -9.224 10.798 -5.735 1.00 1.77 H new ATOM 0 HE1 MET A 34 -11.334 9.626 -1.799 1.00 1.98 H new ATOM 0 HE2 MET A 34 -9.556 9.707 -1.807 1.00 1.98 H new ATOM 0 HE3 MET A 34 -10.515 11.165 -2.157 1.00 1.98 H new ATOM 489 N ARG A 35 -7.842 13.707 -5.512 1.00 1.52 N ATOM 490 CA ARG A 35 -8.284 15.096 -5.446 1.00 1.79 C ATOM 491 C ARG A 35 -9.728 15.187 -4.961 1.00 2.00 C ATOM 492 O ARG A 35 -10.578 14.390 -5.357 1.00 2.40 O ATOM 493 CB ARG A 35 -8.152 15.771 -6.814 1.00 2.21 C ATOM 494 CG ARG A 35 -6.713 15.949 -7.277 1.00 2.56 C ATOM 495 CD ARG A 35 -6.108 14.636 -7.748 1.00 2.88 C ATOM 496 NE ARG A 35 -6.881 14.037 -8.832 1.00 3.69 N ATOM 497 CZ ARG A 35 -6.430 13.055 -9.608 1.00 4.52 C ATOM 498 NH1 ARG A 35 -5.211 12.566 -9.426 1.00 4.68 N ATOM 499 NH2 ARG A 35 -7.201 12.562 -10.567 1.00 5.46 N ATOM 0 H ARG A 35 -8.011 13.252 -6.409 1.00 1.52 H new ATOM 0 HA ARG A 35 -7.644 15.615 -4.733 1.00 1.79 H new ATOM 0 HB2 ARG A 35 -8.691 15.179 -7.554 1.00 2.21 H new ATOM 0 HB3 ARG A 35 -8.634 16.748 -6.774 1.00 2.21 H new ATOM 0 HG2 ARG A 35 -6.679 16.677 -8.087 1.00 2.56 H new ATOM 0 HG3 ARG A 35 -6.115 16.353 -6.460 1.00 2.56 H new ATOM 0 HD2 ARG A 35 -5.085 14.807 -8.084 1.00 2.88 H new ATOM 0 HD3 ARG A 35 -6.056 13.939 -6.911 1.00 2.88 H new ATOM 0 HE ARG A 35 -7.822 14.392 -9.004 1.00 3.69 H new ATOM 0 HH11 ARG A 35 -4.615 12.943 -8.689 1.00 4.68 H new ATOM 0 HH12 ARG A 35 -4.869 11.813 -10.023 1.00 4.68 H new ATOM 0 HH21 ARG A 35 -8.139 12.936 -10.710 1.00 5.46 H new ATOM 0 HH22 ARG A 35 -6.856 11.809 -11.162 1.00 5.46 H new ATOM 513 N ASP A 36 -9.995 16.167 -4.101 1.00 2.20 N ATOM 514 CA ASP A 36 -11.335 16.366 -3.560 1.00 2.60 C ATOM 515 C ASP A 36 -11.639 17.852 -3.391 1.00 2.84 C ATOM 516 O ASP A 36 -11.066 18.518 -2.529 1.00 3.13 O ATOM 517 CB ASP A 36 -11.473 15.654 -2.213 1.00 3.10 C ATOM 518 CG ASP A 36 -11.185 14.169 -2.312 1.00 3.69 C ATOM 519 OD1 ASP A 36 -12.094 13.413 -2.716 1.00 4.03 O ATOM 520 OD2 ASP A 36 -10.050 13.761 -1.985 1.00 4.29 O ATOM 0 H ASP A 36 -9.301 16.835 -3.765 1.00 2.20 H new ATOM 0 HA ASP A 36 -12.050 15.943 -4.265 1.00 2.60 H new ATOM 0 HB2 ASP A 36 -10.790 16.107 -1.494 1.00 3.10 H new ATOM 0 HB3 ASP A 36 -12.483 15.801 -1.829 1.00 3.10 H new ATOM 525 N GLN A 37 -12.542 18.365 -4.221 1.00 3.14 N ATOM 526 CA GLN A 37 -12.925 19.772 -4.160 1.00 3.57 C ATOM 527 C GLN A 37 -14.253 19.938 -3.427 1.00 3.76 C ATOM 528 O GLN A 37 -14.884 20.993 -3.492 1.00 4.28 O ATOM 529 CB GLN A 37 -13.028 20.362 -5.568 1.00 4.06 C ATOM 530 CG GLN A 37 -14.052 19.663 -6.448 1.00 4.18 C ATOM 531 CD GLN A 37 -14.150 20.281 -7.828 1.00 4.68 C ATOM 532 OE1 GLN A 37 -13.446 19.879 -8.753 1.00 4.94 O ATOM 533 NE2 GLN A 37 -15.028 21.268 -7.973 1.00 5.25 N ATOM 0 H GLN A 37 -13.022 17.828 -4.943 1.00 3.14 H new ATOM 0 HA GLN A 37 -12.153 20.309 -3.609 1.00 3.57 H new ATOM 0 HB2 GLN A 37 -13.287 21.418 -5.492 1.00 4.06 H new ATOM 0 HB3 GLN A 37 -12.051 20.307 -6.048 1.00 4.06 H new ATOM 0 HG2 GLN A 37 -13.786 18.610 -6.543 1.00 4.18 H new ATOM 0 HG3 GLN A 37 -15.029 19.703 -5.965 1.00 4.18 H new ATOM 0 HE21 GLN A 37 -15.592 21.570 -7.178 1.00 5.25 H new ATOM 0 HE22 GLN A 37 -15.138 21.724 -8.879 1.00 5.25 H new ATOM 542 N SER A 38 -14.669 18.885 -2.730 1.00 3.75 N ATOM 543 CA SER A 38 -15.920 18.905 -1.983 1.00 4.18 C ATOM 544 C SER A 38 -15.735 18.291 -0.600 1.00 4.18 C ATOM 545 O SER A 38 -15.243 17.169 -0.469 1.00 4.39 O ATOM 546 CB SER A 38 -17.007 18.148 -2.749 1.00 4.65 C ATOM 547 OG SER A 38 -17.236 18.732 -4.021 1.00 4.88 O ATOM 0 H SER A 38 -14.156 18.006 -2.668 1.00 3.75 H new ATOM 0 HA SER A 38 -16.227 19.944 -1.862 1.00 4.18 H new ATOM 0 HB2 SER A 38 -16.711 17.106 -2.872 1.00 4.65 H new ATOM 0 HB3 SER A 38 -17.932 18.151 -2.172 1.00 4.65 H new ATOM 0 HG SER A 38 -17.934 18.229 -4.491 1.00 4.88 H new ATOM 553 N THR A 39 -16.129 19.032 0.430 1.00 4.37 N ATOM 554 CA THR A 39 -16.005 18.562 1.804 1.00 4.62 C ATOM 555 C THR A 39 -17.309 17.944 2.293 1.00 4.92 C ATOM 556 O THR A 39 -18.391 18.483 2.056 1.00 5.20 O ATOM 557 CB THR A 39 -15.605 19.707 2.754 1.00 4.99 C ATOM 558 OG1 THR A 39 -16.630 20.707 2.777 1.00 5.27 O ATOM 559 CG2 THR A 39 -14.289 20.334 2.320 1.00 5.22 C ATOM 0 H THR A 39 -16.538 19.962 0.339 1.00 4.37 H new ATOM 0 HA THR A 39 -15.222 17.804 1.810 1.00 4.62 H new ATOM 0 HB THR A 39 -15.481 19.292 3.754 1.00 4.99 H new ATOM 0 HG1 THR A 39 -16.368 21.430 3.385 1.00 5.27 H new ATOM 0 HG21 THR A 39 -14.027 21.140 3.005 1.00 5.22 H new ATOM 0 HG22 THR A 39 -13.504 19.578 2.332 1.00 5.22 H new ATOM 0 HG23 THR A 39 -14.392 20.734 1.311 1.00 5.22 H new ATOM 567 N THR A 40 -17.201 16.807 2.976 1.00 5.20 N ATOM 568 CA THR A 40 -18.372 16.114 3.500 1.00 5.70 C ATOM 569 C THR A 40 -17.982 15.119 4.590 1.00 5.69 C ATOM 570 O THR A 40 -18.812 14.343 5.062 1.00 6.22 O ATOM 571 CB THR A 40 -19.127 15.367 2.383 1.00 6.36 C ATOM 572 OG1 THR A 40 -20.285 14.718 2.921 1.00 6.91 O ATOM 573 CG2 THR A 40 -18.229 14.338 1.712 1.00 6.50 C ATOM 0 H THR A 40 -16.314 16.347 3.179 1.00 5.20 H new ATOM 0 HA THR A 40 -19.026 16.875 3.926 1.00 5.70 H new ATOM 0 HB THR A 40 -19.435 16.098 1.635 1.00 6.36 H new ATOM 0 HG1 THR A 40 -20.155 14.559 3.879 1.00 6.91 H new ATOM 0 HG21 THR A 40 -18.786 13.825 0.928 1.00 6.50 H new ATOM 0 HG22 THR A 40 -17.365 14.839 1.275 1.00 6.50 H new ATOM 0 HG23 THR A 40 -17.892 13.612 2.452 1.00 6.50 H new ATOM 581 N GLY A 41 -16.713 15.151 4.987 1.00 5.25 N ATOM 582 CA GLY A 41 -16.234 14.246 6.017 1.00 5.36 C ATOM 583 C GLY A 41 -14.867 13.673 5.697 1.00 4.81 C ATOM 584 O GLY A 41 -13.849 14.175 6.174 1.00 4.96 O ATOM 0 H GLY A 41 -16.008 15.787 4.614 1.00 5.25 H new ATOM 0 HA2 GLY A 41 -16.189 14.775 6.969 1.00 5.36 H new ATOM 0 HA3 GLY A 41 -16.947 13.430 6.139 1.00 5.36 H new ATOM 588 N GLU A 42 -14.845 12.618 4.888 1.00 4.49 N ATOM 589 CA GLU A 42 -13.596 11.974 4.503 1.00 4.09 C ATOM 590 C GLU A 42 -12.719 12.924 3.695 1.00 3.18 C ATOM 591 O GLU A 42 -13.194 13.937 3.179 1.00 3.30 O ATOM 592 CB GLU A 42 -13.882 10.708 3.692 1.00 4.75 C ATOM 593 CG GLU A 42 -14.597 9.625 4.484 1.00 5.90 C ATOM 594 CD GLU A 42 -13.765 9.103 5.639 1.00 6.74 C ATOM 595 OE1 GLU A 42 -13.858 9.676 6.745 1.00 7.14 O ATOM 596 OE2 GLU A 42 -13.021 8.119 5.437 1.00 7.22 O ATOM 0 H GLU A 42 -15.680 12.191 4.486 1.00 4.49 H new ATOM 0 HA GLU A 42 -13.060 11.702 5.412 1.00 4.09 H new ATOM 0 HB2 GLU A 42 -14.487 10.971 2.825 1.00 4.75 H new ATOM 0 HB3 GLU A 42 -12.941 10.308 3.314 1.00 4.75 H new ATOM 0 HG2 GLU A 42 -15.537 10.021 4.868 1.00 5.90 H new ATOM 0 HG3 GLU A 42 -14.847 8.799 3.819 1.00 5.90 H new ATOM 603 N ALA A 43 -11.439 12.588 3.586 1.00 2.78 N ATOM 604 CA ALA A 43 -10.493 13.404 2.846 1.00 2.36 C ATOM 605 C ALA A 43 -9.585 12.532 1.987 1.00 2.13 C ATOM 606 O ALA A 43 -9.923 11.391 1.668 1.00 2.67 O ATOM 607 CB ALA A 43 -9.675 14.253 3.810 1.00 3.05 C ATOM 0 H ALA A 43 -11.034 11.751 4.004 1.00 2.78 H new ATOM 0 HA ALA A 43 -11.046 14.067 2.181 1.00 2.36 H new ATOM 0 HB1 ALA A 43 -8.968 14.862 3.248 1.00 3.05 H new ATOM 0 HB2 ALA A 43 -10.341 14.902 4.379 1.00 3.05 H new ATOM 0 HB3 ALA A 43 -9.130 13.603 4.495 1.00 3.05 H new ATOM 613 N THR A 44 -8.436 13.077 1.615 1.00 1.84 N ATOM 614 CA THR A 44 -7.472 12.358 0.789 1.00 1.65 C ATOM 615 C THR A 44 -7.007 11.074 1.468 1.00 1.26 C ATOM 616 O THR A 44 -7.375 10.792 2.610 1.00 1.53 O ATOM 617 CB THR A 44 -6.241 13.228 0.475 1.00 2.07 C ATOM 618 OG1 THR A 44 -5.562 13.572 1.689 1.00 2.30 O ATOM 619 CG2 THR A 44 -6.646 14.497 -0.259 1.00 2.53 C ATOM 0 H THR A 44 -8.146 14.020 1.873 1.00 1.84 H new ATOM 0 HA THR A 44 -7.983 12.109 -0.141 1.00 1.65 H new ATOM 0 HB THR A 44 -5.573 12.653 -0.167 1.00 2.07 H new ATOM 0 HG1 THR A 44 -4.779 14.124 1.481 1.00 2.30 H new ATOM 0 HG21 THR A 44 -5.759 15.094 -0.469 1.00 2.53 H new ATOM 0 HG22 THR A 44 -7.137 14.234 -1.196 1.00 2.53 H new ATOM 0 HG23 THR A 44 -7.333 15.073 0.362 1.00 2.53 H new ATOM 627 N GLY A 45 -6.191 10.300 0.758 1.00 1.05 N ATOM 628 CA GLY A 45 -5.685 9.054 1.304 1.00 0.80 C ATOM 629 C GLY A 45 -4.470 8.544 0.554 1.00 0.75 C ATOM 630 O GLY A 45 -4.236 8.925 -0.593 1.00 1.14 O ATOM 0 H GLY A 45 -5.871 10.514 -0.187 1.00 1.05 H new ATOM 0 HA2 GLY A 45 -5.426 9.199 2.353 1.00 0.80 H new ATOM 0 HA3 GLY A 45 -6.472 8.300 1.271 1.00 0.80 H new ATOM 634 N ILE A 46 -3.695 7.681 1.202 1.00 0.46 N ATOM 635 CA ILE A 46 -2.497 7.117 0.590 1.00 0.39 C ATOM 636 C ILE A 46 -2.772 5.724 0.034 1.00 0.39 C ATOM 637 O ILE A 46 -2.923 4.762 0.788 1.00 0.57 O ATOM 638 CB ILE A 46 -1.334 7.039 1.600 1.00 0.38 C ATOM 639 CG1 ILE A 46 -1.078 8.414 2.226 1.00 0.65 C ATOM 640 CG2 ILE A 46 -0.074 6.511 0.926 1.00 0.43 C ATOM 641 CD1 ILE A 46 -0.677 9.480 1.227 1.00 0.55 C ATOM 0 H ILE A 46 -3.875 7.356 2.152 1.00 0.46 H new ATOM 0 HA ILE A 46 -2.212 7.781 -0.226 1.00 0.39 H new ATOM 0 HB ILE A 46 -1.611 6.346 2.394 1.00 0.38 H new ATOM 0 HG12 ILE A 46 -1.979 8.739 2.746 1.00 0.65 H new ATOM 0 HG13 ILE A 46 -0.293 8.320 2.976 1.00 0.65 H new ATOM 0 HG21 ILE A 46 0.735 6.463 1.654 1.00 0.43 H new ATOM 0 HG22 ILE A 46 -0.264 5.514 0.529 1.00 0.43 H new ATOM 0 HG23 ILE A 46 0.210 7.178 0.112 1.00 0.43 H new ATOM 0 HD11 ILE A 46 -0.514 10.424 1.748 1.00 0.55 H new ATOM 0 HD12 ILE A 46 0.242 9.180 0.724 1.00 0.55 H new ATOM 0 HD13 ILE A 46 -1.470 9.605 0.490 1.00 0.55 H new ATOM 653 N TYR A 47 -2.834 5.623 -1.291 1.00 0.30 N ATOM 654 CA TYR A 47 -3.095 4.347 -1.949 1.00 0.30 C ATOM 655 C TYR A 47 -2.215 4.177 -3.187 1.00 0.26 C ATOM 656 O TYR A 47 -2.016 5.120 -3.954 1.00 0.29 O ATOM 657 CB TYR A 47 -4.572 4.248 -2.339 1.00 0.36 C ATOM 658 CG TYR A 47 -5.033 5.348 -3.269 1.00 0.40 C ATOM 659 CD1 TYR A 47 -5.442 6.579 -2.769 1.00 0.43 C ATOM 660 CD2 TYR A 47 -5.060 5.159 -4.646 1.00 0.48 C ATOM 661 CE1 TYR A 47 -5.866 7.586 -3.612 1.00 0.51 C ATOM 662 CE2 TYR A 47 -5.481 6.163 -5.496 1.00 0.57 C ATOM 663 CZ TYR A 47 -5.878 7.369 -4.983 1.00 0.58 C ATOM 664 OH TYR A 47 -6.303 8.377 -5.817 1.00 0.70 O ATOM 0 H TYR A 47 -2.707 6.409 -1.929 1.00 0.30 H new ATOM 0 HA TYR A 47 -2.855 3.548 -1.247 1.00 0.30 H new ATOM 0 HB2 TYR A 47 -4.748 3.284 -2.816 1.00 0.36 H new ATOM 0 HB3 TYR A 47 -5.179 4.272 -1.434 1.00 0.36 H new ATOM 0 HD1 TYR A 47 -5.428 6.750 -1.703 1.00 0.43 H new ATOM 0 HD2 TYR A 47 -4.747 4.211 -5.058 1.00 0.48 H new ATOM 0 HE1 TYR A 47 -6.186 8.535 -3.208 1.00 0.51 H new ATOM 0 HE2 TYR A 47 -5.497 5.997 -6.563 1.00 0.57 H new ATOM 0 HH TYR A 47 -6.253 8.074 -6.748 1.00 0.70 H new ATOM 674 N VAL A 48 -1.688 2.968 -3.375 1.00 0.26 N ATOM 675 CA VAL A 48 -0.835 2.674 -4.522 1.00 0.25 C ATOM 676 C VAL A 48 -1.661 2.567 -5.798 1.00 0.28 C ATOM 677 O VAL A 48 -2.558 1.729 -5.901 1.00 0.39 O ATOM 678 CB VAL A 48 -0.047 1.364 -4.319 1.00 0.27 C ATOM 679 CG1 VAL A 48 0.792 1.042 -5.548 1.00 0.29 C ATOM 680 CG2 VAL A 48 0.828 1.456 -3.081 1.00 0.29 C ATOM 0 H VAL A 48 -1.837 2.178 -2.748 1.00 0.26 H new ATOM 0 HA VAL A 48 -0.128 3.499 -4.614 1.00 0.25 H new ATOM 0 HB VAL A 48 -0.762 0.554 -4.175 1.00 0.27 H new ATOM 0 HG11 VAL A 48 1.339 0.114 -5.382 1.00 0.29 H new ATOM 0 HG12 VAL A 48 0.140 0.929 -6.414 1.00 0.29 H new ATOM 0 HG13 VAL A 48 1.498 1.852 -5.729 1.00 0.29 H new ATOM 0 HG21 VAL A 48 1.377 0.523 -2.953 1.00 0.29 H new ATOM 0 HG22 VAL A 48 1.533 2.279 -3.194 1.00 0.29 H new ATOM 0 HG23 VAL A 48 0.203 1.632 -2.206 1.00 0.29 H new ATOM 690 N LYS A 49 -1.351 3.419 -6.769 1.00 0.31 N ATOM 691 CA LYS A 49 -2.068 3.426 -8.038 1.00 0.38 C ATOM 692 C LYS A 49 -1.287 2.683 -9.119 1.00 0.32 C ATOM 693 O LYS A 49 -1.862 2.225 -10.107 1.00 0.37 O ATOM 694 CB LYS A 49 -2.337 4.865 -8.480 1.00 0.49 C ATOM 695 CG LYS A 49 -3.184 4.971 -9.738 1.00 0.61 C ATOM 696 CD LYS A 49 -3.426 6.420 -10.130 1.00 0.84 C ATOM 697 CE LYS A 49 -4.376 7.111 -9.164 1.00 1.65 C ATOM 698 NZ LYS A 49 -4.534 8.557 -9.478 1.00 2.40 N ATOM 0 H LYS A 49 -0.607 4.114 -6.701 1.00 0.31 H new ATOM 0 HA LYS A 49 -3.017 2.910 -7.893 1.00 0.38 H new ATOM 0 HB2 LYS A 49 -2.837 5.397 -7.670 1.00 0.49 H new ATOM 0 HB3 LYS A 49 -1.385 5.367 -8.651 1.00 0.49 H new ATOM 0 HG2 LYS A 49 -2.687 4.450 -10.557 1.00 0.61 H new ATOM 0 HG3 LYS A 49 -4.140 4.473 -9.577 1.00 0.61 H new ATOM 0 HD2 LYS A 49 -2.476 6.955 -10.152 1.00 0.84 H new ATOM 0 HD3 LYS A 49 -3.838 6.461 -11.138 1.00 0.84 H new ATOM 0 HE2 LYS A 49 -5.350 6.623 -9.202 1.00 1.65 H new ATOM 0 HE3 LYS A 49 -4.003 6.999 -8.146 1.00 1.65 H new ATOM 0 HZ1 LYS A 49 -5.189 8.991 -8.797 1.00 2.40 H new ATOM 0 HZ2 LYS A 49 -3.609 9.029 -9.417 1.00 2.40 H new ATOM 0 HZ3 LYS A 49 -4.914 8.664 -10.440 1.00 2.40 H new ATOM 712 N SER A 50 0.026 2.562 -8.930 1.00 0.28 N ATOM 713 CA SER A 50 0.871 1.877 -9.903 1.00 0.35 C ATOM 714 C SER A 50 2.149 1.343 -9.259 1.00 0.28 C ATOM 715 O SER A 50 2.463 1.661 -8.111 1.00 0.25 O ATOM 716 CB SER A 50 1.228 2.825 -11.049 1.00 0.49 C ATOM 717 OG SER A 50 1.948 3.951 -10.575 1.00 1.28 O ATOM 0 H SER A 50 0.524 2.927 -8.118 1.00 0.28 H new ATOM 0 HA SER A 50 0.308 1.029 -10.292 1.00 0.35 H new ATOM 0 HB2 SER A 50 1.824 2.295 -11.791 1.00 0.49 H new ATOM 0 HB3 SER A 50 0.317 3.156 -11.549 1.00 0.49 H new ATOM 0 HG SER A 50 2.166 4.540 -11.327 1.00 1.28 H new ATOM 723 N LEU A 51 2.879 0.530 -10.018 1.00 0.32 N ATOM 724 CA LEU A 51 4.129 -0.055 -9.545 1.00 0.27 C ATOM 725 C LEU A 51 5.247 0.189 -10.556 1.00 0.27 C ATOM 726 O LEU A 51 4.996 0.646 -11.671 1.00 0.42 O ATOM 727 CB LEU A 51 3.960 -1.559 -9.309 1.00 0.30 C ATOM 728 CG LEU A 51 2.925 -1.941 -8.247 1.00 0.33 C ATOM 729 CD1 LEU A 51 2.728 -3.449 -8.215 1.00 0.40 C ATOM 730 CD2 LEU A 51 3.349 -1.430 -6.879 1.00 0.32 C ATOM 0 H LEU A 51 2.624 0.261 -10.968 1.00 0.32 H new ATOM 0 HA LEU A 51 4.395 0.422 -8.602 1.00 0.27 H new ATOM 0 HB2 LEU A 51 3.680 -2.029 -10.252 1.00 0.30 H new ATOM 0 HB3 LEU A 51 4.925 -1.976 -9.019 1.00 0.30 H new ATOM 0 HG LEU A 51 1.975 -1.474 -8.508 1.00 0.33 H new ATOM 0 HD11 LEU A 51 1.989 -3.703 -7.455 1.00 0.40 H new ATOM 0 HD12 LEU A 51 2.379 -3.791 -9.189 1.00 0.40 H new ATOM 0 HD13 LEU A 51 3.675 -3.935 -7.978 1.00 0.40 H new ATOM 0 HD21 LEU A 51 2.601 -1.711 -6.138 1.00 0.32 H new ATOM 0 HD22 LEU A 51 4.310 -1.868 -6.609 1.00 0.32 H new ATOM 0 HD23 LEU A 51 3.440 -0.344 -6.908 1.00 0.32 H new ATOM 742 N ILE A 52 6.479 -0.116 -10.159 1.00 0.24 N ATOM 743 CA ILE A 52 7.629 0.073 -11.035 1.00 0.24 C ATOM 744 C ILE A 52 8.198 -1.271 -11.494 1.00 0.23 C ATOM 745 O ILE A 52 8.956 -1.910 -10.763 1.00 0.28 O ATOM 746 CB ILE A 52 8.743 0.875 -10.333 1.00 0.27 C ATOM 747 CG1 ILE A 52 8.190 2.194 -9.783 1.00 0.36 C ATOM 748 CG2 ILE A 52 9.900 1.132 -11.289 1.00 0.31 C ATOM 749 CD1 ILE A 52 7.614 3.111 -10.844 1.00 1.26 C ATOM 0 H ILE A 52 6.705 -0.494 -9.239 1.00 0.24 H new ATOM 0 HA ILE A 52 7.278 0.633 -11.902 1.00 0.24 H new ATOM 0 HB ILE A 52 9.117 0.286 -9.496 1.00 0.27 H new ATOM 0 HG12 ILE A 52 7.415 1.973 -9.049 1.00 0.36 H new ATOM 0 HG13 ILE A 52 8.987 2.719 -9.257 1.00 0.36 H new ATOM 0 HG21 ILE A 52 10.677 1.699 -10.776 1.00 0.31 H new ATOM 0 HG22 ILE A 52 10.310 0.181 -11.628 1.00 0.31 H new ATOM 0 HG23 ILE A 52 9.543 1.700 -12.148 1.00 0.31 H new ATOM 0 HD11 ILE A 52 7.244 4.023 -10.375 1.00 1.26 H new ATOM 0 HD12 ILE A 52 8.390 3.364 -11.566 1.00 1.26 H new ATOM 0 HD13 ILE A 52 6.794 2.607 -11.355 1.00 1.26 H new ATOM 761 N PRO A 53 7.840 -1.723 -12.713 1.00 0.31 N ATOM 762 CA PRO A 53 8.327 -2.996 -13.259 1.00 0.35 C ATOM 763 C PRO A 53 9.850 -3.080 -13.262 1.00 0.34 C ATOM 764 O PRO A 53 10.518 -2.364 -14.009 1.00 0.46 O ATOM 765 CB PRO A 53 7.789 -3.004 -14.692 1.00 0.43 C ATOM 766 CG PRO A 53 6.607 -2.102 -14.660 1.00 0.82 C ATOM 767 CD PRO A 53 6.929 -1.037 -13.651 1.00 0.47 C ATOM 0 HA PRO A 53 7.995 -3.846 -12.663 1.00 0.35 H new ATOM 0 HB2 PRO A 53 8.539 -2.648 -15.398 1.00 0.43 H new ATOM 0 HB3 PRO A 53 7.510 -4.010 -15.004 1.00 0.43 H new ATOM 0 HG2 PRO A 53 6.421 -1.666 -15.642 1.00 0.82 H new ATOM 0 HG3 PRO A 53 5.707 -2.648 -14.378 1.00 0.82 H new ATOM 0 HD2 PRO A 53 7.405 -0.174 -14.115 1.00 0.47 H new ATOM 0 HD3 PRO A 53 6.032 -0.675 -13.148 1.00 0.47 H new ATOM 775 N GLY A 54 10.393 -3.957 -12.423 1.00 0.39 N ATOM 776 CA GLY A 54 11.833 -4.118 -12.346 1.00 0.41 C ATOM 777 C GLY A 54 12.362 -3.942 -10.935 1.00 0.39 C ATOM 778 O GLY A 54 13.570 -4.008 -10.706 1.00 0.49 O ATOM 0 H GLY A 54 9.861 -4.559 -11.795 1.00 0.39 H new ATOM 0 HA2 GLY A 54 12.105 -5.108 -12.712 1.00 0.41 H new ATOM 0 HA3 GLY A 54 12.312 -3.393 -13.004 1.00 0.41 H new ATOM 782 N SER A 55 11.456 -3.712 -9.989 1.00 0.35 N ATOM 783 CA SER A 55 11.837 -3.524 -8.593 1.00 0.35 C ATOM 784 C SER A 55 11.351 -4.688 -7.735 1.00 0.32 C ATOM 785 O SER A 55 10.780 -5.650 -8.247 1.00 0.36 O ATOM 786 CB SER A 55 11.266 -2.208 -8.061 1.00 0.37 C ATOM 787 OG SER A 55 11.765 -1.919 -6.767 1.00 1.23 O ATOM 0 H SER A 55 10.453 -3.651 -10.164 1.00 0.35 H new ATOM 0 HA SER A 55 12.925 -3.488 -8.540 1.00 0.35 H new ATOM 0 HB2 SER A 55 11.522 -1.396 -8.742 1.00 0.37 H new ATOM 0 HB3 SER A 55 10.178 -2.267 -8.029 1.00 0.37 H new ATOM 0 HG SER A 55 12.105 -1.000 -6.745 1.00 1.23 H new ATOM 793 N ALA A 56 11.581 -4.595 -6.428 1.00 0.35 N ATOM 794 CA ALA A 56 11.167 -5.644 -5.502 1.00 0.36 C ATOM 795 C ALA A 56 9.657 -5.851 -5.539 1.00 0.32 C ATOM 796 O ALA A 56 9.179 -6.970 -5.727 1.00 0.34 O ATOM 797 CB ALA A 56 11.620 -5.308 -4.089 1.00 0.42 C ATOM 0 H ALA A 56 12.051 -3.805 -5.987 1.00 0.35 H new ATOM 0 HA ALA A 56 11.640 -6.575 -5.814 1.00 0.36 H new ATOM 0 HB1 ALA A 56 11.305 -6.099 -3.408 1.00 0.42 H new ATOM 0 HB2 ALA A 56 12.706 -5.221 -4.066 1.00 0.42 H new ATOM 0 HB3 ALA A 56 11.174 -4.363 -3.779 1.00 0.42 H new ATOM 803 N ALA A 57 8.911 -4.764 -5.358 1.00 0.30 N ATOM 804 CA ALA A 57 7.452 -4.821 -5.367 1.00 0.30 C ATOM 805 C ALA A 57 6.932 -5.489 -6.636 1.00 0.30 C ATOM 806 O ALA A 57 6.058 -6.354 -6.582 1.00 0.35 O ATOM 807 CB ALA A 57 6.871 -3.423 -5.235 1.00 0.32 C ATOM 0 H ALA A 57 9.294 -3.831 -5.203 1.00 0.30 H new ATOM 0 HA ALA A 57 7.134 -5.422 -4.515 1.00 0.30 H new ATOM 0 HB1 ALA A 57 5.782 -3.479 -5.243 1.00 0.32 H new ATOM 0 HB2 ALA A 57 7.204 -2.977 -4.298 1.00 0.32 H new ATOM 0 HB3 ALA A 57 7.209 -2.808 -6.069 1.00 0.32 H new ATOM 813 N ALA A 58 7.477 -5.079 -7.778 1.00 0.31 N ATOM 814 CA ALA A 58 7.067 -5.630 -9.066 1.00 0.33 C ATOM 815 C ALA A 58 7.420 -7.111 -9.172 1.00 0.34 C ATOM 816 O ALA A 58 6.660 -7.899 -9.738 1.00 0.44 O ATOM 817 CB ALA A 58 7.711 -4.848 -10.200 1.00 0.37 C ATOM 0 H ALA A 58 8.204 -4.366 -7.838 1.00 0.31 H new ATOM 0 HA ALA A 58 5.984 -5.539 -9.144 1.00 0.33 H new ATOM 0 HB1 ALA A 58 7.398 -5.268 -11.156 1.00 0.37 H new ATOM 0 HB2 ALA A 58 7.402 -3.804 -10.144 1.00 0.37 H new ATOM 0 HB3 ALA A 58 8.796 -4.910 -10.115 1.00 0.37 H new ATOM 823 N LEU A 59 8.573 -7.484 -8.625 1.00 0.35 N ATOM 824 CA LEU A 59 9.023 -8.871 -8.658 1.00 0.39 C ATOM 825 C LEU A 59 8.224 -9.725 -7.681 1.00 0.42 C ATOM 826 O LEU A 59 8.182 -10.950 -7.800 1.00 0.57 O ATOM 827 CB LEU A 59 10.516 -8.959 -8.327 1.00 0.47 C ATOM 828 CG LEU A 59 11.460 -8.426 -9.408 1.00 0.53 C ATOM 829 CD1 LEU A 59 12.886 -8.359 -8.882 1.00 0.66 C ATOM 830 CD2 LEU A 59 11.394 -9.299 -10.655 1.00 0.61 C ATOM 0 H LEU A 59 9.213 -6.845 -8.153 1.00 0.35 H new ATOM 0 HA LEU A 59 8.860 -9.253 -9.666 1.00 0.39 H new ATOM 0 HB2 LEU A 59 10.699 -8.408 -7.404 1.00 0.47 H new ATOM 0 HB3 LEU A 59 10.767 -10.002 -8.131 1.00 0.47 H new ATOM 0 HG LEU A 59 11.141 -7.419 -9.676 1.00 0.53 H new ATOM 0 HD11 LEU A 59 13.544 -7.978 -9.663 1.00 0.66 H new ATOM 0 HD12 LEU A 59 12.925 -7.695 -8.019 1.00 0.66 H new ATOM 0 HD13 LEU A 59 13.212 -9.356 -8.587 1.00 0.66 H new ATOM 0 HD21 LEU A 59 12.072 -8.904 -11.412 1.00 0.61 H new ATOM 0 HD22 LEU A 59 11.687 -10.318 -10.402 1.00 0.61 H new ATOM 0 HD23 LEU A 59 10.376 -9.300 -11.045 1.00 0.61 H new ATOM 842 N ASP A 60 7.588 -9.069 -6.715 1.00 0.44 N ATOM 843 CA ASP A 60 6.790 -9.767 -5.714 1.00 0.52 C ATOM 844 C ASP A 60 5.563 -10.414 -6.352 1.00 0.61 C ATOM 845 O ASP A 60 5.313 -11.606 -6.169 1.00 0.79 O ATOM 846 CB ASP A 60 6.366 -8.800 -4.608 1.00 0.74 C ATOM 847 CG ASP A 60 5.537 -9.476 -3.536 1.00 1.08 C ATOM 848 OD1 ASP A 60 6.127 -10.130 -2.651 1.00 1.32 O ATOM 849 OD2 ASP A 60 4.297 -9.347 -3.581 1.00 1.86 O ATOM 0 H ASP A 60 7.610 -8.055 -6.605 1.00 0.44 H new ATOM 0 HA ASP A 60 7.402 -10.556 -5.277 1.00 0.52 H new ATOM 0 HB2 ASP A 60 7.254 -8.360 -4.154 1.00 0.74 H new ATOM 0 HB3 ASP A 60 5.793 -7.982 -5.044 1.00 0.74 H new ATOM 854 N GLY A 61 4.801 -9.621 -7.100 1.00 0.72 N ATOM 855 CA GLY A 61 3.618 -10.137 -7.766 1.00 1.06 C ATOM 856 C GLY A 61 2.363 -10.035 -6.920 1.00 0.83 C ATOM 857 O GLY A 61 1.308 -9.635 -7.416 1.00 0.94 O ATOM 0 H GLY A 61 4.982 -8.630 -7.257 1.00 0.72 H new ATOM 0 HA2 GLY A 61 3.466 -9.591 -8.697 1.00 1.06 H new ATOM 0 HA3 GLY A 61 3.785 -11.181 -8.032 1.00 1.06 H new ATOM 861 N ARG A 62 2.472 -10.398 -5.646 1.00 0.63 N ATOM 862 CA ARG A 62 1.330 -10.352 -4.739 1.00 0.59 C ATOM 863 C ARG A 62 0.773 -8.935 -4.627 1.00 0.52 C ATOM 864 O ARG A 62 -0.389 -8.743 -4.266 1.00 0.69 O ATOM 865 CB ARG A 62 1.728 -10.868 -3.355 1.00 0.67 C ATOM 866 CG ARG A 62 2.352 -12.255 -3.379 1.00 0.81 C ATOM 867 CD ARG A 62 1.344 -13.310 -3.802 1.00 1.05 C ATOM 868 NE ARG A 62 0.207 -13.373 -2.887 1.00 1.31 N ATOM 869 CZ ARG A 62 -0.720 -14.326 -2.926 1.00 1.93 C ATOM 870 NH1 ARG A 62 -0.648 -15.288 -3.835 1.00 2.26 N ATOM 871 NH2 ARG A 62 -1.719 -14.316 -2.055 1.00 2.59 N ATOM 0 H ARG A 62 3.338 -10.727 -5.219 1.00 0.63 H new ATOM 0 HA ARG A 62 0.551 -10.995 -5.149 1.00 0.59 H new ATOM 0 HB2 ARG A 62 2.433 -10.169 -2.905 1.00 0.67 H new ATOM 0 HB3 ARG A 62 0.845 -10.887 -2.716 1.00 0.67 H new ATOM 0 HG2 ARG A 62 3.199 -12.263 -4.066 1.00 0.81 H new ATOM 0 HG3 ARG A 62 2.741 -12.497 -2.390 1.00 0.81 H new ATOM 0 HD2 ARG A 62 0.988 -13.090 -4.809 1.00 1.05 H new ATOM 0 HD3 ARG A 62 1.832 -14.284 -3.842 1.00 1.05 H new ATOM 0 HE ARG A 62 0.119 -12.645 -2.178 1.00 1.31 H new ATOM 0 HH11 ARG A 62 0.120 -15.299 -4.507 1.00 2.26 H new ATOM 0 HH12 ARG A 62 -1.360 -16.018 -3.863 1.00 2.26 H new ATOM 0 HH21 ARG A 62 -1.777 -13.577 -1.354 1.00 2.59 H new ATOM 0 HH22 ARG A 62 -2.430 -15.047 -2.086 1.00 2.59 H new ATOM 885 N ILE A 63 1.605 -7.946 -4.940 1.00 0.48 N ATOM 886 CA ILE A 63 1.191 -6.549 -4.873 1.00 0.48 C ATOM 887 C ILE A 63 0.437 -6.141 -6.135 1.00 0.49 C ATOM 888 O ILE A 63 1.022 -6.031 -7.213 1.00 0.59 O ATOM 889 CB ILE A 63 2.398 -5.612 -4.682 1.00 0.58 C ATOM 890 CG1 ILE A 63 3.238 -6.068 -3.487 1.00 0.66 C ATOM 891 CG2 ILE A 63 1.927 -4.175 -4.493 1.00 0.66 C ATOM 892 CD1 ILE A 63 4.510 -5.270 -3.300 1.00 0.92 C ATOM 0 H ILE A 63 2.569 -8.086 -5.242 1.00 0.48 H new ATOM 0 HA ILE A 63 0.531 -6.455 -4.011 1.00 0.48 H new ATOM 0 HB ILE A 63 3.021 -5.654 -5.576 1.00 0.58 H new ATOM 0 HG12 ILE A 63 2.636 -5.994 -2.581 1.00 0.66 H new ATOM 0 HG13 ILE A 63 3.494 -7.120 -3.614 1.00 0.66 H new ATOM 0 HG21 ILE A 63 2.791 -3.524 -4.359 1.00 0.66 H new ATOM 0 HG22 ILE A 63 1.366 -3.857 -5.372 1.00 0.66 H new ATOM 0 HG23 ILE A 63 1.287 -4.115 -3.613 1.00 0.66 H new ATOM 0 HD11 ILE A 63 5.054 -5.649 -2.435 1.00 0.92 H new ATOM 0 HD12 ILE A 63 5.133 -5.364 -4.190 1.00 0.92 H new ATOM 0 HD13 ILE A 63 4.261 -4.221 -3.141 1.00 0.92 H new ATOM 904 N GLU A 64 -0.866 -5.917 -5.993 1.00 0.51 N ATOM 905 CA GLU A 64 -1.703 -5.522 -7.120 1.00 0.58 C ATOM 906 C GLU A 64 -1.975 -4.017 -7.086 1.00 0.56 C ATOM 907 O GLU A 64 -2.279 -3.463 -6.030 1.00 0.66 O ATOM 908 CB GLU A 64 -3.024 -6.293 -7.087 1.00 0.79 C ATOM 909 CG GLU A 64 -3.938 -5.990 -8.263 1.00 1.09 C ATOM 910 CD GLU A 64 -5.226 -6.787 -8.219 1.00 1.39 C ATOM 911 OE1 GLU A 64 -5.245 -7.916 -8.754 1.00 1.67 O ATOM 912 OE2 GLU A 64 -6.217 -6.283 -7.649 1.00 1.98 O ATOM 0 H GLU A 64 -1.365 -6.003 -5.108 1.00 0.51 H new ATOM 0 HA GLU A 64 -1.174 -5.758 -8.044 1.00 0.58 H new ATOM 0 HB2 GLU A 64 -2.810 -7.362 -7.070 1.00 0.79 H new ATOM 0 HB3 GLU A 64 -3.548 -6.058 -6.161 1.00 0.79 H new ATOM 0 HG2 GLU A 64 -4.173 -4.926 -8.271 1.00 1.09 H new ATOM 0 HG3 GLU A 64 -3.412 -6.207 -9.193 1.00 1.09 H new ATOM 919 N PRO A 65 -1.871 -3.332 -8.243 1.00 0.56 N ATOM 920 CA PRO A 65 -2.107 -1.885 -8.326 1.00 0.64 C ATOM 921 C PRO A 65 -3.496 -1.492 -7.831 1.00 0.72 C ATOM 922 O PRO A 65 -4.334 -2.351 -7.558 1.00 1.44 O ATOM 923 CB PRO A 65 -1.971 -1.578 -9.822 1.00 0.77 C ATOM 924 CG PRO A 65 -1.156 -2.697 -10.371 1.00 0.83 C ATOM 925 CD PRO A 65 -1.519 -3.906 -9.556 1.00 0.62 C ATOM 0 HA PRO A 65 -1.410 -1.329 -7.699 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -2.947 -1.526 -10.305 1.00 0.77 H new ATOM 0 HB3 PRO A 65 -1.483 -0.617 -9.985 1.00 0.77 H new ATOM 0 HG2 PRO A 65 -1.373 -2.858 -11.427 1.00 0.83 H new ATOM 0 HG3 PRO A 65 -0.091 -2.479 -10.294 1.00 0.83 H new ATOM 0 HD2 PRO A 65 -2.355 -4.451 -9.994 1.00 0.62 H new ATOM 0 HD3 PRO A 65 -0.687 -4.606 -9.480 1.00 0.62 H new ATOM 933 N ASN A 66 -3.727 -0.186 -7.723 1.00 0.60 N ATOM 934 CA ASN A 66 -5.011 0.335 -7.263 1.00 0.59 C ATOM 935 C ASN A 66 -5.343 -0.169 -5.861 1.00 0.51 C ATOM 936 O ASN A 66 -6.512 -0.271 -5.490 1.00 0.73 O ATOM 937 CB ASN A 66 -6.124 -0.055 -8.240 1.00 0.66 C ATOM 938 CG ASN A 66 -5.930 0.562 -9.610 1.00 1.34 C ATOM 939 OD1 ASN A 66 -5.370 1.650 -9.740 1.00 2.15 O ATOM 940 ND2 ASN A 66 -6.395 -0.131 -10.644 1.00 2.01 N ATOM 0 H ASN A 66 -3.039 0.533 -7.949 1.00 0.60 H new ATOM 0 HA ASN A 66 -4.936 1.422 -7.223 1.00 0.59 H new ATOM 0 HB2 ASN A 66 -6.157 -1.140 -8.334 1.00 0.66 H new ATOM 0 HB3 ASN A 66 -7.086 0.260 -7.835 1.00 0.66 H new ATOM 0 HD21 ASN A 66 -6.294 0.236 -11.590 1.00 2.01 H new ATOM 0 HD22 ASN A 66 -6.853 -1.029 -10.491 1.00 2.01 H new ATOM 947 N ASP A 67 -4.308 -0.480 -5.085 1.00 0.36 N ATOM 948 CA ASP A 67 -4.493 -0.969 -3.722 1.00 0.34 C ATOM 949 C ASP A 67 -4.412 0.180 -2.723 1.00 0.30 C ATOM 950 O ASP A 67 -3.850 1.233 -3.023 1.00 0.38 O ATOM 951 CB ASP A 67 -3.438 -2.024 -3.385 1.00 0.41 C ATOM 952 CG ASP A 67 -2.030 -1.462 -3.405 1.00 1.17 C ATOM 953 OD1 ASP A 67 -1.586 -0.933 -2.364 1.00 1.46 O ATOM 954 OD2 ASP A 67 -1.369 -1.552 -4.462 1.00 2.02 O ATOM 0 H ASP A 67 -3.334 -0.402 -5.376 1.00 0.36 H new ATOM 0 HA ASP A 67 -5.482 -1.423 -3.656 1.00 0.34 H new ATOM 0 HB2 ASP A 67 -3.646 -2.440 -2.399 1.00 0.41 H new ATOM 0 HB3 ASP A 67 -3.509 -2.845 -4.099 1.00 0.41 H new ATOM 959 N LYS A 68 -4.976 -0.024 -1.536 1.00 0.27 N ATOM 960 CA LYS A 68 -4.958 1.003 -0.502 1.00 0.28 C ATOM 961 C LYS A 68 -3.998 0.627 0.623 1.00 0.26 C ATOM 962 O LYS A 68 -4.116 -0.442 1.220 1.00 0.38 O ATOM 963 CB LYS A 68 -6.364 1.218 0.058 1.00 0.37 C ATOM 964 CG LYS A 68 -6.446 2.345 1.075 1.00 0.53 C ATOM 965 CD LYS A 68 -7.871 2.565 1.553 1.00 0.53 C ATOM 966 CE LYS A 68 -7.955 3.739 2.512 1.00 0.58 C ATOM 967 NZ LYS A 68 -9.351 3.993 2.962 1.00 1.02 N ATOM 0 H LYS A 68 -5.449 -0.887 -1.268 1.00 0.27 H new ATOM 0 HA LYS A 68 -4.611 1.932 -0.954 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -7.046 1.432 -0.765 1.00 0.37 H new ATOM 0 HB3 LYS A 68 -6.706 0.294 0.523 1.00 0.37 H new ATOM 0 HG2 LYS A 68 -5.807 2.114 1.928 1.00 0.53 H new ATOM 0 HG3 LYS A 68 -6.064 3.265 0.631 1.00 0.53 H new ATOM 0 HD2 LYS A 68 -8.521 2.745 0.696 1.00 0.53 H new ATOM 0 HD3 LYS A 68 -8.235 1.663 2.045 1.00 0.53 H new ATOM 0 HE2 LYS A 68 -7.324 3.544 3.379 1.00 0.58 H new ATOM 0 HE3 LYS A 68 -7.562 4.632 2.027 1.00 0.58 H new ATOM 0 HZ1 LYS A 68 -9.363 4.802 3.615 1.00 1.02 H new ATOM 0 HZ2 LYS A 68 -9.949 4.204 2.137 1.00 1.02 H new ATOM 0 HZ3 LYS A 68 -9.718 3.150 3.448 1.00 1.02 H new ATOM 981 N ILE A 69 -3.048 1.514 0.905 1.00 0.24 N ATOM 982 CA ILE A 69 -2.066 1.277 1.958 1.00 0.21 C ATOM 983 C ILE A 69 -2.589 1.753 3.310 1.00 0.21 C ATOM 984 O ILE A 69 -3.232 2.799 3.404 1.00 0.29 O ATOM 985 CB ILE A 69 -0.732 1.993 1.656 1.00 0.23 C ATOM 986 CG1 ILE A 69 -0.200 1.580 0.279 1.00 0.26 C ATOM 987 CG2 ILE A 69 0.293 1.690 2.740 1.00 0.23 C ATOM 988 CD1 ILE A 69 0.081 0.097 0.147 1.00 0.28 C ATOM 0 H ILE A 69 -2.938 2.404 0.419 1.00 0.24 H new ATOM 0 HA ILE A 69 -1.892 0.202 1.994 1.00 0.21 H new ATOM 0 HB ILE A 69 -0.912 3.068 1.645 1.00 0.23 H new ATOM 0 HG12 ILE A 69 -0.925 1.871 -0.481 1.00 0.26 H new ATOM 0 HG13 ILE A 69 0.717 2.133 0.074 1.00 0.26 H new ATOM 0 HG21 ILE A 69 1.227 2.203 2.511 1.00 0.23 H new ATOM 0 HG22 ILE A 69 -0.083 2.035 3.703 1.00 0.23 H new ATOM 0 HG23 ILE A 69 0.470 0.615 2.783 1.00 0.23 H new ATOM 0 HD11 ILE A 69 0.454 -0.115 -0.855 1.00 0.28 H new ATOM 0 HD12 ILE A 69 0.829 -0.198 0.883 1.00 0.28 H new ATOM 0 HD13 ILE A 69 -0.838 -0.464 0.318 1.00 0.28 H new ATOM 1000 N LEU A 70 -2.309 0.978 4.354 1.00 0.19 N ATOM 1001 CA LEU A 70 -2.749 1.318 5.700 1.00 0.21 C ATOM 1002 C LEU A 70 -1.557 1.580 6.613 1.00 0.20 C ATOM 1003 O LEU A 70 -1.403 2.676 7.159 1.00 0.26 O ATOM 1004 CB LEU A 70 -3.607 0.192 6.280 1.00 0.25 C ATOM 1005 CG LEU A 70 -4.839 -0.181 5.452 1.00 0.32 C ATOM 1006 CD1 LEU A 70 -5.528 -1.403 6.041 1.00 0.40 C ATOM 1007 CD2 LEU A 70 -5.805 0.992 5.379 1.00 0.38 C ATOM 0 H LEU A 70 -1.778 0.109 4.292 1.00 0.19 H new ATOM 0 HA LEU A 70 -3.346 2.228 5.639 1.00 0.21 H new ATOM 0 HB2 LEU A 70 -2.984 -0.695 6.395 1.00 0.25 H new ATOM 0 HB3 LEU A 70 -3.934 0.483 7.278 1.00 0.25 H new ATOM 0 HG LEU A 70 -4.514 -0.424 4.440 1.00 0.32 H new ATOM 0 HD11 LEU A 70 -6.402 -1.653 5.439 1.00 0.40 H new ATOM 0 HD12 LEU A 70 -4.836 -2.245 6.044 1.00 0.40 H new ATOM 0 HD13 LEU A 70 -5.841 -1.187 7.063 1.00 0.40 H new ATOM 0 HD21 LEU A 70 -6.676 0.710 4.787 1.00 0.38 H new ATOM 0 HD22 LEU A 70 -6.123 1.264 6.385 1.00 0.38 H new ATOM 0 HD23 LEU A 70 -5.309 1.843 4.913 1.00 0.38 H new ATOM 1019 N ARG A 71 -0.713 0.567 6.779 1.00 0.20 N ATOM 1020 CA ARG A 71 0.462 0.690 7.632 1.00 0.25 C ATOM 1021 C ARG A 71 1.640 -0.099 7.068 1.00 0.18 C ATOM 1022 O ARG A 71 1.477 -1.215 6.577 1.00 0.26 O ATOM 1023 CB ARG A 71 0.143 0.202 9.047 1.00 0.38 C ATOM 1024 CG ARG A 71 -1.002 0.952 9.709 1.00 0.91 C ATOM 1025 CD ARG A 71 -1.294 0.409 11.098 1.00 0.77 C ATOM 1026 NE ARG A 71 -2.479 1.025 11.689 1.00 1.38 N ATOM 1027 CZ ARG A 71 -2.687 1.116 12.998 1.00 1.65 C ATOM 1028 NH1 ARG A 71 -1.786 0.649 13.851 1.00 1.17 N ATOM 1029 NH2 ARG A 71 -3.797 1.680 13.455 1.00 2.61 N ATOM 0 H ARG A 71 -0.821 -0.345 6.335 1.00 0.20 H new ATOM 0 HA ARG A 71 0.740 1.743 7.667 1.00 0.25 H new ATOM 0 HB2 ARG A 71 -0.103 -0.859 9.009 1.00 0.38 H new ATOM 0 HB3 ARG A 71 1.035 0.300 9.665 1.00 0.38 H new ATOM 0 HG2 ARG A 71 -0.754 2.011 9.776 1.00 0.91 H new ATOM 0 HG3 ARG A 71 -1.896 0.872 9.091 1.00 0.91 H new ATOM 0 HD2 ARG A 71 -1.436 -0.670 11.043 1.00 0.77 H new ATOM 0 HD3 ARG A 71 -0.434 0.585 11.744 1.00 0.77 H new ATOM 0 HE ARG A 71 -3.187 1.407 11.061 1.00 1.38 H new ATOM 0 HH11 ARG A 71 -0.930 0.218 13.503 1.00 1.17 H new ATOM 0 HH12 ARG A 71 -1.949 0.721 14.855 1.00 1.17 H new ATOM 0 HH21 ARG A 71 -4.491 2.044 12.802 1.00 2.61 H new ATOM 0 HH22 ARG A 71 -3.957 1.750 14.460 1.00 2.61 H new ATOM 1043 N VAL A 72 2.824 0.496 7.137 1.00 0.21 N ATOM 1044 CA VAL A 72 4.039 -0.147 6.651 1.00 0.17 C ATOM 1045 C VAL A 72 4.742 -0.869 7.800 1.00 0.17 C ATOM 1046 O VAL A 72 4.311 -0.770 8.947 1.00 0.20 O ATOM 1047 CB VAL A 72 4.998 0.886 6.017 1.00 0.20 C ATOM 1048 CG1 VAL A 72 6.073 0.202 5.184 1.00 0.22 C ATOM 1049 CG2 VAL A 72 4.221 1.885 5.173 1.00 0.28 C ATOM 0 H VAL A 72 2.969 1.427 7.527 1.00 0.21 H new ATOM 0 HA VAL A 72 3.758 -0.870 5.885 1.00 0.17 H new ATOM 0 HB VAL A 72 5.494 1.424 6.825 1.00 0.20 H new ATOM 0 HG11 VAL A 72 6.732 0.955 4.751 1.00 0.22 H new ATOM 0 HG12 VAL A 72 6.654 -0.467 5.818 1.00 0.22 H new ATOM 0 HG13 VAL A 72 5.604 -0.372 4.385 1.00 0.22 H new ATOM 0 HG21 VAL A 72 4.911 2.605 4.734 1.00 0.28 H new ATOM 0 HG22 VAL A 72 3.693 1.357 4.378 1.00 0.28 H new ATOM 0 HG23 VAL A 72 3.501 2.409 5.801 1.00 0.28 H new ATOM 1059 N ASP A 73 5.801 -1.611 7.490 1.00 0.18 N ATOM 1060 CA ASP A 73 6.557 -2.335 8.509 1.00 0.21 C ATOM 1061 C ASP A 73 6.881 -1.442 9.707 1.00 0.22 C ATOM 1062 O ASP A 73 7.712 -0.538 9.611 1.00 0.23 O ATOM 1063 CB ASP A 73 7.855 -2.876 7.910 1.00 0.26 C ATOM 1064 CG ASP A 73 8.563 -3.843 8.836 1.00 0.47 C ATOM 1065 OD1 ASP A 73 8.189 -5.035 8.850 1.00 0.79 O ATOM 1066 OD2 ASP A 73 9.495 -3.410 9.547 1.00 0.56 O ATOM 0 H ASP A 73 6.156 -1.727 6.541 1.00 0.18 H new ATOM 0 HA ASP A 73 5.938 -3.162 8.857 1.00 0.21 H new ATOM 0 HB2 ASP A 73 7.635 -3.376 6.967 1.00 0.26 H new ATOM 0 HB3 ASP A 73 8.521 -2.044 7.682 1.00 0.26 H new ATOM 1071 N ASP A 74 6.220 -1.706 10.833 1.00 0.25 N ATOM 1072 CA ASP A 74 6.437 -0.938 12.058 1.00 0.29 C ATOM 1073 C ASP A 74 6.239 0.560 11.823 1.00 0.25 C ATOM 1074 O ASP A 74 6.846 1.391 12.499 1.00 0.29 O ATOM 1075 CB ASP A 74 7.842 -1.202 12.605 1.00 0.35 C ATOM 1076 CG ASP A 74 8.065 -2.664 12.938 1.00 1.20 C ATOM 1077 OD1 ASP A 74 8.492 -3.419 12.039 1.00 2.01 O ATOM 1078 OD2 ASP A 74 7.814 -3.055 14.097 1.00 1.34 O ATOM 0 H ASP A 74 5.527 -2.449 10.922 1.00 0.25 H new ATOM 0 HA ASP A 74 5.698 -1.263 12.790 1.00 0.29 H new ATOM 0 HB2 ASP A 74 8.581 -0.882 11.871 1.00 0.35 H new ATOM 0 HB3 ASP A 74 8.000 -0.600 13.500 1.00 0.35 H new ATOM 1083 N VAL A 75 5.380 0.892 10.864 1.00 0.27 N ATOM 1084 CA VAL A 75 5.090 2.284 10.528 1.00 0.27 C ATOM 1085 C VAL A 75 3.629 2.444 10.112 1.00 0.37 C ATOM 1086 O VAL A 75 3.018 1.510 9.593 1.00 0.79 O ATOM 1087 CB VAL A 75 6.000 2.789 9.384 1.00 0.36 C ATOM 1088 CG1 VAL A 75 5.651 4.221 9.003 1.00 0.40 C ATOM 1089 CG2 VAL A 75 7.466 2.684 9.774 1.00 0.41 C ATOM 0 H VAL A 75 4.869 0.211 10.302 1.00 0.27 H new ATOM 0 HA VAL A 75 5.284 2.879 11.420 1.00 0.27 H new ATOM 0 HB VAL A 75 5.829 2.154 8.515 1.00 0.36 H new ATOM 0 HG11 VAL A 75 6.305 4.553 8.197 1.00 0.40 H new ATOM 0 HG12 VAL A 75 4.614 4.267 8.671 1.00 0.40 H new ATOM 0 HG13 VAL A 75 5.784 4.870 9.868 1.00 0.40 H new ATOM 0 HG21 VAL A 75 8.087 3.045 8.954 1.00 0.41 H new ATOM 0 HG22 VAL A 75 7.650 3.288 10.662 1.00 0.41 H new ATOM 0 HG23 VAL A 75 7.713 1.644 9.986 1.00 0.41 H new ATOM 1099 N ASN A 76 3.071 3.628 10.349 1.00 0.30 N ATOM 1100 CA ASN A 76 1.685 3.907 9.991 1.00 0.37 C ATOM 1101 C ASN A 76 1.603 5.079 9.019 1.00 0.42 C ATOM 1102 O ASN A 76 2.177 6.140 9.264 1.00 0.58 O ATOM 1103 CB ASN A 76 0.863 4.210 11.246 1.00 0.46 C ATOM 1104 CG ASN A 76 1.500 5.283 12.107 1.00 1.35 C ATOM 1105 OD1 ASN A 76 2.294 4.989 13.000 1.00 2.24 O ATOM 1106 ND2 ASN A 76 1.152 6.537 11.843 1.00 2.08 N ATOM 0 H ASN A 76 3.558 4.409 10.788 1.00 0.30 H new ATOM 0 HA ASN A 76 1.275 3.023 9.503 1.00 0.37 H new ATOM 0 HB2 ASN A 76 -0.138 4.529 10.954 1.00 0.46 H new ATOM 0 HB3 ASN A 76 0.749 3.298 11.832 1.00 0.46 H new ATOM 0 HD21 ASN A 76 1.547 7.302 12.390 1.00 2.08 H new ATOM 0 HD22 ASN A 76 0.490 6.735 11.093 1.00 2.08 H new ATOM 1113 N VAL A 77 0.884 4.886 7.914 1.00 0.35 N ATOM 1114 CA VAL A 77 0.738 5.935 6.911 1.00 0.43 C ATOM 1115 C VAL A 77 -0.663 6.534 6.934 1.00 0.53 C ATOM 1116 O VAL A 77 -1.127 7.091 5.939 1.00 0.67 O ATOM 1117 CB VAL A 77 1.037 5.409 5.492 1.00 0.47 C ATOM 1118 CG1 VAL A 77 2.472 4.915 5.395 1.00 0.45 C ATOM 1119 CG2 VAL A 77 0.061 4.308 5.109 1.00 0.53 C ATOM 0 H VAL A 77 0.397 4.018 7.693 1.00 0.35 H new ATOM 0 HA VAL A 77 1.463 6.709 7.163 1.00 0.43 H new ATOM 0 HB VAL A 77 0.912 6.233 4.789 1.00 0.47 H new ATOM 0 HG11 VAL A 77 2.663 4.548 4.387 1.00 0.45 H new ATOM 0 HG12 VAL A 77 3.155 5.735 5.618 1.00 0.45 H new ATOM 0 HG13 VAL A 77 2.628 4.108 6.110 1.00 0.45 H new ATOM 0 HG21 VAL A 77 0.290 3.952 4.105 1.00 0.53 H new ATOM 0 HG22 VAL A 77 0.148 3.483 5.816 1.00 0.53 H new ATOM 0 HG23 VAL A 77 -0.956 4.699 5.132 1.00 0.53 H new ATOM 1129 N GLN A 78 -1.334 6.419 8.076 1.00 0.59 N ATOM 1130 CA GLN A 78 -2.682 6.955 8.225 1.00 0.72 C ATOM 1131 C GLN A 78 -2.645 8.333 8.879 1.00 0.61 C ATOM 1132 O GLN A 78 -3.502 8.666 9.698 1.00 0.80 O ATOM 1133 CB GLN A 78 -3.547 6.002 9.052 1.00 0.93 C ATOM 1134 CG GLN A 78 -3.672 4.612 8.450 1.00 0.62 C ATOM 1135 CD GLN A 78 -4.277 4.630 7.060 1.00 0.53 C ATOM 1136 OE1 GLN A 78 -3.564 4.741 6.061 1.00 1.39 O ATOM 1137 NE2 GLN A 78 -5.598 4.518 6.987 1.00 1.05 N ATOM 0 H GLN A 78 -0.967 5.960 8.910 1.00 0.59 H new ATOM 0 HA GLN A 78 -3.121 7.055 7.232 1.00 0.72 H new ATOM 0 HB2 GLN A 78 -3.124 5.918 10.053 1.00 0.93 H new ATOM 0 HB3 GLN A 78 -4.543 6.432 9.162 1.00 0.93 H new ATOM 0 HG2 GLN A 78 -2.686 4.149 8.407 1.00 0.62 H new ATOM 0 HG3 GLN A 78 -4.287 3.992 9.102 1.00 0.62 H new ATOM 0 HE21 GLN A 78 -6.150 4.428 7.840 1.00 1.05 H new ATOM 0 HE22 GLN A 78 -6.061 4.522 6.078 1.00 1.05 H new ATOM 1146 N GLY A 79 -1.645 9.129 8.512 1.00 0.48 N ATOM 1147 CA GLY A 79 -1.515 10.462 9.071 1.00 0.48 C ATOM 1148 C GLY A 79 -0.260 11.175 8.603 1.00 0.41 C ATOM 1149 O GLY A 79 0.281 12.023 9.314 1.00 0.55 O ATOM 0 H GLY A 79 -0.923 8.875 7.838 1.00 0.48 H new ATOM 0 HA2 GLY A 79 -2.388 11.054 8.795 1.00 0.48 H new ATOM 0 HA3 GLY A 79 -1.506 10.396 10.159 1.00 0.48 H new ATOM 1153 N MET A 80 0.208 10.831 7.406 1.00 0.32 N ATOM 1154 CA MET A 80 1.407 11.449 6.849 1.00 0.33 C ATOM 1155 C MET A 80 1.176 11.886 5.406 1.00 0.30 C ATOM 1156 O MET A 80 0.505 11.198 4.636 1.00 0.34 O ATOM 1157 CB MET A 80 2.587 10.478 6.914 1.00 0.39 C ATOM 1158 CG MET A 80 2.934 10.036 8.327 1.00 0.46 C ATOM 1159 SD MET A 80 4.483 9.118 8.406 1.00 0.52 S ATOM 1160 CE MET A 80 4.143 7.779 7.267 1.00 0.48 C ATOM 0 H MET A 80 -0.224 10.129 6.805 1.00 0.32 H new ATOM 0 HA MET A 80 1.637 12.332 7.446 1.00 0.33 H new ATOM 0 HB2 MET A 80 2.356 9.598 6.313 1.00 0.39 H new ATOM 0 HB3 MET A 80 3.461 10.950 6.465 1.00 0.39 H new ATOM 0 HG2 MET A 80 3.002 10.913 8.971 1.00 0.46 H new ATOM 0 HG3 MET A 80 2.128 9.415 8.718 1.00 0.46 H new ATOM 0 HE1 MET A 80 4.323 6.825 7.763 1.00 0.48 H new ATOM 0 HE2 MET A 80 3.103 7.830 6.945 1.00 0.48 H new ATOM 0 HE3 MET A 80 4.796 7.865 6.399 1.00 0.48 H new ATOM 1170 N ALA A 81 1.739 13.038 5.048 1.00 0.29 N ATOM 1171 CA ALA A 81 1.599 13.572 3.698 1.00 0.31 C ATOM 1172 C ALA A 81 2.361 12.717 2.693 1.00 0.26 C ATOM 1173 O ALA A 81 3.242 11.944 3.068 1.00 0.23 O ATOM 1174 CB ALA A 81 2.085 15.013 3.647 1.00 0.39 C ATOM 0 H ALA A 81 2.296 13.618 5.675 1.00 0.29 H new ATOM 0 HA ALA A 81 0.543 13.549 3.430 1.00 0.31 H new ATOM 0 HB1 ALA A 81 1.975 15.399 2.633 1.00 0.39 H new ATOM 0 HB2 ALA A 81 1.494 15.621 4.333 1.00 0.39 H new ATOM 0 HB3 ALA A 81 3.135 15.054 3.938 1.00 0.39 H new ATOM 1180 N GLN A 82 2.018 12.866 1.415 1.00 0.33 N ATOM 1181 CA GLN A 82 2.660 12.103 0.345 1.00 0.35 C ATOM 1182 C GLN A 82 4.180 12.086 0.499 1.00 0.31 C ATOM 1183 O GLN A 82 4.792 11.021 0.578 1.00 0.31 O ATOM 1184 CB GLN A 82 2.286 12.689 -1.018 1.00 0.42 C ATOM 1185 CG GLN A 82 2.975 12.001 -2.187 1.00 0.51 C ATOM 1186 CD GLN A 82 2.684 12.671 -3.515 1.00 0.76 C ATOM 1187 OE1 GLN A 82 3.406 13.574 -3.939 1.00 1.52 O ATOM 1188 NE2 GLN A 82 1.623 12.230 -4.182 1.00 0.74 N ATOM 0 H GLN A 82 1.296 13.511 1.094 1.00 0.33 H new ATOM 0 HA GLN A 82 2.302 11.076 0.412 1.00 0.35 H new ATOM 0 HB2 GLN A 82 1.206 12.618 -1.151 1.00 0.42 H new ATOM 0 HB3 GLN A 82 2.540 13.749 -1.030 1.00 0.42 H new ATOM 0 HG2 GLN A 82 4.052 11.995 -2.016 1.00 0.51 H new ATOM 0 HG3 GLN A 82 2.653 10.961 -2.232 1.00 0.51 H new ATOM 0 HE21 GLN A 82 1.052 11.479 -3.793 1.00 0.74 H new ATOM 0 HE22 GLN A 82 1.379 12.642 -5.083 1.00 0.74 H new ATOM 1197 N SER A 83 4.779 13.273 0.540 1.00 0.32 N ATOM 1198 CA SER A 83 6.227 13.402 0.674 1.00 0.35 C ATOM 1199 C SER A 83 6.759 12.569 1.836 1.00 0.30 C ATOM 1200 O SER A 83 7.781 11.895 1.710 1.00 0.35 O ATOM 1201 CB SER A 83 6.611 14.871 0.871 1.00 0.44 C ATOM 1202 OG SER A 83 6.179 15.662 -0.223 1.00 1.48 O ATOM 0 H SER A 83 4.282 14.162 0.482 1.00 0.32 H new ATOM 0 HA SER A 83 6.678 13.028 -0.245 1.00 0.35 H new ATOM 0 HB2 SER A 83 6.166 15.246 1.793 1.00 0.44 H new ATOM 0 HB3 SER A 83 7.692 14.956 0.981 1.00 0.44 H new ATOM 0 HG SER A 83 6.435 16.596 -0.072 1.00 1.48 H new ATOM 1208 N ASP A 84 6.058 12.615 2.965 1.00 0.24 N ATOM 1209 CA ASP A 84 6.466 11.867 4.150 1.00 0.24 C ATOM 1210 C ASP A 84 6.425 10.362 3.902 1.00 0.20 C ATOM 1211 O ASP A 84 7.334 9.636 4.305 1.00 0.24 O ATOM 1212 CB ASP A 84 5.571 12.226 5.336 1.00 0.27 C ATOM 1213 CG ASP A 84 5.705 13.681 5.740 1.00 1.03 C ATOM 1214 OD1 ASP A 84 6.617 13.995 6.533 1.00 0.97 O ATOM 1215 OD2 ASP A 84 4.898 14.506 5.261 1.00 2.12 O ATOM 0 H ASP A 84 5.205 13.162 3.084 1.00 0.24 H new ATOM 0 HA ASP A 84 7.495 12.143 4.379 1.00 0.24 H new ATOM 0 HB2 ASP A 84 4.532 12.017 5.081 1.00 0.27 H new ATOM 0 HB3 ASP A 84 5.825 11.591 6.185 1.00 0.27 H new ATOM 1220 N VAL A 85 5.367 9.895 3.240 1.00 0.19 N ATOM 1221 CA VAL A 85 5.219 8.475 2.946 1.00 0.22 C ATOM 1222 C VAL A 85 6.385 7.967 2.103 1.00 0.21 C ATOM 1223 O VAL A 85 6.871 6.853 2.303 1.00 0.24 O ATOM 1224 CB VAL A 85 3.897 8.181 2.209 1.00 0.27 C ATOM 1225 CG1 VAL A 85 3.704 6.683 2.029 1.00 0.32 C ATOM 1226 CG2 VAL A 85 2.720 8.784 2.959 1.00 0.30 C ATOM 0 H VAL A 85 4.603 10.479 2.899 1.00 0.19 H new ATOM 0 HA VAL A 85 5.209 7.954 3.904 1.00 0.22 H new ATOM 0 HB VAL A 85 3.947 8.641 1.222 1.00 0.27 H new ATOM 0 HG11 VAL A 85 2.765 6.497 1.507 1.00 0.32 H new ATOM 0 HG12 VAL A 85 4.530 6.277 1.445 1.00 0.32 H new ATOM 0 HG13 VAL A 85 3.678 6.200 3.006 1.00 0.32 H new ATOM 0 HG21 VAL A 85 1.796 8.566 2.423 1.00 0.30 H new ATOM 0 HG22 VAL A 85 2.668 8.356 3.960 1.00 0.30 H new ATOM 0 HG23 VAL A 85 2.850 9.864 3.033 1.00 0.30 H new ATOM 1236 N VAL A 86 6.830 8.794 1.160 1.00 0.22 N ATOM 1237 CA VAL A 86 7.942 8.431 0.289 1.00 0.25 C ATOM 1238 C VAL A 86 9.242 8.322 1.080 1.00 0.24 C ATOM 1239 O VAL A 86 10.078 7.463 0.801 1.00 0.26 O ATOM 1240 CB VAL A 86 8.126 9.459 -0.845 1.00 0.30 C ATOM 1241 CG1 VAL A 86 9.253 9.039 -1.777 1.00 0.37 C ATOM 1242 CG2 VAL A 86 6.827 9.638 -1.617 1.00 0.34 C ATOM 0 H VAL A 86 6.438 9.718 0.981 1.00 0.22 H new ATOM 0 HA VAL A 86 7.702 7.461 -0.147 1.00 0.25 H new ATOM 0 HB VAL A 86 8.396 10.416 -0.399 1.00 0.30 H new ATOM 0 HG11 VAL A 86 9.365 9.779 -2.569 1.00 0.37 H new ATOM 0 HG12 VAL A 86 10.183 8.967 -1.214 1.00 0.37 H new ATOM 0 HG13 VAL A 86 9.019 8.069 -2.217 1.00 0.37 H new ATOM 0 HG21 VAL A 86 6.975 10.367 -2.414 1.00 0.34 H new ATOM 0 HG22 VAL A 86 6.526 8.684 -2.050 1.00 0.34 H new ATOM 0 HG23 VAL A 86 6.048 9.992 -0.941 1.00 0.34 H new ATOM 1252 N GLU A 87 9.404 9.198 2.068 1.00 0.25 N ATOM 1253 CA GLU A 87 10.601 9.199 2.903 1.00 0.26 C ATOM 1254 C GLU A 87 10.755 7.865 3.627 1.00 0.24 C ATOM 1255 O GLU A 87 11.826 7.260 3.611 1.00 0.26 O ATOM 1256 CB GLU A 87 10.548 10.343 3.918 1.00 0.32 C ATOM 1257 CG GLU A 87 10.623 11.723 3.284 1.00 0.75 C ATOM 1258 CD GLU A 87 10.564 12.840 4.309 1.00 1.04 C ATOM 1259 OE1 GLU A 87 11.632 13.218 4.836 1.00 1.19 O ATOM 1260 OE2 GLU A 87 9.451 13.334 4.585 1.00 1.51 O ATOM 0 H GLU A 87 8.721 9.916 2.310 1.00 0.25 H new ATOM 0 HA GLU A 87 11.465 9.345 2.255 1.00 0.26 H new ATOM 0 HB2 GLU A 87 9.625 10.266 4.492 1.00 0.32 H new ATOM 0 HB3 GLU A 87 11.372 10.231 4.623 1.00 0.32 H new ATOM 0 HG2 GLU A 87 11.548 11.807 2.714 1.00 0.75 H new ATOM 0 HG3 GLU A 87 9.801 11.839 2.578 1.00 0.75 H new ATOM 1267 N VAL A 88 9.675 7.415 4.260 1.00 0.22 N ATOM 1268 CA VAL A 88 9.682 6.150 4.989 1.00 0.22 C ATOM 1269 C VAL A 88 10.091 4.992 4.084 1.00 0.23 C ATOM 1270 O VAL A 88 11.012 4.237 4.403 1.00 0.25 O ATOM 1271 CB VAL A 88 8.296 5.846 5.595 1.00 0.24 C ATOM 1272 CG1 VAL A 88 8.247 4.427 6.142 1.00 0.26 C ATOM 1273 CG2 VAL A 88 7.958 6.857 6.681 1.00 0.27 C ATOM 0 H VAL A 88 8.783 7.908 4.283 1.00 0.22 H new ATOM 0 HA VAL A 88 10.411 6.253 5.793 1.00 0.22 H new ATOM 0 HB VAL A 88 7.549 5.929 4.806 1.00 0.24 H new ATOM 0 HG11 VAL A 88 7.261 4.234 6.565 1.00 0.26 H new ATOM 0 HG12 VAL A 88 8.441 3.719 5.336 1.00 0.26 H new ATOM 0 HG13 VAL A 88 9.004 4.310 6.918 1.00 0.26 H new ATOM 0 HG21 VAL A 88 6.977 6.629 7.098 1.00 0.27 H new ATOM 0 HG22 VAL A 88 8.708 6.808 7.470 1.00 0.27 H new ATOM 0 HG23 VAL A 88 7.946 7.860 6.254 1.00 0.27 H new ATOM 1283 N LEU A 89 9.399 4.858 2.959 1.00 0.24 N ATOM 1284 CA LEU A 89 9.682 3.789 2.011 1.00 0.28 C ATOM 1285 C LEU A 89 11.154 3.783 1.606 1.00 0.32 C ATOM 1286 O LEU A 89 11.729 2.728 1.342 1.00 0.39 O ATOM 1287 CB LEU A 89 8.800 3.936 0.768 1.00 0.32 C ATOM 1288 CG LEU A 89 7.292 3.919 1.032 1.00 0.34 C ATOM 1289 CD1 LEU A 89 6.524 4.217 -0.246 1.00 0.41 C ATOM 1290 CD2 LEU A 89 6.866 2.577 1.609 1.00 0.35 C ATOM 0 H LEU A 89 8.637 5.477 2.681 1.00 0.24 H new ATOM 0 HA LEU A 89 9.459 2.841 2.500 1.00 0.28 H new ATOM 0 HB2 LEU A 89 9.055 4.872 0.270 1.00 0.32 H new ATOM 0 HB3 LEU A 89 9.040 3.130 0.074 1.00 0.32 H new ATOM 0 HG LEU A 89 7.062 4.696 1.761 1.00 0.34 H new ATOM 0 HD11 LEU A 89 5.454 4.201 -0.040 1.00 0.41 H new ATOM 0 HD12 LEU A 89 6.807 5.201 -0.619 1.00 0.41 H new ATOM 0 HD13 LEU A 89 6.760 3.463 -0.997 1.00 0.41 H new ATOM 0 HD21 LEU A 89 5.791 2.584 1.790 1.00 0.35 H new ATOM 0 HD22 LEU A 89 7.110 1.783 0.903 1.00 0.35 H new ATOM 0 HD23 LEU A 89 7.391 2.401 2.548 1.00 0.35 H new ATOM 1302 N ARG A 90 11.757 4.969 1.560 1.00 0.31 N ATOM 1303 CA ARG A 90 13.162 5.098 1.187 1.00 0.37 C ATOM 1304 C ARG A 90 14.075 4.805 2.374 1.00 0.37 C ATOM 1305 O ARG A 90 15.235 4.429 2.199 1.00 0.48 O ATOM 1306 CB ARG A 90 13.444 6.502 0.645 1.00 0.41 C ATOM 1307 CG ARG A 90 12.800 6.775 -0.705 1.00 0.49 C ATOM 1308 CD ARG A 90 13.164 8.156 -1.227 1.00 0.72 C ATOM 1309 NE ARG A 90 12.677 9.218 -0.350 1.00 1.00 N ATOM 1310 CZ ARG A 90 12.807 10.515 -0.617 1.00 1.59 C ATOM 1311 NH1 ARG A 90 13.398 10.911 -1.737 1.00 1.82 N ATOM 1312 NH2 ARG A 90 12.342 11.418 0.236 1.00 2.10 N ATOM 0 H ARG A 90 11.295 5.852 1.776 1.00 0.31 H new ATOM 0 HA ARG A 90 13.369 4.366 0.406 1.00 0.37 H new ATOM 0 HB2 ARG A 90 13.086 7.239 1.364 1.00 0.41 H new ATOM 0 HB3 ARG A 90 14.522 6.639 0.558 1.00 0.41 H new ATOM 0 HG2 ARG A 90 13.120 6.018 -1.421 1.00 0.49 H new ATOM 0 HG3 ARG A 90 11.717 6.692 -0.616 1.00 0.49 H new ATOM 0 HD2 ARG A 90 14.247 8.233 -1.323 1.00 0.72 H new ATOM 0 HD3 ARG A 90 12.745 8.289 -2.224 1.00 0.72 H new ATOM 0 HE ARG A 90 12.211 8.950 0.517 1.00 1.00 H new ATOM 0 HH11 ARG A 90 13.755 10.220 -2.397 1.00 1.82 H new ATOM 0 HH12 ARG A 90 13.496 11.906 -1.938 1.00 1.82 H new ATOM 0 HH21 ARG A 90 11.885 11.118 1.097 1.00 2.10 H new ATOM 0 HH22 ARG A 90 12.442 12.412 0.031 1.00 2.10 H new ATOM 1326 N ASN A 91 13.545 4.978 3.581 1.00 0.32 N ATOM 1327 CA ASN A 91 14.313 4.729 4.796 1.00 0.36 C ATOM 1328 C ASN A 91 14.394 3.234 5.090 1.00 0.36 C ATOM 1329 O ASN A 91 15.245 2.788 5.859 1.00 0.42 O ATOM 1330 CB ASN A 91 13.684 5.459 5.985 1.00 0.38 C ATOM 1331 CG ASN A 91 13.690 6.965 5.811 1.00 0.44 C ATOM 1332 OD1 ASN A 91 14.580 7.523 5.170 1.00 1.11 O ATOM 1333 ND2 ASN A 91 12.693 7.631 6.383 1.00 1.14 N ATOM 0 H ASN A 91 12.587 5.289 3.744 1.00 0.32 H new ATOM 0 HA ASN A 91 15.323 5.108 4.640 1.00 0.36 H new ATOM 0 HB2 ASN A 91 12.658 5.116 6.116 1.00 0.38 H new ATOM 0 HB3 ASN A 91 14.226 5.199 6.894 1.00 0.38 H new ATOM 0 HD21 ASN A 91 12.644 8.646 6.300 1.00 1.14 H new ATOM 0 HD22 ASN A 91 11.976 7.127 6.905 1.00 1.14 H new ATOM 1340 N ALA A 92 13.499 2.467 4.473 1.00 0.32 N ATOM 1341 CA ALA A 92 13.464 1.021 4.665 1.00 0.34 C ATOM 1342 C ALA A 92 14.781 0.369 4.246 1.00 0.46 C ATOM 1343 O ALA A 92 15.692 0.216 5.061 1.00 0.55 O ATOM 1344 CB ALA A 92 12.302 0.414 3.894 1.00 0.32 C ATOM 0 H ALA A 92 12.788 2.824 3.835 1.00 0.32 H new ATOM 0 HA ALA A 92 13.322 0.828 5.728 1.00 0.34 H new ATOM 0 HB1 ALA A 92 12.288 -0.665 4.047 1.00 0.32 H new ATOM 0 HB2 ALA A 92 11.365 0.843 4.250 1.00 0.32 H new ATOM 0 HB3 ALA A 92 12.418 0.629 2.832 1.00 0.32 H new ATOM 1350 N GLY A 93 14.878 -0.015 2.974 1.00 0.53 N ATOM 1351 CA GLY A 93 16.090 -0.647 2.480 1.00 0.68 C ATOM 1352 C GLY A 93 16.406 -1.940 3.207 1.00 0.66 C ATOM 1353 O GLY A 93 17.552 -2.389 3.223 1.00 0.76 O ATOM 0 H GLY A 93 14.140 0.100 2.279 1.00 0.53 H new ATOM 0 HA2 GLY A 93 15.982 -0.850 1.414 1.00 0.68 H new ATOM 0 HA3 GLY A 93 16.927 0.043 2.590 1.00 0.68 H new ATOM 1357 N ASN A 94 15.385 -2.533 3.815 1.00 0.54 N ATOM 1358 CA ASN A 94 15.545 -3.780 4.558 1.00 0.54 C ATOM 1359 C ASN A 94 14.278 -4.634 4.450 1.00 0.43 C ATOM 1360 O ASN A 94 13.295 -4.201 3.849 1.00 0.39 O ATOM 1361 CB ASN A 94 15.860 -3.462 6.025 1.00 0.59 C ATOM 1362 CG ASN A 94 17.225 -3.967 6.453 1.00 1.57 C ATOM 1363 OD1 ASN A 94 18.137 -4.107 5.496 1.00 1.93 O flip ATOM 1364 ND2 ASN A 94 17.457 -4.234 7.632 1.00 2.52 N flip ATOM 0 H ASN A 94 14.432 -2.169 3.808 1.00 0.54 H new ATOM 0 HA ASN A 94 16.371 -4.349 4.132 1.00 0.54 H new ATOM 0 HB2 ASN A 94 15.812 -2.384 6.177 1.00 0.59 H new ATOM 0 HB3 ASN A 94 15.096 -3.908 6.662 1.00 0.59 H new ATOM 0 HD21 ASN A 94 16.728 -4.112 8.335 1.00 2.52 H new ATOM 0 HD22 ASN A 94 18.378 -4.577 7.906 1.00 2.52 H new ATOM 1371 N PRO A 95 14.286 -5.875 4.990 1.00 0.41 N ATOM 1372 CA PRO A 95 13.103 -6.743 4.963 1.00 0.35 C ATOM 1373 C PRO A 95 11.915 -6.097 5.669 1.00 0.32 C ATOM 1374 O PRO A 95 11.802 -6.154 6.894 1.00 0.45 O ATOM 1375 CB PRO A 95 13.552 -8.001 5.714 1.00 0.44 C ATOM 1376 CG PRO A 95 15.039 -7.990 5.626 1.00 0.64 C ATOM 1377 CD PRO A 95 15.440 -6.543 5.623 1.00 0.51 C ATOM 0 HA PRO A 95 12.768 -6.946 3.946 1.00 0.35 H new ATOM 0 HB2 PRO A 95 13.218 -7.982 6.751 1.00 0.44 H new ATOM 0 HB3 PRO A 95 13.136 -8.901 5.261 1.00 0.44 H new ATOM 0 HG2 PRO A 95 15.484 -8.517 6.470 1.00 0.64 H new ATOM 0 HG3 PRO A 95 15.381 -8.492 4.721 1.00 0.64 H new ATOM 0 HD2 PRO A 95 15.616 -6.172 6.633 1.00 0.51 H new ATOM 0 HD3 PRO A 95 16.358 -6.381 5.059 1.00 0.51 H new ATOM 1385 N VAL A 96 11.030 -5.480 4.889 1.00 0.28 N ATOM 1386 CA VAL A 96 9.860 -4.809 5.444 1.00 0.33 C ATOM 1387 C VAL A 96 8.560 -5.487 5.019 1.00 0.28 C ATOM 1388 O VAL A 96 8.479 -6.095 3.953 1.00 0.30 O ATOM 1389 CB VAL A 96 9.814 -3.330 5.014 1.00 0.41 C ATOM 1390 CG1 VAL A 96 10.995 -2.567 5.596 1.00 0.64 C ATOM 1391 CG2 VAL A 96 9.794 -3.214 3.497 1.00 0.38 C ATOM 0 H VAL A 96 11.102 -5.432 3.873 1.00 0.28 H new ATOM 0 HA VAL A 96 9.952 -4.873 6.528 1.00 0.33 H new ATOM 0 HB VAL A 96 8.897 -2.888 5.402 1.00 0.41 H new ATOM 0 HG11 VAL A 96 10.945 -1.525 5.281 1.00 0.64 H new ATOM 0 HG12 VAL A 96 10.962 -2.620 6.684 1.00 0.64 H new ATOM 0 HG13 VAL A 96 11.925 -3.010 5.240 1.00 0.64 H new ATOM 0 HG21 VAL A 96 9.761 -2.162 3.213 1.00 0.38 H new ATOM 0 HG22 VAL A 96 10.692 -3.674 3.085 1.00 0.38 H new ATOM 0 HG23 VAL A 96 8.914 -3.723 3.105 1.00 0.38 H new ATOM 1401 N ARG A 97 7.544 -5.369 5.869 1.00 0.24 N ATOM 1402 CA ARG A 97 6.236 -5.950 5.605 1.00 0.22 C ATOM 1403 C ARG A 97 5.269 -4.870 5.134 1.00 0.18 C ATOM 1404 O ARG A 97 5.341 -3.722 5.581 1.00 0.18 O ATOM 1405 CB ARG A 97 5.696 -6.630 6.865 1.00 0.27 C ATOM 1406 CG ARG A 97 4.314 -7.240 6.692 1.00 0.69 C ATOM 1407 CD ARG A 97 3.830 -7.883 7.981 1.00 0.71 C ATOM 1408 NE ARG A 97 2.469 -8.399 7.859 1.00 1.21 N ATOM 1409 CZ ARG A 97 1.722 -8.761 8.899 1.00 1.38 C ATOM 1410 NH1 ARG A 97 2.203 -8.661 10.132 1.00 0.88 N ATOM 1411 NH2 ARG A 97 0.495 -9.225 8.708 1.00 2.37 N ATOM 0 H ARG A 97 7.606 -4.870 6.756 1.00 0.24 H new ATOM 0 HA ARG A 97 6.336 -6.699 4.819 1.00 0.22 H new ATOM 0 HB2 ARG A 97 6.392 -7.412 7.171 1.00 0.27 H new ATOM 0 HB3 ARG A 97 5.661 -5.900 7.674 1.00 0.27 H new ATOM 0 HG2 ARG A 97 3.610 -6.468 6.381 1.00 0.69 H new ATOM 0 HG3 ARG A 97 4.340 -7.986 5.898 1.00 0.69 H new ATOM 0 HD2 ARG A 97 4.502 -8.696 8.255 1.00 0.71 H new ATOM 0 HD3 ARG A 97 3.869 -7.151 8.788 1.00 0.71 H new ATOM 0 HE ARG A 97 2.069 -8.487 6.925 1.00 1.21 H new ATOM 0 HH11 ARG A 97 3.147 -8.306 10.284 1.00 0.88 H new ATOM 0 HH12 ARG A 97 1.629 -8.939 10.928 1.00 0.88 H new ATOM 0 HH21 ARG A 97 0.122 -9.305 7.762 1.00 2.37 H new ATOM 0 HH22 ARG A 97 -0.076 -9.502 9.507 1.00 2.37 H new ATOM 1425 N LEU A 98 4.370 -5.242 4.231 1.00 0.19 N ATOM 1426 CA LEU A 98 3.400 -4.300 3.693 1.00 0.18 C ATOM 1427 C LEU A 98 1.975 -4.688 4.078 1.00 0.18 C ATOM 1428 O LEU A 98 1.478 -5.743 3.680 1.00 0.30 O ATOM 1429 CB LEU A 98 3.519 -4.240 2.170 1.00 0.23 C ATOM 1430 CG LEU A 98 4.947 -4.172 1.624 1.00 0.25 C ATOM 1431 CD1 LEU A 98 4.934 -4.224 0.105 1.00 0.30 C ATOM 1432 CD2 LEU A 98 5.648 -2.911 2.103 1.00 0.37 C ATOM 0 H LEU A 98 4.293 -6.188 3.857 1.00 0.19 H new ATOM 0 HA LEU A 98 3.615 -3.320 4.118 1.00 0.18 H new ATOM 0 HB2 LEU A 98 3.029 -5.118 1.750 1.00 0.23 H new ATOM 0 HB3 LEU A 98 2.970 -3.368 1.814 1.00 0.23 H new ATOM 0 HG LEU A 98 5.499 -5.034 2.000 1.00 0.25 H new ATOM 0 HD11 LEU A 98 5.956 -4.175 -0.270 1.00 0.30 H new ATOM 0 HD12 LEU A 98 4.472 -5.155 -0.223 1.00 0.30 H new ATOM 0 HD13 LEU A 98 4.364 -3.380 -0.283 1.00 0.30 H new ATOM 0 HD21 LEU A 98 6.661 -2.884 1.703 1.00 0.37 H new ATOM 0 HD22 LEU A 98 5.098 -2.036 1.758 1.00 0.37 H new ATOM 0 HD23 LEU A 98 5.688 -2.908 3.192 1.00 0.37 H new ATOM 1444 N LEU A 99 1.322 -3.827 4.856 1.00 0.18 N ATOM 1445 CA LEU A 99 -0.051 -4.068 5.285 1.00 0.19 C ATOM 1446 C LEU A 99 -1.014 -3.185 4.496 1.00 0.19 C ATOM 1447 O LEU A 99 -1.174 -2.000 4.796 1.00 0.21 O ATOM 1448 CB LEU A 99 -0.199 -3.798 6.787 1.00 0.22 C ATOM 1449 CG LEU A 99 -1.615 -3.959 7.346 1.00 0.29 C ATOM 1450 CD1 LEU A 99 -2.074 -5.405 7.239 1.00 0.37 C ATOM 1451 CD2 LEU A 99 -1.670 -3.485 8.791 1.00 0.36 C ATOM 0 H LEU A 99 1.724 -2.955 5.202 1.00 0.18 H new ATOM 0 HA LEU A 99 -0.294 -5.113 5.093 1.00 0.19 H new ATOM 0 HB2 LEU A 99 0.466 -4.472 7.327 1.00 0.22 H new ATOM 0 HB3 LEU A 99 0.141 -2.783 6.992 1.00 0.22 H new ATOM 0 HG LEU A 99 -2.292 -3.343 6.753 1.00 0.29 H new ATOM 0 HD11 LEU A 99 -3.083 -5.497 7.642 1.00 0.37 H new ATOM 0 HD12 LEU A 99 -2.072 -5.711 6.193 1.00 0.37 H new ATOM 0 HD13 LEU A 99 -1.397 -6.044 7.806 1.00 0.37 H new ATOM 0 HD21 LEU A 99 -2.683 -3.605 9.175 1.00 0.36 H new ATOM 0 HD22 LEU A 99 -0.981 -4.076 9.394 1.00 0.36 H new ATOM 0 HD23 LEU A 99 -1.386 -2.434 8.840 1.00 0.36 H new ATOM 1463 N LEU A 100 -1.649 -3.768 3.482 1.00 0.22 N ATOM 1464 CA LEU A 100 -2.587 -3.032 2.644 1.00 0.23 C ATOM 1465 C LEU A 100 -3.910 -3.778 2.502 1.00 0.24 C ATOM 1466 O LEU A 100 -3.976 -4.990 2.703 1.00 0.30 O ATOM 1467 CB LEU A 100 -1.976 -2.776 1.261 1.00 0.25 C ATOM 1468 CG LEU A 100 -1.047 -3.877 0.734 1.00 0.25 C ATOM 1469 CD1 LEU A 100 -1.814 -5.168 0.490 1.00 0.27 C ATOM 1470 CD2 LEU A 100 -0.357 -3.419 -0.543 1.00 0.31 C ATOM 0 H LEU A 100 -1.530 -4.747 3.222 1.00 0.22 H new ATOM 0 HA LEU A 100 -2.789 -2.077 3.129 1.00 0.23 H new ATOM 0 HB2 LEU A 100 -2.786 -2.636 0.546 1.00 0.25 H new ATOM 0 HB3 LEU A 100 -1.418 -1.841 1.298 1.00 0.25 H new ATOM 0 HG LEU A 100 -0.289 -4.074 1.492 1.00 0.25 H new ATOM 0 HD11 LEU A 100 -1.132 -5.932 0.117 1.00 0.27 H new ATOM 0 HD12 LEU A 100 -2.262 -5.507 1.424 1.00 0.27 H new ATOM 0 HD13 LEU A 100 -2.599 -4.992 -0.246 1.00 0.27 H new ATOM 0 HD21 LEU A 100 0.299 -4.210 -0.906 1.00 0.31 H new ATOM 0 HD22 LEU A 100 -1.107 -3.193 -1.301 1.00 0.31 H new ATOM 0 HD23 LEU A 100 0.232 -2.525 -0.338 1.00 0.31 H new ATOM 1482 N ILE A 101 -4.963 -3.043 2.161 1.00 0.25 N ATOM 1483 CA ILE A 101 -6.283 -3.633 1.990 1.00 0.29 C ATOM 1484 C ILE A 101 -6.697 -3.627 0.522 1.00 0.32 C ATOM 1485 O ILE A 101 -6.438 -2.664 -0.205 1.00 0.32 O ATOM 1486 CB ILE A 101 -7.343 -2.890 2.830 1.00 0.34 C ATOM 1487 CG1 ILE A 101 -8.720 -3.541 2.660 1.00 0.38 C ATOM 1488 CG2 ILE A 101 -7.391 -1.418 2.442 1.00 0.37 C ATOM 1489 CD1 ILE A 101 -9.779 -2.972 3.581 1.00 0.45 C ATOM 0 H ILE A 101 -4.927 -2.037 1.998 1.00 0.25 H new ATOM 0 HA ILE A 101 -6.223 -4.664 2.338 1.00 0.29 H new ATOM 0 HB ILE A 101 -7.062 -2.960 3.881 1.00 0.34 H new ATOM 0 HG12 ILE A 101 -9.045 -3.418 1.627 1.00 0.38 H new ATOM 0 HG13 ILE A 101 -8.631 -4.612 2.841 1.00 0.38 H new ATOM 0 HG21 ILE A 101 -8.143 -0.908 3.043 1.00 0.37 H new ATOM 0 HG22 ILE A 101 -6.416 -0.963 2.618 1.00 0.37 H new ATOM 0 HG23 ILE A 101 -7.648 -1.328 1.387 1.00 0.37 H new ATOM 0 HD11 ILE A 101 -10.727 -3.481 3.404 1.00 0.45 H new ATOM 0 HD12 ILE A 101 -9.476 -3.119 4.618 1.00 0.45 H new ATOM 0 HD13 ILE A 101 -9.897 -1.906 3.385 1.00 0.45 H new ATOM 1501 N ARG A 102 -7.335 -4.711 0.090 1.00 0.39 N ATOM 1502 CA ARG A 102 -7.786 -4.838 -1.292 1.00 0.46 C ATOM 1503 C ARG A 102 -9.261 -5.213 -1.351 1.00 0.60 C ATOM 1504 O ARG A 102 -9.759 -5.956 -0.505 1.00 0.81 O ATOM 1505 CB ARG A 102 -6.954 -5.887 -2.033 1.00 0.70 C ATOM 1506 CG ARG A 102 -5.676 -5.337 -2.646 1.00 1.27 C ATOM 1507 CD ARG A 102 -5.974 -4.390 -3.797 1.00 1.35 C ATOM 1508 NE ARG A 102 -6.817 -5.013 -4.814 1.00 1.49 N ATOM 1509 CZ ARG A 102 -7.708 -4.348 -5.544 1.00 1.87 C ATOM 1510 NH1 ARG A 102 -7.875 -3.044 -5.366 1.00 2.26 N ATOM 1511 NH2 ARG A 102 -8.435 -4.986 -6.452 1.00 2.20 N ATOM 0 H ARG A 102 -7.552 -5.515 0.678 1.00 0.39 H new ATOM 0 HA ARG A 102 -7.654 -3.871 -1.777 1.00 0.46 H new ATOM 0 HB2 ARG A 102 -6.698 -6.689 -1.341 1.00 0.70 H new ATOM 0 HB3 ARG A 102 -7.563 -6.329 -2.822 1.00 0.70 H new ATOM 0 HG2 ARG A 102 -5.101 -4.814 -1.882 1.00 1.27 H new ATOM 0 HG3 ARG A 102 -5.058 -6.161 -3.002 1.00 1.27 H new ATOM 0 HD2 ARG A 102 -6.468 -3.497 -3.413 1.00 1.35 H new ATOM 0 HD3 ARG A 102 -5.038 -4.066 -4.251 1.00 1.35 H new ATOM 0 HE ARG A 102 -6.717 -6.015 -4.974 1.00 1.49 H new ATOM 0 HH11 ARG A 102 -7.319 -2.549 -4.668 1.00 2.26 H new ATOM 0 HH12 ARG A 102 -8.559 -2.536 -5.927 1.00 2.26 H new ATOM 0 HH21 ARG A 102 -8.311 -5.989 -6.592 1.00 2.20 H new ATOM 0 HH22 ARG A 102 -9.118 -4.474 -7.011 1.00 2.20 H new ATOM 1525 N ARG A 103 -9.956 -4.694 -2.358 1.00 0.73 N ATOM 1526 CA ARG A 103 -11.375 -4.974 -2.532 1.00 1.00 C ATOM 1527 C ARG A 103 -11.592 -6.005 -3.635 1.00 1.16 C ATOM 1528 O ARG A 103 -10.901 -5.993 -4.655 1.00 1.23 O ATOM 1529 CB ARG A 103 -12.137 -3.687 -2.858 1.00 1.28 C ATOM 1530 CG ARG A 103 -13.627 -3.898 -3.066 1.00 2.01 C ATOM 1531 CD ARG A 103 -14.348 -2.582 -3.313 1.00 2.24 C ATOM 1532 NE ARG A 103 -13.820 -1.876 -4.479 1.00 2.73 N ATOM 1533 CZ ARG A 103 -14.284 -0.704 -4.903 1.00 3.09 C ATOM 1534 NH1 ARG A 103 -15.283 -0.112 -4.264 1.00 2.90 N ATOM 1535 NH2 ARG A 103 -13.748 -0.122 -5.968 1.00 3.93 N ATOM 0 H ARG A 103 -9.558 -4.077 -3.066 1.00 0.73 H new ATOM 0 HA ARG A 103 -11.758 -5.383 -1.597 1.00 1.00 H new ATOM 0 HB2 ARG A 103 -11.989 -2.972 -2.048 1.00 1.28 H new ATOM 0 HB3 ARG A 103 -11.713 -3.241 -3.758 1.00 1.28 H new ATOM 0 HG2 ARG A 103 -13.786 -4.566 -3.913 1.00 2.01 H new ATOM 0 HG3 ARG A 103 -14.052 -4.388 -2.190 1.00 2.01 H new ATOM 0 HD2 ARG A 103 -15.411 -2.773 -3.456 1.00 2.24 H new ATOM 0 HD3 ARG A 103 -14.254 -1.947 -2.432 1.00 2.24 H new ATOM 0 HE ARG A 103 -13.053 -2.306 -4.996 1.00 2.73 H new ATOM 0 HH11 ARG A 103 -15.698 -0.555 -3.445 1.00 2.90 H new ATOM 0 HH12 ARG A 103 -15.637 0.787 -4.592 1.00 2.90 H new ATOM 0 HH21 ARG A 103 -12.979 -0.573 -6.463 1.00 3.93 H new ATOM 0 HH22 ARG A 103 -14.105 0.777 -6.292 1.00 3.93 H new ATOM 1549 N LEU A 104 -12.557 -6.894 -3.423 1.00 1.32 N ATOM 1550 CA LEU A 104 -12.867 -7.934 -4.395 1.00 1.57 C ATOM 1551 C LEU A 104 -13.969 -7.476 -5.351 1.00 1.89 C ATOM 1552 O LEU A 104 -14.843 -6.697 -4.967 1.00 2.00 O ATOM 1553 CB LEU A 104 -13.292 -9.214 -3.671 1.00 1.68 C ATOM 1554 CG LEU A 104 -12.303 -9.716 -2.614 1.00 1.43 C ATOM 1555 CD1 LEU A 104 -12.883 -10.897 -1.854 1.00 1.46 C ATOM 1556 CD2 LEU A 104 -10.980 -10.097 -3.260 1.00 1.55 C ATOM 0 H LEU A 104 -13.138 -6.914 -2.585 1.00 1.32 H new ATOM 0 HA LEU A 104 -11.971 -8.136 -4.982 1.00 1.57 H new ATOM 0 HB2 LEU A 104 -14.256 -9.040 -3.192 1.00 1.68 H new ATOM 0 HB3 LEU A 104 -13.441 -10.000 -4.411 1.00 1.68 H new ATOM 0 HG LEU A 104 -12.122 -8.908 -1.905 1.00 1.43 H new ATOM 0 HD11 LEU A 104 -12.165 -11.238 -1.108 1.00 1.46 H new ATOM 0 HD12 LEU A 104 -13.805 -10.593 -1.358 1.00 1.46 H new ATOM 0 HD13 LEU A 104 -13.096 -11.708 -2.550 1.00 1.46 H new ATOM 0 HD21 LEU A 104 -10.290 -10.451 -2.494 1.00 1.55 H new ATOM 0 HD22 LEU A 104 -11.147 -10.887 -3.992 1.00 1.55 H new ATOM 0 HD23 LEU A 104 -10.554 -9.226 -3.758 1.00 1.55 H new ATOM 1568 N PRO A 105 -13.944 -7.952 -6.612 1.00 2.13 N ATOM 1569 CA PRO A 105 -14.941 -7.581 -7.622 1.00 2.48 C ATOM 1570 C PRO A 105 -16.241 -8.358 -7.468 1.00 2.69 C ATOM 1571 O PRO A 105 -16.639 -9.117 -8.353 1.00 2.98 O ATOM 1572 CB PRO A 105 -14.246 -7.959 -8.924 1.00 2.64 C ATOM 1573 CG PRO A 105 -13.457 -9.161 -8.552 1.00 2.51 C ATOM 1574 CD PRO A 105 -12.945 -8.893 -7.162 1.00 2.16 C ATOM 0 HA PRO A 105 -15.233 -6.533 -7.555 1.00 2.48 H new ATOM 0 HB2 PRO A 105 -14.964 -8.178 -9.715 1.00 2.64 H new ATOM 0 HB3 PRO A 105 -13.607 -7.154 -9.287 1.00 2.64 H new ATOM 0 HG2 PRO A 105 -14.075 -10.059 -8.576 1.00 2.51 H new ATOM 0 HG3 PRO A 105 -12.634 -9.321 -9.249 1.00 2.51 H new ATOM 0 HD2 PRO A 105 -12.885 -9.807 -6.572 1.00 2.16 H new ATOM 0 HD3 PRO A 105 -11.946 -8.457 -7.177 1.00 2.16 H new ATOM 1582 N LEU A 106 -16.895 -8.162 -6.335 1.00 2.81 N ATOM 1583 CA LEU A 106 -18.156 -8.837 -6.045 1.00 3.01 C ATOM 1584 C LEU A 106 -19.339 -7.904 -6.275 1.00 3.44 C ATOM 1585 O LEU A 106 -19.621 -7.029 -5.456 1.00 3.67 O ATOM 1586 CB LEU A 106 -18.165 -9.348 -4.603 1.00 2.96 C ATOM 1587 CG LEU A 106 -17.044 -10.329 -4.252 1.00 2.78 C ATOM 1588 CD1 LEU A 106 -17.120 -10.721 -2.784 1.00 2.74 C ATOM 1589 CD2 LEU A 106 -17.116 -11.564 -5.138 1.00 3.01 C ATOM 0 H LEU A 106 -16.574 -7.538 -5.595 1.00 2.81 H new ATOM 0 HA LEU A 106 -18.250 -9.685 -6.724 1.00 3.01 H new ATOM 0 HB2 LEU A 106 -18.101 -8.492 -3.931 1.00 2.96 H new ATOM 0 HB3 LEU A 106 -19.123 -9.832 -4.412 1.00 2.96 H new ATOM 0 HG LEU A 106 -16.088 -9.836 -4.429 1.00 2.78 H new ATOM 0 HD11 LEU A 106 -16.316 -11.419 -2.552 1.00 2.74 H new ATOM 0 HD12 LEU A 106 -17.018 -9.830 -2.164 1.00 2.74 H new ATOM 0 HD13 LEU A 106 -18.081 -11.195 -2.583 1.00 2.74 H new ATOM 0 HD21 LEU A 106 -16.311 -12.249 -4.873 1.00 3.01 H new ATOM 0 HD22 LEU A 106 -18.076 -12.059 -4.994 1.00 3.01 H new ATOM 0 HD23 LEU A 106 -17.013 -11.269 -6.182 1.00 3.01 H new ATOM 1601 N LEU A 107 -20.028 -8.096 -7.396 1.00 3.72 N ATOM 1602 CA LEU A 107 -21.183 -7.273 -7.734 1.00 4.24 C ATOM 1603 C LEU A 107 -22.436 -7.780 -7.026 1.00 4.27 C ATOM 1604 O LEU A 107 -23.034 -8.775 -7.436 1.00 4.13 O ATOM 1605 CB LEU A 107 -21.410 -7.262 -9.251 1.00 4.67 C ATOM 1606 CG LEU A 107 -20.469 -6.361 -10.058 1.00 4.91 C ATOM 1607 CD1 LEU A 107 -20.651 -4.908 -9.652 1.00 5.59 C ATOM 1608 CD2 LEU A 107 -19.019 -6.790 -9.880 1.00 4.58 C ATOM 0 H LEU A 107 -19.806 -8.814 -8.085 1.00 3.72 H new ATOM 0 HA LEU A 107 -20.981 -6.256 -7.399 1.00 4.24 H new ATOM 0 HB2 LEU A 107 -21.312 -8.282 -9.622 1.00 4.67 H new ATOM 0 HB3 LEU A 107 -22.436 -6.949 -9.444 1.00 4.67 H new ATOM 0 HG LEU A 107 -20.722 -6.461 -11.113 1.00 4.91 H new ATOM 0 HD11 LEU A 107 -19.976 -4.280 -10.234 1.00 5.59 H new ATOM 0 HD12 LEU A 107 -21.681 -4.604 -9.839 1.00 5.59 H new ATOM 0 HD13 LEU A 107 -20.427 -4.796 -8.591 1.00 5.59 H new ATOM 0 HD21 LEU A 107 -18.372 -6.135 -10.463 1.00 4.58 H new ATOM 0 HD22 LEU A 107 -18.747 -6.725 -8.826 1.00 4.58 H new ATOM 0 HD23 LEU A 107 -18.899 -7.818 -10.223 1.00 4.58 H new ATOM 1620 N GLU A 108 -22.825 -7.089 -5.958 1.00 4.57 N ATOM 1621 CA GLU A 108 -24.007 -7.468 -5.191 1.00 4.71 C ATOM 1622 C GLU A 108 -25.012 -6.321 -5.138 1.00 5.10 C ATOM 1623 O GLU A 108 -24.891 -5.469 -4.233 1.00 5.66 O ATOM 1624 CB GLU A 108 -23.608 -7.879 -3.772 1.00 5.08 C ATOM 1625 CG GLU A 108 -22.639 -9.048 -3.725 1.00 5.36 C ATOM 1626 CD GLU A 108 -22.224 -9.403 -2.311 1.00 5.66 C ATOM 1627 OE1 GLU A 108 -21.233 -8.823 -1.820 1.00 6.00 O ATOM 1628 OE2 GLU A 108 -22.890 -10.260 -1.693 1.00 5.89 O ATOM 1629 OXT GLU A 108 -25.912 -6.286 -6.004 1.00 5.19 O ATOM 0 H GLU A 108 -22.339 -6.265 -5.605 1.00 4.57 H new ATOM 0 HA GLU A 108 -24.477 -8.316 -5.689 1.00 4.71 H new ATOM 0 HB2 GLU A 108 -23.157 -7.024 -3.269 1.00 5.08 H new ATOM 0 HB3 GLU A 108 -24.506 -8.140 -3.213 1.00 5.08 H new ATOM 0 HG2 GLU A 108 -23.101 -9.917 -4.194 1.00 5.36 H new ATOM 0 HG3 GLU A 108 -21.752 -8.804 -4.310 1.00 5.36 H new TER 1636 GLU A 108